==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 27-MAY-97 1AKW . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. . AUTHOR A.MCCARTHY,M.WALSH,T.HIGGINS . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 70.7 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 . 2 1.4 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 . 9 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 24.5 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 2 0 1 0 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 P 0 0 84 0, 0.0 30,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 153.1 22.1 26.3 1.5 2 3 A K E -a 31 0A 69 28,-0.2 48,-1.8 46,-0.1 49,-1.4 -0.950 360.0-166.9-111.7 133.2 19.6 24.1 3.5 3 4 A A E -ab 32 51A 0 28,-3.0 30,-2.5 -2,-0.4 2,-0.4 -0.919 8.6-155.2-120.5 142.0 16.7 25.6 5.4 4 5 A L E -ab 33 52A 0 47,-2.4 49,-2.6 -2,-0.4 2,-0.4 -0.972 8.4-168.7-113.4 131.1 14.4 24.0 8.0 5 6 A I E -ab 34 53A 0 28,-2.9 30,-3.6 -2,-0.4 2,-0.4 -0.993 6.2-179.7-119.9 120.5 10.8 25.4 8.5 6 7 A V E +ab 35 54A 0 47,-2.0 49,-2.5 -2,-0.4 2,-0.3 -0.987 8.4 178.6-120.5 127.5 8.8 24.2 11.6 7 8 A Y E -ab 36 55A 20 28,-1.8 30,-3.4 -2,-0.4 2,-0.5 -0.951 25.6-153.4-133.1 152.1 5.3 25.5 12.2 8 9 A G E + b 0 56A 0 47,-1.9 49,-0.9 -2,-0.3 2,-0.3 -0.993 30.3 166.5-117.0 119.6 2.4 25.0 14.7 9 10 A S + 0 0 18 -2,-0.5 -2,-0.0 47,-0.2 47,-0.0 -0.999 23.5 178.0-141.9 135.1 -1.0 25.9 13.1 10 11 A T S S+ 0 0 85 -2,-0.3 -1,-0.1 58,-0.0 0, 0.0 0.800 90.7 23.7-103.1 -42.5 -4.6 25.2 14.2 11 12 A T S S- 0 0 98 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.350 113.3-102.7-106.5 3.8 -6.8 26.8 11.6 12 13 A G S > S+ 0 0 13 4,-0.0 4,-2.1 3,-0.0 5,-0.2 0.436 89.5 111.8 94.7 -0.6 -4.1 26.7 8.7 13 14 A N H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.940 83.2 40.3 -71.6 -47.7 -3.0 30.4 8.7 14 15 A T H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.818 114.6 55.6 -69.5 -30.6 0.6 29.9 9.9 15 16 A E H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.947 108.0 47.2 -66.2 -44.2 0.8 26.7 7.8 16 17 A Y H X S+ 0 0 51 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.926 112.8 51.0 -60.6 -43.4 -0.2 28.8 4.7 17 18 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.944 109.2 49.7 -60.0 -47.4 2.5 31.4 5.8 18 19 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.917 110.8 49.8 -57.7 -46.7 5.2 28.6 6.2 19 20 A E H X S+ 0 0 105 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.857 109.3 51.6 -63.7 -34.1 4.4 27.2 2.6 20 21 A T H X S+ 0 0 17 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.909 