==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 01-MAR-11 3QXC . COMPND 2 MOLECULE: DETHIOBIOTIN SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR P.J.POREBSKI,M.M.KLIMECKA,M.CHRUSZCZ,K.MURZYN,A.JOACHIMIAK,W . 224 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 0 0 2 1 3 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 3 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 PARALLEL BRIDGES PER LADDER . 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 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 -3 A F 0 0 196 0, 0.0 3,-0.1 0, 0.0 223,-0.0 0.000 360.0 360.0 360.0 177.7 22.0 -3.9 -5.9 2 -2 A Q - 0 0 126 1,-0.2 110,-0.2 222,-0.1 109,-0.1 -0.115 360.0 -54.9 -74.3 178.9 19.8 -6.8 -4.9 3 -1 A G - 0 0 17 108,-2.5 113,-0.2 111,-0.2 -1,-0.2 -0.259 59.4-113.5 -58.3 150.4 20.0 -10.1 -6.9 4 0 A H E -a 116 0A 29 111,-2.3 113,-2.5 -3,-0.1 2,-0.4 -0.409 25.3-141.0 -76.5 161.5 19.5 -10.0 -10.6 5 1 A M E -a 117 0A 13 111,-0.2 140,-2.4 138,-0.2 2,-0.5 -0.998 13.3-170.6-134.8 132.2 16.5 -11.7 -12.3 6 2 A L E -ab 118 145A 1 111,-2.6 113,-2.8 -2,-0.4 2,-0.4 -0.988 10.4-152.0-125.4 120.9 16.5 -13.6 -15.5 7 3 A F E -ab 119 146A 0 138,-3.2 140,-2.9 -2,-0.5 2,-0.6 -0.762 8.6-151.8 -87.6 137.8 13.3 -14.8 -17.2 8 4 A I E +ab 120 147A 0 111,-3.0 113,-2.7 -2,-0.4 140,-0.2 -0.957 25.6 159.2-116.7 114.5 13.5 -17.9 -19.3 9 5 A S E - b 0 148A 3 138,-2.3 140,-2.8 -2,-0.6 2,-0.3 -0.549 20.3-146.5-118.6-175.9 11.0 -18.2 -22.2 10 6 A A E - b 0 149A 2 138,-0.3 115,-0.5 -2,-0.2 140,-0.2 -0.985 29.8-116.3-152.4 160.4 11.1 -20.3 -25.4 11 7 A T S S- 0 0 23 138,-2.3 2,-0.3 -2,-0.3 139,-0.1 0.757 101.5 -4.2 -65.1 -28.7 10.1 -20.5 -29.0 12 8 A N S > S- 0 0 54 137,-0.4 3,-1.8 112,-0.0 4,-0.2 -0.984 85.9 -82.4-162.6 150.9 7.8 -23.4 -28.1 13 9 A T T 3 S+ 0 0 99 110,-0.3 109,-0.0 -2,-0.3 -2,-0.0 -0.389 118.4 24.4 -56.5 139.3 6.7 -25.6 -25.3 14 10 A N T 3 S+ 0 0 149 1,-0.1 -1,-0.3 -2,-0.0 -3,-0.0 0.455 83.4 123.9 81.3 8.3 9.2 -28.4 -24.8 15 11 A A S < S- 0 0 1 -3,-1.8 164,-0.1 134,-0.1 -2,-0.1 0.771 90.9 -87.0 -69.4 -29.6 12.1 -26.3 -26.5 16 12 A G S > S+ 0 0 8 -4,-0.2 4,-2.6 133,-0.1 5,-0.3 0.579 77.7 140.9 130.6 23.9 14.3 -26.8 -23.4 17 13 A K H > S+ 0 0 12 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.921 81.9 41.9 -55.0 -53.0 13.6 -24.0 -20.8 18 14 A T H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.910 115.3 49.6 -67.8 -41.9 13.8 -26.3 -17.8 19 15 A T H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.940 117.2 41.0 -57.3 -49.3 16.9 -28.2 -19.0 20 16 A C