==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-AUG-11 3TFW . COMPND 2 MOLECULE: PUTATIVE O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR L.SATYANARAYANA,S.C.ALMO,S.SWAMINATHAN,NEW YORK STRUCTURAL G . 441 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.0 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 . 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 . 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 . 32 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 0 1 3 0 0 2 0 2 3 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 5 A H > 0 0 190 0, 0.0 4,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.2 -6.2 25.9 15.5 2 6 A X H > + 0 0 94 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.873 360.0 61.4 -64.9 -36.9 -7.9 25.8 18.9 3 7 A Q H > S+ 0 0 40 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.907 100.1 51.2 -60.2 -47.3 -4.5 25.4 20.7 4 8 A Q H > S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.881 112.4 48.9 -55.6 -40.5 -3.1 28.7 19.5 5 9 A Q H X S+ 0 0 126 -4,-1.1 4,-2.6 2,-0.2 5,-0.2 0.943 110.6 48.7 -64.1 -49.6 -6.2 30.4 20.8 6 10 A W H X S+ 0 0 58 -4,-2.7 4,-2.3 1,-0.2 201,-0.3 0.907 114.7 46.6 -56.8 -42.3 -6.0 28.6 24.1 7 11 A S H X S+ 0 0 14 -4,-2.9 4,-3.1 199,-0.3 -2,-0.2 0.934 110.7 51.6 -66.4 -47.4 -2.3 29.6 24.4 8 12 A A H X S+ 0 0 58 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.918 112.0 46.6 -53.5 -48.5 -3.1 33.3 23.4 9 13 A V H X S+ 0 0 81 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.930 112.6 49.7 -62.6 -46.9 -5.8 33.6 26.0 10 14 A D H X S+ 0 0 10 -4,-2.3 4,-3.2 -5,-0.2 5,-0.3 0.927 109.6 52.4 -55.4 -47.4 -3.5 32.0 28.7 11 15 A N H X S+ 0 0 100 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.913 112.8 44.3 -56.3 -47.5 -0.7 34.4 27.7 12 16 A Y H X S+ 0 0 173 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.958 116.6 45.3 -58.7 -54.5 -3.1 37.4 28.1 13 17 A L H X S+ 0 0 73 -4,-3.0 4,-2.1 1,-0.2 5,-0.3 0.916 115.1 46.5 -60.2 -46.8 -4.6 36.2 31.4 14 18 A I H X S+ 0 0 38 -4,-3.2 4,-2.4 -5,-0.2 -1,-0.2 0.924 113.1 47.9 -64.9 -46.6 -1.2 35.2 33.0 15 19 A K H < S+ 0 0 177 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.881 114.9 47.4 -60.6 -38.4 0.6 38.5 32.0 16 20 A A H < S+ 0 0 67 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.872 126.4 22.5 -70.0 -38.5 -2.3 40.5 33.3 17 21 A L H < S+ 0 0 138 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.790 109.1 64.2-104.9 -35.0 -2.8 38.8 36.7 18 22 A I S < S- 0 0 29 -4,-2.4 -1,-0.1 -5,-0.3 3,-0.1 -0.848 74.0-130.3-106.9 123.1 0.3 37.0 37.8 19 23 A P - 0 0 98 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.307 33.5 -95.5 -69.8 151.3 3.5 38.9 38.6 20 24 A G - 0 0 74 -5,-0.1 -5,-0.0 1,-0.0 0, 0.0 -0.303 38.2-159.9 -60.0 145.4 6.9 37.8 37.1 21 25 A D > - 0 0 42 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.899 14.6-166.2-139.2 108.9 8.9 35.5 39.4 22 26 A P H > S+ 0 0 106 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.865 91.8 49.0 -59.8 -42.7 12.7 35.0 38.9 23 27 A V H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.921 111.4 48.1 -68.1 -42.0 12.9 32.0 41.2 24 28 A L H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 110.3 53.2 -64.0 -39.3 10.0 30.2 39.5 25 29 A D H X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.924 111.1 46.7 -56.3 -46.5 11.5 30.9 36.1 26 30 A R H X S+ 0 0 92 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.873 107.2 56.8 -67.7 -38.7 14.8 29.4 37.3 27 31 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.926 110.4 44.6 -55.6 -46.5 13.0 26.3 38.7 28 32 A L H X S+ 0 0 44 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.884 110.9 53.6 -68.0 -40.1 11.5 25.6 35.3 29 33 A E H X S+ 0 0 87 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.910 109.3 50.1 -57.6 -44.4 14.8 26.2 33.6 30 34 A N H X S+ 0 0 30 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.889 108.6 51.6 -60.5 -44.9 16.4 23.7 36.0 31 35 A N H <>S+ 0 0 0 -4,-2.0 5,-2.2 2,-0.2 229,-0.2 0.922 113.1 44.0 -58.3 -48.1 13.7 21.1 35.2 32 36 A H H ><5S+ 0 0 62 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.934 111.8 53.0 -64.4 -47.8 14.2 21.4 31.4 33 37 A R H 3<5S+ 0 0 54 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.885 107.0 53.1 -54.3 -41.5 18.0 21.4 31.7 34 38 A A T 3<5S- 0 0 26 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.513 115.3-119.9 -73.3 -4.2 17.7 18.1 33.8 35 39 A G T < 5 + 0 0 9 -3,-1.9 -3,-0.2 225,-0.3 226,-0.1 0.753 52.9 165.1 73.8 23.9 15.6 16.6 30.9 36 40 A L < - 0 0 3 -5,-2.2 224,-1.5 223,-0.2 -1,-0.2 -0.358 50.1 -91.8 -67.0 150.3 12.6 16.0 33.1 37 41 A P B -A 259 0A 32 0, 0.0 2,-2.0 0, 0.0 221,-0.2 -0.447 43.3-115.8 -56.7 138.4 9.2 15.2 31.4 38 42 A A S S+ 0 0 1 220,-1.5 219,-0.3 215,-0.2 220,-0.2 -0.538 70.4 132.9 -82.8 74.5 7.5 18.6 31.0 39 43 A H + 0 0 107 -2,-2.0 -1,-0.2 218,-0.1 216,-0.0 0.155 28.3 132.8-108.9 13.8 4.6 17.8 33.3 40 44 A D - 0 0 13 -3,-0.1 2,-0.1 1,-0.1 217,-0.1 -0.358 60.7-111.3 -63.9 144.5 4.8 21.1 35.3 41 45 A V - 0 0 10 1,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.395 35.0-101.9 -69.2 154.5 1.5 23.0 35.8 42 46 A A >> - 0 0 9 1,-0.1 4,-2.3 -2,-0.1 3,-0.7 -0.396 37.5-104.3 -70.1 158.2 1.0 26.3 34.0 43 47 A A H 3> S+ 0 0 26 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.824 121.3 53.3 -57.8 -35.3 1.5 29.5 36.1 44 48 A N H 3> S+ 0 0 55 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.836 108.9 49.5 -70.2 -32.0 -2.3 30.1 36.5 45 49 A Q H <> S+ 0 0 48 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.904 110.2 51.3 -70.3 -42.8 -2.8 26.5 37.7 46 50 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.924 109.6 49.2 -56.0 -47.2 0.1 27.1 40.3 47 51 A Q H X S+ 0 0 50 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.873 108.1 55.2 -62.8 -37.2 -1.5 30.3 41.5 48 52 A F H X S+ 0 0 81 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.943 108.0 48.1 -58.1 -48.9 -4.8 28.4 41.8 49 53 A L H X S+ 0 0 7 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.891 109.5 53.5 -58.7 -41.2 -3.1 25.8 44.1 50 54 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.913 107.8 50.3 -61.6 -41.3 -1.6 28.6 46.1 51 55 A L H X S+ 0 0 78 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.883 105.6 56.6 -66.3 -35.2 -5.1 30.1 46.6 52 56 A L H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.871 104.7 52.7 -60.8 -37.3 -6.4 26.7 47.7 53 57 A V H X>S+ 0 0 2 -4,-1.8 5,-1.8 2,-0.2 4,-0.8 0.945 111.6 46.1 -61.7 -46.9 -3.7 26.7 50.4 54 58 A R H <5S+ 0 0 145 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.894 112.5 50.5 -60.9 -41.9 -4.9 30.2 51.6 55 59 A L H <5S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 