==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-MAY-95 1DAE . COMPND 2 MOLECULE: DETHIOBIOTIN SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.HUANG,J.JIA,G.SCHNEIDER,Y.LINDQVIST . 219 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.7 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 23 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 1 0 0 0 2 1 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 1 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 1 A S 0 0 81 0, 0.0 2,-0.3 0, 0.0 110,-0.2 0.000 360.0 360.0 360.0 145.4 13.1 40.8 26.1 2 2 A K E -a 111 0A 89 108,-2.3 110,-2.6 2,-0.0 2,-0.4 -0.673 360.0-171.2 -80.0 141.0 13.7 39.8 22.5 3 3 A R E +a 112 0A 53 -2,-0.3 2,-0.3 108,-0.2 110,-0.2 -0.995 10.0 179.8-139.6 136.3 10.5 38.6 21.0 4 4 A Y E -a 113 0A 14 108,-2.0 110,-3.0 -2,-0.4 2,-0.4 -0.998 18.4-144.4-135.7 143.8 9.9 36.9 17.6 5 5 A F E -ab 114 141A 5 135,-3.0 137,-2.8 -2,-0.3 2,-0.5 -0.884 16.5-151.6-103.9 136.2 6.7 35.6 16.0 6 6 A V E +ab 115 142A 0 108,-2.9 110,-1.9 -2,-0.4 2,-0.3 -0.922 21.3 166.3-109.8 127.3 7.1 32.5 13.8 7 7 A T E - b 0 143A 1 135,-2.3 137,-2.6 -2,-0.5 2,-0.3 -0.793 20.2-140.2-127.4 173.1 4.8 31.8 10.9 8 8 A G E - b 0 144A 1 110,-0.5 112,-0.4 -2,-0.3 137,-0.2 -0.873 22.8-118.5-131.7 165.8 4.9 29.4 7.9 9 9 A T S S- 0 0 16 135,-1.6 2,-0.3 -2,-0.3 110,-0.1 0.707 97.2 -5.6 -75.4 -19.0 4.1 29.3 4.2 10 10 A D S > S- 0 0 70 108,-0.1 3,-0.6 1,-0.1 -1,-0.1 -0.942 85.8 -87.0-163.0 171.9 1.5 26.6 4.6 11 11 A T T 3 S+ 0 0 114 -2,-0.3 2,-0.6 1,-0.2 3,-0.3 0.865 116.4 39.1 -66.5 -38.3 0.1 24.3 7.4 12 12 A E T 3 S+ 0 0 181 1,-0.2 -1,-0.2 2,-0.1 165,-0.0 -0.488 74.1 117.2-111.7 62.4 2.5 21.2 7.2 13 13 A V S < S- 0 0 0 -3,-0.6 -1,-0.2 -2,-0.6 134,-0.1 0.370 89.9-102.4-104.2 8.3 5.8 22.9 6.6 14 14 A G > + 0 0 27 -3,-0.3 4,-1.8 132,-0.1 3,-0.4 0.842 62.3 160.4 77.5 35.2 7.5 21.7 9.9 15 15 A K H > S+ 0 0 21 -4,-0.3 4,-2.3 1,-0.2 5,-0.2 0.912 72.2 51.0 -59.7 -38.9 7.1 25.2 11.6 16 16 A T H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.858 104.7 58.1 -73.1 -26.9 7.5 23.7 15.1 17 17 A V H > S+ 0 0 65 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.942 109.9 43.9 -60.4 -48.0 10.8 21.9 14.0 18 18 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.891 111.5 53.9 -65.3 -39.2 12.2 25.3 13.0 19 19 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.927 110.0 47.6 -62.4 -42.1 10.9 26.9 16.3 20 20 A C H X S+ 0 0 13 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.914 110.8 51.2 -66.5 -36.9 12.7 24.1 