==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN/PROTEIN BINDING 13-JAN-12 4DAU . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.ROSE,M.ROSE,C.OTTMANN . 227 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 80.6 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 70.5 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 3 0 0 0 1 0 0 0 1 0 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 -2 A M > 0 0 94 0, 0.0 3,-1.4 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 10.5 40.2 11.8 -8.1 2 -1 A G T 3 + 0 0 70 1,-0.3 0, 0.0 32,-0.0 0, 0.0 0.778 360.0 47.2 -59.2 -34.4 43.2 14.1 -8.8 3 0 A S T 3 S+ 0 0 129 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.539 94.1 91.2 -90.3 -7.5 43.5 13.0 -12.4 4 1 A M S < S- 0 0 38 -3,-1.4 5,-0.1 1,-0.1 0, 0.0 -0.752 82.9-107.8 -94.6 139.2 39.8 13.4 -13.3 5 2 A E > - 0 0 141 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.262 23.9-123.4 -52.6 140.5 38.3 16.6 -14.7 6 3 A R H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.912 114.4 49.4 -50.2 -49.5 36.1 18.5 -12.3 7 4 A A H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.867 109.4 52.4 -64.1 -36.1 33.3 18.4 -14.8 8 5 A S H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.884 107.6 52.0 -63.2 -40.7 33.8 14.7 -15.2 9 6 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.896 112.3 46.4 -61.7 -41.3 33.6 14.2 -11.4 10 7 A I H X S+ 0 0 12 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.916 112.3 49.2 -68.0 -47.3 30.4 16.1 -11.3 11 8 A Q H X S+ 0 0 122 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.919 114.6 45.6 -57.6 -40.4 29.0 14.2 -14.2 12 9 A K H X S+ 0 0 83 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.882 106.5 58.3 -75.2 -34.8 30.0 10.9 -12.6 13 10 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.914 108.0 48.3 -57.1 -40.9 28.6 11.9 -9.2 14 11 A K H X S+ 0 0 82 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.898 111.8 47.8 -68.3 -39.8 25.2 12.4 -11.0 15 12 A L H X S+ 0 0 93 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.877 111.1 51.4 -60.6 -45.4 25.4 9.0 -12.7 16 13 A A H <>S+ 0 0 6 -4,-2.9 5,-3.5 2,-0.2 -2,-0.2 0.880 107.3 53.6 -62.4 -40.7 26.4 7.4 -9.3 17 14 A E H ><5S+ 0 0 72 -4,-2.2 3,-1.8 -5,-0.2 -2,-0.2 0.965 110.5 46.2 -56.9 -46.6 23.4 9.1 -7.8 18 15 A Q H 3<5S+ 0 0 148 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.870 114.8 47.6 -60.6 -32.5 21.2 7.4 -10.6 19 16 A A T 3<5S- 0 0 62 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.352 112.4-122.9 -89.4 4.3 22.9 4.2 -10.0 20 17 A E T < 5 + 0 0 140 -3,-1.8 2,-0.9 -4,-0.2 -3,-0.2 0.860 65.4 143.4 47.4 42.2 22.4 4.6 -6.2 21 18 A R >< + 0 0 145 -5,-3.5 4,-2.4 1,-0.2 -1,-0.2 -0.678 16.7 165.4-105.2 76.8 26.1 4.2 -5.8 22 19 A Y H > + 0 0 56 -2,-0.9 4,-2.5 1,-0.2 32,-0.2 0.784 68.5 56.0 -77.0 -26.0 26.5 6.7 -3.0 23 20 A E H > S+ 0 0 149 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 113.1 43.6 -66.0 -42.4 30.0 5.8 -2.0 24 21 A D H > S+ 0 0 55 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.906 111.9 54.2 -62.6 -43.3 31.1 6.5 -5.5 25 22 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.925 111.3 45.5 -57.9 -45.9 29.0 9.6 -5.6 26 23 A A H X S+ 0 0 5 -4,-2.5 4,-2.8 24,-0.2 5,-0.2 0.914 111.2 51.0 -65.8 -43.0 30.8 10.8 -2.4 27 24 A A H X S+ 0 0 37 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.915 