==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 12-SEP-98 1BU5 . COMPND 2 MOLECULE: PROTEIN (FLAVODOXIN); . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR M.A.WALSH,A.MCCARTHY,P.A.O'FARRELL,P.MCCARDLE,P.D.CUNNINGHAM . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 75.9 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 . 25 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 15.3 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 79 0, 0.0 30,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 162.5 29.3 -17.0 5.7 2 3 A K E -a 31 0A 74 28,-0.2 48,-1.7 46,-0.1 49,-1.5 -0.924 360.0-172.0-109.0 129.8 27.6 -15.5 8.8 3 4 A A E -ab 32 51A 0 28,-3.0 30,-2.4 -2,-0.5 2,-0.5 -0.918 11.3-155.5-120.4 143.7 26.4 -11.9 8.9 4 5 A L E -ab 33 52A 0 47,-2.3 49,-3.3 -2,-0.4 2,-0.5 -0.948 7.5-167.7-110.8 129.2 25.0 -9.9 11.9 5 6 A I E -ab 34 53A 0 28,-2.9 30,-3.1 -2,-0.5 2,-0.5 -0.988 7.1-178.4-118.2 119.9 22.7 -6.9 11.1 6 7 A V E +ab 35 54A 0 47,-2.6 49,-3.1 -2,-0.5 2,-0.3 -0.989 8.7 177.5-122.4 121.8 22.0 -4.6 14.1 7 8 A Y E -ab 36 55A 21 28,-1.8 30,-3.5 -2,-0.5 2,-0.5 -0.926 29.5-152.4-129.9 149.1 19.7 -1.6 13.6 8 9 A G E + b 0 56A 0 47,-1.8 49,-0.6 -2,-0.3 2,-0.4 -0.988 33.3 170.2-110.3 111.9 18.2 1.2 15.7 9 10 A S + 0 0 15 -2,-0.5 -2,-0.0 1,-0.1 60,-0.0 -0.999 20.4 170.4-137.5 131.8 14.8 2.2 13.9 10 11 A T S S+ 0 0 87 -2,-0.4 -1,-0.1 58,-0.0 0, 0.0 0.783 84.7 27.9-107.4 -48.2 12.1 4.5 15.2 11 12 A T S S- 0 0 97 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.498 111.4-104.7 -95.7 -5.6 9.7 5.0 12.3 12 13 A G S > S+ 0 0 15 4,-0.0 4,-2.4 0, 0.0 5,-0.2 0.208 94.9 105.8 103.0 -17.0 10.4 1.7 10.5 13 14 A N H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.930 83.6 43.2 -68.0 -47.6 12.6 3.1 7.7 14 15 A T H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.849 115.6 53.1 -65.4 -33.7 15.9 1.8 9.1 15 16 A E H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 107.6 47.8 -63.9 -46.7 14.2 -1.5 9.9 16 17 A Y H X S+ 0 0 37 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.897 112.5 50.2 -62.7 -40.2 12.8 -1.9 6.4 17 18 A T H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.938 110.1 50.7 -64.4 -46.3 16.3 -1.2 5.0 18 19 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.912 111.4 48.5 -55.6 -44.8 17.9 -3.8 7.4 19 20 A E H X S+ 0 0 96 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.922 108.4 52.3 -66.2 -40.0 15.3 -6.4 6.3 20 21 A T H X S+ 0 0 10 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.909 112.4 46.6 -64.5 -40.0 15.9 -5.8 2.5 21 22 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.919 108.8 54.7 -66.6 -45.7 19.7 -6.2 3.1 22 23 A A H X S+ 0 0 17 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.896 108.9 48.5 -56.5 -44.9 19.1 -9.4 5.1 23 24 A R H X S+ 0 0 173 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.916 109.4 52.2 -66.7 -41.4 17.1 -10.9 2.3 24 25 A E H X S+ 0 0 34 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.923 114.3 43.2 -58.6 -45.0 19.7 -10.0 -0.3 25 26 A L H ><>S+ 0 0 0 -4,-2.7 5,-1.9 2,-0.2 3,-1.0 0.914 110.9 53.1 -69.0 -37.9 22.4 -11.7 1.8 26 27 A A H ><5S+ 0 0 52 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.859 106.1 56.6 -62.3 -35.6 20.3 -14.7 2.7 27 28 A D H 3<5S+ 0 0 105 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.715 102.2 55.1 -66.1 -25.6 19.7 -15.1 -1.1 28 29 A A T <<5S- 0 0 41 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.101 128.7 -96.3 -98.7 20.9 23.5 -15.3 -1.6 29 30 A G T < 5S+ 0 0 61 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.416 77.0 141.5 84.0 -0.6 23.8 -18.2 0.9 30 31 A Y < - 0 0 24 -5,-1.9 2,-0.7 -8,-0.1 -1,-0.3 -0.392 54.5-126.4 -74.2 153.1 24.7 -16.2 4.0 31 32 A E E -a 2 0A 115 -30,-2.9 -28,-3.0 -2,-0.1 2,-0.4 -0.875 36.3-161.6 -95.7 113.7 23.4 -17.1 7.4 32 33 A V E -a 3 0A 38 -2,-0.7 2,-0.5 -30,-0.2 -28,-0.2 -0.897 19.1-170.1-111.4 134.8 21.9 -13.8 8.5 33 34 A D E -a 4 0A 45 -30,-2.4 -28,-2.9 -2,-0.4 2,-0.5 -0.979 13.2-170.7-119.7 112.6 21.1 -12.9 12.1 34 35 A S E +a 5 0A 49 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.927 8.9 176.5-113.7 122.7 19.1 -9.6 12.2 35 36 A R E -a 6 0A 81 -30,-3.1 -28,-1.8 -2,-0.5 2,-0.3 -0.981 32.9-122.8-135.5 143.3 18.5 -7.9 15.5 36 37 A D E > -a 7 0A 47 -2,-0.4 3,-2.1 -30,-0.2 4,-0.2 -0.565 27.9-130.7 -73.3 135.6 16.9 -4.7 16.8 37 38 A A G > S+ 0 0 6 -30,-3.5 3,-1.5 -2,-0.3 -29,-0.2 0.806 104.6 71.0 -59.4 -25.7 19.5 -2.9 18.9 38 39 A A G 3 S+ 0 0 65 -31,-0.4 -1,-0.3 1,-0.3 -30,-0.1 0.720 101.5 44.6 -64.4 -20.2 16.8 -2.6 21.6 39 40 A S G < S+ 0 0 93 -3,-2.1 2,-0.3 2,-0.0 -1,-0.3 0.327 97.3 98.1-105.4 13.9 17.2 -6.3 22.3 40 41 A V < - 0 0 30 -3,-1.5 2,-0.4 -4,-0.2 33,-0.0 -0.733 57.0-146.0-113.4 156.8 21.0 -6.7 22.2 41 42 A E - 0 0 161 -2,-0.3 4,-0.1 2,-0.1 -2,-0.0 -0.939 14.5-145.7-109.7 129.0 23.9 -6.8 24.8 42 43 A A > + 0 0 15 -2,-0.4 3,-1.8 2,-0.1 4,-0.3 0.830 67.0 104.5 -68.1 -39.6 27.2 -5.2 23.6 43 44 A G T 3 S- 0 0 41 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.218 109.3 -21.2 -47.6 111.9 29.6 -7.6 25.4 44 45 A G