==== 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 08-FEB-11 3QNE . 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) . 21985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 73.9 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 . 2 0.5 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 . 25 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 3 1 0 3 1 0 0 2 0 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 34 0, 0.0 374,-0.2 0, 0.0 375,-0.1 0.000 360.0 360.0 360.0 171.2 1.7 30.4 -18.5 2 2 A L - 0 0 12 103,-0.4 2,-0.1 106,-0.3 106,-0.1 -0.370 360.0 -90.7 -73.9 157.5 3.2 33.8 -17.7 3 3 A D > - 0 0 27 1,-0.1 3,-1.3 -2,-0.1 4,-0.5 -0.453 28.0-127.5 -63.4 138.9 5.2 35.8 -20.2 4 4 A I G > S+ 0 0 52 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.892 110.6 59.9 -50.1 -40.1 8.9 35.1 -20.2 5 5 A N G > S+ 0 0 48 1,-0.3 3,-1.2 2,-0.2 6,-0.3 0.708 86.9 73.2 -68.9 -18.5 9.4 38.9 -19.8 6 6 A A G < S+ 0 0 29 -3,-1.3 8,-2.3 1,-0.3 -1,-0.3 0.771 98.0 50.3 -62.8 -24.1 7.4 39.0 -16.6 7 7 A F G < S+ 0 0 0 -3,-1.5 2,-0.7 -4,-0.5 -1,-0.3 0.553 96.4 81.8 -87.4 -10.3 10.5 37.3 -15.0 8 8 A L X > - 0 0 1 -3,-1.2 5,-2.7 -4,-0.2 3,-1.8 -0.850 54.5-169.5-111.8 106.3 13.0 39.8 -16.4 9 9 A V G > 5S+ 0 0 101 -2,-0.7 3,-1.3 1,-0.3 -1,-0.2 0.874 91.7 57.8 -62.5 -31.8 13.4 43.1 -14.5 10 10 A E G 3 5S+ 0 0 114 1,-0.3 -1,-0.3 2,-0.1 -5,-0.0 0.649 105.3 51.7 -74.7 -11.3 15.4 44.4 -17.4 11 11 A K G < 5S- 0 0 91 -3,-1.8 -1,-0.3 -6,-0.3 -2,-0.2 -0.084 130.8 -89.0-114.9 32.1 12.5 43.8 -19.7 12 12 A G T < 5S+ 0 0 76 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.574 86.0 140.0 76.4 10.9 9.9 45.6 -17.7 13 13 A G < - 0 0 18 -5,-2.7 -7,-0.2 -8,-0.2 -6,-0.2 -0.106 49.7-140.0 -82.5 179.5 9.1 42.5 -15.7 14 14 A D >> + 0 0 75 -8,-2.3 4,-1.5 1,-0.1 3,-0.5 -0.536 26.5 164.8-142.0 71.1 8.4 41.9 -12.0 15 15 A P H 3> S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.814 77.5 62.0 -60.2 -29.9 10.0 38.8 -10.6 16 16 A E H 3> S+ 0 0 128 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 103.0 50.3 -61.4 -40.2 9.5 39.9 -7.0 17 17 A I H <> S+ 0 0 71 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.907 110.2 50.1 -63.9 -37.6 5.7 39.9 -7.6 18 18 A I H X S+ 0 0 2 -4,-1.5 4,-3.0 -12,-0.2 -2,-0.2 0.921 110.6 49.9 -67.9 -40.8 6.0 36.3 -9.1 19 19 A K H X S+ 0 0 38 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.931 110.7 48.9 -60.8 -47.4 8.0 35.2 -6.0 20 20 A A H X S+ 0 0 46 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.911 112.7 49.0 -57.7 -41.9 5.4 36.7 -3.6 21 21 A S H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.956 108.5 52.0 -65.2 -49.9 2.7 34.9 -5.6 22 22 A Q H X>S+ 0 0 1 -4,-3.0 5,-3.0 1,-0.2 4,-0.7 0.893 110.1 50.5 -49.5 -44.4 4.5 31.6 -5.5 23 23 A K H ><5S+ 0 0 155 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.925 108.8 50.2 -63.2 -46.9 4.8 32.0 -1.7 24 24 A K H 3<5S+ 0 0 26 -4,-2.4 95,-0.3 1,-0.3 -1,-0.2 0.857 111.3 50.3 -57.3 -35.8 1.0 32.7 -1.4 25 25 A R H 3<5S- 0 0 7 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.656 112.0-121.8 -74.1 -18.1 0.3 29.6 -3.5 26 26 A G T <<5S+ 0 0 48 -3,-1.0 -3,-0.2 -4,-0.7 2,-0.2 0.763 71.4 131.2 72.2 26.9 2.6 27.5 -1.3 27 27 A D < - 0 0 67 -5,-3.0 -1,-0.3 -6,-0.2 2,-0.1 -0.596 67.9 -62.7-106.9 173.6 4.6 26.7 -4.5 28 28 A S - 0 0 61 -2,-0.2 4,-0.2 1,-0.2 -1,-0.1 -0.279 37.6-175.3 -63.1 125.4 8.3 26.9 -5.2 29 29 A V S >> S+ 0 0 56 1,-0.1 3,-1.6 2,-0.1 4,-0.6 0.823 81.9 64.7 -85.7 -33.5 9.9 30.3 -4.9 30 30 A E H 3> S+ 0 0 135 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.796 84.3 76.6 -58.4 -31.8 13.3 29.2 -6.1 31 31 A L H 3> S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.822 89.8 57.0 -48.3 -37.0 11.7 28.3 -9.5 32 32 A V H <> S+ 0 0 0 -3,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.941 107.7 44.6 -64.5 -48.7 11.7 32.1 -10.3 33 33 A D H X S+ 0 0 89 -4,-0.6 4,-2.4 -3,-0.3 -2,-0.2 0.867 113.0 53.7 -62.5 -35.1 15.5 32.5 -9.8 34 34 A E H X S+ 0 0 78 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.915 107.6 49.2 -66.3 -44.6 16.0 29.3 -11.8 35 35 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.947 111.6 49.5 -58.0 -46.9 14.0 30.6 -14.7 36 36 A I H X S+ 0 0 27 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.915 112.0 48.0 -61.4 -43.2 16.0 33.9 -14.7 37 37 A A H X S+ 0 0 53 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.921 112.0 48.4 -63.3 -44.3 19.3 32.0 -14.6 38 38 A E H X S+ 0 0 46 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.875 107.0 57.8 -68.2 -32.6 18.3 29.7 -17.4 39 39 A Y H X S+ 0 0 21 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.935 104.5 50.8 -61.2 -45.6 17.1 32.7 -19.4 40 40 A K H X S+ 0 0 115 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.893 109.8 49.9 -59.9 -40.8 20.6 34.3 -19.2 41 41 A E H X S+ 0 0 88 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.932 109.2 52.3 -62.1 -43.5 22.2 31.1 -20.5 42 42 A W H X S+ 0 0 56 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.935 109.6 49.1 -56.9 -44.0 19.7 31.0 -23.3 43 43 A V H X S+ 0 0 31 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.884 108.6 52.9 -62.6 -41.0 20.7 34.6 -24.2 44 44 A K H X S+ 0 0 118 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.907 109.0 50.2 -61.1 -41.7 24.4 33.7 -24.1 45 45 A L H X S+ 0 0 31 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.928 109.3 51.0 -61.6 -44.4 23.7 30.9 -26.5 46 46 A R H X S+ 0 0 82 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.893 111.1 47.9 -60.9 -43.0 21.8 33.2 -28.9 47 47 A F H X S+ 0 0 127 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.936 111.8 50.0 -60.3 -47.7 24.7 35.7 -28.9 48 48 A D H X S+ 0 0 58 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.893 110.5 50.3 -60.7 -40.2 27.2 32.9 -29.5 49 49 A L H X S+ 0 0 16 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.948 110.7 49.1 -62.4 -48.2 25.0 31.7 -32.4 50 50 A D H X S+ 0 0 69 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.884 110.0 50.8 -60.8 -39.3 24.8 35.2 -33.9 51 51 A E H X S+ 0 0 104 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.889 110.2 50.4 -65.8 -38.4 28.6 35.7 -33.6 52 52 A H H X S+ 0 0 10 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.914 107.6 53.5 -65.0 -43.4 