==== 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 25-MAY-01 1J9G . 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) . 6938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 18.4 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 . 14 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 25.2 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 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 2 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 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 82 0, 0.0 30,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.5 83.1 92.5 -38.5 2 3 A K E -a 31 0A 78 28,-0.2 48,-2.1 46,-0.1 49,-1.6 -0.896 360.0-172.7-108.5 133.2 80.3 90.0 -38.7 3 4 A A E -ab 32 51A 0 28,-2.3 30,-2.8 -2,-0.4 2,-0.5 -0.978 8.9-154.8-126.6 136.4 80.3 87.1 -41.2 4 5 A L E -ab 33 52A 0 47,-3.1 49,-3.6 -2,-0.4 2,-0.5 -0.930 6.2-168.6-111.5 131.2 77.4 84.6 -41.9 5 6 A I E -ab 34 53A 0 28,-2.9 30,-3.3 -2,-0.5 2,-0.5 -0.980 5.5-178.5-121.0 120.0 78.1 81.1 -43.3 6 7 A V E -ab 35 54A 0 47,-2.5 49,-3.2 -2,-0.5 2,-0.4 -0.979 9.1-177.3-119.7 127.9 75.1 79.1 -44.6 7 8 A Y E -ab 36 55A 23 28,-1.8 30,-3.5 -2,-0.5 2,-0.6 -0.949 24.6-153.7-131.4 148.2 75.7 75.6 -45.9 8 9 A G E + b 0 56A 0 47,-1.5 49,-1.2 -2,-0.4 2,-0.4 -0.979 32.3 162.5-115.3 114.1 73.7 72.8 -47.5 9 10 A S + 0 0 13 -2,-0.6 -2,-0.1 47,-0.1 47,-0.0 -0.982 23.2 173.6-142.3 129.3 75.3 69.5 -46.7 10 11 A T S S+ 0 0 86 -2,-0.4 -1,-0.1 1,-0.0 0, 0.0 0.812 90.2 25.1-101.3 -39.7 73.9 65.9 -46.9 11 12 A T S S- 0 0 99 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.401 113.4-106.7-105.2 1.3 76.9 63.7 -46.1 12 13 A G S > S+ 0 0 14 4,-0.0 4,-2.0 3,-0.0 5,-0.1 0.472 87.9 113.2 93.0 2.3 78.7 66.4 -44.2 13 14 A N H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.951 83.4 41.7 -72.7 -47.8 81.5 67.4 -46.6 14 15 A T H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.798 114.8 54.8 -68.3 -26.5 80.3 70.9 -47.2 15 16 A E H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 107.5 48.0 -71.1 -43.7 79.5 71.2 -43.5 16 17 A Y H X S+ 0 0 38 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.920 111.5 51.7 -60.8 -42.9 83.1 70.2 -42.6 17 18 A T H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.898 108.2 51.7 -61.1 -40.0 84.2 72.8 -45.2 18 19 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.925 109.3 48.6 -63.4 -45.8 82.0 75.4 -43.6 19 20 A E H X S+ 0 0 102 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.902 109.9 52.4 -61.6 -41.7 83.4 74.8 -40.1 20 21 A T H X S+ 0 0 10 