T > S+ 0 0 35 35,-2.8 3,-1.6 -2,-0.2 -1,-0.3 0.666 88.1 147.6 58.0 19.1 31.0 -9.8 22.6 45 46 A L T < S+ 0 0 13 -3,-1.8 36,-0.1 1,-0.3 -2,-0.1 0.863 71.0 48.3 -50.6 -40.5 28.1 -9.2 20.2 46 47 A F T > S+ 0 0 0 34,-2.1 3,-2.0 -4,-0.3 -1,-0.3 0.574 80.3 125.9 -85.5 -3.6 30.3 -9.5 17.1 47 48 A E T < S+ 0 0 130 -3,-1.6 3,-0.1 33,-0.4 34,-0.0 -0.209 78.2 12.4 -60.5 132.5 32.0 -12.8 18.1 48 49 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.395 97.1 123.3 84.6 1.3 31.8 -15.4 15.4 49 50 A F < - 0 0 13 -3,-2.0 -1,-0.2 1,-0.1 37,-0.2 -0.792 46.1-163.8-101.7 136.3 30.5 -13.1 12.7 50 51 A D S S+ 0 0 84 -48,-1.7 36,-0.4 -2,-0.4 2,-0.3 0.778 82.9 21.2 -79.6 -33.4 32.2 -12.7 9.4 51 52 A L E -b 3 0A 0 -49,-1.5 -47,-2.3 34,-0.1 2,-0.5 -0.991 66.4-163.5-139.8 134.6 30.4 -9.5 8.4 52 53 A V E -bc 4 87A 0 34,-2.3 36,-1.8 -2,-0.3 2,-0.5 -0.971 3.4-167.9-123.9 125.7 28.7 -7.0 10.7 53 54 A L E -bc 5 88A 0 -49,-3.3 -47,-2.6 -2,-0.5 2,-0.5 -0.966 5.4-166.3-115.4 121.4 26.2 -4.4 9.3 54 55 A L E -bc 6 89A 0 34,-1.9 36,-2.3 -2,-0.5 2,-0.4 -0.941 4.1-172.5-113.5 124.5 25.1 -1.5 11.6 55 56 A G E +bc 7 90A 0 -49,-3.1 -47,-1.8 -2,-0.5 2,-0.3 -0.960 11.9 158.5-122.7 139.5 22.1 0.7 10.8 56 57 A C E -b 8 0A 1 34,-1.9 48,-0.2 -2,-0.4 2,-0.2 -0.983 28.9-136.6-154.9 145.1 21.0 3.8 12.6 57 58 A S - 0 0 9 -49,-0.6 10,-1.0 -2,-0.3 2,-0.4 -0.483 26.3-122.0 -95.9 162.7 18.9 7.0 12.0 58 59 A T E +F 66 0B 30 34,-0.7 8,-0.2 8,-0.2 2,-0.2 -0.918 37.0 157.0-113.7 133.9 20.0 10.5 13.2 59 60 A W E +F 65 0B 114 6,-2.9 6,-2.3 -2,-0.4 8,-0.1 -0.490 10.8 119.9-130.4-158.9 18.0 12.8 15.5 60 61 A G - 0 0 29 4,-0.2 5,-0.1 -2,-0.2 4,-0.0 0.025 59.9-108.5 104.4 144.8 18.7 15.7 17.8 61 62 A D S S- 0 0 168 3,-0.1 -1,-0.1 -2,-0.0 3,-0.1 0.883 102.5 -22.1 -76.8 -41.9 17.6 19.3 18.0 62 63 A D S S+ 0 0 148 1,-0.1 2,-0.2 36,-0.0 -2,-0.1 0.456 129.7 62.2-141.2 -26.9 20.9 20.9 17.0 63 64 A S S S- 0 0 87 1,-0.0 2,-0.6 36,-0.0 -1,-0.1 -0.576 95.6-100.4 -94.8 167.0 23.6 18.4 17.6 64 65 A I - 0 0 55 -2,-0.2 2,-0.4 -3,-0.1 -4,-0.2 -0.751 46.1-173.2 -89.7 126.0 23.5 15.1 15.8 65 66 A E E -F 59 0B 99 -6,-2.3 -6,-2.9 -2,-0.6 38,-0.2 -0.938 20.7-120.6-116.9 142.2 22.1 12.4 18.2 66 67 A L E -F 58 0B 21 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.1 -0.470 44.0 -83.2 -78.4 157.0 21.9 8.6 17.6 67 68 A Q >> - 0 0 3 -10,-1.0 4,-1.5 1,-0.1 3,-1.1 -0.266 47.4-116.7 -58.6 137.0 18.6 6.7 17.6 68 69 A D T 34 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.806 110.3 53.3 -51.0 -40.6 17.8 6.0 21.2 69 70 A D T 34 