==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT PROTEIN 23-JUN-97 1C52 . COMPND 2 MOLECULE: CYTOCHROME-C552; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.E.THAN,P.HOF,R.HUBER,G.P.BOURENKOV,H.D.BARTUNIK,G.BUSE, . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 1 0 1 2 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A Q 0 0 224 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-130.6 37.9 28.3 30.5 2 2 A A - 0 0 34 1,-0.2 2,-0.6 2,-0.0 3,-0.1 0.943 360.0-169.4 61.6 99.5 34.4 29.7 30.5 3 3 A D >> - 0 0 92 1,-0.1 4,-2.4 2,-0.0 3,-0.5 -0.955 8.0-160.4-118.0 105.5 31.9 28.0 28.2 4 4 A G H 3> S+ 0 0 12 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.834 89.9 56.5 -57.3 -34.2 28.7 30.1 28.0 5 5 A A H 34 S+ 0 0 48 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.876 109.1 46.2 -67.8 -34.3 26.6 27.2 26.8 6 6 A K H X4 S+ 0 0 155 -3,-0.5 3,-1.5 1,-0.2 4,-0.3 0.911 111.7 50.3 -72.9 -42.8 27.6 25.2 29.9 7 7 A I H >< S+ 0 0 14 -4,-2.4 3,-2.1 1,-0.3 4,-0.2 0.881 99.7 67.2 -63.6 -33.3 26.9 28.1 32.2 8 8 A Y T >X S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.3 4,-1.8 0.692 79.0 80.1 -61.1 -17.8 23.6 28.6 30.6 9 9 A A H <> S+ 0 0 59 -3,-1.5 4,-0.5 -4,-0.3 -1,-0.3 0.843 87.0 59.2 -57.8 -29.7 22.5 25.2 32.1 10 10 A Q H <4 S+ 0 0 109 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.633 112.3 38.4 -72.4 -14.4 21.9 27.2 35.3 11 11 A C H X> S+ 0 0 23 -3,-2.0 4,-2.5 -4,-0.2 3,-1.3 0.621 95.4 83.6-106.5 -22.4 19.4 29.4 33.4 12 12 A A H 3X S+ 0 0 13 -4,-1.8 4,-1.5 1,-0.3 5,-0.2 0.740 76.6 65.7 -60.4 -31.6 17.7 26.8 31.2 13 13 A G H 3< S+ 0 0 64 -4,-0.5 -1,-0.3 2,-0.1 -2,-0.1 0.807 120.3 25.0 -61.1 -28.3 15.1 25.5 33.7 14 14 A C H <4 S+ 0 0 51 -3,-1.3 -2,-0.2 2,-0.1 12,-0.2 0.864 135.0 29.4 -98.9 -59.2 13.6 28.9 33.6 15 15 A H H < S- 0 0 25 -4,-2.5 6,-2.6 6,-0.1 14,-0.4 0.612 106.2-131.2 -81.7 -11.1 14.4 30.6 30.3 16 16 A Q >< - 0 0 56 -4,-1.5 3,-1.9 -5,-0.4 -3,-0.1 0.415 20.0 -88.7 76.0 151.7 14.7 27.2 28.4 17 17 A Q T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -5,-0.2 -4,-0.1 0.844 130.3 49.9 -62.0 -31.7 17.3 25.8 26.1 18 18 A N T 3 S- 0 0 73 -6,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.371 111.6-123.7 -86.2 5.9 15.5 27.4 23.1 19 19 A G S < S+ 0 0 0 -3,-1.9 10,-3.0 1,-0.1 11,-2.4 0.609 78.7 119.2 64.9 14.3 15.4 30.7 25.0 20 20 A Q - 0 0 119 8,-0.2 -4,-0.2 1,-0.2 -1,-0.1 0.538 54.2-161.6 -90.2 -3.8 11.7 31.0 24.7 21 21 A G - 0 0 10 -6,-2.6 -1,-0.2 6,-0.2 -6,-0.1 -0.157 32.6 -73.7 59.2-158.7 10.9 31.0 28.4 22 22 A I B >> -A 26 0A 74 4,-2.8 3,-2.6 -6,-0.0 4,-2.0 -0.916 45.7-122.1-139.6 106.9 7.5 30.2 29.7 23 23 A P T 34 S+ 0 0 82 0, 0.0 42,-0.1 0, 0.0 -2,-0.0 -0.232 100.4 22.8 -49.8 135.9 4.8 32.9 29.2 24 24 A G T 34 S+ 0 0 70 40,-0.3 42,-0.2 1,-0.1 41,-0.0 0.332 134.4 39.1 86.7 -5.8 3.3 33.9 32.6 25 25 A A T <4 S+ 0 0 42 -3,-2.6 -1,-0.1 1,-0.3 41,-0.1 0.566 117.1 14.9-135.3 -65.1 6.4 32.7 34.4 26 26 A F B < S-A 22 0A 79 -4,-2.0 -4,-2.8 -12,-0.2 -1,-0.3 -0.982 75.4-122.0-126.8 124.5 9.9 33.3 32.8 27 27 A P - 0 0 26 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.231 28.3-106.0 -67.7 152.9 10.5 35.7 30.0 28 28 A P - 0 0 8 0, 0.0 -8,-0.2 0, 0.0 -12,-0.1 -0.433 24.5-172.0 -72.7 151.1 12.0 34.7 26.7 29 29 A L > + 0 0 26 -10,-3.0 4,-2.6 -14,-0.4 5,-0.3 0.682 61.4 93.1-109.3 -36.1 15.5 35.7 25.9 30 30 A A T 4 S- 0 0 12 -11,-2.4 2,-1.2 1,-0.2 58,-0.1 -0.380 107.8 -0.8 -61.9 128.6 15.6 34.6 22.2 31 31 A G T > S+ 0 0 16 1,-0.1 4,-1.1 -2,-0.1 -1,-0.2 -0.243 125.0 75.0 86.0 -45.7 14.7 37.6 20.1 32 32 A H H > S+ 0 0 18 -2,-1.2 4,-1.9 1,-0.2 3,-0.2 0.860 83.0 62.2 -68.3 -39.3 14.3 39.7 23.2 33 33 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.901 101.8 53.9 -56.7 -39.1 18.0 40.2 23.9 34 34 A A H > S+ 0 0 11 -5,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.895 105.7 53.6 -61.8 -38.1 18.4 42.0 20.5 35 35 A E H < S+ 0 0 85 -4,-1.1 4,-0.3 -3,-0.2 -1,-0.2 0.901 111.6 44.5 -64.4 -40.6 15.7 44.4 21.5 36 36 A I H >< S+ 0 0 6 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.927 110.7 53.4 -70.3 -42.6 17.4 45.3 24.7 37 37 A L H 3< S+ 0 0 19 -4,-2.8 6,-0.3 1,-0.3 -1,-0.2 0.758 97.5 66.2 -63.8 -25.8 20.8 45.6 23.1 38 38 A A T 3< S+ 0 0 78 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.3 0.611 89.8 83.2 -70.2 -14.5 19.4 48.0 20.6 39 39 A K S X S- 0 0 74 -3,-1.8 3,-2.3 -4,-0.3 4,-0.4 -0.707 93.2-108.8 -92.9 145.4 18.8 50.5 23.4 40 40 A E T 3 S+ 0 0 188 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 -0.563 113.1 24.1 -68.5 132.4 21.6 52.7 24.7 41 41 A G T 3> S+ 0 0 29 -2,-0.2 4,-2.5 -4,-0.1 -1,-0.3 0.272 90.9 118.5 91.9 -8.9 22.4 51.3 28.1 42 42 A G H <> S+ 0 0 0 -3,-2.3 4,-2.1 1,-0.2 -5,-0.2 0.901 72.3 47.3 -57.5 -47.0 21.1 47.9 27.1 43 43 A R H > S+ 0 0 44 -4,-0.4 4,-1.6 -6,-0.3 -1,-0.2 0.909 113.0 49.3 -65.4 -37.2 24.4 46.0 27.5 44 44 A E H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.940 108.7 54.6 -65.3 -43.5 25.0 47.5 30.9 45 45 A Y H X S+ 0 0 9 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.911 105.4 51.2 -55.0 -47.5 21.5 46.6 31.9 46 46 A L H X S+ 0 0 13 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.871 110.5 49.4 -59.6 -38.7 21.9 42.9 31.0 47 47 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.919 108.8 53.3 -65.9 -43.0 25.1 42.8 33.1 48 48 A L H X S+ 0 0 8 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.882 105.2 54.3 -59.6 -40.5 23.3 44.5 36.0 49 49 A V H X S+ 0 0 14 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.938 111.3 45.5 -58.5 -45.0 20.5 41.8 35.9 50 50 A L H < S+ 0 0 17 -4,-1.6 22,-3.6 1,-0.2 -2,-0.2 0.872 119.3 40.2 -67.6 -36.4 23.2 39.1 36.2 51 51 A L H < S+ 0 0 3 -4,-2.4 22,-0.4 20,-0.2 -2,-0.2 0.844 133.8 16.6 -80.5 -33.1 25.1 40.8 39.0 52 52 A Y H < S- 0 0 30 -4,-2.9 19,-0.3 1,-0.2 -3,-0.2 0.492 95.7-128.2-123.6 -5.9 22.1 42.0 41.0 53 53 A G < - 0 0 0 -4,-2.3 2,-0.3 -5,-0.4 -1,-0.2 -0.220 20.7-108.3 83.4-176.6 19.0 40.2 40.0 54 54 A L E +B 69 0B 23 15,-2.0 15,-3.0 67,-0.1 2,-0.3 -0.986 30.0 171.9-156.1 143.4 15.6 41.7 39.0 55 55 A Q E +B 68 0B 71 63,-0.9 13,-0.2 -2,-0.3 67,-0.2 -0.983 36.1 63.4-151.0 150.2 12.2 42.0 40.5 56 56 A G E S-B 67 0B 21 11,-1.3 11,-0.6 -2,-0.3 2,-0.3 -0.489 84.2 -45.0 122.3 167.6 9.0 43.8 39.5 57 57 A Q E +B 66 0B 116 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.546 59.7 164.0 -77.2 130.8 6.5 44.0 36.7 58 58 A I E -B 65 0B 15 7,-2.8 7,-2.7 -2,-0.3 2,-0.4 -0.924 29.0-137.0-138.0 161.6 7.9 43.9 33.2 59 59 A E E +B 64 0B 58 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.972 20.2 179.3-121.3 138.3 6.4 43.3 29.8 60 60 A V E > S-B 63 0B 0 3,-3.0 3,-1.6 -2,-0.4 -2,-0.0 -0.974 73.1 -9.3-141.4 125.3 8.3 41.2 27.2 61 61 A K T 3 S- 0 0 86 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.916 130.2 -56.6 50.6 45.5 6.9 40.4 23.7 62 62 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.659 116.5 114.1 63.2 19.7 3.6 42.0 24.8 63 63 A M E < -B 60 0B 94 -3,-1.6 -3,-3.0 2,-0.0 2,-0.3 -0.940 62.6-125.7-122.8 143.2 3.3 39.6 27.7 64 64 A K E -B 59 0B 115 -2,-0.4 2,-0.4 -5,-0.2 -40,-0.3 -0.695 23.8-179.5 -92.8 142.6 3.4 40.5 31.4 65 65 A Y E +B 58 0B 12 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.1 -0.991 11.5 177.8-135.4 138.7 5.8 39.0 34.0 66 66 A N E +B 57 0B 123 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.1 -0.577 44.3 113.8-140.8 71.6 5.9 40.0 37.7 67 67 A G E -B 56 0B 37 -11,-0.6 -11,-1.3 -2,-0.1 2,-0.4 -0.425 58.4-102.5-125.6-160.7 8.5 37.6 39.1 68 68 A V E -B 55 0B 111 -13,-0.2 2,-0.4 -2,-0.1 -13,-0.2 -0.996 17.2-167.2-136.3 139.1 11.9 37.5 40.6 69 69 A M E -B 54 0B 46 -15,-3.0 -15,-2.0 -2,-0.4 2,-0.0 -0.995 22.0-132.3-124.2 131.6 15.3 36.6 39.3 70 70 A S - 0 0 77 -2,-0.4 -17,-0.3 -17,-0.2 2,-0.1 -0.266 27.6-101.6 -75.4 163.8 18.2 36.0 41.7 71 71 A S - 0 0 42 -19,-0.3 -20,-0.2 -20,-0.1 -21,-0.1 -0.474 18.9-157.5 -79.4 156.2 21.6 37.6 41.2 72 72 A F > + 0 0 31 -22,-3.6 3,-2.1 -23,-0.2 -21,-0.2 -0.152 48.9 131.4-123.9 34.5 24.4 35.4 39.7 73 73 A A T 3 + 0 0 33 -22,-0.4 -22,-0.1 1,-0.3 -1,-0.1 0.678 58.5 74.7 -64.0 -16.2 27.2 37.5 41.1 74 74 A Q T 3 S+ 0 0 131 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.701 80.0 91.8 -69.0 -19.3 28.9 34.3 42.5 75 75 A L S < S- 0 0 12 -3,-2.1 2,-0.1 1,-0.1 -3,-0.0 -0.415 89.6-103.4 -73.1 154.3 29.9 33.6 38.9 76 76 A K > - 0 0 125 1,-0.1 4,-2.4 -2,-0.1 3,-0.4 -0.359 29.6-109.8 -71.5 157.9 33.3 34.8 37.7 77 77 A D H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 122.0 51.7 -53.5 -43.4 33.4 37.9 35.5 78 78 A E H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.835 108.9 51.3 -62.6 -35.9 