112.8 47.7 -60.9 -40.3 34.3 9.9 -3.7 28 25 A F H X S+ 0 0 31 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.938 113.5 46.8 -68.0 -45.0 33.5 11.8 -6.9 29 26 A M H X S+ 0 0 0 -4,-2.8 4,-3.2 -5,-0.2 5,-0.2 0.888 110.1 52.0 -64.7 -35.7 32.1 14.8 -5.0 30 27 A K H X S+ 0 0 63 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.932 109.8 51.1 -62.3 -44.1 35.1 14.9 -2.6 31 28 A G H X S+ 0 0 2 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.919 111.9 48.4 -56.8 -45.0 37.3 14.8 -5.8 32 29 A A H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 5,-0.5 0.924 111.0 47.0 -64.8 -45.3 35.3 17.8 -7.1 33 30 A V H >< S+ 0 0 6 -4,-3.2 3,-2.6 1,-0.3 -1,-0.2 0.950 106.7 59.8 -62.1 -41.9 35.5 19.8 -4.0 34 31 A E H 3< S+ 0 0 104 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.609 81.8 81.7 -68.8 -6.6 39.2 19.1 -3.8 35 32 A K T << S- 0 0 68 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.746 106.2-125.6 -62.1 -17.8 39.6 20.8 -7.2 36 33 A G < + 0 0 67 -3,-2.6 2,-0.3 -4,-0.4 -2,-0.1 0.399 69.2 122.4 91.0 -3.8 39.6 23.9 -5.0 37 34 A E - 0 0 129 -5,-0.5 -1,-0.3 -4,-0.1 -2,-0.1 -0.655 69.8-100.9 -87.8 151.5 36.8 25.7 -6.7 38 35 A E - 0 0 112 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.229 40.6-118.4 -57.4 156.2 33.6 26.8 -5.0 39 36 A L - 0 0 7 62,-0.1 -1,-0.1 1,-0.1 -6,-0.0 -0.829 19.6-125.8-102.6 143.8 30.6 24.5 -5.6 40 37 A S > - 0 0 50 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.189 36.0 -95.8 -72.6 173.5 27.5 25.6 -7.3 41 38 A C H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.967 128.9 47.4 -52.0 -51.9 24.1 25.2 -5.6 42 39 A E H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.895 112.0 49.3 -62.2 -40.5 23.6 22.0 -7.6 43 40 A E H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.859 108.2 53.6 -67.1 -39.1 27.1 20.7 -6.7 44 41 A R H X S+ 0 0 28 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.934 108.5 50.3 -61.2 -43.4 26.5 21.4 -3.0 45 42 A N H X S+ 0 0 69 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.892 109.6 50.7 -59.9 -41.2 23.4 19.4 -3.2 46 43 A L H X S+ 0 0 12 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.915 110.7 49.0 -60.9 -43.8 25.3 16.5 -4.8 47 44 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.948 114.7 45.0 -58.7 -51.8 27.9 16.7 -2.1 48 45 A S H X S+ 0 0 6 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.947 113.7 48.6 -59.6 -53.7 25.2 16.7 0.6 49 46 A V H X S+ 0 0 22 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.896 111.4 51.0 -52.9 -42.5 23.1 13.9 -1.0 50 47 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -24,-0.2 0.985 117.4 36.2 -66.8 -54.6 26.2 11.7 -1.5 51 48 A Y H X S+ 0 0 12 -4,-2.3 4,-3.2 -5,-0.2 5,-0.4 0.862 111.9 59.9 -71.2 -28.8 27.5 11.9 2.0 52 49 A K H X S+ 0 0 43 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.931 110.3 43.9 -61.4 -44.7 24.0 11.9 3.6 53 50 A N H X S+ 0 0 52 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.914 115.1 47.1 -67.0 -44.7 23.4 8.5 2.0 54 51 A V H X S+ 0 0 20 -4,-2.4 4,-1.8 -32,-0.2 -2,-0.2 0.977 120.0 38.4 -58.5 -55.7 26.8 7.1 2.9 55 52 A V H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.815 110.9 61.9 -71.4 -27.7 26.6 8.2 6.5 56 53 A G H X S+ 0 0 25 -4,-2.0 4,-2.2 -5,-0.4 -1,-0.2 0.925 105.4 45.7 -61.8 -45.3 22.9 7.4 6.5 57 54 A G H X S+ 0 0 47 