==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING/INHIBITOR 20-JUL-11 3T0M . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.THIEL,C.OTTMANN . 229 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 80.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 1 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 2 1 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -3 A A 0 0 140 0, 0.0 3,-0.2 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 6.6 -1.7 9.2 6.3 2 -2 A M > + 0 0 40 1,-0.1 3,-1.8 2,-0.1 8,-0.1 0.409 360.0 103.5-108.8 8.1 0.3 11.8 8.2 3 -1 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.1 32,-0.0 0, 0.0 0.794 81.0 51.4 -63.4 -20.6 -2.5 14.3 8.8 4 0 A S T 3 S+ 0 0 125 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.512 92.0 92.0 -92.4 -3.6 -2.9 13.2 12.5 5 1 A M S < S- 0 0 37 -3,-1.8 5,-0.1 1,-0.1 -3,-0.0 -0.762 83.2-108.4 -98.4 136.7 0.8 13.5 13.4 6 2 A E > - 0 0 142 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.269 24.0-124.0 -54.4 140.3 2.3 16.8 14.8 7 3 A R H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.910 113.3 50.4 -48.4 -50.8 4.6 18.7 12.4 8 4 A A H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.854 109.1 51.1 -63.0 -33.5 7.4 18.6 14.9 9 5 A S H > S+ 0 0 43 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.893 107.9 52.3 -72.4 -35.2 7.0 14.8 15.4 10 6 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.904 111.5 46.9 -64.3 -41.6 7.1 14.3 11.6 11 7 A I H X S+ 0 0 14 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.923 112.5 49.6 -64.4 -46.8 10.4 16.3 11.4 12 8 A Q H X S+ 0 0 121 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.920 112.3 47.9 -57.4 -44.5 11.8 14.3 14.3 13 9 A K H X S+ 0 0 87 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.852 106.6 56.8 -67.9 -34.3 10.8 11.0 12.7 14 10 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.918 107.7 48.7 -61.9 -36.2 12.3 12.1 9.3 15 11 A K H X S+ 0 0 75 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.889 112.4 48.3 -70.0 -38.1 15.7 12.6 11.1 16 12 A L H X S+ 0 0 93 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.922 110.4 51.2 -65.5 -41.7 15.4 9.1 12.8 17 13 A A H <>S+ 0 0 8 -4,-3.1 5,-3.1 1,-0.2 -2,-0.2 0.868 107.5 53.5 -65.8 -37.8 14.5 7.5 9.4 18 14 A E H ><5S+ 0 0 73 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.928 108.7 49.2 -60.2 -42.5 17.6 9.2 7.9 19 15 A Q H 3<5S+ 0 0 153 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.849 114.1 46.2 -61.6 -35.6 19.8 7.6 10.7 20 16 A A T 3<5S- 0 0 64 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.343 112.1-122.4 -85.3 -2.1 18.2 4.3 10.0 21 17 A E T < 5 + 0 0 146 -3,-1.5 2,-1.0 -4,-0.2 -3,-0.2 0.825 64.7 143.5 56.0 40.8 18.6 4.7 6.2 22 18 A R >< + 0 0 144 -5,-3.1 4,-2.5 1,-0.2 -1,-0.2 -0.656 17.1 166.8-107.9 79.2 14.8 4.3 5.8 23 19 A Y H > + 0 0 56 -2,-1.0 4,-2.8 1,-0.2 32,-0.2 0.813 69.4 55.0 -74.6 -33.3 14.5 6.8 2.9 24 20 A E H > S+ 0 0 150 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 113.1 45.5 -62.9 -44.4 10.9 6.0 1.8 25 21 A D H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.931 110.6 53.5 -59.8 -44.1 9.8 6.6 5.4 26 22 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.905 