==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 13-NOV-08 3F90 . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS; . AUTHOR M.GUELKER,Y.SHAMOO . 1176 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 860 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 223 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 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 . 91 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 314 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.2 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 2 0 0 8 0 0 0 8 6 2 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 1 7 8 16 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 . 8 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 4 0 0 0 0 0 2 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 S 0 0 42 0, 0.0 30,-1.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 144.7 -21.6 -10.2 23.8 2 3 A K E -a 31 0A 46 28,-0.2 48,-1.9 46,-0.1 49,-1.8 -0.842 360.0-173.3 -96.7 120.4 -19.1 -7.4 22.7 3 4 A V E -ab 32 51A 0 28,-2.8 30,-2.5 -2,-0.6 2,-0.5 -0.938 12.6-158.7-117.3 133.2 -19.2 -6.6 19.0 4 5 A L E -ab 33 52A 2 47,-2.1 49,-3.8 -2,-0.4 2,-0.7 -0.940 3.5-166.2-103.9 125.8 -16.8 -4.3 17.1 5 6 A I E -ab 34 53A 0 28,-3.0 30,-3.0 -2,-0.5 2,-0.4 -0.904 11.0-178.8-111.2 102.4 -18.1 -2.9 13.8 6 7 A V E +ab 35 54A 0 47,-2.4 49,-2.8 -2,-0.7 2,-0.3 -0.856 11.0 177.2 -99.2 134.7 -15.2 -1.4 11.9 7 8 A F E -ab 36 55A 0 28,-2.4 30,-3.5 -2,-0.4 2,-0.5 -0.956 30.3-150.1-141.0 153.4 -16.0 0.1 8.5 8 9 A G E + b 0 56A 0 47,-2.1 49,-1.3 -2,-0.3 2,-0.4 -0.991 27.2 167.4-120.5 122.2 -14.5 2.0 5.6 9 10 A S + 0 0 14 -2,-0.5 29,-0.1 47,-0.1 -2,-0.0 -0.990 20.2 178.0-138.6 127.6 -16.9 4.3 3.8 10 11 A S S S+ 0 0 17 -2,-0.4 -1,-0.1 1160,-0.1 1164,-0.1 0.647 93.7 19.9-104.5 -19.3 -16.1 7.0 1.2 11 12 A T S S- 0 0 68 1163,-0.0 -1,-0.0 1148,-0.0 -2,-0.0 0.272 113.0-104.9-127.6 7.4 -19.6 8.2 0.5 12 13 A G S > S+ 0 0 26 116,-0.0 4,-1.9 4,-0.0 5,-0.1 0.319 88.0 110.2 98.9 -8.0 -21.3 6.9 3.6 13 14 A N H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 116,-0.4 0.953 86.1 40.7 -67.4 -50.8 -23.3 3.9 2.5 14 15 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.867 115.1 53.7 -63.1 -37.3 -21.2 1.3 4.2 15 16 A E H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.863 108.4 51.6 -60.0 -37.2 -21.0 3.6 7.2 16 17 A S H X S+ 0 0 21 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.920 107.7 49.2 -66.0 -46.9 -24.8 3.7 7.0 17 