==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 28-JUN-11 3SMN . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ANDERS,B.SCHUMACHER,C.OTTMANN . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13264.0 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 . 163 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 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 82 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-135.3 44.2 -13.1 4.4 2 -3 A A T 3 + 0 0 103 1,-0.2 3,-0.2 2,-0.1 27,-0.0 0.712 360.0 42.6 -59.0 -24.6 42.8 -9.8 5.8 3 -2 A M T > S+ 0 0 42 1,-0.2 3,-1.3 26,-0.1 -1,-0.2 0.157 82.2 114.0-111.7 13.9 40.8 -12.0 8.2 4 -1 A G T < S+ 0 0 42 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.773 75.9 47.9 -57.1 -34.1 43.7 -14.3 8.9 5 0 A S T 3 S+ 0 0 129 -3,-0.2 2,-0.4 -4,-0.2 -1,-0.3 0.474 93.7 92.2 -91.1 -4.3 44.0 -13.3 12.6 6 1 A M S < S- 0 0 38 -3,-1.3 5,-0.1 1,-0.1 -3,-0.0 -0.776 83.2-108.7 -92.8 136.1 40.3 -13.6 13.5 7 2 A E > - 0 0 142 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.242 23.5-123.5 -54.4 141.7 38.8 -16.8 14.8 8 3 A R H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.911 113.3 49.6 -51.4 -47.3 36.6 -18.8 12.4 9 4 A A H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 109.8 51.7 -64.0 -36.6 33.7 -18.7 14.9 10 5 A S H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.899 107.2 53.0 -65.6 -41.4 34.1 -14.9 15.4 11 6 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.896 111.6 46.2 -56.3 -44.2 34.0 -14.4 11.6 12 7 A I H X S+ 0 0 14 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.907 111.5 50.4 -65.7 -45.0 30.7 -16.3 11.5 13 8 A Q H X S+ 0 0 126 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.931 113.3 47.3 -58.7 -44.3 29.3 -14.4 14.4 14 9 A K H X S+ 0 0 89 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.869 105.8 57.4 -67.9 -33.8 30.3 -11.1 12.7 15 10 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.922 108.1 48.6 -61.9 -43.8 28.8 -12.2 9.4 16 11 A K H X S+ 0 0 77 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.881 111.9 48.3 -63.4 -41.4 25.4 -12.6 11.2 17 12 A L H X S+ 0 0 101 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.907 110.4 51.1 -61.2 -44.6 25.7 -9.2 12.8 18 13 A A H <>S+ 0 0 7 -4,-2.9 5,-3.5 1,-0.2 4,-0.2 0.883 108.0 53.8 -64.2 -38.2 26.6 -7.6 9.4 19 14 A E H ><5S+ 0 0 72 -4,-2.3 3,-1.6 -5,-0.2 -1,-0.2 0.957 109.0 47.6 -58.8 -47.2 23.5 -9.3 7.9 20 15 A Q H 3<5S+ 0 0 149 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.894 114.4 46.9 -61.9 -33.7 21.3 -7.7 10.6 21 16 A A T 3<5S- 0 0 65 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.375 113.3-122.4 -86.2 2.4 23.0 -4.3 10.0 22 17 A E T < 5 + 0 0 144 -3,-1.6 2,-0.9 -4,-0.2 -3,-0.2 0.881 64.9 144.1 52.1 43.7 22.5 -4.8 6.2 23 18 A R >< + 0 0 151 -5,-3.5 4,-2.6 1,-0.2 -1,-0.2 -0.685 16.4 166.5-109.0 77.4 26.2 -4.4 5.8 24 19 A Y H > + 0 0 55 -2,-0.9 4,-2.5 1,-0.2 32,-0.2 0.809 69.6 56.1 -74.3 -29.3 26.6 -7.0 3.0 25 20 A E H > S+ 0 0 154 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.943 113.4 43.4 -61.8 -46.4 30.1 -6.0 1.9 26 21 A D H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.916 112.3 53.7 -59.8 -46.0 31.3 -6.6 5.5 27 22 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.909 110.8 46.7 -54.9 -47.2 29.2 -9.8 5.6 28 23 A A H X S+ 0 0 5 -4,-2.5 4,-2.4 24,-0.2 -1,-0.2 0.891 110.5 50.8 -65.8 -40.5 30.9 -11.1 2.5 29 24 A A