==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING, SIGNALING PROTEIN 20-AUG-09 3IQJ . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.OTTMANN,M.WEYAND . 244 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 77.0 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 -4 A G > 0 0 91 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-138.0 -44.4 -11.9 -4.2 2 -3 A A T 3 + 0 0 101 1,-0.3 3,-0.4 2,-0.1 27,-0.0 0.668 360.0 52.8 -62.8 -23.1 -43.1 -9.1 -6.6 3 -2 A M T > S+ 0 0 40 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.456 77.5 99.8 -91.6 4.4 -41.0 -11.9 -8.3 4 -1 A G T < S+ 0 0 47 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.733 81.4 49.6 -62.2 -28.5 -43.8 -14.2 -8.9 5 0 A S T 3 S+ 0 0 122 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.3 0.504 93.8 91.8 -89.8 -3.0 -44.2 -13.2 -12.6 6 1 A M S < S- 0 0 38 -3,-1.8 5,-0.1 1,-0.1 -3,-0.0 -0.766 82.4-108.8 -96.3 138.2 -40.5 -13.6 -13.5 7 2 A E > - 0 0 142 -2,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.262 23.0-123.2 -57.2 144.4 -39.0 -16.8 -14.8 8 3 A R H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 113.2 49.8 -51.1 -48.9 -36.7 -18.7 -12.5 9 4 A A H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.869 109.5 51.5 -65.7 -35.3 -33.9 -18.6 -15.0 10 5 A S H > S+ 0 0 41 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.872 107.3 53.4 -67.7 -38.8 -34.3 -14.8 -15.4 11 6 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 111.5 45.7 -60.4 -44.6 -34.2 -14.3 -11.6 12 7 A I H X S+ 0 0 15 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.924 111.6 51.2 -65.5 -41.6 -30.9 -16.2 -11.5 13 8 A Q H X S+ 0 0 125 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.928 112.7 46.4 -58.4 -46.4 -29.5 -14.3 -14.4 14 9 A K H X S+ 0 0 86 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.861 106.0 58.8 -70.7 -31.0 -30.4 -11.0 -12.8 15 10 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.904 106.9 48.6 -60.2 -41.5 -29.0 -12.1 -9.4 16 11 A K H X S+ 0 0 78 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.894 111.6 48.6 -65.4 -40.1 -25.7 -12.5 -11.2 17 12 A L H X S+ 0 0 94 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.900 109.8 52.9 -61.5 -45.4 -26.0 -9.1 -12.8 18 13 A A H <>S+ 0 0 8 -4,-2.9 5,-2.8 1,-0.2 4,-0.4 0.898 106.9 52.6 -61.2 -38.6 -26.8 -7.6 -9.5 19 14 A E H ><5S+ 0 0 70 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.940 108.5 49.3 -60.9 -43.8 -23.7 -9.1 -8.0 20 15 A Q H 3<5S+ 0 0 150 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.867 113.7 47.3 -60.4 -38.4 -21.6 -7.6 -10.7 21 16 A A T 3<5S- 0 0 68 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.390 112.4-120.4 -80.9 -2.5 -23.2 -4.2 -10.0 22 17 A E T < 5 + 0 0 144 -3,-1.4 2,-0.9 -4,-0.4 -3,-0.2 0.824 67.0 142.4 54.1 41.7 -22.8 -4.6 -6.3 23 18 A R >< + 0 0 144 -5,-2.8 4,-2.3 1,-0.2 -1,-0.2 -0.700 16.8 165.2-106.0 72.9 -26.5 -4.3 -5.9 24 19 A Y H > + 0 0 59 -2,-0.9 4,-2.5 1,-0.2 32,-0.2 0.820 69.0 55.2 -74.8 -30.1 -26.9 -6.8 -3.0 25 20 A E H > S+ 0 0 154 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 112.4 45.3 -64.2 -42.4 -30.4 -6.0 -1.9 26 21 A D H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 111.4 53.6 -61.8 -44.3 -31.5 -6.5 -5.5 27 22 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.921 109.7 47.5 -53.6 -48.2 -29.5 -9.7 -5.6 28 23 A A H X S+ 0 0 5 -4,-2.5 4,-2.6 24,-0.2 -1,-0.2 0.918 110.5 51.4 -64.2 -40.9 -31.2 -11.0 -2.5 29 24 A A H X S+ 0 0 41 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.905 111.0 48.6 -63.6 -40.8 -34.6 -10.2 -3.8 30 25 A F H X S+ 0 0 33 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.914 112.8 47.6 -63.6 -44.0 -34.0 -12.0 -7.0 31 26 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.870 108.9 53.6 -69.1 -35.3 -32.7 -15.1 -5.1 32 27 A K H X S+ 0 0 66 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.936 109.2 50.5 -58.8 -45.7 -35.6 -15.1 -2.8 33 28 A G H X S+ 0 0 3 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.914 109.6 50.1 -57.2 -43.2 -37.8 -15.1 -5.8 34 29 A A H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 5,-0.4 0.930 110.4 49.4 -63.9 -45.0 -35.9 -18.0 -7.3 35 30 A V H >< S+ 0 0 8 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.912 104.2 59.7 -58.1 -44.3 -36.2 -20.0 -4.0 36 31 A E H 3< S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.622 83.3 80.1 -70.0 -5.2 -39.9 -19.3 -3.9 37 32 A K T << S- 0 0 72 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.725 104.0-126.6 -66.2 -20.9 -40.4 -21.1 -7.3 38 33 A G < + 0 0 63 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.329 67.0 121.8 96.8 -10.2 -40.2 -24.2 -5.2 39 255 A E - 0 0 134 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.581 69.2-100.1 -81.1 151.6 -37.5 -26.1 -7.0 40 256 A E - 0 0 119 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.229 41.1-114.8 -62.9 156.0 -34.3 -27.2 -5.2 41 257 A L - 0 0 9 71,-0.1 -1,-0.1 1,-0.0 2,-0.1 -0.835 18.4-129.5 -98.0 139.6 -31.2 -25.1 -5.7 42 258 A S > - 0 0 50 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.275 36.2 -97.4 -68.7 170.8 -28.0 -26.1 -7.4 43 259 A X H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.929 126.6 47.6 -57.8 -48.0 -24.6 -25.6 -5.8 44 260 A E H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 111.7 50.4 -61.9 -40.2 -24.1 -22.4 -7.8 45 261 A E H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 107.2 53.1 -68.1 -37.7 -27.5 -21.1 -6.9 46 262 A R H X S+ 0 0 26 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.908 108.4 52.1 -58.6 -43.6 -27.0 -21.8 -3.2 47 42 A N H X S+ 0 0 71 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.903 107.5 50.6 -62.8 -41.5 -23.8 -19.8 -3.3 48 43 A L H X S+ 0 0 11 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.901 110.1 50.5 -60.0 -43.1 -25.7 -16.9 -4.9 49 44 A L H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.932 113.0 46.7 -57.9 -47.0 -28.3 -17.0 -2.2 50 45 A S H X S+ 0 0 22 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.923 112.4 48.3 -61.9 -49.7 -25.6 -17.0 0.5 51 46 A V H X S+ 0 0 17 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.926 111.0 51.4 -60.7 -42.9 -23.6 -14.2 -1.1 52 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -24,-0.2 0.960 116.4 37.1 -60.6 -55.8 -26.6 -12.0 -1.5 53 48 A Y H X S+ 0 0 13 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.864 112.6 58.0 -71.1 -33.0 -27.9 -12.2 2.1 54 49 A K H X S+ 0 0 39 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.908 109.8 45.1 -62.7 -40.4 -24.4 -12.2 3.7 55 50 A N H X S+ 0 0 51 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.918 114.3 47.9 -70.4 -39.2 -23.7 -8.9 2.0 56 51 A V H X S+ 0 0 21 -4,-2.1 4,-1.7 -5,-0.2 3,-0.3 0.972 117.6 40.6 -62.6 -54.8 -27.1 -7.4 3.0 57 52 A V H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.829 109.9 60.8 -66.9 -31.7 -26.9 -8.6 6.6 58 53 A G H X S+ 0 0 24 -4,-1.9 4,-2.2 -5,-0.4 -1,-0.2 0.905 104.3 48.3 -65.2 -39.5 -23.2 -7.7 6.8 59 54 A G H X S+ 0 0 46 -4,-1.8 4,-2.1 -3,-0.3 -1,-0.2 0.899 112.9 48.8 -62.3 -40.1 -24.0 -4.0 6.0 60 55 A Q H X S+ 0 0 29 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.908 