==== 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 3QXH . COMPND 2 MOLECULE: DETHIOBIOTIN SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR P.J.POREBSKI,M.M.KLIMECKA,M.CHRUSZCZ,K.MURZYN,C.MINOR,A.JOAC . 224 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 70.1 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 . 14 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 32.6 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 2 2 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 0 194 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 167.4 21.9 -4.3 -5.8 2 -2 A Q - 0 0 122 1,-0.2 110,-0.2 222,-0.1 109,-0.1 -0.258 360.0 -53.5 -72.9 172.2 19.6 -7.0 -4.6 3 -1 A G - 0 0 17 108,-2.7 113,-0.2 111,-0.3 -1,-0.2 -0.179 61.1-112.8 -51.3 144.1 19.9 -10.3 -6.6 4 0 A H E -a 116 0A 30 111,-2.0 113,-2.4 -3,-0.1 2,-0.4 -0.355 26.0-141.2 -67.4 158.3 19.4 -10.1 -10.4 5 1 A M E -a 117 0A 13 111,-0.2 140,-2.4 138,-0.2 2,-0.5 -0.997 13.5-170.3-133.7 129.5 16.4 -11.7 -12.0 6 2 A L E -ab 118 145A 1 111,-2.5 113,-2.8 -2,-0.4 2,-0.4 -0.981 10.3-152.7-121.1 118.4 16.4 -13.7 -15.3 7 3 A F E -ab 119 146A 0 138,-3.2 140,-2.9 -2,-0.5 2,-0.6 -0.744 9.4-151.1 -86.0 138.7 13.1 -14.7 -17.0 8 4 A I E +ab 120 147A 0 111,-2.9 113,-2.8 -2,-0.4 140,-0.2 -0.958 27.1 155.9-115.9 114.5 13.3 -17.8 -19.2 9 5 A S E - b 0 148A 0 138,-2.4 140,-2.5 -2,-0.6 2,-0.3 -0.485 19.7-155.1-116.4-168.8 10.8 -18.0 -22.1 10 6 A A E - b 0 149A 0 138,-0.3 115,-0.5 113,-0.3 140,-0.2 -0.980 37.9 -93.9-158.7 169.4 11.0 -19.9 -25.3 11 7 A T S S- 0 0 15 138,-2.3 2,-0.3 -2,-0.3 113,-0.2 0.846 103.7 -39.9 -57.0 -37.1 9.9 -20.2 -28.9 12 8 A N S > S- 0 0 101 137,-0.4 3,-1.3 111,-0.2 4,-0.2 -0.968 85.0 -50.4-172.2 179.1 7.2 -22.4 -27.5 13 9 A T T 3 S+ 0 0 97 -2,-0.3 111,-0.0 1,-0.2 109,-0.0 -0.338 119.2 26.5 -60.0 149.9 6.5 -25.2 -25.1 14 10 A N T 3 S+ 0 0 154 1,-0.1 -1,-0.2 109,-0.1 -4,-0.0 0.533 84.5 116.4 73.6 11.5 8.8 -28.1 -25.1 15 11 A A S < S- 0 0 4 -3,-1.3 164,-0.2 134,-0.1 -2,-0.1 0.756 94.1 -87.9 -80.4 -26.0 11.8 -26.1 -26.5 16 12 A G S > S+ 0 0 10 -4,-0.2 4,-2.6 133,-0.1 5,-0.3 0.566 77.5 138.8 129.1 19.7 14.0 -26.5 -23.4 17 13 A K H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.929 81.7 41.9 -55.6 -52.9 13.2 -23.8 -20.9 18 14 A T H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.935 116.3 48.2 -63.3 -46.2 13.4 -26.2 -17.9 19 15 A T H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 116.9 41.7 -60.0 -48.6 16.4 -28.1 -19.1 20 16 A C H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.887 111.4 