==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-MAY-01 1J8Q . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR R.ARTALI,G.BOMBIERI,F.MENEGHETTI,G.GILARDI,S.J.SADEGHI, . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 13 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 59 0, 0.0 30,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 136.9 21.8 -0.3 111.8 2 3 A K E -a 31 0A 93 28,-0.2 48,-1.9 30,-0.0 49,-1.8 -0.942 360.0-170.8-112.6 122.8 21.3 -2.1 108.5 3 4 A A E -ab 32 51A 0 28,-3.2 30,-2.7 -2,-0.5 2,-0.5 -0.873 10.3-160.2-112.9 138.3 21.9 -0.4 105.2 4 5 A L E -ab 33 52A 0 47,-2.5 49,-3.0 -2,-0.4 2,-0.4 -0.983 7.4-170.0-109.6 130.0 21.1 -1.5 101.7 5 6 A I E -ab 34 53A 0 28,-2.7 30,-2.9 -2,-0.5 2,-0.5 -0.995 4.4-178.5-118.9 123.5 22.9 0.2 98.8 6 7 A V E -ab 35 54A 0 47,-2.3 49,-3.0 -2,-0.4 2,-0.4 -0.994 9.9-175.2-123.0 122.7 21.7 -0.5 95.2 7 8 A Y E -ab 36 55A 24 28,-2.0 30,-3.3 -2,-0.5 2,-0.5 -0.955 22.3-158.0-124.7 147.7 23.5 1.1 92.4 8 9 A G E + b 0 56A 0 47,-2.2 49,-1.3 -2,-0.4 2,-0.4 -0.984 28.5 163.3-115.0 121.7 23.2 1.3 88.6 9 10 A S - 0 0 13 -2,-0.5 -2,-0.1 47,-0.2 47,-0.0 -0.973 24.7-179.4-148.3 123.1 26.4 2.1 86.9 10 11 A T S S+ 0 0 75 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 0.858 92.5 22.1 -89.5 -45.4 27.6 1.8 83.3 11 12 A T S S- 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.316 113.5-102.4-109.3 4.8 31.2 3.0 83.4 12 13 A G S > S+ 0 0 15 3,-0.0 4,-2.5 4,-0.0 5,-0.2 0.367 90.1 111.7 97.6 -4.0 31.8 2.3 87.1 13 14 A N H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.936 83.5 41.0 -72.2 -45.5 31.5 5.9 88.5 14 15 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.830 114.6 55.7 -66.3 -29.8 28.3 5.4 90.5 15 16 A E H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.941 107.0 47.9 -64.6 -47.3 29.7 2.0 91.5 16 17 A Y H X S+ 0 0 41 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.896 111.6 51.8 -54.5 -44.2 32.8 3.7 92.9 17 18 A T H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.941 109.4 49.0 -60.2 -47.7 30.5 6.1 94.7 18 19 A A H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.887 110.6 50.2 -56.5 -45.0 28.5 3.2 96.2 19 20 A E H X S+ 0 0 108 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.877 110.5 50.5 -62.1 -41.0 31.7 1.5 97.3 20 21 A T H X S+ 0 0 13 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.940 112.9 45.5 -64.4 -49.0 32.9 4.7 99.0 21 22 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.922 110.6 54.7 -55.9 -47.3 29.6 