==== 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 1AKV . 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) . 6901.0 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 . 13 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.6 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 80 0, 0.0 30,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.1 48.8 25.9 -6.8 2 3 A K E -a 31 0A 58 28,-0.2 48,-2.4 46,-0.1 49,-1.5 -0.972 360.0-168.4-111.5 121.0 48.6 28.0 -3.6 3 4 A A E -ab 32 51A 0 28,-3.2 30,-2.9 -2,-0.5 2,-0.5 -0.902 11.5-156.7-116.0 141.3 49.0 26.0 -0.4 4 5 A L E -ab 33 52A 0 47,-2.8 49,-2.7 -2,-0.4 2,-0.5 -0.950 8.6-168.5-108.5 128.9 48.3 27.2 3.1 5 6 A I E -ab 34 53A 0 28,-3.9 30,-3.7 -2,-0.5 2,-0.4 -0.988 5.8-178.4-115.9 125.8 50.1 25.3 5.9 6 7 A V E -ab 35 54A 0 47,-2.4 49,-2.8 -2,-0.5 2,-0.3 -0.998 9.1-174.9-124.9 124.6 48.9 26.0 9.5 7 8 A Y E -ab 36 55A 23 28,-2.3 30,-3.8 -2,-0.4 2,-0.5 -0.910 23.2-155.9-127.8 154.4 50.6 24.3 12.4 8 9 A G E + b 0 56A 0 47,-1.6 49,-1.4 -2,-0.3 2,-0.4 -0.998 28.5 166.2-120.6 121.8 50.3 24.0 16.2 9 10 A S - 0 0 14 -2,-0.5 -2,-0.1 47,-0.2 47,-0.0 -0.973 24.9-179.6-149.3 124.1 53.5 23.1 17.8 10 11 A T S S+ 0 0 77 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 0.890 92.7 19.8 -87.7 -49.4 54.6 23.3 21.5 11 12 A T S S- 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.371 112.5-101.4-105.0 7.3 58.2 22.1 21.3 12 13 A G S > S+ 0 0 17 4,-0.0 4,-2.2 3,-0.0 5,-0.2 0.443 91.1 110.9 94.3 -1.6 58.9 22.8 17.5 13 14 A N H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.932 84.3 41.1 -72.6 -45.1 58.5 19.3 16.1 14 15 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.805 115.1 54.7 -68.3 -30.5 55.3 19.9 14.2 15 16 A E H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 107.9 47.0 -67.7 -46.5 56.8 23.3 13.2 16 17 A Y H X S+ 0 0 39 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.920 112.5 52.6 -58.6 -44.1 59.9 21.6 11.8 17 18 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.951 108.3 49.0 -56.0 -52.3 57.5 19.2 10.0 18 19 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.850 111.3 49.5 -60.5 -37.8 55.6 22.1 8.5 19 20 A E H X S+ 0 0 100 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.841 110.0 51.2 -71.9 -35.0 58.8 23.8 7.3 20 21 A T H X S+ 0 0 15 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.880 114.3 43.6 -64.2 -46.1 60.0 20.5 5.7 21 22 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.942 112.1 53.1 -63.3 -48.2 56.6 20.2 3.9 22 23 A A H X S+ 