==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-AUG-11 3TFU . COMPND 2 MOLECULE: ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTR . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR T.W.GEDERS,B.C.FINZEL . 829 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 55 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 5 0 0 0 0 3 1 2 0 6 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 6 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 PARALLEL BRIDGES PER LADDER . 4 2 0 5 3 4 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 . 3 0 3 1 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 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 7 A G 0 0 78 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.7 9.8 20.3 -19.6 2 8 A L - 0 0 29 3,-0.0 505,-0.1 4,-0.0 509,-0.1 -0.983 360.0-128.9-134.8 144.3 8.0 19.4 -22.8 3 9 A T > - 0 0 69 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.453 40.1-102.2 -78.6 161.0 4.5 18.4 -23.8 4 10 A P H > S+ 0 0 53 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.849 125.2 53.1 -52.8 -36.3 3.9 15.3 -26.0 5 11 A E H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.933 110.6 45.3 -63.4 -47.3 3.5 17.6 -29.0 6 12 A Q H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.834 110.5 55.2 -66.1 -33.9 6.8 19.3 -28.3 7 13 A I H X S+ 0 0 3 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.931 109.1 46.7 -62.7 -46.3 8.5 16.0 -27.7 8 14 A I H X S+ 0 0 80 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.867 112.2 51.0 -64.2 -37.3 7.4 14.7 -31.1 9 15 A A H X S+ 0 0 53 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.928 114.8 41.9 -66.6 -46.6 8.5 18.0 -32.8 10 16 A V H X S+ 0 0 15 -4,-2.5 4,-2.9 2,-0.2 5,-0.4 0.937 114.6 52.5 -63.6 -46.8 12.0 17.8 -31.2 11 17 A D H X S+ 0 0 8 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.922 108.9 49.3 -55.5 -48.6 12.2 14.0 -31.8 12 18 A G H < S+ 0 0 43 -4,-2.5 11,-0.3 1,-0.2 -1,-0.2 0.845 119.1 37.6 -61.4 -36.0 11.4 14.4 -35.5 13 19 A A H < S+ 0 0 51 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.861 132.4 15.5 -84.8 -36.7 13.9 17.2 -36.0 14 20 A H H < S+ 0 0 48 -4,-2.9 513,-2.9 -5,-0.2 2,-0.5 0.510 97.0 90.0-124.6 -8.6 16.9 16.1 -33.9 15 21 A L B < -a 527 0A 5 -4,-1.9 2,-0.4 -5,-0.4 513,-0.2 -0.858 49.9-154.8-110.3 125.1 16.7 12.4 -32.7 16 22 A W - 0 0 1 511,-2.5 513,-0.4 -2,-0.5 6,-0.1 -0.722 16.7-160.0 -80.4 138.1 18.1 9.3 -34.4 17 23 A H > - 0 0 12 -2,-0.4 3,-1.4 4,-0.3 698,-0.2 -0.706 41.7 -64.1-110.3 