==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 17-OCT-91 3FX2 . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR W.WATT,K.D.WATENPAUGH . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 78.9 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 . 16 10.9 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 . 38 25.9 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 56 0, 0.0 30,-2.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 139.8 22.0 -0.6 111.7 2 3 A K E -a 31 0A 92 28,-0.2 48,-3.3 46,-0.0 49,-2.1 -0.929 360.0-171.3-111.2 115.8 21.3 -2.6 108.6 3 4 A A E -ab 32 51A 1 28,-2.8 30,-3.0 -2,-0.6 2,-0.4 -0.869 13.4-160.1-107.3 142.6 22.0 -0.8 105.3 4 5 A L E -ab 33 52A 0 47,-3.4 49,-3.3 -2,-0.4 2,-0.5 -0.979 6.5-169.8-113.1 132.7 21.3 -1.8 101.7 5 6 A I E -ab 34 53A 0 28,-3.9 30,-3.7 -2,-0.4 2,-0.5 -0.976 6.6-178.0-125.7 116.7 23.3 -0.0 98.9 6 7 A V E -ab 35 54A 0 47,-1.9 49,-2.2 -2,-0.5 2,-0.4 -0.964 8.6-177.9-107.7 128.0 22.0 -0.7 95.4 7 8 A Y E -ab 36 55A 25 28,-2.0 30,-3.7 -2,-0.5 2,-0.5 -0.964 26.8-162.1-138.6 153.1 23.8 0.7 92.4 8 9 A G E + b 0 56A 0 47,-1.8 49,-1.3 -2,-0.4 2,-0.4 -0.978 26.0 172.0-117.1 118.7 23.6 1.0 88.6 9 10 A S - 0 0 14 -2,-0.5 29,-0.1 47,-0.2 -2,-0.0 -0.984 20.7-177.5-133.4 133.4 27.0 2.0 87.1 10 11 A T S S+ 0 0 75 -2,-0.4 -1,-0.1 1,-0.1 46,-0.0 0.928 93.4 14.7 -91.7 -59.1 28.0 2.2 83.4 11 12 A T S S- 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.078 114.2-105.4-106.2 20.0 31.7 3.2 83.4 12 13 A G S > S+ 0 0 16 1,-0.1 4,-1.2 3,-0.0 5,-0.2 0.468 86.7 120.5 67.3 22.3 31.9 2.4 87.1 13 14 A N H > S+ 0 0 42 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.908 82.0 42.1 -79.9 -55.8 31.9 6.0 88.6 14 15 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.671 112.8 58.4 -60.5 -27.4 28.7 5.5 90.7 15 16 A E H > S+ 0 0 65 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.798 106.1 45.8 -72.8 -36.6 30.1 2.1 91.6 16 17 A Y H X S+ 0 0 44 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.798 111.8 53.6 -65.7 -37.2 33.3 3.6 93.0 17 18 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.969 107.0 50.4 -62.6 -49.5 31.1 6.0 94.8 18 19 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.703 109.1 52.3 -55.3 -35.7 29.0 3.1 96.3 19 20 A E H X S+ 0 0 106 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.871 109.2 49.1 -70.4 -42.3 32.2 1.5 97.5 20 21 A T H X S+ 0 0 14 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.888 112.4 47.4 -64.2 -52.5 33.3 4.6 99.2 21 22 