==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-SEP-03 1QYZ . COMPND 2 MOLECULE: CYTOCHROME C-552; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.A.FEE,T.R.TODARO,E.LUNA,D.SANDERS,L.M.HUNSICKER-WANG, . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 62.3 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 . 9 6.9 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 33.8 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+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 0 1 1 0 1 0 1 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A A 0 0 93 0, 0.0 2,-0.8 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 153.5 39.2 19.9 15.5 2 3 A D > - 0 0 70 1,-0.2 4,-2.3 2,-0.0 3,-0.3 -0.865 360.0-168.8-102.0 103.4 38.8 17.4 18.3 3 4 A G H > S+ 0 0 9 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.833 84.2 57.6 -65.5 -32.1 35.3 17.7 19.7 4 5 A A H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 109.7 44.3 -64.9 -40.1 36.0 15.5 22.7 5 6 A K H > S+ 0 0 129 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.889 114.2 49.0 -72.9 -40.3 38.9 17.8 23.9 6 7 A I H < S+ 0 0 25 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.958 111.7 49.9 -61.7 -46.5 36.9 21.0 23.2 7 8 A Y H >< S+ 0 0 7 -4,-2.9 3,-1.9 1,-0.2 4,-0.4 0.902 106.6 55.7 -56.2 -43.9 34.0 19.5 25.2 8 9 A A H >< S+ 0 0 45 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.931 102.2 56.9 -51.9 -48.6 36.2 18.6 28.1 9 10 A Q T 3< S+ 0 0 159 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.490 119.7 29.1 -70.0 -3.7 37.4 22.2 28.3 10 11 A C T X S+ 0 0 46 -3,-1.9 3,-0.6 -4,-0.3 4,-0.4 -0.011 87.6 106.1-140.7 26.1 33.7 23.4 28.8 11 12 A A T <> + 0 0 7 -3,-1.2 4,-1.8 -4,-0.4 7,-0.1 0.467 41.1 106.6 -88.2 8.8 32.0 20.4 30.5 12 13 A G T 34 S+ 0 0 67 2,-0.2 -1,-0.2 1,-0.1 4,-0.1 0.643 88.5 34.8 -75.4 -9.1 31.8 21.9 34.0 13 14 A C T <4 S+ 0 0 56 -3,-0.6 12,-0.2 2,-0.1 -1,-0.1 0.833 127.1 31.6-101.5 -61.0 28.0 22.4 33.7 14 15 A H T 4 S- 0 0 37 -4,-0.4 6,-2.6 6,-0.1 14,-0.3 0.592 111.8-128.2 -79.0 -9.9 26.6 19.6 31.6 15 16 A Q >< - 0 0 61 -4,-1.8 3,-1.9 3,-0.2 -3,-0.1 0.317 21.3 -83.0 81.7 155.5 29.4 17.2 33.0 16 17 A Q T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.839 133.1 49.4 -60.6 -30.3 31.9 15.0 31.3 17 18 A N T 3 S- 0 0 75 -6,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.372 108.1-128.5 -87.7 2.6 29.2 12.3 31.1 18 19 A G S < S+ 0 0 0 -3,-1.9 10,-2.7 -7,-0.1 11,-2.5 0.587 75.7 119.8 61.7 15.5 26.7 14.8 29.6 19 20 A Q - 0 0 129 8,-0.2 -4,-0.2 1,-0.2 -1,-0.1 0.545 59.8-153.6 -87.6 -3.3 24.0 13.9 32.1 20 21 A G - 0 0 9 -6,-2.6 -1,-0.2 6,-0.2 -6,-0.1 -0.176 24.0 -71.9 67.6-167.6 23.8 17.4 33.6 21 22 A I B >> -A 25 0A 71 4,-2.1 4,-2.0 -6,-0.0 3,-2.0 -0.980 54.6-104.8-131.9 115.1 22.8 18.5 37.1 22 23 A P T 34 S- 0 0 102 0, 0.0 -2,-0.1 0, 0.0 42,-0.0 -0.132 99.9 -2.1 -48.2 128.1 19.1 18.2 37.9 23 24 A G T 34 S+ 0 0 39 1,-0.2 42,-0.4 2,-0.0 -3,-0.0 0.097 133.9 57.5 80.8 -21.4 17.4 21.6 38.0 24 25 A A T <4 S+ 0 0 47 -3,-2.0 -1,-0.2 1,-0.3 41,-0.1 0.881 112.1 15.9-106.5 -59.9 20.6 23.4 37.2 25 26 A F B < S-A 21 0A 79 -4,-2.0 -4,-2.1 -12,-0.2 -1,-0.3 -0.981 82.1-125.7-122.9 119.0 22.2 22.3 34.0 26 27 A P - 0 0 28 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.252 29.0-100.3 -70.4 154.5 20.1 20.2 31.6 27 28 A P - 0 0 18 0, 0.0 -8,-0.2 0, 0.0 -12,-0.1 -0.423 28.0-175.3 -66.2 144.7 21.2 16.8 30.3 28 29 A L >> + 0 0 26 -10,-2.7 4,-2.4 -14,-0.3 3,-2.2 0.712 64.6 86.7 -99.4 -47.9 22.7 16.5 26.9 29 30 A A T 34 S+ 0 0 17 -11,-2.5 58,-0.1 1,-0.3 62,-0.1 -0.349 110.2 3.3 -52.6 126.4 23.0 12.7 26.9 30 31 A G T 34 S+ 0 0 25 1,-0.1 -1,-0.3 -2,-0.1 4,-0.2 0.350 125.2 72.3 74.8 -6.3 19.7 11.3 25.6 31 32 A H T <> S+ 0 0 12 -3,-2.2 4,-1.6 2,-0.1 3,-0.2 0.682 77.9 68.7-111.8 -27.7 18.3 14.8 25.0 32 33 A V H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.924 98.7 55.6 -56.7 -38.9 20.3 15.8 21.9 33 34 A A H > S+ 0 0 8 -5,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.895 102.4 55.9 -62.0 -36.4 18.4 13.2 20.0 34 35 A E H 4 S+ 0 0 83 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.837 112.2 42.0 -62.6 -38.0 15.1 14.8 21.0 35 36 A I H >< S+ 0 0 10 -4,-1.6 3,-2.0 -3,-0.3 -2,-0.2 0.934 111.9 53.1 -76.9 -45.1 16.2 18.1 19.6 36 37 A L H 3< S+ 0 0 22 -4,-2.9 6,-0.3 1,-0.3 5,-0.2 0.798 99.4 65.5 -59.3 -27.9 17.7 16.6 16.4 37 38 A A T 3< S+ 0 0 72 -4,-1.7 2,-0.3 -5,-0.3 -1,-0.3 0.632 89.3 85.6 -71.4 -12.8 14.4 14.8 15.8 38 39 A K S X S- 0 0 82 -3,-2.0 3,-2.3 -4,-0.2 2,-0.4 -0.692 93.8-104.8 -90.1 143.4 12.7 18.2 15.3 39 40 A E T 3 S+ 0 0 192 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 -0.577 114.7 18.2 -58.7 115.8 12.6 20.1 12.0 40 41 A G T 3> S+ 0 0 32 -2,-0.4 4,-2.1 -4,-0.1 -1,-0.3 0.357 90.6 123.1 95.9 0.5 15.2 22.9 12.6 41 42 A G H <> + 0 0 1 -3,-2.3 4,-2.0 -5,-0.2 -5,-0.2 0.892 69.7 50.6 -63.6 -40.9 16.8 21.1 15.5 42 43 A R H > S+ 0 0 50 -4,-0.4 4,-1.5 -6,-0.3 -1,-0.2 0.932 110.9 49.2 -69.2 -35.9 20.3 21.0 14.1 43 44 A E H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 