112.3 45.5 -68.5 -42.4 4.6 30.7 1.1 21 22 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.930 109.3 56.4 -66.6 -44.4 8.1 31.3 2.7 22 23 A A H X S+ 0 0 16 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.891 107.6 49.0 -55.4 -44.7 9.2 27.8 1.7 23 24 A R H X S+ 0 0 175 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.914 108.8 51.3 -62.8 -46.6 8.4 28.7 -2.0 24 25 A E H < S+ 0 0 30 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.901 113.1 46.3 -58.9 -41.1 10.3 32.0 -1.9 25 26 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-0.9 0.926 112.8 49.2 -66.7 -44.7 13.4 30.2 -0.5 26 27 A A H ><5S+ 0 0 48 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.832 107.3 54.4 -62.1 -36.2 13.2 27.3 -3.0 27 28 A D T 3<5S+ 0 0 122 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.586 106.7 53.4 -76.1 -11.6 12.9 29.7 -6.0 28 29 A A T < 5S- 0 0 45 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.330 130.1 -94.7-104.4 3.4 16.1 31.4 -4.8 29 30 A G T < 5S+ 0 0 59 -3,-1.1 -3,-0.2 1,-0.3 2,-0.2 0.509 76.7 134.8 97.5 6.2 18.0 28.1 -4.8 30 31 A Y < - 0 0 24 -5,-2.1 2,-0.6 -28,-0.0 -1,-0.3 -0.572 55.8-124.7 -86.0 154.0 17.8 26.7 -1.2 31 32 A E E -a 2 0A 137 -30,-2.5 -28,-3.0 -2,-0.2 2,-0.4 -0.849 38.4-163.0 -94.7 125.9 17.0 23.1 -0.3 32 33 A V E -a 3 0A 42 -2,-0.6 2,-0.5 -30,-0.2 -28,-0.2 -0.961 20.3-167.4-118.2 133.4 14.0 23.5 2.1 33 34 A D E -a 4 0A 63 -30,-2.5 -28,-2.9 -2,-0.4 2,-0.5 -0.975 13.6-167.7-119.1 114.7 12.5 21.0 4.5 34 35 A S E +a 5 0A 50 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.912 11.0 176.7-109.7 122.5 9.1 22.1 5.9 35 36 A R E -a 6 0A 78 -30,-3.6 -28,-1.8 -2,-0.5 2,-0.3 -0.988 32.9-124.1-135.2 142.4 7.6 20.3 8.9 36 37 A D E > -a 7 0A 48 -2,-0.4 3,-1.8 -30,-0.2 4,-0.2 -0.566 28.4-130.5 -71.8 134.8 4.5 20.5 11.1 37 38 A A G > S+ 0 0 7 -30,-3.4 3,-1.3 -2,-0.3 -29,-0.1 0.795 102.9 71.6 -59.1 -27.4 5.7 20.8 14.7 38 39 A A G 3 S+ 0 0 64 -31,-0.4 -1,-0.3 1,-0.2 -30,-0.1 0.734 102.1 43.3 -62.3 -19.2 3.3 17.9 15.7 39 40 A S G < S+ 0 0 92 -3,-1.8 2,-0.3 2,-0.0 -1,-0.2 0.319 96.1 92.0-110.7 7.8 5.5 15.4 13.8 40 41 A V < - 0 0 23 -3,-1.3 2,-0.4 -4,-0.2 5,-0.0 -0.716 60.3-140.3-108.7 160.3 9.1 16.4 14.9 41 42 A E - 0 0 162 -2,-0.3 32,-0.0 2,-0.1 -2,-0.0 -0.956 14.5-141.6-110.4 128.3 11.4 15.4 17.7 42 43 A A > + 0 0 11 -2,-0.4 3,-2.2 2,-0.1 4,-0.3 0.827 68.3 105.6 -63.9 -39.1 13.4 18.1 19.4 43 44 A G T 3 S- 0 0 47 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.249 107.7 -20.8 -51.3 109.4 16.7 16.2 19.9 44 45 A