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.888 111.7 46.9 -61.6 -39.0 87.0 75.0 -41.4 21 22 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.944 109.5 53.9 -66.8 -47.7 86.1 78.3 -43.0 22 23 A A H X S+ 0 0 12 -4,-3.0 4,-3.5 1,-0.2 5,-0.2 0.905 106.9 51.5 -52.6 -48.2 84.5 79.5 -39.7 23 24 A R H X S+ 0 0 146 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.956 109.2 49.5 -55.4 -55.2 87.6 78.8 -37.7 24 25 A E H X S+ 0 0 26 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.942 116.3 42.2 -48.6 -56.0 89.9 80.7 -40.1 25 26 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 -1,-0.2 0.916 114.1 51.8 -58.7 -46.6 87.6 83.7 -40.0 26 27 A A H ><5S+ 0 0 41 -4,-3.5 3,-1.5 -5,-0.2 -1,-0.2 0.913 110.2 48.4 -58.1 -45.0 87.0 83.4 -36.2 27 28 A D H 3<5S+ 0 0 116 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.830 105.7 58.8 -65.7 -32.0 90.8 83.3 -35.6 28 29 A A T 3<5S- 0 0 46 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.407 130.8 -93.8 -77.9 3.4 91.3 86.3 -37.9 29 30 A G T < 5S+ 0 0 62 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.302 80.1 137.8 105.0 -11.3 89.0 88.3 -35.6 30 31 A Y < - 0 0 32 -5,-2.4 2,-0.8 -6,-0.2 -1,-0.3 -0.341 54.7-130.8 -70.0 151.5 85.6 87.8 -37.3 31 32 A E E -a 2 0A 130 -30,-2.3 -28,-2.3 2,-0.0 2,-0.4 -0.921 36.2-157.6 -98.8 107.4 82.5 87.1 -35.3 32 33 A V E -a 3 0A 45 -2,-0.8 2,-0.6 -30,-0.2 -28,-0.2 -0.774 19.9-166.7 -99.5 135.9 81.2 84.1 -37.3 33 34 A D E -a 4 0A 52 -30,-2.8 -28,-2.9 -2,-0.4 2,-0.6 -0.930 13.3-172.4-118.0 102.7 77.6 82.9 -37.4 34 35 A S E +a 5 0A 48 -2,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.875 9.2 174.2-103.0 118.2 77.5 79.5 -39.1 35 36 A R E -a 6 0A 80 -30,-3.3 -28,-1.8 -2,-0.6 2,-0.3 -0.944 33.2-119.6-128.0 146.5 74.1 78.0 -39.8 36 37 A D E > -a 7 0A 43 -2,-0.4 3,-2.2 -30,-0.2 4,-0.3 -0.645 27.5-128.0 -79.1 133.2 72.8 74.9 -41.6 37 38 A A G > S+ 0 0 5 -30,-3.5 3,-1.2 -2,-0.3 -29,-0.1 0.798 107.1 65.7 -52.4 -30.3 70.6 75.9 -44.6 38 39 A A G 3 S+ 0 0 65 -31,-0.4 -1,-0.3 1,-0.2 -30,-0.1 0.775 102.1 47.6 -64.3 -26.4 67.9 73.7 -43.2 39 40 A S G < S+ 0 0 90 -3,-2.2 -1,-0.2 2,-0.0 2,-0.2 0.363 97.9 87.6 -99.1 6.2 67.5 75.9 -40.1 40 41 A V < - 0 0 20 -3,-1.2 2,-0.4 -4,-0.3 33,-0.0 -0.670 61.0-141.1-109.3 162.7 67.3 79.3 -41.8 41 42 A E - 0 0 155 -2,-0.2 4,-0.0 1,-0.1 32,-0.0 -0.932 15.6-139.1-115.3 139.5 64.6 81.6 -43.3 42 43 A A S > S+ 0 0 15 -2,-0.4 3,-2.8 2,-0.1 4,-0.3 0.941 70.1 105.8 -63.7 -50.4 65.4 83.6 -46.4 43 44 A G T 3 S- 0 0 54 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.057 108.4 -25.2 -40.0 105.9 63.6 