==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-JUL-08 3DTU . COMPND 2 MOLECULE: CYTOCHROME C OXIDASE SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR L.QIN,D.A.MILLS,L.BUHROW,C.HISER,S.FERGUSON-MILLER . 1592 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1202 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 2 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 . 2 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 . 61 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 766 48.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.7 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 3 0 3 1 2 3 2 1 2 2 2 0 2 2 0 0 2 0 0 2 0 0 2 0 2 12 RESIDUES PER ALPHA HELIX . 3 2 0 2 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 PARALLEL BRIDGES PER LADDER . 10 0 0 0 8 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 . 2 0 2 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 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 13 A R 0 0 287 0, 0.0 2,-0.4 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -67.8 32.2 -6.5 -47.1 2 14 A R - 0 0 95 1,-0.1 2,-0.0 2,-0.0 0, 0.0 -0.691 360.0-125.3 -85.7 133.5 30.6 -9.8 -46.2 3 15 A G > - 0 0 46 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.264 33.2 -98.5 -68.0 164.4 27.1 -10.6 -47.6 4 16 A F H > S+ 0 0 151 1,-0.2 4,-1.5 2,-0.2 5,-0.4 0.845 122.5 48.7 -57.1 -40.5 24.3 -11.5 -45.3 5 17 A F H >>S+ 0 0 107 2,-0.2 5,-1.2 3,-0.2 4,-0.7 0.920 115.8 42.8 -65.8 -46.1 24.7 -15.3 -45.8 6 18 A T H 45S+ 0 0 76 3,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.898 111.8 54.3 -67.1 -44.6 28.4 -15.3 -45.3 7 19 A R H <5S+ 0 0 55 -4,-2.9 -1,-0.2 3,-0.1 -2,-0.2 0.874 129.5 11.4 -55.2 -41.4 28.3 -12.9 -42.3 8 20 A W H ><5S+ 0 0 62 -4,-1.5 3,-1.1 -5,-0.2 -3,-0.2 0.889 128.1 40.6-106.5 -67.1 25.8 -15.2 -40.4 9 21 A F T 3<5S+ 0 0 50 -4,-0.7 -3,-0.2 -5,-0.4 -4,-0.1 0.687 119.2 46.0 -67.7 -21.0 25.2 -18.6 -41.8 10 22 A M T 3 > - 0 0 18 1,-0.1 4,-2.5 107,-0.1 3,-0.5 -0.572 67.7-133.5 -76.7 134.0 31.9 -18.1 -34.0 14 26 A H H 3> S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 -1,-0.1 0.808 104.7 53.1 -55.3 -37.1 29.9 -19.2 -31.0 15 27 A K H 3> S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.876 112.3 44.3 -67.9 -38.9 28.2 -15.8 -30.6 16 28 A D H <> S+ 0 0 19 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.899 114.8 47.9 -73.1 -42.4 27.0 -15.8 -34.2 17 29 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.922 109.9 54.6 -62.3 -45.3 25.9 -19.5 -34.1 18 30 A G H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.920 109.1 47.0 -48.3 -51.7 24.1 -18.7 -30.8 19 31 A V H X S+ 0 0 23 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.878 109.9 53.3 -62.4 -40.3 22.2 -15.9 -32.5 20 32 A L H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.937 