5.2 100.8 22 23 A A H X S+ 0 0 15 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.915 108.8 47.2 -57.7 -42.4 29.6 1.6 101.8 23 24 A R H X S+ 0 0 150 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.895 110.7 51.9 -66.2 -39.9 33.0 1.8 103.4 24 25 A E H X S+ 0 0 31 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.924 113.6 44.2 -57.0 -47.9 32.0 5.0 105.2 25 26 A L H <>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-0.4 0.922 114.9 47.4 -64.5 -45.8 28.9 3.4 106.6 26 27 A A H ><5S+ 0 0 48 -4,-2.8 3,-1.4 -5,-0.2 -1,-0.2 0.893 107.4 56.3 -66.5 -33.7 30.6 0.1 107.6 27 28 A D H 3<5S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.816 105.7 53.0 -67.3 -27.3 33.5 2.0 109.2 28 29 A A T 3<5S- 0 0 50 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.559 130.8 -96.6 -83.3 -8.4 30.9 3.7 111.4 29 30 A G T < 5S+ 0 0 56 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.415 75.2 142.3 107.4 -2.8 29.5 0.3 112.4 30 31 A Y < - 0 0 29 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.428 54.6-122.6 -64.1 145.4 26.6 -0.1 110.0 31 32 A E E -a 2 0A 115 -30,-3.1 -28,-3.2 -2,-0.1 2,-0.4 -0.816 38.5-162.5 -75.4 130.1 25.7 -3.5 108.5 32 33 A V E -a 3 0A 47 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.986 21.2-172.6-128.5 125.3 26.0 -2.8 104.7 33 34 A D E -a 4 0A 57 -30,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.975 13.7-167.7-108.8 113.6 24.6 -4.9 101.9 34 35 A S E +a 5 0A 57 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.933 9.4 177.3-107.7 123.3 25.7 -3.5 98.4 35 36 A R E -a 6 0A 82 -30,-2.9 -28,-2.0 -2,-0.5 2,-0.3 -0.988 30.7-127.2-131.6 136.9 24.1 -4.8 95.3 36 37 A D E > -a 7 0A 45 -2,-0.4 3,-2.0 -30,-0.2 4,-0.3 -0.602 24.8-132.3 -69.1 131.8 24.4 -4.0 91.6 37 38 A A G > S+ 0 0 7 -30,-3.3 3,-1.2 -2,-0.3 -29,-0.2 0.789 101.4 75.1 -57.4 -28.3 20.9 -3.2 90.2 38 39 A A G 3 S+ 0 0 62 -31,-0.4 -1,-0.3 1,-0.3 -30,-0.1 0.696 105.6 33.6 -57.2 -20.4 21.6 -5.6 87.3 39 40 A S G < S+ 0 0 90 -3,-2.0 2,-0.3 2,-0.0 -1,-0.3 0.271 94.0 109.3-123.5 9.8 21.1 -8.5 89.7 40 41 A V < - 0 0 27 -3,-1.2 2,-0.4 -4,-0.3 33,-0.0 -0.675 55.7-140.9 -95.6 150.2 18.4 -7.4 92.2 41 42 A E - 0 0 153 -2,-0.3 4,-0.1 1,-0.1 -2,-0.0 -0.892 10.8-150.6 -95.4 128.8 14.8 -8.4 92.5 42 43 A A > + 0 0 13 -2,-0.4 3,-2.1 2,-0.1 4,-0.3 0.855 64.6 103.8 -72.2 -38.1 12.5 -5.5 93.4 43 44 A G T 3 S- 0 0 52 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.219 107.4 -18.3 -53.5 117.9 9.9 -7.5 95.3 44 45 A G T > S+ 0 0 21 35,-2.7 