==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-NOV-11 3UM9 . COMPND 2 MOLECULE: HALOACID DEHALOGENASE, TYPE II; . SOURCE 2 ORGANISM_SCIENTIFIC: POLAROMONAS SP. JS666; . AUTHOR P.W.Y.CHAN,A.SAVCHENKO,A.F.YAKUNIN,E.A.EDWARDS,E.F.PAI . 450 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 56 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.1 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 0 1 1 2 0 1 6 3 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 6 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 . 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 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 0 A G 0 0 94 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.8 -30.8 -1.6 -9.4 2 1 A M + 0 0 147 168,-0.1 168,-0.3 165,-0.0 169,-0.0 0.142 360.0 71.3 169.9 -23.5 -28.7 -3.6 -6.8 3 2 A H S S+ 0 0 138 168,-0.1 2,-0.3 2,-0.1 0, 0.0 0.620 79.1 81.7 -93.7 -19.2 -31.5 -5.7 -5.3 4 3 A A S S- 0 0 45 1,-0.1 2,-0.2 167,-0.0 166,-0.0 -0.731 83.0-102.8-104.6 140.0 -32.4 -8.2 -8.1 5 4 A I + 0 0 41 -2,-0.3 167,-0.2 1,-0.1 166,-0.2 -0.427 41.7 161.8 -59.0 126.5 -30.6 -11.5 -9.0 6 5 A K + 0 0 100 165,-2.8 108,-2.2 1,-0.3 2,-0.4 0.557 64.3 39.6-119.5 -27.8 -28.4 -11.2 -12.1 7 6 A A E -ab 114 172A 0 164,-1.9 166,-2.7 106,-0.2 2,-0.5 -0.986 60.9-150.2-131.3 140.4 -26.3 -14.3 -11.6 8 7 A V E -ab 115 173A 0 106,-2.4 108,-1.9 -2,-0.4 2,-0.5 -0.970 18.4-165.4-104.1 119.0 -26.9 -17.9 -10.4 9 8 A V E -ab 116 174A 0 164,-2.8 166,-3.3 -2,-0.5 2,-0.3 -0.935 8.0-167.2-108.8 123.2 -23.8 -19.4 -8.7 10 9 A F E -ab 117 175A 0 106,-3.0 108,-2.7 -2,-0.5 2,-0.2 -0.826 21.3-129.9-110.7 142.5 -23.7 -23.2 -8.1 11 10 A D - 0 0 6 164,-1.6 5,-0.5 -2,-0.3 108,-0.2 -0.511 22.6-146.0 -75.2 159.7 -21.6 -25.5 -6.1 12 11 A L S >>>S+ 0 0 1 106,-0.3 5,-1.8 -2,-0.2 4,-1.2 0.925 71.8 65.5 -95.9 -62.3 -20.3 -28.4 -8.2 13 12 A Y B 345S+f 17 0B 8 1,-0.3 5,-0.2 3,-0.2 -1,-0.1 -0.478 119.0 0.3 -78.3 118.9 -20.1 -31.5 -6.1 14 13 A G T 345S+ 0 0 11 3,-3.0 -1,-0.3 -2,-0.4 4,-0.1 0.331 130.5 55.7 91.0 -11.4 -23.4 -32.7 -4.9 15 14 A T T <45S+ 0 0 0 -3,-1.0 201,-0.2 2,-0.2 -3,-0.2 0.701 123.4 16.1-112.1 -53.1 -25.6 -30.0 -6.5 16 15 A L T <5S+ 0 0 0 -4,-1.2 82,-2.2 -5,-0.5 2,-0.3 0.805 134.2 33.8 -85.3 -34.3 -24.8 -30.1 -10.2 17 16 A Y B - 0 0 50 78,-2.5 3,-2.2 -2,-0.3 78,-0.5 -0.675 15.4-164.3 -85.3 104.8 -23.6 -36.8 -8.2 19 18 A V G > S+ 0 0 3 -2,-0.8 3,-0.6 1,-0.3 -1,-0.1 0.548 87.4 66.1 -64.8 -12.4 -20.6 -37.7 -6.0 20 19 A Y G > + 0 0 79 1,-0.2 3,-1.3 2,-0.1 4,-0.3 0.319 69.4 