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.852 109.9 54.2 -60.3 -35.2 -25.1 -0.1 7.0 18 19 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.884 105.9 50.6 -68.2 -40.2 -22.8 -0.1 10.0 19 20 A Q H X S+ 0 0 56 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.981 112.4 47.4 -59.3 -55.7 -25.0 2.3 12.0 20 21 A K H X S+ 0 0 55 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.886 109.8 52.3 -50.4 -50.3 -28.0 0.1 11.3 21 22 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.943 108.9 50.2 -56.1 -51.4 -26.2 -3.1 12.2 22 23 A E H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.940 112.6 48.6 -49.5 -49.4 -25.2 -1.6 15.5 23 24 A E H X S+ 0 0 46 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.972 114.7 43.2 -55.2 -57.4 -28.8 -0.6 16.1 24 25 A L H < S+ 0 0 49 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 117.8 46.2 -57.7 -38.5 -30.2 -4.0 15.2 25 26 A I H <>S+ 0 0 0 -4,-3.2 5,-1.3 -5,-0.2 3,-0.5 0.780 109.2 52.4 -80.0 -31.2 -27.5 -5.8 17.2 26 27 A A H ><5S+ 0 0 3 -4,-2.7 3,-1.4 -5,-0.3 589,-0.2 0.779 103.8 59.3 -71.5 -28.1 -27.8 -3.6 20.3 27 28 A A T 3<5S+ 0 0 59 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.573 96.0 63.1 -74.4 -10.4 -31.5 -4.4 20.2 28 29 A G T 3 5S- 0 0 40 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.448 129.3-101.1 -87.5 -4.3 -30.4 -8.0 20.5 29 30 A G T < 5S+ 0 0 46 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.634 78.3 133.3 97.2 18.0 -29.0 -6.9 23.9 30 31 A H < - 0 0 23 -5,-1.3 2,-0.6 -8,-0.1 -1,-0.3 -0.625 59.3-117.4-105.1 158.1 -25.4 -6.6 23.0 31 32 A E E -a 2 0A 16 -30,-1.8 -28,-2.8 -2,-0.2 2,-0.4 -0.845 39.3-172.9 -90.3 120.2 -22.6 -4.0 23.6 32 33 A V E -a 3 0A 0 -2,-0.6 594,-1.4 -30,-0.2 2,-0.5 -0.881 16.7-160.3-116.8 146.2 -21.5 -2.7 20.2 33 34 A T E -aC 4 625A 7 -30,-2.5 -28,-3.0 -2,-0.4 2,-0.4 -0.986 10.6-151.0-124.7 122.2 -18.6 -0.4 19.3 34 35 A L E -a 5 0A 2 590,-1.6 2,-0.4 -2,-0.5 -28,-0.2 -0.777 19.0-175.6 -90.6 129.2 -18.7 1.5 16.0 35 36 A L E -a 6 0A 31 -30,-3.0 -28,-2.4 -2,-0.4 2,-0.4 -0.970 22.8-140.5-134.1 123.0 -15.3 2.3 14.5 36 37 A N E > -a 7 0A 29 -2,-0.4 3,-2.1 -30,-0.2 -28,-0.2 -0.656 17.3-139.3 -75.6 130.1 -14.3 4.2 11.5 37 38 A A G > S+ 0 0 7 -30,-3.5 3,-1.0 -2,-0.4 -29,-0.2 0.743 103.9 64.2 -62.1 -25.0 -11.4 2.5 9.7 38 39 A A G 3 S+ 0 0 52 -31,-0.4 -1,-0.3 1,-0.2 -30,-0.1 0.683 109.4 40.4 -69.3 -17.2 -9.9 5.9 9.2 39 40 A D G < S+ 0 0 121 -3,-2.1 2,-0.3 2,-0.0 -1,-0.2 0.235 97.0 111.8-111.3 9.8 -9.6 6.1 12.9 40 41 A A < - 0 0 24 -3,-1.0 2,-0.6 29,-0.1 3,-0.1 -0.627 50.8-156.8 -96.5 144.5 -8.5 2.5 13.6 41 42 A S - 0 0 91 -2,-0.3 4,-0.1 1,-0.2 32,-0.1 -0.960 10.2-153.9-115.4 110.3 -5.2 1.2 14.9 42 43 A A > + 0 0 4 -2,-0.6 3,-3.2 2,-0.1 4,-0.3 0.875 64.0 105.3 -47.3 -48.6 -4.8 -2.5 13.8 43 44 A E T 3 S- 0 0 94 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.108 109.6 -21.5 -48.3 108.4 -2.5 -3.4 16.7 44 45 A N T > S+ 0 0 83 35,-2.8 3,-1.8 1,-0.1 -1,-0.3 0.684 89.0 152.8 64.9 21.4 -4.6 -5.4 19.1 45 46 A L T < + 0 0 28 -3,-3.2 36,-0.1 1,-0.3 -2,-0.1 0.775 67.7 49.8 -52.8 -32.9 -7.8 -4.0 17.6 46 47 A A T > S+ 0 0 0 34,-2.4 3,-2.5 -4,-0.3 -1,-0.3 0.559 76.8 132.0 -88.3 -8.4 -9.9 -7.0 18.5 47 48 A D T < S+ 0 0 86 -3,-1.8 3,-0.1 33,-0.3 35,-0.0 -0.183 78.5 11.2 -51.0 124.0 -8.8 -7.3 22.2 48 49 A G T 3 S+ 0 0 55 1,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.426 100.8 121.7 89.5 -0.2 -11.9 -7.7 24.4 49 50 A Y < - 0 0 36 -3,-2.5 -1,-0.3 1,-0.1 -46,-0.2 -0.815 51.5-159.1-104.5 135.5 -14.3 -8.3 21.6 50 51 A D S S+ 0 0 83 -48,-1.9 36,-1.7 -2,-0.4 2,-0.3 0.860 83.7 2.8 -74.7 -34.9 -16.4 -11.4 21.2 51 52 A A E -bd 3 86A 0 -49,-1.8 -47,-2.1 34,-0.2 2,-0.4 -0.983 63.6-145.8-149.2 155.1 -16.8 -10.7 17.5 52 53 A V E -bd 4 87A 0 34,-3.0 36,-1.5 -2,-0.3 2,-0.5 -0.979 7.0-158.9-129.2 122.4 -15.6 -8.3 14.8 53 54 A L E -bd 5 88A 0 -49,-3.8 -47,-2.4 -2,-0.4 2,-0.5 -0.879 11.2-156.6-100.1 124.7 -17.7 -7.1 11.8 54 55 A F E -bd 6 89A 0 34,-2.5 36,-2.5 -2,-0.5 2,-0.5 -0.883 6.5-168.4-104.6 127.3 -15.7 -5.6 8.9 55 56 A G E +bd 7 90A 0 -49,-2.8 -47,-2.1 -2,-0.5 2,-0.3 -0.961 13.9 162.9-117.2 123.7 -17.2 -3.2 6.5 56 57 A C E -b 8 0A 1 34,-1.9 47,-0.2 -2,-0.5 -47,-0.1 -0.905 24.4-146.5-144.7 112.3 -15.5 -2.3 3.2 57 58 A S - 0 0 8 -49,-1.3 10,-0.7 -2,-0.3 2,-0.4 -0.346 29.5-107.3 -73.1 158.9 -17.1 -0.7 0.2 58 59 A A + 0 0 30 34,-1.5 2,-0.3 8,-0.1 8,-0.1 -0.708 33.5 175.6 -97.6 137.8 -15.8 -1.6 -3.3 59 60 A W - 0 0 49 -2,-0.4 6,-0.5 1,-0.1 7,-0.3 -0.827 6.8-172.5-142.7 98.1 -13.7 0.8 -5.5 60 61 A G + 0 0 65 -2,-0.3 5,-0.3 5,-0.1 -1,-0.1 0.829 62.2 57.3 -65.3 -39.2 -12.6 -0.8 -8.7 61 62 A M S > S- 0 0 159 1,-0.1 4,-0.7 2,-0.1 3,-0.3 0.474 113.0 -11.1 -76.5-143.2 -10.2 1.8 -10.1 62 63 A E T 4 S+ 0 0 128 1,-0.3 2,-0.6 2,-0.1 -1,-0.1 0.526 110.4 86.3 -24.0 -29.2 -7.1 3.5 -8.7 63 64 A D T >4 S- 0 0 24 -4,-0.2 3,-1.7 1,-0.1 -1,-0.3 -0.010 98.7-110.1 -95.0 36.4 -7.6 2.2 -5.2 64 65 A L T 34 S- 0 0 117 -2,-0.6 -1,-0.1 -3,-0.3 -2,-0.1 0.860 75.5 -59.0 49.2 