==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUL-11 3T2Z . COMPND 2 MOLECULE: SULFIDE-QUINONE REDUCTASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDITHIOBACILLUS FERROOXIDANS; . AUTHOR M.M.CHERNEY,Y.ZHANG,M.SOLOMONSON,J.H.WEINER,M.N.JAMES . 854 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 59 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 3 0 0 0 1 1 1 3 0 0 0 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 5 5 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 . 6 0 6 2 0 4 4 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 . 4 8 0 2 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 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 S 0 0 121 0, 0.0 28,-0.4 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 139.4 52.4 75.0 41.9 2 2 A A - 0 0 14 26,-0.1 2,-0.5 1,-0.1 27,-0.2 0.086 360.0-144.6 -47.9 133.2 53.3 75.5 45.6 3 3 A H - 0 0 22 25,-0.1 96,-3.0 27,-0.0 97,-1.9 -0.869 15.0-156.7 -96.2 122.1 52.4 72.8 48.2 4 4 A V E -ab 30 100A 0 25,-2.6 27,-2.7 -2,-0.5 2,-0.5 -0.889 5.8-165.0-106.0 127.5 51.5 74.3 51.6 5 5 A V E -ab 31 101A 0 95,-2.9 97,-3.3 -2,-0.5 2,-0.5 -0.931 5.4-160.8-114.8 127.9 51.8 72.2 54.7 6 6 A I E -ab 32 102A 0 25,-3.2 27,-2.8 -2,-0.5 2,-0.8 -0.946 8.7-153.9-106.6 123.9 50.2 73.1 58.1 7 7 A L E +ab 33 103A 8 95,-2.7 97,-2.9 -2,-0.5 27,-0.2 -0.867 65.3 26.9-101.0 104.6 51.7 71.3 61.1 8 8 A G - 0 0 8 25,-3.3 2,-0.8 -2,-0.8 26,-0.2 0.369 60.1-140.5 114.0 116.8 49.2 71.0 63.9 9 9 A A + 0 0 8 4,-0.2 2,-0.1 27,-0.1 -1,-0.1 -0.514 63.3 112.2-100.7 64.1 45.4 70.8 63.8 10 10 A G S > S- 0 0 27 -2,-0.8 4,-2.0 94,-0.4 31,-0.1 -0.198 88.5 -53.4-112.8-154.1 44.7 72.9 66.9 11 11 A T T 4 S+ 0 0 35 1,-0.2 290,-0.1 2,-0.2 -3,-0.0 0.846 140.4 27.6 -54.9 -36.9 43.1 76.3 67.6 12 12 A G T > S+ 0 0 7 92,-0.2 4,-1.8 288,-0.1 -1,-0.2 0.902 121.6 50.3 -89.5 -48.1 45.4 77.9 65.1 13 13 A G H > S+ 0 0 0 91,-0.4 4,-2.2 2,-0.2 -4,-0.2 0.837 104.6 53.1 -66.2 -42.3 46.2 75.1 62.7 14 14 A M H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.976 114.3 42.1 -61.1 -54.6 42.7 73.8 61.8 15 15 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.897 111.7 58.8 -57.7 -34.3 41.4 77.2 60.8 16 16 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.890 104.3 49.4 -63.5 -37.7 44.8 77.8 59.1 17 17 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -3,-0.3 5,-0.2 0.931 113.3 45.7 -67.4 -44.8 44.2 74.7 56.8 18 18 A Y H X S+ 0 0 4 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.932 116.0 46.6 -61.3 -46.0 40.7 75.9 55.9 19 19 A E H X S+ 0 0 1 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.872 