==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUL-07 2QPD . COMPND 2 MOLECULE: CYTOCHROME C OXIDASE SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR B.LIU,V.M.LUNA,Y.CHEN,C.D.STOUT,J.A.FEE . 756 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 607 80.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 4.4 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 . 1 0.1 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 . 120 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 367 48.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.9 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 5 1 3 2 2 0 0 0 1 1 1 1 1 0 1 0 1 0 1 2 0 0 1 1 0 0 4 RESIDUES PER ALPHA HELIX . 2 0 1 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 PARALLEL BRIDGES PER LADDER . 3 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 6 A S 0 0 144 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 21.9 -6.7 -11.9 15.4 2 7 A E - 0 0 56 1,-0.1 6,-0.0 4,-0.0 3,-0.0 -0.989 360.0-146.8-140.9 126.4 -9.6 -11.5 12.8 3 8 A I S S+ 0 0 186 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.764 104.2 53.4 -62.0 -28.2 -11.7 -14.3 11.0 4 9 A S S S- 0 0 31 -3,-0.0 3,-0.3 1,-0.0 -1,-0.2 -0.964 90.6-145.3-106.1 112.6 -11.6 -11.9 8.0 5 10 A R S > S+ 0 0 215 -2,-0.5 4,-0.6 1,-0.2 3,-0.4 0.254 70.3 98.8 -76.9 16.6 -8.0 -11.1 7.5 6 11 A V H >> + 0 0 34 1,-0.2 2,-6.2 2,-0.2 3,-2.0 0.973 64.8 57.8 -58.1 -89.3 -8.6 -7.5 6.4 7 12 A Y H 34 S+ 0 0 72 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.031 101.1 65.2 -58.7 50.6 -8.0 -5.1 9.2 8 13 A E H 34 S+ 0 0 91 -2,-6.2 -1,-0.3 -3,-0.4 -2,-0.2 0.521 120.4 2.3-140.5 -49.2 -4.5 -6.3 9.6 9 14 A A H << S+ 0 0 77 -3,-2.0 -2,-0.2 -4,-0.6 -3,-0.1 0.332 142.2 22.0-134.1 10.7 -2.6 -5.4 6.4 10 15 A Y S < S+ 0 0 59 -4,-1.1 3,-0.2 -5,-0.1 -3,-0.2 -0.133 73.6 137.0-166.1 70.1 -5.2 -3.5 4.4 11 16 A P >> + 0 0 15 0, 0.0 3,-2.3 0, 0.0 4,-0.7 0.099 28.2 111.3-107.2 15.2 -8.0 -2.0 6.6 12 17 A E H 3> S+ 0 0 0 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.529 82.5 67.8 -66.7 -1.2 -8.9 1.6 5.6 13 18 A K H 3> S+ 0 0 17 -3,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.681 83.4 70.0 -78.7 -29.6 -12.0 -0.3 4.6 14 19 A K H <4 S+ 0 0 87 -3,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.966 109.0 34.4 -50.6 -51.0 -12.7 -0.9 8.3 15 20 A A H >X S+ 0 0 0 -4,-0.7 4,-3.2 2,-0.2 3,-0.7 0.873 115.4 51.8 -79.3 -42.5 -13.5 2.9 8.7 16 21 A T H 3X S+ 0 0 0 -4,-1.1 4,-1.5 1,-0.3 -1,-0.2 0.875 104.2 59.3 -67.2 -37.2 -15.2 3.6 5.3 17 22 A L H 3X S+ 0 0 34 -4,-2.2 4,-1.8 2,-0.1 -1,-0.3 0.852 114.4 39.7 -50.7 -30.4 -17.4 0.8 5.9 18 23 A Y H <> S+ 0 0 111 -3,-0.7 4,-2.1 -4,-0.5 5,-0.4 0.954 107.2 53.2 -92.5 -56.3 -18.4 2.7 9.1 19 24 A F H X S+ 0 0 1 -4,-3.2 4,-1.7 