==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-MAY-09 3HB3 . COMPND 2 MOLECULE: CYTOCHROME C OXIDASE SUBUNIT 1-BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR J.KOEPKE,H.ANGERER,G.PENG . 1007 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 757 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 383 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 0 2 0 1 0 0 2 0 2 1 0 1 1 1 0 0 0 1 1 0 0 0 0 1 6 RESIDUES PER ALPHA HELIX . 1 1 0 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 PARALLEL BRIDGES PER LADDER . 6 3 2 3 5 8 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 3 0 2 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 17 A G 0 0 100 0, 0.0 2,-0.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 47.5 66.2 77.4 74.4 2 18 A F > - 0 0 154 1,-0.1 3,-5.6 2,-0.1 4,-0.5 -0.524 360.0-116.8 -67.2 112.1 62.9 75.5 74.5 3 19 A F G >>>S+ 0 0 120 -2,-0.5 4,-2.1 1,-0.3 3,-1.2 0.666 118.5 64.0 -1.5 -48.3 62.5 73.3 71.4 4 20 A T G 345S+ 0 0 76 1,-0.2 -1,-0.3 3,-0.2 4,-0.1 0.777 90.0 63.7 -64.4 -29.7 59.5 75.6 70.7 5 21 A R G <45S+ 0 0 92 -3,-5.6 -1,-0.2 3,-0.1 -2,-0.2 0.615 126.0 10.4 -63.2 -15.7 61.9 78.7 70.3 6 22 A W T X45S+ 0 0 77 -3,-1.2 3,-1.0 -4,-0.5 -2,-0.2 0.648 131.2 40.0-128.9 -71.1 63.4 76.9 67.3 7 23 A F T 3<5S+ 0 0 74 -4,-2.1 -3,-0.2 1,-0.3 -4,-0.1 0.663 121.3 46.4 -75.7 -17.6 61.7 73.9 66.0 8 24 A M T 3 > - 0 0 20 1,-0.1 3,-2.4 97,-0.1 4,-2.0 -0.702 67.5-134.4 -86.0 123.0 59.7 82.9 61.4 12 28 A H H 3> S+ 0 0 0 -2,-0.6 4,-1.9 1,-0.3 -1,-0.1 0.686 104.6 53.9 -38.1 -33.6 61.7 82.7 58.2 13 29 A K H 3> S+ 0 0 8 2,-0.2 4,-0.7 511,-0.2 -1,-0.3 0.798 111.1 45.7 -81.3 -30.6 64.9 83.5 60.0 14 30 A D H <> S+ 0 0 18 -3,-2.4 4,-2.0 2,-0.2 3,-0.5 0.944 113.5 48.3 -73.6 -42.1 64.4 80.7 62.4 15 31 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.3 -2,-0.2 0.852 109.8 54.0 -69.9 -33.5 63.4 78.2 59.6 16 32 A G H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.3 0.792 107.2 50.5 -67.7 -28.2 66.4 79.3 57.6 17 33 A I H X S+ 0 0 29 -4,-0.7 4,-1.2 -3,-0.5 -2,-0.2 0.894 108.8 51.4 -81.3 -35.6 68.6 78.6 60.6 18 34 A L H >X S+ 0 0 11 -4,-2.0 4,-2.7 1,-0.2 3,-1.1 0.972 108.7 52.6 -59.3 -51.9 67.1 75.1 61.0 19 35 A Y H 3X S+ 0 0 7 -4,-2.5 4,-2.9 1,-0.3 75,-0.2 0.868 109.3 49.7 -58.7 -33.5 67.7 74.4 57.3 20 36 A L H 3X S+ 0 0 32 -4,-1.6 4,-0.9 2,-0.2 -1,-0.3 0.744 114.0 40.2 -78.9 -28.0 71.4 75.3 57.6 21 37 A F H X S+ 0 0 24 -4,-2.7 4,-1.9 1,-0.2 3,-1.8 0.980 112.0 47.7 -49.0 -61.3 70.3 70.4 59.4 23 39 A A H 3X S+ 0 0 3 -4,-2.9 4,-2.2 1,-0.3 -1,-0.2 0.784 110.4 52.4 -56.8 -30.2 71.9 70.6 56.0 24 40 A G H 3X S+ 0 0 33 -4,-0.9 4,-1.0 2,-0.2 -1,-0.3 0.783 110.1 47.3 -77.4 -23.9 75.3 70.8 57.6 25 41 A I H XX S+ 0 0 104 -3,-1.8 4,-2.2 -4,-1.8 3,-1.0 0.971 114.1 46.6 -78.6 -60.5 74.8 67.7 59.7 26 42 A V H 3X S+ 0 0 6 -4,-1.9 4,-3.0 1,-0.3 -2,-0.2 0.890 112.4 51.8 -37.1 -50.9 73.4 65.7 56.8 27 43 A G H 3X S+ 0 0 5 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.3 0.810 107.0 52.4 -60.4 -34.0 76.4 66.9 54.7 28 44 A L H X S+ 0 0 71 -4,-2.2 4,-1.9 1,-0.2 3,-0.7 0.944 111.8 52.5 -68.8 -48.4 77.3 62.3 57.4 30 46 A S H 3X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.3 -1,-0.2 0.820 109.3 47.4 -57.3 -33.3 77.4 62.4 53.6 31 47 A V H 3X S+ 0 0 31 -4,-1.6 4,-1.2 2,-0.2 -1,-0.3 0.616 101.8 65.5 -80.6 -22.9 81.1 63.3 53.6 32 48 A C H XX S+ 0 0 56 -4,-0.9 4,-1.5 -3,-0.7 3,-1.0 0.987 101.9 49.0 -63.0 -50.9 81.7 60.6 56.1 33 49 A F H >X S+ 0 0 34 -4,-1.9 4,-3.6 1,-0.3 3,-0.8 0.898 107.9 55.3 -39.8 -52.3 80.7 58.0 53.4 34 50 A T H 3X S+ 0 0 32 -4,-1.2 4,-2.3 1,-0.3 -1,-0.3 0.766 105.2 50.8 -61.7 -35.3 83.0 59.7 50.9 35 51 A V H < S+ 0 0 1 -4,-2.3 3,-0.8 -3,-0.3 -2,-0.3 0.869 116.3 49.5 -69.0 -41.4 88.7 51.9 49.6 41 57 A L H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.643 88.9 86.2 -77.6 -8.1 89.6 53.6 46.3 42 58 A Q T 3< S+ 0 0 32 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.914 99.9 19.0 -58.5 -47.1 92.8 54.6 47.7 43 59 A H S < S- 0 0 92 -3,-0.8 4,-0.2 -4,-0.4 -1,-0.1 -0.965 84.7-105.2-127.9 151.4 94.5 51.3 46.6 44 60 A P S S+ 0 0 37 0, 0.0 2,-0.1 0, 0.0 417,-0.1 -0.340 90.0 54.3 -65.5 144.8 93.7 48.5 44.2 45 61 A G S S- 0 0 18 417,-0.2 2,-0.5 -2,-0.0 -2,-0.2 0.110 96.6 -92.1 106.8 138.6 92.4 45.3 46.0 46 62 A V + 0 0 16 18,-0.2 18,-0.2 1,-0.1 415,-0.1 -0.806 52.6 158.3 -79.0 124.3 89.4 45.5 48.3 47 63 A Q S S+ 0 0 51 -2,-0.5 12,-0.4 -4,-0.2 -1,-0.1 0.395 71.0 27.3-120.0 1.0 90.5 46.1 52.0 48 64 A Y S S+ 0 0 33 10,-0.1 7,-2.5 6,-0.1 2,-1.6 0.717 106.0 60.6-134.0 -52.6 87.5 47.5 53.7 49 65 A M S S+ 0 0 0 5,-0.2 18,-1.8 411,-0.1 2,-0.2 -0.402 72.6 161.7 -91.7 60.2 84.2 46.5 52.2 50 66 A a B > -A 66 0A 0 -2,-1.6 3,-1.3 3,-0.4 14,-0.1 -0.556 48.3-134.9 -75.0 132.7 84.8 42.8 52.9 51 67 A L T 3 S+ 0 0 89 14,-3.3 3,-0.2 1,-0.3 -1,-0.1 0.743 106.2 74.1 -56.0 -28.5 81.9 40.5 52.8 52 68 A E T 3 S- 0 0 97 1,-0.3 -1,-0.3 13,-0.2 2,-0.1 0.530 129.6 -69.9 -54.6 -5.7 83.5 39.1 56.0 53 69 A G < - 0 0 38 -3,-1.3 -3,-0.4 2,-0.0 -1,-0.3 -0.000 65.0 -67.8 105.2 135.9 82.1 42.3 57.4 54 70 A A - 0 0 66 -5,-0.2 -5,-0.2 -3,-0.2 2,-0.2 -0.227 52.2-158.1 -52.6 125.5 83.1 45.9 56.9 55 71 A R - 0 0 44 -7,-2.5 3,-0.1 1,-0.1 -1,-0.1 -0.605 19.2-161.2-105.9 177.2 86.6 46.8 58.3 56 72 A L S S+ 0 0 117 1,-0.5 2,-0.3 -2,-0.2 -1,-0.1 0.545 82.5 43.3-134.6 -33.3 88.0 50.1 59.3 57 73 A I S S- 0 0 129 -9,-0.1 -1,-0.5 -10,-0.0 2,-0.5 -0.906 93.6-110.3-113.8 151.6 91.7 49.2 59.3 58 74 A A - 0 0 47 -2,-0.3 2,-0.6 -3,-0.1 -10,-0.1 -0.700 28.2-165.7 -83.5 122.2 93.2 47.1 56.5 