H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.900 113.0 53.4 -73.6 -37.2 18.8 -25.0 -19.8 21 17 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 5,-0.2 0.919 110.8 47.3 -59.2 -46.6 17.6 -23.2 -16.7 22 18 A R H X S+ 0 0 71 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.906 113.1 48.5 -65.0 -42.0 18.9 -26.1 -14.5 23 19 A L H X S+ 0 0 67 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.927 113.8 46.9 -65.7 -40.5 22.2 -26.2 -16.4 24 20 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.933 112.9 47.6 -69.8 -42.1 22.7 -22.4 -16.1 25 21 A A H X S+ 0 0 3 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.886 111.3 52.5 -65.1 -36.8 21.8 -22.4 -12.4 26 22 A Q H X S+ 0 0 136 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.944 112.5 45.3 -61.4 -45.6 24.2 -25.3 -11.8 27 23 A Y H X S+ 0 0 65 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.942 113.7 48.3 -62.5 -49.1 27.0 -23.4 -13.5 28 24 A C H ><>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 3,-0.7 0.950 111.8 49.1 -60.8 -47.9 26.3 -20.2 -11.7 29 25 A N H ><5S+ 0 0 55 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.875 108.8 53.7 -59.4 -37.2 26.1 -22.0 -8.3 30 26 A A H 3<5S+ 0 0 88 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.785 107.4 52.3 -70.3 -21.6 29.5 -23.7 -9.1 31 27 A C T <<5S- 0 0 66 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.304 125.7-102.5 -90.2 3.4 31.0 -20.3 -9.8 32 28 A G T < 5S+ 0 0 62 -3,-1.5 2,-0.8 1,-0.2 -3,-0.2 0.625 81.8 131.7 83.0 10.7 29.8 -18.9 -6.4 33 29 A V < - 0 0 21 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.892 58.6-134.4 -98.1 105.8 26.8 -17.0 -7.8 34 30 A K - 0 0 79 -2,-0.8 82,-2.0 -3,-0.1 81,-1.5 -0.500 33.5-177.5 -71.0 116.1 24.0 -18.1 -5.5 35 31 A T E -c 116 0A 1 -2,-0.4 2,-0.3 -10,-0.2 82,-0.2 -0.961 18.2-164.6-131.5 131.1 21.1 -18.9 -7.9 36 32 A I E -c 117 0A 0 80,-2.0 82,-3.1 -2,-0.4 2,-0.5 -0.875 14.0-141.6-111.1 149.4 17.4 -20.0 -7.3 37 33 A L E -c 118 0A 1 -2,-0.3 2,-0.3 21,-0.2 82,-0.2 -0.940 20.8-174.5-111.2 128.6 15.1 -21.5 -9.9 38 34 A L E -c 119 0A 0 80,-2.9 82,-2.8 -2,-0.5 37,-0.2 -0.905 20.4-172.0-126.6 144.9 11.4 -20.5 -9.8 39 35 A K + 0 0 9 35,-2.2 37,-0.2 -2,-0.3 82,-0.1 -0.746 12.9 176.4-131.0 78.6 8.4 -21.7 -11.9 40 36 A P + 0 0 1 0, 0.0 37,-2.1 0, 0.0 36,-2.0 0.820 69.3 31.0 -64.2 -33.0 5.7 -19.3 -10.9 41 37 A I E +f 77 0B 1 79,-0.4 2,-0.4 35,-0.2 37,-0.2 -0.990 69.2 173.1-129.0 126.9 3.0 -20.6 -13.2 42 38 A E E -f 78 0B 12 35,-2.6 37,-2.1 -2,-0.4 3,-0.2 -0.983 7.9-171.5-139.8 129.8 2.8 -24.2 -14.3 43 39 A T + 0 0 