==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN/INHIBITOR 20-OCT-11 3U9X . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.THIEL,L.ROEGLIN,O.KOHLBACHER,C.OTTMANN . 228 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 82.5 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 . 167 73.2 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 1 1 0 0 1 0 1 0 0 2 0 0 0 2 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 0 144 0, 0.0 3,-0.2 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 1.9 -1.8 -9.2 -6.3 2 -2 A M > + 0 0 41 1,-0.1 3,-1.5 26,-0.1 8,-0.1 0.268 360.0 104.7-101.8 4.5 0.4 -11.7 -8.3 3 -1 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.1 32,-0.0 0, 0.0 0.777 78.2 51.8 -62.8 -25.0 -2.4 -14.2 -8.9 4 0 A S T 3 S+ 0 0 126 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.552 92.4 91.2 -90.6 -4.8 -2.9 -13.1 -12.5 5 1 A M S < S- 0 0 39 -3,-1.5 5,-0.1 1,-0.1 -3,-0.0 -0.733 84.0-108.1 -95.0 138.8 0.8 -13.5 -13.5 6 2 A E > - 0 0 142 -2,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.281 24.2-123.0 -55.9 142.9 2.3 -16.7 -14.9 7 3 A R H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.910 113.5 50.6 -51.7 -47.5 4.6 -18.6 -12.5 8 4 A A H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.865 109.6 50.5 -64.5 -34.9 7.4 -18.5 -15.0 9 5 A S H > S+ 0 0 41 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.875 108.2 52.6 -67.7 -41.5 7.0 -14.7 -15.4 10 6 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.905 111.6 47.0 -58.0 -44.1 7.1 -14.2 -11.6 11 7 A I H X S+ 0 0 13 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.937 112.4 48.9 -63.9 -46.4 10.4 -16.2 -11.5 12 8 A Q H X S+ 0 0 123 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.931 112.7 47.6 -61.3 -42.4 11.8 -14.3 -14.4 13 9 A K H X S+ 0 0 88 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.871 106.9 57.5 -68.5 -33.4 10.8 -10.9 -12.7 14 10 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.920 107.9 47.5 -57.1 -44.4 12.3 -12.1 -9.4 15 11 A K H X S+ 0 0 74 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.907 112.7 48.6 -67.0 -38.4 15.6 -12.6 -11.2 16 12 A L H X S+ 0 0 92 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.943 109.8 51.8 -63.7 -47.5 15.3 -9.1 -12.8 17 13 A A H <>S+ 0 0 7 -4,-3.1 5,-3.2 1,-0.2 4,-0.2 0.890 107.8 53.0 -54.8 -42.8 14.5 -7.5 -9.4 18 14 A E H ><5S+ 0 0 74 -4,-2.4 3,-1.3 3,-0.2 -1,-0.2 0.916 108.4 49.5 -57.7 -45.8 17.6 -9.2 -7.9 19 15 A Q H 3<5S+ 0 0 154 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.873 114.0 46.1 -60.1 -36.2 19.7 -7.6 -10.7 20 16 A A T 3<5S- 0 0 66 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.365 112.7-121.3 -86.3 2.2 18.1 -4.2 -10.0 21 17 A E T < 5 + 0 0 145 -3,-1.3 2,-0.9 -4,-0.2 -3,-0.2 0.827 65.5 143.6 52.9 39.8 18.6 -4.7 -6.2 22 18 A R >< + 0 0 145 -5,-3.2 4,-2.4 1,-0.2 -1,-0.2 -0.674 16.9 166.4-103.8 77.4 14.9 -4.3 -5.8 23 19 A Y H > + 0 0 56 -2,-0.9 4,-2.5 1,-0.2 32,-0.2 0.805 69.2 55.3 -72.9 -32.4 14.5 -6.8 -2.9 24 20 A E H > S+ 0 0 155 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 112.9 44.8 -62.2 -43.1 10.9 -6.0 -1.8 25 21 A D H > S+ 0 0 60 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.923 111.8 53.3 -62.8 -44.3 9.8 -6.5 -5.5 26 22 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.918 109.6 47.5 -56.7 -44.4 11.8 -9.7 -5.6 27 23 A A H X S+ 0 0 5 -4,-2.5 4,-2.9 24,-0.3 -1,-0.2 0.906 111.5 50.7 -64.5 -43.0 10.1 -11.0 -2.4 28 24 A A H X S+ 0 0 38 