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.842 112.0 52.6 -58.8 -40.1 29.9 5.1 100.9 22 23 A A H X S+ 0 0 15 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.790 109.5 45.6 -59.3 -49.5 30.0 1.3 102.0 23 24 A R H X S+ 0 0 159 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.841 111.8 53.8 -66.8 -42.1 33.5 1.5 103.6 24 25 A E H X S+ 0 0 26 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.860 114.2 43.1 -56.2 -47.3 32.4 4.8 105.4 25 26 A L H <>S+ 0 0 0 -4,-1.7 5,-2.9 2,-0.2 4,-0.4 0.876 113.9 48.1 -60.1 -53.0 29.4 2.9 106.7 26 27 A A H ><5S+ 0 0 50 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.912 108.4 55.5 -58.6 -51.2 31.2 -0.2 107.6 27 28 A D H 3<5S+ 0 0 107 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.729 103.9 57.1 -59.8 -19.0 33.9 1.8 109.4 28 29 A A T 3<5S- 0 0 48 -4,-0.7 -1,-0.3 -3,-0.1 -2,-0.2 0.619 127.3 -97.9 -88.8 -10.1 31.1 3.3 111.5 29 30 A G T < 5S+ 0 0 64 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.358 78.4 139.2 109.1 2.0 29.9 -0.1 112.7 30 31 A Y < - 0 0 37 -5,-2.9 2,-0.6 -6,-0.2 -1,-0.3 -0.391 56.3-124.9 -78.2 153.5 27.0 -0.5 110.2 31 32 A E E -a 2 0A 126 -30,-2.2 -28,-2.8 -2,-0.1 2,-0.5 -0.932 34.6-157.4 -90.4 122.1 26.3 -3.8 108.5 32 33 A V E -a 3 0A 43 -2,-0.6 2,-0.7 -30,-0.2 -28,-0.2 -0.940 19.3-169.2-116.2 115.4 26.5 -3.0 104.7 33 34 A D E -a 4 0A 55 -30,-3.0 -28,-3.9 -2,-0.5 2,-0.5 -0.874 15.3-168.9-102.3 107.0 24.8 -5.0 101.9 34 35 A S E +a 5 0A 55 -2,-0.7 2,-0.4 -30,-0.2 -28,-0.2 -0.857 10.2 174.7 -99.9 116.9 26.2 -3.7 98.6 35 36 A R E -a 6 0A 78 -30,-3.7 -28,-2.0 -2,-0.5 2,-0.2 -0.980 30.7-132.6-134.6 129.5 24.5 -4.8 95.4 36 37 A D E > -a 7 0A 46 -2,-0.4 3,-1.0 -30,-0.2 4,-0.4 -0.548 24.0-132.9 -70.2 135.4 24.8 -4.0 91.6 37 38 A A G > S+ 0 0 7 -30,-3.7 3,-0.6 1,-0.2 -29,-0.2 0.686 99.1 80.6 -64.5 -21.9 21.3 -3.4 90.2 38 39 A A G 3 S+ 0 0 66 -31,-0.5 -1,-0.2 1,-0.3 -30,-0.1 0.910 106.3 28.4 -42.0 -46.9 22.3 -5.7 87.3 39 40 A S G < S+ 0 0 80 -3,-1.0 -1,-0.3 2,-0.0 -2,-0.2 0.394 100.9 108.1 -94.2 -16.1 21.6 -8.6 89.6 40 41 A V < - 0 0 27 -3,-0.6 2,-0.4 -4,-0.4 -3,-0.0 -0.332 49.4-148.6 -81.8 169.4 18.9 -7.3 92.0 41 42 A E - 0 0 154 1,-0.1 32,-0.0 2,-0.1 -2,-0.0 -0.997 8.7-146.8-135.6 129.2 15.1 -7.9 92.4 42 43 A A > + 0 0 8 -2,-0.4 3,-2.2 2,-0.1 4,-0.3 0.752 62.4 110.4 -60.6 -40.1 12.5 -5.5 93.6 43 44 A G T 3 S- 0 0 60 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.396 111.9 -28.5 -53.5 110.1 10.1 -7.8 95.4 44 45 A G T > S+ 0 0 14 35,-2.2 3,-1.9 -2,-0.3 -1,-0.3 