33 -2,-0.4 39,-0.2 35,-0.2 37,-0.2 -0.566 64.9 42.9-109.4 169.0 0.1 -26.1 -16.3 44 40 A G S S+ 0 0 39 37,-1.9 2,-0.3 1,-0.2 36,-0.2 0.786 83.8 130.7 70.1 27.4 -0.3 -29.8 -17.0 45 41 A V - 0 0 14 34,-2.6 2,-0.3 -3,-0.2 -1,-0.2 -0.816 41.3-172.7-119.5 153.8 0.5 -30.9 -13.5 46 42 A N >> - 0 0 61 -2,-0.3 4,-1.8 4,-0.1 3,-1.4 -0.748 8.3-179.1-141.2 93.4 -1.0 -33.2 -10.9 47 43 A D T 34 S+ 0 0 48 1,-0.3 -1,-0.1 -2,-0.3 33,-0.0 0.591 75.5 67.5 -72.3 -15.6 0.9 -32.8 -7.7 48 44 A A T 34 S+ 0 0 88 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.710 121.1 16.0 -72.3 -27.3 -1.2 -35.4 -5.8 49 45 A I T <4 S+ 0 0 133 -3,-1.4 2,-0.4 1,-0.2 -2,-0.2 0.497 121.2 56.0-124.7 -14.4 0.3 -38.2 -8.0 50 46 A N < - 0 0 74 -4,-1.8 3,-0.2 1,-0.0 -1,-0.2 -0.996 41.7-179.8-136.3 125.1 3.4 -36.8 -9.8 51 47 A H + 0 0 120 -2,-0.4 -4,-0.1 1,-0.1 -1,-0.0 -0.184 67.7 86.9-113.6 41.4 6.5 -35.3 -8.3 52 48 A S + 0 0 77 4,-0.1 -1,-0.1 5,-0.0 5,-0.1 0.322 54.2 123.8-125.8 5.0 8.3 -34.6 -11.6 53 49 A S S > S- 0 0 9 -3,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.034 78.7 -98.9 -62.6 170.7 6.9 -31.2 -12.7 54 50 A D H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.921 126.6 52.5 -58.6 -42.8 9.3 -28.3 -13.4 55 51 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 108.1 51.1 -62.8 -36.9 8.7 -26.9 -10.0 56 52 A H H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 111.5 47.1 -65.5 -40.5 9.6 -30.3 -8.5 57 53 A L H X S+ 0 0 42 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.928 113.3 48.5 -66.2 -43.3 12.8 -30.5 -10.4 58 54 A F H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 -21,-0.2 0.915 109.0 54.5 -59.0 -46.0 13.6 -26.9 -9.5 59 55 A L H X S+ 0 0 26 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.919 105.2 52.3 -58.8 -43.5 12.9 -27.7 -5.9 60 56 A Q H X S+ 0 0 109 -4,-2.1 4,-0.5 1,-0.2 3,-0.3 0.966 114.5 42.7 -58.8 -49.0 15.3 -30.6 -5.8 61 57 A D H >< S+ 0 0 41 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.933 114.1 51.8 -62.4 -43.8 18.1 -28.4 -7.1 62 58 A N H >X S+ 0 0 2 -4,-3.0 3,-2.1 1,-0.3 4,-1.3 0.789 95.5 67.3 -63.4 -30.9 17.1 -25.5 -4.9 63 59 A R H 3< S+ 0 0 81 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.650 83.7 75.0 -71.7 -10.2 17.2 -27.6 -1.7 64 60 A L T << S+ 0 0 140 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.651 110.1 30.7 -66.5 -16.3 21.0 -27.9 -2.2 65 61 A L T <4 S+ 0 0 72 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.612 136.5 19.5-112.1 -26.3 21.0 -24.2 -1.0 66 62 A D >< - 0 0 56 -4,-1.3 3,-1.4 1,-0.1 -1,-0.2 -0.809 54.4-168.9-153.9 