G T > S+ 0 0 34 35,-2.8 3,-1.5 -2,-0.2 -1,-0.3 0.706 89.9 149.2 62.9 23.0 19.3 17.5 17.4 45 46 A L T < S+ 0 0 15 -3,-2.2 36,-0.1 1,-0.3 -2,-0.1 0.862 70.5 43.4 -55.0 -40.8 16.4 18.8 15.2 46 47 A F T > S+ 0 0 0 34,-2.1 3,-1.9 -4,-0.3 -1,-0.3 0.486 81.1 129.4 -87.3 -3.9 18.5 21.7 13.8 47 48 A E T < S+ 0 0 130 -3,-1.5 3,-0.1 33,-0.3 34,-0.1 -0.266 77.4 11.8 -55.5 130.8 21.7 19.7 13.1 48 49 A G T 3 S+ 0 0 51 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.438 96.0 121.9 85.4 0.4 23.0 20.2 9.6 49 50 A F < - 0 0 13 -3,-1.9 -1,-0.2 1,-0.1 -46,-0.2 -0.795 48.2-159.6-100.8 137.5 20.8 23.2 8.6 50 51 A D S S+ 0 0 85 -48,-1.8 36,-0.5 -2,-0.4 2,-0.3 0.794 83.3 21.0 -80.0 -29.0 22.2 26.6 7.6 51 52 A L E -b 3 0A 0 -49,-1.4 -47,-2.4 34,-0.1 2,-0.4 -0.999 64.8-165.2-142.8 135.7 19.0 28.5 8.4 52 53 A V E -bc 4 87A 0 34,-1.9 36,-1.5 -2,-0.3 2,-0.5 -0.986 3.2-168.3-124.4 128.6 16.0 27.6 10.7 53 54 A L E -bc 5 88A 0 -49,-2.6 -47,-2.0 -2,-0.4 2,-0.5 -0.973 7.4-164.6-117.1 124.8 12.7 29.5 10.5 54 55 A L E +bc 6 89A 0 34,-2.0 36,-1.9 -2,-0.5 2,-0.4 -0.955 9.3 179.9-117.5 131.3 10.2 28.9 13.4 55 56 A G E +bc 7 90A 0 -49,-2.5 -47,-1.9 -2,-0.5 2,-0.3 -0.971 8.3 153.2-135.9 147.9 6.5 29.8 13.3 56 57 A C E -b 8 0A 0 34,-1.7 -47,-0.2 -2,-0.4 48,-0.1 -0.982 33.3-117.0-165.3 150.9 3.4 29.6 15.5 57 58 A S - 0 0 12 -49,-0.9 10,-1.1 -2,-0.3 2,-0.4 -0.392 30.7-121.3 -88.1 165.0 0.0 31.2 16.2 58 59 A T B -F 66 0B 26 34,-1.1 2,-0.4 8,-0.2 8,-0.2 -0.895 24.6-178.2-111.9 134.9 -1.0 32.9 19.5 59 60 A W - 0 0 112 6,-2.9 5,-0.0 -2,-0.4 34,-0.0 -0.964 33.2-113.9-130.9 114.4 -3.9 31.7 21.7 60 61 A L + 0 0 121 -2,-0.4 2,-0.3 2,-0.0 4,-0.1 -0.170 51.7 145.8 -56.9 136.8 -4.8 33.6 25.0 61 62 A D - 0 0 93 2,-0.1 4,-0.1 1,-0.0 -2,-0.0 -0.953 54.9-118.0-159.2 165.1 -4.2 31.6 28.1 62 63 A D S S+ 0 0 169 -2,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.658 109.6 21.4 -86.6 -21.8 -3.1 32.1 31.8 63 64 A S S S+ 0 0 106 1,-0.2 2,-0.4 -3,-0.0 -2,-0.1 0.743 131.5 8.6-110.3 -63.3 -0.0 29.9 31.6 64 65 A I - 0 0 56 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.965 46.6-171.3-134.8 119.9 1.1 29.4 27.9 65 66 A E + 0 0 47 -2,-0.4 -6,-2.9 -4,-0.1 38,-0.2 0.379 51.7 113.5 -86.4 0.2 -0.1 31.2 24.8 66 67 A L B S-F 58 0B 9 -8,-0.2 -8,-0.2 1,-0.1 5,-0.1 -0.428 80.9 -92.6 -72.9 151.9 1.7 29.1 22.2 67 68 A Q >> - 0 0 4 -10,-1.1 3,-1.3 -59,-0.1 4,-0.9 -0.378 42.6-115.5 -61.8 136.8 -0.3 26.9 19.8 68 69 A D T 34 S+ 0 0 125 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.763 109.8 55.0 -49.8 -42.0 -0.5 23.4 21.3 