==== 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 21-AUG-09 3IQV . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.OTTMANN,M.WEYAND . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 77.7 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 . 17 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 88 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-148.7 -44.1 -12.2 -4.2 2 -3 A A T 3 + 0 0 101 1,-0.3 3,-0.4 2,-0.1 4,-0.0 0.685 360.0 53.6 -66.1 -20.2 -43.0 -9.3 -6.5 3 -2 A M T > S+ 0 0 39 1,-0.2 3,-1.9 2,-0.1 -1,-0.3 0.478 77.9 100.4 -92.1 3.4 -40.8 -11.9 -8.3 4 -1 A G T < S+ 0 0 47 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.704 80.7 50.0 -61.5 -28.1 -43.7 -14.4 -8.9 5 0 A S T 3 S+ 0 0 120 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.3 0.464 93.2 91.5 -89.7 -4.0 -44.1 -13.4 -12.5 6 1 A M S < S- 0 0 38 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.768 82.7-108.8 -95.9 136.6 -40.4 -13.7 -13.4 7 2 A E > - 0 0 142 -2,-0.4 4,-2.2 1,-0.1 3,-0.2 -0.272 23.2-123.1 -55.3 145.2 -38.9 -16.9 -14.8 8 3 A R H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.912 112.9 50.3 -54.0 -46.9 -36.6 -18.8 -12.5 9 4 A A H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 109.2 51.8 -64.6 -35.8 -33.7 -18.7 -15.0 10 5 A S H > S+ 0 0 40 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.870 107.4 52.2 -67.4 -39.2 -34.2 -15.0 -15.4 11 6 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.913 111.2 47.8 -60.4 -44.8 -34.0 -14.5 -11.6 12 7 A I H X S+ 0 0 11 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.933 111.9 49.3 -59.5 -48.0 -30.8 -16.4 -11.5 13 8 A Q H X S+ 0 0 125 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.913 112.5 47.4 -58.5 -46.9 -29.4 -14.5 -14.4 14 9 A K H X S+ 0 0 85 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.860 106.6 57.7 -68.2 -32.9 -30.3 -11.2 -12.8 15 10 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.895 107.2 49.2 -57.7 -41.8 -28.8 -12.3 -9.4 16 11 A K H X S+ 0 0 77 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.886 111.1 48.1 -66.8 -39.2 -25.5 -12.8 -11.2 17 12 A L H X S+ 0 0 94 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.918 110.5 52.4 -63.7 -42.1 -25.8 -9.3 -12.8 18 13 A A H <>S+ 0 0 8 -4,-2.8 5,-2.9 2,-0.2 4,-0.3 0.900 106.9 53.2 -60.1 -41.6 -26.6 -7.8 -9.4 19 14 A E H ><5S+ 0 0 80 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.942 108.5 49.4 -58.0 -46.0 -23.5 -9.5 -8.0 20 15 A Q H 3<5S+ 0 0 139 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.856 114.5 45.5 -61.8 -36.4 -21.3 -7.9 -10.7 21 16 A A T 3<5S- 0 0 64 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.358 110.9-121.8 -83.9 -3.4 -22.9 -4.6 -9.9 22 17 A E T < 5 + 0 0 142 -3,-1.5 2,-1.0 -4,-0.3 -3,-0.2 0.816 64.4 144.5 57.0 38.4 -22.5 -5.0 -6.1 23 18 A R >< + 0 0 146 -5,-2.9 4,-2.5 1,-0.2 -1,-0.2 -0.675 16.7 166.8-101.3 74.8 -26.3 -4.5 -5.8 24 19 A Y H > + 0 0 51 -2,-1.0 4,-2.5 1,-0.2 32,-0.2 0.827 68.1 54.8 -74.5 -31.0 -26.7 -7.0 -3.0 25 20 A E H > S+ 0 0 150 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.949 112.9 44.9 -64.8 -42.0 -30.2 -6.1 -1.9 26 21 A D H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.926 111.6 53.1 -64.0 -44.0 -31.4 -6.7 -5.5 27 22 A M H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.911 110.2 48.0 -53.0 -47.3 -29.3 -9.9 -5.6 28 23 A A H X S+ 0 0 5 -4,-2.5 4,-2.6 24,-0.2 -1,-0.2 0.915 110.6 50.6 -62.5 -44.0 -31.0 -11.1 -2.4 29 24 A A H X S+ 0 0 40 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.889 110.7 49.4 -64.3 -39.2 -34.5 -10.3 -3.7 30 25 A F H X S+ 0 0 32 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.928 113.0 46.6 -63.7 -44.2 -33.8 -12.1 -7.0 31 26 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.873 108.5 54.7 -71.0 -31.3 -32.6 -15.2 -5.1 32 27 A K H X S+ 0 0 65 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.941 109.3 49.8 -59.5 -46.4 -35.5 -15.1 -2.7 33 28 A G H X S+ 0 0 3 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.909 110.0 49.7 -57.2 -43.9 -37.7 -15.2 -5.8 34 29 A A H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 5,-0.4 0.929 110.4 49.7 -63.6 -46.0 -35.8 -18.1 -7.2 35 30 A V H >< S+ 0 0 8 -4,-2.7 3,-2.2 1,-0.3 -1,-0.2 0.916 104.2 60.3 -55.9 -44.4 -36.1 -20.0 -3.9 36 31 A E H 3< S+ 0 0 89 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.602 82.9 79.8 -68.2 -9.5 -39.8 -19.3 -3.9 37 32 A K T << S- 0 0 71 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.704 103.7-126.4 -65.1 -21.6 -40.2 -21.2 -7.2 38 33 A G < + 0 0 44 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.354 68.3 120.5 97.6 -10.5 -40.1 -24.3 -5.1 39 34 A E S S- 0 0 128 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.599 70.5 -99.9 -84.3 151.0 -37.3 -26.2 -6.9 40 35 A E - 0 0 109 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.213 40.2-116.5 -61.9 158.0 -34.1 -27.2 -5.1 41 36 A L - 0 0 9 71,-0.1 -1,-0.1 1,-0.0 2,-0.1 -0.820 20.4-127.9 -98.1 142.5 -31.0 -24.9 -5.7 42 37 A S > - 0 0 52 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.298 35.5 -95.8 -72.3 172.3 -27.9 -26.1 -7.4 43 38 A X H > S+ 0 0 96 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.913 127.0 46.4 -56.0 -50.1 -24.4 -25.6 -5.8 44 39 A E H > S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.878 111.7 52.3 -62.5 -42.1 -23.8 -22.4 -7.7 45 40 A E H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.879 105.1 54.9 -63.0 -39.5 -27.3 -21.1 -6.9 46 41 A R H X S+ 0 0 27 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.903 106.1 52.7 -57.9 -43.1 -26.8 -21.8 -3.2 47 42 A N H X S+ 0 0 70 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.891 107.2 51.6 -62.0 -40.5 -23.6 -19.6 -3.3 48 43 A L H X S+ 0 0 20 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.913 111.1 48.3 -61.6 -44.8 -25.6 -16.8 -4.9 49 44 A L H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.927 114.3 45.2 -57.4 -49.7 -28.2 -17.0 -2.1 50 45 A S H X S+ 0 0 28 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.907 113.3 48.2 -66.1 -42.2 -25.7 -17.0 0.6 51 46 A V H X S+ 0 0 52 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.908 109.8 53.9 -66.3 -40.8 -23.5 -14.2 -0.7 52 47 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 -24,-0.2 0.966 115.6 36.6 -58.7 -56.6 -26.4 -11.9 -1.3 53 48 A Y H X S+ 0 0 12 -4,-1.9 4,-2.8 1,-0.2 5,-0.4 0.867 111.9 59.8 -69.0 -34.5 -27.8 -12.2 2.2 54 49 A K H X S+ 0 0 62 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.911 110.4 43.5 -57.4 -43.3 -24.3 -12.2 3.8 55 50 A N H X S+ 0 0 66 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.906 113.9 49.1 -71.6 -43.0 -23.6 -8.9 2.2 56 51 A V H X S+ 0 0 23 -4,-2.2 4,-1.7 -5,-0.2 3,-0.2 0.975 118.3 38.7 -58.1 -55.4 -27.0 -7.3 3.0 57 52 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.832 111.0 60.9 -67.5 -33.3 -26.9 -8.4 6.7 58 53 A G H X S+ 0 0 24 -4,-1.9 4,-2.1 -5,-0.4 -1,-0.2 0.913 105.2 47.4 -61.8 -40.2 -23.2 -7.6 6.9 59 54 A G H X S+ 0 0 44 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.881 113.0 48.7 -62.3 -43.7 -23.9 -4.0 6.1 60 55 A Q H X S+ 0 0 29 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.913 