110.4 47.7 -58.0 -45.0 11.9 9.8 5.6 27 23 A A H X S+ 0 0 5 -4,-2.8 4,-2.7 24,-0.3 -1,-0.2 0.898 110.2 50.6 -64.4 -38.9 10.1 11.0 2.4 28 24 A A H X S+ 0 0 39 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.911 111.6 48.6 -66.9 -35.1 6.7 10.1 3.7 29 25 A F H X S+ 0 0 33 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.915 114.0 46.3 -67.5 -44.2 7.4 12.0 7.0 30 26 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.865 109.5 53.0 -72.0 -31.6 8.7 15.1 5.1 31 27 A K H X S+ 0 0 69 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.934 110.2 50.7 -60.4 -48.1 5.7 15.0 2.7 32 28 A G H X S+ 0 0 3 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.911 109.9 49.0 -50.8 -45.9 3.5 15.0 5.8 33 29 A A H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 5,-0.4 0.925 110.1 50.0 -64.1 -45.6 5.4 18.0 7.2 34 30 A V H >< S+ 0 0 8 -4,-2.8 3,-2.3 1,-0.2 -1,-0.2 0.921 104.1 61.1 -57.0 -42.4 5.1 20.0 3.9 35 31 A E H 3< S+ 0 0 110 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.616 82.0 80.2 -69.1 -5.8 1.4 19.3 3.9 36 32 A K T << S- 0 0 71 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.696 103.4-127.4 -66.3 -21.1 1.0 21.1 7.2 37 33 A G < + 0 0 68 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.318 66.8 123.6 98.5 -12.4 1.1 24.2 5.1 38 34 A E - 0 0 130 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.557 69.8-101.1 -81.5 149.9 3.9 26.1 7.0 39 35 A E - 0 0 115 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.251 41.5-118.4 -60.0 154.8 7.0 27.3 5.2 40 36 A L - 0 0 9 66,-0.1 -1,-0.1 1,-0.0 2,-0.0 -0.803 18.4-128.8 -98.9 144.8 10.1 25.0 5.7 41 37 A S > - 0 0 51 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.266 35.4 -94.8 -77.5 171.9 13.3 26.1 7.4 42 38 A C H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.941 127.0 46.8 -51.8 -49.4 16.8 25.5 5.8 43 39 A E H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 112.7 49.2 -65.1 -39.7 17.3 22.3 7.8 44 40 A E H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.867 108.1 54.0 -67.1 -41.1 13.8 21.0 6.9 45 41 A R H X S+ 0 0 24 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.933 109.1 49.5 -58.9 -41.7 14.3 21.8 3.1 46 42 A N H X S+ 0 0 78 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.880 108.2 52.4 -66.7 -36.2 17.5 19.8 3.3 47 43 A L H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.909 110.2 49.2 -62.6 -42.9 15.6 16.9 4.9 48 44 A L H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.936 114.1 45.5 -61.9 -44.9 13.0 16.9 2.1 49 45 A S H X S+ 0 0 21 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.928 112.1 49.6 -66.4 -42.7 15.7 16.9 -0.6 50 46 A V H X S+ 0 0 40 -4,-2.6 4,-2.0 -5,-0.2 5,-0.2 0.928 111.4 50.6 -64.4 -40.3 17.8 14.2 1.0 51 47 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -24,-0.3 0.959 116.4 37.9 -63.9 -53.2 14.7 11.9 1.4 52 48 A Y H X S+ 0 0 14 -4,-2.2 4,-2.8 1,-0.2 5,-0.4 0.843 111.7 58.9 -70.9 -32.5 13.4 12.2 -2.1 53 49 A K H X S+ 0 0 117 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.885 110.8 43.9 -60.0 -41.2 17.0 12.2 -3.7 54 50 A N H X S+ 0 0 62 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.898 114.5 48.3 -73.0 -37.7 17.6 8.8 -2.1 55 51 A V H X S+ 0 0 17 -4,-2.3 