==== 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 07-MAR-08 3CH7 . COMPND 2 MOLECULE: 6-PHOSPHOGLUCONOLACTONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA BRAZILIENSIS; . AUTHOR T.L.ARAKAKI,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PR . 266 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 0 1 0 2 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 2 A T 0 0 98 0, 0.0 232,-0.1 0, 0.0 233,-0.0 0.000 360.0 360.0 360.0 1.5 7.7 19.9 9.1 2 3 A S + 0 0 132 244,-0.1 2,-0.7 0, 0.0 0, 0.0 0.263 360.0 97.5-103.0 -4.6 9.8 22.9 7.9 3 4 A F + 0 0 31 230,-0.1 243,-0.1 228,-0.0 244,-0.1 -0.782 49.7 171.3 -87.0 111.8 9.3 21.1 4.5 4 5 A A - 0 0 89 -2,-0.7 248,-0.2 242,-0.1 -1,-0.0 -0.669 9.7-173.0-127.0 73.5 6.4 22.8 2.7 5 6 A P - 0 0 30 0, 0.0 2,-0.4 0, 0.0 248,-0.2 -0.297 27.4-119.5 -63.7 148.9 6.1 21.5 -0.9 6 7 A T E -a 253 0A 87 246,-2.7 248,-2.6 2,-0.0 2,-0.4 -0.784 33.2-165.0 -81.9 131.4 3.7 23.1 -3.4 7 8 A V E +a 254 0A 42 -2,-0.4 2,-0.4 246,-0.2 248,-0.2 -0.990 12.8 176.5-127.4 122.6 1.3 20.4 -4.5 8 9 A K E -a 255 0A 79 246,-2.3 248,-2.3 -2,-0.4 2,-0.5 -0.978 18.9-150.8-130.5 114.3 -1.0 20.7 -7.6 9 10 A I E -a 256 0A 50 -2,-0.4 2,-0.4 246,-0.2 248,-0.2 -0.766 21.7-151.3 -86.2 119.1 -3.3 17.9 -8.7 10 11 A C - 0 0 0 246,-4.2 251,-0.1 -2,-0.5 3,-0.0 -0.868 15.3-147.8-105.3 137.9 -3.6 18.2 -12.4 11 12 A E S S+ 0 0 155 -2,-0.4 2,-0.3 246,-0.2 -1,-0.1 0.868 82.8 6.6 -69.5 -40.4 -6.7 17.1 -14.3 12 13 A N S >> S- 0 0 83 245,-0.1 4,-1.8 246,-0.0 3,-0.6 -0.875 79.8-102.5-140.2 167.9 -4.7 16.2 -17.5 13 14 A L H 3> S+ 0 0 49 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.776 118.0 62.4 -65.6 -25.3 -1.0 15.9 -18.6 14 15 A S H 3> S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.855 103.9 46.7 -66.7 -37.0 -1.4 19.2 -20.5 15 16 A Q H <> S+ 0 0 53 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.905 113.5 50.4 -70.8 -43.1 -2.1 21.1 -17.2 16 17 A M H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.933 112.4 45.4 -57.0 -52.6 0.9 19.2 -15.7 17 18 A S H X S+ 0 0 10 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.909 113.6 51.0 -65.9 -33.0 3.2 20.2 -18.6 18 19 A F H X S+ 0 0 109 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.904 107.5 50.9 -69.2 -43.0 1.9 23.8 -18.4 19 20 A A H X S+ 0 0 18 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.942 111.6 