59 75 A D > - 0 0 79 -2,-0.5 3,-1.7 -12,-0.4 -1,-0.0 -0.879 8.5-170.8-116.0 101.9 94.3 43.6 57.6 60 76 A A T 3 S+ 0 0 111 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.785 84.4 56.5 -53.1 -37.0 96.6 41.8 55.0 61 77 A S T 3 S+ 0 0 109 2,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.080 95.0 72.0 -95.4 18.3 96.4 38.5 56.8 62 78 A A S < S- 0 0 38 -3,-1.7 -3,-0.2 2,-0.0 -1,-0.1 -0.943 90.5-112.7-130.6 117.2 92.6 38.2 56.8 63 79 A E - 0 0 157 -2,-0.4 2,-0.5 1,-0.1 -11,-0.1 -0.165 28.2-160.2 -29.9 122.2 90.9 37.4 53.6 64 80 A a - 0 0 30 -18,-0.2 -18,-0.2 -4,-0.1 -15,-0.1 -0.982 3.1-158.5-113.5 121.4 88.8 40.3 52.5 65 81 A T - 0 0 49 -2,-0.5 -14,-3.3 -18,-0.0 -13,-0.2 -0.904 30.9-105.2-107.6 119.2 86.1 39.2 50.0 66 82 A P B -A 50 0A 46 0, 0.0 2,-0.3 0, 0.0 -16,-0.2 -0.008 29.0-162.9 -46.0 135.2 84.8 42.1 47.8 67 83 A N >> + 0 0 9 -18,-1.8 3,-2.2 1,-0.1 4,-1.5 -0.691 12.2 176.5-121.7 69.9 81.3 43.3 48.9 68 84 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.802 75.4 68.2 -39.8 -30.8 80.2 45.2 45.9 69 85 A H H 3> S+ 0 0 6 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.896 98.8 45.8 -63.9 -37.6 76.9 45.7 47.7 70 86 A L H X> S+ 0 0 34 -3,-2.2 4,-2.5 -21,-0.2 3,-0.5 0.966 112.0 53.1 -73.1 -45.6 78.3 47.9 50.4 71 87 A W H 3X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 5,-0.3 0.924 110.1 46.1 -39.6 -59.9 80.2 50.0 47.8 72 88 A N H 3X S+ 0 0 6 -4,-2.4 4,-1.4 1,-0.2 75,-0.6 0.751 111.0 54.7 -65.0 -23.7 77.1 50.6 45.8 73 89 A V H X S+ 0 0 14 -4,-2.5 4,-3.6 1,-0.2 3,-1.1 0.983 113.5 45.8 -55.1 -62.9 77.7 54.1 50.0 75 91 A I H 3X S+ 0 0 24 -4,-2.1 4,-2.0 1,-0.3 -1,-0.2 0.827 113.0 50.7 -54.3 -33.9 77.8 55.9 46.6 76 92 A T H 3X S+ 0 0 3 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.3 0.793 115.0 41.1 -74.4 -33.1 74.0 55.8 46.2 77 93 A Y H S+ 0 0 15 -4,-1.5 4,-2.1 2,-0.2 5,-0.6 0.916 114.7 46.3 -71.8 -35.5 71.0 60.9 47.4 81 97 A L H X>S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 5,-0.6 0.985 113.4 46.8 -69.9 -51.5 71.9 62.8 50.5 82 98 A M H X>S+ 0 0 38 -4,-2.9 4,-1.0 -5,-0.2 5,-0.8 0.902 119.4 42.6 -50.7 -46.2 74.0 65.5 48.8 83 99 A M H <5S+ 0 0 11 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.610 129.7 17.9 -87.9 -25.0 71.2 66.0 46.1 84 100 A F H <5S+ 0 0 13 -4,-2.1 -1,-0.2 -3,-0.3 -3,-0.2 0.502 135.5 31.3-112.9 -9.5 68.0 66.0 48.0 85 101 A F H <>S+ 0 0 11 -6,-0.5 4,-2.4 1,-0.2 5,-1.6 0.928 114.1 47.5 -73.8 -42.4 69.6 72.6 48.1 89 105 A P H 4>S+ 0 0 10 0, 0.0 5,-0.7 0, 0.0 -1,-0.2 0.861 115.9 48.8 -57.4 -34.8 68.2 72.6 51.7 90 106 A A H X>S+ 0 0 6 -4,-2.1 4,-2.3 3,-0.2 5,-1.2 0.997 122.6 28.8 -66.0 -65.2 71.2 74.7 52.6 91 107 A L H <>S+ 0 0 1 -4,-2.3 5,-1.6 3,-0.2 -3,-0.2 0.806 135.1 25.9 -65.7 -52.0 71.0 77.3 49.7 92 108 A F T <5S+ 0 0 12 