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.767 109.9 50.2 -70.0 -26.1 18.0 2.2 21.0 70 71 A F T X> S+ 0 0 0 -3,-1.1 4,-2.4 1,-0.2 3,-0.6 0.747 88.5 83.8 -85.2 -20.5 21.4 2.3 19.4 71 72 A I H 3X S+ 0 0 52 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.835 86.9 50.9 -49.9 -50.9 23.0 4.7 22.0 72 73 A P H 3> S+ 0 0 81 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.891 113.1 47.3 -57.4 -39.9 23.9 2.0 24.6 73 74 A L H X4 S+ 0 0 6 -3,-0.6 3,-0.7 -4,-0.4 -2,-0.2 0.946 110.9 50.6 -68.1 -48.1 25.6 -0.1 21.9 74 75 A F H >< S+ 0 0 36 -4,-2.4 3,-1.3 1,-0.3 4,-0.2 0.936 109.0 52.2 -55.1 -43.8 27.5 2.8 20.5 75 76 A D H 3< S+ 0 0 95 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.759 117.4 39.0 -67.1 -24.4 28.7 3.8 24.0 76 77 A S T X< S+ 0 0 35 -4,-1.0 3,-2.3 -3,-0.7 -1,-0.3 0.043 76.2 121.7-112.0 20.9 29.9 0.2 24.5 77 78 A L G X + 0 0 0 -3,-1.3 3,-1.7 1,-0.3 5,-0.4 0.777 65.1 68.4 -57.3 -28.7 31.4 -0.4 21.0 78 79 A E G 3 S+ 0 0 57 1,-0.3 -1,-0.3 -3,-0.2 3,-0.2 0.613 99.5 50.7 -67.9 -12.7 34.8 -1.1 22.4 79 80 A E G < S+ 0 0 106 -3,-2.3 -35,-2.8 1,-0.1 -1,-0.3 0.368 88.9 81.3-104.3 3.3 33.5 -4.4 24.0 80 81 A T S < S- 0 0 0 -3,-1.7 -34,-2.1 -37,-0.2 -33,-0.4 0.635 103.7-109.3 -82.8 -17.8 31.8 -5.8 20.9 81 82 A G + 0 0 23 -4,-0.3 -3,-0.1 -3,-0.2 -2,-0.1 0.800 64.9 148.6 92.3 42.6 34.9 -7.3 19.2 82 83 A A > + 0 0 4 -5,-0.4 3,-2.5 2,-0.1 35,-0.3 0.711 31.3 112.3 -81.9 -22.6 35.1 -4.8 16.3 83 84 A Q T 3 S- 0 0 156 1,-0.3 33,-0.3 33,-0.1 32,-0.2 -0.318 97.6 -2.8 -59.4 118.6 38.9 -4.9 16.0 84 85 A G T 3 S+ 0 0 55 31,-3.5 -1,-0.3 1,-0.3 2,-0.3 0.482 102.2 138.6 80.2 -0.1 39.7 -6.5 12.7 85 86 A R < - 0 0 44 -3,-2.5 32,-3.9 30,-0.1 2,-0.6 -0.563 57.7-124.1 -81.7 143.6 36.0 -7.1 12.0 86 87 A K E + d 0 117A 48 -36,-0.4 -34,-2.3 -2,-0.3 2,-0.3 -0.753 47.2 163.9 -83.6 114.5 34.6 -6.5 8.6 87 88 A V E -cd 52 118A 0 30,-2.6 32,-2.5 -2,-0.6 33,-0.4 -0.918 23.1-175.1-132.5 163.1 31.8 -4.0 9.0 88 89 A A E -c 53 0A 0 -36,-1.8 -34,-1.9 -2,-0.3 2,-0.3 -0.976 16.8-137.9-154.7 149.7 29.7 -1.6 7.0 89 90 A C E +c 54 0A 1 31,-0.5 34,-2.3 -2,-0.3 2,-0.3 -0.747 17.5 175.9-114.5 156.4 27.1 1.0 8.0 90 91 A F E +ce 55 123A 1 -36,-2.3 -34,-1.9 -2,-0.3 2,-0.3 -0.970 7.9 160.1-150.0 160.2 23.7 2.1 6.7 91 92 A G E - e 0 124A 0 32,-1.8 34,-2.6 -2,-0.3 2,-0.3 -0.955 31.5-121.1-175.9 159.8 21.0 4.6 7.8 92 93 A C E + e 0 125A 7 -2,-0.3 -34,-0.7 32,-0.2 2,-0.2 -0.854 42.2 139.2-109.4 148.0 18.0 6.6 6.8 93 94 A G E - e 0 126A 22 32,-2.7 34,-2.3 -2,-0.3 2,-0.4 -0.812 44.9 -98.8-161.8-157.6 