0 0 17 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.911 110.6 47.9 -56.5 -47.5 56.6 24.0 2.9 23 24 A R H X S+ 0 0 164 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.880 110.0 51.5 -63.2 -40.4 60.1 23.7 1.3 24 25 A E H X S+ 0 0 26 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.929 115.3 41.7 -63.9 -46.1 59.1 20.5 -0.6 25 26 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-0.6 0.905 113.9 51.8 -70.8 -41.9 56.0 22.2 -2.0 26 27 A A H ><5S+ 0 0 51 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.883 105.9 55.7 -63.5 -37.7 57.8 25.5 -2.7 27 28 A D H 3<5S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 103.8 54.6 -63.0 -31.0 60.6 23.6 -4.6 28 29 A A T <<5S- 0 0 48 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.297 128.5 -98.5 -81.0 -5.0 57.9 22.1 -6.9 29 30 A G T < 5S+ 0 0 62 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.458 74.7 142.4 99.1 3.2 56.7 25.7 -7.7 30 31 A Y < - 0 0 24 -5,-2.1 2,-0.5 -8,-0.1 -1,-0.3 -0.474 55.8-122.7 -72.0 156.6 53.7 26.0 -5.4 31 32 A E E -a 2 0A 113 -30,-3.0 -28,-3.2 -2,-0.1 2,-0.4 -0.856 39.4-162.8 -93.6 126.4 53.0 29.4 -3.7 32 33 A V E -a 3 0A 35 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.986 22.5-170.5-122.3 131.3 53.1 28.3 0.0 33 34 A D E -a 4 0A 44 -30,-2.9 -28,-3.9 -2,-0.4 2,-0.6 -0.981 12.6-173.9-113.8 107.0 51.7 30.3 3.0 34 35 A S E +a 5 0A 50 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.938 11.1 175.2-106.4 115.0 53.0 28.5 6.2 35 36 A R E -a 6 0A 84 -30,-3.7 -28,-2.3 -2,-0.6 2,-0.3 -0.940 34.3-121.5-127.3 144.4 51.5 30.0 9.4 36 37 A D E > -a 7 0A 45 -2,-0.4 3,-1.9 -30,-0.2 4,-0.5 -0.661 28.7-127.3 -74.7 136.6 51.6 29.1 13.1 37 38 A A G > S+ 0 0 6 -30,-3.8 3,-0.9 -2,-0.3 -29,-0.1 0.806 107.4 69.0 -59.2 -26.3 48.0 28.5 14.4 38 39 A A G 3 S+ 0 0 62 -31,-0.4 -1,-0.3 1,-0.2 -30,-0.1 0.734 101.8 44.1 -62.1 -28.0 48.7 31.1 17.1 39 40 A S G < S+ 0 0 89 -3,-1.9 -1,-0.2 2,-0.0 2,-0.2 0.435 98.4 94.5 -96.5 -4.5 48.8 33.9 14.5 40 41 A V < - 0 0 27 -3,-0.9 2,-0.4 -4,-0.5 33,-0.1 -0.581 58.7-148.4 -94.4 151.7 45.7 32.9 12.5 41 42 A E - 0 0 170 -2,-0.2 4,-0.0 2,-0.1 -2,-0.0 -0.959 17.1-143.1-114.2 131.2 42.0 34.0 12.6 42 43 A A > + 0 0 12 -2,-0.4 3,-2.5 2,-0.1 4,-0.3 0.843 65.6 110.2 -68.8 -37.0 39.7 31.1 11.5 43 44 A G T 3 S- 0 0 54 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.151 107.1 -25.1 -48.2 107.2 37.2 33.3 9.6 44 45 A G T > S+ 0 0 19 35,-3.4 3,-1.8 1,-0.1 -1,-0.3 0.659 91.2 148.1 57.6 22.8 37.6 32.5 5.9 45 46 A L T < + 0 0 13 -3,-2.5 -2,-0.1 1,-0.3 36,-0.1 0.839 67.8 48.8 -54.0 -39.2 41.2 31.4 6.5 46 47 A F T > S+ 0 0 0 34,-2.0 3,-1.7 -4,-0.3 -1,-0.3 0.507 81.7 124.1 -85.2 -2.6 41.2 28.8 3.7 47 48 A E T < S+ 0 0 124 -3,-1.8 3,-0.1 33,-0.3 34,-0.1 -0.363 76.2 16.1 -62.5 130.6 39.7 31.0 1.1 48 49 A G T 3 S+ 0 0 53 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.462 97.5 120.0 87.3 1.5 41.8 31.3 -2.0 49 50 A F < - 0 0 7 -3,-1.7 -1,-0.3 1,-0.1 37,-0.2 -0.853 49.3-162.7-102.2 135.4 43.9 28.2 -1.2 50 51 A D S S+ 0 0 85 -48,-2.4 36,-0.5 -2,-0.4 2,-0.3 0.730 84.8 21.3 -81.9 -25.8 44.0 25.3 -3.5 51 52 A L E -b 3 0A 0 -49,-1.5 -47,-2.8 34,-0.1 2,-0.4 -0.997 63.6-165.0-145.6 139.4 45.4 23.2 -0.7 52 53 A V E -bc 4 87A 0 34,-1.9 36,-1.6 -2,-0.3 2,-0.5 -0.986 4.6-167.7-129.7 125.4 45.4 23.5 3.0 53 54 A L E -bc 5 88A 0 -49,-2.7 -47,-2.4 -2,-0.4 2,-0.5 -0.959 7.8-162.6-113.1 115.2 47.7 21.3 5.2 54 55 A L E -bc 6 89A 0 34,-2.0 36,-2.6 -2,-0.5 2,-0.4 -0.908 6.1-170.8-106.2 121.0 46.9 21.3 9.0 55 56 A G E +bc 7 90A 0 -49,-2.8 -47,-1.6 -2,-0.5 2,-0.3 -0.929 11.1 164.6-115.0 136.2 49.6 20.2 11.4 56 57 A C E -b 8 0A 0 34,-2.1 48,-0.2 -2,-0.4 -47,-0.2 -0.920 29.4-134.8-152.8 128.9 49.0 19.6 15.0 57 58 A S - 0 0 10 -49,-1.4 10,-1.5 -2,-0.3 2,-0.4 -0.381 29.9-121.8 -74.8 159.3 50.9 17.8 17.9 58 59 A T E +F 66 0B 24 34,-1.3 2,-0.2 8,-0.2 8,-0.2 -0.850 32.1 175.9-109.1 138.5 48.9 15.5 20.2 59 60 A W E +F 65 0B 101 6,-2.9 6,-1.9 -2,-0.4 2,-0.1 -0.673 33.9 67.9-127.0-179.3 48.8 16.1 24.0 60 61 A G - 0 0 24 -2,-0.2 4,-0.1 4,-0.2 39,-0.1 -0.257 58.3-129.5 93.5 175.4 46.9 14.4 26.8 61 62 A D S S+ 0 0 106 2,-0.3 37,-0.4 -2,-0.1 38,-0.3 0.466 97.6 12.2-131.2 -73.6 47.1 11.0 28.3 62 63 A D S S+ 0 0 125 36,-0.1 2,-0.3 35,-0.1 -2,-0.1 0.348 131.7 46.8 -93.5 -1.0 43.7 9.3 28.4 63 64 A S S S- 0 0 58 36,-0.0 2,-0.5 -4,-0.0 -2,-0.3 -0.995 90.9-109.7-138.9 145.8 42.1 11.9 26.2 64 65 A I - 0 0 66 -2,-0.3 2,-0.4 -4,-0.1 -4,-0.2 -0.680 37.1-176.1 -79.0 130.4 43.2 13.4 23.0 65 66 A E E -F 59 0B 100 -6,-1.9 -6,-2.9 -2,-0.5 2,-0.2 -0.986 18.9-134.5-125.0 132.9 44.2 17.1 23.6 66 67 A L E -F 58 0B 19 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.1 -0.642 40.8 -80.7 -83.7 149.5 45.2 19.2 20.6 67 68 A Q >> - 0 0 1 -10,-1.5 3,-1.7 -2,-0.2 4,-1.1 -0.199 48.7-114.8 -51.4 136.4 48.3 21.4 20.7 68 69 A D T 34 S+ 0 0 113 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.810 111.2 49.7 -47.4 -44.6 47.3 24.6 22.6 69 70 A D T 34 S+ 0 0 50 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.763 108.2 55.5 -72.4 -22.5 47.7 27.1 19.8 70 71 A F T <> S+ 0 0 0 -3,-1.7 4,-2.6 1,-0.2 5,-0.3 0.660 86.0 84.5 -82.0 -22.1 45.7 25.0 17.4 71 72 A I H X S+ 0 0 57 -4,-1.1 4,-2.6 -3,-0.3 5,-0.2 0.903 87.1 48.0 -49.5 -53.1 42.7 24.8 19.7 72 73 A P H > S+ 0 0 83 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.949 113.7 49.2 -58.1 -46.0 40.9 28.1 18.7 73 74 A L H 4 S+ 0 0 6 -4,-0.4 3,-0.3 1,-0.2 -2,-0.2 0.956 113.0 46.1 -58.6 -49.2 41.3 27.3 15.0 74 75 A F H >< S+ 0 0 41 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.940 110.7 53.9 -58.6 -42.6 39.9 23.8 15.5 75 76 A D H 3< S+ 0 0 95 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.827 119.5 33.8 -63.5 -30.8 37.0 25.2 17.6 76 77 A S T >< S+ 0 0 36 -4,-1.7 3,-2.0 -3,-0.3 4,-0.3 0.017 80.3 122.7-111.0 28.3 36.1 27.6 14.7 77 78 A L G X + 0 0 1 -3,-1.3 3,-1.0 1,-0.3 5,-0.4 0.767 64.9 67.9 -62.6 -22.3 37.0 25.3 11.9 78 79 A E G 3 S+ 0 0 105 1,-0.2 -1,-0.3 -4,-0.2 3,-0.3 0.683 97.2 54.0 -72.1 -14.7 33.5 25.6 10.4 79 80 A E G < S+ 0 0 98 -3,-2.0 -35,-3.4 1,-0.1 -1,-0.2 0.465 86.6 83.5 -95.9 -4.8 34.2 29.3 9.6 80 81 A T S < S- 0 0 0 -3,-1.0 -34,-2.0 -4,-0.3 -33,-0.3 0.607 103.6-109.4 -76.4 -12.6 37.4 28.6 7.6 81 82 A G + 0 0 25 -3,-0.3 -3,-0.1 -4,-0.3 -2,-0.1 0.886 66.3 148.5 84.0 40.7 35.8 27.7 4.2 82 83 A A > + 0 0 4 -5,-0.4 3,-2.1 2,-0.1 35,-0.3 0.662 28.4 109.8 -82.9 -20.2 36.7 24.1 4.4 83 84 A Q T 3 S+ 0 0 155 1,-0.3 33,-0.3 -5,-0.1 32,-0.2 -0.391 98.9 0.8 -57.4 130.3 33.7 22.7 2.5 84 85 A G T 3 S+ 0 0 52 31,-3.1 -1,-0.3 1,-0.2 2,-0.2 0.404 101.0 137.7 73.0 -4.2 35.0 21.3 -0.8 85 86 A R < - 0 0 50 -3,-2.1 32,-4.2 1,-0.1 2,-0.4 -0.547 59.5-122.3 -76.8 135.3 38.5 22.4 0.1 86 87 A K E + d 0 117A 66 -36,-0.5 -34,-1.9 -2,-0.2 2,-0.3 -0.674 49.1 165.1 -77.2 122.9 41.4 19.9 -0.7 87 88 A V E -cd 52 118A 0 30,-3.3 32,-3.0 -2,-0.4 33,-0.6 -0.912 25.3-177.6-137.7 167.5 43.0 19.2 2.6 88 89 A A E -c 53 0A 0 -36,-1.6 -34,-2.0 -2,-0.3 2,-0.3 -0.948 17.6-137.5-160.6 151.4 45.4 16.9 4.4 89 90 A C E +c 54 0A 0 31,-0.4 34,-2.7 -2,-0.3 2,-0.3 -0.882 18.3 173.1-122.0 148.8 46.7 16.6 8.0 90 91 A F E +ce 55 123A 1 -36,-2.6 -34,-2.1 -2,-0.3 2,-0.3 -0.939 8.6 158.9-139.0 166.1 50.0 15.9 9.6 91 92 A G E - e 0 124A 0 32,-1.7 34,-2.7 -2,-0.3 2,-0.3 -0.946 34.5-111.9 179.4 160.2 51.3 16.0 13.2 92 93 A C E + e 0 125A 7 -2,-0.3 -34,-1.3 32,-0.2 2,-0.2 -0.745 45.3 139.2-102.9 146.4 53.9 14.8 15.7 93 94 A G E - e 0 126A 18 32,-2.2 34,-2.2 -2,-0.3 2,-0.4 -0.856 47.2 -98.8-161.4-161.6 53.1 12.4 18.5 94 95 A A > - 0 0 30 -2,-0.2 