112.0 50.3 -66.0 -36.2 41.9 79.4 55.3 20 20 A M H X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.944 113.1 45.1 -68.3 -45.7 44.9 78.3 53.2 21 21 A K H X S+ 0 0 25 -4,-2.3 4,-2.4 1,-0.2 3,-0.5 0.925 113.3 50.3 -63.4 -47.5 42.9 76.0 51.0 22 22 A E H < S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.899 113.2 46.7 -55.0 -42.9 40.2 78.6 50.5 23 23 A A H < S+ 0 0 19 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.717 119.2 38.7 -74.2 -21.3 42.8 81.3 49.6 24 24 A L H < S- 0 0 22 -4,-1.2 3,-0.4 -3,-0.5 -2,-0.2 0.668 94.6-150.4-109.9 -22.8 44.7 79.1 47.2 25 25 A G >< - 0 0 34 -4,-2.4 3,-1.3 1,-0.2 -1,-0.1 -0.109 44.6 -48.4 79.0-176.1 42.0 77.1 45.4 26 26 A S T 3 S+ 0 0 122 1,-0.3 -1,-0.2 -4,-0.1 -4,-0.0 0.672 122.7 74.3 -71.1 -18.7 42.1 73.7 43.8 27 27 A G T 3 S+ 0 0 49 -3,-0.4 2,-0.4 2,-0.0 -1,-0.3 0.492 92.1 61.8 -73.6 -3.3 45.3 74.3 42.0 28 28 A H S < S- 0 0 41 -3,-1.3 2,-0.3 -7,-0.1 -25,-0.1 -0.986 80.3-127.4-127.7 133.4 47.4 74.1 45.1 29 29 A E - 0 0 82 -2,-0.4 -25,-2.6 -28,-0.4 2,-0.5 -0.576 22.7-168.9 -71.7 130.2 47.9 71.1 47.5 30 30 A V E -a 4 0A 0 40,-0.4 42,-2.8 -2,-0.3 2,-0.5 -0.981 4.7-168.3-121.9 118.8 47.2 71.9 51.1 31 31 A T E -ac 5 72A 3 -27,-2.7 -25,-3.2 -2,-0.5 2,-0.6 -0.920 8.3-161.1-111.6 128.7 48.2 69.3 53.6 32 32 A L E -ac 6 73A 0 40,-3.0 42,-2.8 -2,-0.5 2,-0.5 -0.950 10.5-171.0-107.4 120.2 47.2 69.3 57.3 33 33 A I E +ac 7 74A 0 -27,-2.8 -25,-3.3 -2,-0.6 2,-0.3 -0.944 11.8 165.4-111.5 128.9 49.4 67.1 59.6 34 34 A S E - c 0 75A 16 40,-2.5 42,-0.7 -2,-0.5 -2,-0.0 -0.998 42.2-132.4-147.0 148.8 48.4 66.4 63.2 35 35 A A S S+ 0 0 62 -2,-0.3 2,-0.3 40,-0.2 42,-0.3 0.759 95.6 44.0 -64.6 -31.9 49.4 64.0 66.0 36 36 A N S S- 0 0 66 2,-0.2 40,-0.2 40,-0.2 -27,-0.1 -0.808 74.2-136.7-113.2 159.0 45.7 63.2 66.8 37 37 A D S S+ 0 0 92 -2,-0.3 25,-2.7 38,-0.2 26,-0.5 0.377 85.3 67.5 -93.7 5.5 42.9 62.4 64.4 38 38 A Y E S-F 61 0B 34 23,-0.3 2,-0.4 24,-0.1 -2,-0.2 -0.901 73.6-133.2-123.3 152.0 40.5 64.6 66.4 39 39 A F E -F 60 0B 0 21,-3.0 21,-1.9 -2,-0.3 2,-0.4 -0.804 23.8-162.1 -90.7 144.4 40.2 68.3 67.2 40 40 A Q E -F 59 0B 24 -2,-0.4 2,-1.4 19,-0.2 19,-0.2 -0.991 22.9-128.7-127.7 138.7 39.6 69.2 70.8 41 41 A F > - 0 0 6 17,-2.6 3,-2.3 -2,-0.4 4,-0.3 -0.688 27.9-163.0 -85.3 92.2 38.3 72.5 72.1 42 42 A V G > S+ 0 0 66 -2,-1.4 3,-2.5 1,-0.3 -1,-0.2 0.794 78.2 62.5 -49.7 -44.5 41.1 73.1 74.6 43 43 A P G 3 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.615 98.2 59.7 -64.7 -8.8 39.4 75.8 76.8 44 44 A S G <> S+ 0 0 2 -3,-2.3 4,-1.5 1,-0.2 3,-0.5 0.511 79.3 92.5 -90.4 -6.2 36.7 73.3 77.8 45 45 A N H <> S+ 0 0 0 -3,-2.5 4,-2.5 -4,-0.3 5,-0.2 0.865 76.0 59.5 -59.7 -39.1 39.3 70.9 79.3 46 46 A P H 4 S+ 0 0 6 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.919 106.6 49.3 -56.8 -39.2 39.1 72.3 82.8 47 47 A W H >4>S+ 0 0 30 -3,-0.5 5,-2.1 -4,-0.2 6,-1.1 0.850 108.0 52.6 -65.7 -35.4 35.4 71.3 82.8 48 48 A V H ><5S+ 0 0 4 -4,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.915 103.5 60.2 -62.2 -39.3 36.2 67.8 81.6 49 49 A G T 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.542 110.4 39.4 -67.5 -9.4 38.7 67.6 84.5 50 50 A V T < 5S- 0 0 1 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.298 117.4-107.3-120.9 5.5 35.9 68.1 87.0 51 51 A G T < 5S+ 0 0 21 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.550 88.1 117.4 83.1 8.7 33.3 66.0 85.2 52 52 A W S > - 0 0 109 -2,-0.3 3,-2.4 1,-0.1 4,-0.7 -0.818 28.9-111.1-109.9 153.3 32.7 64.8 78.5 55 55 A R H >> S+ 0 0 73 -2,-0.3 3,-1.6 1,-0.3 4,-1.2 0.869 116.9 56.2 -43.3 -47.9 35.3 64.2 75.8 56 56 A D H 34 S+ 0 0 127 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.492 98.6 62.5 -76.7 2.0 32.7 63.8 73.1 57 57 A D H <4 S+ 0 0 86 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.687 118.8 24.8 -85.2 -23.0 31.2 67.2 73.9 58 58 A I H << S+ 0 0 0 -3,-1.6 -17,-2.6 -4,-0.7 2,-0.3 0.376 114.8 62.8-128.3 0.6 34.4 68.9 73.0 59 59 A A E < +F 40 0B 18 -4,-1.2 -19,-0.2 -19,-0.2 -1,-0.1 -0.967 49.5 169.4-133.8 148.1 36.3 66.7 70.5 60 60 A F E -F 39 0B 14 -21,-1.9 -21,-3.0 -2,-0.3 2,-0.2 -0.992 41.3 -89.7-154.7 153.0 35.5 65.3 67.0 61 61 A P E -F 38 0B 87 0, 0.0 4,-0.4 0, 0.0 -23,-0.3 -0.431 31.3-159.6 -65.1 133.1 37.3 63.5 64.2 62 62 A I >> + 0 0 0 -25,-2.7 4,-1.6 -2,-0.2 3,-0.7 0.874 68.0 80.8 -81.5 -42.5 38.9 65.9 61.7 63 63 A R H >> S+ 0 0 110 -26,-0.5 4,-2.6 1,-0.3 3,-0.6 0.814 92.5 44.2 -42.2 -63.8 39.3 63.8 58.5 64 64 A H H 3> S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.892 113.6 51.9 -51.1 -43.1 35.9 64.0 56.9 65 65 A Y H <4 S+ 0 0 64 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.833 116.2 36.3 -71.1 -32.4 35.5 67.7 57.6 66 66 A V H X<>S+ 0 0 0 -4,-1.6 5,-2.2 -3,-0.6 3,-1.3 0.829 113.9 56.5 -87.4 -31.6 38.8 68.9 56.0 67 67 A E H ><5S+ 0 0 92 -4,-2.6 3,-2.8 -5,-0.3 -2,-0.2 0.907 98.0 61.2 -67.1 -38.1 38.8 66.4 53.2 68 68 A R T 3<5S+ 0 0 141 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.1 0.592 105.0 51.6 -63.4 -6.6 35.4 67.6 52.0 69 69 A K T < 5S- 0 0 89 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.330 126.0-103.2-110.5 3.7 37.2 70.9 51.5 70 70 A G T < 5S+ 0 0 35 -3,-2.8 -40,-0.4 1,-0.3 