==== 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 11-FEB-00 1C7F . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR A.MCCARTHY,M.WALSH,T.HIGGINS,D.D'ARCY . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 0 0.0 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-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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 0 0 0 0 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 3 1 4 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 P 0 0 89 0, 0.0 30,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 159.5 39.7 -1.6 -2.3 2 3 A K E -a 31 0A 76 28,-0.2 49,-1.5 46,-0.1 48,-1.4 -0.979 360.0-170.1-107.3 129.5 37.7 -2.9 0.6 3 4 A A E -ab 32 51A 0 28,-2.7 30,-2.5 -2,-0.5 2,-0.5 -0.909 9.3-156.7-122.4 142.8 33.9 -2.5 0.7 4 5 A L E -ab 33 52A 0 47,-2.3 49,-3.3 -2,-0.4 2,-0.5 -0.966 6.3-168.7-114.7 132.2 31.5 -3.1 3.5 5 6 A I E -ab 34 53A 0 28,-2.9 30,-3.2 -2,-0.5 2,-0.4 -0.989 5.9-177.5-120.8 120.4 27.8 -3.8 2.7 6 7 A V E -ab 35 54A 0 47,-2.7 49,-2.5 -2,-0.5 2,-0.3 -0.995 8.0-179.9-115.9 134.4 25.4 -3.7 5.7 7 8 A Y E -ab 36 55A 16 28,-1.9 30,-3.2 -2,-0.4 2,-0.5 -0.940 25.2-156.2-137.5 147.1 21.7 -4.6 5.2 8 9 A G E + b 0 56A 0 47,-1.6 49,-1.1 -2,-0.3 2,-0.3 -0.988 31.8 160.7-111.8 132.0 18.5 -4.9 7.2 9 10 A S + 0 0 15 -2,-0.5 -2,-0.0 47,-0.2 82,-0.0 -0.999 24.3 180.0-157.0 129.2 16.0 -7.3 5.5 10 11 A T S S+ 0 0 88 -2,-0.3 -1,-0.1 58,-0.0 0, 0.0 0.759 89.4 28.6-104.1 -33.9 13.0 -9.1 6.9 11 12 A T S S- 0 0 98 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.403 112.3-104.7-108.0 6.0 11.7 -11.0 3.9 12 13 A G S > S+ 0 0 18 4,-0.0 4,-2.2 3,-0.0 5,-0.2 0.334 90.3 110.0 95.4 -8.2 15.0 -11.4 2.1 13 14 A N H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.955 83.8 40.1 -72.9 -44.8 14.5 -8.8 -0.7 14 15 A T H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.838 115.5 55.4 -69.5 -27.6 17.1 -6.3 0.5 15 16 A E H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.950 107.3 47.9 -67.1 -43.3 19.4 -9.2 1.4 16 17 A Y H X S+ 0 0 55 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.914 112.2 50.6 -62.0 -40.0 19.2 -10.6 -2.2 17 18 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.951 108.6 51.6 -63.6 -48.0 19.9 -7.1 -3.4 18 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.904 110.7 48.6 -55.8 -43.3 23.0 -6.8 -1.1 19 20 A E H X S+ 0 0 96 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.859 108.3 52.1 -69.9 -33.5 24.4 -10.1 -2.4 20 21 A T H X S+ 0 0 14 