4,-1.6 -32,-0.2 -2,-0.2 0.957 118.2 38.7 -65.0 -54.8 14.2 7.4 -3.0 56 52 A V H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.848 111.5 60.8 -65.0 -31.8 14.3 8.5 -6.7 57 53 A G H X S+ 0 0 27 -4,-1.6 4,-2.3 -5,-0.4 -2,-0.2 0.935 104.8 48.0 -62.3 -41.8 18.0 7.6 -6.8 58 54 A G H X S+ 0 0 46 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.892 114.0 47.4 -57.7 -44.8 17.2 4.0 -6.0 59 55 A Q H X S+ 0 0 29 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.894 111.1 50.4 -67.2 -42.3 14.5 4.0 -8.7 60 56 A R H X S+ 0 0 43 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.903 110.3 49.6 -65.4 -39.9 16.7 5.6 -11.3 61 57 A A H X S+ 0 0 56 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.915 113.8 46.1 -65.6 -42.1 19.5 3.0 -10.7 62 58 A A H X S+ 0 0 38 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.913 110.6 52.1 -65.0 -43.7 17.0 0.1 -11.0 63 59 A W H X S+ 0 0 42 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.889 108.9 52.4 -59.5 -39.8 15.4 1.6 -14.1 64 60 A R H X S+ 0 0 119 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.916 109.7 47.2 -59.5 -45.4 18.9 1.8 -15.6 65 61 A V H X S+ 0 0 88 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.939 116.5 44.5 -60.8 -46.0 19.7 -1.8 -14.9 66 62 A L H X S+ 0 0 21 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.901 111.7 52.3 -68.2 -44.7 16.3 -2.9 -16.4 67 63 A S H X S+ 0 0 21 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.870 109.8 50.0 -58.9 -39.8 16.6 -0.6 -19.4 68 64 A S H X S+ 0 0 63 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.903 111.7 47.1 -65.5 -43.2 20.0 -2.1 -20.2 69 65 A I H X S+ 0 0 78 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.910 113.1 49.6 -63.7 -42.6 18.7 -5.6 -19.9 70 66 A E H < S+ 0 0 16 -4,-2.8 4,-0.4 2,-0.2 -2,-0.2 0.908 109.3 51.0 -64.2 -40.2 15.7 -4.7 -22.1 71 67 A Q H >< S+ 0 0 122 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.921 110.1 50.3 -72.1 -35.8 17.9 -3.1 -24.8 72 68 A K H 3< S+ 0 0 179 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.832 106.3 55.6 -62.4 -36.3 20.1 -6.2 -24.9 73 69 A S T 3< 0 0 60 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.489 360.0 360.0 -74.4 -2.3 17.0 -8.4 -25.3 74 70 A N < 0 0 146 -3,-1.2 -3,-0.0 -4,-0.4 -4,-0.0 -0.467 360.0 360.0-111.5 360.0 15.9 -6.3 -28.4 75 ! 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 76 77 A K 0 0 202 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-154.6 12.2 -13.6 -24.9 77 78 A G - 0 0 41 0, 0.0 3,-0.5 0, 0.0 4,-0.3 -0.214 360.0 -69.4-114.7-158.0 8.7 -12.4 -23.9 78 79 A P S > S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.450 98.0 97.7 -82.6 -2.8 7.1 -9.3 -22.3 79 80 A E H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.842 81.1 46.4 -64.3 -44.3 8.6 -9.6 -18.8 80 81 A V H > S+ 0 0 34 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.935 117.2 45.5 -62.8 -46.1 11.6 -7.3 -19.0 81 82 A R H > S+ 0 0 127 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.915 112.9 50.8 -59.4 -44.9 9.5 -4.5 -20.6 82 83 A E H X S+ 0 0 99 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.911 114.4 42.8 -62.7 -42.0 6.7 -5.0 -18.1 83 84 A Y H X S+ 0 0 120 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.902 