37.3 -6.0 -1.3 -5.2 65 66 A E T 3< S+ 0 0 158 -4,-0.7 -1,-0.3 -6,-0.5 2,-0.3 0.483 117.7 56.8 88.5 2.8 -9.2 -3.1 -5.0 66 67 A M S < S- 0 0 10 -3,-1.7 2,-0.2 -7,-0.3 -8,-0.1 -0.936 90.5 -69.7-156.6 171.8 -10.7 -1.7 -1.7 67 68 A Q >> - 0 0 0 -10,-0.7 4,-2.4 -2,-0.3 3,-0.7 -0.539 51.7-112.3 -76.4 136.8 -11.8 1.5 0.1 68 69 A D H >> S+ 0 0 48 1,-0.2 4,-1.2 -2,-0.2 3,-0.6 0.836 109.8 36.3 -24.1 -79.9 -9.0 3.8 1.2 69 70 A D H 3> S+ 0 0 54 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.719 116.6 54.0 -65.0 -24.8 -9.0 3.6 5.0 70 71 A F H <> S+ 0 0 0 -3,-0.7 4,-3.8 2,-0.2 -1,-0.3 0.865 100.5 60.8 -77.4 -33.9 -9.9 -0.1 5.0 71 72 A L H < S+ 0 0 7 -4,-0.9 3,-3.1 2,-0.2 -2,-0.2 0.980 111.3 50.7 -72.0 -62.3 -6.4 -1.7 8.0 74 75 A F H >< S+ 0 0 26 -4,-3.8 3,-2.7 1,-0.3 4,-0.2 0.864 101.7 63.5 -40.2 -50.6 -6.8 -4.9 6.0 75 76 A E T 3< S+ 0 0 134 -4,-2.0 -1,-0.3 1,-0.3 3,-0.2 0.647 107.8 43.7 -53.4 -18.6 -3.0 -4.9 5.2 76 77 A E T X S+ 0 0 79 -3,-3.1 3,-2.1 -4,-0.2 4,-0.3 -0.005 73.8 127.1-117.0 28.1 -2.4 -5.3 8.9 77 78 A F G X + 0 0 4 -3,-2.7 3,-2.3 1,-0.3 4,-0.4 0.862 66.8 62.5 -51.0 -41.9 -5.0 -7.9 9.6 78 79 A D G 3 S+ 0 0 117 1,-0.3 -1,-0.3 -4,-0.2 5,-0.1 0.523 99.9 55.3 -69.5 -3.7 -2.5 -10.2 11.3 79 80 A R G < S+ 0 0 98 -3,-2.1 -35,-2.8 1,-0.1 -1,-0.3 0.449 89.7 79.2 -98.7 -5.1 -1.9 -7.6 14.0 80 81 A I S < S- 0 0 0 -3,-2.3 -34,-2.4 -4,-0.3 -33,-0.3 0.751 97.8-122.6 -80.7 -24.0 -5.6 -7.4 14.9 81 82 A G + 0 0 30 -4,-0.4 -3,-0.1 -36,-0.1 -2,-0.1 0.848 54.5 152.6 84.9 39.7 -5.8 -10.5 17.0 82 83 A L > + 0 0 3 -5,-0.4 3,-2.3 2,-0.1 35,-0.2 0.625 25.2 124.5 -78.2 -14.3 -8.5 -12.3 15.1 83 84 A A T 3 S- 0 0 71 1,-0.3 33,-0.2 33,-0.1 32,-0.2 -0.259 88.1 -0.7 -53.9 117.8 -7.4 -15.8 16.1 84 85 A G T 3 S+ 0 0 65 31,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.747 105.2 124.8 73.2 24.7 -10.4 -17.5 17.6 85 86 A R < - 0 0 61 -3,-2.3 32,-2.0 30,-0.1 2,-0.3 -0.892 66.8-108.7-116.0 148.4 -12.7 -14.6 17.2 86 87 A K E +de 51 117A 74 -36,-1.7 -34,-3.0 -2,-0.3 2,-0.3 -0.556 45.8 177.9 -74.3 133.2 -16.1 -14.4 15.5 87 88 A V E +de 52 118A 0 30,-2.4 32,-2.0 -2,-0.3 33,-0.6 -0.988 15.9 166.7-141.4 146.1 -15.9 -12.5 12.3 88 89 A A E -d 53 0A 0 -36,-1.5 -34,-2.5 -2,-0.3 2,-0.3 -0.964 20.3-138.5-149.6 164.9 -18.1 -11.5 9.4 89 90 A A E +d 54 0A 0 31,-0.3 34,-2.7 -2,-0.3 2,-0.3 -0.940 16.3 176.9-129.0 148.2 -17.9 -9.0 6.5 90 91 A F E +df 55 123A 0 -36,-2.5 -34,-1.9 -2,-0.3 2,-0.3 -0.972 6.1 174.2-143.6 159.7 -20.3 -6.6 4.8 91 92 A A E - f 0 124A 