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.904 111.2 48.5 -62.7 -40.0 6.7 -10.2 -3.7 29 25 A F H X S+ 0 0 32 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.935 114.1 46.1 -66.2 -43.8 7.4 -12.0 -7.0 30 26 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.869 109.3 54.2 -68.9 -34.4 8.7 -15.0 -5.1 31 27 A K H X S+ 0 0 69 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.942 109.9 48.6 -58.3 -49.0 5.7 -15.0 -2.7 32 28 A G H < S+ 0 0 4 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.894 110.2 51.6 -57.1 -43.4 3.4 -15.0 -5.8 33 29 A A H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 5,-0.4 0.933 110.6 47.6 -58.6 -49.3 5.5 -17.9 -7.3 34 30 A V H >< S+ 0 0 8 -4,-2.8 3,-2.4 1,-0.2 -2,-0.2 0.912 104.6 60.9 -55.7 -44.3 5.1 -20.0 -4.0 35 31 A E T 3< S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.604 82.8 79.9 -68.2 -8.7 1.4 -19.2 -3.9 36 32 A K T < S- 0 0 72 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.690 103.7-127.5 -64.0 -18.7 1.0 -21.0 -7.3 37 33 A G < + 0 0 69 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.299 67.3 120.9 93.7 -9.5 1.1 -24.2 -5.2 38 34 A E S S- 0 0 137 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.547 70.7 -99.2 -84.9 152.4 3.9 -26.1 -7.0 39 35 A E - 0 0 120 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.218 40.9-115.3 -60.9 160.5 7.1 -27.2 -5.2 40 36 A L - 0 0 9 65,-0.1 -1,-0.1 1,-0.0 2,-0.0 -0.846 20.0-129.6-103.5 141.1 10.1 -24.9 -5.7 41 37 A S > - 0 0 50 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.211 36.4 -95.7 -72.7 173.3 13.3 -26.0 -7.5 42 38 A X H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.936 127.6 47.2 -57.4 -45.6 16.8 -25.5 -5.9 43 39 A E H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 112.5 48.9 -64.1 -43.0 17.2 -22.3 -7.9 44 40 A E H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 107.9 54.2 -67.3 -38.5 13.8 -21.0 -7.0 45 41 A R H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.911 108.4 50.5 -59.5 -44.4 14.3 -21.8 -3.2 46 42 A N H X S+ 0 0 75 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.907 108.3 51.7 -62.1 -37.4 17.5 -19.7 -3.4 47 43 A L H X S+ 0 0 10 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.918 110.5 48.8 -63.5 -41.2 15.6 -16.8 -5.0 48 44 A L H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.935 114.2 45.6 -60.7 -50.9 12.9 -17.0 -2.2 49 45 A S H X S+ 0 0 20 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.926 113.1 48.5 -59.8 -50.7 15.6 -17.0 0.5 50 46 A V H X S+ 0 0 43 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.914 111.0 52.0 -57.0 -44.3 17.7 -14.2 -1.0 51 47 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -24,-0.3 0.968 116.1 36.9 -59.4 -55.7 14.7 -11.9 -1.5 52 48 A Y H X S+ 0 0 12 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.847 112.8 57.6 -71.1 -29.5 13.4 -12.2 2.1 53 49 A K H X S+ 0 0 43 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.900 109.5 46.3 -68.9 -36.4 16.8 -12.2 3.7 54 50 A N H X S+ 0 0 72 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.896 114.8 46.5 -67.5 -40.7 17.6 -8.9 2.0 55 51 A V H X S+ 0 0 21 -4,-1.9 4,-1.6 -32,-0.2 -2,-0.2 0.962 119.0 39.3 -64.5 -55.7 14.2 -7.4 3.0 56 52 A V H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.851 110.8 60.6 -66.1 -32.7 14.3 -8.6 6.6 57 53 A G H X S+ 0 0 28 -4,-1.9 4,-2.2 -5,-0.4 -1,-0.2 0.931 105.8 47.5 -61.1 -44.9 18.1 -7.8 6.8 58 54 A G H X S+ 0 0 46 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.889 113.1 48.5 -57.3 -43.5 17.3 -4.1 6.1 