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 0.871 134.2 33.6 -82.6 -46.3 67.3 77.4 48.9 93 109 A G T 4XXS+ 0 0 0 -5,-1.2 4,-2.7 1,-0.2 5,-0.7 0.885 124.7 56.4 -58.7 -34.5 69.9 81.3 52.7 96 112 A G H 3>4>S+ 0 0 0 0, 0.0 5,-3.0 0, 0.0 3,-0.7 0.936 115.6 51.2 -64.4 -38.6 62.5 88.4 52.7 102 118 A L H ><5S+ 0 0 0 -4,-0.7 3,-1.8 1,-0.2 412,-0.2 0.939 107.5 55.7 -54.5 -46.1 65.2 90.7 54.1 103 119 A H H 3<5S+ 0 0 0 -4,-3.2 411,-0.3 1,-0.3 -1,-0.2 0.730 116.5 32.4 -64.6 -27.5 66.3 91.4 50.6 104 120 A I T <<5S- 0 0 0 -4,-1.1 89,-2.3 -3,-0.7 -1,-0.3 0.132 114.1-112.1-112.2 16.2 62.8 92.6 49.4 105 121 A G T < 5 + 0 0 6 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.906 61.9 155.1 47.7 52.3 61.9 94.0 52.8 106 122 A A < - 0 0 0 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.860 44.3-140.0 -98.6 141.7 59.2 91.6 53.5 107 123 A P S S- 0 0 56 0, 0.0 419,-0.3 0, 0.0 2,-0.2 0.958 77.7 -23.0 -61.3 -55.7 58.3 90.9 57.2 108 124 A D S S- 0 0 32 -7,-0.1 2,-0.2 -97,-0.1 -97,-0.1 -0.715 83.4 -73.0-137.4-169.5 57.9 87.1 56.7 109 125 A M - 0 0 2 -2,-0.2 75,-0.1 1,-0.1 74,-0.1 -0.555 53.6-103.0 -83.4 161.3 57.1 84.6 53.9 110 126 A A S S+ 0 0 28 73,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.907 114.0 25.8 -47.4 -51.0 53.5 84.6 52.7 111 127 A F > + 0 0 65 1,-0.1 4,-1.4 2,-0.1 -1,-0.2 -0.832 64.9 173.3-123.1 88.8 52.5 81.3 54.6 112 128 A P H > S+ 0 0 31 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.816 80.8 59.8 -68.8 -35.1 54.8 81.0 57.6 113 129 A R H > S+ 0 0 167 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.965 107.0 45.5 -42.9 -63.2 52.7 78.0 58.7 114 130 A L H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.816 107.2 60.4 -56.5 -32.9 53.5 76.2 55.5 115 131 A N H X S+ 0 0 0 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.904 104.2 47.1 -73.8 -35.4 57.1 77.1 55.9 116 132 A N H >X S+ 0 0 16 -4,-1.9 4,-1.4 -3,-0.4 3,-0.6 0.909 110.6 53.6 -67.5 -38.0 57.5 75.3 59.2 117 133 A L H >X S+ 0 0 78 -4,-1.8 4,-2.7 1,-0.3 3,-0.9 0.947 103.3 57.8 -56.9 -57.8 55.8 72.3 57.6 118 134 A S H 3X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.3 -1,-0.3 0.701 105.9 49.4 -34.5 -40.8 58.3 72.4 54.8 119 135 A Y H X S+ 0 0 69 -4,-2.8 4,-3.6 1,-0.2 3,-1.3 0.960 109.4 53.7 -55.0 -53.1 61.0 63.2 57.7 125 141 A G H 3X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.3 -1,-0.2 0.866 108.8 49.4 -54.9 -43.1 62.5 62.8 54.3 126 142 A V H 3X S+ 0 0 21 -4,-2.1 4,-1.3 -5,-0.4 -1,-0.3 0.813 112.4 47.7 -62.6 -28.0 65.9 62.6 55.9 127 143 A A H X S+ 0 0 40 -4,-2.9 3,-2.7 2,-0.2 4,-1.8 0.976 109.0 50.1 -53.4 -66.2 65.5 54.1 57.4 132 148 A S H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.3 11,-0.3 0.894 109.0 52.1 -32.8 -57.7 66.1 53.0 53.6 133 149 A L H 3< S+ 0 0 37 