3,-1.8 32,-0.2 7,-0.2 -0.964 14.8-142.8-145.5 120.5 54.6 9.4 20.4 95 96 A S T 3 S+ 0 0 70 -2,-0.4 5,-0.2 1,-0.3 -1,-0.1 0.637 96.9 69.4 -59.7 -12.8 53.6 5.8 19.6 96 97 A S T 3 S+ 0 0 110 3,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.578 84.7 91.1 -79.0 -11.9 53.8 4.9 23.4 97 98 A Y S < S- 0 0 128 -3,-1.8 3,-0.4 1,-0.1 -36,-0.1 -0.484 88.1-118.7 -86.9 155.9 50.7 7.0 24.0 98 99 A E S S+ 0 0 117 -37,-0.4 2,-0.7 1,-0.3 -1,-0.1 0.903 110.6 37.0 -60.0 -46.0 47.2 5.6 23.9 99 100 A Y S > S- 0 0 97 -38,-0.3 3,-2.1 -36,-0.1 2,-0.4 -0.827 83.1-158.6-113.8 83.8 46.2 7.9 21.0 100 101 A F T 3 S- 0 0 56 -2,-0.7 -5,-0.1 -3,-0.4 -7,-0.1 -0.461 82.6 -11.8 -66.1 118.2 49.2 8.2 18.8 101 102 A C T >> S+ 0 0 0 -2,-0.4 4,-1.3 -7,-0.2 3,-1.2 0.846 85.5 160.2 58.4 35.3 48.8 11.4 16.8 102 103 A G H <> + 0 0 0 -3,-2.1 4,-2.4 1,-0.3 5,-0.2 0.772 66.6 66.4 -60.6 -23.0 45.1 11.4 18.0 103 104 A A H 3> S+ 0 0 0 -4,-0.3 4,-2.4 2,-0.2 5,-0.3 0.906 98.3 51.1 -62.5 -40.5 45.1 15.2 17.1 104 105 A V H <> S+ 0 0 1 -3,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.926 111.3 50.1 -59.8 -45.2 45.5 14.2 13.4 105 106 A D H X S+ 0 0 61 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.905 111.6 45.9 -61.0 -46.4 42.5 11.9 13.9 106 107 A A H X S+ 0 0 25 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.889 115.4 45.7 -64.5 -43.8 40.3 14.5 15.6 107 108 A I H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.900 112.7 50.3 -67.2 -42.5 41.1 17.3 13.0 108 109 A E H X S+ 0 0 14 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.938 110.5 50.2 -62.1 -45.5 40.6 14.9 10.0 109 110 A E H X S+ 0 0 120 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.881 112.1 47.5 -62.3 -41.0 37.3 13.8 11.5 110 111 A K H X S+ 0 0 46 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.891 112.1 49.4 -65.3 -39.6 36.2 17.5 11.9 111 112 A L H <>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 3,-0.4 0.912 110.8 50.5 -59.7 -47.0 37.3 18.3 8.3 112 113 A K H ><5S+ 0 0 124 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.917 110.0 50.4 -55.6 -48.3 35.4 15.3 7.0 113 114 A N H 3<5S+ 0 0 130 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.765 108.4 53.4 -64.7 -27.9 32.3 16.5 9.0 114 115 A L T 3<5S- 0 0 39 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.353 120.6-106.2 -89.5 2.4 32.7 20.0 7.4 115 116 A G T < 5 + 0 0 25 -3,-1.4 -31,-3.1 -4,-0.3 -3,-0.2 0.626 65.9 154.4 82.2 16.4 32.8 18.7 3.8 116 117 A A < - 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