59 55 A Q H X S+ 0 0 28 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.899 110.8 50.4 -67.9 -41.3 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 0.912 110.2 49.4 -63.2 -42.1 16.8 -5.6 11.3 61 57 A A H X S+ 0 0 57 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.927 114.4 45.9 -64.9 -43.1 19.6 -3.1 10.7 62 58 A A H X S+ 0 0 39 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.916 110.7 52.2 -63.0 -45.3 17.1 -0.2 11.0 63 59 A W H X S+ 0 0 40 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.888 109.0 51.7 -58.4 -39.4 15.5 -1.7 14.1 64 60 A R H X S+ 0 0 123 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.925 109.0 49.1 -65.4 -43.8 18.9 -1.9 15.7 65 61 A V H X S+ 0 0 90 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.943 115.9 43.5 -55.9 -50.9 19.7 1.7 14.9 66 62 A L H X S+ 0 0 22 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.903 111.5 53.6 -66.8 -41.4 16.4 2.8 16.4 67 63 A S H X S+ 0 0 25 -4,-3.0 4,-2.8 -5,-0.2 -1,-0.2 0.892 108.5 50.4 -59.2 -40.9 16.6 0.5 19.5 68 64 A S H X S+ 0 0 59 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.933 112.0 46.7 -63.6 -46.8 20.1 2.0 20.3 69 65 A I H X S+ 0 0 78 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.911 113.2 50.2 -60.7 -43.3 18.7 5.5 20.1 70 66 A E H X S+ 0 0 17 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.909 109.3 50.2 -63.3 -42.8 15.7 4.5 22.2 71 67 A Q H >< S+ 0 0 116 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.912 109.6 51.3 -67.2 -38.3 17.9 2.9 24.9 72 68 A K H 3< S+ 0 0 169 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.888 105.0 56.3 -60.4 -41.8 20.1 6.0 25.0 73 69 A S H 3< 0 0 90 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.670 360.0 360.0 -64.4 -16.3 17.0 8.2 25.5 74 70 A N << 0 0 144 -3,-0.9 -3,-0.1 -4,-0.7 0, 0.0 -0.133 360.0 360.0-101.2 360.0 16.2 6.0 28.5 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 78 A G 0 0 104 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 171.4 8.9 12.4 23.6 77 79 A P > + 0 0 55 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.475 360.0 97.9 -77.0 -5.4 7.2 9.2 22.3 78 80 A E H > S+ 0 0 124 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.846 80.3 46.1 -63.0 -44.5 8.6 9.5 18.8 79 81 A V H > S+ 0 0 42 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.941 117.7 44.7 -64.4 -45.2 11.7 7.2 19.0 80 82 A R H > S+ 0 0 101 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.941 114.4 50.0 -62.2 -44.5 9.6 4.5 20.7 81 83 A E H X S+ 0 0 96 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.927 114.2 43.5 -60.7 -43.9 6.7 5.0 18.2 82 84 A Y H X S+ 0 0 124 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.897 112.1 52.1 -73.5 -37.7 9.0 4.8 15.2 83 85 A R H X S+ 0 0 35 -4,-2.8 4,-3.1 -5,-0.2 -1,-0.2 0.930 110.8 50.6 -59.0 -43.0 11.0 1.7 16.5 84 86 A E H X S+ 0 0 69 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.878 108.2 51.6 -62.0 -38.4 7.5 0.0 17.1 85 87 A K H X S+ 0 0 124 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.938 113.7 43.2 -64.0 -47.2 6.5 0.8 13.5 86 88 A V H X S+ 0 0 14 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.930 114.0 52.4 -63.0 -45.0 9.7 -0.7 12.1 87 89 A E H X S+ 0 0 29 -4,-3.1 4,-2.7 -5,-0.2 -2,-0.2 0.906 108.8 49.3 -57.2 -45.1 9.3 -3.6 14.5 88 90 A T H X S+ 0 0 86 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.879 110.7 49.9 -61.7 -40.6 5.7 -4.3 13.4 89 91 A E H X S+ 0 0 103 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.915 111.1 