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.922 112.7 46.4 -66.3 -41.6 23.9 -9.2 -6.0 21 22 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.973 110.2 53.9 -63.0 -48.7 25.8 -5.9 -5.4 22 23 A A H X S+ 0 0 14 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.878 107.6 50.7 -51.5 -43.3 28.5 -7.8 -3.4 23 24 A R H X S+ 0 0 145 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.890 109.2 50.6 -64.3 -41.1 29.1 -10.2 -6.3 24 25 A E H X S+ 0 0 31 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.886 113.4 44.5 -65.1 -39.4 29.5 -7.4 -8.8 25 26 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 3,-0.9 0.934 112.5 51.9 -71.4 -44.6 32.1 -5.6 -6.6 26 27 A A H ><5S+ 0 0 34 -4,-2.8 3,-2.1 -5,-0.3 -2,-0.2 0.953 107.1 52.8 -56.6 -43.6 34.0 -8.8 -5.9 27 28 A D H 3<5S+ 0 0 111 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.754 105.3 57.3 -64.9 -20.0 34.2 -9.6 -9.7 28 29 A A T <<5S- 0 0 41 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.062 128.9 -96.3 -90.4 6.1 35.6 -6.1 -10.1 29 30 A G T < 5S+ 0 0 60 -3,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.482 78.7 135.4 95.4 5.8 38.5 -6.9 -7.6 30 31 A Y < - 0 0 25 -5,-2.1 2,-0.6 -8,-0.1 -1,-0.2 -0.640 56.0-128.2 -79.6 159.1 37.1 -5.5 -4.4 31 32 A E E -a 2 0A 130 -30,-2.7 -28,-2.7 -2,-0.2 2,-0.4 -0.857 36.7-161.4 -98.2 122.6 37.4 -7.4 -1.1 32 33 A V E -a 3 0A 42 -2,-0.6 2,-0.6 -30,-0.2 -28,-0.2 -0.928 20.6-166.2-117.4 128.8 33.8 -7.3 0.1 33 34 A D E -a 4 0A 55 -30,-2.5 -28,-2.9 -2,-0.4 2,-0.5 -0.976 12.8-168.0-110.0 115.1 32.5 -7.9 3.6 34 35 A S E +a 5 0A 43 -2,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.908 11.9 176.0-112.2 114.1 28.7 -8.4 3.5 35 36 A R E -a 6 0A 76 -30,-3.2 -28,-1.9 -2,-0.5 2,-0.3 -0.981 31.8-126.1-128.3 141.8 26.9 -8.3 6.9 36 37 A D E > -a 7 0A 48 -2,-0.4 3,-1.7 -30,-0.2 -28,-0.2 -0.599 28.1-127.5 -73.8 145.1 23.4 -8.4 8.2 37 38 A A G > S+ 0 0 6 -30,-3.2 3,-1.4 -2,-0.3 -29,-0.2 0.771 104.6 70.3 -67.7 -23.4 22.7 -5.5 10.5 38 39 A A G 3 S+ 0 0 63 -31,-0.3 -1,-0.3 1,-0.3 -30,-0.1 0.799 101.6 45.4 -65.5 -26.9 21.4 -7.8 13.2 39 40 A S G < S+ 0 0 87 -3,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.237 97.4 85.8-101.3 9.7 25.0 -9.0 13.7 40 41 A V < - 0 0 23 -3,-1.4 2,-0.4 -4,-0.1 33,-0.0 -0.795 61.3-139.9-114.2 163.6 27.0 -5.7 13.8 41 42 A E - 0 0 164 -2,-0.3 4,-0.1 2,-0.1 32,-0.1 -0.955 16.0-139.1-114.7 136.9 28.0 -3.1 16.4 42 43 A A > + 0 0 16 -2,-0.4 3,-2.6 2,-0.1 4,-0.3 0.862 69.9 105.1 -62.8 -42.5 27.9 0.6 15.4 43 44 A G T 3 S- 0 0 54 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.164 