18.4 21 21 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.937 111.7 48.6 -65.1 -39.2 15.9 24.7 16.3 22 22 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.915 112.0 47.9 -66.1 -41.5 15.6 28.5 17.1 23 23 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.914 110.6 52.4 -67.4 -39.9 15.0 27.8 20.8 24 24 A Q H X S+ 0 0 44 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.935 111.1 45.5 -62.6 -44.2 18.0 25.4 20.9 25 25 A A H X S+ 0 0 13 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.891 112.4 51.1 -67.0 -35.2 20.4 28.0 19.3 26 26 A A H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 4,-0.3 0.905 109.8 50.3 -71.0 -36.2 19.2 30.8 21.6 27 27 A K H ><5S+ 0 0 126 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.944 109.3 51.9 -63.1 -46.4 19.7 28.6 24.6 28 28 A A H 3<5S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.849 103.9 57.2 -65.2 -29.0 23.2 27.8 23.3 29 29 A A T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.543 126.2-100.5 -76.9 -2.8 23.9 31.6 23.0 30 30 A G T < 5S+ 0 0 65 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.549 72.7 144.2 101.0 5.3 23.1 32.0 26.8 31 31 A Y < - 0 0 66 -5,-2.3 2,-0.8 1,-0.0 -1,-0.3 -0.451 55.6-125.9 -75.8 150.3 19.5 33.3 26.7 32 32 A R - 0 0 123 -2,-0.1 78,-2.1 31,-0.1 79,-1.6 -0.908 48.1-158.3 -88.0 107.5 16.8 32.3 29.3 33 33 A T E -c 111 0A 0 -2,-0.8 31,-1.5 76,-0.2 30,-0.4 -0.643 25.0-177.3-104.5 155.0 14.3 31.1 26.7 34 34 A A E -c 112 0A 0 77,-1.7 79,-2.4 -2,-0.2 2,-0.4 -0.994 14.2-149.7-146.6 134.5 10.5 30.6 26.5 35 35 A G E -c 113 0A 0 -2,-0.4 2,-0.4 23,-0.2 79,-0.2 -0.844 16.2-169.4 -98.8 142.6 8.3 29.2 23.8 36 36 A Y E +c 114 0A 0 77,-2.3 79,-3.1 -2,-0.4 36,-0.2 -0.990 17.5 174.9-137.2 123.3 4.7 30.5 23.6 37 37 A K - 0 0 10 34,-2.6 37,-0.3 -2,-0.4 79,-0.1 -0.846 9.9-174.0-125.2 91.8 1.9 29.1 21.4 38 38 A P S S+ 0 0 0 0, 0.0 36,-2.0 0, 0.0 2,-0.4 0.891 70.6 29.6 -59.2 -38.6 -1.2 31.1 22.4 39 39 A V E +f 74 0B 0 76,-0.4 2,-0.3 34,-0.1 36,-0.2 -0.971 66.6 167.2-129.3 134.6 -3.7 29.1 20.4 40 40 A A E -f 75 0B 1 34,-1.8 36,-2.4 -2,-0.4 2,-0.4 -0.997 9.9-173.4-142.9 141.9 -3.6 25.4 19.4 41 41 A S E +f 76 0B 29 -2,-0.3 36,-0.2 34,-0.2 37,-0.1 -0.992 60.5 61.0-135.7 146.4 -6.1 23.0 17.9 42 42 A G S S+ 0 0 23 34,-1.5 11,-0.4 -2,-0.4 2,-0.3 0.798 71.6 162.6 99.0 80.0 -5.7 19.3 17.4 43 43 A S - 0 0 11 34,-1.7 2,-0.3 9,-0.2 9,-0.2 -0.890 34.1-128.3-135.4 156.8 -5.1 18.0 20.9 44 44 A E E -G 51 0C 138 7,-2.7 7,-2.2 -2,-0.3 2,-0.2 -0.783 26.5-115.6-104.9 149.5 -5.1 14.8 23.0 45 