==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 08-JUN-00 1F4P . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR R.A.REYNOLDS,W.WATT,K.D.WATENPAUGH . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 71.4 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 . 8 5.4 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 2 0 0 0 1 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 68 0, 0.0 30,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 150.3 29.4 42.7 37.7 2 3 A K E -a 31 0A 83 28,-0.2 48,-1.9 46,-0.2 49,-1.3 -0.926 360.0-166.2-115.0 134.5 26.8 39.9 38.2 3 4 A A E -ab 32 51A 0 28,-2.9 30,-2.6 -2,-0.4 2,-0.4 -0.973 5.2-155.5-121.6 141.6 26.5 36.9 35.9 4 5 A L E -ab 33 52A 0 47,-2.3 49,-3.0 -2,-0.4 2,-0.5 -0.950 5.1-167.8-113.7 133.4 23.6 34.5 35.8 5 6 A I E -ab 34 53A 0 28,-2.7 30,-3.0 -2,-0.4 2,-0.4 -0.995 6.4-176.7-120.1 126.1 24.0 31.0 34.5 6 7 A V E -ab 35 54A 0 47,-2.7 49,-2.8 -2,-0.5 2,-0.4 -0.996 8.4-176.7-125.3 128.2 20.8 29.0 33.9 7 8 A Y E -ab 36 55A 19 28,-1.9 30,-3.2 -2,-0.4 2,-0.5 -0.975 24.2-156.3-130.0 148.0 21.0 25.5 32.8 8 9 A G E + b 0 56A 0 47,-2.2 49,-1.1 -2,-0.4 2,-0.3 -0.979 31.8 158.8-117.7 117.9 18.8 22.6 31.7 9 10 A S + 0 0 14 -2,-0.5 -2,-0.1 47,-0.2 47,-0.0 -0.975 25.1 178.3-146.8 136.1 20.4 19.3 32.2 10 11 A T S S+ 0 0 86 -2,-0.3 -1,-0.1 58,-0.0 0, 0.0 0.761 89.9 28.4-103.8 -39.2 19.1 15.8 32.6 11 12 A T S S- 0 0 95 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.419 113.0-104.0-105.9 -2.7 22.1 13.6 32.9 12 13 A G S > S+ 0 0 20 4,-0.0 4,-2.4 3,-0.0 5,-0.2 0.353 89.5 111.9 101.5 -3.4 24.3 16.2 34.5 13 14 A N H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.962 82.5 40.3 -71.7 -51.9 26.5 17.1 31.6 14 15 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.829 114.1 57.4 -64.1 -28.3 25.3 20.6 31.0 15 16 A E H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.926 106.7 46.8 -66.0 -45.3 25.2 21.1 34.7 16 17 A Y H X S+ 0 0 30 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.900 112.1 52.0 -57.0 -43.6 28.9 20.2 35.1 17 18 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.954 109.3 49.1 -63.1 -41.0 29.6 22.5 32.2 18 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.913 110.3 50.7 -63.5 -41.1 27.7 25.4 33.9 19 20 A E H X S+ 0 0 72 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.875 109.6 51.6 -64.4 -37.1 29.6 24.8 37.2 20 21 A T H X S+ 0 0 11 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.916 112.6 44.3 -64.5 -44.7 32.9 24.9 35.3 21 22 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.924 