29.2 32.3 -35.4 53 53 A N H X S+ 0 0 60 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.927 111.8 44.8 -54.4 -45.6 26.8 33.3 -38.2 54 54 A K H X S+ 0 0 150 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.909 114.6 47.3 -70.4 -41.2 28.7 36.5 -38.8 55 55 A K H X S+ 0 0 115 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.909 112.4 51.2 -61.7 -44.0 32.2 34.8 -38.6 56 56 A L H X S+ 0 0 16 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.955 109.9 47.9 -59.6 -48.8 30.9 32.1 -40.9 57 57 A N H X S+ 0 0 97 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.903 112.9 51.9 -58.3 -39.6 29.6 34.6 -43.5 58 58 A S H X S+ 0 0 66 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.933 109.4 45.4 -63.0 -49.6 33.0 36.4 -43.2 59 59 A V H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.816 108.4 60.3 -69.4 -26.8 35.1 33.3 -43.8 60 60 A Q H X S+ 0 0 89 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.949 103.4 49.5 -60.3 -50.1 32.8 32.4 -46.7 61 61 A K H X S+ 0 0 154 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.891 111.0 50.4 -56.3 -40.0 33.6 35.7 -48.5 62 62 A E H X S+ 0 0 88 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.896 108.6 51.2 -67.0 -38.0 37.4 35.0 -48.0 63 63 A I H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.907 108.9 51.7 -65.5 -41.2 37.1 31.5 -49.4 64 64 A G H X S+ 0 0 42 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.939 112.1 46.5 -55.8 -49.5 35.3 33.0 -52.4 65 65 A K H X S+ 0 0 144 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.906 111.0 51.9 -57.7 -46.5 38.2 35.5 -52.8 66 66 A R H <>S+ 0 0 60 -4,-2.8 5,-3.1 1,-0.2 -2,-0.2 0.933 112.3 45.1 -60.5 -45.9 40.8 32.8 -52.4 67 67 A F H ><5S+ 0 0 107 -4,-2.6 3,-1.4 3,-0.2 -1,-0.2 0.892 109.9 55.6 -66.3 -40.8 39.2 30.6 -55.1 68 68 A K H 3<5S+ 0 0 172 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.930 109.5 46.1 -55.3 -48.8 38.8 33.6 -57.4 69 69 A A T 3<5S- 0 0 58 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.427 115.4-120.1 -74.2 2.0 42.6 34.3 -57.1 70 70 A K T < 5 + 0 0 186 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.875 66.1 143.7 58.6 37.8 43.2 30.5 -57.7 71 71 A E < - 0 0 112 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.807 58.9 -94.9-106.4 152.0 44.9 30.3 -54.3 72 72 A D - 0 0 94 -2,-0.3 4,-0.1 1,-0.1 3,-0.1 -0.319 32.4-172.4 -60.4 143.2 44.7 27.4 -51.8 73 73 A A > + 0 0 2 1,-0.1 4,-3.0 2,-0.1 5,-0.2 0.107 44.4 120.9-127.5 22.6 42.1 27.8 -49.2 74 74 A K H > S+ 0 0 146 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.885 77.4 52.2 -55.4 -42.9 42.8 24.9 -46.8 75 75 A D H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.936 113.8 42.3 -59.9 -45.4 43.4 27.3 -43.9 76 76 A L H > S+ 0 0 8 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.871 112.1 54.3 -69.5 -38.5 40.0 29.0 -44.4 77 77 A I H X S+ 0 0 56 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.924 107.8 50.5 -62.6 -41.3 38.2 25.8 -45.1 78 78 A A H X S+ 0 0 59 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.909 111.6 47.5 -60.2 -43.6 39.5 24.4 -41.8 79 79 A E H X S+ 0 0 96 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.922 