49.7 -58.2 -44.6 2.5 24.2 -14.7 20 21 A A H >X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 3,-0.6 0.915 107.7 54.0 -60.1 -42.3 6.1 22.9 -15.2 21 22 A R H 3X S+ 0 0 30 -4,-2.1 4,-3.0 1,-0.3 -1,-0.2 0.838 103.5 55.7 -63.9 -38.2 6.7 25.4 -18.1 22 23 A E H 3X S+ 0 0 78 -4,-1.8 4,-1.6 2,-0.2 -1,-0.3 0.794 105.5 51.3 -64.3 -30.8 5.7 28.3 -16.0 23 24 A V H < S+ 0 0 6 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.879 114.7 46.1 -63.3 -42.0 14.6 32.5 -16.8 29 30 A D H 3< S+ 0 0 124 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.828 106.5 59.4 -70.3 -33.0 12.7 35.8 -16.5 30 31 A A T 3< S+ 0 0 72 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.563 77.3 117.4 -77.5 -8.5 13.8 36.3 -12.9 31 32 A R < - 0 0 49 -3,-0.6 3,-0.2 -4,-0.4 7,-0.0 -0.338 45.7-166.9 -63.1 138.9 17.5 36.4 -13.8 32 33 A V S S+ 0 0 147 1,-0.3 2,-1.0 -2,-0.0 -1,-0.1 0.898 85.3 49.4 -87.3 -55.4 19.3 39.6 -13.1 33 34 A D > - 0 0 101 1,-0.1 3,-1.1 2,-0.0 -1,-0.3 -0.752 69.6-174.4 -84.2 103.4 22.5 38.7 -15.0 34 35 A K T 3 S+ 0 0 109 -2,-1.0 -1,-0.1 1,-0.2 -3,-0.0 0.352 74.6 76.7 -78.7 4.1 21.0 37.6 -18.4 35 36 A S T 3 S+ 0 0 106 2,-0.1 -1,-0.2 32,-0.0 -2,-0.0 0.648 87.3 69.3 -85.7 -17.3 24.5 36.6 -19.5 36 37 A V S < S- 0 0 64 -3,-1.1 2,-0.1 31,-0.0 -5,-0.0 -0.872 83.3-130.0-105.9 134.1 24.3 33.5 -17.3 37 38 A P - 0 0 38 0, 0.0 2,-0.5 0, 0.0 31,-0.3 -0.307 18.9-109.7 -80.6 160.3 21.9 30.6 -18.2 38 39 A V E -b 68 0A 3 29,-2.7 31,-3.0 -2,-0.1 2,-0.5 -0.802 35.1-131.9 -85.3 127.4 19.4 28.8 -15.9 39 40 A V E -b 69 0A 2 -2,-0.5 118,-2.0 29,-0.2 117,-0.7 -0.809 28.7-174.0 -85.2 125.1 20.7 25.3 -15.3 40 41 A L E -bc 70 157A 1 29,-3.1 31,-2.0 -2,-0.5 2,-0.5 -0.990 14.9-155.0-124.2 123.6 18.0 22.8 -16.0 41 42 A A E -bc 71 158A 0 116,-2.1 118,-2.5 -2,-0.4 2,-0.2 -0.872 20.7-144.9 -96.9 129.6 18.3 19.0 -15.3 42 43 A L E -b 72 0A 3 29,-2.6 31,-2.7 -2,-0.5 32,-0.5 -0.593 6.5-150.9 -99.9 149.0 15.9 16.9 -17.5 43 44 A S - 0 0 11 -2,-0.2 2,-0.1 29,-0.1 117,-0.1 -0.670 16.6-123.7-105.6 166.4 14.0 13.8 -16.7 44 45 A G + 0 0 20 -2,-0.2 3,-0.2 125,-0.0 -1,-0.1 -0.354 54.9 63.8-100.3-177.6 13.0 10.9 -19.0 45 46 A G S > S- 0 0 34 1,-0.2 4,-1.7 2,-0.1 -2,-0.1 0.080 91.8 -64.6 86.3 166.5 9.6 9.2 -19.9 46 47 A S H > S+ 0 0 87 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.752 122.0 71.4 -58.1 -24.8 6.3 10.1 -21.6 47 48 A T H > S+ 0 