169.7 16.3 6.1 -33.5 18 24 A P T 3 S- 0 0 34 0, 0.0 698,-0.3 0, 0.0 3,-0.1 -0.312 115.4 -16.0 -57.4 129.7 17.7 2.6 -33.8 19 25 A Y T 3 S+ 0 0 88 696,-2.5 2,-0.2 694,-0.4 695,-0.2 0.845 112.7 123.7 45.8 46.6 18.3 1.7 -37.5 20 26 A S < - 0 0 5 -3,-1.4 693,-2.2 693,-0.4 2,-0.2 -0.690 56.0-117.5-128.5 179.5 16.1 4.6 -38.6 21 27 A S - 0 0 7 691,-0.2 2,-0.6 -2,-0.2 -4,-0.3 -0.614 23.0-115.3-110.4 172.3 16.2 7.7 -40.7 22 28 A I S S- 0 0 10 680,-0.4 684,-0.1 -2,-0.2 -9,-0.1 -0.970 98.3 -4.9-107.4 118.4 15.8 11.4 -40.0 23 29 A G S S+ 0 0 71 -2,-0.6 -1,-0.1 -11,-0.3 -11,-0.0 0.322 120.0 79.0 88.0 -7.6 12.8 12.8 -41.8 24 30 A R + 0 0 160 687,-0.1 2,-0.4 3,-0.1 -2,-0.1 0.169 53.2 135.8-121.7 18.0 11.8 9.7 -43.6 25 31 A E - 0 0 81 1,-0.2 3,-0.1 -4,-0.1 -5,-0.0 -0.549 41.7-157.7 -71.8 121.3 10.1 7.6 -40.9 26 32 A A S S+ 0 0 104 -2,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.894 87.5 36.3 -62.5 -40.0 6.9 5.9 -42.2 27 33 A V S S- 0 0 77 -3,-0.1 -1,-0.2 3,-0.0 476,-0.1 -0.969 86.6-134.5-119.4 123.6 5.7 5.6 -38.6 28 34 A S - 0 0 81 -2,-0.5 -20,-0.0 -3,-0.1 -2,-0.0 -0.455 33.6 -97.9 -72.7 146.3 6.5 8.3 -36.1 29 35 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 475,-0.3 -0.309 36.4-122.4 -60.8 147.0 7.7 7.2 -32.6 30 36 A V E -h 504 0B 28 473,-3.1 475,-2.4 -3,-0.1 2,-0.4 -0.767 25.6-113.8 -92.5 137.4 5.1 7.1 -29.9 31 37 A V E -h 505 0B 1 12,-0.5 12,-2.6 -2,-0.4 2,-0.5 -0.584 25.9-159.6 -73.8 122.2 5.6 9.1 -26.7 32 38 A A E +I 42 0C 2 473,-2.8 475,-0.5 -2,-0.4 10,-0.2 -0.903 17.0 170.7 -99.7 127.8 6.2 7.1 -23.6 33 39 A V E + 0 0 57 8,-2.7 2,-0.3 -2,-0.5 9,-0.2 0.577 61.1 6.4-113.9 -15.2 5.5 9.0 -20.4 34 40 A A E -I 41 0C 12 7,-1.3 7,-3.3 2,-0.0 2,-0.3 -0.992 49.5-162.5-163.3 159.8 5.7 6.3 -17.8 35 41 A A E +I 40 0C 1 460,-2.3 2,-0.3 -2,-0.3 462,-0.3 -0.949 16.2 162.5-150.7 129.0 6.4 2.7 -17.0 36 42 A H E > -I 39 0C 91 3,-2.4 3,-1.8 -2,-0.3 30,-0.2 -0.948 60.7 -31.4-150.7 128.4 5.5 0.6 -14.0 37 43 A G B 3 S-L 65 0D 25 28,-3.1 28,-3.2 -2,-0.3 30,-0.1 -0.441 125.2 -22.7 63.9-134.8 5.4 -3.2 -13.6 38 44 A A T 3 S+ 0 0 3 26,-0.2 15,-3.3 -2,-0.1 2,-0.4 0.393 122.0 92.5 -86.3 4.5 4.7 -4.9 -16.9 39 45 A W E < -IJ 36 52C 58 -3,-1.8 -3,-2.4 13,-0.2 2,-0.4 -0.803 54.6-160.9-113.9 140.9 3.0 -1.8 -18.2 40 46 A L E -IJ 35 51C 0 11,-3.7 11,-3.0 -2,-0.4 2,-0.7 -0.894 16.9-139.4-108.6 143.3 4.0 1.2 -20.3 41 47 A T E +IJ 34 50C 24 -7,-3.3 -8,-2.7 -2,-0.4 -7,-1.3 -0.920 32.6 175.8-102.7 114.7 2.0 4.4 -20.4 42 48 A L E -IJ 32 49C 1 7,-2.9 7,-3.0 -2,-0.7 2,-0.7 -0.815 