2,-0.4 0.592 74.8 140.3 88.3 12.9 40.0 69.4 49.5 71 71 A I < - 0 0 1 -5,-2.2 2,-0.7 -8,-0.1 -1,-0.3 -0.726 51.8-129.6 -90.8 135.5 42.5 69.4 52.3 72 72 A H E -c 31 0A 94 -42,-2.8 -40,-3.0 -2,-0.4 2,-0.4 -0.764 26.8-158.0 -86.9 116.8 44.8 66.4 52.6 73 73 A F E -c 32 0A 10 -2,-0.7 2,-0.5 -42,-0.2 -40,-0.2 -0.780 14.2-173.7-100.1 133.5 44.8 65.2 56.2 74 74 A I E -c 33 0A 47 -42,-2.8 -40,-2.5 -2,-0.4 2,-2.0 -0.929 11.1-160.0-124.9 107.7 47.5 63.1 57.8 75 75 A A E +c 34 0A 39 -2,-0.5 2,-0.3 -42,-0.2 -40,-0.2 -0.546 57.2 107.1 -83.8 74.3 46.7 61.9 61.3 76 76 A Q S S- 0 0 50 -2,-2.0 2,-0.4 -42,-0.7 -40,-0.2 -0.988 70.9-110.6-150.0 150.8 50.3 61.3 62.2 77 77 A S - 0 0 44 -2,-0.3 14,-1.9 -42,-0.3 2,-0.6 -0.679 28.4-124.0 -86.4 136.7 52.9 62.9 64.4 78 78 A A E +G 90 0C 14 -2,-0.4 191,-0.3 12,-0.2 12,-0.3 -0.709 27.8 178.9 -77.0 122.2 55.8 64.8 62.8 79 79 A E E + 0 0 117 10,-2.9 2,-0.3 -2,-0.6 11,-0.2 0.691 65.4 16.2 -94.7 -24.2 59.1 63.3 64.2 80 80 A Q E -G 89 0C 110 9,-1.5 9,-1.7 2,-0.0 2,-0.5 -0.998 54.0-156.3-151.2 146.8 61.5 65.5 62.3 81 81 A I E -G 88 0C 12 188,-0.4 2,-0.9 -2,-0.3 7,-0.2 -0.971 6.8-166.7-126.4 115.8 61.6 68.6 60.2 82 82 A D E >> -G 87 0C 61 5,-2.7 5,-1.6 -2,-0.5 4,-1.1 -0.865 6.2-174.4-100.6 98.1 64.4 68.9 57.6 83 83 A A T 45S+ 0 0 8 -2,-0.9 -1,-0.2 2,-0.2 213,-0.1 0.758 79.2 51.8 -71.4 -27.7 64.3 72.6 56.7 84 84 A E T 45S+ 0 0 161 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.966 118.5 35.5 -71.5 -53.4 66.9 72.4 54.0 85 85 A A T 45S- 0 0 38 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.611 105.0-134.6 -74.2 -11.2 65.3 69.5 52.2 86 86 A Q T <5 + 0 0 50 -4,-1.1 12,-2.5 1,-0.2 2,-0.3 0.885 60.0 128.5 57.2 39.6 61.8 71.0 53.1 87 87 A N E < -GH 82 97C 37 -5,-1.6 -5,-2.7 10,-0.2 2,-0.5 -0.945 49.6-146.7-123.9 154.7 60.5 67.6 54.2 88 88 A I E -GH 81 96C 0 8,-2.7 8,-2.2 -2,-0.3 2,-0.5 -0.974 12.8-144.0-117.3 123.9 58.8 66.4 57.3 89 89 A T E -GH 80 95C 37 -9,-1.7 -10,-2.9 -2,-0.5 -9,-1.5 -0.777 18.1-152.4 -90.1 125.4 59.3 62.9 58.6 90 90 A L E > -G 78 0C 5 4,-3.2 3,-2.4 -2,-0.5 -12,-0.2 -0.535 29.8-100.9 -96.5 163.4 56.2 61.2 60.1 91 91 A A T 3 S+ 0 0 55 -14,-1.9 -13,-0.1 1,-0.3 -1,-0.1 0.785 120.2 53.5 -54.6 -34.0 56.0 58.6 62.8 92 92 A D T 3 S- 0 0 81 -15,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.369 122.6-100.9 -86.4 5.1 55.3 55.8 60.3 93 93 A G S < S+ 0 0 54 -3,-2.4 -2,-0.1 1,-0.3 2,-0.1 0.291 82.4 127.6 96.1 -12.5 58.4 56.7 58.2 94 94 A N - 0 0 98 -5,-0.1 -4,-3.2 1,-0.0 -1,-0.3 -0.343 45.7-147.7 -67.9 158.3 56.5 58.6 55.5 95 95 A T E -H 89 0C 80 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.954 