45 A K E +G 50 0C 180 -2,-0.3 5,-0.2 5,-0.2 -1,-0.0 -0.576 39.2 166.4 -79.3 139.4 -6.9 14.1 26.2 46 46 A T E > -G 49 0C 56 3,-0.8 3,-1.5 -2,-0.2 0, 0.0 -0.903 54.8 -90.9-135.1 176.7 -4.8 13.4 29.3 47 47 A P T 3 S+ 0 0 141 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.782 128.1 49.1 -58.6 -22.8 -5.6 13.2 33.1 48 48 A E T 3 S- 0 0 156 1,-0.4 2,-0.3 3,-0.0 -3,-0.0 0.514 123.6 -89.5-100.4 0.2 -4.7 16.9 33.2 49 49 A G E < S-G 46 0C 33 -3,-1.5 -3,-0.8 2,-0.0 -1,-0.4 -0.791 72.7 -21.6 120.2-171.0 -6.8 18.2 30.3 50 50 A L E -G 45 0C 56 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.531 57.4-168.0 -76.2 142.9 -6.1 18.5 26.5 51 51 A R E -G 44 0C 52 -7,-2.2 -7,-2.7 -2,-0.2 2,-0.4 -0.999 11.3-149.2-134.5 129.1 -2.5 18.7 25.4 52 52 A N > - 0 0 6 -2,-0.4 4,-2.2 -9,-0.2 5,-0.2 -0.842 14.3-138.8 -96.2 136.3 -1.3 19.7 21.9 53 53 A S H > S+ 0 0 80 -2,-0.4 4,-1.9 -11,-0.4 -1,-0.1 0.837 100.3 54.0 -67.4 -33.9 2.0 18.0 20.8 54 54 A D H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.955 110.1 47.6 -63.1 -44.4 3.5 21.2 19.2 55 55 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.921 109.6 54.0 -63.6 -40.6 3.0 23.2 22.4 56 56 A L H X S+ 0 0 44 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.871 107.0 51.6 -57.8 -37.2 4.6 20.2 24.3 57 57 A A H X S+ 0 0 16 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.906 111.0 47.1 -65.5 -40.0 7.6 20.5 22.0 58 58 A L H X S+ 0 0 0 -4,-1.9 4,-0.9 2,-0.2 3,-0.3 0.928 111.5 52.0 -68.2 -42.2 7.9 24.2 22.7 59 59 A Q H >< S+ 0 0 52 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.956 112.3 44.1 -61.0 -51.5 7.6 23.5 26.4 60 60 A R H 3< S+ 0 0 171 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.682 113.4 51.3 -71.9 -14.8 10.4 20.9 26.4 61 61 A N H 3< S+ 0 0 35 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.549 87.1 99.8 -96.8 -4.2 12.7 23.0 24.3 62 62 A S S << S- 0 0 12 -3,-1.1 -28,-0.2 -4,-0.9 4,-0.1 -0.515 71.7-139.2 -70.0 143.0 12.4 26.2 26.5 63 63 A S S S+ 0 0 48 -30,-0.4 2,-0.2 -2,-0.1 -29,-0.1 0.779 86.5 72.2 -81.0 -21.0 15.4 26.6 28.9 64 64 A L S S- 0 0 40 -31,-1.5 2,-0.6 1,-0.0 -2,-0.1 -0.623 94.6-115.3 -84.0 149.0 13.0 27.6 31.8 65 65 A Q - 0 0 199 -2,-0.2 2,-0.4 -31,-0.0 -2,-0.1 -0.761 48.9-178.8 -74.3 120.1 10.8 24.9 33.4 66 66 A L - 0 0 14 -2,-0.6 2,-0.2 -7,-0.2 -4,-0.1 -0.946 28.3-116.2-125.2 151.5 7.3 26.2 32.4 67 67 A D >> - 0 0 121 -2,-0.4 4,-1.3 1,-0.1 3,-0.9 -0.562 30.8-117.1 -76.7 151.1 3.8 24.9 33.1 68 68 A Y H >> S+ 0 0 14 1,-0.3 4,-2.8 2,-0.2 3,-0.7 0.882 111.6 52.9 -56.0 -49.2 1.8 23.8 30.1 69 69 A A H 34 S+ 0 0 69 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.755 105.3 56.9 -64.8 -22.9 -1.0 26.5 30.4 70 70 A T H <4 S+ 0 0 41 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.873 112.8 41.4 -68.2 -37.9 1.7 29.2 30.5 71 71 A V H << S+ 0 0 0 -4,-1.3 -34,-2.6 -3,-0.7 -2,-0.2 0.880 132.8 19.2 -77.1 -39.7 2.9 27.9 27.2 72 72 A N < + 0 0 1 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.781 60.3 173.0-141.4 91.8 -0.5 27.3 25.7 73 73 A P S S+ 0 0 48 0, 0.0 2,-0.6 0, 0.0 -34,-0.1 0.863 74.5 49.7 -63.5 -39.6 -3.5 29.1 27.2 74 74 A Y E +f 39 0B 19 -36,-2.0 -34,-1.8 -37,-0.3 2,-0.5 -0.900 66.6 172.8-111.1 113.1 -6.1 28.1 24.5 75 75 A T E -f 40 0B 30 -2,-0.6 2,-0.4 -36,-0.2 -34,-0.2 -0.965 6.1-175.2-123.7 120.8 -6.2 24.4 23.7 76 76 A F E -f 41 0B 0 -36,-2.4 -34,-1.5 -2,-0.5 -33,-0.1 -0.892 21.0-143.6-118.0 147.3 -8.9 22.9 21.4 77 77 A A S S+ 0 0 46 -2,-0.4 -34,-1.7 -35,-0.2 -1,-0.1 0.937 78.0 74.1 -73.5 -46.2 -9.3 19.2 20.6 78 78 A E S S- 0 0 91 -36,-0.2 2,-2.0 -37,-0.1 -36,-0.1 -0.540 79.6-131.0 -76.6 129.9 -10.4 19.3 17.0 79 79 A P + 0 0 108 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.420 68.7 105.3 -75.6 67.2 -7.7 20.1 14.4 80 80 A T S S- 0 0 40 -2,-2.0 -4,-0.1 1,-0.1 0, 0.0 -0.694 84.4 -51.0-128.3-171.2 -9.6 22.8 12.4 81 81 A S >> - 0 0 35 -2,-0.2 4,-1.6 1,-0.1 3,-1.2 -0.479 52.6-127.6 -63.8 132.3 -9.4 26.6 12.2 82 82 A P H 3> S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.826 106.1 59.6 -54.3 -34.2 -9.4 28.1 15.7 83 83 A H H 3> S+ 0 0 46 40,-1.3 4,-1.6 1,-0.2 5,-0.2 0.864 105.3 49.2 -70.2 -27.5 -12.3 30.4 14.9 84 84 A I H <> S+ 0 0 81 -3,-1.2 4,-2.4 39,-0.2 -1,-0.2 0.975 117.4 38.2 -70.1 -53.9 -14.7 27.5 14.0 85 85 A I H X S+ 0 0 8 -4,-1.6 4,-2.6 1,-0.2 6,-0.2 0.890 111.9 58.1 -71.4 -32.6 -14.0 25.4 17.1 86 86 A S H X>S+ 0 0 9 -4,-2.6 5,-1.9 -5,-0.2 4,-1.3 0.965 110.6 43.9 -57.2 -48.2 -13.9 28.4 19.4 87 87 A A H ><5S+ 0 0 80 -4,-1.6 3,-0.6 -5,-0.2 -2,-0.2 0.942 113.5 51.6 -65.8 -40.0 -17.5 29.3 18.3 88 88 A Q H 3<5S+ 0 0 146 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.895 114.6 40.9 -62.2 -45.6 -18.6 25.7 18.6 89 89 A E H 3<5S- 0 0 89 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.620 107.7-122.1 -79.6 -13.8 -17.3 25.3 22.1 90 90 A G T <<5S+ 0 0 65 -4,-1.3 -3,-0.2 -3,-0.6 -4,-0.1 0.813 71.0 127.1 76.4 30.9 -18.5 28.7 23.3 91 91 A R < - 0 0 143 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.834 50.0-148.3-125.5 97.4 -14.9 29.8 24.3 92 92 A P - 0 0 98 0, 0.0 2,-0.8 0, 0.0 