1,-0.2 -3,-0.2 0.901 117.4 51.5 -36.8 -38.7 -18.6 6.3 8.2 20 25 A L H X S+ 0 0 12 -4,-1.5 4,-2.5 -5,-0.4 -2,-0.2 0.961 105.5 45.5 -70.4 -56.4 -20.9 4.7 5.6 21 26 A V H X S+ 0 0 37 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.874 114.8 46.3 -67.0 -42.2 -23.3 2.6 7.4 22 27 A L H X S+ 0 0 17 -4,-2.1 4,-2.4 2,-0.3 5,-0.2 0.984 107.9 57.2 -63.4 -55.3 -24.1 5.1 10.1 23 28 A G H X S+ 0 0 3 -4,-1.7 4,-2.3 -5,-0.4 -2,-0.2 0.906 112.4 47.2 -27.0 -60.2 -24.5 7.8 7.3 24 29 A F H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 -2,-0.3 0.859 108.4 48.3 -57.0 -51.3 -27.0 5.3 6.1 25 30 A L H >X S+ 0 0 65 -4,-2.9 3,-3.7 2,-0.2 4,-1.5 0.993 108.8 56.8 -54.8 -65.2 -28.9 4.6 9.2 26 31 A A H 3X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.3 5,-0.4 0.781 108.0 49.6 -18.3 -72.1 -29.1 8.3 9.7 27 32 A L H 3X S+ 0 0 10 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.3 0.747 109.3 50.4 -42.9 -40.2 -30.7 8.4 6.4 28 33 A I H < S+ 0 0 70 -4,-1.5 3,-2.3 1,-0.2 4,-0.4 0.970 115.7 44.9 -46.9 -69.3 -34.4 7.2 10.5 30 35 A G H >X S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.3 4,-0.6 0.737 111.6 52.4 -56.5 -30.7 -34.8 10.8 9.3 31 36 A S H 3< S+ 0 0 15 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.615 85.2 88.3 -82.0 -13.2 -36.5 9.9 6.1 32 37 A L T << S+ 0 0 75 -3,-2.3 4,-0.3 -4,-0.9 -1,-0.2 0.864 94.8 40.5 -49.2 -39.0 -38.9 7.9 8.2 33 38 A F T X> S+ 0 0 2 -3,-0.7 4,-1.4 -4,-0.4 3,-1.3 0.776 90.7 95.1 -78.3 -32.3 -41.0 11.1 8.4 34 39 A G H 3X S+ 0 0 18 -4,-0.6 4,-1.5 1,-0.3 -2,-0.2 0.799 87.1 43.5 -18.8 -63.7 -40.4 12.0 4.8 35 40 A P H 34 S+ 0 0 12 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.804 112.6 52.2 -76.4 -25.1 -43.6 10.5 3.6 36 41 A F H X> S+ 0 0 25 -3,-1.3 3,-5.4 -4,-0.3 4,-2.6 0.994 108.1 50.0 -55.1 -71.6 -45.6 11.9 6.5 37 42 A Q H 3X S+ 0 0 16 -4,-1.4 4,-1.8 1,-0.3 -1,-0.2 0.771 108.7 60.8 -34.6 -29.2 -44.2 15.4 5.7 38 43 A A H 3< S+ 0 0 8 -4,-1.5 431,-0.3 -5,-0.5 -1,-0.3 0.597 106.5 38.7 -81.8 -14.3 -45.4 14.5 2.2 39 44 A L H <>>S+ 0 0 30 -3,-5.4 4,-8.8 -4,-0.2 5,-2.9 0.686 105.9 66.2-104.5 -27.6 -49.0 14.0 3.0 40 45 A N H <5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.975 115.0 32.0 -53.0 -52.5 -48.9 17.0 5.3 41 46 A Y T <5S+ 0 0 27 -4,-1.8 -1,-0.3 -5,-0.3 425,-0.2 0.715 117.4 57.0 -71.9 -19.1 -48.2 18.8 2.0 42 47 A G T 45S- 0 0 4 -6,-0.4 -2,-0.3 423,-0.3 424,-0.2 0.940 123.0-115.9 -66.9 -43.9 -50.4 16.1 0.5 43 48 A N T <5S+ 0 0 49 -4,-8.8 2,-0.5 1,-0.4 -3,-0.3 0.617 75.1 123.4 107.8 43.5 -53.0 17.3 3.0 44 49 A V < - 0 0 63 -5,-2.9 2,-2.1 -8,-0.2 -1,-0.4 -0.994 61.9-133.1-133.4 130.3 -53.3 14.3 5.0 45 50 A D + 0 0 57 -2,-0.5 2,-0.7 1,-0.2 4,-0.4 -0.380 38.1 160.8 -83.8 67.9 -52.7 14.4 8.6 46 51 A A > + 0 0 13 -2,-2.1 4,-1.2 -10,-0.2 -1,-0.2 0.145 51.8 89.5 -76.1 26.1 -50.5 11.4 9.0 47 52 A Y H > S+ 0 0 14 -2,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.892 74.8 58.4 -94.4 -33.8 -49.1 12.5 12.3 48 53 A P H > S+ 0 0 84 0, 0.0 4,-2.3 0, 0.0 -2,-0.1 0.937 115.4 40.7 -57.6 -50.5 -51.7 10.9 14.8 49 54 A L H > S+ 0 0 60 -4,-0.4 4,-1.9 2,-0.2 5,-0.2 0.975 115.3 48.7 -60.0 -53.2 -50.7 7.7 13.4 50 55 A L H X S+ 0 0 2 -4,-1.2 4,-1.5 1,-0.3 -1,-0.2 0.718 108.4 58.3 -65.8 -17.6 -47.0 8.5 13.2 51 56 A K H < S+ 0 0 109 -4,-2.4 6,-0.4 2,-0.2 -1,-0.3 0.929 105.6 47.7 -74.6 -44.9 -47.4 9.7 16.7 52 57 A R H < S+ 0 0 183 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.982 110.5 50.6 -55.1 -66.2 -48.6 6.2 17.7 53 58 A L H < S+ 0 0 94 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.825 123.1 32.8 -37.5 -50.5 -45.7 4.4 15.8 54 59 A L S >< S- 0 0 56 -4,-1.5 3,-1.2 -5,-0.2 -1,-0.2 -0.933 71.3-171.5-111.8 104.6 -43.2 6.5 17.5 55 60 A P T 3 S+ 0 0 95 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.993 82.1 65.3 -51.1 -59.0 -44.5 7.5 21.0 56 61 A F T 3 S+ 0 0 69 -3,-0.1 2,-0.7 -4,-0.1 -5,-0.1 0.390 72.1 113.8 -45.9 -4.8 -41.6 10.0 21.4 57 62 A V < + 0 0 4 -3,-1.2 3,-0.1 -2,-0.4 63,-0.1 -0.635 34.3 170.3 -82.2 112.9 -42.8 12.4 18.5 58 63 A Q + 0 0 111 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.980 57.8 13.2 -79.8 -68.5 -43.8 15.7 19.9 59 64 A S > - 0 0 13 1,-0.1 4,-2.1 -8,-0.0 3,-0.4 -0.867 64.2-121.4-118.9 140.0 -44.4 18.1 17.0 60 65 A Y H > S+ 0 0 9 -2,-0.3 4,-2.2 1,-0.2 3,-0.3 0.908 121.5 54.3 -24.9 -53.9 -44.7 17.9 13.2 61 66 A Y H > S+ 0 0 3 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.868 99.0 58.7 -62.4 -42.6 -41.7 20.2 13.3 62 67 A Q H > S+ 0 0 4 -3,-0.4 4,-2.5 2,-0.2 -1,-0.3 0.881 107.5 48.1 -55.6 -45.0 -39.7 17.8 15.5 63 68 A G H X S+ 0 0 0 -4,-2.1 4,-3.1 -3,-0.3 5,-0.3 0.997 113.0 46.8 -52.3 -64.3 -40.1 15.2 12.8 64 69 A L H X S+ 0 0 25 -4,-2.2 4,-1.9 1,-0.2 64,-0.3 0.767 110.1 55.4 -51.6 -29.5 -39.0 17.8 10.2 65 70 A T H X S+ 0 0 2 -4,-2.7 4,-3.2 -5,-0.2 5,-0.3 0.976 115.8 35.1 -70.2 -54.0 -36.1 18.7 12.4 66 71 A L H X S+ 0 0 7 -4,-2.5 4,-3.2 2,-0.2 5,-0.5 0.998 118.4 53.3 -50.4 -69.3 -34.8 15.1 12.7 67 72 A H H X S+ 0 0 28 -4,-3.1 4,-0.7 1,-0.2 -3,-0.2 0.801 118.0 36.3 -33.1 -50.5 -35.8 14.4 9.1 68 73 A G H X S+ 0 0 14 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.909 122.2 42.2 -76.0 -43.8 -33.9 17.5 7.9 69 74 A V H X>S+ 0 0 18 -4,-3.2 5,-2.4 -5,-0.2 4,-1.0 0.918 114.6 50.0 -72.5 -45.7 -30.9 17.3 10.3 70 75 A L H <>S+ 0 0 18 -4,-3.2 5,-2.6 -5,-0.3 -1,-0.2 0.750 121.4 31.5 -49.9 -37.6 -30.4 13.5 10.1 71 76 A N H <5S+ 0 0 24 -4,-0.7 -1,-0.2 -5,-0.5 -2,-0.2 0.651 125.3 34.4-109.5 -23.1 -30.4 13.3 6.3 72 77 A A H <5S+ 0 0 16 -4,-1.4 -3,-0.2 3,-0.2 -2,-0.1 0.462 132.1 24.4-122.4 -10.9 -28.9 16.6 5.0 73 78 A I T X5S+ 0 0 37 -4,-1.0 4,-1.2 -5,-0.2 5,-0.2 0.555 132.9 30.7-113.9 -75.8 -26.4 17.3 7.7 74 79 A V H >> S+ 0 0 1 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.757 113.8 51.1 -76.0 -20.6 -24.6 13.8 3.6 77 82 A Q H S+ 0 0 0 -4,-1.1 5,-0.7 1,-0.3 4,-0.2 0.996 111.2 51.1 -68.1 -63.9 -18.1 12.7 2.0 81 86 A Q H <5S+ 0 0 0 -4,-1.7 -1,-0.3 3,-0.2 -2,-0.2 0.682 117.1 44.7 -33.6 -30.0 -15.9 11.6 4.9 82 87 A A H X5S+ 0 0 1 -4,-1.1 4,-2.6 -5,-0.2 -2,-0.2 0.933 124.6 27.9 -88.9 -58.6 -16.5 8.0 3.4 83 88 A I H X5S+ 0 0 2 -4,-3.2 4,-2.0 2,-0.2 -3,-0.2 0.981 120.9 50.1 -59.2 -84.3 -16.0 8.6 -0.4 84 89 A M H 45S+ 0 0 0 1,-0.2 -3,-0.2 -5,-0.2 -1,-0.2 0.595 121.2 41.3 -45.7 -5.5 -13.6 11.6 -0.3 85 90 A V H > S+ 0 0 1 0, 0.0 4,-1.0 0, 0.0 -2,-0.2 0.784 112.1 49.7 -34.5 -50.0 -8.1 9.2 -2.8 89 94 A A H >< S+ 0 0 1 -4,-1.3 3,-4.2 2,-0.2 4,-0.2 0.973 110.4 48.4 -47.7 -82.8 -6.1 6.5 -0.9 90 95 A R H >< S+ 0 0 31 -4,-0.8 3,-1.4 2,-0.3 -1,-0.2 0.682 102.4 60.1 -26.5 -52.7 -7.0 3.6 -3.3 91 96 A E H 3< S+ 0 0 48 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.897 121.5 30.4 -43.9 -39.4 -6.2 5.7 -6.4 92 97 A L T << S- 0 0 17 -3,-4.2 -2,-0.3 -4,-1.0 -1,-0.3 0.229 103.8-136.2-108.7 8.6 -2.8 5.7 -4.7 93 98 A N < + 0 0 115 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.2 0.845 62.3 128.7 33.4 57.9 -3.1 2.3 -3.0 94 99 A M - 0 0 48 -6,-0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.930 62.7-106.2-135.2 154.1 -1.7 3.8 0.2 95 100 A R - 0 0 84 -2,-0.3 3,-0.1 -6,-0.1 -85,-0.0 -0.800 24.0-130.4-100.8 123.1 -3.1 3.7 3.7 96 101 A P - 0 0 1 0, 0.0 62,-0.1 0, 0.0 61,-0.1 -0.346 44.4 -91.0 -62.6 138.0 -4.8 6.7 5.4 97 102 A N > - 0 0 67 60,-0.3 4,-1.0 1,-0.1 64,-0.1 -0.309 43.4-157.6 -49.3 129.6 -3.5 7.3 8.9 98 103 A M H > S+ 0 0 38 2,-0.2 4,-1.6 3,-0.1 5,-0.2 0.752 79.2 64.6 -97.8 -21.2 -5.9 5.2 11.0 99 104 A G H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.987 111.5 40.9 -51.1 -56.8 -5.6 6.8 14.5 100 105 A L H > S+ 0 0 45 1,-0.2 4,-3.8 2,-0.2 -2,-0.2 0.925 108.7 60.6 -57.7 -49.6 -7.1 10.0 13.0 101 106 A M H X S+ 0 0 0 -4,-1.0 4,-3.0 1,-0.3 -1,-0.2 0.801 112.0 37.5 -52.6 -39.1 -9.7 8.2 10.9 102 107 A W H X S+ 0 0 41 -4,-1.6 4,-2.7 -3,-0.4 5,-0.4 0.825 114.2 55.0 -83.7 -30.5 -11.3 6.5 13.8 103 108 A L H X S+ 0 0 105 -4,-2.1 4,-3.9 -5,-0.2 -2,-0.2 0.979 112.2 47.1 -54.1 -58.7 -10.8 9.8 15.9 104 109 A S H X S+ 0 0 0 -4,-3.8 4,-1.7 2,-0.2 -2,-0.2 0.938 115.8 44.2 -33.8 -73.0 -12.7 11.3 12.9 105 110 A W H >X S+ 0 0 17 -4,-3.0 4,-1.6 1,-0.2 3,-1.5 0.955 117.1 42.2 -44.4 -77.5 -15.3 8.5 13.1 106 111 A W H 3X S+ 0 0 143 -4,-2.7 4,-3.3 1,-0.3 5,-0.3 0.827 108.7 62.1 -39.9 -47.4 -15.9 8.4 16.8 107 112 A M H 3X S+ 0 0 46 -4,-3.9 4,-2.7 -5,-0.4 40,-0.4 0.874 107.3 