49.5 -66.1 -42.4 6.8 -4.2 9.7 90 92 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.910 110.6 50.0 -59.3 -46.2 9.6 -6.7 10.4 91 93 A Q H X S+ 0 0 55 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.887 108.4 53.9 -62.5 -36.5 7.2 -9.0 12.3 92 94 A G H X S+ 0 0 32 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.901 108.9 47.3 -65.7 -39.8 4.8 -8.8 9.4 93 95 A V H X S+ 0 0 25 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.943 113.2 49.0 -66.4 -46.5 7.6 -9.9 6.9 94 96 A C H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.920 111.4 49.2 -58.1 -45.0 8.6 -12.7 9.3 95 97 A D H X S+ 0 0 95 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.850 109.3 53.4 -64.2 -34.1 5.0 -13.9 9.6 96 98 A T H X S+ 0 0 52 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.931 111.5 44.3 -63.8 -47.2 4.6 -13.8 5.8 97 99 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.945 113.7 50.0 -64.9 -47.8 7.6 -16.0 5.3 98 100 A L H X S+ 0 0 16 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.887 108.9 54.3 -57.2 -38.2 6.6 -18.4 8.1 99 101 A G H X S+ 0 0 35 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.890 107.3 49.0 -60.9 -39.9 3.1 -18.6 6.5 100 102 A L H <>S+ 0 0 10 -4,-1.9 5,-1.8 2,-0.2 -2,-0.2 0.908 112.1 48.6 -67.8 -42.1 4.6 -19.6 3.2 101 103 A L H <>S+ 0 0 3 -4,-2.5 5,-2.8 1,-0.2 6,-0.5 0.901 116.8 42.3 -61.6 -40.1 6.7 -22.3 4.8 102 104 A D H <5S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.653 105.7 69.8 -79.5 -21.3 3.6 -23.6 6.8 103 105 A S T <5S- 0 0 63 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.572 131.6 -57.8-137.4 76.2 1.3 -23.3 3.7 104 106 A H T >5S+ 0 0 106 -3,-0.4 4,-1.6 -2,-0.2 -3,-0.2 -0.707 110.3 97.9-145.6 38.0 2.5 -25.5 2.3 105 107 A L H >4 S- 0 0 124 1,-0.1 4,-2.8 4,-0.0 5,-0.3 -0.563 82.3-123.3 -78.8 144.8 13.7 -34.6 -0.3 112 114 A A H > S+ 0 0 27 1,-0.2 4,-2.7 -2,-0.2 5,-0.4 0.896 108.9 55.6 -52.6 -45.7 16.4 -33.8 2.3 113 115 A E H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 114.7 38.3 -55.0 -47.3 17.7 -30.8 0.3 114 116 A S H > S+ 0 0 10 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 116.9 48.7 -73.1 -44.9 14.3 -29.1 0.3 115 117 A R H X S+ 0 0 64 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.940 113.7 45.7 -64.4 -45.3 13.2 -30.0 3.7 116 118 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.902 111.6 54.3 -59.8 -43.3 16.4 -28.9 5.5 117 119 A F H X S+ 0 0 11 -4,-1.7 4,-2.0 -5,-0.4 -2,-0.2 0.932 113.1 41.2 -57.7 -49.4 16.4 -25.7 3.4 118 120 A Y H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.867 114.0 51.4 -72.3 -36.6 12.8 -24.7 4.5 119 121 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131 A L H >X S+ 0 0 13 -4,-2.1 3,-0.9 1,-0.2 4,-0.6 0.902 108.9 54.6 -59.7 -40.5 11.0 -12.6 15.7 130 132 A A H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.827 97.0 64.4 -62.9 -35.2 12.9 -13.6 18.8 131 133 A E H 3< S+ 0 0 30 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.814 113.1 32.9 -59.6 -30.1 15.4 -10.7 18.4 132 134 A V H << S+ 0 0 8 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.427 101.6 97.7-105.8 0.0 12.5 -8.1 18.9 133 135 A A << - 0 0 4 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.0 -0.470 52.7-163.4 -84.9 155.8 10.4 -10.2 21.3 134 136 A T > + 0 0 111 -2,-0.2 4,-1.4 0, 0.0 3,-0.4 -0.904 44.5 0.5-128.7 171.3 10.4 -9.8 25.1 135 137 A G H > S- 0 0 50 -2,-0.3 4,-0.8 2,-0.2 3,-0.1 -0.169 118.5 -25.6 70.7-150.1 9.2 -11.8 28.1 136 138 A D H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.795 