==== 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 30-JAN-12 4DHU . 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) . 12709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 82.9 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 . 168 73.7 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 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 0 141 0, 0.0 3,-0.3 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -10.8 -1.8 9.2 6.4 2 -2 A M > + 0 0 40 1,-0.2 3,-1.7 2,-0.1 8,-0.1 0.356 360.0 103.6-100.3 6.3 0.4 11.8 8.3 3 -1 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.2 32,-0.0 0, 0.0 0.766 80.2 50.4 -59.2 -27.8 -2.5 14.2 8.9 4 0 A S T 3 S+ 0 0 124 -3,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.534 92.8 91.0 -88.6 -6.6 -2.9 13.2 12.5 5 1 A M S < S- 0 0 38 -3,-1.7 5,-0.1 1,-0.1 -3,-0.0 -0.752 83.3-107.0 -95.7 139.5 0.8 13.5 13.4 6 2 A E > - 0 0 143 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.250 23.9-123.4 -54.2 142.9 2.3 16.8 14.8 7 3 A R H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.915 113.8 49.1 -51.6 -48.3 4.5 18.7 12.5 8 4 A A H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.865 109.5 52.2 -67.5 -33.7 7.4 18.6 14.9 9 5 A S H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.870 107.7 51.9 -66.4 -38.7 7.0 14.8 15.4 10 6 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 111.6 46.7 -62.3 -43.9 7.1 14.3 11.6 11 7 A I H X S+ 0 0 12 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.937 112.1 50.3 -65.1 -43.6 10.4 16.3 11.4 12 8 A Q H X S+ 0 0 122 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.928 112.7 46.5 -58.6 -45.1 11.8 14.3 14.4 13 9 A K H X S+ 0 0 85 -4,-2.8 4,-3.2 2,-0.2 -1,-0.2 0.851 106.5 58.2 -69.1 -30.4 10.9 11.0 12.7 14 10 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.911 108.3 47.4 -61.8 -39.8 12.3 12.1 9.3 15 11 A K H X S+ 0 0 77 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.883 112.5 48.4 -69.6 -38.4 15.7 12.6 11.2 16 12 A L H X S+ 0 0 93 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.920 110.8 51.7 -62.9 -45.4 15.3 9.2 12.8 17 13 A A H <>S+ 0 0 7 -4,-3.2 5,-3.0 1,-0.2 4,-0.3 0.895 107.3 52.8 -60.4 -41.3 14.5 7.6 9.4 18 14 A E H ><5S+ 0 0 71 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.931 108.8 49.5 -58.7 -45.4 17.6 9.2 7.9 19 15 A Q H 3<5S+ 0 0 159 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.870 113.6 46.6 -62.7 -31.9 19.8 7.7 10.7 20 16 A A T 3<5S- 0 0 67 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.371 112.1-121.1 -87.5 1.5 18.2 4.3 10.0 21 17 A E T < 5 + 0 0 145 -3,-1.5 2,-1.0 -4,-0.3 -3,-0.2 0.806 66.0 142.7 56.1 36.4 18.6 4.7 6.2 22 18 A R >< + 0 0 144 -5,-3.0 4,-2.4 1,-0.2 -1,-0.2 -0.673 17.1 166.3-103.8 79.3 14.8 4.3 5.8 23 19 A Y H > + 0 0 52 -2,-1.0 4,-2.6 1,-0.2 32,-0.2 0.800 69.3 55.0 -74.8 -29.9 14.5 6.8 3.0 24 20 A E H > S+ 0 0 153 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.944 112.8 44.7 -65.2 -44.2 10.9 6.0 1.9 25 21 A D H > S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.927 112.0 53.4 -62.3 -42.9 9.8 6.5 5.5 26 22 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.914 109.7 48.0 -57.7 -44.5 11.8 9.8 5.6 27 23 A A H X S+ 0 0 5 -4,-2.6 4,-2.9 24,-0.3 -1,-0.2 0.914 110.9 50.1 -64.1 -43.6 10.1 11.0 2.4 28 24 A A H X S+ 0 0 39 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.901 110.9 49.7 -63.6 -37.5 6.7 10.2 3.7 29 25 A F H X S+ 0 0 33 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.928 113.5 45.9 -64.8 -45.8 7.4 12.0 7.0 30 26 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.869 109.4 54.1 -68.0 -33.9 8.7 15.1 5.1 31 27 A K H X