4.8-149.4-129.3 152.3 57.7 62.1 54.6 96 96 A V E -H 88 0C 14 -8,-2.2 -8,-2.7 -2,-0.3 2,-0.4 -0.972 11.3-148.8-120.1 133.1 55.8 65.1 53.4 97 97 A H E -H 87 0C 97 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.793 18.3-172.3 -97.9 144.7 57.4 67.7 51.1 98 98 A Y - 0 0 0 -12,-2.5 -94,-0.2 -2,-0.4 3,-0.2 -0.966 33.6-165.1-133.6 155.8 56.5 71.4 51.3 99 99 A D S S+ 0 0 58 -96,-3.0 2,-0.4 1,-0.4 -95,-0.2 0.712 96.4 18.5 -97.4 -37.5 57.1 74.6 49.5 100 100 A Y E S-b 4 0A 27 -97,-1.9 -95,-2.9 -14,-0.1 2,-0.4 -0.998 73.4-160.9-130.3 139.4 55.7 76.5 52.5 101 101 A L E -bd 5 297A 0 195,-2.5 197,-3.5 -2,-0.4 2,-0.6 -0.970 3.2-162.8-118.4 129.5 55.3 75.2 56.0 102 102 A M E -bd 6 298A 0 -97,-3.3 -95,-2.7 -2,-0.4 2,-0.5 -0.935 13.6-150.0-111.0 111.7 53.1 76.8 58.7 103 103 A I E +bd 7 299A 0 195,-3.4 197,-2.6 -2,-0.6 -95,-0.1 -0.686 33.0 153.3 -84.0 120.2 54.0 75.6 62.2 104 104 A A + 0 0 9 -97,-2.9 -91,-0.4 -2,-0.5 -94,-0.4 -0.327 21.9 134.7-135.6 50.1 51.0 75.5 64.5 105 105 A T - 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0 0 29 -159,-0.2 2,-0.3 -160,-0.2 -157,-0.2 -0.951 21.6-139.3-138.3 159.2 56.2 83.4 84.5 317 317 A G - 0 0 22 -159,-3.6 -159,-0.0 -2,-0.3 -6,-0.0 -0.785 17.7-113.5-117.0 167.4 55.1 83.8 80.9 318 318 A A - 0 0 27 -2,-0.3 -118,-0.1 -12,-0.2 -158,-0.1 -0.807 40.4-113.6 -96.2 138.5 52.4 85.9 79.1 319 319 A P - 0 0 7 0, 0.0 2,-0.6 0, 0.0 -159,-0.1 -0.368 13.3-143.3 -74.7 151.2 49.6 83.8 77.6 320 320 A K - 0 0 38 34,-0.1 2,-0.2 -2,-0.0 -18,-0.1 -0.976 33.0-167.8-110.2 116.7 49.0 83.5 73.9 321 321 A T > - 0 0 15 -2,-0.6 4,-2.2 32,-0.5 3,-0.2 -0.585 29.4 -92.9-119.2 172.6 45.2 83.5 73.4 322 322 A G H > S+ 0 0 18 33,-0.4 4,-2.8 1,-0.2 5,-0.3 0.809 113.2 47.0 -53.4 -53.8 42.6 82.8 70.8 323 323 A Y H > S+ 0 0 4 1,-0.2 4,-2.0 32,-0.2 -1,-0.2 0.948 116.9 45.2 -55.7 -48.9 41.8 86.1 69.1 324 324 A M H > S+ 0 0 0 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.857 111.4 53.5 -65.4 -35.2 45.5 86.9 68.7 325 325 A I H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.943 108.8 47.7 -64.1 -48.1 46.3 83.4 67.4 326 326 A E H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 85,-0.2 0.880 109.7 55.3 -60.2 -35.5 43.6 83.6 64.7 327 327 A S H X S+ 0 0 7 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.864 108.1 47.7 -66.0 -35.9 45.0 87.0 63.9 328 328 A M H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.869 111.0 51.6 -68.9 -39.5 48.5 85.3 63.4 329 329 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.960 108.9 50.5 -61.8 -50.6 47.0 82.6 61.3 330 330 A S