110.8 50.3 -62.6 -42.9 -26.7 -3.9 8.6 61 56 A R H X S+ 0 0 5 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.896 109.4 50.8 -61.9 -44.8 -24.5 -5.4 11.3 62 57 A A H X S+ 0 0 43 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.926 113.3 45.6 -62.2 -42.9 -21.7 -3.0 10.7 63 58 A A H X S+ 0 0 40 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.916 111.1 53.2 -64.4 -44.0 -24.2 -0.0 10.9 64 59 A W H X S+ 0 0 37 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.902 107.0 51.5 -57.7 -42.3 -25.7 -1.5 14.0 65 60 A R H X S+ 0 0 71 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.893 109.2 50.1 -65.5 -39.9 -22.3 -1.8 15.7 66 61 A V H X S+ 0 0 90 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.945 115.7 43.4 -59.8 -48.3 -21.5 1.9 14.9 67 62 A L H X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.898 112.2 51.7 -67.4 -41.6 -24.9 3.0 16.4 68 63 A S H X S+ 0 0 22 -4,-3.1 4,-2.7 -5,-0.2 -1,-0.2 0.885 108.5 52.7 -63.3 -37.6 -24.7 0.7 19.4 69 64 A S H X S+ 0 0 77 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.929 110.1 47.2 -64.0 -42.9 -21.2 2.1 20.2 70 65 A I H X S+ 0 0 85 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.925 113.0 50.3 -62.3 -41.7 -22.5 5.7 20.1 71 66 A E H X S+ 0 0 16 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.915 109.4 49.9 -62.7 -46.4 -25.4 4.6 22.3 72 67 A Q H >< S+ 0 0 115 -4,-2.7 3,-1.2 1,-0.2 4,-0.4 0.922 109.2 51.5 -64.4 -41.0 -23.2 2.9 24.9 73 68 A K H >< S+ 0 0 65 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.900 104.2 59.3 -62.0 -32.4 -21.0 6.0 25.0 74 69 A S H 3< S+ 0 0 46 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.746 101.9 54.3 -68.2 -17.3 -24.2 8.1 25.7 75 70 A N T << S+ 0 0 112 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.453 87.7 107.9 -99.8 2.2 -24.8 6.0 28.7 76 71 A E S X S- 0 0 125 -3,-1.5 3,-2.0 -4,-0.4 2,-0.1 -0.340 84.4 -83.9 -78.4 155.7 -21.4 6.7 30.3 77 72 A E T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.347 116.1 18.8 -58.1 126.5 -20.7 9.0 33.4 78 73 A G T 3 S+ 0 0 87 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.392 88.5 135.3 93.1 -1.4 -20.5 12.6 32.3 79 74 A S < - 0 0 48 -3,-2.0 -1,-0.3 -6,-0.1 2,-0.1 -0.606 58.0-115.7 -81.3 132.5 -22.2 12.2 28.8 80 75 A E - 0 0 143 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.438 29.3-109.4 -65.4 138.2 -24.7 14.9 28.0 81 76 A E + 0 0 154 1,-0.1 -1,-0.1 -2,-0.1 -6,-0.1 -0.541 38.5 175.1 -64.3 129.2 -28.3 13.8 27.6 82 77 A K - 0 0 152 1,-0.4 3,-0.5 -2,-0.3 -1,-0.1 0.263 39.4-112.8-124.8 10.7 -29.2 14.0 23.9 83 78 A G - 0 0 35 1,-0.2 3,-0.5 2,-0.1 -1,-0.4 -0.333 49.2 -50.4 91.5-174.3 -32.7 12.5 23.8 84 79 A P S > S+ 0 0 56 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.492 101.5 98.1 -83.0 -2.0 -34.2 9.4 22.3 85 80 A E H > S+ 0 0 111 -3,-0.5 4,-2.5 1,-0.2 5,-0.2 0.823 79.7 48.5 -65.5 -44.8 -32.7 9.7 18.9 86 81 A V H > S+ 0 0 47 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.954 116.1 45.2 -59.8 -48.3 -29.7 7.4 19.1 87 82 A R H > S+ 0 0 102 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.920 113.2 51.4 -57.9 -47.9 -31.7 4.6 20.6 88 83 A E H X S+ 0 0 95 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.922 112.5 44.3 -56.6 -45.8 -34.5 5.2 18.1 89 84 A Y H X S+ 0 0 125 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.922 112.5 51.5 -69.7 -41.8 -32.2 5.0 15.1 90 85 A R H X S+ 0 0 36 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.920 111.0 50.0 -55.8 -44.9 -30.3 1.9 16.5 91 86 A E H X S+ 0 0 71 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.869 