99.6 18.0 -24.2 1.4 67 63 A R T 3 S+ 0 0 157 -2,-0.3 -4,-0.1 1,-0.2 -1,-0.1 0.748 85.6 67.6 -60.9 -23.5 16.5 -27.3 2.8 68 64 A S T 3 S+ 0 0 85 -5,-0.0 -1,-0.2 2,-0.0 -5,-0.1 0.614 74.2 112.3 -76.7 -16.3 13.4 -25.4 4.1 69 65 A L < - 0 0 8 -3,-1.4 2,-0.3 -7,-0.1 -3,-0.0 -0.336 44.6-174.6 -61.2 143.7 12.1 -24.7 0.6 70 66 A T >> - 0 0 52 1,-0.0 3,-1.8 -2,-0.0 4,-0.5 -0.834 41.2 -95.9-128.8 170.0 8.9 -26.4 -0.4 71 67 A L H >> S+ 0 0 30 1,-0.3 3,-1.8 -2,-0.3 4,-1.3 0.891 120.7 57.4 -55.9 -45.3 7.0 -26.5 -3.7 72 68 A K H 34 S+ 0 0 144 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.661 97.8 63.1 -67.3 -11.8 4.6 -23.6 -2.7 73 69 A D H <4 S+ 0 0 52 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.681 115.8 27.9 -78.6 -19.0 7.6 -21.3 -2.1 74 70 A I H << S+ 0 0 0 -3,-1.8 -35,-2.2 -4,-0.5 2,-0.3 0.421 121.4 45.5-126.2 -3.1 8.7 -21.5 -5.8 75 71 A S < + 0 0 4 -4,-1.3 -1,-0.3 -37,-0.2 -34,-0.2 -0.975 52.9 170.1-147.3 132.0 5.5 -22.1 -7.7 76 72 A F + 0 0 41 -36,-2.0 2,-0.5 -2,-0.3 -35,-0.2 0.663 64.6 43.2-120.9 -32.9 2.2 -20.3 -7.2 77 73 A Y E +f 41 0B 38 -37,-2.1 -35,-2.6 2,-0.0 2,-0.4 -0.962 67.4 173.0-125.7 113.3 -0.4 -20.9 -9.8 78 74 A R E -f 42 0B 49 -2,-0.5 2,-0.3 -37,-0.2 -35,-0.2 -0.985 4.7-178.2-132.4 132.5 -0.7 -24.6 -10.8 79 75 A Y - 0 0 6 -37,-2.1 -34,-2.6 -2,-0.4 10,-0.1 -0.928 31.5-142.8-137.6 146.2 -3.2 -26.3 -13.0 80 76 A H S S+ 0 0 110 -2,-0.3 -1,-0.1 -36,-0.2 -37,-0.1 0.863 75.4 95.5 -71.0 -38.1 -4.1 -29.7 -14.4 81 77 A K S S- 0 0 73 -37,-0.1 -37,-1.9 1,-0.1 2,-1.3 -0.241 73.5-135.8 -62.9 140.9 -5.1 -28.5 -17.9 82 78 A V S S+ 0 0 131 -39,-0.2 2,-0.3 -38,-0.1 -1,-0.1 -0.666 72.3 89.7 -94.3 86.4 -2.4 -28.7 -20.6 83 79 A S S S- 0 0 32 -2,-1.3 -40,-0.1 1,-0.0 40,-0.0 -0.883 87.6 -48.5-161.2 178.3 -3.2 -25.3 -22.0 84 80 A A > - 0 0 28 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.355 58.2-115.7 -59.2 144.9 -2.4 -21.5 -21.8 85 81 A P H > S+ 0 0 1 0, 0.0 4,-3.0 0, 0.0 44,-0.2 0.884 111.3 59.5 -57.3 -36.4 -2.5 -20.4 -18.2 86 82 A L H > S+ 0 0 15 42,-2.3 4,-2.6 1,-0.2 5,-0.2 0.906 109.3 41.7 -60.0 -47.8 -5.4 -18.1 -18.7 87 83 A I H > S+ 0 0 66 -3,-0.4 4,-2.1 41,-0.3 5,-0.2 0.895 113.4 52.1 -70.9 -36.1 -7.7 -20.8 -19.9 88 84 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.951 112.6 47.0 -62.1 -44.8 -6.6 -23.3 -17.3 89 85 A Q H X S+ 0 0 7 -4,-3.0 4,-2.8 1,-0.2 7,-0.3 0.937 111.2 50.6 -59.6 -50.0 -7.3 -20.5 -14.6 90 86 A Q H < S+ 0 0 92 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.824 118.8 38.4 -58.0 -38.9 -10.7 -19.7 -16.1 91 87 A E H < S+ 0 0 118 