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.762 117.8 38.2 -56.8 -21.8 69.8 52.8 54.3 134 150 A L H << S+ 0 0 102 -3,-2.7 -1,-0.2 -4,-1.0 -2,-0.2 0.586 100.2 93.2-110.5 -14.3 69.2 50.6 57.2 135 151 A A S << S- 0 0 10 -4,-1.8 8,-2.7 -3,-0.7 2,-0.5 -0.077 90.4 -80.1 -69.6 164.4 66.3 48.6 55.8 136 152 A P E +B 142 0B 62 0, 0.0 26,-2.4 0, 0.0 25,-2.3 -0.671 62.9 149.5 -73.7 125.2 66.7 45.2 53.9 137 153 A G E >> -B 141 0B 5 4,-3.3 4,-0.6 -2,-0.5 3,-0.6 -0.313 46.5 -15.5-123.4-139.9 67.7 45.6 50.3 138 154 A G G >4 S+ 0 0 3 5,-0.3 3,-0.9 1,-0.2 -1,-0.4 -0.118 113.7 19.7 -62.9 159.5 69.7 43.5 47.8 139 155 A N G 34 S- 0 0 63 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.599 124.1 -66.0 66.6 26.6 72.0 40.6 48.7 140 156 A D G <4 S+ 0 0 177 -3,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.949 113.9 113.8 55.1 49.6 70.7 39.6 52.2 141 157 A Q E << S-B 137 0B 49 -3,-0.9 -4,-3.3 -4,-0.6 2,-0.4 -0.930 73.0 -86.0-149.3 164.1 72.1 43.0 53.1 142 158 A M E S-B 136 0B 122 -2,-0.3 -8,-0.1 -6,-0.2 -7,-0.1 -0.622 77.7 -5.8 -79.4 129.5 71.1 46.5 54.3 143 159 A G S S- 0 0 0 -8,-2.7 -5,-0.3 -2,-0.4 -6,-0.2 0.497 82.5 -58.8 82.7 148.2 70.1 49.4 51.8 144 160 A S - 0 0 2 -7,-0.1 -68,-0.2 18,-0.1 -67,-0.1 -0.223 29.6-175.0 -61.2 147.0 69.8 50.1 48.0 145 161 A G + 0 0 4 -69,-0.1 606,-0.3 -70,-0.1 -72,-0.1 -0.079 52.3 112.9-130.3 31.2 72.9 49.9 45.7 146 162 A V S >S- 0 0 4 1,-0.2 5,-0.8 604,-0.1 3,-0.1 0.145 82.3-105.6 -86.1 10.9 71.1 51.2 42.7 147 163 A G T > 5 - 0 0 0 -75,-0.6 3,-2.4 3,-0.1 -1,-0.2 0.340 46.4 -69.6 60.6 163.3 73.0 54.6 42.3 148 164 A W T 3 5S+ 0 0 35 1,-0.3 -1,-0.1 -73,-0.2 -72,-0.0 0.677 130.7 50.8 -64.5 -21.1 71.5 58.0 43.2 149 165 A V T 3 5S- 0 0 6 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.330 98.8-129.8-100.5 15.9 69.0 58.1 40.3 150 166 A L T < 5 - 0 0 6 -3,-2.4 -3,-0.1 1,-0.2 -2,-0.1 0.878 27.0-160.8 49.7 49.2 67.3 54.5 40.8 151 167 A Y >< - 0 0 21 -5,-0.8 4,-1.6 4,-0.1 -1,-0.2 -0.482 22.4-106.4 -65.7 124.7 67.6 53.1 37.2 152 168 A P T 4 S+ 0 0 2 0, 0.0 558,-0.1 0, 0.0 100,-0.1 -0.420 93.8 33.9 -68.8 161.9 65.3 50.2 36.4 153 169 A P T > S+ 0 0 10 0, 0.0 4,-1.1 0, 0.0 3,-0.4 -0.970 123.6 50.5 -81.2 -10.1 65.2 47.3 36.1 154 170 A L H > S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.857 118.2 42.3 -43.9 -39.6 68.0 47.2 38.6 155 171 A S H < S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -4,-0.1 0.770 114.3 46.9 -89.2 -27.6 66.0 49.3 41.0 156 172 A T H 4 S+ 0 0 28 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.505 116.0 51.1 -83.1 -1.0 62.6 47.7 40.5 157 173 A T H < S+ 0 0 85 -4,-1.1 -2,-0.2 -3,-0.2 -3,-0.2 0.735 78.1 117.8-105.6 -33.5 64.4 44.4 40.9 158 174 A E < - 0 0 24 -4,-1.6 -14,-0.1 -5,-0.2 -3,-0.0 0.050 64.4-124.6 -44.6 151.3 66.3 44.9 44.2 159 175 A