==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-OCT-06 2NO5 . COMPND 2 MOLECULE: (S)-2-HALOACID DEHALOGENASE IVA; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CEPACIA; . AUTHOR J.W.SCHMIDBERGER,M.C.J.WILCE . 451 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 22 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.5 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 3 4 0 0 0 1 4 3 0 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 L 0 0 108 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.7 -33.4 69.3 -14.5 2 2 A V + 0 0 108 221,-0.0 3,-0.1 3,-0.0 208,-0.0 0.543 360.0 10.9-132.5 -47.5 -36.3 66.8 -14.7 3 3 A D S S+ 0 0 74 1,-0.1 168,-0.1 222,-0.0 220,-0.0 -0.128 88.2 89.8-144.3 46.6 -36.5 64.7 -17.9 4 4 A S + 0 0 78 166,-0.2 2,-0.3 0, 0.0 -1,-0.1 -0.152 65.4 132.2-112.7 31.2 -33.5 64.8 -20.3 5 5 A L + 0 0 13 -3,-0.1 167,-0.2 1,-0.1 166,-0.1 -0.628 34.1 177.5 -84.8 141.8 -32.1 61.9 -18.3 6 6 A R + 0 0 114 165,-3.0 108,-2.6 -2,-0.3 2,-0.4 0.518 61.5 41.7-117.4 -14.8 -30.8 58.8 -20.1 7 7 A A E -ab 114 172A 0 164,-2.3 166,-3.6 106,-0.2 2,-0.5 -0.994 51.2-158.2-144.9 138.8 -29.6 56.6 -17.3 8 8 A C E -ab 115 173A 0 106,-2.5 108,-2.4 -2,-0.4 2,-0.6 -0.986 19.2-165.1-111.3 120.0 -30.5 55.5 -13.8 9 9 A V E -ab 116 174A 0 164,-3.5 166,-2.6 -2,-0.5 2,-0.4 -0.926 6.8-160.7-109.9 125.7 -27.5 54.3 -11.8 10 10 A F E -ab 117 175A 0 106,-3.1 108,-3.0 -2,-0.6 2,-0.2 -0.864 17.4-134.2-106.1 135.6 -28.1 52.2 -8.7 11 11 A X > - 0 0 0 164,-2.1 5,-0.7 -2,-0.4 108,-0.2 -0.578 22.0-155.4 -64.1 145.8 -26.0 51.5 -5.7 12 12 A A T >>> + 0 0 0 106,-0.2 5,-2.5 -2,-0.2 3,-2.0 0.904 69.1 61.2 -90.8 -75.3 -26.3 47.7 -4.9 13 13 A Y B 345S+f 17 0B 0 1,-0.3 -1,-0.2 3,-0.2 5,-0.1 -0.358 124.8 4.0 -64.3 101.5 -25.5 47.0 -1.3 14 14 A G T 345S+ 0 0 10 3,-2.5 -1,-0.3 -2,-0.8 4,-0.1 0.170 131.3 56.6 109.8 -16.8 -28.0 48.8 0.8 15 15 A T T <45S+ 0 0 0 -3,-2.0 -3,-0.2 161,-0.1 -2,-0.2 0.821 127.2 3.0-111.3 -57.7 -30.1 50.2 -2.1 16 16 A L T < - 0 0 32 78,-2.1 3,-0.5 -2,-0.4 78,-0.4 -0.723 21.3-178.4 -94.8 106.3 -30.8 44.2 1.6 19 19 A V T >> S+ 0 0 16 -2,-0.8 3,-1.4 1,-0.2 4,-0.6 0.811 78.2 66.8 -78.2 -24.8 -27.8 44.0 3.9 20 20 A H H >> S+ 0 0 69 1,-0.3 4,-3.0 2,-0.2 3,-0.9 0.902 89.3 68.8 -53.3 -39.5 -29.9 43.6 7.1 21 21 A S H <> S+ 0 0 12 -3,-0.5 4,-2.2 1,-0.3 -1,-0.3 0.747 86.3 67.6 -58.6 -21.1 -31.1 40.3 5.8 22 22 A A H <4 S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.952 116.5 22.6 -67.5 -45.4 -27.7 38.8 6.2 23 23 A V H XX S+ 0 0 4 -3,-0.9 3,-2.4 -4,-0.6 4,-0.8 0.873 119.4 62.6 -84.1 -36.0 -27.8 38.9 10.0 24 24 A M H >< S+ 0 0 110 -4,-3.0 3,-0.8 1,-0.3 4,-0.3 0.882 101.6 51.7 -63.1 -35.4 -31.5 39.1 10.2 25 25 A R T 3< S+ 0 0 201 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.510 120.1 35.7 -77.0 -4.8 -31.9 35.6 8.7 26 26 A N T X> S+ 0 0 19 -3,-2.4 4,-2.1 -5,-0.1 3,-0.6 0.257 79.6 118.3-128.6 9.3 -29.4 34.3 11.2 27 27 A A H < - 0 0 36 -4,-3.3 3,-2.1 -5,-0.2 -1,-0.2 -0.559 45.6 -29.4 102.5-168.4 -28.1 35.8 