112.9 51.7 -77.3 -35.6 9.0 -4.8 -15.1 84 85 A R H X S+ 0 0 34 -4,-2.9 4,-3.0 -5,-0.2 -1,-0.2 0.912 110.9 50.3 -59.7 -44.0 10.9 -1.9 -16.5 85 86 A E H X S+ 0 0 73 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.862 108.7 51.3 -60.3 -38.7 7.5 -0.1 -17.1 86 87 A K H X S+ 0 0 119 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.934 112.9 44.4 -66.2 -45.3 6.4 -0.8 -13.5 87 88 A V H X S+ 0 0 11 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.923 113.7 52.8 -64.6 -43.1 9.7 0.7 -12.1 88 89 A E H X S+ 0 0 16 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.919 108.8 48.6 -57.7 -40.8 9.3 3.6 -14.5 89 90 A T H X S+ 0 0 72 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.888 111.0 49.0 -67.0 -38.8 5.8 4.3 -13.4 90 91 A E H X S+ 0 0 105 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.909 111.8 50.5 -67.7 -42.1 6.7 4.2 -9.7 91 92 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.898 110.6 49.5 -56.1 -51.7 9.7 6.7 -10.6 92 93 A Q H X S+ 0 0 56 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.863 108.8 53.5 -57.5 -39.0 7.2 9.0 -12.4 93 94 A G H X S+ 0 0 32 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.884 108.2 48.4 -64.8 -38.9 4.9 8.8 -9.4 94 95 A V H X S+ 0 0 23 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.928 113.3 48.4 -67.7 -44.3 7.7 9.9 -7.0 95 96 A C H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.931 110.7 49.7 -63.3 -42.5 8.6 12.8 -9.3 96 97 A D H X S+ 0 0 93 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.859 109.3 53.5 -64.4 -34.3 5.0 13.9 -9.7 97 98 A T H X S+ 0 0 53 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.941 111.9 44.3 -63.3 -48.5 4.6 13.8 -5.8 98 99 A V H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.942 113.6 49.4 -62.5 -46.8 7.6 16.1 -5.4 99 100 A L H X S+ 0 0 19 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.886 109.7 53.4 -60.8 -33.5 6.5 18.4 -8.2 100 101 A G H X S+ 0 0 34 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.894 106.6 50.4 -69.5 -36.8 3.1 18.6 -6.6 101 102 A L H <>S+ 0 0 10 -4,-2.0 5,-2.0 2,-0.2 -1,-0.2 0.900 111.7 50.0 -64.1 -41.2 4.6 19.6 -3.2 102 103 A L H <>S+ 0 0 3 -4,-2.5 5,-2.6 1,-0.2 6,-0.5 0.907 116.1 40.8 -67.3 -36.4 6.5 22.3 -5.0 103 104 A D H <5S+ 0 0 96 -4,-2.3 2,-0.2 1,-0.2 -1,-0.2 0.710 105.5 70.0 -80.4 -18.3 3.5 23.6 -6.9 104 105 A S T <5S- 0 0 65 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.660 131.5 -58.7-134.9 75.6 1.1 23.2 -3.9 105 106 A H T >5S+ 0 0 105 -3,-0.4 4,-1.5 -2,-0.2 -3,-0.2 -0.713 109.6 98.9-146.3 38.2 2.5 25.5 -2.5 106 107 A L H >4 S- 0 0 126 1,-0.1 4,-3.0 4,-0.0 5,-0.3 -0.548 81.9-125.6 -83.2 147.3 13.7 34.6 0.2 113 114 A A H > S+ 0 0 16 -2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.907 106.9 56.1 -57.1 -41.5 16.3 33.8 -2.4 114 115 A E H > S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.902 115.3 38.3 -63.2 -33.5 17.7 30.8 -0.5 115 116 A S H > S+ 0 0 9 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.934 117.5 47.6 -81.0 -45.6 14.3 29.1 -0.4 116 117 A R H X S+ 0 0 64 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.944 114.1 46.8 -63.6 -41.9 13.1 30.1 -3.8 117 118 A V