107.4 -20.3 -49.5 109.2 31.1 1.7 17.2 44 45 A G T > S+ 0 0 34 35,-3.5 3,-1.6 1,-0.1 -1,-0.3 0.662 88.6 148.5 68.5 17.2 33.8 2.2 14.6 45 46 A L T < + 0 0 15 -3,-2.6 36,-0.1 1,-0.3 -2,-0.1 0.834 68.6 46.1 -58.4 -37.0 32.0 -0.1 12.0 46 47 A F T > S+ 0 0 0 34,-2.5 3,-2.2 -4,-0.3 -1,-0.3 0.507 80.0 127.9 -87.7 -2.2 33.3 1.7 8.9 47 48 A E T < S+ 0 0 127 -3,-1.6 3,-0.1 33,-0.4 34,-0.0 -0.320 76.7 14.7 -57.1 132.7 36.9 2.0 10.0 48 49 A G T 3 S+ 0 0 50 1,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.374 96.5 121.2 88.4 -6.9 39.2 0.7 7.3 49 50 A F < - 0 0 9 -3,-2.2 -1,-0.2 1,-0.1 37,-0.2 -0.876 48.0-161.3-101.6 135.4 36.7 0.6 4.5 50 51 A D S S+ 0 0 87 -48,-1.4 36,-0.5 -2,-0.5 2,-0.3 0.701 85.3 20.0 -70.5 -33.1 37.1 2.5 1.2 51 52 A L E -b 3 0A 0 -49,-1.5 -47,-2.3 34,-0.1 2,-0.4 -0.985 65.4-164.2-141.4 136.8 33.4 2.2 0.4 52 53 A V E -bc 4 87A 0 34,-2.2 36,-1.6 -2,-0.3 2,-0.5 -0.984 3.7-167.7-121.5 134.4 30.4 1.5 2.6 53 54 A L E -bc 5 88A 0 -49,-3.3 -47,-2.7 -2,-0.4 2,-0.5 -0.952 5.9-167.1-123.3 127.1 27.0 0.5 1.2 54 55 A L E -bc 6 89A 0 34,-2.0 36,-2.3 -2,-0.5 2,-0.4 -0.973 7.1-179.1-119.2 136.2 24.0 0.5 3.5 55 56 A G E +bc 7 90A 0 -49,-2.5 -47,-1.6 -2,-0.5 2,-0.3 -0.960 7.4 159.2-140.0 143.6 20.7 -1.1 2.6 56 57 A C E -b 8 0A 0 34,-1.8 -47,-0.2 -2,-0.4 2,-0.1 -0.941 30.6-126.7-159.7 149.4 17.4 -1.3 4.4 57 58 A S - 0 0 11 -49,-1.1 10,-1.3 -2,-0.3 2,-0.4 -0.380 30.1-118.2 -95.0 168.4 13.7 -2.0 3.6 58 59 A T E +F 66 0B 30 34,-0.9 8,-0.2 8,-0.2 2,-0.2 -0.869 37.6 159.3-114.6 133.0 10.8 0.4 4.7 59 60 A W E +F 65 0B 111 6,-3.1 6,-2.5 -2,-0.4 43,-0.1 -0.613 12.8 110.7-130.8-164.8 8.0 -0.5 7.1 60 61 A G - 0 0 20 4,-0.2 2,-0.8 -2,-0.2 5,-0.1 0.115 61.7 -99.6 103.3 141.9 5.5 1.2 9.4 61 62 A D S S- 0 0 150 1,-0.1 2,-0.2 3,-0.1 3,-0.1 -0.884 102.7 -23.5 -96.3 102.0 1.7 1.8 9.4 62 63 A D S S+ 0 0 152 -2,-0.8 2,-0.2 1,-0.2 -1,-0.1 0.128 131.9 67.9 84.9 -18.9 1.1 5.3 8.1 63 64 A S S S- 0 0 49 -2,-0.2 2,-0.6 35,-0.0 -1,-0.2 -0.583 92.2 -95.4-117.6 178.8 4.7 6.5 9.0 64 65 A I + 0 0 56 -2,-0.2 2,-0.4 -3,-0.1 -4,-0.2 -0.906 45.0 173.1 -96.7 118.0 8.2 5.7 7.8 65 66 A E E -F 59 0B 99 -6,-2.5 -6,-3.1 -2,-0.6 38,-0.2 -0.974 26.2-130.1-122.9 147.8 9.9 3.0 10.0 66 67 A L E -F 58 0B 18 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.1 -0.572 43.9 -80.3 -84.8 161.7 13.2 1.4 9.2 67 68 A Q >> - 0 0 2 -10,-1.3 3,-1.7 -2,-0.2 4,-1.2 -0.274 48.2-117.1 -57.7 134.7 13.6 -2.4 9.2 68 69 A D T 34 S+ 0 0 122 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.689 