==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 11-JAN-12 4D9P . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR D.HAMMOUDEH,R.E.LEE,S.W.WHITE . 525 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.9 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 . 2 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 . 44 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 0 2 0 4 2 0 0 2 1 1 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 8 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 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 K 0 0 173 0, 0.0 2,-0.5 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -49.7 -33.2 28.3 -11.7 2 3 A W - 0 0 34 1,-0.1 14,-0.1 2,-0.0 13,-0.1 -0.945 360.0-163.6-101.2 126.4 -32.2 25.0 -10.1 3 4 A D S S+ 0 0 154 -2,-0.5 2,-0.3 12,-0.1 -1,-0.1 0.172 70.5 48.3 -96.2 16.9 -34.2 22.1 -11.6 4 5 A Y S S- 0 0 27 166,-0.0 11,-0.4 3,-0.0 2,-0.3 -0.974 76.0-123.4-146.9 158.5 -33.4 19.8 -8.7 5 6 A D - 0 0 70 -2,-0.3 2,-0.8 9,-0.1 9,-0.2 -0.743 37.4-104.3 -95.6 152.8 -33.3 19.7 -4.9 6 7 A L E -A 13 0A 0 7,-3.0 7,-2.7 -2,-0.3 2,-0.6 -0.706 39.5-143.9 -78.8 109.5 -30.1 18.9 -3.0 7 8 A R E +A 12 0A 112 -2,-0.8 2,-0.4 5,-0.2 5,-0.2 -0.698 26.3 172.6 -88.6 115.1 -30.8 15.3 -1.8 8 9 A C E > -A 11 0A 0 3,-2.6 3,-3.0 -2,-0.6 2,-0.3 -0.629 49.4-105.0-123.0 69.5 -29.4 14.6 1.7 9 10 A G T 3 S+ 0 0 58 -2,-0.4 -1,-0.2 1,-0.3 99,-0.0 -0.258 109.8 9.7 47.7-103.5 -30.7 11.1 2.6 10 11 A E T 3 S+ 0 0 133 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.785 130.6 59.2 -71.6 -30.4 -33.5 11.9 5.1 11 12 A Y E < -A 8 0A 34 -3,-3.0 -3,-2.6 76,-0.0 2,-0.4 -0.730 64.9-157.1-106.6 151.8 -33.4 15.7 4.4 12 13 A T E -A 7 0A 72 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.993 5.8-153.6-128.0 133.9 -33.9 17.7 1.2 13 14 A L E -A 6 0A 14 -7,-2.7 -7,-3.0 -2,-0.4 2,-0.5 -0.932 8.8-145.6-113.1 114.2 -32.6 21.2 0.5 14 15 A N - 0 0 51 -2,-0.6 4,-0.5 -9,-0.2 -9,-0.1 -0.667 8.0-165.1 -75.1 121.3 -34.5 23.4 -1.9 15 16 A L S S+ 0 0 2 -2,-0.5 -1,-0.1 -11,-0.4 5,-0.1 0.545 81.3 54.2 -86.5 -7.8 -31.8 25.5 -3.7 16 17 A N S S+ 0 0 58 -14,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.788 95.2 59.1 -96.6 -32.7 -34.4 28.0 -5.1 17 18 A E S S- 0 0 108 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.839 113.4 -17.4 -73.0 -34.7 -36.4 29.3 -2.1 18 19 A K S S- 0 0 67 -4,-0.5 2,-0.4 247,-0.1 -1,-0.2 -0.984 74.8 -78.0-164.8 160.7 -33.7 30.8 0.1 19 20 A T - 0 0 2 -2,-0.3 2,-0.4 237,-0.1 224,-0.2 -0.606 52.8-128.9 -68.8 126.9 -30.0 31.1 0.9 20 21 A L E -b 243 0B 1 222,-2.9 224,-2.3 -2,-0.4 2,-0.6 -0.703 16.3-141.3 -86.5 129.5 -29.1 28.0 2.8 21 