43.7 -42.7 -52.1 -15.8 12.3 16.9 108 113 A A H S+ 0 0 9 0, 0.0 5,-1.9 0, 0.0 4,-0.5 0.954 111.9 53.2 -37.5 -47.3 -31.8 16.9 22.8 119 124 A L H ><5S+ 0 0 7 -4,-0.7 3,-0.5 1,-0.3 5,-0.2 0.731 102.1 46.5 -70.8 -41.6 -33.8 16.3 19.7 120 125 A L H 3<5S+ 0 0 65 -4,-1.4 -1,-0.3 1,-0.2 -62,-0.1 0.779 111.3 56.9 -76.3 -20.5 -35.9 13.1 20.2 121 126 A A T 3<5S- 0 0 64 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.725 118.7-119.0 -73.5 -20.9 -36.8 14.6 23.6 122 127 A N T < 5S+ 0 0 12 -3,-0.5 -3,-0.2 -4,-0.5 3,-0.2 0.780 75.2 130.2 82.3 39.2 -38.1 17.7 21.6 123 128 A E S >S- 0 0 2 -2,-3.0 5,-0.6 -64,-0.1 4,-0.6 0.234 74.6-117.9-119.4 8.0 -35.3 24.9 15.8 127 132 A L T >45 - 0 0 1 -3,-0.2 3,-3.9 2,-0.2 -62,-0.1 0.456 41.7 -64.1 69.6 153.2 -35.0 23.2 12.4 128 133 A Y T 345S+ 0 0 50 1,-0.3 -1,-0.2 -64,-0.3 -63,-0.1 0.726 137.0 52.0 -54.5 -22.5 -31.7 22.3 10.6 129 134 A T T 345S- 0 0 2 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.674 89.8-154.0 -76.8 -16.9 -30.8 26.1 10.3 130 135 A F T <<5 - 0 0 13 -3,-3.9 -3,-0.2 -4,-0.6 -2,-0.1 0.848 15.5-154.1 36.2 51.2 -31.4 26.7 14.1 131 136 A Y > < - 0 0 11 -5,-0.6 3,-3.0 -4,-0.1 538,-0.2 -0.392 20.5-110.2 -53.8 101.9 -32.2 30.4 13.4 132 137 A P T 3 S+ 0 0 0 0, 0.0 88,-0.1 0, 0.0 87,-0.1 -0.665 103.6 50.1 -66.9 132.5 -31.4 32.4 16.4 133 138 A P T 3 S+ 0 0 0 0, 0.0 421,-1.7 0, 0.0 2,-0.5 -0.918 92.8 87.1 -88.4 18.8 -33.2 33.6 18.2 134 139 A L B < S-a 554 0A 4 -3,-3.0 2,-0.9 419,-0.2 421,-0.2 -0.626 79.2-135.7 -77.6 128.2 -35.2 30.3 18.4 135 140 A K - 0 0 53 419,-3.0 -10,-0.1 -2,-0.5 3,-0.1 -0.674 25.2-177.4-107.4 100.5 -33.4 28.6 21.2 136 141 A G - 0 0 3 -2,-0.9 -12,-0.3 -12,-0.2 5,-0.1 -0.310 40.6 -77.0 -81.3 160.3 -32.3 24.9 21.2 137 142 A H >> - 0 0 61 -14,-2.2 4,-0.9 1,-0.1 3,-0.6 0.066 37.4-119.0 -40.9 156.5 -30.7 22.8 24.0 138 143 A W H >> S+ 0 0 119 69,-0.3 4,-3.0 1,-0.2 3,-0.6 0.920 111.5 60.3 -68.2 -38.1 -26.9 23.2 24.6 139 144 A A H 3> S+ 0 0 12 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.473 100.0 58.4 -70.7 -6.8 -26.3 19.5 23.7 140 145 A F H <> S+ 0 0 9 -3,-0.6 4,-1.2 2,-0.2 -1,-0.3 0.840 111.3 36.2 -87.4 -45.9 -27.7 20.1 20.3 141 146 A Y H X S+ 0 0 54 -4,-3.0 4,-2.0 1,-0.2 3,-0.9 0.956 107.6 52.6 -55.9 -56.2 -22.5 21.0 21.1 143 148 A G H 3X S+ 0 0 0 -4,-1.0 4,-1.5 -29,-0.3 -28,-0.3 0.800 115.3 42.3 -48.3 -37.9 -23.2 17.6 19.5 144 149 A A H 3X S+ 0 0 31 -4,-1.2 4,-1.4 -3,-0.2 -1,-0.3 0.601 106.1 59.0 -87.9 -19.0 -23.0 19.3 16.0 145 150 A S H X S+ 0 0 21 -4,-1.4 3,-3.3 1,-0.2 4,-0.9 0.956 106.8 55.9 -67.5 -54.0 -18.6 18.8 12.2 149 154 A L H >X S+ 0 0 63 -4,-2.2 3,-3.3 1,-0.3 4,-1.1 0.922 94.1 77.6 -39.5 -41.9 -15.2 19.5 13.5 150 155 A S H 3X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.3 -1,-0.3 0.443 92.0 48.3 -52.4 -6.4 -14.8 15.8 12.9 151 156 A T H <> S+ 0 0 0 -3,-3.3 4,-1.4 2,-0.2 -1,-0.3 0.536 95.9 70.3 -99.6 -23.1 -14.4 16.5 9.1 152 157 A W H << S+ 0 0 93 -3,-3.3 3,-0.3 -4,-0.9 4,-0.3 0.904 101.3 48.6 -51.0 -39.6 -11.9 19.1 10.1 153 158 A V H >X S+ 0 0 30 -4,-1.1 3,-3.1 1,-0.2 4,-1.4 0.993 108.1 50.9 -57.1 -65.8 -10.0 15.9 10.9 154 159 A S H 3X S+ 0 0 0 -4,-0.8 4,-1.1 1,-0.3 -1,-0.2 0.556 94.1 75.1 -55.2 -14.2 -10.7 14.3 7.5 155 160 A I H 3< S+ 0 0 19 -4,-1.4 -1,-0.3 -3,-0.3 4,-0.3 0.766 109.9 29.4 -61.3 -23.9 -9.4 17.5 5.8 156 161 A Y H <> S+ 0 0 140 -3,-3.1 4,-4.7 -4,-0.3 -2,-0.2 0.790 103.3 70.3-116.6 -40.3 -6.0 16.3 6.8 157 162 A I H X S+ 0 0 0 -4,-1.4 4,-1.7 1,-0.3 -60,-0.3 0.929 115.7 36.6 -41.5 -44.7 -6.2 12.5 6.8 158 163 A V H X S+ 0 0 3 -4,-1.1 4,-1.7 2,-0.2 -1,-0.3 0.811 114.0 53.0 -79.8 -32.7 -6.5 13.2 3.1 159 164 A L H > S+ 0 0 48 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.808 105.5 58.4 -76.3 -21.5 -4.1 16.1 3.1 160 165 A D H X S+ 0 0 29 -4,-4.7 4,-2.0 2,-0.2 -2,-0.2 0.997 104.5 49.2 -57.9 -64.4 -1.8 13.6 4.8 161 166 A L H X S+ 0 0 4 -4,-1.7 4,-1.5 -5,-0.2 5,-0.2 0.715 112.9 47.5 -54.5 -28.0 -2.1 11.3 1.7 162 167 A W H X S+ 0 0 49 -4,-1.7 4,-3.1 -6,-0.2 5,-0.4 0.976 111.2 50.3 -64.7 -69.3 -1.4 14.3 -0.7 163 168 A R H X S+ 0 0 169 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.792 118.7 40.2 -21.0 -52.0 1.7 15.4 1.4 164 169 A R H X S+ 0 0 81 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.929 117.9 40.8 -85.6 -60.1 3.0 11.8 1.4 165 170 A W H X S+ 0 0 14 -4,-1.5 4,-0.7 -5,-0.2 -2,-0.2 0.913 115.3 54.2 -49.2 -50.1 2.3 10.5 -2.2 166 171 A K H >< S+ 0 0 51 -4,-3.1 3,-0.5 -5,-0.2 6,-0.3 0.889 109.4 46.8 -63.5 -39.5 3.3 13.9 -3.7 167 172 A A H 3< S+ 0 0 56 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 0.894 117.9 39.2 -70.3 -42.4 6.8 13.9 -2.0 168 173 A A H 3< S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.270 121.1 44.4 -94.8 10.4 7.8 10.3 -2.8 169 174 A N S << S- 0 0 65 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 -0.063 95.8-175.8-127.4 37.4 6.3 10.5 -6.4 170 175 A P + 0 0 98 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.034 56.7 17.5 -82.2 131.4 7.8 14.0 -7.0 171 176 A G S S+ 0 0 81 1,-0.4 2,-0.3 -5,-0.2 -4,-0.1 0.750 101.3 122.0 78.4 33.7 7.3 16.2 -10.1 172 177 A K - 0 0 107 -6,-0.3 -1,-0.4 3,-0.0 2,-0.3 -0.999 67.1-114.4-132.7 137.9 4.3 14.0 -10.8 173 178 A V - 0 0 38 -2,-0.3 6,-0.1 1,-0.1 3,-0.1 -0.514 30.7-111.6 -81.0 123.8 0.7 15.1 -11.2 174 179 A T - 0 0 0 -2,-0.3 5,-0.2 1,-0.1 -1,-0.1 -0.292 40.0-116.9 -56.0 117.8 -1.9 14.0 -8.6 175 180 A P >> - 0 0 40 0, 0.0 3,-2.6 0, 0.0 4,-1.3 -0.295 40.1 -89.7 -66.0 150.0 -4.2 11.6 -10.5 176 181 A L H >> S+ 0 0 16 1,-0.3 4,-1.8 2,-0.2 3,-0.7 0.657 118.6 52.1 -22.1 -68.5 -7.7 13.0 -10.6 177 182 A V H 3> S+ 0 0 2 1,-0.3 4,-1.3 2,-0.3 -1,-0.3 0.554 115.7 41.0 -63.7 -14.3 -9.4 11.6 -7.5 178 183 A T H <> S+ 0 0 0 -3,-2.6 4,-0.9 2,-0.2 -1,-0.3 0.645 115.7 50.1-103.3 -18.7 -6.8 12.8 -5.1 179 184 A Y H X S+ 0 0 18 -4,-1.9 3,-1.6 -5,-0.3 4,-1.4 0.995 110.9 40.9 -68.2 -68.5 -9.8 22.4 0.8 187 192 A M H 3X S+ 0 0 1 -4,-4.3 4,-1.7 1,-0.3 -2,-0.2 0.918 112.1 60.9 -44.7 -44.8 -12.6 24.5 -0.4 188 193 A W H 3X S+ 0 0 7 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.3 0.790 98.7 57.2 -58.2 -29.5 -14.7 22.8 2.4 189 194 A F H < S+ 0 0 13 -4,-1.4 3,-1.1 2,-0.2 4,-0.4 0.899 116.9 44.4 -41.6 -56.9 -12.9 27.9 3.8 191 196 A A H >< S+ 0 0 0 -4,-1.7 3,-2.8 1,-0.2 2,-0.5 0.977 100.1 69.0 -39.6 -80.5 -16.6 27.3 4.0 192 197 A S H 3X S+ 0 0 3 -4,-2.7 4,-1.3 1,-0.3 -1,-0.2 0.459 87.4 68.6 -29.5 -16.4 -16.5 25.5 7.3 193 198 A L H S+ 0 0 0 -3,-2.8 4,-1.9 -4,-0.4 -2,-0.1 0.904 112.6 27.3 -54.0 -65.4 -18.9 30.3 8.6 195 200 A L H > S+ 0 0 39 28,-0.3 4,-2.2 2,-0.2 3,-0.5 0.969 117.2 62.2 -54.7 -58.3 -20.9 28.0 10.8 196 201 A V H X S+ 0 0 20 -4,-1.3 4,-2.6 1,-0.3 -2,-0.2 0.829 106.8 44.8 -43.1 -54.9 -17.8 27.3 13.0 197 202 A L H X>S+ 0 0 56 -4,-3.6 4,-2.3 1,-0.2 5,-0.7 0.904 110.5 53.8 -44.8 -56.8 -17.6 31.0 14.0 198 203 A E H X>S+ 0 0 0 -4,-1.9 5,-3.6 -3,-0.5 4,-1.2 0.876 114.2 43.8 -52.1 -40.0 -21.4 31.3 14.6 199 204 A A H <>S+ 0 0 5 -4,-2.2 5,-3.5 3,-0.2 -2,-0.2 0.993 120.5 36.7 -67.0 -66.5 -21.1 28.2 17.0 200 205 A V H <5S+ 0 0 97 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.967 128.8 35.8 -48.7 -63.0 -17.8 29.3 19.0 201 206 A L H <5S- 0 0 94 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 0.812 139.8 -3.2 -63.9 -35.8 -18.7 33.0 19.0 202 207 A F T X>S+ 0 0 35 0, 0.0 5,-2.3 0, 0.0 4,-0.8 0.999 115.5 53.9 -54.8 -62.4 -22.0 30.7 24.9 206 211 A W H <5S+ 0 0 2 -4,-1.7 3,-0.4 4,-0.2 -2,-0.2 0.784 115.7 35.7 -36.5 -52.7 -25.7 31.6 24.3 207 212 A S H <5S+ 0 0 18 -4,-1.6 -69,-0.3 -5,-0.3 -1,-0.2 0.954 107.3 61.4 -78.5 -55.5 -27.1 28.1 24.9 208 213 A F H <5S- 0 0 97 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.508 126.4 -93.3 -38.7 -18.6 -24.7 26.7 27.7 209 214 A G T <5S+ 0 0 49 -4,-0.8 -3,-0.2 -3,-0.4 -1,-0.1 0.301 95.3 117.9 112.0 4.6 -26.1 29.7 29.9 210 215 A L S - 0 0 0 -2,-0.4 4,-1.4 335,-0.2 3,-0.2 -0.687 25.7-144.4 -70.3 118.3 -28.1 39.2 17.1 216 221 A P H > S+ 0 0 1 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.628 88.2 62.4 -59.5 -26.6 -30.2 37.3 14.5 217 222 A L H >> S+ 0 0 1 2,-0.2 3,-0.8 1,-0.2 4,-0.8 0.978 109.7 32.7 -77.7 -58.6 -28.6 39.0 11.6 218 223 A V H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.4 0.708 107.6 75.8 -70.9 -16.6 -25.0 37.9 11.8 219 224 A A H 3X S+ 0 0 0 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.947 