==== 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 1AKU . 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) . 7071.0 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 . 12 8.2 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 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 P 0 0 79 0, 0.0 30,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 158.2 3.3 26.1 -6.4 2 3 A K E -a 31 0A 98 28,-0.2 48,-2.6 30,-0.1 49,-1.6 -0.964 360.0-174.0-113.6 117.8 3.7 24.0 -3.1 3 4 A A E -ab 32 51A 1 28,-3.0 30,-2.5 -2,-0.5 2,-0.4 -0.818 13.9-156.2-113.7 147.0 3.4 25.9 0.1 4 5 A L E -ab 33 52A 0 47,-2.2 49,-2.7 -2,-0.3 2,-0.4 -0.985 7.6-166.4-116.6 134.0 3.9 24.7 3.7 5 6 A I E -ab 34 53A 0 28,-2.5 30,-3.1 -2,-0.4 2,-0.4 -0.994 6.2-177.2-118.9 120.4 2.1 26.7 6.6 6 7 A V E -ab 35 54A 0 47,-2.7 49,-3.0 -2,-0.4 2,-0.3 -0.998 9.4-173.1-120.8 124.6 3.4 25.9 10.2 7 8 A Y E -ab 36 55A 23 28,-1.9 30,-3.5 -2,-0.4 2,-0.5 -0.941 22.9-156.9-123.5 148.2 1.5 27.6 13.0 8 9 A G E + b 0 56A 0 47,-1.5 49,-1.1 -2,-0.3 2,-0.4 -0.991 30.5 166.0-113.8 114.5 2.0 27.9 16.9 9 10 A S + 0 0 14 -2,-0.5 -2,-0.1 47,-0.1 82,-0.0 -0.989 23.9 175.9-139.4 125.5 -1.4 28.8 18.5 10 11 A T S S+ 0 0 79 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 0.876 92.4 20.7 -94.1 -50.3 -2.5 28.6 22.2 11 12 A T S S- 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.348 113.0-106.3 -98.4 1.3 -6.1 30.0 22.0 12 13 A G S > S+ 0 0 15 4,-0.0 4,-1.8 3,-0.0 5,-0.1 0.484 88.1 114.2 87.8 6.6 -6.6 29.3 18.3 13 14 A N H > S+ 0 0 43 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.958 84.3 42.3 -75.0 -47.6 -6.4 32.8 16.8 14 15 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.833 114.7 52.8 -68.9 -29.4 -3.1 32.1 14.9 15 16 A E H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 108.3 49.1 -70.7 -38.7 -4.6 28.7 13.9 16 17 A Y H X S+ 0 0 37 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.886 112.1 50.1 -65.1 -40.0 -7.7 30.5 12.6 17 18 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.921 109.4 51.2 -63.4 -42.8 -5.3 32.9 10.6 18 19 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.923 109.9 49.2 -61.1 -44.0 -3.4 29.9 9.2 19 20 A E H X S+ 0 0 102 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.832 110.7 49.7 -66.8 -34.0 -6.7 28.3 8.0 20 21 A T H X S+ 0 0 3 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.913 113.6 46.0 -68.2 -46.3 -7.9 31.5 6.3 21 22 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.910 110.4 54.9 -62.8 -43.7 -4.5 