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.879 114.3 49.5 -63.7 -39.3 23.6 3.7 5.9 58 55 A Q H X S+ 0 0 27 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.902 111.5 48.8 -66.1 -42.1 26.5 3.8 8.6 59 56 A R H X S+ 0 0 13 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.914 112.4 47.6 -61.7 -43.8 24.1 5.5 11.1 60 57 A A H X S+ 0 0 44 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.891 115.3 45.8 -65.3 -41.4 21.4 2.9 10.5 61 58 A A H X S+ 0 0 37 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.927 111.6 52.2 -66.4 -44.6 24.0 0.0 10.8 62 59 A W H X S+ 0 0 36 -4,-3.0 4,-3.3 1,-0.2 5,-0.2 0.888 109.5 49.1 -61.5 -41.1 25.5 1.6 13.9 63 60 A R H X S+ 0 0 121 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.904 109.5 51.1 -70.9 -37.3 22.1 1.8 15.6 64 61 A V H X S+ 0 0 87 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.961 117.5 41.0 -57.2 -51.8 21.2 -1.8 14.7 65 62 A L H X S+ 0 0 22 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.865 112.3 53.0 -63.4 -46.1 24.6 -2.9 16.2 66 63 A S H X S+ 0 0 28 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.893 110.4 48.9 -55.3 -44.3 24.4 -0.5 19.2 67 64 A S H < S+ 0 0 82 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.942 111.5 48.3 -66.3 -46.5 21.0 -1.9 20.1 68 65 A I H < S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.958 111.2 50.2 -57.8 -46.7 22.2 -5.5 19.8 69 66 A E H < 0 0 62 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.893 360.0 360.0 -56.2 -38.5 25.2 -4.5 22.0 70 67 A Q < 0 0 199 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.828 360.0 360.0 100.0 360.0 22.5 -3.0 24.3 71 ! 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 72 78 A G > 0 0 111 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-170.2 32.2 -12.3 23.7 73 79 A P T 3> + 0 0 55 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.513 360.0 94.3 -88.8 0.2 33.7 -9.2 22.1 74 80 A E H 3> S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.832 82.1 50.8 -67.4 -43.3 32.4 -9.4 18.6 75 81 A V H <> S+ 0 0 57 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.979 116.2 42.5 -59.0 -51.5 29.3 -7.3 18.9 76 82 A R H > S+ 0 0 100 -4,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.903 114.6 52.3 -58.8 -45.7 31.3 -4.5 20.5 77 83 A E H X S+ 0 0 95 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.911 112.8 43.4 -55.5 -41.8 34.1 -5.0 18.0 78 84 A Y H X S+ 0 0 122 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.913 112.2 51.4 -80.9 -33.2 31.9 -4.8 15.0 79 85 A R H X S+ 0 0 34 -4,-2.7 4,-3.2 -5,-0.2 -1,-0.2 0.912 111.7 49.7 -63.7 -42.5 29.9 -1.8 16.4 80 86 A E H X S+ 0 0 69 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.864 109.4 52.5 -59.4 -36.0 33.3 -0.1 16.9 81 87 A K H X S+ 0 0 105 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.956 114.3 40.3 -68.6 -49.6 34.3 -1.0 13.3 82 88 A V H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.935 116.4 51.4 -61.0 -42.7 31.1 0.5 11.9 83 89 A E H X S+ 0 0 25 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.891 109.0 50.8 -64.5 -40.0 31.4 3.5 14.3 84 90 A T H X S+ 0 0 83 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.895 110.3 49.1 -65.2 -40.6 35.0 4.1 13.3 85 91 A E H X S+ 0 0 93 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.912 111.2 49.4 -66.5 -43.0 34.1 4.1 9.6 86 92 A L