109.8 48.2 -60.2 -46.8 21.3 -18.2 -35.5 21 33 A Y H X S+ 0 0 8 -4,-2.7 4,-2.6 84,-0.3 85,-0.2 0.878 111.6 51.4 -60.2 -40.4 19.9 -20.8 -33.1 22 34 A L H X S+ 0 0 26 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.911 113.3 41.7 -63.6 -46.6 17.9 -18.1 -31.3 23 35 A F H X S+ 0 0 119 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.892 117.6 47.1 -69.1 -41.5 16.2 -16.7 -34.4 24 36 A T H X S+ 0 0 23 -4,-2.3 4,-3.1 -5,-0.2 5,-0.3 0.946 111.5 50.6 -65.8 -48.3 15.6 -20.0 -35.9 25 37 A G H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.863 111.5 50.2 -54.1 -41.7 14.2 -21.4 -32.7 26 38 A G H X S+ 0 0 30 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.838 111.2 47.6 -64.9 -37.4 11.9 -18.4 -32.6 27 39 A L H X S+ 0 0 105 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.935 115.2 43.3 -71.1 -48.9 10.8 -18.9 -36.2 28 40 A V H X S+ 0 0 5 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.897 111.9 57.2 -62.1 -38.9 10.0 -22.6 -35.7 29 41 A G H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.921 105.4 50.0 -52.6 -48.2 8.4 -21.6 -32.3 30 42 A L H X S+ 0 0 47 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.907 111.2 48.7 -60.5 -44.1 6.1 -19.2 -34.2 31 43 A I H X S+ 0 0 61 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.963 113.7 45.4 -58.6 -54.1 5.1 -22.0 -36.7 32 44 A S H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.853 112.4 51.5 -61.3 -36.2 4.4 -24.5 -33.9 33 45 A V H X S+ 0 0 33 -4,-2.6 4,-1.2 -5,-0.3 -1,-0.2 0.877 106.0 55.3 -67.6 -36.5 2.5 -21.9 -31.9 34 46 A A H X S+ 0 0 42 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.887 103.4 55.6 -61.8 -39.7 0.4 -21.2 -35.0 35 47 A F H X S+ 0 0 34 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.902 105.7 52.5 -54.4 -44.9 -0.5 -24.9 -35.2 36 48 A T H X S+ 0 0 28 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.762 103.5 56.1 -66.3 -29.7 -1.8 -24.6 -31.6 37 49 A V H X S+ 0 0 24 -4,-1.2 4,-1.5 -3,-0.3 -1,-0.2 0.911 111.3 43.9 -65.8 -44.2 -4.1 -21.7 -32.4 38 50 A Y H X S+ 0 0 20 -4,-1.7 4,-2.4 2,-0.2 3,-0.4 0.953 112.4 53.2 -64.4 -47.8 -5.7 -23.8 -35.1 39 51 A M H X S+ 0 0 22 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.922 112.2 45.0 -48.3 -48.9 -5.8 -26.7 -32.7 40 52 A R H X S+ 0 0 14 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.710 105.4 60.7 -77.0 -19.7 -7.6 -24.5 -30.2 41 53 A M H >< S+ 0 0 35 -4,-1.5 3,-0.7 -3,-0.4 4,-0.4 0.958 110.0 42.6 -65.1 -48.8 -9.9 -23.1 -32.8 42 54 A E H 3< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.843 115.9 48.7 -65.3 -33.7 -11.1 -26.7 -33.3 43 55 A L H 3< S+ 0 0 2 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.575 86.8 88.3 -84.3 -6.6 -11.3 -27.4 -29.5 44 56 A M S << S+ 0 0 47 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.1 0.871 100.6 18.3 -57.1 -39.1 -13.2 -24.2 -28.8 