31.8 4.5 22 23 A A H X S+ 0 0 17 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.907 109.2 46.9 -59.4 -43.5 -4.6 28.1 3.6 23 24 A R H X S+ 0 0 161 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.888 109.7 52.4 -65.7 -42.4 -8.0 28.5 1.8 24 25 A E H X S+ 0 0 41 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.943 113.9 44.4 -57.7 -48.3 -7.0 31.7 -0.1 25 26 A L H <>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 3,-0.3 0.894 114.7 47.8 -64.4 -42.8 -3.9 29.8 -1.4 26 27 A A H ><5S+ 0 0 52 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.829 107.0 57.2 -69.0 -34.7 -5.9 26.6 -2.3 27 28 A D H 3<5S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.757 105.2 52.1 -67.1 -27.2 -8.6 28.7 -4.0 28 29 A A T 3<5S- 0 0 50 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.424 127.3 -98.3 -89.7 1.8 -6.0 30.1 -6.3 29 30 A G T < 5S+ 0 0 61 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.401 74.1 142.4 97.5 0.3 -4.7 26.6 -7.3 30 31 A Y < - 0 0 27 -5,-2.3 2,-0.5 1,-0.1 -1,-0.3 -0.325 55.8-119.8 -70.9 158.7 -1.6 26.3 -4.9 31 32 A E E -a 2 0A 124 -30,-3.0 -28,-3.0 2,-0.0 2,-0.5 -0.847 39.0-160.8 -92.8 122.3 -0.8 22.9 -3.4 32 33 A V E -a 3 0A 45 -2,-0.5 2,-0.6 -30,-0.2 -28,-0.2 -0.942 23.1-175.4-124.0 122.6 -1.1 23.5 0.5 33 34 A D E -a 4 0A 59 -30,-2.5 -28,-2.5 -2,-0.5 2,-0.5 -0.936 14.2-171.0-112.7 107.7 0.3 21.6 3.4 34 35 A S E +a 5 0A 51 -2,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.897 8.5 177.9-109.0 120.8 -0.8 23.1 6.8 35 36 A R E -a 6 0A 78 -30,-3.1 -28,-1.9 -2,-0.5 2,-0.3 -0.973 31.7-124.5-130.1 136.9 0.8 21.8 10.1 36 37 A D E > -a 7 0A 47 -2,-0.4 3,-2.0 -30,-0.2 4,-0.3 -0.639 27.9-128.5 -71.4 133.9 0.5 22.6 13.8 37 38 A A G > S+ 0 0 6 -30,-3.5 3,-0.8 -2,-0.3 -29,-0.2 0.743 106.7 68.9 -55.9 -22.7 4.1 23.4 15.1 38 39 A A G 3 S+ 0 0 64 -31,-0.4 -1,-0.3 1,-0.2 -30,-0.1 0.792 102.2 43.0 -67.6 -27.6 3.3 20.9 17.9 39 40 A S G < S+ 0 0 90 -3,-2.0 2,-0.2 2,-0.0 -1,-0.2 0.322 97.7 102.4 -98.4 1.0 3.4 18.0 15.3 40 41 A V < - 0 0 17 -3,-0.8 2,-0.5 -4,-0.3 33,-0.0 -0.630 55.0-151.4 -99.3 147.9 6.5 19.1 13.3 41 42 A E - 0 0 163 -2,-0.2 -2,-0.0 1,-0.1 32,-0.0 -0.964 13.6-146.6-112.3 129.5 10.1 18.0 13.2 42 43 A A > + 0 0 12 -2,-0.5 3,-2.8 2,-0.1 4,-0.3 0.879 64.1 112.8 -65.1 -39.3 12.6 20.8 12.2 43 44 A G T 3 S- 0 0 51 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.124 106.6 -27.8 -42.8 104.0 15.0 18.4 10.4 44 45 A G T > S+ 0 0 20 35,-3.0 3,-2.0 1,-0.1 -1,-0.3 0.687 91.5 152.6 57.6 24.7 14.8 19.4 6.7 45 