H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.2 0.916 111.6 53.1 -63.3 -40.8 16.3 29.0 -5.6 118 119 A F H X S+ 0 0 17 -4,-1.4 4,-2.1 -5,-0.4 -2,-0.2 0.938 112.9 42.5 -60.0 -47.3 16.3 25.7 -3.6 119 120 A Y H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.878 113.2 50.2 -73.3 -35.0 12.8 24.9 -4.6 120 121 A L H X S+ 0 0 4 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.889 110.2 52.3 -68.0 -33.3 13.2 25.9 -8.3 121 122 A K H X S+ 0 0 32 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.917 109.8 49.7 -60.8 -44.8 16.4 23.8 -8.5 122 123 A M H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.909 108.8 51.4 -59.9 -41.2 14.3 20.9 -7.1 123 124 A K H X S+ 0 0 63 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.926 111.9 47.2 -62.7 -44.8 11.7 21.5 -9.7 124 125 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.933 112.4 50.8 -56.4 -44.2 14.4 21.4 -12.4 125 126 A D H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.912 111.4 45.4 -64.8 -47.7 15.9 18.2 -10.9 126 127 A Y H X S+ 0 0 4 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.839 113.3 49.0 -74.3 -30.6 12.6 16.3 -10.8 127 128 A Y H X S+ 0 0 58 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.869 108.9 56.2 -68.5 -35.5 11.6 17.3 -14.3 128 129 A R H X S+ 0 0 11 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.918 106.5 48.5 -56.8 -40.7 15.1 16.2 -15.3 129 130 A Y H X S+ 0 0 9 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.899 110.6 51.1 -68.5 -36.0 14.4 12.7 -13.8 130 131 A L H >X S+ 0 0 15 -4,-1.9 3,-1.2 1,-0.2 4,-0.8 0.910 108.5 52.9 -62.5 -40.0 11.1 12.6 -15.7 131 132 A A H >< S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.3 -1,-0.2 0.827 97.1 65.3 -66.0 -30.6 13.0 13.5 -18.9 132 133 A E H 3< S+ 0 0 38 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.759 114.4 32.1 -62.0 -27.6 15.5 10.6 -18.4 133 134 A V H << S+ 0 0 4 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.396 97.0 109.8-108.1 -0.3 12.6 8.1 -18.9 134 135 A A << - 0 0 16 -4,-0.8 2,-0.5 -3,-0.5 -3,-0.0 -0.420 52.4-151.2 -83.7 145.7 10.5 10.1 -21.3 135 136 A T - 0 0 133 -2,-0.1 2,-0.4 0, 0.0 4,-0.2 -0.981 48.8 -32.9-124.1 118.0 10.0 9.2 -25.0 136 137 A G S S- 0 0 46 -2,-0.5 4,-0.5 1,-0.2 -2,-0.0 -0.666 110.9 -0.9 101.2-127.4 9.3 11.5 -27.9 137 138 A D S S+ 0 0 117 -2,-0.4 -1,-0.2 2,-0.2 -3,-0.0 -0.342 128.0 49.8-110.3 47.9 7.2 14.8 -27.8 138 139 A D S > S+ 0 0 92 -7,-0.1 4,-2.4 -3,-0.0 5,-0.2 0.103 103.3 68.5-120.2 -12.7 6.1 15.1 -24.4 139 140 A K H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.878 97.4 51.0 -51.8 -43.3 9.7 14.5 -23.8 140 141 A K H > S+ 0 0 137 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.892 109.6 47.7 -64.3 -41.9 10.3 17.9 -25.3 141 142 A R H > S+ 0 0 159 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.846 111.5 50.8 -70.3 -34.0 7.9 19.7 -23.1 142 143 A I H X S+ 0 0 28 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.910 110.3 50.7 -69.9 -41.8 9.3 17.9 -20.0 143 144 A I H X S+ 0 0 24 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.928 110.4 49.4 -61.2 -43.3 12.9 19.0 -21.0 144 145 A D H X S+ 0 0 97 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.873 107.6 53.8 -68.5 -29.6 11.7 22.6 -21.4 145 146 A