H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.930 110.9 50.3 -57.7 -48.4 31.2 6.5 10.2 87 93 A Q H X S+ 0 0 59 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.874 107.7 53.4 -64.5 -34.7 33.4 8.8 12.2 88 94 A G H X S+ 0 0 30 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.936 109.7 48.6 -67.2 -41.0 36.0 8.7 9.4 89 95 A V H X S+ 0 0 22 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.943 112.7 47.5 -58.8 -48.3 33.2 9.8 7.0 90 96 A C H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.934 111.2 51.7 -60.3 -40.9 32.2 12.6 9.3 91 97 A D H X S+ 0 0 92 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.880 109.5 49.2 -64.1 -35.6 35.8 13.6 9.6 92 98 A T H X S+ 0 0 51 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.866 112.3 47.4 -76.1 -30.7 36.3 13.7 5.9 93 99 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.957 114.6 46.9 -65.8 -44.9 33.1 15.8 5.4 94 100 A L H X S+ 0 0 17 -4,-2.9 4,-2.4 1,-0.3 -2,-0.2 0.866 110.3 54.9 -62.8 -32.4 34.2 18.1 8.2 95 101 A G H X S+ 0 0 32 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.3 0.890 107.9 48.2 -69.4 -40.8 37.7 18.1 6.5 96 102 A L H <>S+ 0 0 7 -4,-1.7 5,-2.1 2,-0.2 -2,-0.2 0.896 111.4 49.3 -68.7 -42.0 36.2 19.3 3.3 97 103 A L H <>S+ 0 0 1 -4,-2.5 5,-3.1 1,-0.2 6,-0.5 0.901 116.7 42.1 -57.7 -43.0 34.2 22.0 4.9 98 104 A D H <5S+ 0 0 94 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.695 107.1 69.0 -80.5 -23.7 37.2 23.2 6.8 99 105 A S T <5S- 0 0 54 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.602 131.7 -57.3-133.1 81.1 39.5 22.8 3.7 100 106 A H T >5S+ 0 0 104 -3,-0.4 4,-1.6 -2,-0.2 -3,-0.2 -0.781 112.2 95.3-144.8 32.2 38.2 25.0 2.3 101 107 A L H >4 S- 0 0 110 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.457 84.5-122.2 -78.7 153.8 27.1 34.1 -0.1 108 114 A A H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.894 110.6 59.2 -58.5 -34.3 24.4 33.3 2.4 109 115 A E H > S+ 0 0 85 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.870 113.9 32.9 -58.6 -55.1 23.4 30.3 0.2 110 116 A S H > S+ 0 0 8 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.931 119.2 52.5 -73.8 -44.3 26.7 28.6 0.3 111 117 A R H X S+ 0 0 60 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.919 112.6 41.9 -64.7 -46.3 27.7 29.6 3.8 112 118 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.918 113.1 55.9 -63.8 -44.1 24.5 28.5 5.6 113 119 A F H X S+ 0 0 8 -4,-1.4 4,-2.1 -5,-0.4 -2,-0.2 0.932 113.2 40.0 -52.6 -50.8 24.5 25.3 3.5 114 120 A Y H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.870 115.2 50.1 -70.5 -39.5 28.1 24.4 4.7 115 121 A L H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.886 111.2 49.9 -64.5 -41.8 27.6 25.5 8.3 116 122 A K H X S+ 0 0 3 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.935 112.2 48.7 -56.1 -46.2 24.4 23.5 8.5 117 123 A M H X S+ 0 0 3 -4,-2.1 4,-2.5 -5,-0.3 5,-0.3 0.893 108.4 52.5 -64.0 -41.5 26.4 20.6 7.1 118 124 A K H X S+ 0 0 55 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.929 111.3 47.5 -58.7 -45.9 29.2 21.1 9.6 119 125 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.937 111.2 52.4 -62.3 -42.0 26.5 21.0 12.4 120 126 A D H X S+ 0 0 5 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.907 110.5 45.0 -55.8 -48.3 25.0 17.9 10.8 121 127 A Y H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.856 114.1 49.0 -77.4 -32.5 28.3 15.9 10.7 122 128 A Y H X S+ 0 0 54 -4,-2.2 4,-3.0 -5,-0.3 -1,-0.2 0.863 109.9 53.4 -66.3 -35.2 29.2 17.0 14.2 123 129 A R H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.922 108.8 49.1 -63.5 -39.9 25.7 15.9 15.2 124 130 A Y H X S+ 0 0 6 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.929 111.1 48.9 -64.6 -40.9 26.4 12.5 13.6 125 131 A L H >X S+ 0 0 12 -4,-2.1 3,-1.2 1,-0.2 4,-0.7 0.919 110.5 52.9 -58.4 -45.7 29.7 12.3 15.5 126 132 A A H >< S+ 0 0 2 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.859 97.1 65.5 -61.1 -36.0 27.7 13.3 18.6 127 133 A E H 3< S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.775 115.0 29.5 -56.6 -29.4 25.2 10.4 18.1 128 134 A V H << S+ 0 0 3 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.376 93.9 114.7-110.3 -1.1 28.0 7.9 18.7 129 135 A A << 0 0 11 -3,-0.8 -3,-0.0 -4,-0.7 -4,-0.0 -0.517 360.0 360.0 -74.5 142.4 30.2 9.9 21.1 130 136 A T 0 0 164 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.567 360.0 360.0-145.4 360.0 30.6 8.5 24.7 131 ! 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 0.0 132 140 A K > 0 0 118 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -35.3 31.4 14.2 23.6 133 141 A K H > + 0 0 180 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.920 360.0 51.4 -67.4 -38.7 30.5 17.7 25.0 134 142 A R H > S+ 0 0 215 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.853 110.4 48.6 -62.9 -41.2 33.0 19.3 22.7 135 143 A I H > S+ 0 0 46 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.930 112.3 48.4 -62.9 -48.5 31.5 17.6 19.7 136 144 A I H X S+ 0 0 20 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.920 112.7 49.3 -59.3 -41.3 28.0 18.6 20.8 137 145 A D H X S+ 0 0 85 -4,-2.5 4,-3.3 2,-0.2 -1,-0.2 0.880 108.2 52.1 -68.7 -39.7 29.2 22.1 21.2 138 146 A S H X S+ 0 0 36 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.915 112.3 47.3 -58.9 -44.0 30.9 22.1 17.8 139 147 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 -17,-0.2 5,-0.2 0.979 114.6 45.9 -56.6 -53.0 27.5 20.9 16.3 140 148 A R H X S+ 0 0 84 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.923 113.0 49.8 -58.1 -48.3 25.6 23.6 18.3 141 149 A S H X S+ 0 0 60 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.902 111.7 47.1 -60.8 -41.1 28.1 26.3 17.3 142 150 A A H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.926 115.4 46.1 -67.6 -42.4 28.0 25.5 13.6 143 151 A Y H X S+ 0 0 0 -4,-2.7 4,-3.2 -5,-0.2 -2,-0.2 0.905 111.6 52.4 -62.7 -40.0 24.2 25.4 13.6 144 152 A Q H X S+ 0 0 75 -4,-3.0 4,-3.0 -5,-0.2 -2,-0.2 0.901 109.8 47.0 -66.7 -43.7 24.0 28.6 15.6 145 153 A E H X S+ 0 0 87 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.914 114.6 48.0 -63.9 -44.2 26.2 30.5 13.2 146 154 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.922 111.2 50.8 -60.3 -42.5 24.2 29.1 10.3 147 155 A M H X S+ 0 0 4 -4,-3.2 4,-2.8 2,-0.2 5,-0.3 0.937 109.1 51.4 -61.4 -43.3 20.9 30.0 12.0 148 156 A D H X S+ 0 0 66 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.941 114.3 42.0 -63.5 -43.9 22.2 33.6 12.6 149 157 A I H X S+ 0 0 27 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.950 114.8 50.6 -67.0 -43.6 23.1 34.1 8.9 150 158 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.920 110.5 49.0 -63.5 -41.1 20.0 32.4 7.6 151 159 A K H < S+ 0 0 106 