55.6 -70.8 -38.8 18.4 -25.0 -19.9 21 17 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.3 5,-0.2 0.934 109.8 47.3 -56.5 -46.9 17.3 -23.2 -16.7 22 18 A R H X S+ 0 0 67 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.921 112.2 49.0 -64.2 -40.7 18.6 -26.1 -14.7 23 19 A L H X S+ 0 0 62 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.924 113.3 46.9 -64.4 -41.4 21.9 -26.2 -16.6 24 20 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.932 112.8 48.0 -67.3 -45.1 22.4 -22.5 -16.1 25 21 A A H X S+ 0 0 2 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.894 111.0 52.3 -62.9 -38.2 21.6 -22.5 -12.4 26 22 A Q H X S+ 0 0 133 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.939 112.0 46.1 -61.5 -45.0 23.9 -25.5 -11.9 27 23 A Y H X S+ 0 0 65 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.935 113.0 48.7 -62.8 -48.3 26.7 -23.6 -13.6 28 24 A C H ><>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 3,-0.7 0.942 111.6 49.0 -58.7 -47.9 26.1 -20.4 -11.7 29 25 A N H ><5S+ 0 0 54 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.890 108.4 54.1 -60.5 -38.7 26.0 -22.2 -8.4 30 26 A A H 3<5S+ 0 0 88 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.761 107.5 51.8 -64.0 -27.8 29.2 -24.0 -9.2 31 27 A C T <<5S- 0 0 63 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.327 126.1-102.0 -87.0 2.4 30.8 -20.6 -9.9 32 28 A G T < 5S+ 0 0 61 -3,-1.6 2,-0.8 1,-0.2 -3,-0.2 0.626 82.3 131.9 83.9 14.4 29.6 -19.3 -6.5 33 29 A V < - 0 0 21 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.887 58.1-136.7 -99.8 99.7 26.7 -17.3 -7.9 34 30 A K - 0 0 80 -2,-0.8 82,-2.0 -3,-0.1 81,-1.6 -0.522 33.0-177.9 -68.9 117.4 23.9 -18.4 -5.5 35 31 A T E -c 116 0A 0 -2,-0.5 2,-0.3 -10,-0.2 82,-0.2 -0.963 19.0-162.0-133.2 131.8 20.9 -19.1 -7.8 36 32 A I E -c 117 0A 0 80,-1.9 82,-3.0 -2,-0.4 2,-0.5 -0.877 13.6-140.5-110.1 147.5 17.3 -20.2 -7.3 37 33 A L E -c 118 0A 1 -2,-0.3 2,-0.4 21,-0.2 82,-0.2 -0.928 21.6-175.0-109.7 122.7 14.9 -21.7 -9.9 38 34 A L E -c 119 0A 0 80,-2.9 82,-2.9 -2,-0.5 37,-0.2 -0.923 20.1-173.9-120.8 142.5 11.2 -20.6 -9.8 39 35 A K + 0 0 7 35,-2.2 37,-0.2 -2,-0.4 82,-0.1 -0.762 12.7 176.3-129.0 78.8 8.2 -21.7 -11.8 40 36 A P + 0 0 1 0, 0.0 37,-2.1 0, 0.0 36,-2.0 0.832 69.2 29.8 -62.0 -33.9 5.5 -19.3 -10.7 41 37 A I E +f 77 0B 1 79,-0.5 2,-0.4 35,-0.2 37,-0.2 -0.991 69.0 171.5-128.2 128.7 2.8 -20.6 -13.0 42 38 A E E -f 78 0B 12 35,-2.6 37,-2.0 -2,-0.4 2,-0.2 -0.990 7.6-171.7-142.2 129.3 2.6 -24.2 -14.3 43 39 A T + 0 0 30 -2,-0.4 39,-0.2 35,-0.2 37,-0.2 -0.672 63.8 44.3-107.2 