==== 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 10-APR-08 3CSS . COMPND 2 MOLECULE: 6-PHOSPHOGLUCONOLACTONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA BRAZILIENSIS; . AUTHOR T.L.ARAKAKI,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PR . 264 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.7 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 . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 24.6 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 1 1 0 2 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 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 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 4 A F 0 0 95 0, 0.0 243,-0.1 0, 0.0 244,-0.1 0.000 360.0 360.0 360.0 120.7 26.0 23.8 54.8 2 5 A A - 0 0 97 242,-0.1 248,-0.3 2,-0.0 2,-0.1 -0.674 360.0-176.0-140.9 78.2 28.8 22.0 53.0 3 6 A P - 0 0 30 0, 0.0 2,-0.4 0, 0.0 248,-0.2 -0.436 29.2-118.5 -76.4 151.0 29.2 23.2 49.3 4 7 A T E -a 251 0A 86 246,-2.5 248,-2.9 -2,-0.1 2,-0.5 -0.749 32.1-164.1 -76.8 133.2 31.5 21.7 46.8 5 8 A V E -a 252 0A 38 -2,-0.4 2,-0.5 246,-0.2 248,-0.2 -0.987 10.4-179.5-125.0 123.8 33.9 24.5 45.7 6 9 A K E -a 253 0A 88 246,-2.8 248,-2.6 -2,-0.5 2,-0.8 -0.971 14.2-155.4-126.0 112.4 36.1 24.1 42.6 7 10 A I E -a 254 0A 49 -2,-0.5 248,-0.2 246,-0.2 2,-0.2 -0.826 18.5-162.6 -89.1 115.4 38.4 26.9 41.6 8 11 A C - 0 0 1 246,-4.0 251,-0.1 -2,-0.8 3,-0.1 -0.488 23.1-135.1 -97.1 157.8 38.9 26.6 37.9 9 12 A E S S- 0 0 141 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.682 83.6 -8.3 -82.4 -23.4 41.8 28.2 35.9 10 13 A N S > S- 0 0 81 244,-0.1 4,-1.8 245,-0.1 -1,-0.2 -0.960 79.0 -87.2-165.7 175.0 39.5 29.4 33.1 11 14 A L H > S+ 0 0 42 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.746 117.3 63.2 -74.4 -23.5 36.0 29.3 31.7 12 15 A S H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.948 108.1 42.7 -59.7 -48.9 36.7 26.1 29.6 13 16 A Q H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.888 113.7 52.2 -65.1 -40.7 37.3 24.2 32.8 14 17 A M H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.935 110.8 46.8 -60.5 -47.0 34.3 25.8 34.5 15 18 A S H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.897 111.5 50.9 -65.0 -40.6 32.0 24.8 31.6 16 19 A F H X S+ 0 0 102 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.893 109.6 51.3 -63.1 -41.3 33.3 21.2 31.5 17 20 A A H X S+ 0 0 20 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.891 110.6 47.5 -63.8 -40.4 32.7 20.9 35.3 18 21 A A