135.1 67.2 -72.2 -29.6 7.5 -15.2 27.9 137 139 A D H > S+ 0 0 92 -3,-0.4 4,-1.7 1,-0.3 -2,-0.2 0.956 98.2 52.0 -50.5 -46.8 6.5 -14.1 24.5 138 140 A K H X S+ 0 0 65 -4,-1.4 4,-2.6 1,-0.2 -1,-0.3 0.858 105.3 58.9 -58.3 -35.9 10.2 -14.3 23.8 139 141 A K H X S+ 0 0 135 -4,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.906 105.1 43.4 -68.2 -46.6 10.2 -17.9 25.3 140 142 A R H X S+ 0 0 193 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.880 116.0 50.6 -67.2 -34.8 7.7 -19.6 23.0 141 143 A I H X S+ 0 0 28 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.919 109.9 49.6 -68.0 -42.1 9.3 -17.9 20.0 142 144 A I H X S+ 0 0 39 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.914 110.7 50.3 -61.1 -44.4 12.8 -19.0 21.0 143 145 A D H X S+ 0 0 83 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.870 108.2 52.6 -65.2 -33.1 11.5 -22.6 21.4 144 146 A S H X S+ 0 0 42 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.901 110.5 47.2 -66.9 -40.9 9.9 -22.4 17.9 145 147 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.962 113.8 49.0 -62.7 -46.8 13.2 -21.3 16.4 146 148 A R H X S+ 0 0 87 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.912 110.0 50.6 -56.3 -49.2 15.0 -24.1 18.4 147 149 A S H X S+ 0 0 58 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.908 111.9 46.7 -58.7 -45.2 12.6 -26.8 17.3 148 150 A A H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.950 114.7 46.3 -64.7 -48.2 12.8 -25.9 13.6 149 151 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.919 112.6 52.0 -58.2 -41.2 16.7 -25.8 13.7 150 152 A Q H X S+ 0 0 71 -4,-2.9 4,-2.6 -5,-0.3 -2,-0.2 0.912 109.1 47.6 -67.5 -43.3 16.8 -29.1 15.6 151 153 A E H X S+ 0 0 78 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.923 113.5 49.4 -62.8 -41.7 14.6 -30.9 13.1 152 154 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.902 111.0 49.8 -60.9 -42.8 16.7 -29.5 10.3 153 155 A M H X S+ 0 0 11 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.924 108.5 53.0 -63.6 -45.0 19.9 -30.6 12.0 154 156 A D H X S+ 0 0 69 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.929 113.6 42.2 -57.6 -46.6 18.6 -34.1 12.6 155 157 A I H X S+ 0 0 33 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.914 113.1 53.2 -66.7 -43.0 17.7 -34.6 8.9 156 158 A S H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.876 108.9 49.1 -62.9 -37.9 21.0 -33.0 7.7 157 159 A K H < S+ 0 0 118 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 117.4 41.2 -71.0 -31.5 23.1 -35.3 9.8 158 160 A K H < S+ 0 0 157 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.837 128.8 25.9 -78.0 -36.0 21.2 -38.4 8.6 159 161 A E H < S+ 0 0 129 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.529 109.7 57.7-113.4 -14.0 21.0 -37.4 4.9 160 162 A M S < S- 0 0 12 -4,-2.1 -1,-0.0 -5,-0.3 0, 0.0 -0.922 77.3-107.9-126.5 152.3 23.7 -35.0 3.8 161 163 A P > - 0 0 65 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.362 38.4-109.3 -70.5 159.0 27.5 -35.1 3.8 162 164 A P T 3 S+ 0 0 34 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.667 118.2 53.3 -66.7 -16.0 29.2 -32.9 6.4 163 165 A T T 3 S+ 0 0 3 35,-0.1 55,-0.1 39,-0.1 5,-0.1 0.452 74.0 127.9 -93.6 -2.2 30.4 -30.5 3.6 164 166 A N <> - 0 0 22 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 -0.318 61.8-134.8 -56.3 126.4 26.9 -29.9 2.1 165 167 A P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.854 102.9 48.1 -59.7 -34.8 26.6 -26.1 1.9 166 168 A I