111.4 52.3 -65.5 -41.0 38.3 27.6 -40.0 80 80 A K H X S+ 0 0 64 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.944 110.1 46.6 -58.1 -50.0 34.9 27.2 -41.7 81 81 A E H X S+ 0 0 97 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.873 112.8 50.0 -66.4 -35.2 34.5 23.6 -40.7 82 82 A K H X S+ 0 0 137 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.939 112.4 46.0 -65.1 -49.2 35.4 24.4 -37.1 83 83 A L H X S+ 0 0 13 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.901 114.5 51.2 -57.2 -40.7 33.0 27.4 -36.9 84 84 A S H X S+ 0 0 42 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.939 108.7 48.5 -63.0 -48.5 30.4 25.1 -38.4 85 85 A N H X S+ 0 0 96 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.879 112.9 49.0 -62.4 -37.2 31.0 22.3 -36.0 86 86 A E H X S+ 0 0 71 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.927 107.6 54.7 -65.0 -44.8 30.7 24.8 -33.1 87 87 A K H X S+ 0 0 52 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.882 104.1 55.9 -55.2 -41.5 27.5 26.2 -34.6 88 88 A K H X S+ 0 0 130 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.929 109.5 45.4 -55.1 -49.6 26.0 22.7 -34.6 89 89 A E H X S+ 0 0 111 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.937 112.5 50.2 -60.9 -48.9 26.6 22.4 -30.9 90 90 A I H X S+ 0 0 11 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.903 108.3 53.5 -57.1 -43.3 25.3 25.8 -30.1 91 91 A I H X S+ 0 0 79 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.926 110.5 47.0 -58.9 -44.8 22.1 25.2 -32.1 92 92 A E H X S+ 0 0 142 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.918 114.3 46.4 -62.9 -46.6 21.5 22.0 -30.1 93 93 A K H X S+ 0 0 113 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.949 109.6 53.5 -61.6 -48.2 22.1 23.7 -26.8 94 94 A E H X S+ 0 0 32 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.918 110.0 49.0 -52.7 -43.8 20.0 26.7 -27.6 95 95 A A H X S+ 0 0 54 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.911 113.2 46.3 -64.5 -42.3 17.1 24.3 -28.4 96 96 A E H X S+ 0 0 101 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.937 112.8 49.4 -65.0 -47.0 17.6 22.4 -25.2 97 97 A A H X S+ 0 0 8 -4,-3.6 4,-2.5 1,-0.2 -2,-0.2 0.899 111.1 50.2 -57.7 -41.6 17.8 25.6 -23.1 98 98 A D H X S+ 0 0 41 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.930 111.9 48.4 -64.9 -44.1 14.7 27.0 -24.8 99 99 A K H X S+ 0 0 127 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.937 113.9 44.2 -59.7 -50.6 12.8 23.7 -24.0 100 100 A N H X S+ 0 0 64 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.881 112.0 53.8 -65.5 -37.8 13.9 23.6 -20.3 101 101 A L H X S+ 0 0 7 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.939 110.2 47.2 -60.4 -46.1 13.1 27.3 -19.9 102 102 A R H X S+ 0 0 144 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 109.7 52.9 -65.9 -39.8 9.6 26.8 -21.2 103 103 A S H < S+ 0 0 60 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.866 110.9 47.8 -60.5 -37.7 9.0 23.7 -19.0 104 104 A K H >X S+ 0 0 61 -4,-2.0 3,-1.5 2,-0.2 4,-0.5 0.936 110.2 49.5 -69.2 -49.2 10.0 25.7 -15.9 105 105 A I H >< S+ 