115.3 41.3 -67.7 -37.7 -8.6 29.0 51.5 56 60 A T H <5S- 0 0 21 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.568 100.3-135.6 -81.4 -9.2 -7.9 25.9 53.5 57 61 A Q T <5 - 0 0 169 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.890 38.0-161.1 49.4 42.1 -5.6 27.9 55.8 58 62 A A < + 0 0 2 -5,-1.8 -1,-0.2 -6,-0.2 3,-0.1 -0.206 38.4 166.4 -60.7 137.4 -3.4 24.8 55.4 59 63 A K S S+ 0 0 103 1,-0.3 25,-2.8 -3,-0.1 2,-0.4 0.418 76.8 46.0-115.3 -16.4 -0.7 24.0 57.9 60 64 A R E +b 84 0B 82 23,-0.2 72,-2.6 25,-0.0 73,-1.3 -0.987 68.2 177.1-133.3 119.8 -0.2 20.4 56.6 61 65 A I E -bc 85 133B 0 23,-2.3 25,-3.0 -2,-0.4 2,-0.5 -0.971 13.4-160.3-124.2 139.1 -0.1 19.5 53.0 62 66 A L E -bc 86 134B 0 71,-2.4 73,-3.0 -2,-0.4 2,-0.5 -0.982 8.8-172.8-115.1 129.0 0.5 16.2 51.2 63 67 A E E -bc 87 135B 2 23,-2.9 25,-2.4 -2,-0.5 2,-0.8 -0.978 10.3-158.5-121.5 124.4 1.7 16.1 47.6 64 68 A I E S+bc 88 136B 0 71,-3.1 73,-2.3 -2,-0.5 25,-0.1 -0.863 76.6 26.5-103.4 104.8 1.9 12.8 45.7 65 69 A G - 0 0 15 23,-2.0 24,-0.2 -2,-0.8 -1,-0.2 0.716 60.1-172.9 107.7 84.7 4.3 13.2 42.8 66 70 A T > + 0 0 3 22,-1.2 3,-2.3 1,-0.2 6,-0.3 0.879 13.6 170.2 -69.7 -40.7 7.0 15.9 43.3 67 71 A L T 3 S- 0 0 24 1,-0.3 31,-0.4 21,-0.1 -1,-0.2 -0.497 80.4 -22.3 52.7-118.0 8.6 15.9 39.8 68 72 A G T 3 S- 0 0 0 -2,-0.3 -1,-0.3 29,-0.1 33,-0.2 0.350 94.8-106.1 -99.3 3.1 10.9 19.0 40.0 69 73 A G S <> S+ 0 0 0 -3,-2.3 4,-2.1 -4,-0.1 5,-0.1 0.630 79.0 131.8 84.3 16.9 9.0 20.7 42.8 70 74 A Y H > S+ 0 0 12 -4,-0.3 4,-1.7 2,-0.2 5,-0.1 0.972 81.1 37.3 -65.9 -51.5 7.3 23.4 40.7 71 75 A S H > S+ 0 0 14 -5,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.867 113.1 60.9 -64.3 -35.8 3.8 22.8 42.2 72 76 A T H > S+ 0 0 0 -6,-0.3 4,-3.3 1,-0.2 -1,-0.2 0.913 104.6 47.8 -55.8 -46.4 5.5 22.1 45.5 73 77 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.904 107.3 54.6 -67.1 -41.6 6.9 25.6 45.6 74 78 A W H < S+ 0 0 16 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.916 118.0 37.2 -54.9 -45.4 3.6 27.3 44.7 75 79 A X H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 4,-0.3 0.948 113.5 54.4 -73.5 -47.3 1.9 25.6 47.6 76 80 A A H >< S+ 0 0 0 -4,-3.3 3,-1.7 1,-0.3 -2,-0.2 0.814 97.5 64.2 -62.9 -33.9 4.8 25.7 50.1 77 81 A R T 3< S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.767 99.9 55.4 -58.4 -24.6 5.2 29.5 49.8 78 82 A E T < S+ 0 0 55 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.491 85.2 106.2 -90.6 -4.7 1.7 29.9 51.3 79 83 A L S < S- 0 0 10 -3,-1.7 -20,-0.1 -4,-0.3 -25,-0.0 -0.450 73.5-114.7 -72.3 146.1 2.4 27.9 54.4 80 84 A P > - 0 0 46 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.204 41.7 -90.3 -65.3 171.8 2.7 29.6 57.8 81 85 A A T 3 S+ 0 0 108 1,-0.3 -2,-0.1 3,-0.0 -22,-0.0 0.775 131.2 43.4 -57.4 -30.0 6.1 29.5 59.6 82 86 A D T 3 S+ 0 0 99 2,-0.0 -1,-0.3 28,-0.0 2,-0.1 0.285 93.1 119.5 -98.3 9.3 5.1 26.2 61.4 83 87 A G < - 0 0 4 -3,-2.0 2,-0.4 -7,-0.1 -23,-0.2 -0.346 45.7-158.4 -77.0 155.3 3.6 24.7 58.2 84 88 A Q E -b 60 0B 87 -25,-2.8 -23,-2.3 -2,-0.1 2,-0.5 -0.999 10.8-166.5-137.1 140.3 4.7 21.5 56.6 85 89 A L E -bd 61 111B 1 25,-2.3 27,-3.0 -2,-0.4 2,-0.6 -0.988 9.0-160.1-125.0 119.3 4.4 20.0 53.2 86 90 A L E -bd 62 112B 16 -25,-3.0 -23,-2.9 -2,-0.5 2,-0.4 -0.877 13.8-173.3 -97.2 124.3 5.2 16.3 52.7 87 91 A T E -bd 63 113B 