==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 17-OCT-91 4FX2 . 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) . 7142.0 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 . 29 19.7 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 . 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 0 0 1 0 2 1 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 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 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 60 0, 0.0 30,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 149.8 22.4 -0.9 112.0 2 3 A K E -a 31 0A 91 28,-0.2 48,-3.9 30,-0.1 49,-1.3 -0.978 360.0-166.0-126.2 130.3 22.3 -2.7 108.7 3 4 A A E -ab 32 51A 1 28,-2.9 30,-3.0 -2,-0.4 2,-0.4 -0.775 12.6-149.3-119.7 145.2 22.6 -0.8 105.5 4 5 A L E -ab 33 52A 0 47,-2.3 49,-3.4 -2,-0.3 2,-0.5 -0.953 11.2-169.6-112.8 124.0 21.9 -1.8 101.8 5 6 A I E +ab 34 53A 0 28,-2.9 30,-3.4 -2,-0.4 2,-0.4 -1.000 6.9 179.1-111.1 121.8 23.9 -0.1 99.1 6 7 A V E -ab 35 54A 0 47,-1.9 49,-3.0 -2,-0.5 2,-0.4 -0.996 9.9-172.9-120.3 125.7 22.7 -0.7 95.4 7 8 A Y E -ab 36 55A 34 28,-2.5 30,-4.2 -2,-0.4 2,-0.5 -0.933 24.6-160.0-127.9 154.7 24.6 1.0 92.6 8 9 A G E + b 0 56A 0 47,-1.8 49,-1.4 -2,-0.4 2,-0.4 -0.972 27.3 166.1-131.8 104.7 24.3 1.5 88.9 9 10 A S + 0 0 16 -2,-0.5 60,-0.1 47,-0.1 -2,-0.0 -0.996 22.1 179.3-131.9 127.2 27.7 2.3 87.3 10 11 A T S S+ 0 0 75 -2,-0.4 -1,-0.1 58,-0.0 0, 0.0 0.841 94.4 18.4 -88.9 -51.2 28.7 2.3 83.6 11 12 A T S S- 0 0 99 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.271 113.8-105.9-108.0 22.1 32.3 3.4 83.8 12 13 A G S > S+ 0 0 22 4,-0.0 4,-1.7 3,-0.0 -3,-0.1 0.542 87.3 118.6 56.4 35.1 32.6 2.5 87.5 13 14 A N H > S+ 0 0 46 2,-0.3 4,-1.5 3,-0.2 -4,-0.1 0.937 85.9 38.7 -84.8 -47.6 32.6 6.1 88.9 14 15 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.745 114.2 58.1 -77.7 -31.9 29.5 5.5 90.9 15 16 A E H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -2,-0.3 0.936 107.6 45.0 -58.7 -50.0 30.9 2.0 91.6 16 17 A Y H X S+ 0 0 40 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.862 112.0 54.7 -58.0 -46.5 34.0 3.6 93.1 17 18 A T H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 3,-0.3 0.914 104.4 52.1 -51.0 -52.0 31.6 6.0 95.0 18 19 A A H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.853 109.4 51.4 -59.4 -42.1 29.6 3.0 96.5 19 20 A E H X S+ 0 0 107 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.810 107.3 50.5 -64.9 -46.1 32.9 1.5 97.8 20 21 A T H X S+ 0 0 14 -4,-1.4 4,-1.5 -3,-0.3 -2,-0.2 0.936 113.8 