108.5 54.9 -64.0 -42.2 20.3 24.7 13.3 44 45 A Y H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.894 104.5 53.0 -57.2 -45.8 19.0 25.4 16.9 45 46 A L H X S+ 0 0 12 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.894 109.8 48.7 -60.4 -39.9 22.0 23.5 18.4 46 47 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.924 109.4 53.1 -64.6 -42.0 24.4 25.6 16.4 47 48 A L H X S+ 0 0 14 -4,-2.4 4,-3.0 1,-0.2 5,-0.5 0.881 104.6 54.8 -62.9 -38.6 22.6 28.8 17.5 48 49 A V H X S+ 0 0 15 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.939 112.1 44.0 -59.6 -43.5 22.9 27.9 21.2 49 50 A L H < S+ 0 0 24 -4,-1.6 22,-3.0 1,-0.2 -2,-0.2 0.881 119.5 42.0 -72.1 -36.3 26.6 27.5 20.8 50 51 A L H < S+ 0 0 0 -4,-2.4 22,-0.5 20,-0.2 -2,-0.2 0.875 134.0 14.5 -73.0 -39.2 27.0 30.7 18.7 51 52 A Y H < S- 0 0 19 -4,-3.0 19,-0.4 1,-0.2 -3,-0.2 0.516 95.6-127.5-124.6 -7.6 24.7 33.0 20.7 52 53 A G < - 0 0 0 -4,-2.3 2,-0.3 -5,-0.5 -1,-0.2 -0.277 22.0-108.4 83.8-174.5 23.8 31.4 24.1 53 54 A L E +B 68 0B 22 15,-1.9 15,-2.7 67,-0.1 2,-0.3 -0.983 29.4 170.4-156.6 147.3 20.4 30.7 25.7 54 55 A Q E +B 67 0B 63 63,-0.7 13,-0.2 -2,-0.3 2,-0.1 -0.946 33.7 70.2-150.1 169.8 18.1 32.0 28.5 55 56 A G S S- 0 0 18 11,-0.7 11,-0.5 -2,-0.3 2,-0.3 -0.141 82.4 -51.5 107.4 161.6 14.6 31.5 29.6 56 57 A Q + 0 0 99 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.582 62.1 165.8 -73.3 129.5 12.4 28.9 31.2 57 58 A I E -C 64 0C 13 7,-2.2 7,-2.9 -2,-0.3 2,-0.4 -0.903 29.8-131.1-136.0 163.3 12.6 25.5 29.4 58 59 A E E +C 63 0C 66 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.968 21.1 177.9-118.1 136.1 11.6 21.9 30.1 59 60 A V E > S-C 62 0C 3 3,-2.4 3,-1.9 -2,-0.4 -28,-0.0 -0.967 74.8 -15.7-139.1 120.3 13.9 18.9 29.6 60 61 A K T 3 S- 0 0 106 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.879 128.6 -54.9 51.1 40.0 12.9 15.3 30.5 61 62 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.432 114.5 113.7 80.8 -0.9 10.0 16.8 32.5 62 63 A M E < -C 59 0C 77 -3,-1.9 -3,-2.4 1,-0.0 2,-0.3 -0.841 64.2-122.9-103.6 142.3 12.1 19.0 34.7 63 64 A K E -C 58 0C 134 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.619 24.9-173.6 -83.6 136.5 12.1 22.8 34.6 64 65 A Y E +C 57 0C 12 -7,-2.9 -7,-2.2 -2,-0.3 -40,-0.1 -0.966 14.1 173.1-121.9 145.2 15.2 24.9 33.9 65 66 A N + 0 0 122 -42,-0.4 -9,-0.2 -2,-0.4 2,-0.1 -0.375 41.5 116.0-147.9 62.5 15.5 28.7 34.2 66 67 A G - 0 0 41 -11,-0.5 -11,-0.7 -42,-0.0 2,-0.4 -0.392 56.5-110.3-118.0-166.3 19.1 29.4 33.7 67 68 A V E -B 54 0B 117 -13,-0.2 2,-0.4 -2,-0.1 -13,-0.2 -0.983 16.7-166.5-131.3 140.3 21.6 31.2 31.4 68 69 A M E -B 53 0B 48 -15,-2.7 -15,-1.9 -2,-0.4 2,-0.1 -0.999 21.6-129.9-125.3 136.4 24.2 29.9 29.0 69 70 A S - 0 0 86 -2,-0.4 -17,-0.4 -17,-0.2 2,-0.1 -0.321 28.4 -95.6 -75.1 159.8 26.9 32.1 27.4 70 71 A S - 0 0 43 -19,-0.4 -20,-0.2 -20,-0.1 -19,-0.2 -0.448 22.8-162.9 -63.8 147.2 27.8 32.3 23.8 71 72 A F > + 0 0 52 -22,-3.0 3,-2.2 -23,-0.2 -21,-0.1 -0.202 45.4 132.1-121.5 34.6 30.8 30.2 22.6 72 73 A A T 3 + 0 0 32 -22,-0.5 -22,-0.1 1,-0.3 -1,-0.1 0.631 56.1 78.6 -67.4 -11.4 31.3 32.2 19.4 73 74 A Q T 3 S+ 0 0 131 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.718 78.0 90.6 -69.6 -16.4 35.0 32.4 20.1 74 75 A L S < S- 0 0 27 -3,-2.2 -3,-0.1 -25,-0.2 5,-0.0 -0.577 87.6-116.6 -72.8 141.2 35.1 28.8 18.9 75 76 A K > - 0 0 121 -2,-0.2 4,-2.7 1,-0.1 3,-0.3 -0.279 28.5-100.3 -74.5 167.4 35.8 28.6 15.2 76 77 A D H > S+ 0 0 29 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.895 125.9 47.6 -53.4 -43.6 33.2 27.2 12.8 77 78 A E H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.826 111.0 51.6 -68.5 -32.6 35.1 23.8 12.7 78 79 A E H > S+ 0 0 59 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.884 109.6 48.4 -74.2 -38.6 35.4 23.8 16.5 79 80 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.938 112.3 50.1 -64.6 -44.5 31.6 24.4 17.0 80 81 A A H X S+ 0 0 6 -4,-2.3 4,-2.4 -5,-0.3 22,-0.3 0.928 111.0 50.4 -55.6 -44.1 30.9 21.6 14.4 81 82 A A H X S+ 0 0 13 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.911 109.9 46.8 -66.3 -43.1 33.3 19.3 16.3 82 83 A V H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.896 112.0 51.8 -70.6 -30.8 31.8 19.8 19.8 83 84 A L H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.913 108.3 51.1 -68.6 -39.0 28.3 19.3 18.4 84 85 A N H X S+ 0 0 37 -4,-2.4 4,-1.1 -5,-0.2 5,-0.2 0.883 109.6 52.9 -63.8 -35.5 29.4 16.0 16.7 85 86 A H H >X S+ 0 0 33 -4,-2.1 4,-3.1 1,-0.2 3,-0.8 0.964 111.1 42.6 -61.0 -51.3 30.8 15.0 20.1 86 87 A I H 3< S+ 0 0 13 -4,-2.4 4,-0.3 1,-0.3 6,-0.3 0.809 114.3 53.6 -70.8 -22.7 27.5 15.7 22.1 87 88 A A H 3< S+ 0 0 0 -4,-2.0 6,-2.6 -5,-0.2 -1,-0.3 0.711 124.7 22.3 -79.4 -19.9 25.5 14.0 19.3 88 89 A T H X< S+ 0 0 80 -4,-1.1 3,-1.3 -3,-0.8 -2,-0.2 0.710 100.6 77.9-118.8 -27.0 27.6 10.8 19.3 89 90 A A T 3< S+ 0 0 46 -4,-3.1 -3,-0.1 1,-0.3 -2,-0.1 0.770 109.7 30.5 -62.2 -29.2 29.4 10.3 22.7 90 91 A W T 3 S- 0 0 70 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.1 0.178 119.6-100.0-118.6 17.9 26.3 9.1 24.5 