19.7 32 32 A A T 3 S+ 0 0 117 1,-0.3 3,-0.3 -2,-0.2 4,-0.3 0.553 127.1 63.0 -71.8 -12.2 -29.2 39.1 21.3 33 33 A S T 3> S+ 0 0 46 -3,-0.3 4,-3.6 1,-0.2 5,-0.3 0.446 70.7 109.7 -89.4 3.5 -26.3 41.1 19.9 34 34 A A H <> S+ 0 0 13 -3,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.856 78.9 44.4 -36.7 -57.0 -27.5 40.5 16.3 35 35 A E H > S+ 0 0 90 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.904 116.7 46.4 -72.3 -37.6 -28.6 44.0 15.6 36 36 A A H > S+ 0 0 27 -4,-0.3 4,-3.2 2,-0.2 5,-0.2 0.974 114.1 49.0 -56.0 -54.5 -25.4 45.5 17.3 37 37 A L H X S+ 0 0 0 -4,-3.6 4,-2.1 1,-0.3 -2,-0.2 0.859 108.9 54.1 -59.3 -38.2 -23.3 43.0 15.4 38 38 A S H X S+ 0 0 9 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.3 0.922 110.6 44.2 -62.9 -44.2 -25.1 43.9 12.2 39 39 A M H X S+ 0 0 112 -4,-1.9 4,-3.0 -3,-0.2 5,-0.3 0.951 111.5 53.3 -67.1 -44.3 -24.4 47.7 12.5 40 40 A L H X S+ 0 0 30 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.907 109.0 50.2 -59.9 -37.1 -20.8 47.1 13.5 41 41 A W H X S+ 0 0 10 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.911 112.3 46.2 -65.0 -46.6 -20.3 45.0 10.4 42 42 A R H X S+ 0 0 46 -4,-2.0 4,-1.7 2,-0.2 5,-0.2 0.942 113.3 49.3 -58.1 -48.8 -21.8 47.6 8.1 43 43 A Q H X S+ 0 0 32 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.855 115.1 43.5 -67.8 -28.3 -19.8 50.5 9.7 44 44 A R H X S+ 0 0 44 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.790 106.9 58.4 -86.4 -29.9 -16.5 48.6 9.5 45 45 A Q H X S+ 0 0 2 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.990 114.6 38.9 -58.4 -58.2 -17.0 47.3 5.9 46 46 A L H X S+ 0 0 8 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.831 111.4 57.8 -60.0 -40.6 -17.3 50.9 4.8 47 47 A E H X S+ 0 0 4 -4,-1.6 4,-3.0 1,-0.3 5,-0.4 0.948 107.7 48.2 -58.3 -49.2 -14.6 52.3 7.1 48 48 A Y H X S+ 0 0 8 -4,-2.5 4,-1.7 1,-0.2 5,-0.3 0.833 109.7 52.7 -60.2 -31.7 -12.2 49.9 5.6 49 49 A S H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 102,-0.3 0.961 116.0 39.0 -72.2 -42.0 -13.2 50.9 2.1 50 50 A W H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.925 118.6 44.0 -73.1 -49.6 -12.7 54.6 2.7 51 51 A T H X S+ 0 0 0 -4,-3.0 4,-1.6 -5,-0.2 -3,-0.2 0.925 113.9 51.1 -68.6 -37.1 -9.6 54.5 4.8 52 52 A R H <>S+ 0 0 12 -4,-1.7 5,-2.8 -5,-0.4 4,-0.4 0.888 110.8 48.3 -65.3 -36.2 -7.8 52.0 2.6 53 53 A T H ><5S+ 0 0 16 -4,-1.5 3,-1.2 -5,-0.3 -2,-0.2 0.974 110.8 52.0 -71.9 -42.6 -8.6 54.1 -0.5 54 54 A L H 3<5S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.771 114.3 42.2 -50.7 -35.8 -7.2 57.2 1.4 55 55 A M T 3<5S- 0 0 5 -4,-1.6 -1,-0.2 325,-0.2 -2,-0.2 0.312 114.8-113.4-102.4 8.4 -3.9 55.4 2.3 56 56 A H T < 5S+ 0 0 125 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.890 79.1 123.2 65.1 41.7 -3.5 53.8 -1.1 57 57 A Q < - 0 0 51 -5,-2.8 -4,-0.1 -6,-0.2 -1,-0.1 -0.479 40.7-174.5-130.0 64.1 -3.9 50.2 0.1 58 58 A Y + 0 0 50 91,-0.2 2,-0.3 -5,-0.1 -9,-0.1 -0.299 11.9 168.1 -60.3 136.3 -6.8 48.8 -1.9 59 59 A A - 0 0 10 -10,-0.1 5,-0.1 -2,-0.0 -2,-0.1 -0.965 41.9 -95.6-135.4 157.3 -8.2 45.3 -1.2 60 60 A D > - 0 0 45 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.063 32.5-104.4 -76.0 174.3 -11.5 44.2 -2.8 61 61 A F H > S+ 0 0 0 59,-0.5 4,-3.0 1,-0.2 5,-0.2 0.892 116.5 56.8 -70.4 -38.0 -15.0 44.4 -1.2 62 62 A W H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.957 108.9 47.8 -53.7 -52.4 -15.2 40.7 -0.4 63 63 A Q H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 112.6 47.6 -54.4 -44.2 -12.0 40.9 1.6 64 64 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.905 109.8 53.4 -66.2 -38.8 -13.2 43.9 3.5 65 65 A T H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.916 111.8 47.3 -55.9 -44.3 -16.5 42.3 4.1 66 66 A D H X S+ 0 0 48 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.878 112.5 47.2 -66.1 -43.0 -14.6 39.4 5.6 67 67 A E H X S+ 0 0 64 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.924 112.6 49.0 -68.2 -41.3 -12.4 41.5 7.7 68 68 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.925 110.8 50.3 -69.1 -38.2 -15.2 43.5 9.0 69 69 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.957 111.5 48.3 -63.3 -46.4 -17.2 40.5 9.9 70 70 A T H X S+ 0 0 26 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.965 112.5 48.7 -55.1 -52.9 -14.3 38.9 11.7 71 71 A F H X S+ 0 0 12 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.935 112.9 48.2 -54.9 -50.0 -13.7 42.1 13.6 72 72 A A H X S+ 0 0 0 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.931 111.9 47.9 -52.5 -54.1 -17.4 42.4 14.6 73 73 A L H <>S+ 0 0 2 -4,-2.9 5,-2.0 1,-0.2 -1,-0.2 0.908 113.9 47.6 -59.1 -44.8 -17.8 38.8 15.8 74 74 A R H ><5S+ 0 0 97 -4,-2.7 3,-3.0 -5,-0.3 -1,-0.2 0.960 106.7 57.0 -59.0 -50.6 -14.6 39.1 17.8 75 75 A T H 3<5S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.862 109.0 46.2 -48.6 -41.4 -15.7 42.4 19.3 76 76 A Y T 3<5S- 0 0 81 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.297 106.2-131.4 -85.7 10.6 -18.9 40.7 20.6 77 77 A H T < 5 - 0 0 163 -3,-3.0 -3,-0.2 -5,-0.1 -2,-0.1 0.821 43.9-179.3 45.7 37.6 -16.8 37.7 21.9 78 78 A L < - 0 0 32 -5,-2.0 3,-0.3 1,-0.1 2,-0.3 -0.244 23.0-119.5 -70.9 159.9 -19.3 35.5 20.2 79 79 A E S S+ 0 0 169 1,-0.2 -1,-0.1 -49,-0.2 -5,-0.0 -0.766 88.4 23.4-103.4 146.9 -19.2 31.7 20.2 80 80 A D > + 0 0 87 -2,-0.3 4,-2.3 3,-0.1 -1,-0.2 0.922 69.9 166.5 67.9 48.2 -18.8 29.4 17.2 81 81 A R H > + 0 0 108 -3,-0.3 4,-3.4 1,-0.2 5,-0.2 0.904 68.9 58.0 -60.4 -40.9 -17.2 32.2 15.2 82 82 A K H > S+ 0 0 157 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.951 114.5 35.6 -55.0 -54.1 -16.0 29.8 12.5 83 83 A G H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.829 116.9 54.5 -73.6 -30.0 -19.6 28.5 11.8 84 84 A L H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.883 106.8 51.6 -71.2 -33.6 -21.0 31.9 12.4 85 85 A K H X S+ 0 0 52 -4,-3.4 4,-2.7 2,-0.2 -2,-0.2 0.910 110.2 47.5 -69.6 -42.8 -18.6 33.4 9.8 86 86 A D H X S+ 0 0 93 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.944 113.2 48.8 -63.8 -48.3 -19.5 30.8 7.1 87 87 