H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 3,-0.2 0.918 109.7 54.4 -66.4 -43.1 29.1 22.1 35.0 19 22 A R H X S+ 0 0 41 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.905 103.9 55.1 -56.8 -44.1 28.5 19.7 32.1 20 23 A E H X S+ 0 0 105 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.876 106.0 51.3 -58.3 -40.8 29.7 16.8 34.2 21 24 A V H X S+ 0 0 40 -4,-1.4 4,-2.1 -3,-0.2 -1,-0.2 0.940 111.5 47.5 -61.8 -46.4 27.2 17.5 36.9 22 25 A I H X S+ 0 0 3 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.943 113.7 46.6 -59.9 -49.0 24.4 17.7 34.3 23 26 A L H X S+ 0 0 32 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.844 109.5 55.1 -65.1 -33.4 25.4 14.4 32.6 24 27 A A H X S+ 0 0 59 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.920 108.6 48.0 -62.8 -45.2 25.8 12.7 36.0 25 28 A A H < S+ 0 0 19 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.875 113.0 48.6 -64.1 -38.5 22.2 13.6 36.9 26 29 A I H >< S+ 0 0 8 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.917 115.2 43.3 -67.4 -45.7 21.0 12.3 33.5 27 30 A D H 3< S+ 0 0 124 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.783 108.6 60.3 -71.0 -27.3 22.9 9.0 33.8 28 31 A A T 3< S+ 0 0 73 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.508 75.2 121.5 -80.8 -5.3 21.8 8.6 37.5 29 32 A R < - 0 0 46 -3,-0.8 3,-0.2 -4,-0.4 7,-0.0 -0.376 48.7-161.1 -58.4 131.3 18.1 8.5 36.7 30 33 A V S S+ 0 0 153 1,-0.2 2,-0.8 -2,-0.1 -1,-0.2 0.939 88.5 48.0 -72.5 -53.2 16.4 5.3 37.9 31 34 A D S > S- 0 0 83 1,-0.1 3,-1.3 4,-0.0 -1,-0.2 -0.807 70.8-170.4 -92.1 105.8 13.4 5.9 35.5 32 35 A K T 3 S+ 0 0 112 -2,-0.8 -1,-0.1 1,-0.3 -3,-0.1 0.468 79.5 68.6 -77.2 -2.4 14.9 6.8 32.1 33 36 A S T 3 S+ 0 0 97 2,-0.1 -1,-0.3 32,-0.0 -2,-0.0 0.410 89.1 71.6 -95.3 -0.9 11.5 7.8 30.8 34 37 A V S < S- 0 0 68 -3,-1.3 -3,-0.0 31,-0.0 -5,-0.0 -0.965 84.0-124.0-116.4 132.4 11.3 10.9 33.0 35 38 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 31,-0.3 -0.258 15.4-112.6 -76.1 159.8 13.4 13.9 32.3 36 39 A V E -b 66 0A 4 29,-3.0 31,-3.1 117,-0.0 2,-0.6 -0.757 34.2-131.2 -76.4 131.4 16.0 15.8 34.4 37 40 A V E -b 67 0A 1 -2,-0.4 118,-2.3 29,-0.2 117,-0.8 -0.831 28.4-173.0 -91.1 120.2 14.5 19.3 35.1 38 41 A L E -bc 68 155A 0 29,-2.7 31,-2.2 -2,-0.6 2,-0.6 -0.967 14.8-154.4-118.0 123.7 17.3 21.9 34.4 39 42 A A E -bc 69 156A 0 116,-2.8 118,-2.7 -2,-0.5 31,-0.2 -0.887 21.7-140.6 -97.9 117.9 16.8 25.6 35.1 40 43 A L E -b 70 0A 2 29,-3.2 31,-2.5 -2,-0.6 32,-0.5 -0.483 7.3-143.5 -78.9 140.5 19.1 