46.7 -58.3 -55.1 34.1 4.6 99.5 21 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.823 111.1 51.0 -55.3 -51.8 30.7 4.9 101.3 22 23 A A H X S+ 0 0 16 -4,-2.1 4,-3.5 2,-0.2 5,-0.3 0.908 109.2 50.4 -54.8 -48.1 30.7 1.2 102.2 23 24 A R H X S+ 0 0 141 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.914 111.4 50.4 -55.5 -49.5 34.2 1.5 103.8 24 25 A E H X S+ 0 0 36 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.905 114.0 43.0 -48.8 -66.7 32.9 4.6 105.7 25 26 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 3,-1.2 0.955 115.0 49.6 -54.2 -50.6 29.9 2.8 107.0 26 27 A A H ><5S+ 0 0 37 -4,-3.5 3,-1.4 1,-0.3 -2,-0.2 0.863 108.8 51.9 -62.1 -41.2 31.8 -0.5 107.8 27 28 A D H 3<5S+ 0 0 118 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.748 104.7 58.0 -65.1 -30.3 34.6 1.3 109.8 28 29 A A T <<5S- 0 0 50 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.450 128.1 -99.8 -76.9 -7.2 31.9 3.0 111.8 29 30 A G T < 5S+ 0 0 61 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.312 75.8 143.1 98.4 2.2 30.6 -0.4 112.9 30 31 A Y < - 0 0 37 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.3 -0.313 53.9-125.8 -68.5 152.3 27.7 -0.7 110.4 31 32 A E E -a 2 0A 120 -30,-2.4 -28,-2.9 2,-0.0 2,-0.5 -0.885 35.9-161.3 -90.5 128.0 26.8 -4.0 108.8 32 33 A V E -a 3 0A 40 -2,-0.5 2,-0.6 -30,-0.2 -28,-0.2 -0.945 20.3-170.8-118.3 117.9 26.9 -3.2 105.0 33 34 A D E -a 4 0A 58 -30,-3.0 -28,-2.9 -2,-0.5 2,-0.5 -0.937 16.2-168.7-107.7 120.5 25.3 -5.2 102.1 34 35 A S E +a 5 0A 59 -2,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.968 7.4 178.1-111.0 125.3 26.5 -3.8 98.8 35 36 A R E -a 6 0A 77 -30,-3.4 -28,-2.5 -2,-0.5 2,-0.3 -0.992 28.9-129.9-133.5 138.2 24.9 -4.8 95.5 36 37 A D E > -a 7 0A 48 -2,-0.4 3,-0.8 -30,-0.2 4,-0.4 -0.600 25.5-131.3 -68.2 132.1 25.3 -3.9 91.8 37 38 A A G > S+ 0 0 8 -30,-4.2 3,-1.6 -2,-0.3 -29,-0.1 0.794 98.3 78.2 -59.1 -39.8 22.0 -3.1 90.3 38 39 A A G 3 S+ 0 0 59 -31,-0.4 -1,-0.2 1,-0.3 -30,-0.1 0.915 108.6 26.4 -36.1 -36.8 22.7 -5.5 87.3 39 40 A S G < S+ 0 0 96 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.505 93.6 118.8-108.4 -2.5 21.9 -8.5 89.5 40 41 A V < - 0 0 31 -3,-1.6 2,-0.4 -4,-0.4 -34,-0.0 -0.315 52.3-142.9 -75.4 159.1 19.4 -7.1 92.1 41 42 A E - 0 0 169 1,-0.1 -2,-0.1 2,-0.1 32,-0.0 -0.989 11.0-147.0-117.6 121.4 15.9 -8.4 92.5 42 43 A A > + 0 0 16 -2,-0.4 3,-1.3 2,-0.1 2,-0.4 0.685 61.1 94.7 -67.1 -37.4 13.3 -5.7 93.3 43 44 A G T 3 S- 0 0 53 1,-0.3 37,-0.3 2,-0.1 38,-0.1 -0.550 112.2 -17.2 -71.9 130.7 10.5 -7.1 95.5 44 45 A