==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 09-FEB-11 3QO8 . COMPND 2 MOLECULE: SERYL-TRNA SYNTHETASE, CYTOPLASMIC; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR R.ROCHA,M.A.SANTOS,P.J.B.PEREIRA,S.MACEDO-RIBEIRO . 441 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0.5 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 . 23 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 2 1 2 1 1 0 0 1 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 1 2 0 0 1 1 1 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 3 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 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 1 A M 0 0 25 0, 0.0 376,-0.2 0, 0.0 377,-0.1 0.000 360.0 360.0 360.0 171.1 1.5 -30.7 18.3 2 2 A L - 0 0 10 101,-0.4 2,-0.1 104,-0.3 104,-0.1 -0.427 360.0 -89.8 -75.7 157.6 2.9 -34.1 17.4 3 3 A D > - 0 0 28 1,-0.1 3,-1.1 -2,-0.1 4,-0.4 -0.415 28.4-126.2 -64.5 141.8 4.9 -36.1 19.9 4 4 A I G > S+ 0 0 53 1,-0.2 3,-2.0 2,-0.2 4,-0.3 0.921 110.6 59.7 -50.1 -46.0 8.6 -35.6 19.9 5 5 A N G > S+ 0 0 69 1,-0.3 3,-1.4 2,-0.2 8,-0.5 0.719 87.3 74.3 -63.7 -20.3 9.1 -39.3 19.5 6 6 A A G < S+ 0 0 31 -3,-1.1 8,-1.0 1,-0.3 -1,-0.3 0.788 97.3 49.0 -60.6 -27.3 7.2 -39.2 16.2 7 7 A F G < S+ 0 0 1 -3,-2.0 2,-0.7 -4,-0.4 -1,-0.3 0.520 97.5 84.5 -87.0 -7.2 10.2 -37.6 14.6 8 8 A L X > - 0 0 0 -3,-1.4 5,-2.6 -4,-0.3 3,-1.6 -0.852 53.2-170.0-114.0 105.4 12.7 -40.2 16.0 9 9 A V G > 5S+ 0 0 97 -2,-0.7 3,-1.5 1,-0.3 -1,-0.2 0.867 92.7 56.5 -53.9 -39.3 13.3 -43.4 14.2 10 10 A E G 3 5S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.1 -5,-0.0 0.661 107.3 49.5 -71.6 -14.6 15.2 -44.7 17.2 11 11 A K G < 5S- 0 0 106 -3,-1.6 -1,-0.3 -6,-0.3 -2,-0.2 0.270 129.6 -91.7-106.8 7.2 12.2 -44.1 19.4 12 12 A G T < 5S+ 0 0 71 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.420 86.4 125.8 99.5 0.4 9.7 -45.8 17.1 13 13 A G < - 0 0 18 -5,-2.6 -1,-0.3 -8,-0.5 -6,-0.2 -0.196 54.3-135.4 -83.6 175.6 8.7 -42.8 15.1 14 14 A D >> - 0 0 65 -8,-1.0 4,-1.2 1,-0.1 3,-0.5 -0.777 16.8-179.8-134.9 96.6 8.6 -42.3 11.3 15 15 A P H 3> S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.759 84.0 65.3 -58.4 -27.8 10.0 -38.9 10.2 16 16 A E H 3> S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.910 98.9 50.8 -63.0 -45.2 9.2 -40.0 6.6 17 17 A I H <> S+ 0 0 80 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.881 110.9 49.9 -56.6 -41.1 5.5 -40.1 7.3 18 18 A I H X S+ 0 0 3 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.918 109.9 49.6 -68.6 -40.8 5.8 -36.6 8.7 19 19 A K H X S+ 0 0 28 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.901 110.4 50.4 -63.4 -42.7 7.7 -35.3 5.7 20 20 A A H X S+ 0 0 44 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.909 111.4 49.6 -61.1 -40.0 5.1 -36.8 3.3 21 21 A S H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.942 108.6 51.4 -66.0 -46.8 2.4 -35.1 5.4 22 22 A Q H X>S+ 0 0 1 -4,-2.7 5,-2.8 1,-0.2 4,-0.8 0.886 109.9 51.2 -54.6 -40.9 4.1 -31.8 5.3 23 23 A K H ><5S+ 0 0 132 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.934 108.8 49.4 -64.1 -47.7 4.4 -32.1 1.5 24 24 A K H 3<5S+ 0 0 27 -4,-2.3 93,-0.3 1,-0.3 -1,-0.2 0.845 111.0 51.7 -56.9 -36.0 0.6 -32.9 1.2 25 25 A R H 3<5S- 0 0 8 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.674 