A S S+ 0 0 75 2,-0.0 -21,-0.2 4,-0.0 -22,-0.1 0.984 73.5 38.5 -75.5 -65.3 65.3 42.6 47.0 160 176 A G S S- 0 0 25 -19,-0.2 -23,-0.3 -25,-0.1 -18,-0.1 0.713 88.9 -94.9 -72.1-133.2 64.1 44.2 50.2 161 177 A Y S > S+ 0 0 133 -25,-2.3 4,-1.7 -29,-0.1 3,-0.3 0.227 94.4 102.7-126.2 8.7 62.0 47.3 50.9 162 178 A S H > S+ 0 0 0 -26,-2.4 4,-2.3 1,-0.2 -25,-0.2 0.901 82.8 53.1 -54.6 -36.4 65.0 49.7 51.3 163 179 A M H > S+ 0 0 0 -27,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.805 104.7 52.0 -71.5 -33.4 64.2 50.9 47.8 164 180 A D H > S+ 0 0 13 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.796 109.2 51.4 -74.1 -22.9 60.6 51.6 48.5 165 181 A L H X S+ 0 0 36 -4,-1.7 4,-2.9 2,-0.2 3,-0.4 0.945 105.7 55.0 -75.6 -46.4 61.7 53.7 51.4 166 182 A A H X S+ 0 0 10 -4,-2.3 4,-3.1 1,-0.3 5,-0.2 0.913 107.4 51.4 -39.4 -50.8 64.2 55.6 49.1 167 183 A I H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.840 109.8 47.9 -65.0 -35.2 61.2 56.4 47.0 168 184 A F H X S+ 0 0 91 -4,-1.2 4,-1.4 -3,-0.4 -1,-0.2 0.908 112.0 50.2 -74.2 -35.0 59.3 57.7 50.0 169 185 A A H >X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 3,-0.7 0.959 111.3 47.7 -64.1 -51.3 62.3 59.8 51.1 170 186 A V H 3X S+ 0 0 4 -4,-3.1 4,-2.3 1,-0.3 -1,-0.2 0.862 112.5 50.7 -57.8 -37.7 62.7 61.3 47.7 171 187 A H H 3X S+ 0 0 58 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.3 0.787 108.9 50.7 -68.8 -30.5 59.0 62.0 47.6 172 188 A V H XX S+ 0 0 34 -4,-1.4 4,-1.9 -3,-0.7 3,-0.7 0.952 109.6 49.9 -79.7 -51.5 59.1 63.7 51.0 173 189 A S H 3X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.932 107.1 57.5 -34.8 -61.3 62.0 65.9 49.9 174 190 A G H 3X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.816 106.9 47.1 -47.1 -35.7 60.0 66.8 46.7 175 191 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 3,-0.6 0.968 112.0 52.4 -57.3 -60.1 56.3 80.6 49.6 184 200 A I H 3X S+ 0 0 1 -4,-2.7 4,-1.3 1,-0.3 -1,-0.2 0.835 115.6 45.6 -50.0 -29.7 59.4 82.0 47.7 185 201 A I H 3X S+ 0 0 14 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.3 0.818 115.5 41.0 -88.2 -32.0 57.0 82.8 44.8 186 202 A T H - 0 0 33 -89,-2.3 3,-1.7 -2,-0.3 -1,-0.1 -0.457 47.5 -89.3 -65.8 139.7 58.2 96.7 50.1 194 210 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.199 117.4 35.1 -52.4 134.6 56.8 99.7 48.1 195 211 A G T 3 S+ 0 0 73 1,-0.1 2,-1.0 -3,-0.1 -2,-0.1 0.295 87.3 110.8 99.7 -7.9 59.5 101.3 46.0 196 212 A M < - 0 0 35 -3,-1.7 -1,-0.1 -92,-0.1 2,-0.1 -0.799 51.8-171.8-106.7 85.0 61.1 97.9 45.2 197 213 A T >> - 0 0 87 -2,-1.0 3,-2.8 1,-0.1 4,-1.1 -0.439 42.1-100.9 -70.9 156.0 60.4 97.4 41.5 198 214 A L G >4 S+ 0 0 66 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.872 127.0 54.0 -41.2 -37.7 61.2 94.1 39.8 199 215 A F G 34 S+ 0 0 106 