45 57 A A S S- 0 0 39 -3,-0.5 4,-0.1 -4,-0.4 -1,-0.1 -0.986 86.1-105.6-135.6 144.1 -16.5 -25.9 -29.3 46 58 A P S S+ 0 0 25 0, 0.0 2,-0.1 0, 0.0 427,-0.1 -0.340 88.7 53.1 -63.5 153.7 -17.8 -29.5 -29.4 47 59 A G S S- 0 0 17 427,-0.3 2,-0.5 26,-0.0 -2,-0.2 0.072 97.4 -89.2 89.0 148.8 -18.5 -30.8 -32.9 48 60 A V + 0 0 4 28,-0.2 28,-0.1 1,-0.1 425,-0.1 -0.863 54.7 155.3 -96.6 125.5 -15.9 -30.5 -35.8 49 61 A Q S S+ 0 0 31 -2,-0.5 22,-3.0 -4,-0.1 3,-0.1 0.526 71.5 29.2-123.8 -18.4 -16.2 -27.2 -37.6 50 62 A F S S+ 0 0 15 20,-0.2 2,-1.6 1,-0.1 19,-0.1 0.749 104.4 66.1-116.6 -41.1 -12.7 -26.5 -39.2 51 63 A M S S+ 0 0 0 421,-0.1 28,-2.3 25,-0.1 2,-0.4 -0.505 70.2 161.8 -92.5 69.4 -11.1 -29.9 -39.9 52 64 A a B > -A 78 0A 3 -2,-1.6 3,-1.7 26,-0.2 4,-0.2 -0.722 45.9-139.5 -93.9 133.5 -13.5 -31.0 -42.6 53 65 A A G > S+ 0 0 31 24,-3.2 3,-1.9 -2,-0.4 4,-0.4 0.772 100.2 74.6 -57.4 -27.2 -12.7 -33.8 -45.0 54 66 A E G > S+ 0 0 34 1,-0.3 3,-0.7 23,-0.2 4,-0.3 0.729 83.3 66.4 -58.4 -25.4 -14.4 -31.6 -47.7 55 67 A H G < S+ 0 0 20 -3,-1.7 3,-0.3 1,-0.2 -1,-0.3 0.575 85.7 71.4 -74.8 -11.0 -11.3 -29.3 -47.6 56 68 A L G < S+ 0 0 98 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.814 88.6 60.6 -73.3 -30.2 -9.2 -32.1 -49.2 57 69 A E S < S+ 0 0 110 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.647 97.0 70.9 -74.4 -17.8 -10.9 -31.8 -52.6 58 70 A S S S- 0 0 28 -3,-0.3 -3,-0.0 -4,-0.3 0, 0.0 -0.146 101.5 -77.2 -79.5-174.7 -9.8 -28.2 -53.0 59 71 A G > - 0 0 39 1,-0.1 4,-0.6 -2,-0.0 -1,-0.2 -0.019 42.6-103.2 -69.1-175.9 -6.2 -27.2 -53.6 60 72 A L H > S+ 0 0 112 3,-0.2 4,-0.8 2,-0.1 -1,-0.1 0.816 122.3 39.7 -75.8 -34.0 -3.5 -27.0 -50.9 61 73 A V H > S+ 0 0 105 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.939 121.0 39.0 -82.2 -53.5 -3.8 -23.2 -50.8 62 74 A K H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.843 115.8 55.0 -66.7 -33.5 -7.6 -22.8 -51.2 63 75 A G H X S+ 0 0 5 -4,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.854 106.2 53.2 -62.5 -38.1 -8.1 -25.8 -48.9 64 76 A F H X S+ 0 0 111 -4,-0.8 4,-0.6 2,-0.2 -2,-0.2 0.927 110.7 44.3 -60.0 -50.6 -5.9 -24.0 -46.4 65 77 A F H >< S+ 0 0 136 -4,-1.9 3,-0.6 1,-0.2 4,-0.4 0.837 111.8 53.1 -69.1 -34.4 -8.0 -20.8 -46.4 66 78 A Q H >< S+ 0 0 82 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.878 102.0 61.3 -62.4 -40.5 -11.2 -22.9 -46.3 67 79 A S H 3< S+ 0 0 16 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.707 97.4 59.4 -57.3 -25.6 -9.9 -24.7 -43.2 68 80 A L T << S+ 0 0 62 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.600 93.8 70.7 -86.0 -15.2 -9.7 -21.4 -41.3 69 81 A W S < S- 0 0 204 -3,-1.3 2,-0.1 -4,-0.4 0, 0.0 -0.883 89.8-111.0-106.4 135.6 -13.4 -20.5 -41.5 70 82 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.374 28.9-158.1 -70.1 138.9 -15.9 -22.5 -39.4 71 83 A