0 0 8 -4,-2.4 3,-2.0 1,-0.3 -103,-0.4 0.908 104.1 62.2 -56.5 -40.0 7.9 28.7 -16.7 106 106 A N T 3< S+ 0 0 60 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.729 97.3 58.3 -58.3 -23.1 5.0 26.3 -17.3 107 107 A Q T <4 S+ 0 0 106 -3,-1.5 2,-0.5 -4,-0.5 -1,-0.3 0.654 86.1 95.2 -81.6 -14.8 5.3 25.2 -13.6 108 108 A V S << S- 0 0 0 -3,-2.0 -106,-0.3 -4,-0.5 3,-0.1 -0.659 73.5-130.1 -85.9 125.2 4.7 28.7 -12.3 109 109 A G - 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0 0 0 5,-2.9 4,-2.5 -2,-0.4 3,-0.8 -0.515 29.1-142.4 -63.7 119.2 -36.1 22.3 3.3 144 144 A A T 34 S+ 0 0 6 -2,-0.4 -1,-0.2 1,-0.2 266,-0.1 0.867 92.8 43.2 -58.6 -38.6 -35.9 25.9 2.2 145 145 A A T 34 S+ 0 0 46 264,-2.2 -1,-0.2 1,-0.2 265,-0.2 0.660 126.7 27.2 -84.8 -14.7 -38.7 25.8 -0.4 146 146 A T T <4 S- 0 0 42 -3,-0.8 -2,-0.2 263,-0.6 -1,-0.2 0.558 89.0-130.1-121.6 -17.6 -41.3 23.8 1.6 147 147 A G < + 0 0 51 -4,-2.5 -3,-0.1 262,-0.3 265,-0.1 0.538 62.5 138.6 74.0 4.0 -40.5 24.5 5.2 148 148 A A - 0 0 15 263,-0.4 -5,-2.9 -5,-0.3 -1,-0.2 -0.431 68.5 -87.3 -79.8 154.8 -40.6 20.7 5.8 149 149 A P B -H 142 0B 91 0, 0.0 2,-2.1 0, 0.0 -7,-0.3 -0.429 39.3-124.6 -54.2 132.6 -38.1 18.9 8.1 150 150 A A + 0 0 0 -9,-2.5 -8,-0.1 1,-0.2 259,-0.1 -0.593 53.9 156.1 -84.0 78.0 -35.1 18.1 5.9 151 151 A K + 0 0 115 -2,-2.1 2,-0.3 2,-0.1 -1,-0.2 0.776 48.2 54.0 -78.7 -30.5 -35.5 14.4 6.9 152 152 A L S S- 0 0 18 -3,-0.3 204,-0.2 256,-0.1 259,-0.1 -0.840 75.7-126.0-116.0 142.6 -33.9 12.8 3.9 153 153 A S > - 0 0 15 -2,-0.3 4,-2.6 203,-0.1 5,-0.2 -0.313 41.0 -99.9 -70.7 165.1 -30.4 13.1 2.2 154 154 A H H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 125.3 53.4 -57.0 -36.3 -30.4 13.9 -1.5 155 155 A H H > S+ 0 0 44 131,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.914 110.1 47.4 -65.9 -38.4 -29.6 10.2 -2.2 156 156 A E H > S+ 0 0 23 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.900 110.8 50.0 -71.0 -41.4 -32.7 9.1 -0.2 157 157 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.958 112.3 48.2 -60.1 -46.5 -35.0 11.6 -1.8 158 158 A L H <>S+ 0 0 4 -4,-2.4 5,-2.8 -5,-0.2 6,-0.4 0.886 111.8 49.9 -65.7 -38.0 -33.9 10.4 -5.2 159 159 A L H ><5S+ 0 0 39 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.919 109.5 50.3 -61.3 -46.2 -34.3 6.8 -4.3 160 160 A R H 3<5S+ 0 0 68 -4,-2.5 276,-3.2 1,-0.3 277,-2.2 0.786 110.6 50.2 -67.1 -25.5 -37.8 7.3 -2.9 161 161 A L T 3<5S- 0 0 10 -4,-1.7 22,-0.3 274,-0.3 -1,-0.3 0.483 109.3-126.3 -85.0 -4.7 -38.8 9.2 -6.2 162 162 A D T < 5 + 0 0 32 -3,-1.5 22,-0.2 -4,-0.2 -3,-0.2 0.926 66.3 139.5 56.4 44.9 -37.4 6.2 -8.2 163 163 A G < + 0 0 1 -5,-2.8 18,-2.1 -6,-0.1 2,-0.3 0.419 59.5 16.2-103.4 -1.9 -35.3 8.8 -10.0 164 164 A Y E -I 180 0C 4 -6,-0.4 16,-0.2 16,-0.3 -1,-0.1 -0.983 58.4-138.0-161.1 165.7 -32.0 7.0 -10.3 165 165 A D E > +I 179 0C 21 14,-2.4 4,-1.3 -2,-0.3 14,-1.0 -0.775 24.9 162.9-132.3 91.1 -30.4 3.6 -10.0 166 166 A P H > S+ 0 0 34 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.808 77.4 57.6 -75.3 -28.4 -27.0 3.4 -8.2 167 167 A E H > S+ 0 0 161 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.958 113.7 35.1 -70.2 -51.4 -27.2 -0.4 -7.7 168 168 A R H > S+ 0 0 136 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.854 116.8 58.7 -67.6 -32.0 -27.6 -1.4 -11.4 169 169 A G H X>S+ 0 0 0 -4,-1.3 4,-2.5 8,-0.2 5,-0.5 0.955 105.6 47.2 -60.2 -49.7 -25.2 1.6 -12.2 170 170 A V H X5S+ 0 0 71 -4,-2.7 4,-1.9 7,-0.5 -1,-0.2 0.900 109.8 54.3 -61.5 -38.9 -22.5 0.1 -10.0 171 171 A R H <5S+ 0 0 172 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.901 114.9 39.7 -60.6 -40.9 -22.9 -3.3 -11.6 172 172 A I H <5S+ 0 0 99 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.844 136.5 8.6 -82.5 -35.3 -22.5 -2.0 -15.1 173 173 A V H <5S- 0 0 107 -4,-2.5 -3,-0.2 1,-0.3 2,-0.2 0.403 95.0-133.3-130.2 1.0 -19.7 0.6 -14.8 174 174 A G ><< + 0 0 27 -4,-1.9 3,-2.6 -5,-0.5 -1,-0.3 -0.495 67.4 45.1 87.3-152.0 -18.3 0.3 -11.3 175 175 A H T 3 S- 0 0 105 1,-0.3 117,-0.3 -2,-0.2 -4,-0.0 0.046 129.2 -13.0 -41.4 117.0 -17.5 2.9 -8.7 176 176 A R T 3 S+ 0 0 56 1,-0.2 -1,-0.3 115,-0.1 116,-0.2 0.652 92.2 161.1 67.1 13.4 -20.3 5.6 -8.3 177 177 A G < + 0 0 8 -3,-2.6 -7,-0.5 -11,-0.1 2,-0.3 -0.362 10.9 169.4 -64.3 149.3 -21.9 4.4 -11.5 178 178 A Y - 0 0 44 -9,-0.4 2,-0.4 -10,-0.1 -14,-0.0 -0.995 32.1-146.1-157.9 149.6 -25.6 5.4 -12.0 179 179 A F E -I 165 0C 102 -14,-1.0 -14,-2.4 -2,-0.3 2,-0.3 -0.900 24.1-135.1-102.2 151.4 -28.5 5.5 -14.4 180 180 A L E -I 164 0C 38 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.3 -0.813 27.2-163.1 -95.4 148.7 -31.0 8.4 -14.1 181 181 A R > - 0 0 116 -18,-2.1 3,-2.7 -2,-0.3 4,-0.3 -0.985 41.2 -39.3-136.6 139.8 -34.6 7.2 -14.3 182 182 A N T >> S+ 0 0 82 -2,-0.4 4,-2.0 1,-0.3 3,-1.0 -0.104 133.0 11.0 53.2-123.0 -38.0 8.9 -15.0 183 183 A Y H 3> S+ 0 0 81 -22,-0.3 4,-2.8 1,-0.3 -1,-0.3 0.742 122.8 67.0 -64.5 -21.9 -38.1 12.3 -13.3 184 184 A G H <> S+ 0 0 1 -3,-2.7 4,-1.6 -22,-0.2 -1,-0.3 0.911 106.3 43.2 -60.1 -39.9 -34.4 12.1 -12.6 185 185 A V H <> S+ 0 0 61 -3,-1.0 4,-2.6 -4,-0.3 5,-0.2 0.943 114.3 49.0 -69.3 -47.9 -33.9 12.3 -16.4 186 186 A F H X S+ 0 0 83 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.880 111.4 49.8 -63.1 -37.7 -36.5 15.1 -16.8 187 187 A L H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.886 110.2 50.0 -67.1 -41.5 -35.0 17.2 -14.0 188 188 A N H X S+ 0 0 6 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.963 114.2 44.3 -62.2 -48.8 -31.5 16.8 -15.4 189 189 A Q H X S+ 0 0 86 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.869 110.0 57.0 -60.2 -40.3 -32.8 17.9 -18.9 190 190 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.930 108.6 45.6 -56.9 -47.4 -34.8 20.7 -17.3 191 191 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.916 112.9 50.5 -64.5 -42.0 -31.7 22.2 -15.7 192 192 A I H X S+ 0 0 3 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.962 117.6 38.5 -58.4 -49.6 -29.7 21.8 -18.9 193 193 A N H X S+ 0 0 67 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.899 116.7 49.6 -74.4 -38.0 -32.3 23.6 -21.0 194 194 A Y H X S+ 0 0 19 -4,-3.0 4,-3.3 -5,-0.3 5,-0.2 0.959 112.3 50.6 -60.9 -46.8 -33.2 26.2 -18.3 195 195 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.903 111.6 46.1 -57.2 -47.0 -29.5 26.9 -18.0 196 196 A L H X S+ 0 0 36 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.902 116.0 46.0 -63.3 -41.4 -29.0 27.4 -21.7 197 197 A S H X S+ 0 0 47 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.892 110.9 53.1 -70.0 -38.1 -32.1 29.5 -22.0 198 198 A F H < S+ 0 0 20 -4,-3.3 4,-0.5 -5,-0.2 -2,-0.2 0.951 115.6 39.5 -62.2 -49.2 -31.1 31.6 -18.9 199 199 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.2 -5,-0.2 3,-1.2 0.898 112.1 55.0 -70.3 -39.8 -27.7 32.3 -20.3 200 200 A S H ><5S+ 0 0 52 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.886 102.4 58.1 -64.1 -33.2 -28.8 32.9 -23.9 201 201 A S T 3<5S+ 0 0 103 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.714 104.0 54.5 -65.3 -19.1 -31.3 35.5 -22.7 202 202 A K T < 5S- 0 0 71 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.239 129.5 -98.0 -96.6 12.2 -28.2 37.2 -21.3 203 203 A G T < 5S+ 0 0 56 -3,-2.0 67,-0.3 1,-0.3 2,-0.2 0.552 75.9 143.6 87.6 7.5 -26.5 37.2 -24.7 204 204 A Y < - 0 0 8 -5,-2.2 -1,-0.3 -6,-0.1 67,-0.3 -0.575 50.6-125.3 -77.0 147.4 -24.4 34.2 -24.2 205 205 A V E -b 271 0A 77 65,-3.0 67,-2.1 -2,-0.2 2,-0.1 -0.809 23.3-123.4 -93.1 119.4 -23.9 31.9 -27.3 206 206 A P E +b 272 0A 72 0, 0.0 2,-0.4 0, 0.0 67,-0.2 -0.431 35.4 179.3 -62.0 134.1 -24.9 28.3 -26.7 207 207 A L E -b 273 0A 28 65,-2.6 67,-2.2 -2,-0.1 2,-0.7 -0.941 18.1-160.4-142.6 114.2 -21.9 26.0 -27.4 208 208 A Q E -b 274 0A 146 -2,-0.4 67,-0.2 65,-0.2 65,-0.1 -0.878 22.0-151.8 -99.2 118.5 -22.0 22.3 -27.1 209 209 A A - 0 0 10 65,-1.7 67,-0.2 -2,-0.7 2,-0.1 -0.578 17.6-108.2 -93.1 150.2 -18.4 21.0 -26.9 210 210 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.449 23.7-140.2 -65.9 149.2 -16.9 17.7 -27.9 211 211 A V S S+ 0 0 45 -2,-0.1 33,-2.3 32,-0.1 2,-0.4 0.361 81.5 71.5 -98.6 1.1 -16.0 15.6 -24.8 212 212 A M E -J 243 0D 90 31,-0.2 2,-0.3 29,-0.0 31,-0.2 -0.922 63.0-174.9-111.7 146.9 -12.8 14.3 -26.4 213 213 A M E -J 242 0D 14 29,-2.2 29,-2.5 -2,-0.4 2,-0.1 -0.999 29.8-108.1-139.4 142.3 -9.7 16.5 -26.9 214 214 A N E > -J 241 0D 85 -2,-0.3 4,-2.3 27,-0.2 3,-0.3 -0.405 32.8-122.0 -64.6 143.8 -6.3 16.0 -28.5 215 215 A K H > S+ 0 0 63 25,-0.5 4,-2.4 1,-0.2 5,-0.2 0.881 106.8 54.3 -56.5 -45.0 -3.5 15.8 -26.0 216 216 A E H > S+ 0 0 165 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.879 112.0 43.6 -65.3 -37.2 -1.5 18.7 -27.4 217 217 A V H >> S+ 0 0 53 -3,-0.3 3,-0.8 2,-0.2 4,-0.7 0.917 112.8 52.0 -70.3 -43.5 -4.4 21.1 -27.2 218 218 A M H >X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 3,-1.1 0.894 104.6 57.6 -59.3 -38.1 -5.4 19.9 -23.8 219 219 A A H 3< S+ 0 0 49 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.778 101.2 57.4 -67.0 -25.2 -1.9 20.4 -22.5 220 220 A K H << S+ 0 0 110 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.693 118.0 30.1 -78.4 -19.3 -2.0 24.0 -23.5 221 221 A T H << S+ 0 0 12 -3,-1.1 2,-0.4 -4,-0.7 -2,-0.2 0.665 115.3 58.6-111.9 -19.3 -5.1 24.8 -21.4 222 222 A A S < S- 0 0 13 -4,-2.5 -1,-0.1 -5,-0.2 5,-0.1 -0.902 78.7-115.5-121.1 143.9 -4.7 22.4 -18.5 223 223 A Q >> - 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