H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.912 111.0 51.8 -72.8 -37.0 23.0 -26.0 3.3 167 169 A R H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 113.3 45.8 -57.8 -43.5 24.1 -28.4 6.2 168 170 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.901 113.4 47.9 -66.4 -42.5 27.0 -26.0 6.9 169 171 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.852 110.3 52.7 -70.0 -35.2 24.8 -22.9 6.7 170 172 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.939 111.8 45.5 -58.9 -50.1 22.2 -24.5 9.0 171 173 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.919 110.8 54.3 -62.8 -41.8 24.9 -25.3 11.6 172 174 A L H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.946 113.7 40.9 -53.0 -51.6 26.3 -21.8 11.2 173 175 A N H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.850 112.6 53.0 -74.8 -30.8 22.9 -20.2 11.9 174 176 A F H X S+ 0 0 7 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.894 109.2 51.2 -70.0 -35.4 21.9 -22.6 14.7 175 177 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.909 109.5 49.6 -66.5 -38.0 25.2 -21.8 16.4 176 178 A V H X>S+ 0 0 15 -4,-2.0 4,-3.4 2,-0.2 5,-0.6 0.917 108.3 53.9 -64.3 -40.5 24.4 -18.0 16.0 177 179 A F H X>S+ 0 0 4 -4,-2.6 5,-2.4 1,-0.2 4,-2.2 0.946 109.8 47.8 -54.3 -50.7 21.0 -18.8 17.6 178 180 A H H <5S+ 0 0 18 -4,-2.5 6,-3.3 3,-0.2 -1,-0.2 0.914 118.6 39.9 -58.0 -43.5 22.7 -20.4 20.5 179 181 A Y H <5S+ 0 0 88 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.928 128.2 27.0 -73.4 -45.4 25.1 -17.5 21.0 180 182 A E H <5S+ 0 0 99 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.773 133.8 21.6 -94.8 -27.0 22.9 -14.6 20.4 181 183 A I T < + 0 0 46 -6,-3.3 4,-2.2 -7,-0.2 3,-0.2 -0.594 21.3 160.6-125.1 64.5 24.3 -20.6 25.3 185 187 A P H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.852 74.8 55.0 -62.5 -30.8 27.7 -19.5 24.0 186 188 A E H > S+ 0 0 164 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 108.3 47.9 -66.7 -41.8 29.4 -22.8 24.9 187 189 A E H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.903 112.1 51.7 -62.1 -40.6 26.8 -24.7 22.8 188 190 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.927 112.5 43.6 -58.9 -47.4 27.4 -22.2 20.0 189 191 A I H X S+ 0 0 44 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.929 114.3 50.4 -68.0 -43.3 31.2 -22.6 20.1 190 192 A S H X S+ 0 0 65 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.933 112.3 47.1 -60.8 -46.9 30.9 -26.4 20.3 191 193 A L H X S+ 0 0 21 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.944 113.1 47.6 -63.1 -45.9 28.6 -26.7 17.4 192 194 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.925 114.8 47.0 -63.9 -39.2 30.7 -24.4 15.2 193 195 A K H X S+ 0 0 103 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.946 113.8 45.2 -67.3 -48.4 33.9 -26.2 16.0 194 196 A T H X S+ 0 0 58 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.900 114.8 49.9 -61.1 -40.3 32.5 -29.8 15.5 195 197 A T H X S+ 0 0 16 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.946 112.5 46.9 -63.3 -45.9 30.8 -28.6 12.2 196 198 A F H X S+ 0 0 28 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.944 114.1 46.9 -61.9 -45.8 34.1 -27.1 11.0 197 199 A D H X S+ 0 0 68 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.883 112.1 49.1 -69.3 -39.7 36.2 -30.1 11.9 198 200 A E H X S+ 0 0 90 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.877 112.9 48.1 -69.1 -34.2 33.8 -32.7 10.3 199 201 A A H >X S+ 0 0 0 -4,-2.2 3,-1.5 -5,-0.2 4,-0.8 0.935 107.2 55.8 -68.7 -43.8 33.6 -30.6 7.1 200 