H X S+ 0 0 40 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.895 111.0 49.4 -65.9 -39.1 34.4 -10.2 3.7 30 25 A F H X S+ 0 0 33 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.909 112.9 47.3 -65.1 -43.8 33.8 -12.1 7.0 31 26 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.871 108.7 53.0 -64.5 -36.7 32.5 -15.1 5.1 32 27 A K H X S+ 0 0 66 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.937 110.1 50.2 -62.3 -47.1 35.4 -15.1 2.7 33 28 A G H < S+ 0 0 3 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.910 110.4 49.8 -54.7 -45.5 37.7 -15.1 5.8 34 29 A A H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 5,-0.4 0.919 110.5 48.8 -60.6 -46.4 35.7 -18.0 7.2 35 30 A V H >< S+ 0 0 8 -4,-2.7 3,-2.2 1,-0.2 -2,-0.2 0.919 104.9 59.4 -56.7 -44.2 36.0 -20.0 4.0 36 31 A E T 3< S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.601 82.6 82.4 -67.1 -8.3 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 0.709 103.3-127.5 -65.4 -17.1 40.1 -21.1 7.3 38 33 A G < + 0 0 69 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.271 68.4 119.3 93.0 -13.7 40.2 -24.2 5.2 39 34 A E S S- 0 0 134 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.527 71.5 -98.9 -84.4 155.1 37.4 -26.2 6.9 40 35 A E - 0 0 113 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.267 40.9-115.1 -63.1 157.8 34.1 -27.2 5.2 41 36 A L - 0 0 9 71,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.787 21.0-129.0 -96.2 145.3 31.1 -25.0 5.7 42 37 A S > - 0 0 51 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.277 36.3 -95.1 -74.4 170.9 27.9 -26.2 7.5 43 38 A N H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.932 127.1 47.6 -50.8 -54.2 24.5 -25.7 5.9 44 39 A E H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 112.1 50.2 -54.3 -46.0 23.9 -22.4 7.8 45 40 A E H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.859 108.0 52.1 -66.1 -36.6 27.4 -21.1 6.8 46 41 A R H X S+ 0 0 23 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.927 109.2 51.2 -62.2 -41.4 26.8 -21.9 3.1 47 42 A N H X S+ 0 0 64 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.906 110.5 48.8 -62.9 -40.9 23.6 -20.0 3.3 48 43 A L H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.913 110.8 50.2 -62.6 -44.2 25.4 -17.0 4.9 49 44 A L H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 5,-0.3 0.937 113.1 46.2 -58.0 -47.7 28.2 -17.1 2.2 50 45 A S H X S+ 0 0 29 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.921 112.9 48.3 -65.3 -45.4 25.6 -17.1 -0.6 51 46 A V H X S+ 0 0 45 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.913 109.8 54.3 -60.2 -42.2 23.4 -14.3 0.9 52 47 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.3 0.979 116.3 34.8 -60.3 -61.3 26.5 -12.1 1.5 53 48 A Y H X S+ 0 0 13 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.850 112.6 58.3 -64.7 -35.0 27.7 -12.2 -2.1 54 49 A K H X S+ 0 0 34 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.872 110.3 45.9 -63.0 -40.5 24.3 -12.3 -3.8 55 50 A N H X S+ 0 0 69 -4,-2.1 4,-2.2 -3,-0.3 -2,-0.2 0.911 114.3 47.1 -65.2 -47.4 23.5 -9.0 -2.1 56 51 A V H X S+ 0 0 20 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.970 118.1 40.1 -59.1 -54.3 26.8 -7.4 -3.0 57 52 A V H X S+ 0 0 1 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.806 110.2 60.6 -67.2 -27.5 26.8 -8.5 -6.6 58 53 A G H X S+ 0 0 25 -4,-1.3 4,-2.1 -5,-0.3 -1,-0.2 0.927 105.8 46.6 -68.1 -42.7 23.1 -7.7 -6.9 59 54 A G H X S+ 0 0 48 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.887 114.1 48.8 -59.3 -41.8 23.7 -4.0 -6.0 60 55 A Q H X S+ 0 0 31 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.894 111.3 49.6 -66.9 -40.3 26.6 -3.9 -8.5 61 56 A R H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.920 109.6 50.0 -65.3 -43.4 24.4 -5.5 -11.2 62 57 A A H X S+ 0 0 43 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.913 113.5 47.9 -60.2 -41.5 21.5 -3.1 -10.7 63 58 A A H X S+ 0 0 40 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.909 109.4 52.1 -65.6 -47.7 24.1 -0.2 -10.9 64 59 A W H X S+ 0 0 38 -4,-2.7 4,-3.7 2,-0.2 5,-0.2 0.891 109.0 50.7 -54.6 -44.5 25.6 -1.6 -14.1 65 60 A R H X S+ 0 0 81 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.920 109.5 50.3 -63.6 -42.9 22.2 -1.8 -15.8 66 61 A V H X S+ 0 0 91 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.961 117.1 41.3 -56.6 -51.1 21.4 1.8 -14.9 67 62 A L H X S+ 0 0 24 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.895 112.4 53.1 -68.8 -39.3 24.7 2.9 -16.4 68 63 A S H X S+ 0 0 19 -4,-3.7 4,-2.5 2,-0.2 -1,-0.2 0.889 109.3 50.3 -60.4 -39.5 24.5 0.6 -19.4 69 64 A S H X S+ 0 0 51 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.893 111.1 48.6 -67.3 -40.2 21.1 2.0 -20.3 70 65 A I H X S+ 0 0 68 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.938 111.4 50.8 -61.9 -42.7 22.4 5.5 -20.0 71 66 A E H X S+ 0 0 14 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.907 109.6 49.4 -64.3 -44.7 25.3 4.6 -22.2 72 67 A Q H >< S+ 0 0 99 -4,-2.5 3,-1.7 1,-0.2 4,-0.4 0.961 108.3 52.9 -62.1 -49.0 23.1 3.0 -24.9 73 68 A K H >< S+ 0 0 115 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.904 107.0 53.3 -51.5 -41.7 20.8 6.1 -25.0 74 69 A S H 3< S+ 0 0 28 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.658 105.4 55.1 -68.3 -17.7 24.0 8.3 -25.5 75 70 A N T << S+ 0 0 112 -3,-1.7 -1,-0.3 -4,-0.7 -2,-0.2 0.384 87.6 106.3 -94.3 1.5 24.9 6.1 -28.5 76 71 A E S X S- 0 0 125 -3,-1.7 3,-2.0 -4,-0.4 -3,-0.0 -0.552 86.3 -88.0 -81.5 147.5 21.5 6.6 -30.2 77 72 A E T 3 S+ 0 0 110 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.279 114.1 20.9 -53.0 129.2 21.2 8.9 -33.3 78 73 A G T 3 S+ 0 0 87 1,-0.4 -1,-0.2 -4,-0.1 2,-0.2 0.250 88.3 130.4 93.1 -12.2 20.6 12.5 -32.3 79 74 A S < - 0 0 52 -3,-2.0 -1,-0.4 -6,-0.2 2,-0.2 -0.536 64.6-111.4 -70.0 136.9 22.0 12.2 -28.7 80 75 A E - 0 0 161 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.495 35.2 -99.0 -72.2 141.3 24.5 14.9 -27.9 81 76 A E + 0 0 148 -2,-0.2 -1,-0.1 1,-0.2 -6,-0.1 -0.476 41.1 178.6 -61.9 112.0 28.2 13.8 -27.5 82 77 A K - 0 0 115 -2,-0.5 3,-0.4 1,-0.3 -1,-0.2 0.523 36.6-127.2 -93.8 -8.5 28.7 13.6 -23.7 83 78 A G - 0 0 31 1,-0.2 3,-0.5 2,-0.1 4,-0.3 -0.413 45.8 -47.1 84.0-166.0 32.3 12.4 -24.0 84 79 A P S > S+ 0 0 53 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.496 103.5 96.5 -86.4 -3.5 33.9 9.3 -22.3 85 80 A E H > S+ 0 0 115 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.833 82.6 48.0 -62.2 -44.1 32.5 9.6 -18.8 86 81 A V H > S+ 0 0 28 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.946 116.0 44.7 -66.5 -45.1 29.5 7.3 -19.0 87 82 A R H > S+ 0 0 104 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.933 114.0 51.0 -59.2 -47.0 31.6 4.6 -20.6 88 83 A E H X S+ 0 0 98 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.936 113.7 43.0 -56.6 -45.9 34.4 5.1 -18.1 89 84 A Y H X S+ 0 0 122 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.891 112.3 51.8 -73.3 -39.6 32.1 4.9 -15.1 90 85 A R H X S+ 0 0 35 -4,-2.6 4,-3.1 -5,-0.2 -1,-0.2 0.914 111.5 49.9 -56.4 -43.2 30.2 1.9 -16.5 91 86 A E H X S+ 0 0 74 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.849 108.8 52.0 -62.8 -36.9 33.6 0.2 -17.0 92 87 A K H X S+ 0 0 122 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.933 113.4 42.8 -64.0 -50.1 34.6 1.0 -13.4 93 88 A V H X S+ 0 0 14 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.950 114.7 52.3 -64.7 -42.2 31.4 -0.5 -12.0 94 89 A E H X S+ 0 0 25 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.881 107.7 50.5 -59.4 -41.7 31.8 -3.5 -14.4 95 90 A T H X S+ 0 0 89 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.887 110.9 48.4 -65.6 -39.5 35.4 -4.1 -13.4 96 91 A E H X S+ 0 0 111 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.898 111.3 50.6 -69.0 -41.1 34.4 -4.2 -9.7 97 92 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.923 110.1 50.6 -58.9 -46.0 31.5 -6.5 -10.4 98 93 A Q H X S+ 0 0 58 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.878 107.3 53.7 -61.4 -36.0 33.9 -8.8 -12.3 99 94 A G H X S+ 0 0 30 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.896 107.6 50.2 -67.6 -39.2 36.3 -8.8 -9.4 100 95 A V H X S+ 0 0 25 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.955 112.1 47.7 -58.6 -50.9 33.5 -9.9 -7.0 101 96 A C H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.927 112.4 49.6 -54.3 -48.5 32.5 -12.7 -9.4 102 97 A D H X S+ 0 0 94 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.850 109.0 52.7 -62.8 -34.8 36.2 -13.8 -9.7 103 98 A T H X S+ 0 0 53 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.922 111.9 44.4 -64.5 -45.9 36.6 -13.7 -5.9 104 99 A V H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.937 114.0 49.6 -64.4 -45.5 33.5 -16.1 -5.4 105 100 A L H X S+ 0 0 17 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.880 109.0 54.8 -61.3 -38.2 34.6 -18.4 -8.2 106 101 A G H X S+ 0 0 34 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.855 108.0 47.6 -55.4 -45.1 38.1 -18.4 -6.6 107 102 A L H <>S+ 0 0 10 -4,-1.8 5,-1.8 2,-0.2 -2,-0.2 0.922 112.3 49.5 -67.6 -43.2 36.6 -19.5 -3.3 108 103 A L H <>S+ 0 0 2 -4,-2.5 5,-2.6 1,-0.2 6,-0.4 0.890 116.4 41.8 -62.8 -40.1 34.6 -22.2 -5.0 109 104 A D H <5S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.694 107.0 68.5 -79.1 -22.2 37.6 -23.5 -6.9 110 105 A S T <5S- 0 0 61 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.625 131.4 -53.5-134.9 78.7 40.0 -23.2 -3.8 111 106 A H T >5S+ 0 0 110 -3,-0.4 4,-1.4 -2,-0.2 -3,-0.2 -0.761 112.2 92.8-147.8 32.4 38.7 -25.4 -2.3 112 107 A L H >4 S- 0 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0 0 6 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.928 109.2 53.8 -60.0 -43.2 26.8 -20.6 -7.1 129 124 A K H X S+ 0 0 61 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.944 111.1 44.6 -58.2 -48.7 29.4 -21.4 -9.7 130 125 A G H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.897 112.5 53.3 -61.1 -41.0 26.8 -21.2 -12.5 131 126 A D H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.927 110.6 44.8 -59.0 -47.3 25.4 -17.9 -11.0 132 127 A Y H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.863 114.3 48.6 -74.9 -34.0 28.7 -16.1 -10.9 133 128 A Y H X S+ 0 0 58 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.886 