169.4 -0.2 -25.9 -16.2 44 40 A G S S+ 0 0 34 37,-1.7 2,-0.3 -2,-0.2 36,-0.2 0.790 84.1 132.6 71.6 29.4 -0.7 -29.5 -17.1 45 41 A V - 0 0 16 34,-2.6 2,-0.3 -3,-0.2 -1,-0.2 -0.869 41.4-173.3-120.7 149.3 0.2 -30.9 -13.6 46 42 A N >> - 0 0 62 -2,-0.3 4,-1.6 1,-0.1 3,-1.2 -0.837 9.2-177.9-136.4 92.8 -1.3 -33.3 -11.1 47 43 A D T 34 S+ 0 0 48 -2,-0.3 -1,-0.1 1,-0.3 6,-0.0 0.671 76.3 66.0 -70.2 -19.5 0.8 -33.0 -8.0 48 44 A A T 34 S+ 0 0 87 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.699 120.9 18.9 -68.2 -30.2 -1.1 -35.7 -6.1 49 45 A I T <4 S+ 0 0 140 -3,-1.2 2,-0.4 1,-0.2 -2,-0.2 0.494 120.3 54.4-122.1 -6.6 0.3 -38.3 -8.6 50 46 A N < + 0 0 77 -4,-1.6 -1,-0.2 1,-0.1 3,-0.2 -0.996 41.2 178.8-141.0 129.7 3.3 -36.9 -10.4 51 47 A H + 0 0 119 -2,-0.4 -4,-0.1 1,-0.1 -1,-0.1 -0.174 67.6 84.6-118.9 36.3 6.5 -35.4 -8.9 52 48 A S + 0 0 82 4,-0.1 -1,-0.1 5,-0.0 -5,-0.0 0.187 55.5 126.5-126.8 15.1 8.2 -34.6 -12.2 53 49 A S S > S- 0 0 9 -3,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.108 78.4-100.0 -65.9 167.8 6.8 -31.2 -13.1 54 50 A D H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.931 126.2 51.8 -58.1 -43.6 9.1 -28.3 -13.8 55 51 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.864 107.8 52.0 -63.7 -35.0 8.6 -27.0 -10.3 56 52 A H H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 110.7 47.4 -67.0 -39.7 9.4 -30.5 -8.8 57 53 A L H X S+ 0 0 40 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.931 113.1 48.7 -66.1 -43.6 12.7 -30.6 -10.8 58 54 A F H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -21,-0.2 0.905 108.4 54.3 -57.8 -43.4 13.5 -27.1 -9.7 59 55 A L H X S+ 0 0 27 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.900 104.8 53.7 -60.5 -44.2 12.7 -27.9 -6.1 60 56 A Q H < S+ 0 0 106 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.947 114.3 41.6 -55.3 -48.2 15.2 -30.9 -6.2 61 57 A D H >< S+ 0 0 41 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.916 114.1 52.1 -67.9 -40.6 18.0 -28.6 -7.4 62 58 A N H >X S+ 0 0 2 -4,-2.9 3,-2.1 1,-0.3 4,-1.3 0.805 95.6 67.8 -66.7 -32.5 17.0 -25.8 -5.0 63 59 A R T 3< S+ 0 0 82 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.661 84.1 73.4 -67.0 -12.5 17.0 -28.0 -1.9 64 60 A L T <4 S+ 0 0 142 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.611 110.2 31.5 -69.3 -10.7 20.8 -28.2 -2.4 65 61 A L T <4 S+ 0 0 69 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.604 135.5 20.1-115.2 -24.9 20.8 -24.6 -1.1 66 62 A D >< - 0 0 54 -4,-1.3 3,-1.4 1,-0.1 -1,-0.2 -0.812 55.4-167.9-155.3 102.4 17.8 -24.6 1.2 67 63 A R T 