G T > S+ 0 0 20 35,-2.7 3,-1.6 -2,-0.4 -1,-0.3 0.707 89.6 144.4 50.6 23.0 11.1 -6.6 99.3 45 46 A L T < S+ 0 0 12 -3,-1.3 36,-0.1 1,-0.2 -2,-0.1 0.723 71.0 49.5 -57.4 -26.3 14.8 -5.9 98.4 46 47 A F T > S+ 0 0 0 34,-1.6 3,-1.1 -4,-0.2 2,-0.3 0.198 82.4 121.9 -92.7 -5.5 14.9 -3.3 101.2 47 48 A E T < S+ 0 0 134 -3,-1.6 3,-0.1 33,-0.3 35,-0.0 -0.556 74.7 19.8 -72.5 128.6 13.3 -5.5 103.9 48 49 A G T 3 S+ 0 0 55 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.746 98.0 120.0 87.4 24.2 15.3 -5.9 107.1 49 50 A F < - 0 0 25 -3,-1.1 -1,-0.3 1,-0.1 -46,-0.2 -0.923 49.7-162.7-127.7 144.2 17.5 -2.9 106.4 50 51 A D S S+ 0 0 90 -48,-3.9 2,-0.3 -2,-0.3 36,-0.3 0.694 84.4 24.2 -95.2 -20.6 17.8 0.2 108.6 51 52 A L E -b 3 0A 0 -49,-1.3 -47,-2.3 34,-0.1 2,-0.5 -0.988 63.5-163.1-147.8 132.7 19.3 2.3 105.8 52 53 A V E -bc 4 87A 0 34,-1.8 36,-1.7 -2,-0.3 2,-0.5 -0.991 8.1-168.8-120.9 112.4 19.1 2.0 102.0 53 54 A L E -bc 5 88A 0 -49,-3.4 -47,-1.9 -2,-0.5 2,-0.5 -0.979 7.0-164.1-101.0 127.3 21.6 4.0 100.0 54 55 A L E -bc 6 89A 1 34,-2.6 36,-2.4 -2,-0.5 2,-0.4 -0.919 4.3-169.7-122.0 126.3 21.0 4.2 96.2 55 56 A G E +bc 7 90A 0 -49,-3.0 -47,-1.8 -2,-0.5 2,-0.3 -0.920 11.7 158.0-121.8 140.1 23.4 5.2 93.6 56 57 A C E -b 8 0A 0 34,-2.2 -47,-0.1 -2,-0.4 48,-0.1 -0.971 29.3-131.3-156.0 131.8 23.1 6.0 89.9 57 58 A S - 0 0 10 -49,-1.4 10,-1.2 -2,-0.3 2,-0.4 -0.332 26.0-125.3 -76.3 148.8 24.9 7.9 87.0 58 59 A T E +E 66 0B 24 34,-1.2 2,-0.2 8,-0.2 8,-0.2 -0.925 34.5 168.0 -95.7 131.2 23.2 10.3 84.7 59 60 A W E +E 65 0B 111 6,-2.3 6,-1.8 -2,-0.4 2,-0.1 -0.720 29.7 75.6-130.0 176.2 23.4 9.7 80.9 60 61 A G - 0 0 28 -2,-0.2 4,-0.1 4,-0.2 -2,-0.0 -0.376 60.9-125.1 102.1 163.0 21.5 11.2 77.9 61 62 A D S S+ 0 0 111 -2,-0.1 37,-0.6 36,-0.1 38,-0.3 0.680 97.7 2.0-115.3 -63.9 22.0 14.6 76.3 62 63 A D S S+ 0 0 129 36,-0.1 2,-0.3 35,-0.1 -2,-0.1 0.201 132.5 59.6-104.7 0.6 18.8 16.6 76.1 63 64 A S S S- 0 0 63 -4,-0.0 2,-0.7 36,-0.0 36,-0.2 -0.801 84.7-124.1-124.9 154.2 16.9 13.7 78.0 64 65 A I + 0 0 74 -2,-0.3 2,-0.4 -4,-0.1 -4,-0.2 -0.964 34.9 174.7 -98.3 115.1 17.7 12.3 81.5 65 66 A E E -E 59 0B 97 -6,-1.8 -6,-2.3 -2,-0.7 38,-0.2 -0.984 26.1-126.6-118.7 156.1 18.3 8.6 81.3 66 67 A L E -E 58 0B 20 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.1 -0.417 44.0 -76.6 -93.6 152.9 19.4 6.6 84.3 67 68 A Q >> - 0 0 0 -10,-1.2 4,-0.8 -59,-0.2 3,-0.6 -0.327 51.8-115.7 -49.7 138.3 22.4 4.3 84.2 68 69 A D T 34 S+ 0 0 115 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.804 109.9 50.3 -55.6 -47.3 21.4 1.2 