86.8 -45.4 44 45 A G T > S+ 0 0 32 35,-3.4 3,-1.6 1,-0.1 -1,-0.3 0.719 88.9 151.8 59.6 23.3 66.3 89.4 -44.5 45 46 A L T < + 0 0 14 -3,-2.8 36,-0.1 1,-0.3 -2,-0.1 0.812 69.1 46.4 -54.3 -36.7 68.7 86.6 -43.7 46 47 A F T > S+ 0 0 0 34,-2.2 3,-2.2 -4,-0.3 -1,-0.3 0.512 80.5 131.9 -87.8 -3.4 71.8 88.6 -44.5 47 48 A E T < S+ 0 0 129 -3,-1.6 3,-0.1 33,-0.4 34,-0.0 -0.211 76.2 11.7 -51.3 128.9 70.7 91.7 -42.6 48 49 A G T 3 S+ 0 0 39 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.406 97.3 122.3 85.3 -2.8 73.4 93.0 -40.4 49 50 A F < - 0 0 20 -3,-2.2 -1,-0.2 1,-0.1 37,-0.2 -0.778 47.4-161.8-100.6 139.5 76.2 90.9 -41.8 50 51 A D S S+ 0 0 91 -48,-2.1 36,-0.5 -2,-0.4 2,-0.4 0.761 83.7 23.3 -84.0 -27.4 79.4 92.4 -43.3 51 52 A L E -b 3 0A 1 -49,-1.6 -47,-3.1 34,-0.1 2,-0.5 -0.996 65.2-164.5-144.0 133.7 80.3 89.1 -45.2 52 53 A V E -bc 4 87A 0 34,-2.3 36,-1.6 -2,-0.4 2,-0.5 -0.977 3.5-170.8-123.3 124.5 78.1 86.2 -46.3 53 54 A L E -bc 5 88A 0 -49,-3.6 -47,-2.5 -2,-0.5 2,-0.5 -0.961 5.7-164.3-115.8 124.8 79.5 82.9 -47.4 54 55 A L E -bc 6 89A 0 34,-2.0 36,-2.2 -2,-0.5 2,-0.4 -0.932 6.0-174.4-113.3 126.6 77.2 80.3 -49.0 55 56 A G E +bc 7 90A 0 -49,-3.2 -47,-1.5 -2,-0.5 2,-0.3 -0.931 10.7 159.0-119.9 144.6 78.2 76.7 -49.3 56 57 A C E -b 8 0A 0 34,-1.7 -47,-0.1 -2,-0.4 2,-0.1 -0.926 29.9-131.9-166.3 134.9 76.3 73.9 -51.1 57 58 A S - 0 0 10 -49,-1.2 10,-1.2 -2,-0.3 2,-0.3 -0.452 28.8-118.3 -85.8 163.6 76.9 70.5 -52.6 58 59 A T E +F 66 0B 26 34,-1.1 2,-0.2 8,-0.2 8,-0.2 -0.820 36.4 160.9-107.8 143.6 75.8 69.5 -56.0 59 60 A W E +F 65 0B 108 6,-3.0 6,-2.1 -2,-0.3 2,-0.4 -0.700 38.4 78.8-141.0-168.4 73.4 66.7 -57.0 60 61 A G - 0 0 27 -2,-0.2 2,-2.2 4,-0.2 4,-0.2 -0.240 58.1-158.3 94.8 -45.8 71.1 65.3 -59.7 61 62 A D S S+ 0 0 86 -2,-0.4 37,-0.3 2,-0.3 38,-0.3 -0.459 88.3 50.1 71.8 -75.7 73.9 63.8 -61.8 62 63 A D S S+ 0 0 123 -2,-2.2 2,-0.3 36,-0.1 -1,-0.3 0.487 131.3 14.2 -69.9 -3.5 72.1 63.7 -65.1 63 64 A C S S- 0 0 54 -4,-0.1 2,-0.6 36,-0.0 -2,-0.3 -0.957 94.6 -90.4-161.8 164.5 71.2 67.3 -64.3 64 65 A I + 0 0 67 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.770 49.2 163.8 -91.7 119.9 72.4 70.1 -62.0 65 66 A E E -F 59 0B 86 -6,-2.1 -6,-3.0 -2,-0.6 38,-0.2 -0.966 30.9-125.2-134.2 148.9 70.5 70.2 -58.7 66 67 A L E -F 58 0B 19 -2,-0.3 -8,-0.2 -8,-0.2 5,-0.1 -0.556 45.0 -81.9 -90.1 158.5 71.3 71.9 -55.4 67 68 A Q >> - 0 0 0 -10,-1.2 3,-1.5 -2,-0.2 4,-1.3 -0.378 46.9-119.1 -57.7 130.7 71.4 70.2 -52.0 68 69 A D T 34 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.779 109.7 54.8 -44.5 -41.2 67.8 69.9 -50.8 69 70 A D T 34 S+ 0 0 63 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.836 110.5 47.4 -66.7 -29.2 68.3 71.9 -47.6 70 71 A F T X> S+ 0 0 0 -3,-1.5 4,-2.4 1,-0.2 3,-0.5 0.759 90.3 81.9 -83.7 -25.7 69.7 74.8 -49.6 71 72 A I H 3X S+ 0 0 42 -4,-1.3 4,-3.3 1,-0.2 5,-0.3 0.888 88.4 52.8 -48.0 -50.8 67.0 74.9 -52.3 72 73 A P H 3> S+ 0 0 81 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.907 112.3 46.3 -55.0 -41.1 64.4 76.9 -50.3 73 74 A L H <4 S+ 0 0 5 -3,-0.5 3,-0.2 -4,-0.4 -2,-0.2 0.899 113.6 49.3 -67.1 -41.1 67.1 79.6 -49.6 74 75 A F H >< S+ 0 0 36 -4,-2.4 3,-2.1 1,-0.2 4,-0.2 0.953 107.5 52.8 -63.7 -49.6 68.2 79.6 -53.2 75 76 A D H 3< S+ 0 0 92 -4,-3.3 -1,-0.2 1,-0.3 3,-0.2 0.748 117.7 39.6 -59.1 -23.1 64.7 80.0 -54.5 76 77 A S T >< S+ 0 0 40 -4,-1.0 3,-2.3 -5,-0.3 -1,-0.3 0.076 74.9 123.0-114.0 23.6 64.2 83.0 -52.2 77 78 A L G X + 0 0 0 -3,-2.1 3,-1.6 1,-0.3 5,-0.5 0.762 64.5 70.2 -55.8 -26.4 67.6 84.6 -52.6 78 79 A E G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.649 98.6 50.4 -67.7 -12.4 66.0 87.8 -53.8 79 80 A E G < S+ 0 0 116 -3,-2.3 -35,-3.4 1,-0.1 -34,-0.3 0.314 87.8 83.5-107.0 8.2 64.7 88.3 -50.2 80 81 A T S < S- 0 0 0 -3,-1.6 -34,-2.2 -37,-0.2 -33,-0.4 0.759 102.1-110.3 -82.4 -26.7 68.0 87.8 -48.4 81 82 A G + 0 0 23 -4,-0.4 -3,-0.1 -3,-0.1 -2,-0.1 0.807 62.7 151.3 96.5 40.0 69.4 91.3 -48.8 82 83 A A > + 0 0 4 -5,-0.5 3,-2.2 2,-0.1 2,-0.3 0.572 28.3 121.0 -78.5 -11.9 72.1 90.4 -51.2 83 84 A Q T 3 S- 0 0 150 1,-0.3 33,-0.2 -5,-0.1 32,-0.2 -0.380 96.6 -9.8 -58.0 114.5 72.1 93.9 -52.8 84 85 A G T 3 S+ 0 0 50 31,-3.3 -1,-0.3 -2,-0.3 2,-0.2 0.509 101.8 147.1 73.2 3.6 75.6 95.3 -52.3 85 86 A R < - 0 0 43 -3,-2.2 32,-3.1 30,-0.1 2,-0.7 -0.524 52.0-126.5 -76.6 137.4 76.4 92.4 -50.0 86 87 A K E + d 0 117A 60 -36,-0.5 -34,-2.3 -2,-0.2 2,-0.3 -0.750 47.2 162.5 -84.3 114.8 80.0 91.1 -50.0 87 88 A V E -cd 52 118A 0 30,-2.3 32,-2.0 -2,-0.7 33,-0.5 -0.871 26.4-175.0-134.6 166.1 79.7 87.4 -50.6 88 89 A A E -c 53 0A 0 -36,-1.6 -34,-2.0 -2,-0.3 2,-0.3 -0.969 16.8-142.6-155.6 151.1 81.6 84.3 -51.7 89 90 A C E +c 54 0A 0 31,-0.4 34,-2.3 -2,-0.3 2,-0.3 -0.856 17.6 170.1-125.3 158.3 80.6 80.7 -52.3 90 91 A F E +ce 55 123A 0 -36,-2.2 -34,-1.7 -2,-0.3 2,-0.3 -0.929 4.1 161.2-151.7 172.0 81.9 77.2 -51.8 91 92 A G E - e 0 124A 0 32,-1.5 34,-2.4 -2,-0.3 2,-0.3 -0.912 32.9-109.9 173.9 159.6 80.8 73.6 -52.1 92 93 A C E + e 0 125A 8 -2,-0.3 -34,-1.1 32,-0.2 2,-0.2 -0.827 41.0 153.2-107.4 147.5 81.9 70.0 -52.4 93 94 A G E - e 0 126A 18 32,-2.7 34,-2.1 -2,-0.3 2,-0.3 -0.781 38.9-111.3-150.3-165.5 