3 S+ 0 0 158 -2,-0.3 -4,-0.1 1,-0.3 -1,-0.1 0.737 86.2 66.3 -63.5 -23.7 16.4 -27.8 2.7 68 64 A S T 3 S+ 0 0 82 2,-0.0 -1,-0.3 -5,-0.0 2,-0.1 0.586 73.9 112.7 -79.2 -13.2 13.3 -26.0 4.0 69 65 A L < - 0 0 8 -3,-1.4 2,-0.3 -7,-0.1 -3,-0.0 -0.399 44.0-175.2 -62.4 141.9 12.0 -25.2 0.5 70 66 A T >> - 0 0 51 -2,-0.1 3,-1.7 1,-0.0 4,-0.5 -0.802 42.0 -95.3-127.8 169.4 8.8 -26.8 -0.5 71 67 A L H >> S+ 0 0 30 1,-0.3 3,-1.7 -2,-0.3 4,-1.3 0.897 121.6 57.6 -55.1 -44.8 6.8 -26.8 -3.8 72 68 A K H 34 S+ 0 0 145 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.663 98.1 62.3 -67.2 -14.2 4.5 -24.0 -2.7 73 69 A D H <4 S+ 0 0 56 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.658 116.5 27.6 -77.4 -20.2 7.5 -21.7 -2.0 74 70 A I H << S+ 0 0 0 -3,-1.7 -35,-2.2 -4,-0.5 2,-0.3 0.439 122.1 45.4-124.5 -3.1 8.6 -21.7 -5.7 75 71 A S < + 0 0 4 -4,-1.3 -1,-0.3 -37,-0.2 -34,-0.2 -0.971 53.2 170.6-148.5 126.5 5.4 -22.3 -7.7 76 72 A F + 0 0 41 -36,-2.0 2,-0.5 -2,-0.3 -35,-0.2 0.682 64.7 43.4-118.4 -29.6 2.2 -20.4 -6.9 77 73 A Y E +f 41 0B 40 -37,-2.1 -35,-2.6 2,-0.0 2,-0.4 -0.971 66.6 170.3-125.4 112.8 -0.5 -21.0 -9.6 78 74 A R E -f 42 0B 50 -2,-0.5 2,-0.3 -37,-0.2 -35,-0.2 -0.989 5.7-179.3-132.0 132.9 -0.8 -24.6 -10.7 79 75 A Y - 0 0 8 -37,-2.0 -34,-2.6 -2,-0.4 -35,-0.1 -0.929 31.0-139.3-136.9 151.3 -3.5 -26.2 -12.9 80 76 A H S S+ 0 0 112 -2,-0.3 -1,-0.1 -36,-0.2 -37,-0.1 0.836 74.9 96.7 -75.0 -38.5 -4.4 -29.6 -14.3 81 77 A K S S- 0 0 73 -37,-0.1 -37,-1.7 1,-0.1 2,-1.6 -0.322 74.8-133.6 -63.3 136.1 -5.4 -28.4 -17.8 82 78 A V S S+ 0 0 130 -39,-0.2 2,-0.3 -38,-0.2 -1,-0.1 -0.621 73.1 89.8 -90.1 79.8 -2.7 -28.8 -20.4 83 79 A S S S- 0 0 29 -2,-1.6 -4,-0.1 -4,-0.1 -40,-0.1 -0.885 87.3 -49.9-156.9 176.7 -3.3 -25.3 -21.8 84 80 A A > - 0 0 31 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.373 57.7-114.7 -57.4 146.7 -2.4 -21.6 -21.5 85 81 A P H > S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.883 112.6 57.6 -55.3 -40.8 -2.6 -20.4 -17.9 86 82 A L H > S+ 0 0 13 42,-2.1 4,-2.3 1,-0.2 5,-0.1 0.908 110.1 43.5 -58.3 -46.2 -5.5 -18.0 -18.6 87 83 A I H > S+ 0 0 69 -3,-0.4 4,-1.9 41,-0.2 -1,-0.2 0.913 114.2 50.0 -67.5 -42.2 -7.8 -20.8 -19.9 88 84 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.929 112.3 47.8 -60.9 -44.5 -6.8 -23.2 -17.1 89 85 A Q H X S+ 0 0 7 -4,-2.9 4,-2.7 1,-0.2 7,-0.3 0.923 110.0 51.4 -63.3 -48.1 -7.5 -20.5 -14.5 90 86 A Q H < S+ 0 0 91 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.854 118.1 39.5 -60.8 -34.5 -10.9 -19.6 -16.0 91 87 A E H < S+ 0 0 118 