111.3-121.7 -74.7 -18.9 -0.1 -29.8 3.3 26 26 A G T <<5S+ 0 0 49 -3,-1.0 -3,-0.2 -4,-0.8 2,-0.2 0.731 73.0 127.8 75.7 24.1 2.1 -27.6 1.1 27 27 A D < - 0 0 67 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.1 -0.588 69.0 -60.0-109.5 174.4 4.1 -26.9 4.2 28 28 A S - 0 0 44 -2,-0.2 4,-0.2 1,-0.2 -1,-0.1 -0.286 35.5-177.4 -62.8 121.4 7.9 -27.0 5.1 29 29 A V S >> S+ 0 0 41 1,-0.2 3,-1.0 -2,-0.1 4,-0.7 0.707 82.3 68.6 -83.0 -24.7 9.5 -30.5 4.7 30 30 A E H 3> S+ 0 0 137 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.872 82.8 73.7 -61.2 -38.6 12.8 -29.0 5.9 31 31 A L H 3> S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.818 91.2 57.9 -42.3 -40.4 11.2 -28.5 9.4 32 32 A V H <> S+ 0 0 0 -3,-1.0 4,-2.2 -4,-0.2 -1,-0.2 0.947 106.6 43.7 -65.0 -50.8 11.4 -32.3 10.0 33 33 A D H X S+ 0 0 91 -4,-0.7 4,-2.3 -3,-0.4 -1,-0.2 0.899 114.5 52.3 -58.9 -41.1 15.2 -32.7 9.5 34 34 A E H X S+ 0 0 72 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.897 107.3 51.6 -61.7 -42.6 15.8 -29.6 11.6 35 35 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.931 110.3 49.2 -61.6 -43.2 13.7 -30.9 14.4 36 36 A I H X S+ 0 0 27 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.905 111.4 49.1 -63.3 -41.9 15.7 -34.2 14.3 37 37 A A H X S+ 0 0 51 -4,-2.3 4,-2.0 1,-0.2 3,-0.5 0.969 111.2 47.9 -63.0 -52.9 19.0 -32.3 14.4 38 38 A E H X S+ 0 0 52 -4,-2.6 4,-2.7 1,-0.3 -1,-0.2 0.862 107.5 57.6 -58.9 -35.2 18.1 -30.1 17.3 39 39 A Y H X S+ 0 0 18 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.3 0.914 105.8 49.6 -60.3 -41.6 16.8 -33.1 19.2 40 40 A K H X S+ 0 0 116 -4,-1.6 4,-2.3 -3,-0.5 -2,-0.2 0.891 110.1 50.4 -66.0 -38.9 20.2 -34.7 18.9 41 41 A E H X S+ 0 0 103 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.933 110.3 50.9 -61.5 -44.6 21.9 -31.5 20.1 42 42 A W H X S+ 0 0 41 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.933 109.4 49.7 -58.3 -46.6 19.5 -31.5 23.1 43 43 A V H X S+ 0 0 21 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.900 108.5 53.6 -59.9 -42.8 20.3 -35.1 23.9 44 44 A K H X S+ 0 0 123 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.930 109.6 47.9 -56.3 -47.7 24.0 -34.3 23.8 45 45 A L H X S+ 0 0 30 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.892 109.4 53.5 -61.1 -40.7 23.6 -31.5 26.2 46 46 A R H X S+ 0 0 90 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.911 110.4 46.8 -61.6 -43.7 21.5 -33.8 28.5 47 47 A F H X S+ 0 0 104 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.928 112.8 49.5 -62.0 -45.4 24.3 -36.4 28.6 48 48 A D H X S+ 0 0 57 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.907 110.9 49.4 -62.4 -42.4 26.9 -33.7 29.2 49 49 A L H X S+ 0 0 30 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.940 111.3 50.5 -58.9 -47.6 24.7 -32.3 32.1 50 50 A D H X S+ 0 0 82 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.911 110.9 48.3 -55.7 -46.7 24.4 -35.8 33.5 51 51 A E H X S+ 0 0 84 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.884 109.1 52.7 -63.4 -40.8 28.2 -36.3 33.3 52 52 A H H X S+ 0 0 11 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.891 108.6 51.0 -64.2 -38.8 28.9 -33.0 35.0 53 53 A N H X S+ 0 0 57 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.930 110.8 48.7 -61.2 -45.0 26.5 -34.0 37.8 54 54 A K H X S+ 0 0 