109.6 57.4 -65.2 -43.9 32.0 28.2 33.7 22 23 A A H X S+ 0 0 14 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.905 106.1 48.8 -56.1 -42.1 30.7 29.6 36.9 23 24 A R H X S+ 0 0 159 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.891 110.1 51.9 -68.0 -37.1 34.0 29.0 38.7 24 25 A E H X S+ 0 0 28 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.939 112.3 45.2 -61.3 -48.6 35.9 30.6 35.9 25 26 A L H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-0.7 0.889 113.2 50.4 -62.6 -43.4 33.8 33.7 36.0 26 27 A A H ><5S+ 0 0 48 -4,-2.5 3,-1.2 -5,-0.3 -1,-0.2 0.917 106.5 54.1 -61.6 -39.9 33.9 33.9 39.8 27 28 A D H 3<5S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.791 106.3 54.8 -65.2 -24.8 37.7 33.6 39.8 28 29 A A H 3<5S- 0 0 47 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.648 129.8 -92.5 -81.4 -20.1 37.8 36.6 37.4 29 30 A G T <<5S+ 0 0 58 -3,-1.2 -3,-0.2 -4,-0.7 2,-0.2 0.375 79.5 132.7 124.3 -1.5 35.7 38.8 39.8 30 31 A Y < - 0 0 42 -5,-2.2 2,-0.6 -8,-0.1 -1,-0.3 -0.510 57.3-127.2 -76.4 150.2 32.1 38.3 38.7 31 32 A E E -a 2 0A 127 -30,-2.9 -28,-2.9 -2,-0.2 2,-0.4 -0.859 38.1-157.5 -90.7 118.3 29.4 37.6 41.3 32 33 A V E -a 3 0A 46 -2,-0.6 2,-0.5 -30,-0.2 -28,-0.2 -0.890 22.0-170.8-111.1 136.7 27.8 34.5 39.8 33 34 A D E -a 4 0A 53 -30,-2.6 -28,-2.7 -2,-0.4 2,-0.5 -0.995 11.9-168.1-121.1 114.7 24.4 33.0 40.4 34 35 A S E -a 5 0A 49 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.957 10.6-180.0-112.3 124.6 24.0 29.6 38.9 35 36 A R E -a 6 0A 75 -30,-3.0 -28,-1.9 -2,-0.5 2,-0.3 -0.992 29.9-126.3-133.7 134.8 20.5 28.2 38.6 36 37 A D E > -a 7 0A 48 -2,-0.4 3,-2.5 -30,-0.2 -28,-0.2 -0.602 27.4-129.3 -72.1 131.3 18.9 25.0 37.4 37 38 A A G > S+ 0 0 5 -30,-3.2 3,-1.3 -2,-0.3 -29,-0.1 0.761 105.0 68.5 -52.7 -28.0 16.2 25.9 35.0 38 39 A A G 3 S+ 0 0 65 -31,-0.4 -1,-0.3 1,-0.3 -30,-0.1 0.728 101.2 47.9 -62.5 -24.7 13.8 23.7 36.9 39 40 A S G < S+ 0 0 85 -3,-2.5 2,-0.3 2,-0.0 -1,-0.3 0.257 98.8 83.0-100.0 5.1 13.9 26.2 39.7 40 41 A V < - 0 0 28 -3,-1.3 2,-0.4 -4,-0.2 33,-0.0 -0.803 61.3-141.4-112.1 166.0 13.4 29.5 37.9 41 42 A E - 0 0 169 -2,-0.3 -2,-0.0 2,-0.1 32,-0.0 -0.888 18.4-135.8-114.3 142.9 10.5 31.5 36.5 42 43 A A S > S+ 0 0 17 -2,-0.4 3,-2.3 2,-0.1 4,-0.3 0.834 71.4 103.0 -65.0 -42.3 10.9 33.3 33.2 43 44 A G T 3 S- 0 0 52 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.321 107.5 -18.0 -58.9 114.1 9.4 36.6 34.1 44 45 A G T > S+ 0 0 31 35,-3.1 3,-1.8 -2,-0.2 -1,-0.3 0.665 87.5 149.0 64.5 18.1 12.2 39.1 34.6 45 46 A L T < + 0 0 12 -3,-2.3 36,-0.1 1,-0.3 -2,-0.1 0.824 69.5 47.1 -49.6 -39.5 14.7 36.4 35.1 46 47 A F T > S+ 0 0 0 34,-2.6 3,-2.1 -4,-0.3 -1,-0.3 0.515 80.3 129.9 -86.4 -0.8 17.6 38.4 33.6 47 48 A E T < S+ 0 0 129 -3,-1.8 3,-0.1 33,-0.3 34,-0.0 -0.242 75.8 12.5 -59.1 133.7 16.9 41.6 35.6 48 49 A G T 3 S+ 0 0 47 1,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.420 97.5 120.4 86.5 -5.7 19.9 42.9 37.3 49 50 A F < - 0 0 9 -3,-2.1 -1,-0.2 1,-0.1 37,-0.2 -0.836 47.5-162.5-102.8 138.9 22.5 40.8 35.5 50 51 A D S S+ 0 0 89 -48,-1.9 36,-0.5 -2,-0.5 2,-0.3 0.724 84.0 20.6 -81.2 -27.0 25.3 42.1 33.5 51 52 A L E -b 3 0A 1 -49,-1.3 -47,-2.3 34,-0.1 2,-0.4 -0.986 66.6-164.4-146.3 134.1 25.9 38.8 31.7 52 53 A V E -bc 4 87A 0 34,-2.2 36,-1.7 -2,-0.3 2,-0.5 -0.990 1.4-166.9-126.9 129.6 23.6 35.8 31.2 53 54 A L E -bc 5 88A 1 -49,-3.0 -47,-2.7 -2,-0.4 2,-0.5 -0.974 7.3-164.1-117.4 125.2 24.8 32.4 30.2 54 55 A L E -bc 6 89A 0 34,-2.1 36,-2.4 -2,-0.5 2,-0.4 -0.969 7.0-175.7-116.2 130.6 22.2 29.9 29.1 55 56 A G E +bc 7 90A 0 -49,-2.8 -47,-2.2 -2,-0.5 2,-0.3 -0.965 9.4 158.2-128.1 140.4 22.8 26.2 28.8 56 57 A C E -b 8 0A 0 34,-1.8 -47,-0.2 -2,-0.4 48,-0.1 -0.965 29.9-130.4-158.8 143.0 20.7 23.4 27.6 57 58 A S - 0 0 10 -49,-1.1 10,-1.1 -2,-0.3 2,-0.4 -0.377 30.3-116.6 -86.5 165.8 21.1 19.8 26.2 58 59 A T E +F 66 0B 30 34,-0.9 8,-0.2 8,-0.2 2,-0.2 -0.897 38.6 157.8-114.1 137.6 19.3 18.6 23.1 59 60 A W E +F 65 0B 110 6,-3.1 6,-2.4 -2,-0.4 4,-0.1 -0.540 8.5 123.8-134.6-166.0 16.7 15.9 22.9 60 61 A G - 0 0 16 4,-0.2 5,-0.1 -2,-0.2 7,-0.0 0.250 53.4-117.2 111.5 133.8 13.9 14.6 20.7 61 62 A D S S- 0 0 150 1,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.921 106.2 -16.8 -63.1 -54.4 13.1 11.4 19.0 62 63 A D S S+ 0 0 144 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.117 131.2 59.6-148.6 42.3 13.2 12.8 15.4 63 64 A S S S- 0 0 52 -4,-0.1 2,-0.7 36,-0.0 36,-0.0 -0.932 92.2 -92.4-153.7 167.8 13.0 16.5 16.0 64 65 A I + 0 0 75 -2,-0.3 2,-0.4 38,-0.1 -4,-0.2 -0.834 50.5 176.0 -88.6 118.9 15.2 19.0 17.9 65 66 A E E -F 59 0B 95 -6,-2.4 -6,-3.1 -2,-0.7 38,-0.2 -0.943 24.7-129.0-126.6 140.9 13.7 19.3 21.4 66 67 A L E -F 58 0B 17 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.1 -0.465 44.1 -79.7 -81.3 159.6 15.1 21.3 24.2 67 68 A Q >> - 0 0 3 -10,-1.1 3,-1.2 -59,-0.1 4,-1.0 -0.365 47.9-115.4 -55.6 135.1 15.7 19.9 27.7 68 69 A D T 34 S+ 0 0 121 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.773 111.2 51.0 -50.0 -40.7 12.4 19.7 29.5 69 70 A D T 34 S+ 0 0 62 