H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.909 111.9 47.1 -53.9 -48.0 45.3 85.1 59.1 331 331 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.931 112.6 49.2 -62.0 -46.5 48.5 87.1 58.6 332 332 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.872 111.7 48.6 -59.9 -39.2 50.5 83.9 57.8 333 333 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.952 113.9 47.0 -69.5 -45.4 48.0 82.7 55.3 334 334 A H H X S+ 0 0 65 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.911 114.0 46.8 -59.3 -44.7 47.9 86.0 53.6 335 335 A N H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 10,-0.5 0.778 109.8 52.6 -76.5 -23.3 51.7 86.4 53.5 336 336 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.930 109.7 49.7 -71.3 -44.8 52.2 82.8 52.2 337 337 A K H X S+ 0 0 71 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.923 111.1 49.6 -58.2 -46.8 49.8 83.5 49.3 338 338 A A H <>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 -1,-0.2 0.948 107.8 53.4 -55.2 -49.5 51.6 86.7 48.6 339 339 A D H ><5S+ 0 0 39 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.836 106.8 53.6 -58.2 -32.9 54.9 84.8 48.6 340 340 A L H 3<5S+ 0 0 43 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.913 105.9 51.6 -63.0 -46.2 53.4 82.4 46.0 341 341 A E T 3<5S- 0 0 101 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.076 126.3-105.3 -81.0 23.4 52.5 85.3 43.8 342 342 A G T < 5S+ 0 0 70 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.837 83.9 109.8 56.0 42.8 56.1 86.4 44.1 343 343 A R S > S-T 364 0I 14 -20,-2.3 -20,-2.2 -2,-0.4 3,-0.7 -0.924 78.1 -77.0 166.4 176.2 29.2 88.0 86.0 385 385 A R H >> S+ 0 0 132 -2,-0.3 4,-1.3 -22,-0.3 3,-1.1 0.808 114.1 69.4 -62.8 -31.2 26.6 85.6 84.7 386 386 A W H 3> S+ 0 0 10 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.845 89.5 63.2 -63.2 -31.5 26.9 86.8 81.1 387 387 A V H <> S+ 0 0 0 -3,-0.7 4,-2.6 -23,-0.3 -1,-0.3 0.846 99.5 53.8 -60.4 -35.9 30.4 85.3 80.9 388 388 A H H X S+ 0 0 85 -4,-1.7 4,-2.3 -5,-0.3 3,-0.7 0.909 109.9 48.6 -66.7 -42.0 30.6 74.4 64.5 401 401 A K H 3X S+ 0 0 26 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.850 104.8 58.7 -66.5 -34.9 33.0 76.5 62.4 402 402 A M H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.709 112.5 41.8 -67.0 -20.4 35.7 73.8 62.7 403 403 A K H << S+ 0 0 75 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.846 119.7 40.6 -89.4 -42.7 33.2 71.4 61.0 404 404 A M H < S- 0 0 94 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.731 113.7-111.1 -80.0 -24.9 31.8 73.7 58.4 405 405 A G < - 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