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.905 128.7 27.0 -80.9 -43.1 -11.7 -23.4 -16.1 92 88 A E H < S+ 0 0 74 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.698 135.9 20.7 -95.7 -27.5 -10.2 -24.7 -12.8 93 89 A D >< + 0 0 68 -4,-2.8 3,-2.3 -5,-0.4 -1,-0.2 -0.469 65.1 166.2-144.4 58.8 -10.1 -21.5 -10.6 94 90 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.743 76.3 51.4 -57.0 -28.4 -12.5 -19.1 -11.9 95 91 A N T 3 S+ 0 0 155 1,-0.2 -5,-0.1 -6,-0.1 -6,-0.0 0.415 103.0 62.6 -91.0 1.5 -12.5 -16.9 -8.9 96 92 A A < - 0 0 32 -3,-2.3 -1,-0.2 -7,-0.3 3,-0.1 -0.598 66.6-171.9-127.0 75.8 -8.7 -16.5 -8.7 97 93 A P - 0 0 79 0, 0.0 33,-0.1 0, 0.0 2,-0.1 -0.307 45.0 -89.1 -59.7 149.3 -7.2 -14.8 -11.8 98 94 A I - 0 0 6 31,-0.4 2,-0.7 1,-0.1 31,-0.0 -0.393 40.1-146.6 -64.5 131.2 -3.5 -14.8 -11.9 99 95 A D > - 0 0 73 1,-0.2 4,-2.3 -2,-0.1 5,-0.1 -0.878 17.5-177.6-106.4 100.7 -2.1 -11.8 -10.0 100 96 A T H > S+ 0 0 5 -2,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.723 82.4 60.0 -74.9 -22.6 1.1 -10.6 -11.6 101 97 A D H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 108.8 45.0 -65.3 -46.8 1.5 -7.8 -9.0 102 98 A N H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.943 112.7 50.0 -59.9 -48.7 1.6 -10.4 -6.4 103 99 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.880 107.4 55.3 -54.0 -42.6 4.0 -12.6 -8.4 104 100 A T H X S+ 0 0 24 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.915 109.7 46.5 -60.9 -45.8 6.3 -9.7 -9.0 105 101 A Q H X S+ 0 0 131 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.935 113.1 48.4 -61.6 -46.1 6.5 -9.1 -5.2 106 102 A R H X S+ 0 0 109 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.913 115.0 44.4 -61.1 -46.5 7.1 -12.8 -4.5 107 103 A L H >< S+ 0 0 0 -4,-2.7 3,-0.9 -5,-0.2 4,-0.4 0.937 112.1 51.5 -67.5 -42.5 9.8 -13.1 -7.1 108 104 A H H >< S+ 0 0 69 -4,-2.6 3,-1.7 -5,-0.3 4,-0.3 0.850 98.2 67.0 -64.9 -28.0 11.5 -9.9 -6.2 109 105 A N H >< S+ 0 0 84 -4,-2.1 3,-1.6 1,-0.3 4,-0.4 0.875 92.5 61.1 -60.9 -31.8 11.7 -11.0 -2.6 110 106 A F G XX S+ 0 0 30 -3,-0.9 4,-1.3 -4,-0.8 3,-0.6 0.692 86.8 74.5 -69.5 -16.9 14.1 -13.8 -3.6 111 107 A T G <4 S+ 0 0 8 -3,-1.7 -108,-2.5 -4,-0.4 -1,-0.3 0.652 87.7 63.4 -72.0 -9.1 16.6 -11.0 -4.8 112 108 A K G <4 S+ 0 0 138 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.895 115.2 27.6 -72.3 -38.1 17.3 -10.4 -1.1 113 109 A T T <4 S+ 0 0 77 -3,-0.6 2,-0.3 -4,-0.4 -2,-0.2 0.471 117.6 56.0-109.9 -5.3 18.7 -13.9 -0.6 114 110 A Y < - 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0 0 34 -4,-0.8 