0 25,-2.9 27,-2.5 -2,-0.6 2,-0.5 -0.972 10.3-149.9-125.8 138.1 6.0 15.5 49.0 88 92 A L E +bd 64 114B 2 -25,-2.4 -23,-2.0 -2,-0.4 -22,-1.2 -0.903 17.4 171.6-114.3 128.0 6.6 12.0 47.6 89 93 A E E - d 0 115B 19 25,-1.7 27,-2.3 -2,-0.5 -2,-0.0 -0.993 17.2-171.4-138.4 126.7 8.8 11.2 44.6 90 94 A A + 0 0 66 -2,-0.4 2,-0.5 25,-0.2 -1,-0.1 0.784 66.1 84.3 -83.9 -31.5 9.8 7.8 43.4 91 95 A D > - 0 0 72 1,-0.1 4,-2.8 25,-0.1 5,-0.2 -0.634 64.9-152.5 -86.5 125.2 12.4 8.8 40.8 92 96 A A H > S+ 0 0 56 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.888 96.7 48.5 -63.4 -41.1 15.9 9.4 42.1 93 97 A H H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 112.5 48.2 -67.0 -42.0 16.8 11.9 39.4 94 98 A H H > S+ 0 0 30 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.930 110.6 52.3 -61.8 -44.3 13.6 13.9 39.9 95 99 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.910 108.5 51.1 -59.2 -41.7 14.1 13.9 43.7 96 100 A Q H X S+ 0 0 85 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.928 113.3 43.8 -59.2 -49.2 17.7 15.3 43.1 97 101 A V H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.926 113.1 51.8 -63.2 -45.8 16.4 18.1 40.9 98 102 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 -31,-0.4 -2,-0.2 0.896 105.4 55.8 -57.4 -42.0 13.5 18.8 43.2 99 103 A R H X S+ 0 0 123 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.921 108.6 48.0 -58.4 -44.9 15.9 19.1 46.2 100 104 A E H X S+ 0 0 108 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.887 112.4 48.1 -63.3 -40.6 17.9 21.8 44.4 101 105 A N H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.854 108.3 54.2 -70.0 -36.7 14.7 23.7 43.5 102 106 A L H <>S+ 0 0 6 -4,-2.6 5,-2.1 2,-0.2 6,-0.7 0.896 112.2 44.7 -61.0 -42.1 13.3 23.6 47.0 103 107 A Q H ><5S+ 0 0 139 -4,-1.8 3,-1.3 -5,-0.2 -2,-0.2 0.939 111.8 51.8 -69.1 -47.5 16.6 25.1 48.3 104 108 A L H 3<5S+ 0 0 62 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.876 111.7 47.5 -54.1 -41.9 16.7 27.7 45.6 105 109 A A T 3<5S- 0 0 18 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.482 110.9-122.1 -82.8 -6.0 13.2 28.8 46.4 106 110 A G T < 5S+ 0 0 45 -3,-1.3 -3,-0.2 -4,-0.4 3,-0.1 0.770 83.6 108.1 72.5 28.7 13.8 29.0 50.1 107 111 A V >>< + 0 0 0 -5,-2.1 4,-1.9 -6,-0.2 3,-0.6 0.249 37.9 106.9-115.5 9.8 11.1 26.5 51.1 108 112 A D T 34 S+ 0 0 88 -6,-0.7 5,-0.1 1,-0.2 -5,-0.1 0.632 75.9 56.0 -73.7 -11.8 13.3 23.6 52.1 109 113 A Q T 34 S+ 0 0 192 -7,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.810 112.8 41.1 -81.7 -33.3 12.6 24.0 55.8 110 114 A R T <4 S+ 0 0 62 -3,-0.6 -25,-2.3 -26,-0.1 2,-0.4 0.754 107.8 73.2 -82.6 -28.0 8.8 23.7 55.3 111 115 A V E < -d 85 0B 11 -4,-1.9 2,-0.5 -27,-0.2 -25,-0.2 -0.755 59.3-164.2 -98.0 133.4 9.0 20.9 52.8 112 116 A T E -d 86 0B 62 -27,-3.0 -25,-2.9 -2,-0.4 2,-0.6 -0.978 10.4-159.5-112.3 119.4 9.9 17.3 53.5 113 117 A L E -d 87 0B 39 -2,-0.5 2,-0.7 -27,-0.2 -25,-0.2 -0.894 4.6-168.2-102.7 116.0 10.8 15.3 50.4 114 118 A R E -d 88 0B 108 -27,-2.5 -25,-1.7 -2,-0.6 2,-0.4 -0.916 8.6-155.6-108.8 109.7 10.5 11.5 50.8 115 119 A E E +d 89 0B 93 -2,-0.7 -25,-0.2 -27,-0.2 -23,-0.1 -0.683 50.5 63.6 -87.2 135.1 12.1 9.6 48.0 116 120 A G S S- 0 0 17 -27,-2.3 -25,-0.1 -2,-0.4 -2,-0.1 -0.768 96.9 -24.6 139.4 172.9 10.9 6.1 47.2 117 121 A P > - 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