3,-2.2 -2,-0.1 -1,-0.3 0.583 92.1 145.6 67.4 8.6 10.3 -6.8 99.0 45 46 A L T < + 0 0 12 -3,-2.1 36,-0.1 1,-0.3 -2,-0.1 0.826 67.8 45.2 -51.5 -41.0 13.9 -5.5 98.4 46 47 A F T > S+ 0 0 0 34,-2.4 3,-1.8 -4,-0.3 -1,-0.3 0.633 84.5 128.1 -86.6 -3.0 14.0 -2.9 101.1 47 48 A E T < S+ 0 0 132 -3,-2.2 3,-0.1 33,-0.4 34,-0.0 -0.252 74.7 12.1 -57.3 130.6 12.5 -5.2 103.6 48 49 A G T 3 S+ 0 0 57 1,-0.3 2,-0.4 2,-0.0 -1,-0.2 0.514 97.5 121.2 82.4 9.0 14.5 -5.4 106.9 49 50 A F < - 0 0 29 -3,-1.8 -1,-0.3 1,-0.1 37,-0.2 -0.874 49.6-160.7-104.2 134.5 16.7 -2.4 106.1 50 51 A D S S+ 0 0 88 -48,-1.9 36,-0.5 -2,-0.4 2,-0.3 0.787 85.1 21.7 -75.8 -30.9 16.8 0.6 108.3 51 52 A L E -bc 3 86A 2 -49,-1.8 -47,-2.5 34,-0.1 2,-0.5 -0.996 65.0-164.5-141.5 136.2 18.3 2.7 105.5 52 53 A V E -bc 4 87A 0 34,-2.4 36,-1.8 -2,-0.3 2,-0.5 -0.990 3.5-168.8-124.0 124.9 18.2 2.4 101.7 53 54 A L E -bc 5 88A 0 -49,-3.0 -47,-2.3 -2,-0.5 2,-0.5 -0.966 5.8-163.0-111.3 124.0 20.6 4.3 99.4 54 55 A L E -bc 6 89A 0 34,-1.9 36,-2.3 -2,-0.5 2,-0.4 -0.938 5.2-169.6-108.5 126.2 19.8 4.2 95.7 55 56 A G E +bc 7 90A 0 -49,-3.0 -47,-2.2 -2,-0.5 2,-0.3 -0.939 13.9 158.3-118.4 134.8 22.5 5.2 93.2 56 57 A C E -b 8 0A 0 34,-2.2 -47,-0.2 -2,-0.4 48,-0.1 -0.928 29.6-135.6-156.3 126.6 22.0 5.8 89.5 57 58 A S - 0 0 10 -49,-1.3 10,-1.7 -2,-0.3 2,-0.4 -0.389 26.6-119.6 -75.8 163.0 23.8 7.7 86.8 58 59 A T E +F 66 0B 25 34,-1.7 2,-0.2 8,-0.2 8,-0.2 -0.880 35.8 166.3-107.9 133.4 22.0 9.8 84.3 59 60 A W E +F 65 0B 113 6,-3.0 6,-2.8 -2,-0.4 43,-0.1 -0.705 37.2 78.3-126.0 178.4 22.1 9.2 80.5 60 61 A G - 0 0 20 -2,-0.2 2,-2.2 4,-0.2 3,-0.2 -0.079 56.5-151.1 111.5 -27.0 20.2 10.3 77.5 61 62 A D S S+ 0 0 103 1,-0.3 37,-0.4 4,-0.1 38,-0.4 -0.366 93.8 37.7 64.9 -78.2 21.5 13.8 76.7 62 63 A D S S+ 0 0 133 -2,-2.2 2,-0.3 36,-0.1 -1,-0.3 0.527 132.8 18.7 -84.3 -9.0 18.4 15.2 75.0 63 64 A S S S- 0 0 51 -3,-0.2 2,-0.6 36,-0.1 36,-0.1 -0.942 93.5 -91.9-146.8 164.4 16.1 13.4 77.5 64 65 A I + 0 0 72 -2,-0.3 2,-0.4 -4,-0.1 -4,-0.2 -0.756 44.8 175.2 -82.0 119.1 16.5 11.9 81.0 65 66 A E E -F 59 0B 101 -6,-2.8 -6,-3.0 -2,-0.6 38,-0.2 -0.994 25.2-131.1-122.5 134.3 17.3 8.2 80.7 66 67 A L E -F 58 0B 19 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.2 -0.526 44.0 -78.8 -75.5 150.4 18.2 6.2 83.8 67 68 A Q >> - 0 0 2 -10,-1.7 3,-1.4 -2,-0.2 4,-0.9 -0.181 50.5-116.8 -45.4 133.6 21.3 3.9 83.9 68 69 A D G >4 S+ 0 0 118 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.836 109.9 48.8 -54.8 -42.8 20.3 0.8 81.9 