0.558 90.8 152.7 53.0 27.0 10.6 -6.7 99.0 45 46 A L T < S+ 0 0 12 -3,-2.2 36,-0.2 1,-0.3 -2,-0.1 0.778 70.7 44.5 -50.2 -41.6 14.2 -5.8 98.3 46 47 A F T > S+ 0 0 0 34,-2.2 3,-1.7 -4,-0.3 -1,-0.3 0.435 82.5 122.2 -85.1 -14.9 14.3 -3.2 101.0 47 48 A E T < S+ 0 0 133 -3,-1.9 3,-0.1 33,-0.5 35,-0.0 -0.375 77.7 20.9 -54.9 127.3 12.6 -5.4 103.7 48 49 A G T 3 S+ 0 0 47 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.382 96.8 118.5 89.4 6.6 14.9 -5.8 106.8 49 50 A F < - 0 0 22 -3,-1.7 -1,-0.3 1,-0.1 -46,-0.2 -0.842 47.6-166.5-111.3 135.4 17.0 -2.7 106.0 50 51 A D S S+ 0 0 87 -48,-3.3 36,-0.4 -2,-0.4 2,-0.3 0.687 86.3 27.7 -85.4 -25.7 17.2 0.2 108.4 51 52 A L E -b 3 0A 0 -49,-2.1 -47,-3.4 34,-0.1 2,-0.5 -0.992 63.6-168.5-141.5 130.9 18.8 2.3 105.6 52 53 A V E -bc 4 87A 0 34,-1.9 36,-1.6 -2,-0.3 2,-0.5 -0.986 6.9-169.4-118.9 115.0 18.5 2.0 101.8 53 54 A L E -bc 5 88A 0 -49,-3.3 -47,-1.9 -2,-0.5 2,-0.5 -0.977 7.0-161.1-108.3 118.5 21.0 4.0 99.6 54 55 A L E -bc 6 89A 1 34,-2.2 36,-2.6 -2,-0.5 2,-0.4 -0.872 8.1-174.0-106.3 129.5 20.2 4.2 95.8 55 56 A G E +bc 7 90A 0 -49,-2.2 -47,-1.8 -2,-0.5 2,-0.3 -0.972 11.7 154.2-124.0 138.5 22.9 5.2 93.3 56 57 A C E -b 8 0A 0 34,-2.0 48,-0.2 -2,-0.4 -47,-0.2 -0.937 32.5-127.1-165.2 137.0 22.6 5.8 89.5 57 58 A S - 0 0 11 -49,-1.3 10,-1.4 -2,-0.3 2,-0.4 -0.271 25.8-122.7 -79.5 160.8 24.3 7.7 86.8 58 59 A T E +F 66 0B 23 34,-1.3 2,-0.2 8,-0.2 8,-0.2 -0.944 36.4 161.7-111.8 125.0 22.5 10.0 84.4 59 60 A W E +F 65 0B 106 6,-3.3 6,-1.9 -2,-0.4 2,-0.2 -0.589 36.7 87.5-129.3-174.9 22.6 9.4 80.5 60 61 A G - 0 0 21 -2,-0.2 2,-2.6 4,-0.2 4,-0.2 -0.334 57.0-153.9 119.5 -57.1 20.4 10.7 77.8 61 62 A D S S+ 0 0 103 1,-0.2 37,-0.6 -2,-0.2 38,-0.3 -0.441 92.0 29.0 78.2 -69.6 22.0 14.0 76.9 62 63 A D S S+ 0 0 121 -2,-2.6 2,-0.3 36,-0.1 -1,-0.2 0.506 134.2 23.6-103.8 -2.3 18.9 15.6 75.6 63 64 A S S S- 0 0 50 36,-0.1 2,-0.7 -4,-0.0 36,-0.1 -0.865 95.1 -94.4-144.6 167.6 16.4 13.7 77.8 64 65 A I + 0 0 75 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.842 43.1 175.1 -93.9 123.9 16.9 12.0 81.2 65 66 A E E -F 59 0B 96 -6,-1.9 -6,-3.3 -2,-0.7 2,-0.2 -0.974 26.1-129.1-127.1 129.0 17.7 8.2 81.0 66 67 A L E -F 58 0B 21 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.2 -0.576 44.4 -78.0 -70.8 146.2 18.6 6.2 84.0 67 68 A Q >> - 0 0 0 -10,-1.4 3,-1.5 -2,-0.2 4,-1.4 -0.138 51.0-115.2 -45.2 132.3 21.7 4.1 84.0 68 69 A D T 34 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.799 111.4 46.5 -44.4 -53.0 20.8 0.9 82.1 69 70 A D T 