S+ 0 0 69 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.923 110.0 48.7 -60.3 -46.5 5.7 15.0 2.7 32 28 A G H X S+ 0 0 4 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.909 110.5 51.2 -59.0 -39.7 3.4 15.1 5.8 33 29 A A H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 5,-0.4 0.932 110.6 47.7 -63.9 -45.0 5.4 18.0 7.2 34 30 A V H >< S+ 0 0 8 -4,-2.9 3,-2.4 1,-0.2 -1,-0.2 0.928 105.0 60.6 -59.3 -42.4 5.1 20.0 4.0 35 31 A E H 3< S+ 0 0 110 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.607 82.8 79.9 -67.7 -10.5 1.4 19.3 3.9 36 32 A K T << S- 0 0 72 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.700 104.1-126.9 -63.8 -20.6 1.0 21.0 7.2 37 33 A G < + 0 0 68 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.291 67.6 121.8 98.4 -11.8 1.1 24.2 5.1 38 34 A E - 0 0 131 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.549 69.9-101.4 -80.2 150.3 3.9 26.1 7.0 39 35 A E - 0 0 111 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.239 40.1-115.3 -61.3 160.7 7.0 27.2 5.2 40 36 A L - 0 0 9 65,-0.1 -1,-0.1 1,-0.1 -6,-0.0 -0.828 19.2-129.2-103.0 142.3 10.1 25.0 5.7 41 37 A S > - 0 0 51 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.210 36.3 -96.7 -73.2 173.3 13.3 26.1 7.4 42 38 A X H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.943 127.3 48.2 -59.3 -45.0 16.7 25.6 5.8 43 39 A E H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 112.6 48.6 -62.8 -42.5 17.3 22.4 7.8 44 40 A E H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 107.9 54.4 -67.3 -39.6 13.8 21.1 6.9 45 41 A R H X S+ 0 0 26 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.923 108.4 50.2 -58.6 -42.2 14.3 21.8 3.2 46 42 A N H X S+ 0 0 74 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.901 108.2 51.9 -65.9 -34.9 17.5 19.8 3.3 47 43 A L H X S+ 0 0 11 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.915 109.8 49.8 -64.0 -42.1 15.6 16.9 4.9 48 44 A L H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.931 113.7 45.3 -60.1 -46.8 13.0 17.0 2.2 49 45 A S H X S+ 0 0 25 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.924 112.5 49.3 -66.2 -46.3 15.7 17.0 -0.6 50 46 A V H X S+ 0 0 41 -4,-2.8 4,-2.0 -5,-0.2 5,-0.2 0.931 111.0 51.8 -58.4 -44.3 17.8 14.2 1.0 51 47 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -24,-0.3 0.968 116.3 36.9 -59.2 -57.3 14.7 11.9 1.5 52 48 A Y H X S+ 0 0 15 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.858 112.3 57.9 -69.5 -31.3 13.4 12.2 -2.1 53 49 A K H X S+ 0 0 124 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.904 110.1 45.5 -67.4 -34.5 16.9 12.2 -3.7 54 50 A N H X S+ 0 0 67 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.909 114.2 48.0 -71.8 -39.8 17.6 8.8 -2.1 55 51 A V H X S+ 0 0 21 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.962 117.3 40.6 -63.7 -52.2 14.2 7.4 -3.0 56 52 A V H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.845 110.0 60.8 -67.9 -29.6 14.4 8.5 -6.6 57 53 A G H X S+ 0 0 27 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.934 104.3 48.2 -64.6 -41.2 18.1 7.5 -6.8 58 54 A G H X S+ 0 0 47 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.891 113.9 48.1 -58.8 -41.3 17.2 3.9 -6.0 59 55 A Q H X S+ 0 0 29 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.884 110.7 50.1 -67.4 -41.7 14.5 4.0 -8.7 60 56 A R H X S+ 0 0 49 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.912 110.5 50.0 -65.7 -41.6 16.8 5.5 -11.3 61 57 A A H X S+ 0 0 57 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.928 113.6 45.6 -62.5 -42.3 19.5 2.9 -10.7 62 58 A A H X S+ 0 0 39 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.918 110.5 53.2 -63.8 -46.5 16.9 0.1 -11.0 63 59 A W H X S+ 0 0 39 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.891 109.0 50.5 -56.2 -41.2 15.4 1.6 -14.1 64 60 A R H X S+ 0 0 125 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.925 109.5 49.4 -67.1 -41.1 18.9 1.8 -15.7 65 61 A V H X S+ 0 0 89 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.933 116.3 42.5 -58.4 -51.0 19.7 -1.8 -15.0 66 62 A L H X S+ 0 0 22 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.892 112.6 53.0 -67.1 -40.2 16.3 -3.0 -16.4 67 63 A S H X S+ 0 0 20 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.891 108.7 50.8 -62.7 -39.1 16.5 -0.6 -19.4 68 64 A S H X S+ 0 0 58 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 111.2 47.2 -64.9 -42.8 19.9 -2.0 -20.3 69 65 A I H X S+ 0 0 85 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.913 112.9 50.5 -63.1 -41.2 18.6 -5.6 -20.1 70 66 A E H X S+ 0 0 15 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.923 109.5 49.9 -63.4 -43.4 15.7 -4.6 -22.2 71 67 A Q H >< S+ 0 0 118 -4,-2.8 3,-0.8 1,-0.2 -1,-0.2 0.892 109.2 52.1 -64.9 -39.8 18.0 -3.0 -24.9 72 68 A K H 3< S+ 0 0 175 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 106.3 53.4 -62.5 -39.3 20.1 -6.1 -25.0 73 69 A S H 3< 0 0 82 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.685 360.0 360.0 -68.3 -16.4 17.1 -8.2 -25.6 74 70 A N << 0 0 147 -4,-0.8 -3,-0.1 -3,-0.8 -4,-0.0 0.017 360.0 360.0 -99.2 360.0 16.2 -5.9 -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 0 106 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-175.8 8.5 -12.5 -23.7 77 79 A P > + 0 0 53 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.413 360.0 98.8 -84.6 -2.7 7.1 -9.2 -22.3 78 80 A E H > S+ 0 0 125 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.841 80.0 48.6 -64.7 -41.2 8.4 -9.5 -18.8 79 81 A V H > S+ 0 0 48 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.950 117.0 43.7 -64.1 -47.5 11.6 -7.3 -19.0 80 82 A R H > S+ 0 0 105 -4,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.928 114.2 51.4 -60.6 -43.8 9.5 -4.5 -20.6 81 83 A E H X S+ 0 0 98 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.915 113.6 42.9 -59.0 -45.7 6.6 -5.0 -18.1 82 84 A Y H X S+ 0 0 120 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.912 112.9 51.4 -75.4 -36.4 8.9 -4.8 -15.1 83 85 A R H X S+ 0 0 34 -4,-2.9 4,-3.0 -5,-0.2 -1,-0.2 0.927 111.1 50.4 -61.3 -44.1 10.9 -1.8 -16.5 84 86 A E H X S+ 0 0 72 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.860 108.2 52.9 -60.2 -36.8 7.5 -0.1 -17.1 85 87 A K H X S+ 0 0 117 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.951 113.1 42.3 -63.4 -49.8 6.5 -0.9 -13.4 86 88 A V H X S+ 0 0 10 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.930 114.3 52.9 -63.6 -39.8 9.7 0.7 -12.1 87 89 A E H X S+ 0 0 30 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.906 108.2 49.7 -62.7 -42.4 9.3 3.6 -14.5 88 90 A T H X S+ 0 0 86 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.891 111.0 48.9 -65.0 -38.9 5.8 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 0.901 111.1 50.6 -69.1 -38.2 6.8 4.2 -9.7 90 92 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.912 110.3 49.8 -61.7 -45.9 9.7 6.6 -10.5 91 93 A Q H X S+ 0 0 60 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.883 108.1 54.3 -61.1 -37.6 7.3 8.9 -12.3 92 94 A G H X S+ 0 0 31 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.889 108.1 48.1 -64.6 -38.4 4.9 8.8 -9.4 93 95 A V H X S+ 0 0 23 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.935 113.0 48.5 -65.4 -47.0 7.7 9.9 -7.0 94 96 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.911 111.4 49.4 -59.6 -44.5 8.7 12.8 -9.3 95 97 A D H X S+ 0 0 94 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.863 109.5 53.2 -63.4 -35.1 5.0 13.9 -9.7 96 98 A T H X S+ 0 0 52 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.939 111.7 44.1 -63.7 -46.2 4.7 13.8 -5.8 97 99 A V H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 3,-0.2 0.950 114.0 49.9 -65.7 -46.1 7.7 16.1 -5.4 98 100 A L H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.886 109.3 53.8 -59.4 -37.2 6.6 18.4 -8.2 99 101 A G H X S+ 0 0 35 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.884 106.8 49.3 -64.5 -37.5 3.2 18.5 -6.6 100 102 A L H <>S+ 0 0 8 -4,-1.9 5,-2.0 -3,-0.2 -2,-0.2 0.887 111.9 49.7 -68.8 -38.4 4.6 19.6 -3.2 101 103 A L H <>S+ 0 0 2 -4,-2.4 5,-2.5 1,-0.2 6,-0.5 0.893 116.1 42.0 -66.4 -38.0 6.6 22.3 -4.9 102 104 A D H <5S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.686 106.0 68.7 -79.9 -20.3 3.5 23.5 -6.8 103 105 A S T <5S- 0 0 63 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.639 132.3 -55.2-137.0 78.1 1.2 23.2 -3.8 104 106 A H T >5S+ 0 0 110 -3,-0.3 4,-1.5 -2,-0.2 -3,-0.2 -0.728 111.1 96.0-142.9 37.2 2.5 25.4 -2.3 105 107 A L H >4 S- 0 0 127 1,-0.1 4,-2.8 4,-0.0 5,-0.3 -0.540 81.9-124.0 -79.0 146.3 13.8 34.6 0.2 112 114 A A H > S+ 0 0 23 1,-0.2 4,-3.0 -2,-0.2 5,-0.3 0.892 108.1 55.4 -54.4 -42.6 16.4 33.8 -2.4 113 115 A E H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.893 115.7 38.2 -62.7 -38.4 17.8 30.8 -0.4 114 116 A S H > S+ 0 0 8 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.935 117.1 48.7 -78.3 -43.1 14.4 29.1 -0.3 115 117 A R H X S+ 0 0 63 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.932 114.2 45.2 -65.1 -44.0 13.2 30.1 -3.8 116 118 A V H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.2 0.907 111.5 54.6 -63.0 -43.0 16.4 29.0 -5.5 117 119 A F H X S+ 0 0 16 -4,-1.5 4,-2.1 -5,-0.3 -2,-0.2 0.936 112.9 42.0 -54.0 -49.2 16.3 25.7 -3.5 118 120 A Y H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.891 113.4 50.2 -73.3 -33.2 12.8 24.9 -4.6 119 121 A L H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.868 109.6 52.3 -72.3 -36.4 13.2 25.9 -8.3 120 122 A K H X S+ 0 0 34 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.922 109.4 50.2 -59.1 -44.6 16.4 23.8 -8.4 121 123 A M H X S+ 0 0 5 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.923 108.5 51.9 -58.1 -43.4 14.3 20.8 -7.1 122 124 A K H X S+ 0 0 59 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.935 111.0 48.2 -58.7 -45.0 11.7 21.5 -9.7 123 125 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.923 112.1 49.4 -56.7 -48.4 14.5 21.4 -12.4 124 126 A D H X S+ 0 0 7 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.918 111.5 46.5 -63.2 -46.2 15.9 18.1 -11.0 125 127 A Y H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.858 113.4 48.0 -73.5 -30.7 12.6 16.2 -10.8 126 128 A Y H X S+ 0 0 59 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.881 109.8 55.7 -68.9 -35.2 11.6 17.3 -14.3 127 129 A R H X S+ 0 0 10 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.908 107.0 48.3 -58.8 -41.7 15.1 16.2 -15.3 128 130 A Y H X S+ 0 0 11 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.897 111.2 50.7 -68.1 -37.9 14.4 12.7 -13.8 129 131 A L H >X S+ 0 0 13 -4,-2.0 3,-0.9 1,-0.2 4,-0.7 0.906 108.4 53.3 -61.9 -39.6 11.1 12.6 -15.7 130 132 A A H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.824 97.2 65.2 -66.1 -30.9 13.0 13.5 -18.9 131 133 A E H 3< S+ 0 0 32 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.810 113.9 31.9 -61.3 -30.8 15.5 10.6 -18.4 132 134 A V H << S+ 0 0 7 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.405 