91 92 A G S X S+ 0 0 23 -3,-1.3 3,-0.7 -62,-0.1 4,-0.3 0.575 77.4 135.1 82.1 15.9 24.5 7.4 21.5 92 93 A D G > + 0 0 0 -6,-0.3 3,-2.0 1,-0.2 4,-0.3 0.928 67.4 55.2 -67.0 -39.9 22.1 10.1 20.6 93 94 A A G > S+ 0 0 19 -6,-2.6 3,-1.3 1,-0.3 6,-0.3 0.752 93.2 72.2 -66.6 -20.5 22.6 10.1 16.8 94 95 A K G < S+ 0 0 196 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.615 95.4 54.8 -68.4 -12.0 21.8 6.4 16.7 95 96 A K G < S+ 0 0 127 -3,-2.0 2,-0.6 -4,-0.3 -1,-0.3 0.573 94.9 72.4 -96.6 -9.6 18.2 7.4 17.4 96 97 A V S X S- 0 0 26 -3,-1.3 3,-1.3 -4,-0.3 -1,-0.1 -0.891 77.2-133.0-115.4 126.3 17.7 9.8 14.5 97 98 A K T 3 S+ 0 0 211 -2,-0.6 -2,-0.0 1,-0.2 -3,-0.0 -0.395 87.3 14.8 -67.5 143.0 17.4 8.5 10.9 98 99 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.2 -2,-0.1 2,-0.2 0.545 81.7 162.3 73.0 10.3 19.4 10.3 8.3 99 100 A F < - 0 0 45 -3,-1.3 -1,-0.2 -6,-0.3 -3,-0.0 -0.453 16.0-170.9 -63.0 135.3 21.7 12.2 10.7 100 101 A K - 0 0 140 -2,-0.2 3,-0.1 1,-0.0 -1,-0.0 -0.938 32.8 -90.7-124.1 141.8 24.8 13.5 9.1 101 102 A P - 0 0 83 0, 0.0 2,-0.1 0, 0.0 -20,-0.1 -0.146 47.7 -97.8 -54.6 148.4 27.7 15.0 11.0 102 103 A F - 0 0 8 -22,-0.3 2,-0.3 -23,-0.1 -18,-0.1 -0.459 43.4-153.9 -65.2 142.1 27.7 18.8 11.7 103 104 A T >> - 0 0 68 -2,-0.1 4,-1.2 -3,-0.1 3,-0.9 -0.892 25.1-118.5-126.3 152.8 29.9 20.8 9.2 104 105 A A H 3> S+ 0 0 35 -2,-0.3 4,-2.7 1,-0.3 3,-0.2 0.821 111.6 59.9 -58.2 -35.9 31.7 24.1 9.3 105 106 A E H 3> S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.853 100.0 55.8 -66.3 -32.7 29.6 25.6 6.5 106 107 A E H <> S+ 0 0 28 -3,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.883 111.8 43.6 -61.2 -38.8 26.4 25.1 8.6 107 108 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 5,-0.2 0.932 110.1 55.2 -74.0 -42.7 28.0 27.1 11.4 108 109 A K H X S+ 0 0 117 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.907 106.2 52.4 -54.1 -46.2 29.4 29.8 9.0 109 110 A K H < S+ 0 0 125 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.883 112.5 44.0 -59.3 -40.7 25.9 30.4 7.5 110 111 A L H >< S+ 0 0 33 -4,-1.3 3,-1.3 1,-0.2 -1,-0.2 0.765 104.2 62.5 -81.9 -22.4 24.3 30.9 11.0 111 112 A R H 3< S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.735 90.9 72.3 -68.6 -18.8 27.2 33.2 12.3 112 113 A A T 3< S+ 0 0 89 -4,-0.8 2,-0.4 -3,-0.3 -1,-0.2 0.595 97.1 48.6 -77.3 -9.0 26.2 35.6 9.5 113 114 A K S < S- 0 0 154 -3,-1.3 -1,-0.2 -4,-0.1 2,-0.1 -0.861 85.8-145.9-132.8 94.5 23.0 36.6 11.3 114 115 A K - 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