109.7 54.6 -65.6 -38.5 29.7 -17.2 -14.4 134 129 A R H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.884 106.7 49.9 -61.6 -37.3 26.2 -16.0 -15.4 135 130 A Y H X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.877 110.3 50.9 -68.5 -35.4 26.9 -12.6 -13.9 136 131 A L H >X S+ 0 0 14 -4,-1.8 4,-1.0 1,-0.2 3,-1.0 0.917 108.4 52.5 -61.0 -40.1 30.1 -12.5 -15.8 137 132 A A H 3< S+ 0 0 3 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.853 98.8 64.8 -68.7 -32.8 28.2 -13.4 -19.0 138 133 A E H 3< S+ 0 0 44 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.801 114.4 30.2 -58.3 -32.2 25.8 -10.5 -18.4 139 134 A V H << S+ 0 0 3 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.501 94.0 114.9-104.8 -6.2 28.6 -8.0 -18.9 140 135 A A < + 0 0 13 -4,-1.0 -3,-0.0 -3,-0.4 -4,-0.0 -0.391 21.0 152.7 -74.8 135.3 30.8 -10.0 -21.4 141 136 A T + 0 0 139 -2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.335 49.5 75.7-141.0 2.1 31.1 -8.6 -24.9 142 137 A G S > S- 0 0 49 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.119 100.2 -64.2-110.8-159.0 34.5 -9.9 -26.1 143 138 A D T 3 S+ 0 0 137 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.629 126.1 56.1 -70.1 -14.5 36.2 -13.1 -27.4 144 139 A D T 3> S+ 0 0 82 1,-0.1 4,-2.4 2,-0.1 -1,-0.3 0.486 75.8 97.2 -94.4 -5.4 35.6 -14.9 -24.1 145 140 A K H <> S+ 0 0 74 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 0.876 83.7 49.5 -54.7 -42.4 31.8 -14.5 -23.9 146 141 A K H > S+ 0 0 181 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.903 112.8 46.8 -67.1 -39.1 31.1 -18.0 -25.4 147 142 A R H > S+ 0 0 148 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.840 111.3 51.1 -69.2 -37.1 33.4 -19.7 -23.0 148 143 A I H X S+ 0 0 36 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.950 111.7 49.8 -62.0 -51.7 32.0 -17.8 -20.0 149 144 A I H X S+ 0 0 33 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.917 111.3 46.5 -52.0 -48.2 28.5 -18.8 -21.1 150 145 A D H X S+ 0 0 70 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.848 106.7 57.4 -77.5 -19.8 29.4 -22.4 -21.4 151 146 A S H X S+ 0 0 39 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.904 110.0 47.2 -65.1 -39.5 31.2 -22.4 -18.0 152 147 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -19,-0.2 5,-0.2 0.962 114.0 47.4 -61.6 -50.2 27.8 -21.2 -16.5 153 148 A R H X S+ 0 0 107 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.921 112.2 49.0 -56.3 -46.6 26.0 -23.9 -18.5 154 149 A S H X S+ 0 0 55 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.917 112.2 46.9 -67.4 -40.3 28.4 -26.7 -17.5 155 150 A A H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.932 115.4 46.2 -64.8 -46.7 28.3 -25.8 -13.8 156 151 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.899 112.1 51.7 -60.5 -41.7 24.4 -25.6 -13.8 157 152 A Q H X S+ 0 0 63 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.906 109.4 48.7 -66.1 -42.9 24.2 -28.9 -15.7 158 153 A E H X S+ 0 0 79 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.942 113.2 48.5 -62.4 -43.4 26.5 -30.8 -13.3 159 154 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.902 111.4 49.8 -58.4 -45.9 24.4 -29.4 -10.4 160 155 A M H X S+ 0 0 9 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.901 109.7 51.5 -58.6 -43.1 21.1 -30.4 -12.2 161 156 A D H X S+ 0 0 70 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.935 114.5 41.8 -64.0 -42.6 22.5 -34.0 -12.8 162 157 A I H X S+ 0 0 34 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.933 113.9 51.9 -69.0 -43.4 23.4 -34.5 -9.1 163 158 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.907 109.0 50.8 -66.3 -37.9 20.2 -32.8 -7.8 164 159 A K H < S+ 0 0 107 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.9 40.3 -62.9 -40.2 18.0 -35.1 -10.0 165 160 A K H < S+ 0 0 165 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.841 130.4 24.3 -73.3 -34.6 19.8 -38.2 -8.8 166 161 A E H < S+ 0 0 123 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.521 109.3 60.1-117.3 -10.2 20.1 -37.3 -5.1 167 162 A M S < S- 0 0 10 -4,-2.4 -1,-0.0 -5,-0.3 0, 0.0 -0.917 78.4-106.5-125.5 150.7 17.5 -34.7 -4.0 168 163 A P > - 0 0 56 0, 0.0 3,-1.9 0, 0.0 6,-0.2 -0.381 36.2-111.7 -69.9 155.7 13.7 -34.7 -3.9 169 164 A P T 3 S+ 0 0 32 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.687 117.7 52.8 -62.8 -22.3 12.0 -32.6 -6.6 170 165 A T T 3 S+ 0 0 2 35,-0.1 55,-0.1 36,-0.1 36,-0.1 0.425 74.7 127.6 -90.3 -2.9 10.8 -30.2 -3.8 171 166 A H <> - 0 0 45 -3,-1.9 4,-2.6 1,-0.1 5,-0.3 -0.345 62.8-133.6 -55.1 126.4 14.2 -29.6 -2.3 172 167 A P H > S+ 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.859 106.2 50.9 -49.7 -36.0 14.7 -25.7 -2.1 173 168 A I H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.933 111.3 47.6 -70.3 -43.6 18.2 -26.0 -3.5 174 169 A R H > S+ 0 0 28 1,-0.2 4,-2.2 -6,-0.2 -1,-0.2 0.935 115.3 45.8 -59.7 -45.1 17.0 -28.1 -6.4 175 170 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.878 113.2 48.0 -63.2 -44.0 14.1 -25.6 -7.0 176 171 A G H X S+ 0 0 3 -4,-2.8 4,-2.2 -5,-0.3 67,-0.3 0.894 110.9 53.0 -67.6 -38.0 16.4 -22.5 -6.8 177 172 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.937 110.8 45.9 -60.4 -47.3 18.9 -24.1 -9.1 178 173 A A H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.884 109.5 54.7 -64.0 -41.2 16.2 -24.8 -11.7 179 174 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.936 114.5 40.2 -56.0 -49.4 14.8 -21.4 -11.4 180 175 A N H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.886 113.7 51.9 -71.4 -37.3 18.3 -19.8 -12.1 181 176 A F H X S+ 0 0 6 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.900 109.0 52.9 -64.2 -33.0 19.2 -22.3 -14.8 182 177 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.940 108.8 48.8 -69.3 -41.8 15.9 -21.5 -16.5 183 178 A V H X>S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.6 0.922 107.9 55.3 -60.5 -41.2 16.8 -17.7 -16.4 184 179 A F H X>S+ 0 0 3 -4,-2.5 5,-2.4 1,-0.2 4,-2.0 0.935 109.4 47.3 -55.0 -49.6 20.2 -18.5 -17.9 185 180 A H H <5S+ 0 0 17 -4,-2.4 6,-3.4 3,-0.2 -1,-0.2 0.922 117.5 42.5 -58.6 -43.1 18.4 -20.2 -20.8 186 181 A Y H <5S+ 0 0 87 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.947 129.6 21.0 -68.7 -43.2 16.0 -17.3 -21.2 187 182 A E H <5S+ 0 0 68 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.709 133.0 27.5-108.2 -30.2 18.3 -14.4 -20.9 188 183 A I T < + 0 0 43 -6,-3.4 4,-2.3 -7,-0.2 5,-0.2 -0.573 21.6 162.1-132.7 70.6 16.7 -20.4 -25.5 192 187 A P H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.831 75.7 57.1 -69.4 -27.3 13.4 -19.1 -24.2 193 188 A E H > S+ 0 0 164 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.937 108.5 44.7 -62.7 -47.8 11.8 -22.5 -25.1 194 189 A E H > S+ 0 0 100 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.905 112.4 54.3 -61.3 -42.2 14.3 -24.4 -22.9 195 190 