S - 0 0 36 -22,-3.0 2,-0.1 -4,-0.1 5,-0.1 -0.751 28.7 -97.5-104.1 157.8 -18.4 -24.8 -41.2 72 84 A A > - 0 0 36 -2,-0.3 3,-1.2 1334,-0.1 4,-0.5 -0.440 36.4-116.8 -62.5 148.1 -21.8 -26.1 -39.9 73 85 A V G > S+ 0 0 31 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.920 116.8 57.6 -54.7 -41.9 -21.4 -29.6 -38.5 74 86 A E G 3 S+ 0 0 86 1,-0.3 -1,-0.3 3,-0.1 1331,-0.1 0.678 110.6 42.9 -70.6 -12.7 -23.8 -30.9 -41.2 75 87 A N G < S+ 0 0 30 -3,-1.2 2,-0.6 1,-0.1 -1,-0.3 0.371 104.3 77.7-103.2 2.2 -21.4 -29.5 -43.9 76 88 A a < - 0 0 0 -3,-1.7 -28,-0.2 -4,-0.5 -1,-0.1 -0.913 60.9-161.3-123.5 105.5 -18.2 -30.8 -42.1 77 89 A T - 0 0 34 -2,-0.6 -24,-3.2 1,-0.1 -23,-0.2 -0.765 38.2-112.0 -81.8 115.2 -17.1 -34.4 -42.3 78 90 A P B -A 52 0A 16 0, 0.0 2,-0.5 0, 0.0 -26,-0.2 -0.172 26.9-160.8 -53.5 133.2 -14.7 -34.8 -39.4 79 91 A N >> + 0 0 6 -28,-2.3 4,-1.3 1,-0.1 3,-0.8 -0.789 13.0 176.7-116.2 87.9 -11.1 -35.4 -40.5 80 92 A G H 3> S+ 0 0 4 -2,-0.5 4,-2.6 1,-0.2 5,-0.1 0.733 75.3 66.8 -59.8 -26.2 -9.3 -36.9 -37.5 81 93 A H H 3> S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 98.1 50.4 -65.8 -41.2 -6.1 -37.4 -39.5 82 94 A L H <> S+ 0 0 48 -3,-0.8 4,-2.8 2,-0.2 5,-0.2 0.942 111.5 49.5 -61.4 -47.0 -5.5 -33.6 -39.8 83 95 A W H X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 5,-0.2 0.962 112.0 47.6 -52.5 -53.5 -6.0 -33.2 -36.1 84 96 A N H X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 75,-0.5 0.849 112.6 49.8 -58.7 -37.1 -3.5 -36.1 -35.5 85 97 A V H X S+ 0 0 10 -4,-2.3 4,-2.7 72,-0.2 -1,-0.2 0.926 111.0 48.2 -67.5 -47.3 -1.0 -34.5 -37.9 86 98 A M H X S+ 0 0 25 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.896 113.4 48.2 -56.6 -47.8 -1.2 -31.0 -36.3 87 99 A I H X S+ 0 0 24 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.885 113.9 46.0 -60.1 -44.6 -0.7 -32.4 -32.8 88 100 A T H X S+ 0 0 4 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.897 114.6 48.3 -67.9 -43.2 2.2 -34.5 -33.9 89 101 A G H X S+ 0 0 10 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.932 111.1 49.5 -63.7 -49.9 3.8 -31.5 -35.8 90 102 A H H X S+ 0 0 25 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.936 115.9 43.7 -52.5 -50.6 3.3 -29.2 -32.9 91 103 A G H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.902 115.1 46.0 -66.5 -46.4 4.9 -31.7 -30.5 92 104 A I H X>S+ 0 0 8 -4,-2.8 4,-2.2 2,-0.2 5,-0.7 0.928 113.8 49.8 -64.7 -43.5 7.8 -32.7 -32.7 93 105 A L H X5S+ 0 0 5 -4,-2.6 4,-2.3 -5,-0.2 5,-0.3 0.966 115.5 43.4 -58.5 -51.3 8.6 -29.1 -33.6 94 106 A M H X>S+ 0 0 38 -4,-2.4 5,-1.4 -5,-0.2 4,-0.9 0.928 118.7 41.7 -57.4 -50.6 8.6 -28.0 -29.9 95 107 A M H <5S+ 0 0 11 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.762 132.2 18.5 -77.0 -30.8 10.5 -31.0 -28.5 96 108 A F H <5S+ 0 0 11 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.672 