S H X S+ 0 0 44 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.887 111.1 46.3 -66.4 -41.0 10.0 22.6 -18.0 146 147 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.953 113.6 48.3 -63.9 -45.3 13.3 21.5 -16.4 147 148 A R H X S+ 0 0 84 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.919 111.1 51.4 -64.0 -41.0 15.3 24.1 -18.3 148 149 A S H X S+ 0 0 70 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.901 111.3 46.8 -61.6 -42.9 12.7 26.8 -17.4 149 150 A A H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.934 114.2 47.0 -64.5 -49.1 12.9 26.0 -13.7 150 151 A Y H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.911 112.3 50.7 -58.0 -39.0 16.7 25.9 -13.7 151 152 A Q H X S+ 0 0 80 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.889 109.3 49.6 -70.1 -41.6 16.9 29.1 -15.6 152 153 A E H X S+ 0 0 81 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.926 113.6 47.7 -59.2 -43.4 14.6 31.0 -13.2 153 154 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.911 111.4 49.8 -66.1 -42.6 16.7 29.7 -10.3 154 155 A M H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.906 109.1 53.0 -63.5 -43.6 20.0 30.7 -12.0 155 156 A D H X S+ 0 0 76 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.947 113.8 41.5 -61.9 -39.6 18.6 34.2 -12.7 156 157 A I H X S+ 0 0 33 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.913 113.7 53.8 -70.4 -40.3 17.6 34.7 -9.0 157 158 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.861 107.1 49.8 -64.7 -36.8 20.9 33.1 -7.8 158 159 A K H < S+ 0 0 117 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.786 117.2 41.7 -76.1 -26.9 23.1 35.5 -9.8 159 160 A K H < S+ 0 0 175 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.806 128.0 26.4 -79.3 -34.0 21.2 38.5 -8.5 160 161 A E H < S+ 0 0 127 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.486 110.4 55.4-116.3 -13.0 20.9 37.5 -4.9 161 162 A M S < S- 0 0 13 -4,-2.0 -1,-0.0 -5,-0.2 0, 0.0 -0.954 77.3-109.6-126.3 152.9 23.6 35.1 -3.8 162 163 A P > - 0 0 64 0, 0.0 3,-2.1 0, 0.0 6,-0.2 -0.380 38.4-107.9 -73.2 159.2 27.4 35.2 -3.9 163 164 A P T 3 S+ 0 0 30 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.625 117.7 54.1 -64.2 -15.6 29.1 32.9 -6.3 164 165 A T T 3 S+ 0 0 3 39,-0.1 55,-0.1 35,-0.1 36,-0.1 0.446 73.6 125.5 -94.3 1.4 30.4 30.6 -3.6 165 166 A N <> - 0 0 20 -3,-2.1 4,-2.7 1,-0.1 5,-0.2 -0.371 62.4-135.9 -60.4 130.7 26.9 30.0 -2.0 166 167 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.794 102.8 52.2 -62.5 -28.4 26.5 26.2 -2.0 167 168 A I H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.911 111.2 47.3 -71.9 -41.0 22.9 26.3 -3.2 168 169 A R H > S+ 0 0 29 -6,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 114.5 48.1 -61.1 -43.3 24.0 28.4 -6.2 169 170 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.903 112.3 47.3 -63.2 -44.2 26.9 26.0 -6.8 170 171 A G H X S+ 0 0 12 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.889 110.9 52.7 -68.7 -33.2 24.8 22.9 -6.6 171 172 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.935 111.0 46.2 -61.4 -49.8 22.2 24.5 -8.9 172 173 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.919 111.1 53.3 -63.2 -40.2 24.9 25.3 -11.5 173 174 A L H