32.4-118.1-119.9 156.9 2.0 5.7 -24.0 43 49 A I E + J 0 48C 26 -12,-2.6 2,-0.5 -2,-0.3 -12,-0.5 -0.847 33.1 175.5 -98.6 111.4 0.4 8.6 -25.8 44 50 A R E > S- J 0 47C 57 3,-3.0 3,-2.6 -2,-0.7 -14,-0.0 -0.970 75.2 -16.4-118.3 121.6 -2.0 7.5 -28.6 45 51 A D T 3 S- 0 0 160 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.0 0.846 128.9 -56.6 52.9 33.8 -4.0 10.2 -30.4 46 52 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.3 -3,-0.1 -41,-0.1 0.375 116.3 118.0 81.5 -5.9 -3.1 12.4 -27.5 47 53 A Q E < -J 44 0C 120 -3,-2.6 -3,-3.0 2,-0.0 2,-0.3 -0.837 65.6-129.5 -98.0 127.3 -4.6 10.0 -25.0 48 54 A P E +J 43 0C 78 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.599 36.6 176.0 -68.9 127.1 -2.4 8.4 -22.3 49 55 A I E -J 42 0C 31 -7,-3.0 -7,-2.9 -2,-0.3 2,-0.5 -0.986 28.5-126.1-135.5 147.5 -3.0 4.6 -22.4 50 56 A E E +J 41 0C 131 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.793 32.1 176.1 -93.9 132.1 -1.5 1.7 -20.5 51 57 A V E -J 40 0C 0 -11,-3.0 -11,-3.7 -2,-0.5 2,-0.3 -0.969 33.9-102.3-135.4 150.8 -0.1 -1.1 -22.6 52 58 A L E -Jk 39 382C 1 329,-2.6 331,-2.7 -2,-0.3 2,-2.0 -0.539 24.5-132.3 -74.8 131.0 1.8 -4.3 -21.8 53 59 A D E > + k 0 383C 0 -15,-3.3 3,-2.0 -2,-0.3 -1,-0.1 -0.547 34.8 173.1 -79.5 75.2 5.5 -4.3 -22.4 54 60 A A T 3 S+ 0 0 0 -2,-2.0 340,-2.0 329,-0.7 -1,-0.2 0.716 74.6 49.2 -63.6 -21.5 5.4 -7.6 -24.2 55 61 A M T 3> S- 0 0 0 328,-0.4 4,-2.4 338,-0.2 3,-0.4 0.416 104.1-126.2 -95.4 0.6 9.1 -7.4 -25.3 56 62 A S H <>> - 0 0 0 -3,-2.0 5,-2.7 1,-0.2 4,-0.9 0.848 69.0 -65.7 53.0 36.2 10.3 -6.5 -21.8 57 63 A S H 45S- 0 0 0 3,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.951 110.9 -34.6 49.2 52.7 12.0 -3.5 -23.5 58 64 A W H 45S- 0 0 63 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.971 117.0 -49.3 64.9 61.0 14.2 -6.0 -25.4 59 65 A W H <5S+ 0 0 11 -4,-2.4 3,-0.3 335,-0.3 210,-0.3 0.351 120.3 98.9 73.6 -6.5 14.7 -8.8 -22.9 60 66 A T T <5 + 0 0 0 -4,-0.9 2,-2.0 -3,-0.4 3,-0.3 0.905 59.9 67.0 -83.8 -43.8 15.7 -6.3 -20.1 61 67 A A > < + 0 0 0 -5,-2.7 3,-2.1 1,-0.2 -1,-0.2 -0.257 52.8 148.5 -83.6 54.6 12.7 -5.7 -17.9 62 68 A I T 3 S+ 0 0 2 -2,-2.0 335,-2.3 1,-0.3 336,-0.5 0.788 79.2 38.3 -60.7 -30.9 12.5 -9.2 -16.3 63 69 A H T 3 S- 0 0 3 1,-0.3 -1,-0.3 -3,-0.3 -26,-0.1 0.202 119.7-113.2 -99.6 14.0 11.1 -7.8 -13.0 64 70 A G X - 0 0 0 -3,-2.1 3,-0.5 -26,-0.1 -1,-0.3 -0.031 48.3 -52.7 71.2 174.5 9.0 -5.2 -14.8 65 71 A H B 3 S+L 37 0D 3 -28,-3.2 -28,-3.1 1,-0.2 -26,-0.1 -0.508 116.0 11.1 -85.8 151.8 9.6 -1.5 -14.5 66 72 