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.905 128.6 26.7 -80.1 -43.4 -11.9 -23.3 -16.0 92 88 A E H < S+ 0 0 74 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.702 137.7 18.7 -96.3 -24.1 -10.4 -24.5 -12.7 93 89 A D >< + 0 0 69 -4,-2.7 3,-2.2 -5,-0.4 -1,-0.2 -0.434 64.2 163.9-148.6 62.4 -10.4 -21.4 -10.5 94 90 A P T 3 S+ 0 0 78 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.758 76.4 54.8 -64.7 -23.4 -12.7 -18.8 -12.1 95 91 A N T 3 S+ 0 0 157 1,-0.2 -5,-0.1 -6,-0.1 -6,-0.0 0.426 102.3 60.2 -89.8 2.2 -12.8 -16.7 -8.9 96 92 A A < - 0 0 31 -3,-2.2 -1,-0.2 -7,-0.3 3,-0.1 -0.619 68.1-168.7-131.2 76.3 -9.0 -16.3 -8.6 97 93 A P - 0 0 82 0, 0.0 2,-0.1 0, 0.0 33,-0.1 -0.287 45.7 -88.9 -52.1 145.0 -7.4 -14.5 -11.7 98 94 A I - 0 0 5 31,-0.4 2,-0.8 1,-0.1 31,-0.0 -0.425 40.9-144.2 -63.7 128.5 -3.7 -14.8 -11.7 99 95 A D > - 0 0 76 1,-0.2 4,-2.2 -2,-0.1 5,-0.1 -0.845 19.5-178.8-102.3 97.1 -2.3 -11.8 -9.7 100 96 A T H > S+ 0 0 2 -2,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.723 81.7 60.5 -71.5 -22.1 1.0 -10.7 -11.3 101 97 A D H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 108.6 45.0 -66.1 -46.7 1.4 -7.9 -8.7 102 98 A N H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.938 113.2 50.1 -60.8 -47.1 1.5 -10.6 -6.0 103 99 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.891 107.3 54.7 -60.3 -41.0 3.8 -12.8 -8.1 104 100 A T H X S+ 0 0 23 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.923 109.6 47.3 -58.8 -44.1 6.2 -9.9 -8.6 105 101 A Q H X S+ 0 0 84 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.931 112.9 48.1 -61.9 -46.5 6.4 -9.4 -4.9 106 102 A R H X S+ 0 0 113 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.907 115.0 45.1 -63.5 -41.8 7.0 -13.1 -4.2 107 103 A L H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.4 0.934 112.0 50.3 -69.1 -45.5 9.7 -13.3 -6.9 108 104 A H H >< S+ 0 0 67 -4,-2.6 3,-1.7 -5,-0.3 4,-0.3 0.829 97.8 69.0 -63.8 -27.1 11.5 -10.2 -5.9 109 105 A N H >< S+ 0 0 86 -4,-1.9 3,-1.8 1,-0.3 4,-0.4 0.875 91.7 61.4 -58.3 -35.1 11.6 -11.3 -2.3 110 106 A F G XX S+ 0 0 32 -3,-0.9 4,-1.3 -4,-0.8 3,-0.7 0.681 85.0 75.7 -66.4 -17.8 14.1 -14.0 -3.4 111 107 A T G <4 S+ 0 0 10 -3,-1.7 -108,-2.7 -4,-0.4 -1,-0.3 0.635 86.3 64.6 -69.4 -13.0 16.5 -11.3 -4.5 112 108 A K G <4 S+ 0 0 139 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.882 114.8 27.2 -66.6 -39.4 17.2 -10.7 -0.8 113 109 A T T <4 S+ 0 0 80 -3,-0.7 2,-0.3 -4,-0.4 -2,-0.2 0.459 116.7 57.7-112.4 -1.9 18.7 -14.2 -0.4 114 110 A Y < - 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0 0 34 -4,-0.7 4,-0.0 -3,-0.5 0, 0.0 -0.881 64.1-145.4-120.8 147.9 22.8 -7.8 -35.8 203 199 A N S S+ 0 0 174 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.672 99.7 47.5 -80.6 -17.7 23.8 -5.9 -32.7 204 200 A N S S- 0 0 36 -29,-0.0 -1,-0.2 2,-0.0 -28,-0.1 -0.897 86.8-152.1-128.5 99.0 22.3 -8.7 -30.5 205 201 A P - 0 0 44 0, 0.0 2,-0.5 0, 0.0 -29,-0.4 -0.354 14.5-121.5 -79.1 153.4 23.4 -12.2 -31.7 206 202 A I - 0 0 4 -11,-0.3 2,-0.2 -31,-0.1 -29,-0.2 -0.789 38.2-165.5 -86.3 128.3 21.6 -15.5 -31.4 207 203 A V E -e 177 0A 26 -31,-2.3 -29,-2.8 -2,-0.5 2,-0.6 -0.640 25.3-109.7-112.0 169.3 23.8 -17.9 -29.5 208 204 A I E > -e 178 0A 8 -31,-0.2 3,-1.3 -2,-0.2 4,-0.4 -0.904 26.1-141.6 -98.6 123.2 23.9 -21.7 -28.9 209 205 A F G > S+ 0 0 0 -31,-2.6 3,-2.1 -2,-0.6 -30,-0.2 0.905 98.6 54.1 -51.2 -48.5 22.9 -22.3 -25.2 210 206 A Q G 3 S+ 0 0 78 -32,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.710 111.1 46.0 -67.9 -20.4 25.4 -25.2 -24.8 211 207 A Q G < S+ 0 0 154 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.417 111.0 58.4 -87.6 -5.4 28.3 -22.9 -25.9 212 208 A S <> + 0 0 8 -3,-2.1 4,-2.9 -4,-0.4 5,-0.3 0.088 54.0 117.3-126.2 18.4 27.1 -20.0 -23.8 213 209 A L H > S+ 0 0 43 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.938 88.5 42.1 -57.5 -46.1 27.0 -20.9 -20.1 214 210 A K H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 116.1 48.9 -66.5 -45.1 29.6 -18.3 -19.1 215 211 A V H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 112.4 48.1 -59.9 -41.4 28.3 -15.7 -21.5 216 212 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.872 109.8 51.8 -73.4 -33.8 24.7 -16.1 -20.2 217 213 A M H X S+ 0 0 30 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.939 111.6 47.7 -61.6 -46.7 25.8 -16.0 -16.5 218 214 A S H X S+ 0 0 77 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.931 112.7 49.6 -58.4 -46.8 27.6 -12.7 -17.4 219 215 A F H >< S+ 0 0 16 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.925 109.4 51.1 -55.3 -48.8 24.5 -11.4 -19.2 220 216 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 116.4 40.2 -62.9 -32.1 22.2 -12.3 -16.2 221 217 A L H 3< S+ 0 0 51 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.504 87.1 117.8 -96.0 -7.1 24.4 -10.5 -13.7 222 218 A K S << S- 0 0 97 -4,-1.0 -3,-0.0 -3,-0.7 -4,-0.0 -0.336 72.5 -23.0 -72.7 144.8 25.4 -7.4 -15.6 223 219 A G 0 0 57 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.209 360.0 360.0 71.3-154.5 24.5 -3.9 -14.5 224 220 A S 0 0 119 -220,-0.0 -1,-0.2 -223,-0.0 -222,-0.1 0.430 360.0 360.0 -82.8 360.0 21.6 -3.0 -12.3