133.5 31.0-109.1 -25.9 13.2 -31.3 -31.1 97 109 A F H <>S+ 0 0 10 -6,-0.4 4,-2.4 2,-0.2 5,-1.7 0.932 113.4 50.3 -71.2 -46.6 16.4 -26.9 -26.8 101 113 A P H 4>S+ 0 0 12 0, 0.0 5,-0.6 0, 0.0 -2,-0.2 0.878 115.4 46.2 -53.8 -36.4 17.9 -25.2 -29.9 102 114 A A H <>S+ 0 0 6 -4,-1.7 5,-2.0 3,-0.2 -2,-0.2 0.926 124.5 29.4 -70.5 -46.8 16.9 -21.8 -28.2 103 115 A L H <>S+ 0 0 1 -4,-2.5 5,-1.6 3,-0.2 -3,-0.2 0.936 136.1 23.4 -81.0 -52.2 18.3 -22.6 -24.7 104 116 A F T <>S+ 0 0 7 -4,-2.4 5,-0.9 -5,-0.3 -2,-0.1 0.939 133.7 34.8 -81.8 -55.5 21.1 -25.0 -25.4 105 117 A G T XS+ 0 0 0 -5,-2.0 4,-3.1 2,-0.2 5,-0.6 0.849 126.3 57.3 -65.6 -37.4 22.1 -19.1 -25.1 108 120 A G H >>S+ 0 0 0 0, 0.0 5,-2.7 0, 0.0 4,-0.8 0.939 114.9 50.8 -60.3 -44.0 32.1 -19.6 -23.5 114 126 A L H ><5S+ 0 0 0 -4,-0.7 3,-0.8 1,-0.2 -2,-0.2 0.913 108.6 53.1 -55.0 -43.0 31.7 -16.0 -22.3 115 127 A H H 3<5S+ 0 0 1 -4,-3.1 411,-0.3 1,-0.2 -1,-0.2 0.799 115.3 37.9 -66.4 -31.4 30.9 -17.3 -18.8 116 128 A I H 3<5S- 0 0 0 -4,-1.5 89,-2.8 -3,-0.4 -1,-0.2 0.373 115.3-110.0-100.3 1.8 34.1 -19.4 -18.5 117 129 A G T <<5 + 0 0 9 -4,-0.8 -3,-0.2 -3,-0.8 -2,-0.1 0.819 66.1 149.4 72.7 33.2 36.4 -16.9 -20.3 118 130 A A < - 0 0 0 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.814 45.9-144.4 -97.2 137.6 36.8 -19.1 -23.4 119 131 A P S S- 0 0 61 0, 0.0 419,-0.5 0, 0.0 2,-0.3 0.799 76.4 -24.7 -71.3 -28.6 37.3 -17.3 -26.8 120 132 A D S S- 0 0 31 83,-0.1 2,-0.2 -7,-0.1 -107,-0.1 -0.908 83.2 -65.7-161.3-176.4 35.3 -19.9 -28.7 121 133 A M - 0 0 3 -2,-0.3 75,-0.1 1,-0.1 74,-0.1 -0.527 49.2-111.0 -78.6 156.4 34.2 -23.5 -28.7 122 134 A A S S+ 0 0 29 73,-0.5 -1,-0.1 1,-0.3 73,-0.1 0.876 113.4 30.2 -51.8 -43.2 36.8 -26.2 -28.9 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G + 0 0 72 -4,-0.2 -4,-0.2 1,-0.2 -5,-0.1 0.460 68.6 140.9 69.1 4.9 11.7 -56.5 -43.0 249 261 A T - 0 0 43 -6,-1.2 -1,-0.2 -9,-0.1 3,-0.1 -0.320 40.1-155.9 -73.2 163.9 12.6 -56.5 -39.3 250 262 A T > + 0 0 57 6,-0.1 3,-0.6 1,-0.1 8,-0.2 -0.171 40.9 138.7-134.7 42.5 10.0 -57.3 -36.6 251 263 A F T 3 S+ 0 0 84 1,-0.2 8,-1.9 -11,-0.2 11,-0.1 0.854 89.6 18.8 -54.1 -39.9 11.4 -55.7 -33.5 252 264 A F T 3 S+ 0 0 0 6,-0.3 -1,-0.2 -12,-0.2 -84,-0.1 0.194 102.2 100.9-121.3 13.8 7.9 -54.4 -32.4 253 265 A Q X > - 0 0 38 -3,-0.6 5,-2.8 6,-0.2 3,-1.2 -0.905 56.6-156.7-107.3 113.1 5.6 -56.6 -34.5 254 266 A P G > 5S+ 0 0 44 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.804 90.8 64.3 -62.2 -31.5 4.1 -59.5 -32.4 255 267 A S G 3 5S+ 0 0 124 1,-0.3 -5,-0.0 2,-0.1 490,-0.0 0.825 108.6 41.4 -57.4 -35.6 3.6 -61.7 -35.6 256 268 A G G < 5S- 0 0 40 -3,-1.2 -1,-0.3 -6,-0.1 -6,-0.1 0.341 131.9 -92.4 -93.7 4.9 7.3 -61.8 -36.1 257 269 A G T < 5S+ 0 0 73 -3,-1.3 -2,-0.1 1,-0.2 -6,-0.1 0.529 84.3 131.4 96.8 8.7 8.0 -62.3 -32.3 258 270 A G < - 0 0 18 -5,-2.8 -6,-0.3 -8,-0.2 -1,-0.2 -0.208 48.3-135.5 -87.7-179.6 8.4 -58.6 -31.4 259 271 A D >> - 0 0 47 -8,-1.9 3,-1.3 1,-0.1 4,-0.8 -0.952 5.4-154.3-144.3 114.0 7.0 -56.5 -28.6 260 272 A P H >> S+ 0 0 0 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.824 97.7 61.4 -55.0 -32.2 5.5 -52.9 -29.0 261 273 A V H 3> S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.711 90.5 66.9 -72.7 -21.5 6.3 -52.3 -25.3 262 274 A L H <> S+ 0 0 74 -3,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.905 98.4 53.8 -62.1 -41.8 10.1 -52.8 -25.9 263 275 A Y H X S+ 0 0 5 -4,-3.4 4,-2.9 1,-0.2 3,-1.0 0.934 113.4 44.9 -55.7 -53.9 12.0 -44.4 -26.2 268 280 A W H 3X S+ 0 0 21 -4,-3.2 4,-2.4 2,-0.3 -1,-0.2 0.724 99.4 69.6 -70.6 -19.8 11.3 -43.2 -22.7 269 281 A F H 3< S+ 0 0 51 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.866 116.3 27.8 -61.2 -36.0 14.9 -44.0 -21.7 270 282 A F H X S+ 0 0 8 -4,-2.4 3,-1.4 2,-0.2 4,-1.0 0.956 113.5 48.9 -71.9 -53.7 12.5 -38.5 -19.7 273 285 A P H >> S+ 0 0 2 0, 0.0 4,-2.9 0, 0.0 3,-1.0 0.911 102.0 70.3 -46.2 -42.5 16.1 -37.1 -19.9 274 286 A E H 3X S+ 0 0 4 -4,-2.7 4,-1.6 1,-0.3 -2,-0.2 0.817 97.2 48.2 -38.9 -44.8 14.7 -35.1 -22.8 275 287 A V H S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.812 110.3 53.6 -56.4 -30.0 19.5 -24.4 -19.1 282 294 A A H > S+ 0 0 0 -4,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.849 104.3 53.3 -70.8 -36.4 16.4 -22.5 -17.9 283 295 A F H X S+ 0 0 2 -4,-1.8 4,-2.1 -3,-0.3 -1,-0.2 0.949 109.5 50.8 -57.8 -48.3 17.3 -23.3 -14.3 284 296 A G H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -68,-0.3 0.907 110.8 47.0 -53.6 -49.1 20.8 -21.7 -15.1 285 297 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.899 109.4 53.1 -63.8 -46.6 19.2 -18.6 -16.6 286 298 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.875 106.5 54.8 -55.8 -39.3 16.8 -18.1 -13.7 287 299 A S H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.958 110.9 43.5 -61.9 -48.5 19.8 -18.2 -11.3 288 300 A H H X S+ 0 0 16 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.890 116.4 48.7 -61.4 -40.2 21.7 -15.4 -13.1 289 301 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.922 111.2 46.0 -71.3 -45.9 18.5 -13.3 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18.4 -34.2 -11.2 312 324 A G H < S+ 0 0 2 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.892 114.6 42.4 -57.6 -44.5 20.3 -35.1 -14.3 313 325 A V H >< S+ 0 0 98 -4,-2.2 3,-1.9 1,-0.2 4,-0.2 0.937 114.8 48.9 -69.9 -50.4 21.3 -38.6 -12.9 314 326 A L H >< S+ 0 0 35 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.807 98.3 71.3 -57.5 -32.4 17.9 -39.3 -11.5 315 327 A G T 3< S+ 0 0 0 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.3 0.658 94.6 56.1 -59.3 -16.5 16.4 -38.3 -14.8 316 328 A F T < S+ 0 0 21 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.552 