82.3 69 70 A D T 34 S+ 0 0 56 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.796 109.7 56.8 -61.2 -35.9 21.8 -1.5 85.0 70 71 A F T X> S+ 0 0 0 -3,-0.6 4,-2.6 1,-0.2 3,-0.8 0.759 83.1 81.9 -69.0 -36.6 19.7 0.7 87.2 71 72 A I H 3X S+ 0 0 62 -4,-0.8 4,-2.7 -3,-0.5 5,-0.2 0.839 88.3 51.8 -33.7 -58.2 16.5 1.1 85.0 72 73 A P H 3> S+ 0 0 82 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.829 113.7 44.0 -58.6 -36.1 14.7 -2.1 85.9 73 74 A L H <4 S+ 0 0 11 -3,-0.8 -2,-0.2 -4,-0.4 4,-0.2 0.884 111.3 55.3 -71.0 -49.1 15.0 -1.5 89.7 74 75 A F H >< S+ 0 0 39 -4,-2.6 3,-1.0 1,-0.2 -3,-0.2 0.903 108.3 48.5 -51.8 -46.0 14.0 2.1 89.1 75 76 A D H 3< S+ 0 0 107 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.911 115.6 44.4 -60.8 -35.8 10.9 0.8 87.4 76 77 A S T >< S+ 0 0 33 -4,-1.3 3,-1.8 1,-0.2 -1,-0.2 0.115 72.6 119.6-102.2 30.5 10.1 -1.7 90.3 77 78 A L G X S+ 0 0 1 -3,-1.0 3,-0.6 1,-0.3 5,-0.5 0.645 70.8 61.3 -72.8 -17.2 10.8 0.7 93.3 78 79 A E G 3 S+ 0 0 148 -3,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.716 99.6 57.4 -81.0 -10.6 7.2 0.3 94.5 79 80 A E G < S+ 0 0 114 -3,-1.8 -35,-2.7 1,-0.2 -1,-0.2 0.527 93.0 76.4 -90.2 -8.2 7.9 -3.5 94.9 80 81 A T S < S- 0 0 0 -3,-0.6 -34,-1.6 -37,-0.3 -33,-0.3 0.807 100.4-114.7 -61.4 -60.4 10.9 -2.7 97.2 81 82 A G + 0 0 23 -4,-0.4 4,-0.1 -3,-0.2 -3,-0.1 0.664 56.6 152.2 110.1 59.6 9.4 -1.8 100.6 82 83 A A + 0 0 6 -5,-0.5 3,-0.4 2,-0.1 2,-0.3 0.304 27.8 122.6 -90.8 -1.3 10.4 1.9 100.7 83 84 A Q S S- 0 0 140 1,-0.2 33,-0.2 33,-0.1 32,-0.2 -0.476 92.6 -7.7 -64.3 120.1 7.5 3.0 102.9 84 85 A G S S+ 0 0 45 31,-2.5 -1,-0.2 -2,-0.3 32,-0.2 0.415 103.2 142.0 73.7 -13.8 8.8 4.6 106.1 85 86 A R - 0 0 55 -3,-0.4 32,-6.6 -4,-0.1 2,-0.5 -0.243 55.2-122.9 -62.9 140.2 12.4 3.5 105.1 86 87 A K E + d 0 117A 54 -36,-0.3 -34,-1.8 30,-0.2 2,-0.3 -0.793 46.5 162.7 -91.8 109.6 15.4 5.7 105.8 87 88 A V E -cd 52 118A 0 30,-1.9 32,-2.5 -2,-0.5 33,-0.6 -0.976 24.6-174.3-137.1 157.2 17.1 6.4 102.5 88 89 A A E -cd 53 120A 0 -36,-1.7 -34,-2.6 -2,-0.3 2,-0.4 -0.982 17.5-140.2-153.3 153.1 19.7 8.7 100.8 89 90 A C E +c 54 0A 1 31,-0.5 34,-1.9 -2,-0.3 2,-0.3 -0.893 17.5 175.6-126.6 152.9 20.8 8.9 97.2 90 91 A F E +cd 55 123A 1 -36,-2.4 -34,-2.2 -2,-0.4 2,-0.3 -0.920 6.3 150.6-145.8 162.0 24.1 9.5 95.4 91 92 A G E - d 0 124A 0 32,-2.1 34,-2.5 -2,-0.3 2,-0.2 -0.929 33.4-111.9 176.4 165.0 25.6 9.6 91.9 92 93 A C E + d 0 125A 5 -2,-0.3 -34,-1.2 32,-0.2 2,-0.3 -0.654 42.5 134.7-109.6 146.7 28.2 10.9 89.4 93 94 A G E - d 0 126A 20 32,-2.0 34,-2.2 34,-0.3 