22 A I E -b 244 0B 1 -2,-0.4 36,-4.2 34,-0.4 37,-1.6 -0.813 10.5-164.2 -99.2 115.0 -27.3 28.6 6.1 22 23 A M E -bc 245 58B 0 222,-3.4 224,-2.7 -2,-0.6 2,-0.3 -0.886 14.7-151.8 -97.3 114.3 -24.5 26.2 7.1 23 24 A G E -bc 246 59B 0 35,-2.7 37,-3.0 -2,-0.7 2,-0.6 -0.695 11.5-128.4 -87.0 138.3 -23.7 26.7 10.8 24 25 A I E - c 0 60B 15 222,-2.0 2,-0.3 -2,-0.3 37,-0.1 -0.783 23.1-134.5 -89.6 117.0 -20.2 26.0 12.0 25 26 A L - 0 0 8 35,-2.3 2,-0.7 -2,-0.6 37,-0.3 -0.540 9.1-129.6 -74.1 129.2 -20.1 23.6 15.0 26 27 A N + 0 0 91 -2,-0.3 21,-0.2 17,-0.1 22,-0.1 -0.701 28.5 179.5 -68.9 114.2 -17.9 24.4 18.0 27 28 A V + 0 0 36 -2,-0.7 -1,-0.1 2,-0.0 17,-0.1 -0.015 6.0 173.4-112.2 31.2 -16.1 21.1 18.4 28 29 A T - 0 0 110 1,-0.1 15,-0.1 15,-0.1 16,-0.1 -0.151 26.4-138.4 -47.8 107.7 -13.9 22.1 21.4 29 30 A P - 0 0 56 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.315 7.8-118.2 -74.0 150.7 -12.3 18.8 22.4 30 31 A D > - 0 0 48 -2,-0.0 3,-1.0 7,-0.0 2,-0.1 -0.734 24.1-128.2 -83.8 132.9 -11.7 17.6 26.0 31 32 A S T 3 S+ 0 0 101 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 -0.473 98.3 32.8 -70.1 156.2 -8.2 17.1 27.1 32 33 A F T 3 S+ 0 0 220 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.455 103.6 110.0 71.0 1.9 -7.6 13.6 28.7 33 34 A S < - 0 0 28 -3,-1.0 -1,-0.2 1,-0.1 3,-0.1 -0.900 58.0-162.1-115.5 136.2 -10.3 12.3 26.2 34 35 A D S S- 0 0 116 -2,-0.4 2,-0.2 1,-0.4 -1,-0.1 0.849 71.9 -81.7 -69.4 -38.7 -9.9 10.1 23.1 35 36 A G S S+ 0 0 23 -3,-0.1 -1,-0.4 38,-0.1 38,-0.2 -0.683 105.3 72.7 145.6 160.2 -13.3 11.4 22.1 36 37 A G + 0 0 11 37,-0.3 264,-2.9 1,-0.3 265,-0.2 0.388 61.4 150.2 89.8 -3.6 -17.0 10.7 23.0 37 38 A S B > -J 299 0C 32 262,-0.3 4,-2.1 263,-0.1 5,-0.3 -0.220 55.5-115.4 -63.0 154.4 -16.8 12.2 26.5 38 39 A Y H > S+ 0 0 11 260,-2.0 4,-2.3 1,-0.2 5,-0.2 0.865 111.3 48.2 -63.6 -44.4 -20.0 13.8 27.9 39 40 A N H > S+ 0 0 95 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.845 113.3 49.6 -67.5 -33.7 -18.9 17.4 28.1 40 41 A E H > S+ 0 0 4 2,-0.2 4,-1.5 3,-0.1 -2,-0.2 0.951 117.3 37.3 -62.3 -57.4 -17.6 17.4 24.5 41 42 A V H X S+ 0 0 1 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.889 116.6 51.7 -70.2 -42.4 -20.6 15.8 22.9 42 43 A D H X S+ 0 0 23 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.890 108.9 51.0 -62.6 -41.3 -23.2 17.7 25.1 43 44 A A H X S+ 0 0 39 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.869 114.0 45.6 -62.6 -37.4 -21.5 21.1 24.3 44 45 A A H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.886 113.0 47.9 -73.9 -43.8 -21.7 20.3 20.6 45 46 A V H X S+ 0 0 2 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.895 112.3 