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.749 110.7 51.3 -74.6 -20.0 13.2 22.1 32.3 70 71 A F T <> S+ 0 0 0 -3,-1.2 4,-2.5 1,-0.2 5,-0.2 0.679 88.5 82.3 -84.8 -25.3 14.4 24.7 29.8 71 72 A I H X S+ 0 0 51 -4,-1.0 4,-3.0 -3,-0.3 5,-0.2 0.915 89.2 49.6 -49.8 -50.4 11.3 24.6 27.7 72 73 A P H > S+ 0 0 78 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.884 111.9 49.7 -60.0 -34.0 9.2 26.9 29.8 73 74 A L H 4 S+ 0 0 6 -4,-0.4 3,-0.4 2,-0.2 -2,-0.2 0.930 112.3 46.9 -67.9 -44.9 12.0 29.4 29.9 74 75 A F H >< S+ 0 0 42 -4,-2.5 3,-1.6 1,-0.2 4,-0.2 0.928 109.8 54.1 -62.2 -41.1 12.5 29.3 26.1 75 76 A D H 3< S+ 0 0 97 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.770 118.3 35.4 -65.5 -23.9 8.7 29.6 25.5 76 77 A S T >< S+ 0 0 38 -4,-0.9 3,-2.4 -3,-0.4 -1,-0.3 0.021 77.1 124.8-115.5 27.2 8.7 32.7 27.6 77 78 A L G X + 0 0 0 -3,-1.6 3,-1.7 1,-0.3 5,-0.5 0.814 64.3 68.4 -58.3 -31.2 12.0 34.2 26.6 78 79 A E G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -4,-0.2 3,-0.2 0.645 99.3 51.2 -63.6 -14.2 10.4 37.4 25.6 79 80 A E G < S+ 0 0 112 -3,-2.4 -35,-3.1 -6,-0.2 -1,-0.3 0.311 87.6 83.9-100.4 5.3 9.6 38.1 29.2 80 81 A T S < S- 0 0 0 -3,-1.7 -34,-2.6 -37,-0.2 -33,-0.3 0.629 103.3-105.5 -85.0 -19.6 13.1 37.6 30.6 81 82 A G + 0 0 22 -4,-0.3 -3,-0.1 -3,-0.2 -2,-0.1 0.772 67.5 147.0 95.0 35.4 14.7 41.0 30.0 82 83 A A > + 0 0 4 -5,-0.5 3,-2.3 2,-0.1 35,-0.2 0.669 28.4 112.5 -80.2 -20.6 16.8 39.9 27.1 83 84 A Q T 3 S- 0 0 155 1,-0.3 33,-0.2 -5,-0.1 32,-0.2 -0.419 97.6 -4.1 -61.0 129.3 16.8 43.1 25.1 84 85 A G T 3 S+ 0 0 48 31,-2.7 2,-0.3 1,-0.2 -1,-0.3 0.570 102.3 138.4 68.2 10.3 20.2 44.7 25.1 85 86 A R < - 0 0 44 -3,-2.3 32,-3.2 30,-0.0 2,-0.5 -0.715 57.5-124.0 -88.6 140.4 21.4 42.0 27.4 86 87 A K E + d 0 117A 50 -36,-0.5 -34,-2.2 -2,-0.3 2,-0.3 -0.712 46.4 163.7 -84.2 122.4 24.8 40.4 26.9 87 88 A V E -cd 52 118A 0 30,-2.6 32,-2.6 -2,-0.5 33,-0.5 -0.943 23.4-174.3-137.6 157.9 24.3 36.6 26.6 88 89 A A E -c 53 0A 0 -36,-1.7 -34,-2.1 -2,-0.3 2,-0.3 -0.967 16.2-141.2-151.0 155.2 26.0 33.5 25.5 89 90 A C E +c 54 0A 0 31,-0.5 34,-2.1 -2,-0.3 2,-0.3 -0.859 16.9 175.3-120.7 155.2 24.8 29.9 25.1 90 91 A F E +ce 55 123A 0 -36,-2.4 -34,-1.8 -2,-0.3 2,-0.3 -0.951 4.7 168.1-151.4 162.1 26.3 26.6 25.7 91 92 A G E - e 0 124A 0 32,-1.9 34,-2.4 -2,-0.3 2,-0.3 -0.948 27.3-123.2-169.6 159.1 25.1 23.0 25.6 92 93 A C E + e 0 125A 4 -2,-0.3 -34,-0.9 32,-0.2 2,-0.2 -0.769 40.4 140.8-109.2 150.6 26.0 19.3 25.7 93 94 A G E - e 0 126A 20 32,-2.5 34,-1.6 -2,-0.3 2,-0.4 -0.830 45.7 -99.7-162.4-159.4 25.1 16.9 