34 S+ 0 0 52 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.664 111.7 57.4 -59.0 -27.6 21.1 -1.7 84.8 70 71 A F T X> S+ 0 0 0 -3,-1.5 4,-2.0 2,-0.1 3,-0.8 0.813 84.5 78.3 -74.6 -39.8 19.1 0.6 87.0 71 72 A I H 3X S+ 0 0 62 -4,-1.4 4,-4.0 1,-0.2 5,-0.2 0.885 88.7 54.1 -41.5 -56.9 15.9 1.1 84.9 72 73 A P H 3> S+ 0 0 75 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.904 111.4 45.9 -49.8 -46.0 14.2 -2.2 85.7 73 74 A L H <4 S+ 0 0 10 -3,-0.8 4,-0.2 -4,-0.3 -2,-0.2 0.897 112.3 51.9 -65.0 -49.2 14.4 -1.6 89.4 74 75 A F H >< S+ 0 0 42 -4,-2.0 3,-1.1 1,-0.2 4,-0.3 0.878 105.5 54.5 -50.2 -50.9 13.2 1.9 88.9 75 76 A D H 3< S+ 0 0 113 -4,-4.0 3,-0.3 -5,-0.2 -1,-0.2 0.917 117.0 38.8 -52.7 -43.0 10.3 0.6 87.0 76 77 A S T >< S+ 0 0 42 -4,-1.5 3,-2.6 -5,-0.2 -1,-0.2 0.063 72.8 118.2 -90.1 9.7 9.5 -1.7 90.1 77 78 A L G X> + 0 0 1 -3,-1.1 3,-2.2 1,-0.3 4,-0.5 0.841 67.9 70.1 -48.2 -32.5 10.2 0.6 93.1 78 79 A E G 34 S+ 0 0 149 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.754 100.8 50.9 -64.2 -5.4 6.5 0.3 94.2 79 80 A E G <4 S+ 0 0 107 -3,-2.6 -35,-2.2 1,-0.1 -1,-0.3 0.493 87.0 80.6-115.8 13.9 7.5 -3.3 95.0 80 81 A T T <4 S- 0 0 0 -3,-2.2 -34,-2.2 -37,-0.2 -33,-0.5 0.715 103.3-107.9 -90.9 -17.8 10.6 -2.9 97.1 81 82 A G < + 0 0 28 -4,-0.5 -3,-0.1 -35,-0.2 -2,-0.1 0.849 62.2 154.8 86.4 55.5 8.9 -2.0 100.4 82 83 A A > + 0 0 5 -5,-0.4 3,-0.8 2,-0.1 35,-0.2 0.599 27.2 109.9 -81.6 -28.3 9.8 1.7 100.5 83 84 A Q T 3 S+ 0 0 137 1,-0.3 33,-0.3 33,-0.1 32,-0.2 -0.378 95.6 0.5 -62.4 130.0 7.1 3.2 102.6 84 85 A G T 3 S+ 0 0 47 31,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.247 101.9 132.8 78.5 -23.5 8.3 4.4 106.0 85 86 A R < - 0 0 56 -3,-0.8 32,-3.9 1,-0.1 2,-0.5 -0.390 61.7-123.3 -57.1 134.2 11.7 3.2 104.9 86 87 A K E + d 0 117A 59 -36,-0.4 -34,-1.9 30,-0.2 2,-0.3 -0.740 44.3 167.7 -80.8 117.7 14.7 5.6 105.5 87 88 A V E -cd 52 118A 0 30,-2.8 32,-1.8 -2,-0.5 33,-0.7 -0.916 24.5-172.9-139.5 154.2 16.5 6.3 102.1 88 89 A A E -c 53 0A 0 -36,-1.6 -34,-2.2 -2,-0.3 2,-0.3 -0.959 17.9-144.5-141.7 158.2 19.1 8.6 100.5 89 90 A C E +c 54 0A 1 31,-0.3 34,-2.1 -2,-0.3 2,-0.3 -0.886 16.9 176.0-134.8 152.8 20.1 8.7 96.8 90 91 A F E +ce 55 123A 2 -36,-2.6 -34,-2.0 -2,-0.3 2,-0.3 -0.950 5.9 152.4-153.5 157.6 23.4 9.3 95.0 91 92 A G E - e 0 124A 0 32,-1.9 34,-3.4 -2,-0.3 2,-0.3 -0.887 35.5-104.8 176.7 162.5 24.8 9.4 91.5 92 93 A C E + e 0 125A 9 -2,-0.3 -34,-1.3 32,-0.2 2,-0.3 -0.665 43.1 143.3-104.4 146.7 27.3 10.6 89.0 93 94 A G E - e 0 126A 16 32,-2.4 