34.5 35.6 32.6 79 79 A E H > S+ 0 0 42 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.869 110.0 47.6 -70.4 -40.0 31.5 33.4 33.2 80 80 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.936 113.5 47.8 -67.7 -45.1 29.0 36.2 33.2 81 81 A A H X S+ 0 0 7 -4,-2.5 4,-2.4 -5,-0.2 22,-0.3 0.937 113.4 50.5 -60.4 -40.8 30.5 37.6 30.0 82 82 A A H X S+ 0 0 18 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.924 111.8 44.2 -63.8 -46.9 30.3 34.1 28.6 83 83 A V H X S+ 0 0 5 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.859 113.3 51.4 -69.4 -32.7 26.7 33.4 29.4 84 84 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.903 110.1 49.3 -68.3 -38.7 25.6 36.8 28.3 85 85 A N H X S+ 0 0 37 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.879 109.5 55.1 -66.3 -33.5 27.4 36.2 25.0 86 86 A H H >X S+ 0 0 31 -4,-2.0 4,-3.3 1,-0.2 3,-1.0 0.951 109.0 43.6 -63.0 -50.8 25.6 32.9 24.9 87 87 A I H 3< S+ 0 0 13 -4,-2.5 4,-0.3 1,-0.2 6,-0.2 0.790 112.7 55.4 -67.9 -21.5 22.1 34.4 25.2 88 88 A A H 3< S+ 0 0 0 -4,-1.6 6,-2.4 -5,-0.2 -1,-0.2 0.679 124.4 21.0 -80.7 -16.1 23.1 37.0 22.7 89 89 A T H X< S+ 0 0 74 -3,-1.0 3,-1.8 -4,-0.9 -2,-0.2 0.691 98.2 83.3-123.5 -27.3 24.1 34.4 20.1 90 90 A A T 3< S+ 0 0 45 -4,-3.3 -3,-0.1 1,-0.3 -2,-0.1 0.761 109.0 27.9 -52.2 -34.3 22.5 31.0 20.7 91 91 A W T 3 S- 0 0 55 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.086 122.8 -95.2-117.5 20.4 19.2 32.1 19.0 92 92 A G S <> S+ 0 0 35 -3,-1.8 4,-0.7 -62,-0.1 3,-0.3 0.605 79.3 134.3 80.4 16.6 20.7 34.6 16.5 93 93 A D T >4 + 0 0 0 -6,-0.2 3,-1.2 1,-0.2 -4,-0.2 0.893 65.2 62.0 -65.9 -38.0 20.2 37.8 18.4 94 94 A A G >4 S+ 0 0 18 -6,-2.4 3,-1.9 1,-0.3 6,-0.4 0.872 98.3 55.4 -56.4 -42.1 23.7 39.2 17.7 95 95 A K G 34 S+ 0 0 196 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.781 106.1 55.2 -61.8 -26.0 23.2 39.3 14.0 96 96 A K G << S+ 0 0 133 -3,-1.2 2,-0.6 -4,-0.7 -1,-0.3 0.393 91.3 83.6 -87.9 1.0 20.2 41.4 14.7 97 97 A V S X S- 0 0 17 -3,-1.9 3,-1.9 -4,-0.2 2,-0.3 -0.919 82.1-129.6-108.7 113.1 22.1 44.0 16.7 98 98 A K T 3 S+ 0 0 200 -2,-0.6 -2,-0.1 1,-0.3 -3,-0.1 -0.446 94.4 2.1 -61.7 122.6 23.8 46.7 14.5 99 99 A G T 3 S- 0 0 64 -2,-0.3 -1,-0.3 1,-0.2 -4,-0.1 0.791 88.9-164.1 71.8 29.7 27.4 46.8 15.7 100 100 A F < - 0 0 41 -3,-1.9 -1,-0.2 -6,-0.4 -6,-0.0 -0.175 1.8-160.8 -48.5 129.4 27.0 44.1 18.3 101 101 A K - 0 0 139 3,-0.0 3,-0.1 0, 0.0 -1,-0.1 -0.969 20.0-119.6-118.2 122.8 29.9 44.1 20.7 102 102 A P - 0 0 69 0, 0.0 2,-0.1 0, 0.0 -20,-0.1 -0.253 31.9-106.1 -59.6 146.0 30.6 41.0 22.8 103 103 A F - 0 0 6 -22,-0.3 2,-0.3 -23,-0.1 -18,-0.1 -0.462 39.3-153.4 -68.0 145.7 30.3 41.3 26.5 104 104 A T > - 0 0 61 -2,-0.1 4,-1.4 1,-0.1 3,-0.2 -0.876 25.5-120.5-123.2 158.7 33.7 41.2 28.2 105 105 A A H > S+ 0 0 30 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.882 113.5 56.9 -61.6 -37.8 34.9 40.2 