0 32,-1.7 34,-1.7 -2,-0.3 2,-0.4 -0.994 25.9-133.4-161.6 154.8 -20.1 -4.0 2.0 92 93 A S E + f 0 125A 10 -2,-0.3 -34,-1.5 32,-0.2 34,-0.2 -0.923 44.2 132.0-109.9 143.2 -21.9 -1.6 -0.2 93 94 A G E - f 0 126A 18 32,-1.6 34,-0.6 -2,-0.4 2,-0.4 -0.827 50.0 -85.9-162.4-162.8 -21.2 -1.5 -3.9 94 95 A D > - 0 0 48 -2,-0.2 3,-1.2 5,-0.2 7,-0.1 -0.997 11.7-151.9-133.7 129.2 -22.7 -1.5 -7.4 95 96 A Q T 3 S+ 0 0 122 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 0.775 91.3 76.9 -64.8 -28.2 -23.8 -4.5 -9.5 96 97 A E T 3 S+ 0 0 160 3,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.479 84.1 81.1 -68.2 1.1 -23.1 -2.5 -12.7 97 98 A Y S < S- 0 0 122 -3,-1.2 3,-0.3 1,-0.1 -4,-0.0 -0.711 89.7-118.3-103.5 159.0 -19.4 -3.2 -12.1 98 99 A E S S+ 0 0 177 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.843 105.7 44.1 -65.5 -32.5 -17.5 -6.4 -13.0 99 100 A H S > S- 0 0 138 -5,-0.1 3,-0.7 -3,-0.0 2,-0.6 -0.808 77.0-159.4-122.1 92.0 -16.6 -7.1 -9.4 100 101 A F T 3 S- 0 0 38 -2,-0.6 -5,-0.1 -3,-0.3 -7,-0.1 -0.574 72.6 -26.7 -77.0 111.8 -19.4 -6.6 -6.9 101 102 A C T > S+ 0 0 0 -2,-0.6 3,-1.6 -7,-0.1 -1,-0.3 0.895 74.6 171.4 52.1 52.3 -18.2 -6.2 -3.4 102 103 A G T <> + 0 0 37 -3,-0.7 4,-1.2 1,-0.3 -1,-0.1 0.599 66.9 69.9 -68.7 -12.4 -15.0 -8.1 -3.9 103 104 A A H 3> S+ 0 0 4 -47,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.662 85.8 69.7 -78.3 -16.3 -13.6 -7.1 -0.5 104 105 A V H <> S+ 0 0 1 -3,-1.6 4,-2.0 2,-0.2 5,-0.2 0.983 103.1 40.0 -65.5 -56.9 -16.2 -9.3 1.3 105 106 A P H > S+ 0 0 38 0, 0.0 4,-2.7 0, 0.0 -2,-0.2 0.911 114.8 54.8 -56.8 -43.2 -14.7 -12.6 0.2 106 107 A A H X S+ 0 0 23 -4,-1.2 4,-2.8 2,-0.2 5,-0.2 0.903 107.7 47.5 -57.6 -47.7 -11.2 -11.3 0.8 107 108 A I H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.920 113.9 47.6 -60.7 -45.7 -11.8 -10.3 4.4 108 109 A E H X S+ 0 0 37 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.898 112.5 50.9 -59.6 -44.0 -13.4 -13.7 5.1 109 110 A E H X S+ 0 0 112 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.936 115.4 40.3 -59.6 -50.9 -10.5 -15.4 3.4 110 111 A R H X S+ 0 0 106 -4,-2.8 4,-1.3 2,-0.2 6,-0.2 0.955 114.6 49.4 -67.6 -53.1 -7.9 -13.6 5.4 111 112 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 3,-0.7 0.904 112.0 51.0 -53.1 -42.9 -9.6 -13.6 8.8 112 113 A K H ><5S+ 0 0 127 -4,-2.0 3,-1.6 -5,-0.3 -1,-0.2 0.902 106.3 54.3 -61.9 -42.3 -10.2 -17.3 8.3 113 114 A E H 3<5S+ 0 0 134 -4,-1.8 -1,-0.3 1,-0.3 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