A G T 3 S- 0 0 20 -30,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.852 75.4-177.6 52.9 41.1 9.9 0.4 -11.2 67 73 A H X> - 0 0 45 -3,-0.5 4,-2.7 1,-0.1 3,-0.6 -0.586 29.3-130.8 -69.9 128.5 10.2 -2.7 -9.1 68 74 A P H 3> S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.813 103.4 52.1 -53.2 -38.3 10.4 -1.4 -5.5 69 75 A A H 3> S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.885 113.6 42.6 -67.7 -39.7 13.4 -3.6 -4.6 70 76 A L H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.910 112.0 53.3 -74.9 -42.8 15.5 -2.4 -7.5 71 77 A D H X S+ 0 0 33 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.902 111.2 49.0 -54.1 -42.4 14.4 1.2 -7.1 72 78 A Q H X S+ 0 0 107 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.899 106.8 53.1 -67.4 -44.0 15.6 1.0 -3.5 73 79 A A H X S+ 0 0 22 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.885 112.3 47.2 -58.6 -39.0 19.0 -0.6 -4.3 74 80 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.951 113.4 45.1 -69.0 -50.2 19.6 2.2 -6.7 75 81 A T H X S+ 0 0 34 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.843 110.8 55.8 -64.8 -33.1 18.6 5.0 -4.4 76 82 A T H X S+ 0 0 58 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.917 112.1 41.5 -63.2 -44.1 20.6 3.4 -1.5 77 83 A Q H >X S+ 0 0 27 -4,-1.7 4,-2.8 1,-0.2 3,-0.9 0.852 108.6 60.8 -72.1 -34.1 23.8 3.4 -3.6 78 84 A L H 3< S+ 0 0 8 -4,-2.3 4,-0.3 1,-0.3 -1,-0.2 0.861 100.5 55.6 -60.6 -35.6 23.1 6.9 -4.9 79 85 A R H 3< S+ 0 0 161 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.731 119.4 29.8 -70.6 -22.3 23.2 8.2 -1.3 80 86 A V H << S- 0 0 51 -3,-0.9 370,-2.3 -4,-0.5 2,-0.2 0.838 133.5 -8.2-106.9 -45.0 26.6 6.9 -0.7 81 87 A M < - 0 0 3 -4,-2.8 -1,-0.2 368,-0.2 -2,-0.1 -0.757 45.8-174.8-162.6 107.2 28.7 6.7 -3.9 82 88 A N S S- 0 0 1 1,-0.3 227,-1.1 -4,-0.3 2,-0.3 0.926 72.7 -25.6 -69.9 -45.6 27.4 7.4 -7.4 83 89 A H - 0 0 1 225,-0.2 2,-0.3 224,-0.1 -1,-0.3 -0.966 50.9-176.4-167.0 146.7 30.6 6.5 -9.2 84 90 A V - 0 0 0 -2,-0.3 2,-0.1 -3,-0.1 7,-0.0 -0.969 43.2 -91.2-141.5 156.3 34.4 6.3 -8.9 85 91 A M - 0 0 0 -2,-0.3 4,-0.2 1,-0.1 219,-0.1 -0.399 25.1-142.8 -65.7 141.3 37.0 5.4 -11.5 86 92 A F S S+ 0 0 0 217,-0.4 2,-1.0 219,-0.2 -1,-0.1 0.336 72.1 105.7 -89.3 7.0 37.9 1.7 -11.6 87 93 A G S S- 0 0 6 1,-0.2 -2,-0.1 216,-0.1 3,-0.1 -0.773 105.9 -16.4 -90.3 100.6 41.5 2.4 -12.2 88 94 A G S S+ 0 0 10 -2,-1.0 357,-2.6 1,-0.3 2,-0.3 0.302 126.3 85.1 89.0 -9.1 43.4 1.7 -8.9 89 95 A L E -m 445 0E 0 355,-0.3 2,-0.3 -4,-0.2 -1,-0.3 -0.889 