A R H X S+ 0 0 116 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.968 116.7 41.7 -56.1 -51.7 -23.3 31.3 7.7 88 88 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.881 113.9 51.0 -67.9 -38.4 -23.0 35.1 7.6 89 89 A M H >X S+ 0 0 14 -4,-2.7 4,-2.8 2,-0.2 3,-0.5 0.988 112.7 46.3 -60.0 -56.3 -20.6 35.2 4.6 90 90 A S H 3X S+ 0 0 72 -4,-2.6 4,-1.7 1,-0.3 -2,-0.2 0.906 109.5 55.3 -50.4 -44.9 -22.8 32.9 2.6 91 91 A A H 3< S+ 0 0 23 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.915 112.0 43.7 -57.1 -38.6 -25.8 35.1 3.6 92 92 A Y H X< S+ 0 0 5 -4,-2.1 3,-1.2 -3,-0.5 -2,-0.2 0.860 106.5 60.3 -72.8 -37.1 -23.9 38.1 2.2 93 93 A K H 3< S+ 0 0 59 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.839 119.1 29.7 -57.3 -36.4 -22.8 36.3 -0.9 94 94 A E T 3< S+ 0 0 124 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.456 84.1 173.8-124.9 55.5 -26.5 35.8 -1.8 95 95 A L < - 0 0 1 -3,-1.2 2,-0.3 1,-0.1 38,-0.1 -0.360 32.4-118.1 -57.4 137.1 -28.2 38.8 -0.2 96 96 A S - 0 0 50 -78,-0.4 -78,-2.1 -5,-0.1 -75,-0.2 -0.635 27.0-114.4 -86.6 141.4 -31.9 39.1 -1.1 97 97 A A B -G 17 0B 27 -2,-0.3 -80,-0.2 -80,-0.2 -1,-0.1 -0.038 36.5 -90.2 -57.5 161.7 -33.3 42.1 -3.0 98 98 A Y > - 0 0 26 -82,-1.5 3,-1.9 1,-0.1 4,-0.4 -0.424 49.3-102.1 -69.7 156.2 -35.7 44.6 -1.6 99 99 A P T 3 S+ 0 0 123 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.846 119.4 34.1 -52.5 -31.6 -39.3 43.5 -2.3 100 100 A D T 3> S+ 0 0 47 1,-0.1 4,-1.8 2,-0.1 5,-0.2 0.243 85.5 101.9-108.3 6.3 -39.6 45.9 -5.2 101 101 A A H <> S+ 0 0 0 -3,-1.9 4,-2.2 1,-0.2 5,-0.2 0.971 82.5 47.7 -62.6 -55.2 -36.2 46.0 -6.7 102 102 A A H > S+ 0 0 46 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.857 114.1 44.6 -45.7 -56.8 -36.9 43.6 -9.7 103 103 A E H > S+ 0 0 106 -4,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.929 113.7 47.9 -61.5 -51.6 -40.1 45.2 -10.9 104 104 A T H X S+ 0 0 6 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.822 114.0 47.2 -68.4 -30.8 -39.0 48.8 -10.6 105 105 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.916 113.6 48.2 -68.2 -45.5 -35.8 48.1 -12.5 106 106 A E H X S+ 0 0 89 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.819 112.3 49.6 -68.0 -30.3 -37.6 46.1 -15.2 107 107 A K H X S+ 0 0 66 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.918 112.5 47.4 -72.1 -41.0 -40.1 49.0 -15.5 108 108 A L H <>S+ 0 0 0 -4,-1.8 5,-1.8 -5,-0.2 3,-0.3 0.912 111.6 50.1 -64.5 -46.1 -37.3 51.5 -15.8 109 109 A K H ><5S+ 0 0 73 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.969 112.2 46.4 -55.9 -56.5 -35.4 49.5 -18.4 110 110 A S H 3<5S+ 0 0 92 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.627 98.0 69.3 -71.7 -12.3 -38.5 49.0 -20.6 111 111 A A T 3<5S- 0 0 30 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.291 128.2 -99.3 -73.7 10.1 -39.4 52.7 -20.3 112 112 A G T < 5S+ 0 0 56 -3,-1.6 2,-0.2 1,-0.2 -2,-0.2 0.472 78.4 140.4 85.3 5.2 -36.2 53.0 -22.4 113 113 A Y < - 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