==== 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 TRANSFERASE 05-SEP-08 2ZSE . COMPND 2 MOLECULE: PANTOTHENATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR B.CHETNANI,S.DAS,P.KUMAR,A.SUROLIA,M.VIJAYAN . 307 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 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 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.6 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 3 1 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 3 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 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 6 A E 0 0 236 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.2 99.7 42.7 1.7 2 7 A P - 0 0 129 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.070 360.0-164.3 -58.6 159.5 98.6 39.4 3.4 3 8 A S - 0 0 50 2,-0.1 303,-0.0 1,-0.1 0, 0.0 -0.974 32.8-134.7-146.7 157.0 94.9 38.4 3.5 4 9 A P S S+ 0 0 54 0, 0.0 302,-3.3 0, 0.0 303,-1.5 0.556 91.0 69.0 -87.5 -6.7 92.6 36.0 5.3 5 10 A Y E -A 305 0A 60 300,-0.2 2,-0.4 301,-0.2 300,-0.2 -0.763 59.9-163.7-113.1 157.4 91.1 35.1 2.0 6 11 A V E -A 304 0A 51 298,-1.7 298,-2.4 -2,-0.3 2,-0.1 -0.984 19.0-140.1-140.0 124.2 92.2 33.2 -1.1 7 12 A E E -A 303 0A 133 -2,-0.4 2,-0.3 296,-0.2 296,-0.2 -0.357 15.8-168.6 -82.1 162.6 90.4 33.5 -4.5 8 13 A F E -A 302 0A 37 294,-1.5 294,-2.4 -2,-0.1 2,-0.2 -0.978 13.9-147.6-152.3 137.9 89.7 30.7 -7.0 9 14 A D E > -A 301 0A 58 -2,-0.3 4,-2.3 292,-0.2 3,-0.4 -0.619 43.9 -99.8 -97.2 165.8 88.4 30.6 -10.5 10 15 A R H > S+ 0 0 31 290,-0.8 4,-2.3 1,-0.2 5,-0.2 0.859 123.5 58.9 -53.2 -33.8 86.4 27.5 -11.5 11 16 A R H > S+ 0 0 179 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.924 109.8 39.0 -61.2 -49.0 89.5 26.1 -13.1 12 17 A Q H > S+ 0 0 105 -3,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.839 115.9 52.1 -73.0 -34.2 91.6 26.1 -9.9 13 18 A W H >< S+ 0 0 8 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.905 103.8 55.1 -71.7 -41.4 88.7 25.0 -7.6 14 19 A R H >< S+ 0 0 112 -4,-2.3 3,-2.4 -5,-0.3 4,-0.3 0.865 96.3 66.8 -60.3 -35.8 87.7 22.0 -9.6 15 20 A A H >< S+ 0 0 70 -4,-1.0 3,-1.4 1,-0.3 -1,-0.3 0.853 89.7 66.2 -52.4 -36.0 91.2 20.6 -9.4 16 21 A L T << S+ 0 0 62 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.409 75.6 90.2 -68.9 3.6 90.7 20.2 -5.7 17 22 A R T X + 0 0 73 -3,-2.4 3,-0.9 1,-0.2 -1,-0.3 0.855 61.8 171.4 -67.5 -34.0 88.1 17.6 -6.4 18 23 A M T < - 0 0 116 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 -0.323 68.1 -25.7 56.0-136.2 90.7 14.8 -6.3 19 24 A S T 3 S+ 0 0 114 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.311 88.1 152.9-104.4 52.0 89.0 11.5 -6.5 20 25 A T < - 0 0 11 -3,-0.9 2,-0.1 -2,-0.3 29,-0.1 -0.676 41.7-126.1 -83.9 127.9 85.6 12.5 -5.1 21 26 A P - 0 0 93 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.402 8.6-134.7 -72.4 147.1 82.7 10.3 -6.2 22 27 A L + 0 0 44 -2,-0.1 2,-0.4 1,-0.1 23,-0.1 -0.882 25.8 176.3-103.8 101.0 79.6 11.8 -7.8 23 28 A A + 0 0 41 -2,-0.8 2,-0.3 88,-0.1 -1,-0.1 -0.332 48.7 90.4-101.3 51.4 76.7 10.1 -6.1 24 29 A L - 0 0 10 -2,-0.4 2,-0.1 17,-0.0 