124 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.941 114.8 44.5 -60.1 -48.2 28.4 -37.3 38.1 55 55 A K H X S+ 0 0 95 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.925 113.8 50.5 -61.7 -46.2 31.8 -35.5 38.2 56 56 A L H X S+ 0 0 13 -4,-3.1 4,-2.8 2,-0.2 5,-0.3 0.927 111.3 47.5 -58.4 -47.3 30.5 -32.8 40.6 57 57 A N H X S+ 0 0 106 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.906 113.5 48.9 -59.9 -42.0 29.1 -35.5 43.0 58 58 A S H X S+ 0 0 61 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.910 114.3 46.3 -62.0 -42.7 32.4 -37.3 42.8 59 59 A V H >X S+ 0 0 12 -4,-2.8 4,-2.3 2,-0.2 3,-0.7 0.928 112.6 45.2 -71.1 -49.0 34.4 -34.2 43.4 60 60 A Q H 3X S+ 0 0 96 -4,-2.8 4,-1.3 1,-0.3 -1,-0.2 0.769 110.3 57.0 -69.7 -23.2 32.5 -32.7 46.4 61 61 A K H 3X S+ 0 0 137 -4,-1.4 4,-0.6 -5,-0.3 -1,-0.3 0.712 108.6 47.3 -75.7 -22.3 32.5 -36.2 47.9 62 62 A E H XX S+ 0 0 76 -4,-0.7 4,-2.4 -3,-0.7 3,-0.5 0.851 105.8 57.5 -80.5 -40.7 36.3 -36.1 47.7 63 63 A I H 3< S+ 0 0 39 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.849 102.0 57.5 -56.9 -35.7 36.3 -32.6 49.2 64 64 A G H 3< S+ 0 0 42 -4,-1.3 3,-0.4 1,-0.2 -1,-0.2 0.871 109.2 44.4 -62.1 -38.2 34.5 -34.1 52.2 65 65 A K H << S+ 0 0 126 -4,-0.6 3,-0.4 -3,-0.5 -2,-0.2 0.914 109.7 51.6 -76.1 -45.0 37.3 -36.6 52.7 66 66 A R S < S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.453 80.3 101.6 -73.0 3.0 40.3 -34.3 52.3 67 67 A F 0 0 166 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.197 360.0 360.0 -71.7 18.9 38.5 -32.1 54.9 68 68 A K 0 0 166 -3,-0.4 -1,-0.1 0, 0.0 -3,-0.0 -0.793 360.0 360.0 -93.1 360.0 41.1 -33.6 57.2 69 ! 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 70 72 A D 0 0 110 0, 0.0 -7,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 95.8 44.5 -30.0 50.3 71 73 A A >> + 0 0 18 -8,-0.0 4,-2.0 0, 0.0 3,-0.7 -0.859 360.0 93.8-129.7 30.4 42.1 -29.0 49.0 72 74 A K H 3> S+ 0 0 158 1,-0.3 4,-1.3 2,-0.2 5,-0.0 0.606 93.2 56.5 -64.4 -13.2 42.4 -25.9 46.8 73 75 A D H 3> S+ 0 0 89 2,-0.2 4,-1.5 3,-0.1 -1,-0.3 0.853 106.4 47.1 -84.5 -39.1 42.8 -28.1 43.7 74 76 A L H <> S+ 0 0 16 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.859 114.6 49.3 -66.4 -35.2 39.5 -30.0 44.3 75 77 A I H X S+ 0 0 70 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.909 107.0 54.0 -68.6 -43.3 37.9 -26.6 44.9 76 78 A A H X S+ 0 0 57 -4,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.828 112.2 45.4 -59.9 -33.3 39.4 -25.2 41.8 77 79 A E H X S+ 0 0 82 -4,-1.5 4,-3.3 2,-0.2 5,-0.3 0.854 108.5 55.1 -79.6 -38.1 37.9 -28.1 39.8 78 80 A K H X S+ 0 0 57 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.952 109.6 47.5 -57.2 -49.0 34.5 -27.9 41.5 79 81 A E H X S+ 0 0 106 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.871 113.5 49.4 -62.0 -37.4 34.3 -24.2 40.4 80 82 A K H X S+ 0 0 111 -4,-1.2 4,-2.3 -5,-0.2 -2,-0.2 0.972 113.2 44.0 -62.8 -56.6 35.3 -25.2 36.9 81 83 A L H X S+ 0 0 4 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.885 114.3 52.3 -57.4 -39.2 32.8 -28.0 36.6 82 84 A S H X S+ 0 0 38 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.922 108.0 49.4 -65.4 -44.9 30.1 -25.8 38.1 83 85 A N H X S+ 0 0 98 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.889 112.7 48.4 -61.1 -39.0 30.8 -22.9 35.7 84 86 A E