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.534 105.6 49.9 -91.8 7.7 64.3 95.9 38.5 200 216 A K G <4 S+ 0 0 143 -3,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.392 82.0 116.3-110.7 -5.3 65.5 97.0 42.0 201 217 A V S << S- 0 0 0 -4,-1.1 -97,-0.1 -3,-0.7 5,-0.1 -0.433 75.2-107.1 -63.9 129.6 65.2 93.5 43.6 202 218 A P > - 0 0 16 0, 0.0 4,-1.7 0, 0.0 5,-0.1 -0.273 25.1-114.3 -60.9 144.7 68.7 92.1 44.6 203 219 A L H > S+ 0 0 7 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.888 114.7 57.6 -43.5 -45.7 70.2 89.3 42.5 204 220 A F H > S+ 0 0 0 68,-0.4 4,-1.8 1,-0.3 5,-0.3 0.955 105.8 49.5 -61.9 -47.6 70.0 86.7 45.4 205 221 A A H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.888 114.7 46.3 -52.9 -36.4 66.2 87.3 45.6 206 222 A W H >X S+ 0 0 20 -4,-1.7 4,-2.6 2,-0.2 3,-1.2 0.982 107.1 55.2 -70.9 -53.2 66.0 86.8 41.9 207 223 A S H 3X S+ 0 0 0 -4,-3.6 4,-1.8 1,-0.3 -2,-0.2 0.827 114.3 42.3 -48.7 -36.3 68.2 83.6 41.8 208 224 A V H 3X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -1,-0.3 0.684 110.9 53.1 -89.8 -24.9 65.9 82.0 44.3 209 225 A F H X S+ 0 0 17 -4,-2.6 4,-2.1 2,-0.2 3,-0.7 0.922 109.4 57.0 -70.3 -45.7 63.7 81.7 39.5 211 227 A T H 3X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.875 101.8 56.7 -49.7 -40.0 64.9 78.5 41.2 212 228 A A H 3X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.3 0.826 104.0 52.2 -69.3 -30.6 61.4 78.1 42.7 213 229 A W H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 3,-0.7 0.806 104.9 63.8 -91.3 -35.6 60.5 69.6 37.5 219 235 A L H 3X S+ 0 0 8 -4,-2.3 4,-2.0 -5,-0.3 -3,-0.1 0.880 99.5 55.3 -67.4 -37.1 59.8 68.0 41.0 220 236 A P H 3> S+ 0 0 63 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.757 105.8 54.7 -58.5 -26.6 56.2 66.7 39.9 221 237 A V H <> S+ 0 0 38 -3,-0.7 4,-2.1 2,-0.2 3,-0.4 0.954 106.9 48.1 -74.9 -46.1 58.0 65.0 37.0 222 238 A L H X S+ 0 0 5 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.873 107.2 58.8 -53.6 -38.7 60.3 63.2 39.5 223 239 A A H X S+ 0 0 30 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.894 106.6 46.8 -61.6 -40.3 57.2 62.4 41.4 224 240 A G H >X S+ 0 0 31 -4,-1.5 4,-2.4 -3,-0.4 3,-0.9 0.996 111.2 50.9 -62.3 -62.3 55.8 60.6 38.3 225 241 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.3 -2,-0.2 0.794 114.0 42.8 -41.2 -50.9 59.0 58.6 37.6 226 242 A I H 3X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.3 0.754 110.5 53.1 -83.1 -21.0 59.4 57.3 41.1 227 243 A T H X>S+ 0 0 67 -4,-1.5 4,-3.0 2,-0.2 3,-1.5 0.971 108.2 55.3 -77.1 -57.4 54.1 50.5 41.1 232 248 A D H 3<5S+ 0 0 25 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.781 116.2 43.2 -34.6 -37.3 56.4 48.3 39.0 233 249 A R H 3<5S+ 0 0 39 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.669 135.0 4.3 -89.0 -22.7 57.6 47.0 42.4 234 