4,-0.0 -3,-0.3 0, 0.0 -0.837 61.7-149.2-120.2 143.1 22.9 -8.0 -35.8 203 199 A N S S+ 0 0 173 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.586 99.3 49.1 -81.0 -10.8 24.0 -6.2 -32.8 204 200 A N S S- 0 0 38 -29,-0.0 -1,-0.2 2,-0.0 -28,-0.1 -0.890 87.5-154.3-129.5 93.8 22.3 -8.9 -30.6 205 201 A P - 0 0 42 0, 0.0 2,-0.5 0, 0.0 -29,-0.4 -0.388 16.1-119.5 -77.1 156.6 23.5 -12.3 -31.9 206 202 A I - 0 0 3 -11,-0.3 2,-0.2 -31,-0.1 -29,-0.2 -0.750 39.7-166.3 -86.1 125.8 21.7 -15.7 -31.6 207 203 A V E -e 177 0A 26 -31,-2.4 -29,-2.9 -2,-0.5 2,-0.5 -0.620 25.2-110.5-109.2 171.8 24.0 -18.0 -29.6 208 204 A I E > -e 178 0A 9 -31,-0.3 3,-1.3 -2,-0.2 4,-0.3 -0.904 24.6-142.3-100.4 121.3 24.1 -21.7 -28.9 209 205 A F G > S+ 0 0 1 -31,-2.8 3,-2.3 -2,-0.5 -30,-0.2 0.910 98.7 55.0 -51.6 -46.8 23.2 -22.4 -25.3 210 206 A Q G 3 S+ 0 0 78 -32,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.693 111.8 45.0 -63.4 -25.0 25.7 -25.2 -24.8 211 207 A Q G < S+ 0 0 146 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.355 111.0 58.6 -84.9 -8.1 28.6 -22.9 -26.0 212 208 A S <> + 0 0 8 -3,-2.3 4,-2.7 -4,-0.3 5,-0.3 0.120 53.8 117.3-126.3 20.1 27.4 -20.0 -23.9 213 209 A L H > S+ 0 0 46 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.948 89.2 41.9 -59.2 -43.4 27.2 -20.8 -20.1 214 210 A K H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.948 116.0 48.2 -68.8 -44.7 29.8 -18.2 -19.2 215 211 A V H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 112.8 48.9 -59.9 -40.0 28.5 -15.6 -21.6 216 212 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.882 109.9 51.0 -75.9 -32.9 24.9 -16.1 -20.3 217 213 A M H X S+ 0 0 30 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.944 111.9 48.2 -62.5 -44.8 26.0 -15.8 -16.7 218 214 A S H X S+ 0 0 75 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.938 112.2 49.6 -58.1 -49.0 27.8 -12.6 -17.6 219 215 A F H >< S+ 0 0 14 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.935 110.5 49.2 -54.9 -47.9 24.6 -11.4 -19.4 220 216 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 118.8 38.4 -64.6 -35.6 22.4 -12.2 -16.4 221 217 A L H 3< S+ 0 0 48 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.533 86.7 118.8 -95.5 -5.1 24.6 -10.4 -13.9 222 218 A K S << S- 0 0 97 -4,-1.3 -3,-0.0 -3,-0.6 -4,-0.0 -0.317 72.6 -23.1 -72.4 144.0 25.7 -7.4 -15.8 223 219 A G 0 0 57 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.222 360.0 360.0 73.6-160.2 24.9 -3.9 -14.7 224 220 A S 0 0 116 -220,-0.0 -1,-0.2 -223,-0.0 -222,-0.1 0.462 360.0 360.0 -72.9 360.0 22.0 -2.8 -12.4