31.7 106 106 A E H > S+ 0 0 165 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 102.8 53.6 -64.3 -35.4 36.2 43.8 32.3 107 107 A E H > S+ 0 0 48 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.887 111.5 45.8 -63.9 -41.6 32.8 45.3 31.6 108 108 A V H X S+ 0 0 0 -4,-1.4 4,-0.6 2,-0.2 3,-0.4 0.935 110.0 54.0 -65.9 -48.1 31.3 43.0 34.2 109 109 A K H >< S+ 0 0 145 -4,-2.8 3,-1.3 1,-0.2 4,-0.3 0.907 106.2 53.3 -52.8 -45.7 34.1 43.7 36.7 110 110 A K H >< S+ 0 0 159 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.865 105.3 53.6 -59.3 -38.9 33.5 47.5 36.4 111 111 A L H >< S+ 0 0 19 -4,-1.3 3,-1.1 -3,-0.4 4,-0.4 0.539 85.3 83.2 -78.8 -4.9 29.8 47.2 37.2 112 112 A R T << S+ 0 0 76 -3,-1.3 3,-0.4 -4,-0.6 -1,-0.2 0.683 80.8 66.6 -69.1 -18.5 30.5 45.3 40.4 113 113 A A T < S+ 0 0 78 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.737 84.1 77.2 -73.5 -19.2 31.0 48.7 42.1 114 114 A K S < S- 0 0 109 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.853 71.0-168.3 -58.1 -44.4 27.3 49.4 41.6 115 115 A K + 0 0 174 -3,-0.4 2,-0.2 -4,-0.4 -3,-0.1 0.918 22.3 174.0 50.7 57.3 25.9 47.3 44.4 116 116 A L - 0 0 34 -68,-0.1 -1,-0.1 1,-0.0 -2,-0.0 -0.510 31.0-128.3 -95.3 160.6 22.3 47.5 43.3 117 117 A T > - 0 0 61 -2,-0.2 4,-1.9 1,-0.1 3,-0.4 -0.604 36.8-104.1 -95.4 163.9 19.1 45.9 44.6 118 118 A P H > S+ 0 0 26 0, 0.0 4,-1.9 0, 0.0 -63,-0.9 0.806 124.1 56.6 -59.3 -29.5 16.8 44.1 42.1 119 119 A Q H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.871 104.3 50.6 -70.6 -38.0 14.5 47.1 42.4 120 120 A Q H > S+ 0 0 89 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.869 108.0 53.8 -66.2 -34.3 17.3 49.5 41.3 121 121 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.928 107.0 50.9 -65.4 -42.1 17.9 47.1 38.3 122 122 A L H X S+ 0 0 19 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.923 107.4 53.7 -59.9 -42.0 14.2 47.5 37.4 123 123 A A H X S+ 0 0 45 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.889 108.0 50.7 -58.5 -37.8 14.6 51.3 37.6 124 124 A E H < S+ 0 0 64 -4,-1.9 3,-0.5 1,-0.2 4,-0.4 0.898 107.8 53.1 -65.4 -39.0 17.5 50.9 35.2 125 125 A R H >X S+ 0 0 21 -4,-2.1 3,-1.8 1,-0.2 4,-0.5 0.911 103.0 57.2 -61.9 -44.3 15.3 48.9 32.8 126 126 A K H >< S+ 0 0 148 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.779 99.7 59.9 -60.0 -27.0 12.6 51.6 32.8 127 127 A K T 3< S+ 0 0 146 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.591 90.7 70.4 -76.7 -12.9 15.2 54.1 31.5 128 128 A L T <4 S- 0 0 20 -3,-1.8 -1,-0.2 -4,-0.4 -88,-0.2 0.783 96.7-134.6 -75.1 -26.3 15.8 52.0 28.4 129 129 A G << + 0 0 50 -3,-0.6 -3,-0.1 -4,-0.5 -2,-0.1 0.947 50.3 148.7 71.6 49.6 12.4 52.8 26.9 130 130 A L 0 0 34 -5,-0.4 -4,-0.1 1,-0.2 -70,-0.0 0.982 360.0 360.0 -76.1 -79.9 11.6 49.2 25.9 131 131 A K 0 0 154 -72,-0.1 -1,-0.2 -70,-0.0 -2,-0.1 -0.657 360.0 360.0-150.3 360.0 7.8 48.6 26.0