94.7 -96.0 9.1 -21.9 -41.2 -5.5 21 20 A S G X S+ 0 0 19 -3,-2.2 3,-1.4 1,-0.2 4,-0.4 0.865 78.4 65.6 -50.9 -37.4 -21.5 -41.9 -9.3 22 21 A V G <> S+ 0 0 1 -3,-0.6 4,-1.7 1,-0.3 3,-0.3 0.653 78.7 80.3 -67.4 -15.6 -18.2 -43.3 -7.9 23 22 A R H <> S+ 0 0 101 -3,-1.3 4,-2.9 1,-0.2 -1,-0.3 0.790 83.4 63.4 -56.5 -30.2 -20.0 -46.1 -6.0 24 23 A T H <> S+ 0 0 92 -3,-1.4 4,-1.6 -4,-0.3 -1,-0.2 0.970 109.7 38.2 -63.6 -47.6 -20.3 -48.1 -9.2 25 24 A S H > S+ 0 0 11 -4,-0.4 4,-0.9 -3,-0.3 -1,-0.2 0.726 113.8 53.8 -74.2 -30.0 -16.6 -48.4 -9.4 26 25 A C H >X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 3,-0.5 0.885 107.5 55.4 -65.5 -42.0 -16.0 -48.8 -5.6 27 26 A E H 3< S+ 0 0 63 -4,-2.9 -2,-0.2 1,-0.2 6,-0.2 0.936 101.2 56.3 -56.0 -44.0 -18.5 -51.7 -5.9 28 27 A R H 3< S+ 0 0 187 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 117.4 34.1 -57.4 -37.5 -16.4 -53.4 -8.6 29 28 A I H << S+ 0 0 65 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.801 130.0 33.3 -89.3 -37.5 -13.4 -53.5 -6.4 30 29 A F S >< S- 0 0 11 -4,-2.9 3,-1.9 -5,-0.1 -1,-0.3 -0.844 89.7-147.6-119.6 84.7 -15.2 -54.0 -3.1 31 30 A P T 3 S+ 0 0 94 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.287 79.1 12.5 -64.0 144.3 -18.2 -56.1 -3.9 32 31 A G T 3 S+ 0 0 67 1,-0.0 3,-0.1 -5,-0.0 -5,-0.1 0.256 116.3 76.5 82.6 -10.0 -21.3 -55.4 -1.8 33 32 A Q <> + 0 0 63 -3,-1.9 4,-1.8 -6,-0.2 5,-0.3 -0.100 49.3 113.4-130.7 28.7 -19.8 -52.2 -0.3 34 33 A G H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.908 79.9 48.3 -75.1 -41.7 -20.0 -49.5 -3.0 35 34 A E H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.952 115.5 43.3 -61.6 -51.7 -22.5 -47.3 -1.1 36 35 A M H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.853 114.1 47.4 -71.3 -40.3 -20.7 -47.3 2.1 37 36 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.929 117.9 44.5 -62.6 -45.0 -17.1 -46.8 0.8 38 37 A S H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.857 111.6 52.3 -75.0 -33.0 -18.3 -44.0 -1.3 39 38 A K H X S+ 0 0 116 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.921 115.3 42.1 -64.6 -42.9 -20.4 -42.5 1.5 40 39 A M H X S+ 0 0 59 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.913 111.8 55.8 -67.4 -39.1 -17.4 -42.5 3.8 41 40 A W H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.943 110.1 43.9 -65.4 -49.8 -15.0 -41.2 1.1 42 41 A R H X S+ 0 0 13 -4,-2.0 4,-2.5 2,-0.2 -1,-0.3 0.897 112.9 53.0 -58.7 -41.9 -17.1 -38.2 0.4 43 42 A Q H X S+ 0 0 59 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.934 113.9 41.1 -62.1 -45.1 -17.6 -37.5 4.1 44 43 A K H X S+ 0 0 29 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.841 109.7 59.4 -79.0 -25.1 -13.9 -37.6 4.9 45 44 A Q H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.953 110.5 42.5 -61.3 -50.8 -13.1 -35.7 1.7 46 45 A L H X S+ 0 0 12 -4,-2.5 4,-2.1 1,-0.2 3,-0.3 0.949 112.9 53.9 -61.1 -48.7 -15.3 -32.8 3.0 47 46 A E H X S+ 0 0 9 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.874 106.8 51.3 -54.0 -39.1 -13.8 -33.2 6.5 48 47 A Y H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.848 106.1 53.7 -72.3 -34.8 -10.3 -32.9 5.1 49 48 A T H X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.3 102,-0.3 0.953 113.2 44.9 -58.4 -45.2 -11.1 -29.7 3.3 50 49 A W H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.892 114.6 47.1 -65.3 -44.9 -12.4 -28.4 6.6 51 50 A M H X S+ 0 0 1 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.877 111.5 48.8 -67.4 -42.2 -9.4 -29.5 8.7 52 51 A R H X>S+ 0 0 10 -4,-2.2 5,-3.2 2,-0.2 4,-1.0 0.859 112.5 48.8 -66.2 -37.5 -6.8 -28.3 6.3 53 52 A T H <5S+ 0 0 14 -4,-1.7 3,-0.3 -5,-0.2 -2,-0.2 0.890 113.4 47.2 -68.1 -41.6 -8.4 -24.8 6.1 54 53 A L H <5S+ 0 0 9 -4,-2.0 327,-0.7 -5,-0.2 -2,-0.2 0.808 116.7 44.8 -69.0 -23.6 -8.7 -24.7 9.8 55 54 A M H <5S- 0 0 19 -4,-1.5 -1,-0.2 325,-0.2 -2,-0.2 0.558 110.2-115.8 -95.9 -11.1 -5.0 -25.8 10.2 56 55 A G T <5S+ 0 0 58 -4,-1.0 -3,-0.2 -3,-0.3 -4,-0.1 0.832 79.9 122.4 75.7 34.7 -3.5 -23.6 7.5 57 56 A Q < - 0 0 71 -5,-3.2 -4,-0.2 -6,-0.2 -5,-0.1 -0.360 39.9-177.6-125.1 54.5 -2.5 -26.6 5.4 58 57 A Y + 0 0 21 91,-0.2 2,-0.3 -6,-0.2 -9,-0.1 -0.202 9.1 166.2 -61.7 137.7 -4.2 -26.1 2.1 59 58 A Q - 0 0 97 -10,-0.1 -7,-0.1 1,-0.0 -2,-0.1 -0.949 42.9 -97.0-143.1 147.7 -3.7 -28.9 -0.5 60 59 A D > - 0 0 43 -2,-0.3 4,-1.2 1,-0.1 61,-0.1 -0.111 35.6-100.9 -68.3 176.1 -5.9 -29.0 -3.6 61 60 A F H > S+ 0 0 2 59,-0.4 4,-2.0 2,-0.2 60,-0.1 0.751 117.8 56.2 -68.9 -38.3 -9.1 -31.1 -3.9 62 61 A E H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 111.1 46.9 -59.9 -43.3 -7.6 -33.9 -6.0 63 62 A S H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.855 111.2 49.5 -66.8 -35.0 -5.0 -34.4 -3.3 64 63 A A H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.848 106.9 57.3 -75.1 -32.0 -7.6 -34.3 -0.6 65 64 A T H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.912 108.9 44.8 -57.0 -51.3 -9.6 -36.9 -2.5 66 65 A L H X S+ 0 0 47 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.956 112.5 51.5 -60.7 -52.7 -6.7 -39.4 -2.5 67 66 A D H X S+ 0 0 25 -4,-2.2 4,-2.3 1,-0.3 -2,-0.2 0.908 113.3 45.6 -55.6 -42.2 -6.0 -38.8 1.1 68 67 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.3 0.828 110.4 52.7 -70.3 -38.0 -9.6 -39.5 1.9 69 68 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.965 111.6 47.8 -54.9 -51.5 -9.7 -42.5 -0.3 70 69 A R H X S+ 0 0 97 -4,-3.0 4,-2.0 1,-0.2 5,-0.2 0.895 113.3 46.0 -60.5 -43.6 -6.7 -43.9 1.6 71 70 A Y H X S+ 0 0 34 -4,-2.3 4,-3.9 -5,-0.2 5,-0.2 0.939 109.8 55.6 -61.0 -46.6 -8.2 -43.1 5.0 72 71 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.892 111.8 40.5 -60.0 -44.8 -11.5 -44.6 4.1 73 72 A C H X>S+ 0 0 4 -4,-2.0 5,-3.3 2,-0.2 4,-1.3 0.903 117.4 47.4 -73.1 -45.7 -10.1 -48.0 3.0 74 73 A G H ><5S+ 0 0 32 -4,-2.0 3,-0.7 -5,-0.2 -2,-0.2 0.959 114.3 49.6 -56.7 -49.9 -7.5 -48.3 5.9 75 74 A S H 3<5S+ 0 0 42 -4,-3.9 -2,-0.2 -5,-0.2 -1,-0.2 0.849 115.2 41.7 -56.5 -42.4 -10.4 -47.3 8.2 76 75 A L H 3<5S- 0 0 50 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.546 116.2-113.5 -84.1 -11.0 -12.8 -49.9 6.8 77 76 A G T <<5 + 0 0 67 -4,-1.3 2,-0.4 -3,-0.7 -3,-0.2 0.753 67.1 143.2 90.0 28.4 -10.0 -52.6 6.7 78 77 A L < - 0 0 33 -5,-3.3 2,-0.3 -6,-0.1 -1,-0.3 -0.848 48.2-129.8-114.3 134.6 -9.9 -52.8 2.9 79 78 A A + 0 0 96 -2,-0.4 2,-0.3 -5,-0.0 -5,-0.0 -0.640 26.3 177.7 -81.7 139.5 -6.8 -53.3 0.6 80 79 A L - 0 0 35 -2,-0.3 2,-0.1 -10,-0.0 -6,-0.0 -0.965 13.9-152.8-141.9 122.1 -6.5 -50.9 -2.3 81 80 A D > - 0 0 108 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.222 35.9 -93.8 -92.4-178.5 -3.4 -51.1 -4.6 82 81 A A H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.868 126.4 51.4 -68.7 -33.5 -1.9 -48.2 -6.6 83 82 A D H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 110.2 49.0 -73.4 -41.3 -3.9 -49.1 -9.7 84 83 A G H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.928 111.8 49.8 -54.3 -51.0 -7.2 -49.1 -7.6 85 84 A E H X S+ 0 0 38 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.911 112.4 47.5 -55.2 -46.9 -6.3 -45.8 -6.1 86 85 A A H X S+ 0 0 62 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.869 114.5 44.9 -64.5 -43.2 -5.5 -44.3 -9.5 87 86 A H H X S+ 0 0 60 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.906 112.2 49.0 -73.7 -45.1 -8.7 -45.5 -11.1 88 87 A L H X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.888 114.5 48.5 -63.0 -39.3 -11.1 -44.6 -8.3 89 88 A C H >< S+ 0 0 28 -4,-2.1 3,-1.3 -5,-0.3 4,-0.3 0.916 106.1 54.2 -63.3 -46.3 -9.6 -41.1 -8.2 90 89 A S H >< S+ 0 0 54 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.870 100.8 65.5 -58.0 -30.5 -9.8 -40.6 -12.0 91 90 A E H >< S+ 0 0 49 -4,-1.6 3,-1.1 1,-0.3 -1,-0.2 0.712 87.6 64.4 -63.4 -28.7 -13.5 -41.5 -11.5 92 91 A Y T << S+ 0 0 5 -3,-1.3 3,-0.4 -4,-0.6 -1,-0.3 0.563 95.5 62.7 -63.6 -12.3 -14.2 -38.3 -9.4 93 92 A L T < S+ 0 0 33 -3,-1.7 39,-0.3 -4,-0.3 -1,-0.2 0.463 104.9 45.0 -91.6 -11.5 -13.3 -36.4 -12.6 94 93 A S S < S+ 0 0 51 -3,-1.1 -1,-0.2 -4,-0.1 2,-0.2 -0.468 73.8 158.6-129.0 56.5 -16.3 -37.9 -14.5 95 94 A L - 0 0 6 -3,-0.4 -76,-0.1 1,-0.1 -3,-0.1 -0.600 45.0-110.1 -69.6 144.5 -19.2 -37.7 -12.1 96 95 A T - 0 0 86 -78,-0.5 -78,-2.5 -2,-0.2 2,-0.1 -0.605 29.0-118.2 -71.0 138.3 -22.7 -37.8 -13.8 97 96 A P B -G 17 0B 37 0, 0.0 -80,-0.3 0, 0.0 -81,-0.1 -0.444 34.6-100.2 -68.3 146.3 -24.8 -34.7 -13.9 98 97 A F > - 0 0 38 -82,-2.2 3,-1.0 -2,-0.1 -83,-0.0 -0.345 38.1-115.2 -63.7 151.9 -28.2 -34.8 -12.1 99 98 A A T 3 S+ 0 0 84 1,-0.2 4,-0.4 2,-0.1 -1,-0.1 0.842 111.6 51.2 -71.2 -30.5 -30.8 -35.3 -14.8 100 99 A D T 3> S+ 0 0 36 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.683 92.0 85.0 -69.9 -18.4 -32.6 -31.9 -14.4 101 100 A V H <> S+ 0 0 0 -3,-1.0 4,-2.4 1,-0.2 5,-0.2 0.873 82.1 48.9 -66.6 -49.6 -29.4 -29.9 -14.6 102 101 A P H > S+ 0 0 38 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.958 118.0 39.1 -55.3 -50.5 -28.8 -29.4 -18.4 103 102 A Q H > S+ 0 0 111 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.912 114.2 56.3 -68.8 -36.1 -32.3 -28.2 -19.2 104 103 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.925 108.0 48.9 -57.8 -42.2 -32.4 -26.1 -15.9 105 104 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.849 107.1 52.6 -70.9 -40.0 -29.2 -24.4 -17.0 106 105 A Q H X S+ 0 0 83 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.929 111.5 48.6 -58.1 -45.6 -30.4 -23.5 -20.5 107 106 A Q H X S+ 0 0 112 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.863 107.6 53.6 -67.4 -35.3 -33.5 -21.9 -19.0 108 107 A L H <>S+ 0 0 0 -4,-1.9 5,-1.8 -5,-0.2 -1,-0.2 0.940 114.1 42.7 -61.7 -45.6 -31.5 -19.9 -16.4 109 108 A R H ><5S+ 0 0 78 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.860 111.4 54.9 -67.0 -38.1 -29.5 -18.5 -19.3 110 109 A A H 3<5S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.759 100.1 60.3 -63.7 -30.6 -32.6 -18.0 -21.4 111 110 A A T 3<5S- 0 0 17 -4,-1.6 -1,-0.3 -5,-0.2 113,-0.2 0.284 127.0-103.8 -80.7 11.3 -34.1 -16.0 -18.5 112 111 A G T < 5S+ 0 0 64 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.619 74.4 141.2 81.8 14.9 -31.0 -13.6 -19.1 113 112 A L < - 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