110.0 52.6 -53.4 -38.9 14.0 -3.4 12.9 69 70 A D T 34 S+ 0 0 59 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.661 109.8 51.8 -71.4 -25.0 17.6 -4.9 12.7 70 71 A F T <> S+ 0 0 0 -3,-1.7 4,-2.7 1,-0.1 3,-0.5 0.702 87.9 83.2 -81.5 -21.1 18.8 -1.6 11.1 71 72 A I H X S+ 0 0 53 -4,-1.2 4,-2.9 1,-0.2 5,-0.2 0.887 89.0 49.3 -50.9 -48.3 17.3 0.8 13.8 72 73 A P H > S+ 0 0 82 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.864 113.3 47.4 -64.0 -36.8 20.1 0.5 16.4 73 74 A L H >4 S+ 0 0 7 -3,-0.5 3,-1.1 -4,-0.4 -2,-0.2 0.948 112.6 49.8 -67.9 -44.4 22.8 1.1 13.6 74 75 A F H >< S+ 0 0 37 -4,-2.7 3,-1.5 1,-0.3 4,-0.2 0.929 108.5 52.7 -58.8 -46.4 20.7 4.1 12.4 75 76 A D H 3< S+ 0 0 96 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.672 117.7 37.3 -63.0 -19.6 20.4 5.5 15.9 76 77 A S T X< S+ 0 0 35 -3,-1.1 3,-2.4 -4,-0.7 -1,-0.3 0.055 74.4 124.4-120.7 27.7 24.3 5.3 16.4 77 78 A L G X + 0 0 1 -3,-1.5 3,-1.4 1,-0.3 5,-0.4 0.727 65.3 68.5 -60.5 -24.0 25.4 6.3 12.9 78 79 A E G 3 S+ 0 0 110 1,-0.2 -1,-0.3 -4,-0.2 3,-0.3 0.674 98.5 52.2 -71.5 -8.6 27.4 9.2 14.4 79 80 A E G < S+ 0 0 112 -3,-2.4 -35,-3.5 1,-0.2 -1,-0.2 0.325 88.0 82.5-105.6 8.0 29.8 6.6 15.9 80 81 A T S < S- 0 0 0 -3,-1.4 -34,-2.5 -37,-0.2 -33,-0.4 0.655 102.9-106.9 -85.2 -16.7 30.5 4.6 12.8 81 82 A G + 0 0 24 -4,-0.3 -3,-0.1 -3,-0.3 -2,-0.1 0.765 67.7 145.5 95.1 34.2 33.3 6.7 11.2 82 83 A A > + 0 0 4 -5,-0.4 3,-2.5 2,-0.1 35,-0.3 0.754 29.9 111.7 -83.6 -15.5 31.1 8.1 8.4 83 84 A Q T 3 S- 0 0 164 1,-0.3 33,-0.2 -5,-0.1 32,-0.2 -0.287 97.8 -3.2 -62.9 122.7 32.7 11.5 8.2 84 85 A G T 3 S+ 0 0 58 31,-2.3 2,-0.3 1,-0.2 -1,-0.3 0.536 102.4 136.5 72.7 5.6 34.5 11.8 4.9 85 86 A R < - 0 0 46 -3,-2.5 32,-2.6 1,-0.0 2,-0.5 -0.645 59.2-120.6 -87.9 142.1 33.6 8.2 4.0 86 87 A K E + d 0 117A 62 -36,-0.5 -34,-2.2 -2,-0.3 2,-0.3 -0.679 48.2 163.5 -77.4 120.3 32.4 7.2 0.5 87 88 A V E -cd 52 118A 0 30,-2.3 32,-3.1 -2,-0.5 33,-0.4 -0.954 24.0-173.3-133.9 164.3 29.0 5.7 0.9 88 89 A A E -c 53 0A 0 -36,-1.6 -34,-2.0 -2,-0.3 2,-0.3 -0.940 16.3-141.5-158.1 150.6 25.9 4.8 -1.2 89 90 A C E +c 54 0A 1 31,-0.4 34,-2.2 -2,-0.3 2,-0.3 -0.929 17.7 172.9-118.2 154.4 22.5 3.5 -0.1 90 91 A F E +ce 55 123A 1 -36,-2.3 -34,-1.8 -2,-0.3 2,-0.3 -0.946 3.8 162.0-153.2 168.3 19.9 1.1 -1.4 91 92 A G E - e 0 124A 0 32,-1.7 34,-2.6 -2,-0.3 2,-0.4 -0.976 28.9-122.0 178.9 159.4 16.6 -0.5 -0.3 92 93 A C E + e 0 125A 4 -2,-0.3 -34,-0.9 32,-0.2 2,-0.3 -0.892 41.0 136.5-110.8 152.3 13.6 -2.4 -1.4 93 94 A G E - e 0 126A 19 32,-2.6 34,-2.1 -2,-0.4 2,-0.4 -0.879 48.5 -92.5-165.8-157.3 10.0 -1.2 -0.9 94 95 A E > - 0 0 97 -2,-0.3 3,-1.8 32,-0.2 7,-0.2 -0.999 17.7-139.8-140.0 124.3 6.6 -1.0 -2.8 95 96 A S T 3 S+ 0 0 73 -2,-0.4 5,-0.2 1,-0.3 -1,-0.1 0.578 95.5 75.1 -65.7 -5.8 5.4 2.1 -4.7 96 97 A S T 3 S+ 0 0 101 3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.664 82.0 86.1 -76.9 -20.3 1.8 1.7 -3.4 97 98 A Y S < S- 0 0 143 -3,-1.8 3,-0.4 1,-0.1 -4,-0.0 -0.501 88.7-120.3 -77.2 159.3 3.0 3.1 -0.1 98 99 A E S S+ 0 0 161 1,-0.3 2,-0.8 -2,-0.2 -1,-0.1 0.898 108.0 42.1 -59.8 -52.1 3.1 6.8 0.5 99 100 A Y S > S- 0 0 111 -36,-0.1 3,-1.8 -5,-0.0 -1,-0.3 -0.771 84.6-154.5-102.5 83.2 6.8 6.9 1.2 100 101 A F T 3 S- 0 0 62 -2,-0.8 -5,-0.1 -3,-0.4 -7,-0.1 -0.423 80.1 -15.6 -62.4 116.7 8.3 4.6 -1.4 101 102 A C T >> S+ 0 0 2 -2,-0.2 3,-1.6 -7,-0.2 4,-0.9 0.821 84.2 165.7 51.7 43.7 11.6 3.3 0.1 102 103 A G H <> + 0 0 0 -3,-1.8 4,-2.2 1,-0.3 3,-0.3 0.800 65.6 67.4 -64.7 -23.4 11.5 6.1 2.7 103 104 A A H 3> S+ 0 0 0 1,-0.2 4,-2.3 -4,-0.2 -1,-0.3 0.820 95.9 55.9 -59.8 -34.5 14.2 4.4 4.7 104 105 A V H <> S+ 0 0 0 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.870 108.0 47.7 -65.8 -41.7 16.7 5.1 1.9 105 106 A D H X S+ 0 0 74 -4,-0.9 4,-2.4 -3,-0.3 -2,-0.2 0.896 111.5 50.4 -66.1 -43.4 15.9 8.9 2.1 106 107 A A H X S+ 0 0 25 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.894 113.2 45.3 -64.0 -39.9 16.2 8.9 5.9 107 108 A I H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.921 113.1 49.2 -69.1 -46.0 19.6 7.1 5.8 108 109 A E H X S+ 0 0 17 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.926 112.3 49.4 -57.4 -43.6 21.0 9.3 3.0 109 110 A E H X S+ 0 0 122 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.895 111.3 47.8 -63.9 -44.3 19.9 12.5 4.8 110 111 A K H X S+ 0 0 51 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.937 112.9 49.5 -66.4 -39.2 21.5 11.3 8.1 111 112 A L H <>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 -1,-0.2 0.852 108.8 51.4 -60.7 -47.4 24.7 10.5 6.4 112 113 A K H ><5S+ 0 0 130 -4,-2.1 3,-2.0 -5,-0.2 -1,-0.2 0.968 108.4 53.2 -56.3 -44.5 24.9 13.8 4.5 113 114 A N H 3<5S+ 0 0 125 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.797 106.7 52.5 -61.4 -28.3 24.4 15.5 7.9 114 115 A L T 3<5S- 0 0 47 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.338 122.5-105.4 -88.4 1.8 27.4 13.6 9.3 115 116 A G T < 5 + 0 0 39 -3,-2.0 -31,-2.3 1,-0.2 -3,-0.2 0.700 65.6 153.6 84.8 20.0 29.6 14.7 6.5 116 117 A A < - 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