34,-2.6 -2,-0.3 2,-0.4 -0.905 43.9-107.9-158.3-170.0 26.6 13.2 86.3 94 95 A D > - 0 0 69 -2,-0.3 3,-1.7 32,-0.2 7,-0.1 -0.965 15.5-143.7-146.8 117.0 28.1 16.1 84.4 95 96 A S T 3 S+ 0 0 67 -2,-0.4 5,-0.2 1,-0.3 -1,-0.1 0.486 92.3 76.3 -61.0 -5.8 26.9 19.6 84.9 96 97 A S T 3 S+ 0 0 97 3,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.630 80.2 83.6 -78.7 -29.1 27.4 20.4 81.2 97 98 A Y S < S- 0 0 111 -3,-1.7 3,-0.5 1,-0.1 -35,-0.1 -0.539 90.8-115.2 -78.9 159.5 24.3 18.5 80.3 98 99 A E S S+ 0 0 147 -37,-0.6 2,-0.6 1,-0.3 -1,-0.1 0.850 111.1 42.6 -57.0 -48.1 20.8 20.1 80.5 99 100 A Y S > S- 0 0 97 -38,-0.3 3,-1.4 -36,-0.1 -1,-0.3 -0.794 81.8-159.2-106.4 75.9 19.7 17.6 83.2 100 101 A F T 3 S- 0 0 59 -2,-0.6 -5,-0.1 -3,-0.5 -7,-0.1 -0.399 77.3 -19.2 -57.3 117.1 22.6 17.3 85.7 101 102 A C T >> S+ 0 0 1 -2,-0.2 4,-1.3 1,-0.2 3,-0.8 0.849 81.3 163.0 48.1 43.5 22.1 14.0 87.6 102 103 A G H <> + 0 0 1 -3,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.648 67.2 68.6 -66.4 -20.7 18.4 13.9 86.7 103 104 A A H 3> S+ 0 0 0 2,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.934 98.5 49.6 -68.3 -35.6 18.5 10.2 87.7 104 105 A V H <> S+ 0 0 2 -3,-0.8 4,-2.5 -48,-0.2 5,-0.3 0.940 110.8 50.7 -62.2 -48.8 18.9 11.3 91.4 105 106 A D H X S+ 0 0 75 -4,-1.3 4,-2.4 1,-0.2 5,-0.3 0.964 112.3 46.4 -43.2 -65.2 16.0 13.7 91.0 106 107 A A H X S+ 0 0 31 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.902 112.4 47.6 -48.3 -58.2 13.8 11.0 89.5 107 108 A I H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.934 111.3 49.4 -55.1 -54.1 14.5 8.3 92.1 108 109 A E H X S+ 0 0 23 -4,-2.5 4,-3.3 -5,-0.2 -2,-0.2 0.939 112.0 49.9 -53.0 -47.7 14.1 10.5 95.2 109 110 A E H X S+ 0 0 103 -4,-2.4 4,-2.7 1,-0.3 5,-0.3 0.912 110.7 47.8 -57.7 -44.0 10.7 11.8 93.9 110 111 A K H X S+ 0 0 68 -4,-2.3 4,-1.0 -5,-0.3 -1,-0.3 0.871 113.0 49.8 -64.8 -43.5 9.5 8.3 93.2 111 112 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.4 0.895 109.3 52.3 -54.8 -54.6 10.7 7.3 96.7 112 113 A K H ><5S+ 0 0 104 -4,-3.3 3,-1.0 1,-0.2 -2,-0.2 0.816 109.4 46.8 -49.7 -47.1 8.9 10.3 98.1 113 114 A N H 3<5S+ 0 0 125 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.672 106.2 61.6 -72.4 -25.7 5.5 9.4 96.5 114 115 A L T 3<5S- 0 0 35 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.640 123.1-105.2 -69.1 -17.9 6.0 5.9 97.6 115 116 A G T < 5S+ 0 0 33 -3,-1.0 -31,-2.7 -4,-0.4 -3,-0.2 0.492 70.9 146.4 100.7 14.2 5.9 7.0 101.3 116 117 A A < - 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