51.5 -62.0 -40.0 -25.3 19.0 20.7 46 47 A R H X S+ 0 0 138 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.961 112.7 44.6 -63.6 -49.4 -26.2 22.2 22.7 47 48 A H H X S+ 0 0 24 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.843 112.1 52.7 -62.1 -36.5 -24.5 24.3 20.1 48 49 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.951 111.2 45.8 -63.4 -49.9 -26.1 22.4 17.2 49 50 A K H X S+ 0 0 76 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.914 112.3 53.2 -53.8 -47.4 -29.6 22.9 18.8 50 51 A E H X S+ 0 0 94 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.902 112.9 42.0 -57.4 -47.4 -28.8 26.5 19.3 51 52 A M H X>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.7 0.874 111.7 55.1 -70.9 -37.3 -27.8 27.0 15.7 52 53 A R H ><5S+ 0 0 89 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.902 110.0 48.1 -58.3 -39.0 -30.8 25.0 14.6 53 54 A D H 3<5S+ 0 0 115 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.721 107.8 55.7 -74.9 -20.4 -32.9 27.4 16.6 54 55 A E H 3<5S- 0 0 58 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.480 129.2 -85.9 -92.3 -6.5 -31.2 30.4 15.1 55 56 A G T <<5S+ 0 0 22 -3,-0.7 -34,-0.4 -4,-0.7 -3,-0.2 0.463 71.1 153.3 119.0 5.8 -31.9 29.4 11.4 56 57 A A < - 0 0 5 -5,-2.4 -1,-0.2 1,-0.1 -34,-0.2 -0.310 25.0-168.4 -62.9 146.9 -29.1 27.1 10.3 57 58 A H S S+ 0 0 35 -36,-4.2 2,-0.3 1,-0.3 -35,-0.2 0.604 73.0 25.3-110.7 -16.7 -30.0 24.6 7.6 58 59 A I E -c 22 0B 2 -37,-1.6 -35,-2.7 29,-0.1 2,-0.6 -0.983 69.6-138.6-144.4 144.2 -26.9 22.4 7.8 59 60 A I E -cd 23 89B 0 29,-2.5 31,-2.8 -2,-0.3 2,-0.6 -0.944 15.2-152.4-108.4 118.6 -24.5 21.7 10.6 60 61 A D E -cd 24 90B 2 -37,-3.0 -35,-2.3 -2,-0.6 2,-0.5 -0.802 14.6-172.9 -91.9 121.8 -20.8 21.5 9.6 61 62 A I E + d 0 91B 0 29,-3.1 31,-2.1 -2,-0.6 2,-0.1 -0.954 19.2 137.9-123.1 117.9 -18.8 19.2 11.9 62 63 A G 0 0 12 -2,-0.5 31,-0.1 -37,-0.3 29,-0.0 -0.167 360.0 360.0-129.5-145.1 -15.0 19.0 11.7 63 64 A G 0 0 74 29,-0.2 30,-0.1 -2,-0.1 -1,-0.0 0.183 360.0 360.0-169.9 360.0 -11.6 18.8 13.3 64 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 65 74 A V 0 0 103 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 119.5 -4.7 14.3 16.3 66 75 A S >> - 0 0 91 1,-0.0 4,-2.8 0, 0.0 3,-0.5 -0.470 360.0 -76.7 -99.7-178.7 -4.2 11.8 13.4 67 76 A V H 3> S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.846 130.1 49.9 -44.3 -50.4 -6.8 9.9 11.3 68 77 A E H 3> S+ 0 0 135 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.885 115.3 43.3 -63.3 -39.6 -7.6 7.4 14.0 69 78 A E H <> S+ 0 0 35 -3,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.871 108.8 57.6 -70.2 -41.4 -8.2 10.1 16.6 70 79 A E H X