20,-0.0 -0.982 56.3-155.2-148.9 132.5 73.9 12.0 -7.8 25 30 A T > - 0 0 75 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.423 34.1-103.7 -98.3 176.7 71.9 11.5 -11.0 26 31 A E H > S+ 0 0 145 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.909 119.5 52.0 -67.0 -44.0 70.1 14.0 -13.3 27 32 A E H > S+ 0 0 160 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 114.0 44.5 -57.7 -50.0 66.6 13.0 -12.1 28 33 A E H 4 S+ 0 0 57 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.946 112.0 51.0 -59.9 -50.7 67.8 13.5 -8.4 29 34 A L H >X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 3,-1.8 0.915 109.5 52.6 -53.0 -44.3 69.6 16.8 -9.2 30 35 A V H 3< S+ 0 0 82 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.917 102.2 58.2 -57.7 -45.0 66.4 18.0 -10.9 31 36 A G T 3< S+ 0 0 65 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.495 113.4 40.9 -66.1 -0.5 64.4 17.1 -7.8 32 37 A L T <4 S+ 0 0 33 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.637 91.9 101.4-115.1 -28.7 66.6 19.6 -6.0 33 38 A R < - 0 0 101 -4,-1.9 2,-0.2 -3,-0.2 3,-0.0 -0.320 64.2-137.1 -63.3 136.7 66.9 22.4 -8.5 34 39 A G > - 0 0 15 1,-0.1 3,-2.2 63,-0.1 2,-0.1 -0.591 35.4 -78.4 -95.5 158.4 64.8 25.4 -8.0 35 40 A L T 3 S+ 0 0 77 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.319 120.8 15.9 -54.7 117.4 62.8 27.4 -10.5 36 41 A G T 3 S+ 0 0 38 1,-0.4 -1,-0.3 -2,-0.1 2,-0.2 0.035 93.0 124.9 106.9 -28.0 65.3 29.6 -12.4 37 42 A E < - 0 0 15 -3,-2.2 -1,-0.4 1,-0.1 260,-0.1 -0.451 44.5-161.5 -70.2 137.9 68.5 27.7 -11.3 38 43 A Q + 0 0 126 -2,-0.2 -1,-0.1 -3,-0.1 260,-0.1 0.300 35.8 147.2-100.6 6.9 70.8 26.5 -14.1 39 44 A I + 0 0 6 258,-0.1 2,-0.2 4,-0.1 -6,-0.1 -0.190 20.6 176.1 -52.3 123.0 72.7 24.0 -12.0 40 45 A D > - 0 0 80 1,-0.0 4,-1.6 -7,-0.0 3,-0.1 -0.665 47.0 -92.6-118.6 177.2 73.8 20.9 -14.0 41 46 A L H > S+ 0 0 41 -2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.829 121.1 60.9 -61.8 -32.2 76.0 17.8 -13.1 42 47 A L H >> S+ 0 0 85 1,-0.2 4,-2.9 2,-0.2 3,-1.0 0.970 105.5 45.6 -60.0 -52.4 79.1 19.5 -14.4 43 48 A E H 3>>S+ 0 0 10 1,-0.3 4,-2.3 2,-0.2 5,-1.3 0.851 109.2 57.8 -59.1 -32.6 78.8 22.3 -11.8 44 49 A V H 3<>S+ 0 0 0 -4,-1.6 5,-0.7 3,-0.2 -1,-0.3 0.822 112.6 40.0 -66.9 -28.9 78.1 19.7 -9.2 45 50 A E H <<5S+ 0 0 53 -4,-1.5 -2,-0.2 -3,-1.0 -1,-0.2 0.862 121.3 39.9 -86.9 -39.8 81.4 18.0 -10.1 46 51 A E H <5S+ 0 0 35 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.754 133.8 16.5 -82.5 -25.0 83.6 21.1 -10.5 47 52 A V T X5S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.3 -3,-0.2 0.791 126.7 41.5-114.6 -50.9 82.1 23.1 -7.6 48 53 A Y H > S+ 0 0 4 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.931 114.2 53.9 -60.3 -38.8 85.7 19.9 -3.9 51 56 A L H X S+ 0 0 0 -4,-1.2 4,-2.6 1,-0.2 -2,-0.2 0.918 106.0 48.4 -59.3 -48.6 83.4 21.6 -1.4 52 57 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.867 112.7 51.9 -62.4 -33.0 82.1 18.3 0.0 53 58 A R H X S+ 0 0 70 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.991 108.9 47.5 -65.6 -58.6 85.7 17.2 0.2 54 59 A L H X S+ 0 0 32 