0 40 1,-0.2 4,-0.6 -3,-0.2 3,-0.5 0.977 109.6 26.7 -61.7 -63.3 5.6 12.5 -18.7 48 49 A P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.675 101.1 86.3 -74.6 -19.6 8.2 15.1 -19.6 49 50 A K H X S+ 0 0 91 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.909 94.7 46.0 -42.7 -42.8 8.2 14.3 -23.4 50 51 A R H X S+ 0 0 91 -4,-1.0 4,-2.4 -3,-0.5 -1,-0.2 0.857 107.1 53.1 -74.4 -43.3 5.3 16.7 -23.6 51 52 A L H X S+ 0 0 0 -4,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.902 111.1 49.5 -54.4 -46.8 6.7 19.5 -21.6 52 53 A Y H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.924 109.0 52.1 -63.9 -38.9 9.7 19.3 -23.9 53 54 A E H X S+ 0 0 68 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.929 109.4 51.0 -58.0 -40.1 7.4 19.4 -27.0 54 55 A E H X S+ 0 0 61 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.816 108.6 49.4 -69.0 -34.7 5.8 22.5 -25.6 55 56 A L H X S+ 0 0 6 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.861 109.8 52.4 -72.5 -37.7 9.0 24.3 -25.0 56 57 A H H X S+ 0 0 16 -4,-2.1 4,-0.7 37,-0.2 -2,-0.2 0.972 114.9 41.8 -60.2 -48.2 10.1 23.5 -28.5 57 58 A E H < S+ 0 0 134 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.943 129.4 25.7 -65.2 -44.5 6.9 25.0 -29.9 58 59 A K H < S+ 0 0 134 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.791 126.2 30.0 -94.2 -31.5 6.7 28.0 -27.7 59 60 A D H X + 0 0 21 -4,-2.5 4,-1.7 -5,-0.3 3,-0.3 0.174 68.0 118.5-127.0 20.7 10.2 29.1 -26.4 60 61 A L H X S+ 0 0 37 -4,-0.7 4,-3.1 1,-0.2 5,-0.2 0.819 74.3 62.7 -56.6 -39.5 12.9 28.2 -28.9 61 62 A A H > S+ 0 0 74 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.952 107.2 43.4 -53.8 -52.6 13.9 31.8 -29.4 62 63 A L H 4>S+ 0 0 65 -3,-0.3 5,-1.9 1,-0.2 3,-0.5 0.909 115.4 50.0 -54.3 -45.9 14.9 32.0 -25.6 63 64 A L H ><5S+ 0 0 6 -4,-1.7 3,-1.2 1,-0.2 5,-0.3 0.861 108.2 51.6 -65.0 -36.8 16.6 28.7 -25.9 64 65 A Q H 3<5S+ 0 0 88 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.684 103.7 60.0 -75.6 -15.2 18.6 29.7 -29.0 65 66 A Q T 3<5S- 0 0 152 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 -0.012 121.5-110.4 -95.3 24.1 19.7 32.8 -27.0 66 67 A H T < 5 + 0 0 91 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.738 68.8 147.3 53.6 31.8 21.3 30.4 -24.5 67 68 A A < + 0 0 2 -5,-1.9 -29,-2.7 -30,-0.1 2,-0.3 0.758 65.9 41.6 -62.8 -24.9 18.8 31.2 -21.7 68 69 A V E -b 38 0A 0 -31,-0.3 2,-0.4 -5,-0.3 -29,-0.2 -0.923 63.5-153.7-130.1 143.0 19.1 27.6 -20.4 69 70 A Q E -b 39 0A 23 -31,-3.0 -29,-3.1 -2,-0.3 2,-0.4 -0.998 26.5-149.8-114.8 126.4 21.9 25.1 -19.9 70 71 A F E +bd 40 103A 3 32,-2.7 34,-2.6 -2,-0.4 2,-0.3 -0.749 20.5 169.9-106.4 135.7 20.6 21.5 -20.1 71 72 A I E -b 41 0A 2 -31,-2.0 -29,-2.6 -2,-0.4 2,-0.5 -0.935 36.5-113.3-134.8 155.4 21.9 18.5 -18.3 72 73 A L E -b 42 0A 5 -2,-0.3 -29,-0.1 32,-0.3 3,-0.1 -0.832 17.0-156.7 -86.4 126.4 20.5 15.0 -18.0 73 74 A G S S- 0 0 5 -31,-2.7 130,-2.6 -2,-0.5 2,-0.3 0.774 79.3 -2.7 -73.9 -31.3 19.5 14.2 -14.4 74 75 A D E S-G 202 0B 14 -32,-0.5 2,-0.3 128,-0.2 -1,-0.2 -0.977 70.9-163.8-155.9 155.6 19.8 10.5 -15.1 75 76 A E E -G 201 0B 0 126,-2.3 126,-1.8 -2,-0.3 2,-0.3 -0.997 22.9-124.6-148.6 147.1 20.6 8.4 -18.0 76 77 A R E -G 200 0B 47 -2,-0.3 2,-2.2 124,-0.2 124,-0.2 -0.711 36.4-119.6 -80.0 134.1 20.4 4.8 -19.3 77 78 A L S S+ 0 0 0 122,-2.5 2,-0.3 -2,-0.3 122,-0.2 -0.503 74.6 118.9 -83.8 72.6 23.9 3.6 -20.4 78 79 A L S S- 0 0 8 -2,-2.2 30,-0.1 1,-0.1 34,-0.1 -0.855 77.5 -77.0-127.8 157.1 22.8 3.0 -23.9 79 80 A S - 0 0 42 -2,-0.3 9,-0.2 1,-0.1 3,-0.1 -0.211 42.3-120.3 -48.7 154.0 23.9 4.5 -27.1 80 81 A E S S+ 0 0 76 1,-0.2 -1,-0.1 7,-0.1 5,-0.1 0.712 114.6 53.5 -80.6 -13.7 22.6 8.0 -27.6 81 82 A D S S+ 0 0 135 7,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.717 84.5 107.1 -80.0 -34.2 20.8 7.0 -30.8 82 83 A D S > S- 0 0 53 1,-0.1 3,-1.2 -3,-0.1 6,-0.3 -0.255 74.0-137.4 -47.4 133.2 19.2 4.2 -28.9 83 84 A E T 3 S+ 0 0 135 1,-0.3 6,-0.3 5,-0.1 -1,-0.1 0.710 98.3 65.6 -75.1 -22.5 15.5 5.1 -28.5 84 85 A Q T 3 S+ 0 0 98 4,-0.1 2,-0.3 -5,-0.1 -1,-0.3 0.286 82.8 97.2 -79.0 9.0 15.5 3.9 -24.9 85 86 A S S <> S- 0 0 2 -3,-1.2 4,-1.8 -6,-0.1 5,-0.1 -0.749 76.8-132.9 -97.9 149.2 17.9 6.6 -23.8 86 87 A N H > S+ 0 0 4 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.727 106.8 59.5 -68.3 -31.6 16.7 9.9 -22.3 87 88 A F H > S+ 0 0 40 2,-0.2 4,-1.7 -11,-0.2 -1,-0.2 0.893 105.0 49.2 -61.5 -43.2 18.9 11.9 -24.6 88 89 A S H >> S+ 0 0 10 -6,-0.3 4,-2.8 2,-0.2 3,-1.1 0.997 113.0 46.6 -57.6 -58.3 17.1 10.4 -27.6 89 90 A M H 3X S+ 0 0 25 -4,-1.8 4,-2.1 1,-0.3 -2,-0.2 0.872 116.4 44.8 -46.4 -50.9 13.7 11.2 -26.2 90 91 A A H 3X>S+ 0 0 1 -4,-2.3 5,-2.9 2,-0.2 4,-1.9 0.708 111.1 53.5 -71.5 -28.1 14.8 14.7 -25.3 91 92 A T H <<>S+ 0 0 35 -4,-1.7 