69 70 A D T 34 S+ 0 0 64 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.766 108.7 50.9 -67.9 -25.0 1.5 21.4 18.7 70 71 A F T <> S+ 0 0 0 -3,-1.3 4,-2.4 1,-0.2 3,-0.5 0.727 88.2 83.3 -85.9 -19.5 4.5 23.8 19.2 71 72 A I H X S+ 0 0 30 -4,-0.9 4,-2.7 -3,-0.4 5,-0.2 0.881 87.7 50.8 -51.3 -51.6 4.6 23.5 23.1 72 73 A P H > S+ 0 0 84 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.865 113.7 46.3 -58.3 -37.5 6.6 20.3 23.3 73 74 A L H >4 S+ 0 0 8 -3,-0.5 3,-1.2 -4,-0.4 -2,-0.2 0.945 112.4 49.6 -68.9 -48.9 9.3 21.7 20.9 74 75 A F H >< S+ 0 0 31 -4,-2.4 3,-1.4 1,-0.3 4,-0.2 0.911 107.9 54.4 -55.8 -45.0 9.4 25.1 22.8 75 76 A D H 3< S+ 0 0 93 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.706 116.7 37.3 -66.7 -18.8 9.8 23.3 26.1 76 77 A S T X< S+ 0 0 35 -3,-1.2 3,-2.2 -4,-0.6 -1,-0.3 0.012 74.4 125.2-119.6 25.7 12.9 21.4 24.7 77 78 A L G X + 0 0 0 -3,-1.4 3,-1.4 1,-0.3 5,-0.4 0.770 65.1 69.4 -58.5 -26.1 14.4 24.1 22.6 78 79 A E G 3 S+ 0 0 109 1,-0.2 -1,-0.3 -4,-0.2 3,-0.2 0.620 97.0 51.4 -69.6 -10.0 17.7 23.6 24.5 79 80 A E G < S+ 0 0 112 -3,-2.2 -35,-2.8 1,-0.1 -1,-0.2 0.336 88.3 83.2-104.3 4.1 18.2 20.2 22.8 80 81 A T S < S- 0 0 0 -3,-1.4 -34,-2.1 -37,-0.2 -33,-0.3 0.692 103.8-105.8 -83.8 -21.4 17.8 21.3 19.2 81 82 A G + 0 0 24 -4,-0.3 -3,-0.1 -3,-0.2 -2,-0.1 0.763 66.2 148.1 97.9 36.4 21.3 22.7 18.4 82 83 A A > + 0 0 5 -5,-0.4 3,-2.3 2,-0.1 35,-0.3 0.680 27.8 112.4 -78.9 -19.2 20.4 26.4 18.5 83 84 A Q T 3 S- 0 0 169 1,-0.3 33,-0.2 33,-0.1 32,-0.2 -0.390 98.5 -3.9 -62.4 128.4 23.7 27.8 19.8 84 85 A G T 3 S+ 0 0 61 31,-2.8 2,-0.3 1,-0.2 -1,-0.3 0.572 100.4 140.0 66.7 12.5 25.2 29.8 17.0 85 86 A R < - 0 0 44 -3,-2.3 32,-3.1 30,-0.1 2,-0.5 -0.680 57.1-121.8 -87.8 141.8 22.4 28.9 14.6 86 87 A K E + d 0 117A 66 -36,-0.5 -34,-1.9 -2,-0.3 2,-0.3 -0.759 48.5 162.9 -81.3 119.5 21.0 31.5 12.2 87 88 A V E -cd 52 118A 0 30,-2.4 32,-2.3 -2,-0.5 33,-0.5 -0.933 25.0-175.3-138.8 160.3 17.2 31.7 12.9 88 89 A A E -c 53 0A 0 -36,-1.5 -34,-2.0 -2,-0.3 2,-0.3 -0.969 16.9-141.6-151.8 150.2 14.1 33.9 12.4 89 90 A C E +c 54 0A 0 31,-0.4 34,-1.9 -2,-0.3 2,-0.3 -0.811 16.9 174.9-119.3 158.1 10.5 33.6 13.6 90 91 A F E +ce 55 123A 1 -36,-1.9 -34,-1.7 -2,-0.3 2,-0.3 -0.942 5.6 163.4-150.2 165.8 7.1 34.3 12.2 91 92 A G E - e 0 124A 0 32,-1.5 34,-2.3 -2,-0.3 2,-0.3 -0.952 30.0-117.9-179.1 159.4 3.4 33.8 13.3 92 93 A C E + e 0 125A 7 -2,-0.3 -34,-1.1 32,-0.2 2,-0.2 -0.825 42.8 136.4-108.6 150.9 -0.2 34.8 12.7 93 94 A G E - e 0 126A 21 32,-2.2 34,-1.8 -2,-0.3 2,-0.4 -0.858 46.1 -96.1-164.5-158.5 -2.5 36.5 15.3 94 95 A D > - 0 0 72 -2,-0.2 3,-1.6 32,-0.2 7,-0.2 -0.971 13.5-143.8-147.6 124.1 -5.0 39.3 15.7 95 96 A S T 3 S+ 0 0 73 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 0.451 93.7 76.8 -70.3 -0.3 -4.4 42.9 16.8 96 97 A S T 3 S+ 0 0 98 3,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.587 86.0 80.9 -81.5 -10.0 -7.8 43.0 18.8 97 98 A Y S < S- 0 0 120 -3,-1.6 3,-0.3 1,-0.1 -4,-0.0 -0.678 86.5-124.6 -94.6 151.2 -6.0 40.9 21.5 98 99 A E S S+ 0 0 165 1,-0.3 2,-1.4 -2,-0.2 -1,-0.1 0.937 106.5 48.0 -61.1 -51.9 -3.7 42.3 24.1 99 100 A Y S > S- 0 0 128 -3,-0.0 3,-1.5 2,-0.0 2,-0.5 -0.701 83.5-162.6 -92.0 82.1 -0.7 40.1 23.2 100 101 A F T 3 S- 0 0 64 -2,-1.4 -5,-0.1 -3,-0.3 -7,-0.1 -0.526 77.1 -17.0 -68.9 116.1 -0.7 40.5 19.5 101 102 A C T >> S+ 0 0 1 -2,-0.5 3,-1.3 -7,-0.2 4,-0.9 0.858 86.9 163.0 54.3 38.6 1.4 37.7 18.0 102 103 A G H <> + 0 0 15 -3,-1.5 4,-1.9 1,-0.3 5,-0.2 0.782 63.4 67.2 -59.0 -28.4 2.8 37.1 21.5 103 104 A A H 3> S+ 0 0 0 -4,-0.2 4,-2.1 -38,-0.2 -1,-0.3 0.876 95.6 57.3 -62.6 -32.5 4.1 33.6 20.6 104 105 A V H <> S+ 0 0 0 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.938 107.4 47.3 -63.4 -45.6 6.6 35.3 18.2 105 106 A D H X S+ 0 0 81 -4,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.897 110.8 51.5 -61.8 -41.8 8.1 37.3 21.1 106 107 A A H X S+ 0 0 33 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.894 112.1 45.7 -62.8 -43.7 8.3 34.2 23.4 107 108 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.927 112.7 49.7 -69.0 -44.3 10.2 32.2 20.8 108 109 A E H X S+ 0 0 10 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.933 111.1 50.3 -61.0 -44.7 12.6 35.0 19.9 109 110 A E H X S+ 0 0 115 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.909 112.2 45.1 -61.9 -46.7 13.4 35.6 23.6 110 111 A K H X S+ 0 0 49 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.912 112.2 51.3 -66.7 -40.5 14.1 31.9 24.4 111 112 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-0.2 0.895 110.4 50.6 -59.6 -40.7 16.3 31.4 21.2 112 113 A K H ><5S+ 0 0 118 -4,-2.2 3,-1.4 -5,-0.2 -1,-0.2 0.921 108.1 52.0 -62.7 -44.9 18.3 34.5 22.3 113 114 A N H 3<5S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.700 109.2 51.6 -64.5 -23.0 18.8 33.0 25.8 114 115 A L T 3<5S- 0 0 55 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.354 123.4-102.5 -94.3 1.0 20.1 29.8 24.2 115 116 A G T < 5 + 0 0 43 -3,-1.4 -31,-2.8 1,-0.2 -3,-0.2 0.674 67.3 149.7 87.3 18.0 22.7 31.6 22.0 116 117 A A < - 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