2,-0.3 -0.836 48.0 -98.6-155.7-150.0 27.6 13.2 86.5 94 95 A D > - 0 0 69 32,-0.3 3,-1.6 -2,-0.3 7,-0.2 -0.981 14.2-140.6-157.5 120.7 29.1 16.4 84.9 95 96 A S T 3 S+ 0 0 68 -2,-0.3 5,-0.2 1,-0.3 31,-0.0 0.645 93.9 79.4 -62.7 -18.3 27.9 20.0 85.3 96 97 A S T 3 S+ 0 0 101 3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.629 84.0 88.0 -62.1 -24.7 28.5 20.8 81.7 97 98 A Y S < S- 0 0 112 -3,-1.6 3,-0.5 1,-0.1 -35,-0.1 -0.400 86.1-121.3 -78.0 159.1 25.2 19.0 81.1 98 99 A E S S+ 0 0 117 -37,-0.6 2,-0.8 1,-0.3 -36,-0.1 0.935 108.1 34.2 -71.2 -44.8 21.8 20.4 81.1 99 100 A Y S > S- 0 0 102 -38,-0.3 3,-1.5 -36,-0.2 -1,-0.3 -0.810 86.5-152.9-109.6 84.0 20.4 18.1 83.8 100 101 A F T 3 S- 0 0 59 -2,-0.8 -5,-0.1 -3,-0.5 -7,-0.1 -0.463 77.2 -20.1 -51.2 133.8 23.4 17.6 86.1 101 102 A C T >> S+ 0 0 1 -2,-0.3 3,-1.4 -7,-0.2 4,-1.0 0.863 85.2 162.8 34.4 50.6 23.0 14.2 87.9 102 103 A G H <> + 0 0 3 -3,-1.5 4,-1.6 1,-0.3 -1,-0.1 0.700 64.9 70.5 -75.2 -14.4 19.2 14.4 87.1 103 104 A A H 3> S+ 0 0 0 -4,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.813 95.6 52.6 -71.2 -25.8 19.1 10.7 87.8 104 105 A V H <> S+ 0 0 0 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.901 105.7 53.0 -68.5 -55.7 19.6 11.6 91.5 105 106 A D H X S+ 0 0 81 -4,-1.0 4,-2.3 1,-0.2 -2,-0.2 0.849 111.2 49.9 -49.1 -43.7 16.7 14.1 91.4 106 107 A A H X S+ 0 0 31 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.872 107.9 46.5 -62.4 -62.3 14.5 11.3 90.0 107 108 A I H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.864 115.1 52.8 -51.9 -35.4 15.2 8.4 92.4 108 109 A E H X S+ 0 0 26 -4,-1.8 4,-3.5 2,-0.2 -2,-0.2 0.948 108.7 45.5 -63.9 -63.8 14.7 10.9 95.2 109 110 A E H X S+ 0 0 95 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.914 115.5 48.8 -50.3 -44.4 11.3 12.2 94.0 110 111 A K H X S+ 0 0 66 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.917 110.7 49.5 -64.9 -48.8 10.1 8.6 93.4 111 112 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 3,-0.5 0.937 109.4 54.4 -54.5 -53.4 11.3 7.5 96.9 112 113 A K H ><5S+ 0 0 110 -4,-3.5 3,-1.2 1,-0.2 -2,-0.2 0.834 107.7 46.5 -51.0 -45.8 9.5 10.4 98.4 113 114 A N H 3<5S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.748 107.7 57.9 -71.7 -26.2 6.1 9.6 96.8 114 115 A L T <<5S- 0 0 35 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.335 123.4-106.6 -76.4 -13.6 6.4 5.9 97.8 115 116 A G T < 5 + 0 0 25 -3,-1.2 -31,-2.5 1,-0.2 -3,-0.2 0.491 66.3 147.7 97.2 15.9 6.8 7.1 101.4 116 117 A A < - 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