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.892 112.8 51.4 -48.3 -45.0 86.8 20.3 2.1 55 60 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.911 107.7 48.9 -62.6 -45.0 83.9 19.8 4.5 56 61 A H H X S+ 0 0 35 -4,-2.2 4,-0.8 -3,-0.2 -1,-0.2 0.809 110.4 53.3 -68.5 -22.8 84.6 16.2 5.3 57 62 A L H >X S+ 0 0 97 -4,-2.0 4,-2.2 1,-0.2 3,-0.7 0.955 112.2 44.1 -70.8 -48.5 88.2 17.1 6.0 58 63 A Q H 3X S+ 0 0 80 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.783 104.7 62.8 -65.5 -30.4 87.1 19.9 8.4 59 64 A V H 3< S+ 0 0 30 -4,-2.3 -1,-0.2 2,-0.2 4,-0.2 0.827 109.5 42.1 -65.3 -29.6 84.5 17.6 10.1 60 65 A A H XX S+ 0 0 63 -4,-0.8 3,-1.2 -3,-0.7 4,-0.6 0.954 117.7 44.4 -78.7 -55.9 87.3 15.4 11.1 61 66 A A H >X S+ 0 0 54 -4,-2.2 3,-2.8 1,-0.3 4,-0.7 0.966 111.4 52.4 -51.2 -62.5 89.7 18.2 12.2 62 67 A R H 3X S+ 0 0 78 -4,-2.7 4,-0.8 1,-0.3 -1,-0.3 0.663 96.0 72.4 -51.3 -16.3 87.0 20.1 14.0 63 68 A Q H <> S+ 0 0 57 -3,-1.2 4,-1.1 -5,-0.2 -1,-0.3 0.824 90.8 58.3 -71.0 -28.4 86.3 16.9 15.9 64 69 A R H XX S+ 0 0 188 -3,-2.8 4,-3.4 -4,-0.6 3,-1.1 0.958 95.0 62.0 -63.5 -52.5 89.5 17.3 17.8 65 70 A L H 3X S+ 0 0 106 -4,-0.7 4,-1.5 1,-0.3 -1,-0.2 0.817 108.7 42.9 -44.5 -39.1 88.6 20.8 19.3 66 71 A F H 3X S+ 0 0 83 -4,-0.8 4,-0.7 -3,-0.2 -1,-0.3 0.779 114.3 51.9 -79.8 -25.1 85.7 19.2 21.1 67 72 A A H S+ 0 0 6 -4,-0.7 5,-1.6 -3,-0.5 -2,-0.2 0.881 110.3 47.1 -77.2 -39.9 86.7 17.1 26.8 71 76 A E H ><5S+ 0 0 139 -4,-2.5 3,-2.8 2,-0.2 -2,-0.2 0.982 111.7 49.5 -62.9 -58.2 90.2 15.9 27.8 72 77 A F H 3<5S+ 0 0 170 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.887 109.4 53.7 -46.0 -47.1 91.0 19.1 29.6 73 78 A L T 3<5S- 0 0 95 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.477 108.4-125.4 -70.5 -3.6 87.6 18.8 31.4 74 79 A G T < 5 + 0 0 66 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.614 59.3 154.9 67.6 8.7 88.5 15.3 32.6 75 80 A E < - 0 0 100 -5,-1.6 -1,-0.2 -6,-0.2 3,-0.0 -0.252 56.8 -88.1 -65.6 154.4 85.2 14.3 31.0 76 81 A P - 0 0 118 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.358 58.6 -93.0 -61.0 148.6 84.7 10.8 29.7 77 82 A Q - 0 0 126 1,-0.1 -10,-0.1 -3,-0.1 -6,-0.0 -0.571 60.8 -84.4 -77.1 106.2 86.0 10.6 26.2 78 83 A Q - 0 0 107 -2,-0.9 -1,-0.1 1,-0.1 -11,-0.0 0.575 41.6-104.7 -4.1 131.4 83.1 11.2 23.8 79 84 A N > - 0 0 71 3,-0.2 3,-1.1 1,-0.1 -1,-0.1 -0.508 22.8-142.0 -70.1 127.1 80.6 8.5 22.7 80 85 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.815 97.1 55.8 -59.4 -38.8 81.3 7.4 19.0 81 86 A D T 3 S+ 0 0 129 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 0.619 112.2 46.8 -72.9 -11.7 77.6 7.0 18.0 82 87 A R S < S+ 0 0 66 -3,-1.1 -1,-0.2 3,-0.0 -3,-0.2 -0.649 73.1 173.1-134.2 78.0 76.9 10.6 19.0 83 88 A P - 0 0 51 0, 0.0 -4,-0.0 0, 0.0 -20,-0.0 -0.153 49.8 -81.9 -72.8 176.2 79.5 13.0 17.7 84 89 A V - 0 0 21 1,-0.1 77,-0.1 -21,-0.1 78,-0.1 -0.751 56.3-108.6 -83.5 116.3 79.1 16.8 18.1 85 90 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 107,-0.2 -0.169 27.7-131.3 -46.7 127.6 76.8 17.9 15.2 86 91 A F E -b 192 0A 3 105,-2.6 107,-3.0 127,-0.0 2,-0.6 -0.740 22.5-147.4 -85.0 126.1 78.8 19.8 