110.4 50.4 -65.4 -42.8 -26.7 -4.0 8.7 61 56 A R H X S+ 0 0 17 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.908 110.1 50.1 -61.5 -43.8 -24.4 -5.6 11.3 62 57 A A H X S+ 0 0 42 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.935 113.2 46.0 -63.1 -42.4 -21.7 -3.1 10.6 63 58 A A H X S+ 0 0 39 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.914 111.2 53.1 -66.7 -43.3 -24.2 -0.2 11.0 64 59 A W H X S+ 0 0 44 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.901 107.5 50.9 -57.1 -44.6 -25.7 -1.7 14.1 65 60 A R H X S+ 0 0 126 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.912 109.5 50.1 -66.2 -35.8 -22.3 -2.0 15.7 66 61 A V H X S+ 0 0 90 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.946 115.2 44.1 -63.2 -47.8 -21.6 1.7 15.0 67 62 A L H X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.892 111.6 52.2 -66.5 -42.6 -24.9 2.8 16.5 68 63 A S H X S+ 0 0 14 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.875 107.7 52.3 -59.9 -39.1 -24.6 0.5 19.5 69 64 A S H X S+ 0 0 75 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.935 110.9 47.1 -64.8 -40.9 -21.2 1.9 20.3 70 65 A I H X S+ 0 0 69 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.924 113.8 49.9 -65.5 -43.6 -22.6 5.5 20.1 71 66 A E H X S+ 0 0 16 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.939 109.4 48.7 -62.5 -45.0 -25.5 4.5 22.3 72 67 A Q H >< S+ 0 0 124 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.915 110.3 51.8 -72.7 -32.0 -23.4 2.8 24.9 73 68 A K H >< S+ 0 0 57 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.919 105.6 56.9 -62.7 -44.6 -21.1 5.9 25.1 74 69 A S H 3< S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.776 102.3 56.8 -52.4 -26.2 -24.3 8.0 25.6 75 70 A N T << S+ 0 0 115 -4,-1.1 -1,-0.3 -3,-0.6 2,-0.2 0.179 87.7 104.8 -98.2 15.9 -25.0 5.8 28.7 76 71 A E S X S- 0 0 126 -3,-1.8 3,-1.7 1,-0.1 2,-0.1 -0.602 84.6 -85.5 -88.2 157.6 -21.7 6.6 30.4 77 72 A E T 3 S+ 0 0 112 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.386 115.0 21.0 -59.6 128.8 -21.2 8.9 33.5 78 73 A G T 3 S+ 0 0 89 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.404 88.4 136.0 91.5 -1.3 -20.7 12.6 32.4 79 74 A S < - 0 0 49 -3,-1.7 -1,-0.3 -5,-0.1 2,-0.1 -0.644 58.1-119.7 -76.9 132.8 -22.4 12.1 29.0 80 75 A E - 0 0 166 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 -0.418 29.6-107.6 -70.9 142.6 -24.8 14.9 28.1 81 76 A E + 0 0 95 1,-0.1 -1,-0.1 -2,-0.1 -6,-0.0 -0.608 39.5 173.5 -70.2 128.8 -28.5 13.8 27.5 82 77 A K - 0 0 113 1,-0.4 3,-0.4 -2,-0.3 -1,-0.1 0.275 40.7-112.5-125.0 13.6 -29.3 13.9 23.9 83 78 A G - 0 0 51 1,-0.2 3,-0.5 2,-0.1 -1,-0.4 -0.322 47.8 -50.9 89.5-176.7 -32.8 12.4 23.8 84 79 A P S > S+ 0 0 55 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.455 101.6 98.2 -79.3 -5.6 -34.3 9.2 22.4 85 80 A E H > S+ 0 0 111 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.831 79.8 48.8 -65.2 -42.9 -32.8 9.6 18.9 86 81 A V H > S+ 0 0 32 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.949 116.0 44.5 -60.0 -49.7 -29.8 7.3 19.1 87 82 A R H > S+ 0 0 104 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.923 113.3 51.4 -59.0 -46.5 -31.8 4.5 20.7 88 83 A E H X S+ 0 0 97 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.918 112.7 44.4 -60.6 -44.3 -34.6 5.0 18.1 89 84 A Y H X S+ 0 0 125 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.914 112.3 51.6 -70.9 -42.1 -32.3 4.8 15.2 90 85 A R H X S+ 0 0 38 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.929 110.9 50.1 -53.2 -44.9 -30.4 