101.2 99.8-105.6 -0.7 12.7 8.1 -18.9 133 135 A A << - 0 0 6 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.0 -0.495 52.9-160.5 -80.9 157.0 10.5 10.1 -21.3 134 136 A T > - 0 0 110 -2,-0.2 4,-1.4 0, 0.0 3,-0.5 -0.902 44.5 -8.5-128.4 164.4 10.5 9.6 -25.1 135 137 A G H > S- 0 0 52 -2,-0.3 4,-0.8 1,-0.2 -2,-0.0 -0.153 115.0 -20.7 69.9-144.4 9.4 11.7 -28.1 136 138 A D H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.826 132.6 62.2 -72.9 -35.8 7.5 15.0 -28.0 137 139 A D H > S+ 0 0 88 -3,-0.5 4,-1.8 1,-0.3 3,-0.3 0.941 100.5 57.2 -58.3 -39.2 6.3 14.4 -24.6 138 140 A K H X S+ 0 0 65 -4,-1.4 4,-2.6 1,-0.2 -1,-0.3 0.824 100.7 59.3 -51.9 -42.9 10.0 14.4 -23.8 139 141 A K H X S+ 0 0 141 -4,-0.8 4,-2.4 -3,-0.5 -1,-0.2 0.921 105.0 44.2 -62.0 -48.2 10.3 17.9 -25.3 140 142 A R H X S+ 0 0 194 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.870 114.8 51.4 -66.8 -32.8 7.8 19.7 -23.0 141 143 A I H X S+ 0 0 28 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.914 110.1 48.5 -69.6 -42.6 9.3 17.9 -20.0 142 144 A I H X S+ 0 0 39 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.921 111.3 50.9 -60.3 -43.9 12.9 19.0 -21.0 143 145 A D H X S+ 0 0 84 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.875 107.2 53.2 -63.9 -35.7 11.6 22.5 -21.4 144 146 A S H X S+ 0 0 42 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.902 111.1 46.7 -62.0 -42.1 10.0 22.4 -17.9 145 147 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.955 113.5 49.1 -63.7 -47.8 13.3 21.4 -16.4 146 148 A R H X S+ 0 0 89 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.909 110.5 50.1 -56.0 -48.9 15.1 24.1 -18.4 147 149 A S H X S+ 0 0 59 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.916 111.6 47.6 -61.0 -43.9 12.7 26.8 -17.4 148 150 A A H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.942 114.0 46.6 -63.5 -49.8 12.9 26.0 -13.7 149 151 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.890 111.8 52.1 -57.0 -41.3 16.7 25.8 -13.7 150 152 A Q H X S+ 0 0 73 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.920 109.2 48.0 -67.1 -42.8 16.8 29.1 -15.6 151 153 A E H X S+ 0 0 79 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.925 113.5 49.2 -62.4 -41.4 14.6 31.0 -13.2 152 154 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.894 111.1 49.1 -61.7 -43.6 16.7 29.6 -10.3 153 155 A M H X S+ 0 0 11 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.914 108.8 53.1 -64.0 -43.6 19.9 30.7 -12.0 154 156 A D H X S+ 0 0 75 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.929 114.2 41.3 -58.7 -45.3 18.6 34.2 -12.6 155 157 A I H X S+ 0 0 18 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.919 113.7 53.5 -66.7 -42.4 17.7 34.7 -9.0 156 158 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.882 108.7 48.4 -63.7 -38.0 20.9 33.0 -7.7 157 159 A K H < S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.852 117.5 41.9 -71.6 -32.4 23.1 35.3 -9.8 158 160 A K H < S+ 0 0 145 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.808 128.1 27.0 -77.3 -36.2 21.2 38.4 -8.6 159 161 A E H < S+ 0 0 129 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.527 109.8 56.6-115.3 -11.9 20.9 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 77.5-108.2-128.9 153.4 23.7 35.1 -3.8 161 163 A P > - 0 0 64 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.393 38.7-108.1 -74.2 160.0 27.5 35.2 -3.8 162 164 A P T 3 S+ 0 0 34 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.654 118.2 52.5 -66.2 -14.7 29.3 33.0 -6.4 163 165 A T T 3 S+ 0 0 4 35,-0.1 55,-0.1 36,-0.1 5,-0.1 0.457 73.9 126.8 -95.2 -1.9 30.4 30.6 -3.6 164 166 A N <> - 0 0 16 