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.930 112.4 43.0 -55.8 -48.9 13.8 -21.8 -20.2 196 191 A I H X S+ 0 0 34 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.926 113.7 49.7 -65.6 -49.4 10.0 -22.3 -20.2 197 192 A S H X S+ 0 0 63 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.902 112.5 49.4 -55.3 -45.7 10.1 -26.2 -20.4 198 193 A L H X S+ 0 0 22 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.953 112.3 45.7 -62.0 -49.4 12.5 -26.3 -17.5 199 194 A A H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.901 115.9 47.6 -61.0 -41.7 10.4 -24.0 -15.3 200 195 A K H X S+ 0 0 90 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.955 114.8 43.6 -60.8 -57.4 7.2 -26.0 -16.2 201 196 A T H X S+ 0 0 65 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.924 114.2 50.1 -60.5 -43.3 8.6 -29.4 -15.6 202 197 A T H X S+ 0 0 13 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.935 112.9 47.1 -59.1 -49.5 10.4 -28.4 -12.4 203 198 A F H X S+ 0 0 33 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.933 113.4 48.0 -54.7 -49.0 7.1 -26.8 -11.1 204 199 A D H X S+ 0 0 96 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.919 111.6 49.0 -67.5 -40.9 5.0 -29.9 -12.0 205 200 A E H < S+ 0 0 91 -4,-2.8 4,-0.4 -5,-0.2 -1,-0.2 0.881 111.8 49.9 -66.3 -36.2 7.4 -32.4 -10.4 206 201 A A H >X S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.3 4,-0.8 0.936 106.9 55.0 -65.5 -48.1 7.5 -30.3 -7.2 207 202 A M H >< S+ 0 0 110 -4,-2.7 3,-1.1 1,-0.2 4,-0.4 0.915 105.8 52.6 -44.0 -49.3 3.6 -30.2 -7.1 208 203 A A T 3< S+ 0 0 78 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.545 111.5 45.5 -73.1 -9.2 3.4 -34.0 -7.2 209 204 A D T X4 S+ 0 0 30 -3,-1.6 3,-1.8 -4,-0.4 4,-0.3 0.368 83.2 94.9-111.9 -3.2 5.9 -34.4 -4.2 210 205 A L G X< S+ 0 0 21 -3,-1.1 3,-2.2 -4,-0.8 -2,-0.1 0.880 73.1 69.3 -56.7 -33.3 4.4 -31.8 -1.9 211 206 A H G 3 S+ 0 0 159 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.687 91.6 60.4 -62.0 -18.1 2.3 -34.4 -0.2 212 207 A T G < S+ 0 0 79 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.588 91.3 93.2 -87.9 -12.3 5.4 -35.9 1.4 213 208 A L S < S- 0 0 45 -3,-2.2 2,-0.0 -4,-0.3 -3,-0.0 -0.553 72.7-122.0 -92.3 146.6 6.4 -32.8 3.3 214 209 A S > - 0 0 67 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.278 45.4 -98.2 -59.7 162.0 5.8 -31.4 6.8 215 210 A E H > S+ 0 0 155 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.862 124.3 51.7 -57.8 -37.3 4.0 -28.0 6.9 216 211 A D H > S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 112.3 44.0 -67.9 -40.4 7.4 -26.1 7.4 217 212 A S H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.850 110.1 57.8 -70.5 -33.1 9.0 -27.8 4.3 218 213 A Y H X S+ 0 0 118 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.949 106.4 49.3 -57.2 -51.9 5.8 -27.2 2.4 219 214 A K H X S+ 0 0 63 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.896 110.9 49.3 -55.7 -46.0 6.2 -23.5 3.1 220 215 A D H X S+ 0 0 89 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.896 114.8 43.0 -62.6 -44.1 9.9 -23.5 1.9 221 216 A S H >X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 3,-0.6 0.936 111.1 52.4 -70.4 -46.0 9.2 -25.3 -1.4 222 217 A T H 3X S+ 0 0 41 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.847 101.8 63.6 -63.2 -30.3 6.0 -23.4 -2.4 223 218 A L H 3X S+ 0 0 128 -4,-1.4 4,-0.9 -5,-0.3 -1,-0.2 0.927 110.8 35.8 -57.0 -46.0 7.9 -20.1 -1.9 224 219 A I H