109.5 27.4 -46.0 -47.0 -26.4 34.7 13.2 220 225 A R H X S+ 0 0 21 -4,-1.2 4,-1.7 -5,-0.4 3,-0.6 0.972 113.2 40.0 -54.6 -58.9 -24.7 30.7 9.4 224 229 A W H 3X S+ 0 0 19 -4,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.403 92.8 86.1 -74.5 -9.3 -25.1 30.9 5.6 225 230 A W H 3< S+ 0 0 26 -4,-0.7 3,-0.4 -3,-0.5 49,-0.3 0.986 114.1 15.6 -41.7 -66.3 -21.4 31.5 5.0 226 231 A T H X S+ 0 0 7 -4,-0.7 3,-2.9 -3,-0.4 4,-0.8 0.906 110.8 44.4 -86.6 -72.3 -24.4 27.2 0.9 229 234 A P H 3> S+ 0 0 0 0, 0.0 4,-3.7 0, 0.0 5,-0.3 0.857 97.6 78.5 -30.2 -44.7 -21.3 25.3 -0.1 230 235 A I H 3X S+ 0 0 27 -4,-2.3 4,-2.2 2,-0.2 -3,-0.1 0.754 93.8 49.3 -56.0 -17.0 -22.5 22.6 2.3 231 236 A V H <> S+ 0 0 37 -3,-2.9 4,-2.5 2,-0.2 5,-0.3 0.968 111.8 46.1 -75.4 -63.8 -24.8 21.6 -0.5 232 237 A Y H X S+ 0 0 36 -4,-0.8 4,-1.5 1,-0.2 -2,-0.2 0.818 111.6 54.6 -38.9 -39.9 -21.9 21.7 -3.0 233 238 A F H < S+ 0 0 0 -4,-3.7 3,-0.4 -5,-0.2 -1,-0.2 0.971 109.2 46.7 -60.2 -52.1 -20.1 19.7 -0.3 234 239 A W H < S+ 0 0 15 -4,-2.2 4,-0.3 -5,-0.3 -2,-0.2 0.868 116.7 44.9 -55.2 -37.9 -23.0 17.1 -0.3 235 240 A L H >X S+ 0 0 15 -4,-2.5 4,-1.2 1,-0.2 3,-0.8 0.762 99.0 65.2 -82.1 -30.5 -23.0 16.9 -4.0 236 241 A L H 3X S+ 0 0 3 -4,-1.5 4,-2.5 -3,-0.4 3,-0.3 0.898 89.8 64.4 -72.1 -41.6 -19.3 16.6 -4.9 237 242 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.858 110.6 43.1 -41.6 -31.3 -18.8 13.3 -3.3 238 243 A A H <> S+ 0 0 0 -3,-0.8 4,-2.9 -4,-0.3 -2,-0.3 0.747 106.3 58.9 -88.6 -27.5 -21.3 12.2 -6.0 239 244 A Y H X S+ 0 0 2 -4,-1.2 4,-2.5 -3,-0.3 5,-0.2 0.805 106.4 50.7 -72.1 -30.4 -19.6 14.3 -8.8 240 245 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.5 0.991 112.1 45.5 -56.3 -68.7 -16.4 12.2 -8.0 241 246 A I H X>S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 5,-1.6 0.922 119.9 42.3 -40.6 -57.5 -18.4 8.9 -8.3 242 247 A I H <5S+ 0 0 3 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.853 116.2 45.5 -59.5 -50.5 -20.1 10.1 -11.4 243 248 A Y H <5S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.863 127.9 22.7 -59.5 -45.7 -17.1 11.8 -13.2 244 249 A T H <5S+ 0 0 6 -4,-2.6 260,-2.6 -5,-0.2 -2,-0.2 0.548 132.8 26.9-110.9 -15.4 -14.5 9.0 -12.7 245 250 A I T >X5S+ 0 0 0 -4,-2.1 3,-3.6 -5,-0.5 4,-1.2 0.726 101.7 67.8-114.5 -63.4 -16.4 5.8 -12.1 246 251 A L H 3>>S+ 0 0 5 0, 0.0 5,-1.7 0, 0.0 4,-1.4 0.809 105.6 44.7 -48.8 -28.4 -18.3 5.8 -17.2 248 253 A K H <45S+ 0 0 119 -3,-3.6 -2,-0.2 254,-0.3 255,-0.1 0.811 111.4 49.8 -86.4 -28.8 -16.9 2.3 -16.5 249 254 A Q H <5S+ 0 0 23 -4,-1.2 -3,-0.2 -3,-0.4 -1,-0.1 0.966 114.2 47.4 -57.4 -46.1 -20.2 1.2 -14.9 250 255 A A H <5S- 0 0 0 -4,-4.7 -2,-0.3 -5,-0.2 -1,-0.2 0.871 121.3-123.6 -58.2 -37.7 -21.4 2.7 -18.2 251 256 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