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 -0.338 61.4-136.2 -58.2 128.5 27.0 30.1 -2.1 165 167 A P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.821 102.9 51.0 -61.7 -31.1 26.6 26.2 -1.9 166 168 A I H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 111.4 47.8 -70.6 -41.5 23.0 26.3 -3.2 167 169 A R H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 114.7 47.6 -58.6 -44.1 24.1 28.5 -6.2 168 170 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.917 112.0 48.1 -64.0 -45.1 27.0 26.1 -6.8 169 171 A G H X S+ 0 0 13 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.870 110.6 52.1 -65.2 -38.0 24.8 23.0 -6.6 170 172 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.934 111.2 46.5 -59.7 -48.1 22.2 24.6 -8.9 171 173 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.914 111.2 52.6 -65.1 -40.8 24.9 25.4 -11.5 172 174 A L H X S+ 0 0 19 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.952 113.9 42.5 -55.8 -52.0 26.4 21.9 -11.2 173 175 A N H X S+ 0 0 28 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.876 112.8 51.7 -69.6 -33.7 22.9 20.2 -11.8 174 176 A F H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.892 109.1 52.1 -68.4 -35.5 22.0 22.6 -14.6 175 177 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.922 109.7 49.2 -62.9 -40.8 25.4 21.8 -16.3 176 178 A V H X>S+ 0 0 19 -4,-2.2 4,-3.0 2,-0.2 5,-0.5 0.915 108.1 54.0 -64.9 -38.4 24.5 18.1 -15.9 177 179 A F H X>S+ 0 0 4 -4,-2.5 5,-2.3 1,-0.2 4,-2.2 0.957 110.0 47.7 -58.5 -48.0 21.1 18.8 -17.5 178 180 A H H <5S+ 0 0 19 -4,-2.6 6,-3.0 3,-0.2 -1,-0.2 0.912 118.3 39.6 -60.7 -42.9 22.8 20.4 -20.5 179 181 A Y H <5S+ 0 0 89 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.923 128.2 27.9 -75.7 -42.5 25.3 17.6 -21.0 180 182 A E H <5S+ 0 0 102 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.739 133.9 20.8 -94.5 -26.9 23.0 14.6 -20.3 181 183 A I T < + 0 0 46 -6,-3.0 4,-2.1 -7,-0.2 3,-0.3 -0.563 21.2 159.2-129.5 61.8 24.4 20.7 -25.2 185 187 A P H > S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.859 75.9 55.4 -58.8 -34.0 27.8 19.6 -24.0 186 188 A E H > S+ 0 0 166 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.911 108.0 47.3 -64.9 -40.4 29.4 22.9 -24.9 187 189 A E H > S+ 0 0 107 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.899 112.1 52.7 -65.9 -37.0 26.8 24.8 -22.7 188 190 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.931 111.9 43.7 -60.4 -48.9 27.5 22.3 -19.9 189 191 A I H X S+ 0 0 43 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.924 114.0 50.5 -65.9 -43.3 31.3 22.9 -20.1 190 192 A S H X S+ 0 0 65 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.928 113.2 46.2 -61.3 -44.5 30.9 26.7 -20.3 191 193 A L H X S+ 0 0 18 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.936 113.7 46.8 -65.5 -45.4 28.6 26.8 -17.3 192 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.904 115.2 46.7 -65.2 -40.2 30.7 24.5 -15.2 193 195 A K H X S+ 0 0 108 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.949 114.1 45.6 -68.4 -47.1 33.9 26.4 -16.0 194 196 A T H X S+ 0 0 56 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.913 114.4 49.7 -60.8 -43.5 32.5 29.9 -15.5 195 197 A T H X S+ 0 0 16 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.940 112.6 47.3 -60.1 -45.0 30.8 28.8 -12.2 196 198 A F H X S+ 0 0 16 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.942 113.7 47.0 -61.3 -46.0 34.1 27.3 -11.0 197 199 A D H X S+ 0 0 70 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.887 112.0 48.3 -68.5 -40.7 36.2 30.3 -11.9 198 200 A E H X S+ 0 0 87 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.864 113.0 49.3 -70.3 -31.7 33.8 32.8 -10.3 199 201 A A H >X S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.3 4,-0.8 0.937 107.2 54.6 -68.4 -46.3 33.6 30.8 -7.1 200 202 A M H >< S+ 0 0 101 -4,-2.8 3,-1.1 1,-0.3 4,-0.4 0.913 106.1 53.2 -52.5 -42.8 37.5 30.5 -7.0 201 203 A A H 3< S+ 0 0 72 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.627 111.2 46.0 -67.3 -16.7 37.7 34.3 -7.1 202 204 A D H X< S+ 0 0 30 -3,-1.6 3,-1.8 -4,-0.5 -1,-0.3 0.408 83.5 94.0-105.1 -7.5 35.3 34.7 -4.1 203 205 A L G X< S+ 0 0 12 -3,-1.1 3,-2.0 -4,-0.8 -2,-0.1 0.820 73.3 69.2 -57.5 -32.4 36.9 32.0 -1.8 204 206 A H G 3 S+ 0 0 158 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.711 92.2 60.3 -62.4 -17.1 39.0 34.7 -0.1 205 207 A T G < S+ 0 0 79 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.536 92.4 94.1 -85.5 -7.4 35.9 36.2 1.5 206 208 A L S < S- 0 0 45 -3,-2.0 2,-0.0 -4,-0.2 -3,-0.0 -0.577 71.2-122.2 -96.9 148.0 35.0 33.0 3.3 207 209 A S > - 0 0 69 -2,-0.2 4,-3.3 1,-0.1 5,-0.2 -0.245 43.2 -96.8 -65.2 167.1 35.5 31.5 6.8 208 210 A E H > S+ 0 0 165 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.908 125.6 45.6 -54.6 -45.6 37.3 28.1 7.1 209 211 A D H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 113.8 46.4 -70.8 -42.2 34.0 26.3 7.4 210 212 A S H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.894 110.4 56.0 -64.1 -40.1 32.3 28.1 4.4 211 213 A Y H X S+ 0 0 114 -4,-3.3 4,-2.8 1,-0.2 5,-0.3 0.924 106.9 48.6 -56.8 -45.3 35.4 27.5 2.4 212 214 A K H X S+ 0 0 139 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.939 112.1 49.9 -58.6 -46.3 35.1 23.7 3.1 213 215 A D H X S+ 0 0 79 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.933 116.3 40.8 -58.8 -47.6 31.4 23.8 2.0 214 216 A S H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.913 112.5 51.8 -71.6 -43.1 32.1 25.7 -1.2 215 217 A T H X S+ 0 0 44 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.835 102.4 62.1 -67.7 -29.0 35.2 23.9 -2.3 216 218 A L H X S+ 0 0 113 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.940 110.5 39.0 -57.6 -45.3 33.5 20.5 -1.9 217 219 A I H X S+ 0 0 24 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.886 111.2 58.2 -77.3 -34.9 30.9 21.5 -4.6 218 220 A M H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.883 101.8 56.1 -58.2 -35.5 33.6 23.2 -6.7 219 221 A Q H X S+ 0 0 89 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.885 104.2 53.7 -65.4 -34.7 35.4 19.8 -6.7 220 222 A L H X S+ 0 0 71 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.906 108.2 49.3 -62.8 -42.6 32.2 18.2 -8.2 221 223 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.942 112.7 47.8 -61.4 -44.4 32.3 20.9 -11.0 222 224 A R H X S+ 0 0 122 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.911 108.0 55.0 -64.0 -38.5 35.9 20.1 -11.6 223 225 A D H X S+ 0 0 74 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.886 111.0 45.8 -61.7 -39.8 35.2 16.3 -11.6 224 226 A N H X S+ 0 0 29 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.913 109.2 53.6 -68.6 -42.5 32.6 16.8 -14.4 225 227 A L H X S+ 0 0 26 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.901 110.0 49.4 -59.6 -38.7 34.9 19.1 -16.4 226 228 A T H < S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.870 111.6 48.0 -64.3 -40.5 37.5 16.3 -16.3 227 229 A L H < S+ 0 0 131 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.839 117.9 43.2 -64.8 -32.3 34.9 13.7 -17.4 228 230 A W H < 0 0 29 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.587 360.0 360.0 -97.5 -14.0 33.7 16.1 -20.2 229 231 A T < 0 0 140 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.1 0.175 360.0 360.0-119.8 360.0 36.9 17.4 -21.7