52.2-176.1-120.9 154.6 40.1 1.8 -6.9 90 96 A T E -m 446 0E 0 355,-2.1 357,-3.2 -2,-0.3 2,-0.3 -0.883 6.6-162.7-138.5 173.2 37.5 -0.9 -6.2 91 97 A H > - 0 0 0 -2,-0.3 4,-2.1 355,-0.2 5,-0.2 -0.981 33.8-100.8-157.6 165.7 34.2 -0.9 -4.4 92 98 A E H > S+ 0 0 68 355,-0.5 4,-3.6 -2,-0.3 5,-0.3 0.897 113.3 54.4 -59.0 -48.8 31.5 -3.1 -2.8 93 99 A P H > S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.922 111.5 44.5 -53.6 -49.3 29.0 -3.1 -5.6 94 100 A A H > S+ 0 0 0 212,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.927 117.0 46.3 -61.7 -45.4 31.5 -4.4 -8.2 95 101 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.926 112.9 48.6 -62.7 -47.0 32.8 -7.0 -5.7 96 102 A R H X S+ 0 0 77 -4,-3.6 4,-1.7 1,-0.2 -1,-0.2 0.899 115.2 44.9 -62.1 -41.3 29.3 -8.2 -4.7 97 103 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.905 112.2 51.0 -69.9 -43.3 28.2 -8.5 -8.3 98 104 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.924 111.1 48.7 -58.8 -46.9 31.4 -10.3 -9.4 99 105 A K H X S+ 0 0 85 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.889 113.3 48.1 -58.5 -42.3 31.1 -12.8 -6.6 100 106 A L H X S+ 0 0 32 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.924 113.2 45.9 -65.7 -47.2 27.4 -13.4 -7.5 101 107 A L H X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.872 111.0 52.4 -67.4 -38.8 28.1 -13.8 -11.2 102 108 A V H < S+ 0 0 20 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.856 112.3 47.4 -64.7 -33.5 31.0 -16.1 -10.7 103 109 A D H < S+ 0 0 96 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.834 117.1 38.4 -78.1 -33.1 28.9 -18.3 -8.4 104 110 A I H < S+ 0 0 29 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.530 98.0 87.7-100.3 -7.3 25.8 -18.6 -10.6 105 111 A T S < S- 0 0 10 -4,-1.3 3,-0.1 4,-0.2 4,-0.1 -0.472 97.4 -66.6 -87.7 163.0 27.4 -18.9 -14.1 106 112 A P S > S- 0 0 7 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 -0.112 73.2 -81.2 -47.4 145.4 28.5 -22.2 -15.6 107 113 A A T 3 S+ 0 0 81 1,-0.2 3,-0.1 -3,-0.1 -4,-0.1 -0.106 112.2 34.9 -52.2 143.3 31.4 -23.8 -13.7 108 114 A G T 3 S+ 0 0 44 1,-0.2 2,-1.1 -6,-0.1 176,-0.6 0.076 79.3 113.7 104.6 -24.1 34.8 -22.5 -14.5 109 115 A L E < +Q 283 0F 3 -3,-1.4 174,-0.2 174,-0.2 -4,-0.2 -0.707 28.0 148.4 -86.0 100.9 34.1 -18.9 -15.1 110 116 A D E + 0 0 52 -2,-1.1 2,-0.3 172,-1.0 173,-0.2 0.275 46.6 69.5-123.3 12.2 35.8 -17.1 -12.2 111 117 A T E -Q 282 0F 2 171,-1.3 171,-1.3 -9,-0.1 2,-0.4 -0.985 60.5-157.7-130.1 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