27.6 32.8 41 44 A S - 0 0 8 -2,-0.2 117,-0.1 29,-0.1 2,-0.1 -0.587 16.4-152.8 -93.9 167.8 21.0 30.7 33.9 42 45 A G + 0 0 17 -2,-0.2 3,-0.4 115,-0.1 2,-0.2 -0.210 50.2 77.7-122.7-148.2 21.6 33.7 31.8 43 46 A G S S- 0 0 31 1,-0.2 44,-0.0 39,-0.1 -2,-0.0 -0.560 100.0 -65.9 67.8-146.5 24.0 36.6 31.3 44 47 A S S > S+ 0 0 84 -2,-0.2 3,-0.7 2,-0.1 4,-0.5 0.522 113.9 83.1-115.5 -20.4 27.1 35.5 29.4 45 48 A T T > S+ 0 0 44 -3,-0.4 3,-0.6 1,-0.2 4,-0.4 0.927 95.4 42.0 -58.3 -48.3 28.9 33.0 31.8 46 49 A P T 3> S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.513 87.6 94.1 -80.9 -4.0 26.8 29.8 30.9 47 50 A K H <> S+ 0 0 88 -3,-0.7 4,-2.2 1,-0.2 5,-0.2 0.912 85.8 48.8 -53.5 -45.4 26.8 30.5 27.1 48 51 A R H <> S+ 0 0 97 -3,-0.6 4,-2.3 -4,-0.5 -1,-0.2 0.913 108.3 53.9 -67.8 -35.7 29.9 28.3 26.6 49 52 A L H > S+ 0 0 0 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.933 109.2 49.0 -55.3 -49.7 28.3 25.5 28.7 50 53 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.905 110.0 51.0 -59.2 -42.3 25.3 25.6 26.4 51 54 A E H X S+ 0 0 85 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.896 110.4 49.9 -61.1 -41.7 27.5 25.5 23.3 52 55 A E H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 5,-0.4 0.919 109.4 50.3 -66.8 -43.9 29.3 22.5 24.7 53 56 A L H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.900 109.8 52.9 -56.9 -40.4 26.1 20.6 25.4 54 57 A H H < S+ 0 0 17 -4,-2.3 4,-0.4 37,-0.2 -2,-0.2 0.897 114.7 40.3 -62.4 -40.7 25.0 21.4 21.9 55 58 A E H < S+ 0 0 135 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.845 129.9 24.2 -76.5 -34.9 28.1 19.9 20.4 56 59 A K H < S+ 0 0 142 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.755 128.8 30.3-105.6 -31.9 28.5 16.9 22.6 57 60 A D S X S+ 0 0 15 -4,-2.2 4,-1.5 -5,-0.4 3,-0.5 0.154 72.6 117.8-124.2 18.3 25.2 15.9 24.1 58 61 A L H > S+ 0 0 34 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.832 74.1 60.0 -62.6 -34.0 22.5 16.9 21.5 59 62 A A H > S+ 0 0 61 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.906 103.9 48.8 -59.4 -46.7 21.4 13.2 21.1 60 63 A L H 4>S+ 0 0 62 -3,-0.5 5,-1.9 1,-0.2 -1,-0.2 0.890 113.2 48.8 -60.3 -39.0 20.4 12.8 24.7 61 64 A L H ><5S+ 0 0 6 -4,-1.5 3,-1.9 1,-0.2 5,-0.2 0.882 106.2 54.0 -72.4 -39.1 18.5 16.1 24.5 62 65 A Q H 3<5S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.727 104.0 59.1 -66.9 -18.8 16.6 15.2 21.3 63 66 A Q T 3<5S- 0 0 129 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.233 122.3-110.8 -88.8 9.2 15.6 12.0 23.3 64 