17.8 10.4 7.1 94 95 A D > - 0 0 71 -2,-0.2 3,-1.8 32,-0.2 7,-0.1 -0.964 13.7-141.1-148.7 125.6 16.7 13.5 5.3 95 96 A S T 3 S+ 0 0 71 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 0.500 94.3 76.3 -66.7 -6.5 18.7 16.0 3.3 96 97 A S T 3 S+ 0 0 94 3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.780 84.4 84.0 -74.4 -21.0 16.9 19.0 4.6 97 98 A Y S < S- 0 0 153 -3,-1.8 3,-0.4 1,-0.1 -4,-0.0 -0.489 88.2-121.3 -81.1 154.8 19.0 18.6 7.8 98 99 A E S S+ 0 0 152 1,-0.3 2,-0.6 -2,-0.2 -1,-0.1 0.802 106.8 42.9 -62.7 -37.6 22.5 20.0 8.2 99 100 A Y S > S- 0 0 117 -5,-0.1 3,-2.0 -36,-0.1 -1,-0.3 -0.794 84.0-154.5-114.4 81.8 24.1 16.6 8.9 100 101 A F T 3 S- 0 0 66 -2,-0.6 -5,-0.1 -3,-0.4 -7,-0.1 -0.399 81.3 -12.8 -59.7 120.8 22.5 14.2 6.4 101 102 A C T >> S+ 0 0 2 -2,-0.2 3,-1.3 -7,-0.1 4,-1.1 0.846 84.6 166.0 49.9 42.3 22.7 10.7 8.0 102 103 A G H <> + 0 0 0 -3,-2.0 4,-2.1 1,-0.3 5,-0.2 0.811 66.6 65.6 -59.0 -31.8 25.2 12.1 10.5 103 104 A A H 3> S+ 0 0 0 -4,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.884 97.2 57.0 -56.7 -35.3 24.8 8.9 12.7 104 105 A V H <> S+ 0 0 0 -3,-1.3 4,-2.5 1,-0.2 5,-0.2 0.923 107.9 46.8 -61.0 -46.9 26.4 6.9 9.8 105 106 A D H X S+ 0 0 73 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.927 112.4 49.4 -61.2 -42.7 29.5 9.2 10.0 106 107 A A H X S+ 0 0 24 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.902 113.5 45.8 -66.7 -40.4 29.8 9.0 13.8 107 108 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.923 112.4 49.9 -71.5 -42.5 29.5 5.2 13.8 108 109 A E H X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.923 111.3 50.5 -59.7 -42.5 32.0 4.7 10.9 109 110 A E H X S+ 0 0 90 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.925 111.3 46.3 -61.6 -45.0 34.5 7.0 12.7 110 111 A K H X S+ 0 0 10 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.924 112.3 50.7 -68.8 -40.5 34.3 5.2 16.0 111 112 A L H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 3,-0.3 0.875 109.0 52.1 -60.9 -40.5 34.6 1.8 14.3 112 113 A K H ><5S+ 0 0 116 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.938 108.5 51.0 -57.7 -49.6 37.7 3.0 12.5 113 114 A N H 3<5S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.684 107.9 53.4 -62.5 -26.0 39.2 4.2 15.8 114 115 A L T 3<5S- 0 0 33 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.385 122.2-106.9 -93.0 1.5 38.6 0.8 17.2 115 116 A G T < 5 + 0 0 39 -3,-1.8 -31,-3.5 1,-0.2 -3,-0.2 0.762 65.7 152.4 80.6 25.4 40.4 -1.0 14.3 116 117 A A < - 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