81.4 67.9 -55.5 94 95 A D > - 0 0 65 -2,-0.2 3,-2.3 32,-0.2 7,-0.1 -0.931 9.0-150.0-145.8 115.0 82.9 65.0 -57.4 95 96 A S T 3 S+ 0 0 70 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.658 91.8 79.8 -60.1 -13.9 84.7 65.4 -60.7 96 97 A S T 3 S+ 0 0 104 3,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.696 86.3 71.7 -66.2 -18.7 83.4 61.9 -61.6 97 98 A Y S < S- 0 0 126 -3,-2.3 3,-0.3 1,-0.1 -35,-0.1 -0.534 95.0-113.0 -93.7 166.2 80.1 63.5 -62.4 98 99 A E S S+ 0 0 156 -37,-0.3 2,-0.8 1,-0.2 -1,-0.1 0.858 104.4 46.0 -68.8 -38.6 79.5 65.7 -65.4 99 100 A Y S > S- 0 0 109 -38,-0.3 3,-1.6 -36,-0.1 2,-0.3 -0.757 81.6-149.0-111.7 87.2 78.9 69.1 -63.8 100 101 A F T 3 S- 0 0 69 -2,-0.8 -5,-0.1 1,-0.3 -7,-0.1 -0.347 75.6 -23.8 -60.1 115.4 81.6 69.6 -61.1 101 102 A C T >> S+ 0 0 1 -2,-0.3 3,-1.9 1,-0.1 4,-0.7 0.811 80.4 162.8 51.1 37.2 80.3 71.7 -58.2 102 103 A G H <> + 0 0 8 -3,-1.6 4,-2.2 1,-0.3 3,-0.4 0.791 64.6 71.6 -54.7 -29.3 77.6 73.2 -60.5 103 104 A A H 3> S+ 0 0 0 1,-0.2 4,-2.0 -4,-0.2 -1,-0.3 0.855 93.6 56.0 -56.0 -35.1 75.7 74.3 -57.4 104 105 A V H <> S+ 0 0 0 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.880 107.0 47.0 -66.4 -39.6 78.5 76.8 -56.8 105 106 A D H X S+ 0 0 82 -4,-0.7 4,-3.3 -3,-0.4 5,-0.2 0.925 110.6 53.2 -66.9 -44.7 78.0 78.5 -60.2 106 107 A A H X S+ 0 0 30 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.896 112.8 42.8 -56.8 -46.0 74.2 78.6 -59.8 107 108 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.923 115.0 49.8 -68.9 -44.6 74.5 80.4 -56.5 108 109 A E H X S+ 0 0 32 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.946 111.5 49.2 -58.5 -49.3 77.2 82.7 -57.7 109 110 A E H X S+ 0 0 90 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.891 113.6 44.6 -58.3 -44.6 75.2 83.6 -60.8 110 111 A K H X S+ 0 0 43 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.868 112.0 52.2 -71.8 -34.1 72.0 84.3 -59.0 111 112 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-0.2 0.894 110.2 50.5 -66.1 -37.2 73.8 86.3 -56.3 112 113 A K H ><5S+ 0 0 118 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.924 108.3 50.6 -65.3 -45.3 75.4 88.4 -59.1 113 114 A N H 3<5S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.708 107.3 56.3 -66.3 -19.5 72.1 89.0 -60.7 114 115 A L T 3<5S- 0 0 46 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.384 124.9-100.2 -93.0 2.5 70.7 90.2 -57.4 115 116 A G T < 5 + 0 0 29 -3,-1.7 -31,-3.3 1,-0.2 -3,-0.2 0.690 69.5 149.3 90.2 20.8 73.5 92.8 -57.0 116 117 A A < - 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