23.0 94 95 A D > - 0 0 78 -2,-0.2 3,-2.0 32,-0.2 7,-0.1 -0.978 15.8-142.1-150.2 120.1 26.3 13.9 21.1 95 96 A S T 3 S+ 0 0 70 -2,-0.4 5,-0.1 1,-0.3 31,-0.0 0.490 91.6 84.9 -72.4 4.4 27.7 14.2 17.6 96 97 A S T 3 S+ 0 0 91 3,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.765 84.3 74.8 -68.0 -24.5 26.0 10.9 16.6 97 98 A W S < S- 0 0 141 -3,-2.0 3,-0.3 1,-0.1 -3,-0.1 -0.796 81.8-141.7 -88.1 135.8 23.1 13.2 16.0 98 99 A E S S+ 0 0 166 -2,-0.5 2,-1.9 1,-0.3 -1,-0.1 0.877 100.3 60.2 -59.4 -41.9 23.1 15.4 12.9 99 100 A Y S > S- 0 0 146 -3,-0.1 3,-2.0 -5,-0.0 -1,-0.3 -0.432 85.2-169.9 -91.1 72.3 21.6 18.3 14.8 100 101 A F T 3 S- 0 0 58 -2,-1.9 -5,-0.1 1,-0.3 -7,-0.1 -0.381 70.4 -12.0 -67.4 120.5 24.5 18.4 17.2 101 102 A C T >> S+ 0 0 1 -2,-0.3 3,-1.7 -7,-0.1 4,-0.9 0.840 84.3 163.9 54.0 36.8 23.7 20.7 20.1 102 103 A G H <> + 0 0 1 -3,-2.0 4,-2.0 1,-0.3 5,-0.2 0.767 63.7 68.0 -58.2 -26.7 20.7 21.9 18.2 103 104 A A H 3> S+ 0 0 0 -4,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.860 94.5 57.7 -59.6 -38.6 19.2 23.4 21.3 104 105 A V H <> S+ 0 0 0 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 0.929 106.1 48.7 -60.3 -43.5 22.0 26.0 21.3 105 106 A D H X S+ 0 0 75 -4,-0.9 4,-2.3 1,-0.2 5,-0.2 0.904 109.9 51.5 -62.5 -41.2 21.1 27.1 17.8 106 107 A A H X S+ 0 0 29 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.906 112.7 45.4 -62.8 -40.2 17.4 27.4 18.7 107 108 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.937 112.1 51.2 -70.8 -42.2 18.2 29.5 21.8 108 109 A E H X S+ 0 0 14 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.904 109.0 51.0 -58.2 -44.6 20.6 31.7 20.0 109 110 A E H X S+ 0 0 125 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.929 111.4 46.6 -63.0 -40.9 18.2 32.5 17.2 110 111 A K H X S+ 0 0 45 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.943 110.6 53.2 -66.6 -43.9 15.4 33.5 19.6 111 112 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.4 0.886 107.2 51.9 -55.8 -43.6 17.8 35.6 21.6 112 113 A K H ><5S+ 0 0 123 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.921 108.7 49.8 -61.4 -42.4 18.9 37.5 18.4 113 114 A N H 3<5S+ 0 0 123 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.898 108.2 56.5 -60.2 -36.9 15.2 38.1 17.5 114 115 A L T 3<5S- 0 0 47 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.509 119.7-108.3 -77.3 -4.4 14.8 39.4 21.1 115 116 A G T < 5 + 0 0 38 -3,-1.3 -31,-2.7 -4,-0.4 -3,-0.2 0.656 65.9 150.0 88.4 15.1 17.5 42.0 20.8 116 117 A A < - 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