46 A L T < + 0 0 12 -3,-2.8 36,-0.1 1,-0.3 -2,-0.1 0.803 66.6 47.9 -52.9 -38.4 11.1 20.6 7.2 46 47 A F T > S+ 0 0 0 34,-2.2 3,-1.9 -4,-0.3 -1,-0.3 0.401 81.8 128.2 -85.4 -1.2 11.1 23.1 4.4 47 48 A E T < S+ 0 0 128 -3,-2.0 3,-0.1 33,-0.3 34,-0.0 -0.320 74.5 15.2 -64.1 133.2 12.5 20.7 1.8 48 49 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.513 97.6 122.3 83.0 8.9 10.5 20.5 -1.3 49 50 A F < - 0 0 24 -3,-1.9 -1,-0.2 1,-0.1 37,-0.2 -0.859 47.8-162.7-107.0 139.0 8.5 23.7 -0.7 50 51 A D S S+ 0 0 83 -48,-2.6 36,-0.5 -2,-0.4 2,-0.3 0.775 86.5 18.0 -81.2 -30.1 8.2 26.7 -3.0 51 52 A L E -b 3 0A 0 -49,-1.6 -47,-2.2 34,-0.1 2,-0.4 -0.998 65.4-164.4-142.8 140.2 6.9 28.9 -0.2 52 53 A V E -bc 4 87A 0 34,-1.8 36,-1.6 -2,-0.3 2,-0.5 -0.996 6.0-166.1-128.9 123.9 6.9 28.4 3.6 53 54 A L E -bc 5 88A 1 -49,-2.7 -47,-2.7 -2,-0.4 2,-0.5 -0.957 6.1-161.1-115.1 123.3 4.6 30.6 5.8 54 55 A L E -bc 6 89A 0 34,-1.9 36,-2.3 -2,-0.5 2,-0.4 -0.935 4.2-167.0-113.2 123.8 5.3 30.6 9.6 55 56 A G E +bc 7 90A 0 -49,-3.0 -47,-1.5 -2,-0.5 2,-0.3 -0.925 14.7 159.5-113.9 134.4 2.6 31.6 12.1 56 57 A C E -b 8 0A 0 34,-1.9 48,-0.2 -2,-0.4 -47,-0.1 -0.941 28.0-140.2-158.8 129.7 3.2 32.5 15.8 57 58 A S - 0 0 11 -49,-1.1 10,-1.2 -2,-0.3 2,-0.3 -0.482 28.2-118.3 -83.3 158.2 1.5 34.4 18.6 58 59 A T E +F 66 0B 31 34,-1.1 2,-0.2 8,-0.2 8,-0.2 -0.799 34.6 171.2-107.1 136.1 3.4 36.6 21.2 59 60 A W E +F 65 0B 104 6,-2.3 6,-1.7 -2,-0.3 4,-0.3 -0.730 28.7 75.6-131.1 178.9 3.5 35.9 25.0 60 61 A G S S- 0 0 35 -2,-0.2 2,-1.0 4,-0.2 4,-0.1 -0.132 84.8 -78.3 94.1 163.1 5.4 37.2 28.0 61 62 A D S S- 0 0 142 2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.699 98.4 -47.1-108.1 85.8 5.0 40.4 29.9 62 63 A D S S+ 0 0 88 -2,-1.0 2,-0.2 1,-0.1 -1,-0.2 0.976 125.4 96.8 44.7 56.2 6.9 42.8 27.6 63 64 A S S S- 0 0 73 -4,-0.3 -2,-0.3 36,-0.1 -1,-0.1 -0.583 89.2-118.7-169.3 90.7 9.7 40.3 27.4 64 65 A I + 0 0 65 -2,-0.2 2,-0.4 -4,-0.1 -4,-0.2 -0.157 38.3 176.8 -51.0 129.1 8.9 38.5 24.1 65 66 A E E -F 59 0B 106 -6,-1.7 -6,-2.3 -5,-0.1 38,-0.1 -0.997 26.1-126.4-129.7 135.0 8.2 34.8 24.6 66 67 A L E -F 58 0B 22 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.1 -0.511 42.1 -80.5 -80.7 153.5 7.1 32.7 21.5 67 68 A Q >> - 0 0 1 -10,-1.2 4,-1.2 -59,-0.2 3,-1.2 -0.270 50.4-112.6 -52.0 136.0 4.0 30.5 21.6 68 69 A D T 34 S+ 0 0 114 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.808 112.0 46.3 -42.7 -50.6 4.8 27.3 23.4 69 70 A D T 34 S+ 0 0 52 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.759 