104.3 49.1 -93.6 -7.5 17.9 -41.6 -16.2 317 329 A V S < S+ 0 0 52 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.1 0.060 99.7 62.7-121.1 23.6 16.3 -44.1 -13.8 318 330 A V > + 0 0 0 -3,-0.3 3,-1.8 -50,-0.1 4,-0.1 0.313 58.7 119.7-129.6 4.8 12.6 -43.0 -13.9 319 331 A W G > + 0 0 55 1,-0.3 3,-1.5 -3,-0.1 -2,-0.1 0.730 62.9 67.5 -54.8 -35.0 11.5 -43.6 -17.5 320 332 A A G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.469 72.5 87.8 -73.9 1.6 8.7 -46.1 -16.9 321 333 A H G < S+ 0 0 29 -3,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.584 86.5 59.0 -70.4 -6.5 6.4 -43.6 -15.2 322 334 A H G < S+ 0 0 49 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.312 106.4 50.0 -90.7 3.9 5.4 -42.9 -18.8 323 335 A M X + 0 0 1 -3,-1.9 3,-1.7 1,-0.1 5,-0.4 0.120 63.8 122.7-132.9 19.3 4.3 -46.6 -18.9 324 336 A Y T 3 S+ 0 0 1 -3,-0.3 4,-0.3 1,-0.3 3,-0.3 0.759 87.7 36.6 -58.8 -28.1 2.1 -47.3 -15.8 325 337 A T T 3 S+ 0 0 0 1,-0.1 416,-2.9 2,-0.1 -1,-0.3 0.307 95.4 88.2-105.5 6.8 -0.8 -48.5 -18.0 326 338 A A S < S- 0 0 2 -3,-1.7 -1,-0.1 414,-0.2 -2,-0.1 0.398 116.9 -79.1 -90.3 3.8 1.4 -50.3 -20.6 327 339 A G S S+ 0 0 29 -3,-0.3 2,-0.3 -4,-0.2 -2,-0.1 0.772 72.2 162.5 104.3 36.4 1.5 -53.6 -18.8 328 340 A L - 0 0 11 -5,-0.4 -1,-0.2 -4,-0.3 0, 0.0 -0.676 40.9-110.9 -85.2 142.0 4.1 -53.1 -16.1 329 341 A S > - 0 0 56 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.228 29.0-109.8 -61.4 157.8 4.3 -55.4 -13.2 330 342 A L H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.836 120.1 55.0 -58.8 -35.0 3.4 -54.1 -9.7 331 343 A T H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 108.8 45.8 -64.1 -48.5 7.1 -54.3 -8.7 332 344 A Q H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.900 113.4 50.9 -61.5 -41.6 8.2 -52.1 -11.7 333 345 A Q H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 59,-0.2 0.902 110.2 48.8 -64.0 -43.8 5.4 -49.6 -11.0 334 346 A S H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.924 113.3 46.9 -61.9 -46.7 6.3 -49.3 -7.3 335 347 A Y H X S+ 0 0 106 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.960 113.3 46.4 -60.6 -53.7 10.0 -48.8 -8.0 336 348 A F H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.847 111.1 53.9 -63.7 -34.5 9.5 -46.2 -10.8 337 349 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.946 113.1 41.6 -57.5 -53.0 7.0 -44.4 -8.6 338 350 A M H X S+ 0 0 89 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.912 113.8 51.7 -68.8 -42.4 9.4 -44.1 -5.7 339 351 A A H >X S+ 0 0 9 -4,-3.2 4,-0.6 1,-0.2 3,-0.6 0.930 110.4 50.5 -54.8 -45.4 12.4 -43.2 -7.9 340 352 A T H >< S+ 0 0 11 -4,-2.1 3,-1.2 1,-0.2 4,-0.4 0.899 103.7 57.8 -62.9 -43.1 10.3 -40.5 -9.5 341 353 A M H >< S+ 0 0 10 -4,-2.0 3,-1.2 1,-0.3 4,-0.3 0.804 94.1 67.2 -56.7 -33.7 9.3 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