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.888 118.8 39.7 -65.8 -39.1 17.7 34.5 9.8 152 160 A K H < S+ 0 0 162 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.836 129.2 27.8 -73.3 -32.1 19.5 37.7 8.7 153 161 A E H < S+ 0 0 125 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.423 110.2 56.4-120.2 -4.1 20.0 36.8 5.0 154 162 A M S < S- 0 0 10 -4,-2.3 -1,-0.0 -5,-0.2 0, 0.0 -0.963 78.4-105.8-135.1 150.4 17.2 34.4 3.8 155 163 A P > - 0 0 63 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.361 39.5-110.6 -68.0 154.9 13.4 34.4 3.7 156 164 A P T 3 S+ 0 0 29 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.610 117.7 53.6 -67.0 -12.7 11.8 32.1 6.3 157 165 A T T 3 S+ 0 0 3 39,-0.1 55,-0.1 36,-0.1 36,-0.1 0.447 72.3 128.2 -97.7 -3.9 10.7 29.8 3.6 158 166 A N <> - 0 0 32 -3,-2.0 4,-2.8 1,-0.1 5,-0.2 -0.381 63.6-131.8 -53.1 125.7 14.1 29.3 2.0 159 167 A P H > S+ 0 0 48 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.867 105.7 46.5 -47.6 -47.4 14.5 25.4 1.8 160 168 A I H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.885 111.3 50.4 -65.8 -44.1 18.0 25.5 3.4 161 169 A R H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.936 115.6 44.8 -52.6 -48.2 17.0 27.8 6.1 162 170 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.911 114.5 46.7 -61.0 -45.6 14.1 25.4 6.8 163 171 A G H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.2 65,-0.4 0.852 112.3 52.1 -70.0 -28.4 16.3 22.3 6.6 164 172 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.949 112.2 44.4 -69.1 -47.6 18.8 24.0 8.9 165 173 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.933 111.7 53.5 -68.5 -43.0 16.2 24.8 11.5 166 174 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.953 113.6 42.6 -50.3 -51.1 14.7 21.3 11.2 167 175 A N H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.842 112.3 52.8 -67.9 -33.8 18.1 19.7 11.9 168 176 A F H X S+ 0 0 7 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.857 109.0 50.3 -69.8 -32.9 19.0 22.1 14.6 169 177 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.923 110.6 49.3 -69.5 -42.0 15.7 21.3 16.2 170 178 A V H X>S+ 0 0 0 -4,-2.3 4,-3.9 2,-0.2 5,-0.5 0.917 109.8 52.6 -59.2 -39.3 16.5 17.6 15.9 171 179 A F H X>S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-2.4 0.941 110.0 48.2 -61.2 -47.0 19.9 18.3 17.4 172 180 A H H <5S+ 0 0 14 -4,-2.4 6,-3.4 3,-0.2 -1,-0.2 0.904 119.1 38.2 -61.9 -45.6 18.2 20.0 20.3 173 181 A Y H <5S+ 0 0 83 -4,-2.6 -2,-0.2 4,-0.2 -1,-0.2 0.937 128.8 28.6 -69.9 -47.7 15.8 17.2 20.9 174 182 A E H <5S+ 0 0 85 -4,-3.9 -3,-0.2 -5,-0.2 -2,-0.2 0.794 134.4 19.6 -91.4 -28.2 18.0 14.2 20.2 175 183 A I T < + 0 0 41 -6,-3.4 4,-2.4 -7,-0.2 5,-0.2 -0.525 22.7 161.7-131.0 68.5 16.6 20.1 25.1 179 187 A P H > S+ 0 0 50 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.865 76.9 55.0 -61.4 -34.3 13.2 19.0 23.8 180 188 A E H > S+ 0 0 166 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.937 108.9 46.7 -61.2 -46.3 11.6 22.3 24.7 181 189 A E H > S+ 0 0 99 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.938 112.9 51.8 -58.0 -45.5 14.2 24.2 22.7 182 190 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.920 113.0 43.9 -53.3 -49.8 13.6 21.6 19.8 183 191 A I H X S+ 0 0 31 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.908 113.8 49.7 -66.6 -43.4 9.8 22.2 19.9 184 192 A S H X S+ 0 0 52 