67 A H T < 5 + 0 0 90 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.766 69.8 145.1 68.9 31.6 13.9 14.3 25.9 65 68 A A < + 0 0 2 -5,-1.9 -29,-3.0 -30,-0.1 2,-0.4 0.765 65.4 45.6 -66.5 -26.2 16.5 13.5 28.7 66 69 A V E -b 36 0A 1 -31,-0.3 2,-0.6 -5,-0.2 -29,-0.2 -0.965 63.8-154.6-126.3 134.7 16.1 17.2 29.9 67 70 A Q E -b 37 0A 25 -31,-3.1 -29,-2.7 -2,-0.4 2,-0.4 -0.967 28.3-150.3-102.6 117.6 13.2 19.5 30.6 68 71 A F E +bd 38 101A 2 32,-3.0 34,-2.7 -2,-0.6 2,-0.3 -0.726 22.1 168.7 -96.7 135.1 14.5 23.0 30.3 69 72 A I E -b 39 0A 2 -31,-2.2 -29,-3.2 -2,-0.4 2,-0.6 -0.944 37.3-114.1-132.9 156.6 13.2 26.1 32.1 70 73 A L E -b 40 0A 7 32,-0.4 -29,-0.1 -2,-0.3 3,-0.1 -0.831 16.9-156.0 -89.8 121.2 14.6 29.6 32.4 71 74 A G S S- 0 0 4 -31,-2.5 130,-2.9 -2,-0.6 97,-0.3 0.767 79.3 -4.5 -67.8 -25.4 15.6 30.3 36.0 72 75 A D E S-G 200 0B 14 -32,-0.5 2,-0.3 128,-0.2 128,-0.2 -0.962 70.6-162.7-158.6 162.5 15.2 34.0 35.4 73 76 A E E -G 199 0B 0 126,-2.5 126,-1.8 -2,-0.3 2,-0.4 -0.997 23.5-123.5-152.9 143.3 14.5 36.2 32.4 74 77 A R E -G 198 0B 32 -2,-0.3 2,-2.7 124,-0.2 124,-0.2 -0.747 37.6-120.7 -78.9 130.4 14.7 39.8 31.2 75 78 A L S S+ 0 0 0 122,-2.7 2,-0.3 -2,-0.4 122,-0.2 -0.369 74.0 115.2 -81.1 67.1 11.3 40.9 30.1 76 79 A L S S- 0 0 9 -2,-2.7 30,-0.1 1,-0.1 34,-0.1 -0.751 78.1 -72.0-118.8 168.7 12.3 41.7 26.6 77 80 A S > - 0 0 38 -2,-0.3 3,-1.4 1,-0.1 9,-0.2 -0.254 43.4-114.6 -59.2 151.7 11.1 40.0 23.4 78 81 A E T 3 S+ 0 0 78 1,-0.3 -1,-0.1 7,-0.1 5,-0.1 0.773 119.3 51.1 -57.3 -29.6 12.4 36.4 22.7 79 82 A D T 3 S+ 0 0 136 6,-0.1 2,-0.3 7,-0.1 -1,-0.3 0.463 83.2 111.2 -89.9 0.2 14.3 37.7 19.7 80 83 A D S X S- 0 0 47 -3,-1.4 3,-2.0 1,-0.1 6,-0.4 -0.606 70.9-137.2 -73.1 129.5 15.9 40.5 21.7 81 84 A E T 3 S+ 0 0 146 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.730 101.0 59.6 -65.9 -21.8 19.6 39.7 22.0 82 85 A Q T 3 S+ 0 0 106 4,-0.1 2,-0.3 -5,-0.1 -1,-0.3 0.347 83.4 101.8 -90.6 7.5 19.6 40.6 25.7 83 86 A S S <> S- 0 0 1 -3,-2.0 4,-1.8 -6,-0.2 5,-0.1 -0.685 75.0-134.7 -82.3 146.9 17.0 38.0 26.6 84 87 A N H > S+ 0 0 3 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.847 106.5 60.3 -67.1 -33.4 18.3 34.8 28.2 85 88 A F H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 103.9 48.9 -60.1 -44.9 16.0 32.9 25.8 86 89 A S H > S+ 0 0 10 -6,-0.4 4,-2.7 -9,-0.2 5,-0.3 0.957 113.2 46.8 -58.1 -52.6 17.8 34.3 22.8 87 90 A M H X S+ 0 0 25 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.931 115.4 45.3 -56.3 -48.8 21.2 33.5 24.2 88 