H X S+ 0 0 70 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.913 109.5 52.9 -65.2 -43.4 30.6 -25.4 32.8 85 87 A K H X S+ 0 0 59 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.905 104.4 55.9 -59.5 -44.0 27.4 -26.8 34.1 86 88 A K H X S+ 0 0 129 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.928 110.3 45.5 -52.2 -47.5 25.9 -23.3 34.3 87 89 A E H X S+ 0 0 88 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.935 112.7 49.3 -63.6 -47.8 26.6 -22.9 30.6 88 90 A I H X S+ 0 0 8 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.905 108.2 54.7 -57.8 -43.1 25.2 -26.3 29.7 89 91 A I H X S+ 0 0 76 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.890 110.1 47.1 -58.3 -39.7 22.1 -25.7 31.7 90 92 A E H X S+ 0 0 126 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.908 113.6 46.5 -69.9 -44.2 21.5 -22.5 29.7 91 93 A K H X S+ 0 0 107 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.896 110.3 53.8 -64.2 -41.9 22.1 -24.2 26.3 92 94 A E H X S+ 0 0 46 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.946 109.2 47.5 -59.6 -47.8 19.9 -27.1 27.2 93 95 A A H X S+ 0 0 56 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.865 112.6 49.8 -63.1 -36.7 17.0 -24.8 28.0 94 96 A E H X S+ 0 0 99 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.887 111.4 49.0 -67.9 -39.1 17.5 -22.9 24.8 95 97 A A H X S+ 0 0 15 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.908 110.3 49.9 -66.8 -43.4 17.6 -26.1 22.8 96 98 A D H X S+ 0 0 41 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.893 111.7 50.8 -61.7 -39.7 14.4 -27.4 24.4 97 99 A K H X S+ 0 0 139 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.924 113.2 42.4 -63.7 -48.6 12.8 -24.1 23.6 98 100 A N H X S+ 0 0 61 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.824 112.7 54.8 -71.0 -31.9 13.8 -24.0 19.9 99 101 A L H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 3,-0.2 0.971 110.9 43.3 -64.8 -52.3 13.0 -27.7 19.5 100 102 A R H X S+ 0 0 145 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.854 110.8 56.9 -63.5 -32.9 9.4 -27.3 20.8 101 103 A S H X S+ 0 0 62 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.894 110.6 43.9 -62.6 -41.3 9.0 -24.1 18.8 102 104 A K H >X S+ 0 0 41 -4,-1.8 3,-1.4 -3,-0.2 4,-0.6 0.930 111.7 51.5 -70.0 -46.6 9.8 -26.0 15.6 103 105 A I H >< S+ 0 0 7 -4,-2.7 3,-1.3 1,-0.3 -101,-0.4 0.879 102.9 61.9 -58.8 -35.3 7.7 -29.0 16.5 104 106 A N H 3< S+ 0 0 55 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.756 97.7 57.9 -61.6 -25.9 4.8 -26.5 17.1 105 107 A Q H << S+ 0 0 89 -3,-1.4 2,-0.4 -4,-0.6 -1,-0.3 0.688 85.6 96.2 -77.7 -19.2 5.0 -25.5 13.4 106 108 A V S << S- 0 0 0 -3,-1.3 -104,-0.3 -4,-0.6 3,-0.1 -0.605 72.6-132.4 -81.3 124.5 4.4 -29.0 12.1 107 109 A G - 0 0 0 -2,-0.4 238,-0.2 1,-0.1 237,-0.1 -0.222 33.9 -84.1 -68.2 160.3 0.8 -29.8 11.2 108 110 A N - 0 0 5 236,-3.4 2,-0.4 235,-0.2 -1,-0.1 -0.214 59.5 -83.5 -59.3 155.1 -0.9 -33.0 12.2 109 111 A I - 0 0 50 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.500 47.3-123.2 -66.0 117.9 -0.4 -36.1 10.1 110 112 A V - 0 0 4 -2,-0.4 238,-0.2 -92,-0.1 237,-0.1 -0.457 30.0-110.8 -64.8 126.3 -2.8 -36.0 7.2 111 113 A H > - 0 0 63 236,-2.6 3,-2.4 -2,-0.3 -1,-0.1 -0.282 22.1-120.8 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