110.0 55.9 -70.0 -27.1 4.5 24.8 20.6 70 71 A F T <> S+ 0 0 0 -3,-1.2 4,-2.7 1,-0.2 5,-0.3 0.703 85.8 82.4 -79.5 -23.1 6.6 27.0 18.3 71 72 A I H X S+ 0 0 63 -4,-1.2 4,-2.8 -3,-0.3 5,-0.2 0.916 88.7 50.0 -48.1 -54.4 9.6 27.3 20.6 72 73 A P H > S+ 0 0 80 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.904 113.1 47.0 -53.1 -45.1 11.3 23.9 19.6 73 74 A L H >4 S+ 0 0 7 -4,-0.4 3,-0.6 -3,-0.3 -2,-0.2 0.946 111.7 49.9 -64.3 -46.9 11.0 24.7 15.8 74 75 A F H >< S+ 0 0 45 -4,-2.7 3,-1.4 1,-0.2 4,-0.2 0.920 109.2 54.3 -56.9 -43.1 12.4 28.3 16.3 75 76 A D H 3< S+ 0 0 97 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.803 117.0 35.2 -62.2 -30.4 15.3 26.7 18.3 76 77 A S T X< S+ 0 0 33 -4,-1.3 3,-2.2 -3,-0.6 -1,-0.3 -0.002 77.0 122.5-111.2 28.0 16.2 24.3 15.5 77 78 A L G X + 0 0 1 -3,-1.4 3,-1.2 1,-0.3 5,-0.4 0.751 65.5 69.9 -60.2 -25.3 15.4 26.7 12.5 78 79 A E G 3 S+ 0 0 109 1,-0.2 -1,-0.3 -4,-0.2 3,-0.2 0.617 98.0 51.9 -67.7 -12.7 19.0 26.2 11.3 79 80 A E G < S+ 0 0 107 -3,-2.2 -35,-3.0 1,-0.1 -1,-0.2 0.423 88.0 82.0-102.6 -3.4 18.1 22.6 10.4 80 81 A T S < S- 0 0 0 -3,-1.2 -34,-2.2 -4,-0.3 -33,-0.3 0.667 101.4-111.6 -78.1 -18.8 14.9 23.3 8.3 81 82 A G + 0 0 25 -4,-0.3 -3,-0.1 -3,-0.2 -2,-0.1 0.895 62.6 150.7 85.6 48.5 16.6 24.2 5.0 82 83 A A > + 0 0 5 -5,-0.4 3,-2.0 2,-0.1 35,-0.2 0.611 30.0 114.4 -86.5 -19.0 15.7 28.0 5.1 83 84 A Q T 3 S- 0 0 154 1,-0.3 33,-0.3 33,-0.1 32,-0.2 -0.409 95.9 -1.8 -56.6 123.6 18.7 29.1 3.1 84 85 A G T 3 S+ 0 0 57 31,-3.5 2,-0.3 1,-0.2 -1,-0.3 0.485 102.3 138.0 74.0 1.5 17.4 30.5 -0.3 85 86 A R < - 0 0 50 -3,-2.0 32,-4.3 30,-0.0 2,-0.6 -0.637 58.2-123.0 -85.1 137.3 13.8 29.6 0.7 86 87 A K E + d 0 117A 72 -36,-0.5 -34,-1.8 -2,-0.3 2,-0.3 -0.758 46.7 164.4 -83.8 122.6 11.0 32.0 -0.0 87 88 A V E -cd 52 118A 0 30,-2.4 32,-2.3 -2,-0.6 33,-0.6 -0.922 24.0-177.1-136.5 159.4 9.3 32.7 3.3 88 89 A A E -c 53 0A 0 -36,-1.6 -34,-1.9 -2,-0.3 2,-0.3 -0.982 18.3-140.8-153.6 150.3 6.8 35.1 5.0 89 90 A C E +c 54 0A 0 31,-0.5 34,-2.1 -2,-0.3 2,-0.3 -0.840 18.0 173.2-120.2 161.0 5.6 35.3 8.6 90 91 A F E +ce 55 123A 1 -36,-2.3 -34,-1.9 -2,-0.3 2,-0.3 -0.952 7.2 149.8-151.8 167.3 2.3 36.1 10.4 91 92 A G E - e 0 124A 0 32,-1.4 34,-2.8 -2,-0.3 2,-0.3 -0.949 36.7-101.6 172.4 170.0 0.8 36.0 13.9 92 93 A C E + e 0 125A 7 -2,-0.3 -34,-1.1 32,-0.2 2,-0.2 -0.819 45.6 136.1-112.5 147.7 -1.7 37.5 16.4 93 94 A G E - e 0 126A 22 32,-2.3 34,-1.6 -2,-0.3 2,-0.4 -0.794 51.9 -82.2-161.6-158.8 -0.9 39.9 19.2 94 95 A A > - 0 0 24 -2,-0.2 3,-1.7 32,-0.2 32,-0.1 -0.966 19.6-151.8-136.6 113.1 -2.2 43.1 20.9 95 96 A S T 3 S+ 0 0 68 -2,-0.4 5,-0.2 1,-0.3 -1,-0.1 0.720 94.9 66.0 -57.1 -21.5 -1.4 46.5 19.4 96 97 A S T 3 S+ 0 0 104 3,-0.1 -1,-0.3 -3,-0.0 4,-0.0 0.733 87.5 91.8 -69.7 -31.1 -1.6 48.0 23.0 97 98 A Y S X S- 0 0 145 -3,-1.7 3,-0.6 2,-0.1 -36,-0.0 -0.173 85.6-115.6 -73.2 161.4 1.6 46.0 24.1 98 99 A E T 3 S+ 0 0 136 1,-0.3 2,-0.8 2,-0.0 -1,-0.1 0.948 114.1 33.1 -60.0 -52.4 5.2 47.1 24.0 99 100 A Y T > S- 0 0 112 -5,-0.0 3,-2.1 4,-0.0 2,-0.3 -0.727 82.9-165.0-108.9 79.3 6.2 44.3 21.5 100 101 A F T < S- 0 0 55 -2,-0.8 -5,-0.1 -3,-0.6 -7,-0.1 -0.466 82.3 -11.9 -63.4 117.9 3.0 44.0 19.4 101 102 A C T >> S+ 0 0 1 -2,-0.3 3,-1.4 1,-0.1 4,-1.1 0.841 87.0 161.2 53.1 38.0 3.5 40.7 17.5 102 103 A G H <> + 0 0 0 -3,-2.1 4,-1.8 1,-0.3 5,-0.2 0.755 67.3 64.9 -61.3 -23.5 7.2 40.7 18.7 103 104 A A H 3> S+ 0 0 0 -4,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.879 97.8 53.9 -68.0 -34.3 7.2 36.9 17.9 104 105 A V H <> S+ 0 0 0 -3,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.897 110.1 47.5 -62.9 -43.9 6.7 37.7 14.1 105 106 A D H X S+ 0 0 68 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.865 111.7 49.7 -61.7 -41.8 9.8 40.1 14.2 106 107 A A H X S+ 0 0 32 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.906 112.4 46.2 -64.3 -43.7 12.0 37.6 16.0 107 108 A I H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.927 113.4 49.9 -66.9 -45.0 11.1 34.8 13.6 108 109 A E H X S+ 0 0 12 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.935 109.7 51.9 -57.6 -47.9 11.7 37.1 10.6 109 110 A E H X S+ 0 0 122 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.878 111.4 45.5 -59.4 -40.9 15.1 38.2 12.0 110 111 A K H X S+ 0 0 47 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.910 112.8 50.8 -69.5 -44.1 16.4 34.6 12.5 111 112 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 -2,-0.2 0.922 110.4 49.9 -58.1 -44.2 15.1 33.6 9.0 112 113 A K H ><5S+ 0 0 105 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.905 110.5 49.6 -56.6 -49.6 16.9 36.6 7.4 113 114 A N H 3<5S+ 0 0 122 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 108.0 56.2 -62.8 -29.5 20.1 35.6 9.3 114 115 A L T 3<5S- 0 0 42 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.361 121.9-103.8 -87.1 5.1 19.7 32.0 8.0 115 116 A G T < 5 + 0 0 27 -3,-1.4 -31,-3.5 1,-0.2 -3,-0.2 0.615 69.1 148.6 84.1 16.6 19.6 33.1 4.3 116 117 A A < - 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