250 A N H <<5S+ 0 0 83 -3,-1.5 -3,-0.2 -4,-0.8 -2,-0.2 0.507 123.8 53.7-141.4 -21.8 54.5 46.5 44.5 235 251 A F T <5S- 0 0 145 -4,-3.0 -3,-0.2 -5,-0.3 -4,-0.1 0.390 101.6-111.3-117.5 4.7 51.4 47.1 42.4 236 252 A G < + 0 0 57 -5,-1.1 -4,-0.2 1,-0.2 -5,-0.1 0.274 66.9 135.1 94.4 -9.4 52.0 44.9 39.4 237 253 A T - 0 0 40 -6,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.118 43.9-152.5 -65.4 164.9 52.6 47.3 36.6 238 254 A Q + 0 0 84 6,-0.2 3,-0.5 1,-0.1 8,-0.3 -0.406 38.6 146.0-133.4 58.2 55.4 46.9 34.0 239 255 A F S S+ 0 0 78 -11,-0.3 8,-1.4 1,-0.2 11,-0.1 0.900 92.2 18.9 -57.3 -37.6 56.0 50.6 33.0 240 256 A F S S+ 0 0 0 6,-0.3 -1,-0.2 -12,-0.2 -84,-0.1 0.052 101.6 106.2-123.1 21.4 59.7 49.7 32.7 241 257 A D > > - 0 0 61 -3,-0.5 5,-2.4 1,-0.2 3,-1.5 -0.909 49.4-165.1-106.3 107.8 59.4 45.9 32.4 242 258 A P G > 5S+ 0 0 37 0, 0.0 3,-3.4 0, 0.0 -1,-0.2 0.909 86.7 71.6 -58.9 -40.3 60.1 44.6 28.8 243 259 A A G 3 5S+ 0 0 93 1,-0.3 484,-0.0 2,-0.1 -5,-0.0 0.710 109.9 35.3 -48.2 -17.5 58.6 41.2 29.7 244 260 A G G < 5S- 0 0 39 -3,-1.5 -1,-0.3 -6,-0.1 -6,-0.2 0.036 130.8 -87.4-126.7 25.8 55.3 43.1 29.8 245 261 A G T < 5S+ 0 0 75 -3,-3.4 -2,-0.1 1,-0.3 2,-0.1 0.408 88.7 111.4 90.6 -4.5 55.8 45.6 27.0 246 262 A G < - 0 0 22 -5,-2.4 -6,-0.3 -8,-0.3 -1,-0.3 -0.309 56.6-122.6-100.6-167.2 57.5 48.5 28.7 247 263 A D >> - 0 0 45 -8,-1.4 4,-0.8 -6,-0.1 3,-0.7 -0.993 8.1-147.8-145.9 117.4 60.9 50.1 28.5 248 264 A P H 3> S+ 0 0 0 0, 0.0 4,-0.8 0, 0.0 -8,-0.1 0.701 103.0 59.4 -57.7 -20.0 63.7 50.7 31.1 249 265 A V H 3> S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.736 87.8 69.2 -88.3 -21.9 64.7 53.8 29.0 250 266 A L H <> S+ 0 0 78 -3,-0.7 4,-1.9 1,-0.2 3,-0.4 0.952 99.2 54.5 -55.6 -42.5 61.3 55.5 29.3 251 267 A Y H X S+ 0 0 0 -4,-0.8 4,-3.6 1,-0.2 5,-0.2 0.885 102.2 54.2 -57.1 -47.8 62.2 56.0 33.0 252 268 A Q H X S+ 0 0 1 -4,-0.8 4,-2.9 1,-0.2 5,-0.3 0.852 107.4 52.0 -59.3 -32.6 65.5 57.7 32.2 253 269 A H H X S+ 0 0 52 -4,-1.6 4,-2.2 -3,-0.4 -1,-0.2 0.970 115.2 39.6 -66.9 -51.8 63.7 60.2 30.1 254 270 A I H X S+ 0 0 34 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.926 119.1 49.3 -61.0 -44.2 61.1 61.1 32.8 255 271 A L H >X S+ 0 0 2 -4,-3.6 4,-1.7 -5,-0.3 3,-1.3 0.944 112.9 43.9 -61.0 -48.0 63.8 60.9 35.4 256 272 A W H 3X S+ 0 0 19 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.800 98.1 73.0 -78.7 -21.9 66.3 63.1 33.5 257 273 A F H 3< S+ 0 0 56 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.843 111.8 31.2 -53.2 -32.1 63.5 65.5 32.7 258 274 A F H X S+ 0 0 7 -4,-2.1 3,-1.8 2,-0.2 4,-1.0 0.963 112.8 44.0 -64.7 -61.1 68.8 68.4 34.5 261 277 A P H >> S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 3,-2.2 0.933 104.9 69.1 -45.4 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