69 70 A D G 34 S+ 0 0 52 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.744 109.4 55.5 -72.5 -23.3 20.6 -1.8 84.7 70 71 A F G <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.681 83.7 84.2 -84.6 -19.7 18.5 0.4 87.1 71 72 A I H S+ 0 0 81 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.937 112.5 47.0 -62.0 -39.1 13.7 -2.4 85.9 73 74 A L H >4 S+ 0 0 6 -4,-0.4 3,-1.1 1,-0.2 -2,-0.2 0.942 112.7 49.9 -63.2 -44.1 14.1 -1.6 89.6 74 75 A F H >< S+ 0 0 44 -4,-2.6 3,-1.7 1,-0.3 4,-0.2 0.922 109.1 51.2 -55.8 -47.2 12.8 2.0 89.0 75 76 A D H 3< S+ 0 0 117 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.618 116.5 42.5 -70.0 -10.4 9.8 0.6 87.1 76 77 A S T X< S+ 0 0 37 -3,-1.1 3,-2.4 -4,-0.7 -1,-0.3 0.072 73.7 119.0-117.1 17.6 9.1 -1.7 90.1 77 78 A L G X + 0 0 1 -3,-1.7 3,-1.6 1,-0.3 5,-0.5 0.822 65.7 68.3 -62.6 -24.5 9.7 0.7 93.0 78 79 A E G 3 S+ 0 0 143 1,-0.3 -1,-0.3 -4,-0.2 3,-0.3 0.692 99.1 52.5 -65.6 -15.3 6.2 0.3 94.2 79 80 A E G < S+ 0 0 122 -3,-2.4 -35,-2.7 1,-0.2 -1,-0.3 0.306 88.5 81.7-100.4 5.3 7.0 -3.3 95.1 80 81 A T S < S- 0 0 0 -3,-1.6 -34,-2.4 -37,-0.2 -33,-0.4 0.600 101.6-110.6 -86.3 -17.7 10.1 -2.6 97.2 81 82 A G + 0 0 32 -4,-0.3 -3,-0.1 -3,-0.3 -2,-0.1 0.810 62.0 152.0 82.9 42.8 8.5 -1.6 100.6 82 83 A A > + 0 0 4 -5,-0.5 3,-1.7 2,-0.1 35,-0.2 0.647 30.0 112.0 -76.0 -17.8 9.5 2.0 100.3 83 84 A Q T 3 S- 0 0 146 1,-0.3 33,-0.3 -5,-0.1 32,-0.2 -0.389 96.1 -1.6 -68.4 131.4 6.6 3.4 102.4 84 85 A G T 3 S+ 0 0 49 31,-2.3 -1,-0.3 1,-0.2 2,-0.2 0.416 102.1 138.3 73.2 -3.4 8.0 4.7 105.7 85 86 A R < - 0 0 51 -3,-1.7 32,-3.1 1,-0.1 2,-0.6 -0.488 57.9-123.6 -75.8 139.7 11.5 3.7 104.7 86 87 A K E +cd 51 117A 68 -36,-0.5 -34,-2.4 -2,-0.2 2,-0.3 -0.664 47.4 163.6 -80.5 123.0 14.4 6.0 105.3 87 88 A V E -cd 52 118A 0 30,-2.5 32,-2.6 -2,-0.6 33,-0.6 -0.936 24.1-178.0-137.9 155.3 16.1 6.6 102.0 88 89 A A E -c 53 0A 0 -36,-1.8 -34,-1.9 -2,-0.3 2,-0.3 -0.976 17.4-140.2-150.5 157.8 18.5 8.8 100.2 89 90 A C E +c 54 0A 0 31,-0.5 34,-2.4 -2,-0.3 2,-0.3 -0.872 17.3 173.6-123.4 155.5 19.8 8.9 96.6 90 91 A F E +ce 55 123A 1 -36,-2.3 -34,-2.2 -2,-0.3 2,-0.3 -0.953 7.6 153.5-147.8 161.4 23.0 9.5 94.8 91 92 A G E - e 0 124A 0 32,-2.0 34,-2.7 -2,-0.3 2,-0.3 -0.927 34.9-108.4 179.8 164.3 24.3 9.3 91.3 92 93 A C E + e 0 125A 7 -2,-0.3 -34,-1.7 32,-0.2 2,-0.2 -0.743 43.2 139.2-102.6 152.4 26.9 10.7 88.8 93 94 A G E - e 0 126A 17 32,-2.5 34,-2.3 -2,-0.3 2,-0.3 -0.846 45.9-104.7-160.9-159.4 26.2 13.0 85.9 94 95 A D > - 0 0 67 -2,-0.2 3,-1.8 32,-0.2 7,-0.1 -0.943 15.5-142.0-151.0 122.7 27.7 16.0 84.1 95 96 A S T 3 S+ 0 0 64 -2,-0.3 5,-0.2 1,-0.3 31,-0.1 0.533 92.8 76.9 -68.5 -5.2 26.4 19.5 84.5 96 97 A S T 3 S+ 0 0 97 3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.698 82.1 85.6 -79.8 -13.3 27.0 20.4 80.9 97 98 A Y S < S- 0 0 115 -3,-1.8 3,-0.5 1,-0.1 -35,-0.1 -0.457 89.6-120.0 -79.8 155.6 23.9 18.3 80.0 98 99 A E S S+ 0 0 148 -37,-0.4 2,-0.7 1,-0.3 -1,-0.1 0.875 108.7 44.6 -63.3 -39.3 20.5 19.9 80.1 99 100 A Y S > S- 0 0 99 -38,-0.4 3,-1.7 -36,-0.1 2,-0.3 -0.688 82.9-161.8-113.2 75.4 19.2 17.4 82.8 100 101 A F T 3 S- 0 0 61 -2,-0.7 -5,-0.1 -3,-0.5 -7,-0.1 -0.421 75.4 -17.6 -64.7 119.1 22.0 17.2 85.3 101 102 A C T >> S+ 0 0 0 -2,-0.3 4,-1.4 -7,-0.1 3,-1.3 0.820 83.8 161.7 54.2 33.5 21.7 14.1 87.4 102 103 A G H <> + 0 0 0 -3,-1.7 4,-2.3 1,-0.3 5,-0.1 0.784 65.8 64.6 -56.5 -27.7 18.1 13.9 86.3 103 104 A A H 3> S+ 0 0 0 -4,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.863 99.0 52.3 -62.4 -38.5 18.0 10.2 87.4 104 105 A V H <> S+ 0 0 1 -3,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.937 110.0 49.2 -62.5 -44.9 18.5 11.3 91.0 105 106 A D H X S+ 0 0 73 -4,-1.4 4,-2.7 1,-0.2 5,-0.2 0.923 111.5 49.0 -54.0 -51.3 15.6 13.6 90.7 106 107 A A H X S+ 0 0 31 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.914 113.1 45.7 -59.9 -45.6 13.4 11.0 89.2 107 108 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.925 112.5 51.1 -68.5 -41.3 14.2 8.4 91.8 108 109 A E H X S+ 0 0 21 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.934 111.6 47.0 -57.3 -47.8 13.8 10.9 94.7 109 110 A E H X S+ 0 0 101 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.908 112.0 50.0 -68.0 -38.3 10.4 12.0 93.4 110 111 A K H X S+ 0 0 67 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.950 112.9 47.2 -63.7 -43.5 9.2 8.4 92.9 111 112 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-0.3 0.908 110.6 51.4 -59.6 -45.7 10.3 7.5 96.5 112 113 A K H ><5S+ 0 0 111 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.887 108.8 50.6 -58.5 -46.3 8.7 10.5 98.0 113 114 A N H 3<5S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.735 105.3 58.1 -72.1 -18.7 5.4 9.8 96.3 114 115 A L T 3<5S- 0 0 42 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.489 123.8-105.7 -79.3 -3.7 5.6 6.2 97.7 115 116 A G T < 5 + 0 0 26 -3,-1.6 -31,-2.3 -4,-0.3 -3,-0.2 0.643 67.6 151.5 86.6 10.0 5.8 7.6 101.2 116 117 A A < - 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