33,-0.1 -0.293 13.9-128.6 -60.1 140.5 -13.9 33.2 22.8 93 93 A I - 0 0 11 31,-0.4 2,-0.5 -10,-0.0 3,-0.1 -0.847 30.8-154.3 -94.2 112.0 -10.3 33.7 22.0 94 94 A E > - 0 0 91 -2,-0.8 4,-2.3 1,-0.1 3,-0.2 -0.762 19.6-149.7 -96.0 127.4 -9.5 37.0 23.7 95 95 A S H > S+ 0 0 13 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.899 100.7 56.8 -55.8 -40.0 -6.7 39.3 22.5 96 96 A L H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 107.9 46.8 -62.3 -37.9 -6.2 40.5 26.1 97 97 A V H > S+ 0 0 63 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 111.9 50.7 -69.4 -42.8 -5.6 37.0 27.4 98 98 A M H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.951 114.9 43.5 -58.9 -45.3 -3.1 36.3 24.5 99 99 A S H X S+ 0 0 11 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.881 110.8 54.2 -68.7 -36.7 -1.2 39.5 25.3 100 100 A A H X S+ 0 0 58 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.948 106.6 53.6 -61.8 -40.6 -1.3 38.9 29.1 101 101 A G H X S+ 0 0 15 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.895 107.0 50.7 -62.8 -39.6 0.2 35.5 28.5 102 102 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.943 110.3 49.7 -64.0 -45.1 3.1 37.0 26.6 103 103 A R H X S+ 0 0 92 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.873 106.0 56.2 -58.0 -40.6 3.8 39.6 29.4 104 104 A A H >< S+ 0 0 35 -4,-2.4 3,-0.8 1,-0.2 4,-0.3 0.909 108.0 48.7 -64.0 -38.4 3.8 36.8 32.0 105 105 A L H >X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 3,-2.4 0.922 103.8 59.3 -67.2 -41.2 6.6 35.0 30.0 106 106 A E H 3< S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.677 92.2 71.5 -62.6 -12.8 8.6 38.2 29.7 107 107 A Q T << S+ 0 0 159 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.752 118.5 14.3 -70.3 -22.4 8.7 38.3 33.5 108 108 A Q T <4 S+ 0 0 76 -3,-2.4 2,-0.4 -4,-0.3 -2,-0.2 0.556 118.1 63.5-129.1 -17.9 11.1 35.3 33.4 109 109 A A < - 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0 0 16 -3,-1.9 2,-0.9 -4,-0.3 -14,-0.2 -0.870 64.7-154.2-105.1 132.6 20.6 28.2 12.8 216 220 A N > - 0 0 79 -16,-3.0 3,-1.9 -2,-0.5 4,-0.2 -0.785 12.8-178.2-100.2 94.8 22.9 31.2 12.6 217 221 A L G > S+ 0 0 31 -2,-0.9 3,-1.8 1,-0.3 -1,-0.2 0.715 72.0 80.4 -67.6 -18.4 21.5 33.4 15.5 218 222 A A G 3 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.589 87.4 58.7 -63.2 -10.6 24.1 36.1 14.6 219 223 A L G < 0 0 79 -3,-1.9 -1,-0.3 -19,-0.1 -2,-0.2 0.482 360.0 360.0 -97.6 -2.5 21.8 37.2 11.7 220 224 A L < 0 0 67 -3,-1.8 -49,-0.1 -4,-0.2 -50,-0.0 -0.661 360.0 360.0 -93.3 360.0 18.8 37.9 14.0