202 A M H >< S+ 0 0 95 -4,-2.7 3,-1.1 1,-0.3 4,-0.4 0.918 106.2 52.0 -53.3 -43.1 37.5 -30.3 7.0 201 203 A A H 3< S+ 0 0 72 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.630 111.4 47.1 -69.3 -14.2 37.7 -34.1 7.1 202 204 A D H X< S+ 0 0 29 -3,-1.5 3,-1.7 -4,-0.5 -1,-0.2 0.426 84.1 92.3-104.5 -7.8 35.3 -34.5 4.2 203 205 A L G X< S+ 0 0 10 -3,-1.1 3,-2.0 -4,-0.8 -2,-0.1 0.827 72.1 70.6 -60.4 -31.8 36.9 -31.9 1.8 204 206 A H G 3 S+ 0 0 159 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.678 92.6 59.9 -60.5 -17.7 39.1 -34.5 0.1 205 207 A T G < S+ 0 0 79 -3,-1.7 -1,-0.3 2,-0.0 2,-0.2 0.552 91.2 94.1 -84.0 -6.9 35.9 -35.9 -1.5 206 208 A L S < S- 0 0 45 -3,-2.0 2,-0.0 -4,-0.2 -3,-0.0 -0.576 70.8-122.7 -99.6 146.3 35.0 -32.7 -3.4 207 209 A S > - 0 0 69 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.217 43.7 -96.2 -62.0 167.7 35.6 -31.3 -6.8 208 210 A E H > S+ 0 0 169 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.910 125.8 46.9 -54.5 -46.2 37.3 -27.9 -7.1 209 211 A D H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 113.8 45.2 -68.3 -43.0 33.9 -26.1 -7.4 210 212 A S H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.881 110.7 56.0 -67.6 -38.2 32.3 -27.9 -4.4 211 213 A Y H X S+ 0 0 117 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.929 107.4 49.1 -56.8 -45.8 35.5 -27.3 -2.4 212 214 A K H X S+ 0 0 122 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.923 111.9 48.8 -57.4 -46.6 35.1 -23.6 -3.1 213 215 A D H X S+ 0 0 86 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.938 116.6 41.4 -62.3 -46.8 31.4 -23.6 -2.0 214 216 A S H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 3,-0.3 0.913 112.1 51.8 -71.0 -43.7 32.1 -25.5 1.3 215 217 A T H X S+ 0 0 42 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.830 102.7 62.0 -68.7 -28.1 35.2 -23.7 2.4 216 218 A L H X S+ 0 0 100 -4,-1.6 4,-1.1 -5,-0.3 -1,-0.2 0.924 110.1 39.2 -58.9 -44.8 33.4 -20.4 1.9 217 219 A I H X S+ 0 0 15 -4,-1.1 4,-1.8 -3,-0.3 -2,-0.2 0.846 110.0 59.3 -77.8 -31.7 30.9 -21.3 4.6 218 220 A M H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.888 102.2 55.8 -62.4 -33.9 33.6 -23.0 6.8 219 221 A Q H X S+ 0 0 98 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.882 103.2 53.9 -64.9 -36.0 35.3 -19.6 6.8 220 222 A L H X S+ 0 0 67 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.905 109.2 48.0 -61.2 -43.1 32.1 -18.1 8.2 221 223 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.925 112.7 49.7 -58.5 -46.5 32.2 -20.7 11.0 222 224 A R H X S+ 0 0 80 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.918 107.3 53.8 -58.9 -43.8 35.8 -19.8 11.6 223 225 A D H X S+ 0 0 77 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.908 110.4 47.3 -61.3 -42.7 35.0 -16.0 11.7 224 226 A N H X S+ 0 0 31 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.930 109.7 52.0 -64.4 -44.1 32.4 -16.6 14.4 225 227 A L H X S+ 0 0 6 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.907 110.3 50.0 -60.0 -37.5 34.8 -18.8 16.4 226 228 A T H < S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.890 113.0 45.8 -64.9 -41.0 37.4 -16.1 16.2 227 229 A L H < S+ 0 0 131 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.878 117.2 44.3 -66.5 -37.8 34.9 -13.5 17.4 228 230 A W H < 0 0 23 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.536 360.0 360.0 -90.3 -10.5 33.6 -15.7 20.2 229 231 A T < 0 0 139 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.237 360.0 360.0-124.2 360.0 36.9 -17.0 21.6