107.6 53.2 -61.5 -39.4 -33.7 0.3 17.0 92 87 A K H X S+ 0 0 121 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.939 113.0 43.2 -61.6 -49.6 -34.7 1.1 13.4 93 88 A V H X S+ 0 0 11 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.921 114.1 52.5 -61.1 -43.9 -31.5 -0.5 12.0 94 89 A E H X S+ 0 0 26 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.900 108.3 49.2 -57.2 -45.3 -32.0 -3.4 14.4 95 90 A T H X S+ 0 0 88 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.886 111.0 49.7 -65.3 -38.3 -35.5 -4.1 13.4 96 91 A E H X S+ 0 0 97 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.916 111.6 49.7 -65.3 -42.2 -34.5 -4.0 9.7 97 92 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.921 110.1 50.2 -58.2 -49.3 -31.7 -6.5 10.4 98 93 A Q H X S+ 0 0 59 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.883 107.6 54.9 -58.0 -39.6 -34.0 -8.8 12.3 99 94 A G H X S+ 0 0 32 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.898 107.4 48.3 -60.2 -42.4 -36.4 -8.7 9.4 100 95 A V H X S+ 0 0 26 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.937 112.2 49.9 -65.1 -45.4 -33.7 -9.8 7.0 101 96 A C H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.922 110.3 49.9 -59.5 -43.9 -32.7 -12.6 9.3 102 97 A D H X S+ 0 0 97 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.880 109.0 53.0 -62.5 -35.0 -36.3 -13.7 9.7 103 98 A T H X S+ 0 0 53 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.939 111.8 44.6 -62.6 -49.4 -36.7 -13.7 5.9 104 99 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.940 113.1 50.2 -62.8 -48.5 -33.6 -15.9 5.4 105 100 A L H X S+ 0 0 19 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.885 108.7 54.4 -57.2 -37.2 -34.7 -18.3 8.2 106 101 A G H X S+ 0 0 34 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.905 106.7 49.5 -65.0 -39.2 -38.1 -18.4 6.6 107 102 A L H <>S+ 0 0 9 -4,-1.9 5,-1.9 2,-0.2 -2,-0.2 0.910 111.7 50.2 -64.4 -42.0 -36.7 -19.5 3.3 108 103 A L H <>S+ 0 0 3 -4,-2.4 5,-2.6 1,-0.2 6,-0.5 0.899 116.1 41.1 -62.5 -41.1 -34.6 -22.2 5.1 109 104 A D H <5S+ 0 0 98 -4,-2.2 2,-0.2 1,-0.2 -1,-0.2 0.686 105.8 68.6 -81.1 -18.7 -37.7 -23.4 6.9 110 105 A S T <5S- 0 0 64 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.685 132.1 -55.0-139.9 75.3 -40.1 -23.2 3.8 111 106 A H T >5S+ 0 0 96 -3,-0.3 4,-1.3 -2,-0.2 -3,-0.2 -0.757 110.9 96.1-144.6 35.2 -38.7 -25.4 2.4 112 107 A L H >4 S- 0 0 121 1,-0.1 4,-2.8 4,-0.0 3,-0.3 -0.587 82.8-124.3 -75.8 146.8 -27.3 -34.4 -0.1 119 114 A A H > S+ 0 0 16 1,-0.2 4,-2.8 -2,-0.2 5,-0.4 0.875 107.9 58.4 -61.2 -35.0 -24.7 -33.6 2.6 120 115 A E H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 113.8 37.0 -56.9 -50.5 -23.4 -30.5 0.6 121 116 A S H > S+ 0 0 10 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.910 117.5 49.3 -72.2 -47.6 -26.8 -28.9 0.5 122 117 A R H X S+ 0 0 63 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.928 113.7 45.2 -61.0 -45.3 -28.0 -29.9 4.0 123 118 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.906 111.4 54.5 -63.4 -42.9 -24.9 -28.8 5.7 124 119 A F H X S+ 0 0 19 -4,-1.7 4,-2.2 -5,-0.4 -2,-0.2 0.942 112.0 42.7 -55.1 -50.0 -24.9 -25.5 3.7 125 120 A Y H X S+ 0 0 6 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.880 113.2 51.2 -70.7 -36.4 -28.4 -24.6 4.7 126 121 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.880 108.3 53.0 -67.0 -37.1 -27.9 -25.6 8.4 127 122 A K H X S+ 0 0 24 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.936 109.3 49.6 -58.4 -47.6 -24.8 -23.5 8.5 128 123 A M H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.910 