X S+ 0 0 21 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.956 113.5 42.4 -52.9 -51.3 26.3 21.7 -11.1 174 175 A N H X S+ 0 0 25 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.870 112.4 52.4 -73.2 -31.9 22.9 20.2 -11.8 175 176 A F H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.886 108.5 52.2 -66.7 -37.4 22.0 22.5 -14.6 176 177 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.930 109.4 49.0 -63.0 -40.2 25.3 21.7 -16.3 177 178 A V H X>S+ 0 0 18 -4,-2.2 4,-3.0 2,-0.2 5,-0.6 0.891 108.2 54.6 -64.9 -40.1 24.4 18.0 -15.9 178 179 A F H X>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 4,-2.0 0.955 110.1 46.9 -56.4 -48.2 21.0 18.7 -17.5 179 180 A H H <5S+ 0 0 7 -4,-2.5 6,-3.3 3,-0.2 -2,-0.2 0.917 117.6 41.4 -65.3 -39.5 22.7 20.3 -20.5 180 181 A Y H <5S+ 0 0 88 -4,-2.2 4,-0.2 4,-0.2 -2,-0.2 0.936 128.3 25.8 -72.4 -47.5 25.2 17.5 -21.0 181 182 A E H <5S+ 0 0 102 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.743 134.3 22.4 -91.2 -28.0 23.0 14.5 -20.4 182 183 A I T < + 0 0 41 -6,-3.3 4,-2.1 -7,-0.2 3,-0.2 -0.562 21.1 159.5-128.0 65.1 24.3 20.6 -25.2 186 187 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.848 74.3 55.3 -64.5 -31.3 27.8 19.5 -24.0 187 188 A E H > S+ 0 0 170 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.914 108.4 47.2 -66.9 -39.9 29.3 22.8 -24.9 188 189 A E H > S+ 0 0 106 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.868 111.9 53.2 -62.4 -40.2 26.8 24.8 -22.7 189 190 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.928 111.7 43.6 -60.0 -47.2 27.4 22.2 -19.9 190 191 A I H X S+ 0 0 44 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.931 113.6 51.2 -68.8 -40.6 31.2 22.8 -20.1 191 192 A S H X S+ 0 0 64 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.924 112.9 46.0 -61.5 -44.3 30.8 26.6 -20.3 192 193 A L H X S+ 0 0 20 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.941 113.2 47.0 -65.4 -45.3 28.5 26.7 -17.3 193 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.923 115.7 47.3 -66.8 -36.1 30.6 24.4 -15.1 194 195 A K H X S+ 0 0 111 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.942 113.3 45.5 -68.5 -49.3 33.8 26.4 -16.0 195 196 A T H X S+ 0 0 65 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.901 114.8 49.7 -60.2 -45.6 32.4 29.9 -15.5 196 197 A T H X S+ 0 0 14 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.944 112.3 46.7 -58.0 -46.1 30.8 28.7 -12.2 197 198 A F H X S+ 0 0 18 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.932 114.2 47.8 -62.4 -42.1 34.1 27.2 -10.9 198 199 A D H X S+ 0 0 74 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.883 112.5 47.7 -72.4 -39.8 36.1 30.3 -11.9 199 200 A E H < S+ 0 0 92 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.875 112.9 49.3 -71.6 -33.4 33.7 32.7 -10.3 200 201 A A H >X S+ 0 0 0 -4,-2.2 3,-1.7 -5,-0.3 4,-0.8 0.942 107.0 54.7 -65.9 -48.6 33.6 30.7 -7.1 201 202 A M H >< S+ 0 0 102 -4,-2.7 3,-1.1 1,-0.3 4,-0.3 0.900 106.1 52.4 -52.9 -41.2 37.4 30.4 -6.9 202 203 A A T 3< S+ 0 0 73 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.575 111.6 47.2 -69.5 -13.8 37.7 34.3 -7.1 203 204 A D T X4 S+ 0 0 30 -3,-1.7 3,-1.8 -4,-0.5 -1,-0.2 0.420 83.9 93.1-105.6 -6.1 35.2 34.6 -4.1 204 205 A L G X< S+ 0 0 14 -3,-1.1 3,-1.9 -4,-0.8 -2,-0.1 0.796 72.4 70.0 -61.4 -30.0 36.8 32.0 -1.8 205 206 A H G 3 S+ 0 0 156 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.668 92.4 59.5 -62.9 -15.7 38.9 34.6 -0.0 206 207 A T G < S+ 0 0 79 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.514 91.8 96.8 -88.0 -7.2 35.7 36.1 1.6 207 208 A L S < S- 0 0 45 -3,-1.9 2,-0.1 -4,-0.2 -3,-0.0 -0.542 70.0-126.5 -93.2 149.8 34.9 32.8 3.3 208 209 A S > - 0 0 70 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.300 43.2 -97.2 -69.7 170.7 35.4 31.4 6.8 209 210 A E H > S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.894 125.0 46.6 -63.8 -36.5 37.1 28.0 7.1 210 211 A D H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 114.2 46.7 -73.7 -39.3 33.8 26.1 7.4 211 212 A S H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.846 110.7 54.7 -63.9 -40.2 32.1 28.0 4.5 212 213 A Y H X S+ 0 0 99 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.927 107.1 49.3 -60.8 -41.5 35.3 27.4 2.4 213 214 A K H X S+ 0 0 123 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.919 112.0 49.0 -61.8 -45.2 35.0 23.6 3.1 214 215 A D H X S+ 0 0 90 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.938 116.8 41.4 -60.3 -49.6 31.2 23.6 2.0 215 216 A S H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.923 112.5 51.2 -68.7 -41.2 32.0 25.6 -1.2 216 217 A T H X S+ 0 0 42 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.829 102.4 63.1 -73.7 -24.0 35.1 23.8 -2.3 217 218 A L H X S+ 0 0 107 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.919 109.9 38.9 -59.5 -43.5 33.3 20.4 -1.9 218 219 A I H X S+ 0 0 25 -4,-1.1 4,-1.9 -3,-0.3 -2,-0.2 0.876 110.4 58.9 -79.4 -35.1 30.9 21.4 -4.6 219 220 A M H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.857 101.5 56.2 -56.5 -35.0 33.6 23.0 -6.7 220 221 A Q H X S+ 0 0 93 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.885 104.5 53.0 -66.5 -33.7 35.4 19.6 -6.7 221 222 A L H X S+ 0 0 75 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.878 108.5 49.3 -62.9 -42.6 32.2 18.1 -8.2 222 223 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.936 112.8 48.2 -61.4 -42.8 32.2 20.7 -11.0 223 224 A R H X S+ 0 0 127 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.896 108.0 54.2 -63.3 -41.1 35.9 19.9 -11.6 224 225 A D H X S+ 0 0 77 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.887 110.8 46.7 -63.5 -40.3 35.2 16.1 -11.7 225 226 A N H X S+ 0 0 33 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.931 109.3 53.0 -67.7 -44.7 32.5 16.7 -14.4 226 227 A L H X S+ 0 0 28 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.883 109.0 50.5 -57.4 -35.0 34.8 18.9 -16.4 227 228 A T H < S+ 0 0 101 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.890 112.5 46.4 -68.0 -36.2 37.4 16.2 -16.3 228 229 A L H < S+ 0 0 131 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.868 117.5 44.0 -72.7 -31.6 34.9 13.6 -17.5 229 230 A W H < 0 0 24 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.581 360.0 360.0 -94.8 -13.2 33.6 16.0 -20.2 230 231 A T < 0 0 136 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.122 360.0 360.0-127.1 360.0 36.8 17.3 -21.7