91 A A H X>S+ 0 0 1 -4,-2.9 5,-2.4 1,-0.2 4,-2.2 0.849 113.3 51.0 -64.9 -36.5 20.1 29.9 25.2 89 92 A T H <>S+ 0 0 34 -4,-2.5 5,-2.0 3,-0.3 6,-0.2 0.935 111.3 46.0 -66.9 -49.6 18.4 29.4 21.8 90 93 A K H <5S+ 0 0 126 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.896 120.1 41.3 -60.4 -41.0 21.5 30.4 19.8 91 94 A A H <5S- 0 0 6 -4,-2.1 -37,-0.2 -5,-0.3 -1,-0.2 0.833 142.2 -31.2 -75.5 -33.1 23.8 28.3 21.9 92 95 A L T ><5S+ 0 0 0 -4,-2.2 3,-1.8 -5,-0.2 -3,-0.3 0.554 114.1 74.9-154.8 -51.4 21.6 25.3 22.3 93 96 A L G > - 0 0 36 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.313 25.1-130.8 -57.3 136.2 12.6 19.8 20.8 98 101 A S G > S+ 0 0 108 1,-0.3 3,-1.8 2,-0.2 5,-0.1 0.819 105.8 66.2 -57.7 -34.5 10.1 22.5 21.7 99 102 A S G 3 S+ 0 0 92 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.681 97.9 54.0 -59.8 -21.1 8.2 20.0 23.9 100 103 A D G < S+ 0 0 15 -3,-1.9 -32,-3.0 -33,-0.1 2,-0.4 0.349 99.2 74.6 -95.2 2.7 11.2 19.8 26.2 101 104 A V B < -d 68 0A 29 -3,-1.8 2,-0.6 -34,-0.2 -32,-0.2 -0.975 69.1-146.2-123.4 125.9 11.3 23.6 26.8 102 105 A I - 0 0 16 -34,-2.7 -32,-0.4 -2,-0.4 2,-0.2 -0.796 24.1-146.8 -90.1 119.8 8.9 25.6 29.0 103 106 A S - 0 0 48 -2,-0.6 2,-0.5 -34,-0.1 30,-0.1 -0.563 4.7-136.2 -89.5 152.0 8.4 29.1 27.5 104 107 A I - 0 0 2 -2,-0.2 2,-0.8 29,-0.0 -26,-0.1 -0.925 14.1-140.9-101.8 129.8 7.8 32.4 29.3 105 108 A D + 0 0 86 -2,-0.5 3,-0.3 21,-0.2 24,-0.1 -0.825 25.8 173.3 -90.1 106.7 5.1 34.6 27.8 106 109 A R >> + 0 0 10 -2,-0.8 3,-2.2 1,-0.2 4,-0.9 0.525 46.7 102.5 -93.7 -7.3 6.5 38.2 28.1 107 110 A R H 3> S+ 0 0 183 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.790 73.9 59.5 -49.3 -43.5 3.8 40.1 26.2 108 111 A A H 34 S+ 0 0 56 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.734 113.5 39.3 -61.5 -21.6 2.0 41.5 29.2 109 112 A A H X> S+ 0 0 1 -3,-2.2 4,-2.1 1,-0.1 3,-1.5 0.608 88.8 88.6-101.0 -18.2 5.3 43.2 30.3 110 113 A L H 3< S+ 0 0 68 -4,-0.9 4,-0.3 -3,-0.5 -2,-0.1 0.828 84.7 55.2 -62.0 -33.7 6.8 44.5 27.0 111 114 A A T 3< S+ 0 0 103 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.738 128.3 16.3 -68.4 -20.8 4.9 47.9 27.0 112 115 A T T X4 S+ 0 0 52 -3,-1.5 3,-2.1 7,-0.1 -2,-0.2 0.415 89.4 105.5-132.3 -0.7 6.3 48.8 30.5 113 116 A S T 3< S+ 0 0 3 -4,-2.1 84,-3.1 1,-0.3 -38,-0.1 0.683 82.4 54.0 -66.9 -18.6 9.2 46.5 31.4 114 117 A K T 3 S+ 0 0 150 -4,-0.3 2,-0.8 82,-0.2 -1,-0.3 0.452 86.7 94.4 -91.9 0.6 11.9 49.3 30.8 115 118 A D <> - 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