S+ 0 0 15 -4,-2.8 4,-1.7 2,-0.2 5,-0.2 0.889 107.7 47.9 -57.6 -43.1 -10.1 12.4 14.2 71 80 A I H X S+ 0 0 15 -4,-2.0 4,-3.4 1,-0.2 3,-0.4 0.957 110.5 51.3 -60.9 -50.8 -12.7 9.7 13.6 72 81 A K H < S+ 0 0 111 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.675 113.9 45.8 -62.7 -21.5 -13.0 9.0 17.4 73 82 A R H < S+ 0 0 70 -4,-1.4 4,-0.4 -3,-0.2 -37,-0.3 0.772 121.8 33.8 -85.8 -32.6 -13.6 12.7 17.9 74 83 A V H X S+ 0 0 3 -4,-1.7 4,-2.5 -3,-0.4 -2,-0.2 0.830 106.7 63.2-102.2 -34.1 -16.1 13.3 15.2 75 84 A V H X S+ 0 0 21 -4,-3.4 4,-2.9 2,-0.2 5,-0.2 0.955 103.9 48.1 -56.6 -55.1 -18.1 10.0 15.0 76 85 A P H > S+ 0 0 23 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.855 113.6 50.1 -60.9 -29.0 -19.6 10.3 18.5 77 86 A M H > S+ 0 0 4 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.887 111.1 46.9 -69.8 -41.6 -20.5 13.9 17.7 78 87 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.873 111.4 53.8 -68.1 -35.7 -22.1 13.0 14.4 79 88 A Q H X S+ 0 0 91 -4,-2.9 4,-1.1 -5,-0.2 -2,-0.2 0.941 115.2 37.9 -59.8 -50.8 -24.0 10.1 16.2 80 89 A A H X S+ 0 0 6 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.882 117.2 49.1 -74.4 -40.8 -25.4 12.4 18.8 81 90 A V H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.927 111.8 48.2 -65.3 -45.9 -26.1 15.5 16.6 82 91 A S H < S+ 0 0 31 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.788 115.2 48.0 -66.4 -27.5 -27.9 13.5 13.9 83 92 A K H < S+ 0 0 135 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.930 124.2 28.4 -71.4 -48.6 -29.9 11.8 16.7 84 93 A E H < S+ 0 0 53 -4,-2.6 2,-0.5 1,-0.2 -2,-0.2 0.558 115.7 56.9 -98.3 -15.1 -30.9 15.0 18.5 85 94 A V < - 0 0 0 -4,-3.0 2,-2.0 -5,-0.2 -1,-0.2 -0.939 69.3-147.4-125.8 109.1 -30.9 17.7 15.8 86 95 A K + 0 0 123 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.1 -0.523 64.1 104.4 -76.2 80.7 -33.2 17.1 12.8 87 96 A L S S- 0 0 24 -2,-2.0 -29,-0.1 -6,-0.1 -2,-0.1 -0.967 79.1 -95.2-160.1 138.7 -30.9 18.9 10.3 88 97 A P - 0 0 4 0, 0.0 -29,-2.5 0, 0.0 2,-0.4 -0.390 40.3-146.6 -64.3 140.5 -28.5 17.7 7.6 89 98 A I E -d 59 0B 0 17,-0.3 19,-2.7 -31,-0.2 20,-2.2 -0.887 6.3-155.3-110.5 137.2 -24.9 17.4 8.8 90 99 A S E -de 60 109B 0 -31,-2.8 -29,-3.1 -2,-0.4 2,-0.7 -0.921 14.1-136.4-107.0 142.3 -21.8 18.0 6.8 91 100 A I E -de 61 110B 0 18,-2.9 20,-3.0 -2,-0.4 2,-1.2 -0.875 13.1-146.2 -97.5 112.0 -18.5 16.3 7.6 92 101 A D E + e 0 111B 38 -31,-2.1 2,-0.3 -2,-0.7 -29,-0.2 -0.702 51.9 119.6 -80.9 99.3 -15.7 18.9 7.3 93 102 A T - 0 0 1 18,-1.8 21,-0.2 -2,-1.2 -2,-0.1 -0.982 53.0-160.5-158.8 149.5 -12.9 16.7 6.1 94 103 A Y S S+ 0 0 81 -2,-0.3 2,-0.4 18,-0.2 25,-0.3 0.380 70.8 98.8-104.5 -0.6 -10.4 16.2 3.2 95 104 A K > - 0 0 33 1,-0.1 4,-2.7 23,-0.1 5,-0.2 -0.751 66.0-145.6-100.6 128.7 -9.7 12.6 4.2 96 105 A A H > S+ 0 0 11 -2,-0.4 4,-2.5 1,-0.2 5,-0.1 0.910 99.9 47.2 -49.8 -52.4 -11.3 9.6 2.5 97 106 A E H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.857 113.0 48.4 -66.8 -37.7 -11.4 7.4 5.7 98 107 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.959 109.8 53.2 -63.1 -51.0 -12.8 10.2 7.8 99 108 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.919 109.9 48.3 -49.6 -51.7 -15.5 10.9 5.2 100 109 A K H X S+ 0 0 74 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.936 112.9 46.3 -54.2 -53.5 -16.6 7.2 5.2 101 110 A Q H X S+ 0 0 57 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.896 110.4 54.0 -59.6 -43.6 -16.8 6.9 9.0 102 111 A A H X>S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 4,-0.7 0.886 110.8 45.0 -58.7 -44.7 -18.7 10.2 9.3 103 112 A I H ><5S+ 0 0 20 -4,-2.0 3,-1.0 3,-0.3 -2,-0.2 0.928 111.8 51.9 -67.2 -45.3 -21.4 9.1 6.8 104 113 A E H 3<5S+ 0 0 129 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.856 110.8 50.9 -54.3 -36.8 -21.6 5.7 8.5 105 114 A A H 3<5S- 0 0 15 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.620 137.9 -81.6 -77.4 -17.5 -22.1 7.6 11.7 106 115 A G T <<5S+ 0 0 22 -3,-1.0 -17,-0.3 -4,-0.7 -3,-0.3 0.400 77.5 143.8 134.5 -0.2 -24.9 9.8 10.2 107 116 A A < - 0 0 4 -5,-2.8 -1,-0.3 -6,-0.1 -17,-0.2 -0.385 25.9-170.6 -70.0 147.0 -23.3 12.6 8.1 108 117 A H + 0 0 25 -19,-2.7 2,-0.4 1,-0.2 -18,-0.2 0.739 64.3 41.0-109.4 -35.3 -25.1 13.7 4.9 109 118 A I E -e 90 0B 0 -20,-2.2 -18,-2.9 22,-0.2 2,-0.5 -0.917 68.3-137.2-121.6 144.1 -22.7 16.0 3.1 110 119 A I E -ef 91 133B 0 22,-2.7 24,-3.3 -2,-0.4 2,-0.7 -0.883 12.7-163.2 -97.4 129.9 -19.0 15.9 2.6 111 120 A N E -ef 92 134B 5 -20,-3.0 -18,-1.8 -2,-0.5 2,-0.8 -0.874 11.9-178.0-114.9 98.2 -17.2 19.2 3.0 112 121 A D E > - f 0 135B 0 22,-2.0 3,-2.0 -2,-0.7 24,-1.9 -0.829 18.8-169.7-105.3 103.3 -13.7 18.9 1.4 113 122 A I T 3 S+ 0 0 38 -2,-0.8 -1,-0.1 1,-0.3 -19,-0.1 0.490 91.5 53.7 -64.9 -2.4 -11.4 22.0 1.7 114 123 A W T > S- 0 0 72 -21,-0.2 3,-2.2 5,-0.1 -1,-0.3 0.347 104.8-127.6-115.3 7.6 -9.1 20.3 -0.8 115 124 A G T < S- 0 0 0 -3,-2.0 46,-0.2 1,-0.3 47,-0.1 0.862 70.2 -55.2 52.7 45.1 -11.7 19.6 -3.5 116 125 A A T 3 S+ 0 0 0 3,-0.1 -1,-0.3 1,-0.1 7,-0.2 0.498 121.4 105.5 66.9 8.3 -10.9 15.9 -3.8 117 126 A K S < S+ 0 0 66 -3,-2.2 -2,-0.2 2,-0.1 -1,-0.1 0.778 71.2 52.2 -90.5 -28.7 -7.2 16.8 -4.4 118 127 A A S S+ 0 0 47 1,-0.3 -1,-0.1 -4,-0.1 -23,-0.1 0.931 133.3 8.6 -72.4 -42.4 -5.7 15.8 -1.1 119 128 A E > - 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