1.8 16.6 91 86 A E H X S+ 0 0 73 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.862 107.7 53.3 -61.5 -40.1 -33.8 0.1 17.0 92 87 A K H X S+ 0 0 119 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.938 112.7 42.8 -61.6 -50.6 -34.7 0.9 13.5 93 88 A V H X S+ 0 0 10 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.916 114.2 52.6 -61.2 -44.3 -31.6 -0.7 12.1 94 89 A E H X S+ 0 0 27 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.902 107.9 50.2 -59.1 -44.8 -31.9 -3.6 14.5 95 90 A T H X S+ 0 0 88 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.896 110.8 49.5 -64.6 -37.2 -35.5 -4.3 13.4 96 91 A E H X S+ 0 0 94 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.906 111.1 49.5 -65.4 -44.5 -34.4 -4.3 9.7 97 92 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.921 110.3 50.6 -59.0 -47.1 -31.6 -6.7 10.5 98 93 A Q H X S+ 0 0 58 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.885 107.5 54.6 -59.5 -39.5 -33.9 -9.0 12.3 99 94 A G H X S+ 0 0 31 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.886 107.5 48.6 -60.9 -40.2 -36.3 -8.9 9.4 100 95 A V H X S+ 0 0 23 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.922 112.3 49.1 -66.0 -45.3 -33.6 -10.0 7.0 101 96 A C H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.926 111.2 49.8 -61.2 -42.3 -32.6 -12.8 9.3 102 97 A D H X S+ 0 0 96 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.875 108.1 54.0 -62.2 -36.6 -36.2 -13.8 9.6 103 98 A T H X S+ 0 0 53 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.928 111.8 44.1 -61.2 -50.7 -36.6 -13.8 5.8 104 99 A V H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.937 113.3 50.1 -64.5 -46.7 -33.6 -16.2 5.4 105 100 A L H X S+ 0 0 18 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.869 108.6 54.4 -59.5 -35.3 -34.7 -18.4 8.2 106 101 A G H X S+ 0 0 35 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.893 106.8 49.7 -65.8 -39.6 -38.2 -18.5 6.6 107 102 A L H <>S+ 0 0 11 -4,-1.9 5,-1.9 2,-0.2 -2,-0.2 0.901 111.1 50.5 -63.4 -41.5 -36.7 -19.7 3.2 108 103 A L H <>S+ 0 0 4 -4,-2.3 5,-2.4 1,-0.2 6,-0.4 0.889 115.8 41.6 -63.8 -41.2 -34.8 -22.4 5.0 109 104 A D H <5S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.2 2,-0.2 0.695 106.1 67.6 -78.1 -20.8 -37.9 -23.6 6.8 110 105 A S T <5S- 0 0 66 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.1 -0.680 132.1 -54.8-138.8 71.5 -40.2 -23.3 3.9 111 106 A H T >5S+ 0 0 110 -3,-0.4 4,-1.3 -2,-0.2 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13.8 157 152 A Q H X S+ 0 0 69 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.905 109.1 49.2 -65.4 -41.6 -24.4 -29.1 15.7 158 153 A E H X S+ 0 0 78 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.931 112.5 49.0 -61.2 -43.9 -26.7 -31.0 13.2 159 154 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.896 111.3 50.7 -60.2 -45.3 -24.6 -29.6 10.3 160 155 A M H X S+ 0 0 11 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.926 107.8 51.8 -59.7 -45.0 -21.4 -30.8 12.1 161 156 A D H X S+ 0 0 87 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.922 113.9 43.2 -62.3 -45.2 -22.6 -34.3 12.7 162 157 A I H X S+ 0 0 33 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.937 113.1 52.3 -63.9 -47.0 -23.6 -34.7 9.0 163 158 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.884 107.4 51.5 -62.6 -37.7 -20.3 -33.1 7.8 164 159 A K H < S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.836 116.9 40.1 -69.2 -32.2 -18.1 -35.4 9.9 165 160 A K H < S+ 0 0 122 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.826 127.8 