12.6 87 92 A I E -b 193 0A 0 -2,-0.5 127,-2.8 125,-0.3 128,-1.4 -0.870 14.6-172.1-104.5 121.3 76.8 23.0 11.8 88 93 A I E -bc 194 215A 0 105,-2.9 107,-2.8 -2,-0.6 2,-0.4 -0.942 8.7-154.9-113.8 124.9 76.9 24.6 8.3 89 94 A G E -bc 195 216A 0 126,-2.6 128,-3.6 -2,-0.5 2,-0.5 -0.812 5.6-167.5 -99.1 136.1 75.4 28.0 7.7 90 95 A V E +bc 196 217A 0 105,-2.5 107,-2.4 -2,-0.4 2,-0.3 -0.974 18.0 170.9-123.9 115.6 74.2 28.9 4.2 91 96 A A E +bc 197 218A 0 126,-3.3 128,-2.6 -2,-0.5 2,-0.2 -0.771 11.4 110.0-123.0 167.9 73.4 32.6 3.7 92 97 A G E - c 0 219A 0 106,-0.6 128,-0.1 105,-0.5 108,-0.1 -0.814 58.2 -52.0 149.6 170.3 72.5 35.0 0.9 93 98 A S > - 0 0 2 126,-0.5 3,-1.1 -2,-0.2 5,-0.4 -0.110 62.7 -86.3 -67.4 165.2 69.8 37.1 -0.6 94 99 A V T 3 S+ 0 0 39 1,-0.2 -1,-0.1 178,-0.2 136,-0.1 -0.506 114.4 17.8 -68.6 142.1 66.4 36.1 -1.7 95 100 A A T 3 S+ 0 0 12 -2,-0.1 -1,-0.2 -3,-0.1 138,-0.1 0.653 88.4 112.9 69.0 21.2 66.4 34.6 -5.2 96 101 A V S < S- 0 0 0 -3,-1.1 -2,-0.1 123,-0.1 -1,-0.1 0.454 89.3-109.9-100.7 -1.0 70.1 33.9 -5.4 97 102 A G S >> S+ 0 0 9 -4,-0.2 4,-2.5 -62,-0.1 3,-0.6 0.519 74.2 136.9 87.2 6.9 69.7 30.1 -5.5 98 103 A K H 3> S+ 0 0 16 -5,-0.4 4,-2.4 1,-0.2 5,-0.1 0.737 70.0 57.0 -59.0 -24.4 71.1 29.5 -2.0 99 104 A S H 3> S+ 0 0 36 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.873 107.0 46.8 -75.2 -36.0 68.3 27.0 -1.2 100 105 A T H <> S+ 0 0 4 -3,-0.6 4,-3.3 2,-0.2 5,-0.3 0.959 111.9 52.8 -66.0 -47.2 69.3 24.9 -4.2 101 106 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.931 111.8 45.5 -50.8 -48.9 72.9 25.2 -3.0 102 107 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.937 113.3 48.7 -62.7 -47.8 71.8 24.0 0.4 103 108 A R H X S+ 0 0 80 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.920 112.6 47.7 -59.5 -45.6 69.7 21.1 -1.0 104 109 A V H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.954 111.5 51.5 -59.6 -49.4 72.4 19.9 -3.3 105 110 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 5,-0.3 0.903 108.8 50.7 -54.0 -45.2 74.9 20.1 -0.4 106 111 A Q H X S+ 0 0 55 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.925 109.9 50.7 -59.5 -44.7 72.6 18.0 1.8 107 112 A A H X S+ 0 0 18 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.952 111.9 46.0 -58.9 -53.0 72.3 15.4 -1.0 108 113 A L H >< S+ 0 0 12 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.967 114.2 46.1 -55.6 -58.6 76.0 15.1 -1.5 109 114 A L H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.812 106.7 58.6 -56.4 -34.1 77.0 14.9 2.2 110 115 A A H 3< S+ 0 0 36 -4,-2.1 2,-0.3 1,-0.3 -1,-0.3 0.782 102.4 58.7 -66.7 -23.7 74.2 12.4 2.9 111 116 A R T << S+ 0 0 107 -3,-1.5 2,-0.5 -4,-1.0 -1,-0.3 -0.287 76.0 125.7-100.7 47.3 75.9 10.2 0.3 112 117 A W S X S- 0 0 68 -3,-0.9 3,-4.1 -2,-0.3 -3,-0.0 -0.927 80.2 -91.4-109.1 129.0 79.3 10.0 2.0 113 118 A D T 3 S+ 0 0 126 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.449 125.9 38.0 1.8 -69.2 80.7 6.5 2.6 114 119 A H T 3 S- 0 0 179 -3,-0.0 -1,-0.3 1,-0.0 -3,-0.1 0.332 107.5-125.1 -82.5 10.2 79.2 6.0 6.1 115 120 A H < - 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