5,-1.9 -3,-1.1 6,-0.2 0.941 109.5 46.7 -73.6 -51.1 16.5 15.2 -28.6 92 93 A K H <5S+ 0 0 117 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.1 0.966 119.4 42.2 -49.2 -50.5 13.4 14.3 -30.7 93 94 A A H <5S- 0 0 8 -4,-2.1 -2,-0.2 -5,-0.3 -37,-0.2 0.872 141.2 -29.5 -69.7 -43.2 11.1 16.5 -28.4 94 95 A L T ><5S+ 0 0 1 -4,-1.9 3,-1.7 -5,-0.2 -3,-0.2 0.631 115.4 73.8-142.6 -45.4 13.4 19.6 -28.0 95 96 A L G > - 0 0 36 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.226 29.3-133.1 -50.6 133.6 22.5 25.0 -29.6 100 101 A S G > S+ 0 0 111 1,-0.3 3,-0.9 2,-0.2 5,-0.1 0.686 105.3 66.4 -63.4 -18.4 24.7 22.0 -28.9 101 102 A S G 3 S+ 0 0 92 1,-0.2 -1,-0.3 3,-0.1 3,-0.0 0.498 95.0 57.5 -79.9 -9.0 26.8 24.3 -26.7 102 103 A D G < S+ 0 0 10 -3,-1.8 -32,-2.7 -33,-0.1 2,-0.4 0.394 97.2 72.2-102.1 0.4 23.9 24.6 -24.3 103 104 A V B < S-d 70 0A 25 -3,-0.9 2,-0.5 -34,-0.2 -32,-0.2 -0.961 71.4-143.9-123.0 129.9 23.6 20.9 -23.6 104 105 A I - 0 0 17 -34,-2.6 -32,-0.3 -2,-0.4 2,-0.2 -0.835 25.3-148.4 -91.9 130.7 26.1 18.9 -21.6 105 106 A S - 0 0 52 -2,-0.5 2,-0.5 -34,-0.1 30,-0.1 -0.606 6.0-138.8-102.7 158.3 26.6 15.5 -23.0 106 107 A I - 0 0 2 -2,-0.2 2,-0.7 29,-0.0 23,-0.1 -0.965 12.3-143.2-113.6 130.2 27.4 12.2 -21.4 107 108 A D + 0 0 57 -2,-0.5 3,-0.2 21,-0.2 25,-0.1 -0.832 20.4 177.7 -95.5 120.0 29.8 9.8 -23.0 108 109 A R >> + 0 0 8 -2,-0.7 3,-2.1 1,-0.2 4,-1.3 0.455 47.9 103.2-101.7 -3.3 28.6 6.2 -22.5 109 110 A R H 3> S+ 0 0 186 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.819 72.8 63.1 -58.8 -34.5 31.2 4.2 -24.4 110 111 A A H 34 S+ 0 0 64 -3,-0.2 -1,-0.3 1,-0.2 15,-0.1 0.853 115.3 36.4 -58.3 -20.2 33.1 3.0 -21.3 111 112 A A H X> S+ 0 0 0 -3,-2.1 3,-2.5 13,-0.2 4,-1.5 0.766 89.8 85.8-102.7 -28.3 29.7 1.3 -20.4 112 113 A L H 3< S+ 0 0 71 -4,-1.3 4,-0.2 1,-0.3 -1,-0.1 0.751 86.9 57.5 -55.9 -27.1 28.1 -0.0 -23.6 113 114 A A T 3< S+ 0 0 105 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.645 127.4 13.8 -75.6 -17.5 30.1 -3.3 -23.6 114 115 A T T X4 S+ 0 0 42 -3,-2.5 3,-1.6 7,-0.1 -2,-0.2 0.371 90.2 108.4-139.3 4.1 28.8 -4.3 -20.2 115 116 A S T 3< S+ 0 0 3 -4,-1.5 84,-2.5 1,-0.3 -38,-0.2 0.579 81.5 50.8 -77.9 -11.2 25.9 -2.1 -19.2 116 117 A K T 3 S+ 0 0 135 82,-0.2 2,-0.6 -4,-0.2 -1,-0.3 0.332 86.5 95.9-103.8 1.4 23.1 -4.7 -19.5 117 118 A D <> - 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