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.958 113.4 47.3 -64.3 -45.7 10.1 26.0 20.2 185 193 A L H X S+ 0 0 20 -4,-3.0 4,-2.8 -5,-0.3 5,-0.2 0.934 113.2 45.9 -60.1 -49.9 12.4 26.1 17.3 186 194 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.932 116.0 46.8 -62.6 -42.7 10.3 23.8 15.1 187 195 A K H X S+ 0 0 87 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.971 114.7 45.5 -62.9 -49.8 7.1 25.6 15.9 188 196 A T H X S+ 0 0 54 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.901 114.8 49.4 -61.7 -41.2 8.6 29.2 15.4 189 197 A T H X S+ 0 0 13 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.946 113.0 45.3 -63.3 -48.7 10.3 28.0 12.2 190 198 A F H X S+ 0 0 30 -4,-2.6 4,-3.1 -5,-0.2 -2,-0.2 0.935 113.7 50.6 -60.9 -44.8 7.1 26.5 10.8 191 199 A D H X S+ 0 0 86 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.932 112.1 45.3 -66.4 -42.6 5.0 29.6 11.8 192 200 A E H < S+ 0 0 88 -4,-2.7 4,-0.4 -5,-0.2 -1,-0.2 0.871 114.1 49.0 -69.3 -34.0 7.3 32.1 10.2 193 201 A A H >X S+ 0 0 0 -4,-2.2 3,-2.0 -5,-0.2 4,-0.9 0.949 108.3 55.0 -66.4 -43.8 7.5 30.0 7.1 194 202 A M H >< S+ 0 0 88 -4,-3.1 3,-1.0 1,-0.3 4,-0.4 0.918 106.9 51.0 -51.5 -45.3 3.7 29.6 7.0 195 203 A A T 3< S+ 0 0 71 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.611 111.3 47.5 -75.1 -9.2 3.4 33.4 7.1 196 204 A D T X4 S+ 0 0 32 -3,-2.0 3,-1.7 -4,-0.4 -1,-0.2 0.445 83.6 91.6-107.5 -5.0 5.9 33.8 4.1 197 205 A L G X< S+ 0 0 14 -3,-1.0 3,-2.4 -4,-0.9 -2,-0.1 0.824 74.0 69.3 -60.5 -31.4 4.3 31.2 1.8 198 206 A H G 3 S+ 0 0 160 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.690 93.7 59.0 -62.3 -20.2 2.1 33.9 0.2 199 207 A T G < S+ 0 0 78 -3,-1.7 -1,-0.3 2,-0.1 2,-0.3 0.555 93.3 92.6 -84.2 -9.2 5.2 35.4 -1.4 200 208 A L S < S- 0 0 44 -3,-2.4 2,-0.0 -4,-0.2 -3,-0.0 -0.596 72.6-121.9 -93.5 152.1 6.1 32.2 -3.2 201 209 A S > - 0 0 69 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.309 44.4 -97.6 -68.9 166.9 5.5 30.8 -6.6 202 210 A E H > S+ 0 0 161 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.871 124.8 49.3 -58.5 -38.1 3.8 27.4 -6.8 203 211 A D H > S+ 0 0 121 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 114.1 43.3 -72.2 -43.9 7.1 25.6 -7.2 204 212 A S H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.849 112.7 55.6 -66.1 -36.4 8.8 27.4 -4.3 205 213 A Y H X S+ 0 0 114 -4,-3.1 4,-2.5 2,-0.2 5,-0.3 0.933 108.8 46.3 -60.0 -49.2 5.6 26.8 -2.3 206 214 A K H X S+ 0 0 140 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.932 112.4 51.1 -58.5 -46.2 5.8 23.1 -3.0 207 215 A D H X S+ 0 0 81 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.895 116.0 40.3 -57.9 -44.8 9.5 23.1 -2.0 208 216 A S H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.882 113.2 50.7 -74.4 -42.7 9.0 24.9 1.3 209 217 A T H X S+ 0 0 40 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.840 103.7 60.8 -69.7 -29.8 5.8 23.2 2.4 210 218 A L H X S+ 0 0 108 -4,-1.9 4,-0.8 -5,-0.3 -1,-0.2 0.945 112.1 39.6 -58.6 -40.5 7.4 19.8 1.8 211 219 A I H >X S+ 0 0 12 -4,-1.0 4,-1.3 1,-0.2 3,-0.6 0.880 110.0 58.1 -78.6 -36.0 10.1 20.8 4.4 212 220 A M H 3X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.814 98.3 62.1 -59.4 -32.9 7.6 22.4 6.7 213 221 A Q H 3X S+ 0 0 95 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.874 99.6 53.5 -64.4 -35.1 5.7 19.1 6.9 214 222 A L H