108.2 53.2 -57.3 -44.7 -26.9 -20.6 7.2 129 124 A K H X S+ 0 0 64 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.937 110.9 46.6 -58.6 -44.9 -29.5 -21.3 9.8 130 125 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 111.6 52.2 -59.8 -44.4 -26.8 -21.1 12.5 131 126 A D H X S+ 0 0 7 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.911 111.0 45.3 -58.0 -49.3 -25.4 -17.9 11.0 132 127 A Y H X S+ 0 0 4 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.865 113.3 49.0 -74.0 -33.0 -28.8 -16.0 10.9 133 128 A Y H X S+ 0 0 58 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.887 109.5 55.2 -64.2 -37.1 -29.7 -17.1 14.4 134 129 A R H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.923 106.7 49.2 -57.6 -44.5 -26.2 -15.9 15.4 135 130 A Y H X S+ 0 0 2 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.904 109.8 51.1 -64.8 -36.8 -26.9 -12.5 13.9 136 131 A L H >X S+ 0 0 15 -4,-2.0 3,-0.8 1,-0.2 4,-0.7 0.896 109.1 53.1 -60.7 -40.3 -30.2 -12.4 15.8 137 132 A A H >< S+ 0 0 4 -4,-2.3 3,-0.6 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Q H X S+ 0 0 69 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.908 109.2 49.0 -63.4 -44.6 -24.3 -28.8 15.8 158 153 A E H X S+ 0 0 78 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.931 112.5 48.8 -59.8 -43.0 -26.5 -30.7 13.3 159 154 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.896 110.8 51.5 -62.9 -40.8 -24.5 -29.4 10.4 160 155 A M H X S+ 0 0 10 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.924 108.0 51.2 -60.4 -44.6 -21.3 -30.4 12.2 161 156 A D H X S+ 0 0 85 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.926 114.0 43.2 -64.0 -42.4 -22.5 -33.9 12.8 162 157 A I H X S+ 0 0 33 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.931 112.9 52.8 -63.6 -47.6 -23.4 -34.4 9.2 163 158 A S H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.880 108.4 50.5 -60.6 -38.6 -20.2 -32.8 7.9 164 159 A K H < S+ 0 0 120 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.823 116.8 40.2 -70.9 -32.2 -18.0 -35.0 10.0 165 160 A K H < S+ 0 0 124 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.831 128.6 26.8 -79.4 -33.6 -19.8 -38.1 8.8 166 161 A E H < S+ 0 0 125 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.501 109.7 58.4-115.7 -13.8 -20.2 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112.0 48.6 -63.3 -47.7 -12.5 -26.3 17.4 199 194 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.927 114.3 47.0 -60.3 -41.9 -10.5 -24.0 15.2 200 195 A K H X S+ 0 0 102 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.944 113.7 45.1 -65.6 -48.8 -7.2 -25.9 16.0 201 196 A T H X S+ 0 0 64 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.921 113.7 50.6 -66.5 -38.3 -8.6 -29.3 15.5 202 197 A T H X S+ 0 0 16 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.931 112.6 47.0 -61.0 -48.3 -10.3 -28.3 12.2 203 198 A F H X S+ 0 0 27 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.944 113.7 47.0 -58.0 -49.2 -7.1 -26.7 10.9 204 199 A D H X S+ 0 0 96 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.886 111.2 50.0 -64.7 -39.5 -5.0 -29.7 11.8 205 200 A E H < S+ 0 0 89 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.866 112.0 48.8 -65.8 -38.9 -7.4 -32.3 10.3 206 201 A A H >X S+ 0 0 0 -4,-2.0 3,-1.5 -5,-0.3 4,-0.9 0.929 107.2 54.9 -67.3 -44.6 -7.6 -30.3 7.1 207 202 A M H >< S+ 0 0 93 -4,-2.7 3,-0.9 1,-0.3 4,-0.3 0.907 105.1 54.4 -55.5 -40.3 -3.8 -30.0 6.9 208 203 A A T 3< S+ 0 0 73 -4,-1.8 -1,-0.3 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