28.1 -79.3 -33.4 -19.9 -38.5 8.6 166 161 A E H < S+ 0 0 126 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.527 110.4 57.1-113.5 -13.5 -20.3 -37.5 5.0 167 162 A M S < S- 0 0 9 -4,-2.0 -1,-0.0 -5,-0.3 0, 0.0 -0.933 77.5-110.1-123.9 149.4 -17.5 -35.1 3.9 168 163 A P > - 0 0 64 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.365 38.9-107.3 -70.7 158.9 -13.7 -35.2 3.9 169 164 A P T 3 S+ 0 0 32 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.657 118.1 53.8 -65.5 -17.2 -11.9 -33.0 6.4 170 165 A T T 3 S+ 0 0 4 35,-0.1 55,-0.1 36,-0.1 36,-0.1 0.451 73.7 126.9 -93.3 -2.8 -10.8 -30.6 3.6 171 166 A N <> - 0 0 31 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 -0.365 61.1-137.4 -57.9 128.7 -14.2 -30.1 2.2 172 167 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.803 102.1 52.1 -62.1 -32.6 -14.7 -26.3 2.0 173 168 A I H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.929 111.5 46.6 -65.0 -46.9 -18.3 -26.5 3.2 174 169 A R H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 113.7 49.9 -58.5 -44.8 -17.2 -28.5 6.2 175 170 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.917 110.9 47.4 -62.9 -44.0 -14.3 -26.1 6.9 176 171 A G H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 67,-0.3 0.848 110.6 53.0 -67.2 -35.7 -16.5 -23.0 6.7 177 172 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.935 110.5 46.7 -59.8 -50.2 -19.0 -24.6 9.0 178 173 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.905 111.2 52.7 -61.9 -42.0 -16.4 -25.4 11.5 179 174 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.959 113.5 43.1 -54.7 -51.9 -14.9 -21.8 11.2 180 175 A N H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.872 111.8 52.2 -68.9 -36.3 -18.3 -20.3 11.8 181 176 A F H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.898 108.5 52.8 -66.0 -37.3 -19.3 -22.6 14.7 182 177 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.909 108.0 50.7 -61.6 -42.1 -15.9 -21.7 16.3 183 178 A V H X>S+ 0 0 4 -4,-2.0 4,-3.3 2,-0.2 5,-0.5 0.912 108.0 53.4 -59.7 -45.6 -16.9 -18.0 16.0 184 179 A F H X>S+ 0 0 3 -4,-2.4 5,-2.3 1,-0.2 4,-2.1 0.942 109.5 48.0 -51.0 -50.7 -20.2 -18.9 17.6 185 180 A H H <5S+ 0 0 20 -4,-2.5 6,-3.0 3,-0.2 -1,-0.2 0.904 118.9 39.1 -58.2 -45.6 -18.4 -20.5 20.6 186 181 A Y H <5S+ 0 0 77 -4,-2.1 -2,-0.2 4,-0.2 -1,-0.2 0.911 128.4 27.0 -72.0 -47.0 -16.0 -17.5 21.0 187 182 A E H <5S+ 0 0 86 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.703 133.8 22.0 -94.9 -26.8 -18.3 -14.5 20.3 188 183 A I T < + 0 0 45 -6,-3.0 4,-2.2 -7,-0.2 3,-0.3 -0.556 20.5 158.9-129.8 62.7 -16.8 -20.6 25.2 192 187 A P H > S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.867 75.6 54.7 -61.7 -35.9 -13.4 -19.5 24.0 193 188 A E H > S+ 0 0 162 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.911 108.7 48.1 -64.1 -40.2 -11.8 -22.8 24.9 194 189 A E H > S+ 0 0 104 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.897 111.4 51.8 -64.2 -40.3 -14.3 -24.7 22.8 195 190 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.916 112.0 45.3 -59.6 -48.5 -13.7 -22.3 20.0 196 191 A I H X S+ 0 0 28 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.931 113.2 49.6 -64.5 -44.7 -10.0 -22.8 20.1 197 192 A S H X S+ 0 0 61 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.927 112.1 48.0 -62.2 -44.0 -10.2 -26.6 20.4 198 193 A L H X S+ 0 0 19 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.926 112.9 47.6 -62.8 -47.2 -12.6 -26.8 17.4 199 194 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 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