==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 30-SEP-10 3P1S . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ANDERS,Y.HIGUCHI,B.SCHUMACHER,P.THIEL,N.KATO,C.OTTMANN . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 78.5 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 . 165 68.2 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 0 2 0 0 1 0 1 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 78 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.7 -3.5 -11.8 -6.3 2 -3 A A + 0 0 101 1,-0.0 3,-0.3 0, 0.0 27,-0.0 -0.942 360.0 18.3 -69.6 -3.5 -2.0 -9.5 -6.3 3 -2 A M S > S+ 0 0 39 1,-0.2 3,-1.9 2,-0.1 8,-0.1 0.396 98.6 101.3 -97.6 6.9 0.3 -12.0 -8.2 4 -1 A G T 3 S+ 0 0 44 1,-0.3 -1,-0.2 32,-0.0 4,-0.1 0.752 79.5 51.9 -61.9 -26.2 -2.5 -14.5 -8.9 5 0 A S T 3 S+ 0 0 123 -3,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.541 92.7 90.2 -89.2 -8.0 -2.9 -13.3 -12.5 6 1 A M S < S- 0 0 37 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.760 83.7-108.1 -95.7 134.5 0.8 -13.7 -13.4 7 2 A E > - 0 0 141 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.237 24.1-123.5 -47.8 140.0 2.3 -16.9 -14.8 8 3 A R H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.923 113.8 48.6 -51.7 -46.2 4.5 -18.8 -12.4 9 4 A A H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.861 109.6 52.4 -68.0 -35.4 7.4 -18.7 -14.9 10 5 A S H > S+ 0 0 41 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.887 107.9 52.0 -66.9 -37.5 6.9 -14.9 -15.4 11 6 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.926 111.6 46.8 -61.8 -42.6 7.0 -14.4 -11.6 12 7 A I H X S+ 0 0 12 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.935 112.2 49.7 -64.2 -45.8 10.3 -16.4 -11.4 13 8 A Q H X S+ 0 0 123 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.934 113.1 46.8 -59.4 -43.8 11.8 -14.4 -14.4 14 9 A K H X S+ 0 0 84 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.850 106.8 57.1 -69.9 -32.4 10.8 -11.1 -12.7 15 10 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 107.8 48.6 -61.6 -42.3 12.2 -12.2 -9.4 16 11 A K H X S+ 0 0 74 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.880 112.1 48.5 -65.6 -35.8 15.6 -12.7 -11.1 17 12 A L H X S+ 0 0 95 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.940 111.1 50.3 -66.5 -42.4 15.3 -9.3 -12.8 18 13 A A H <>S+ 0 0 7 -4,-3.2 5,-2.9 1,-0.2 4,-0.4 0.901 108.3 53.5 -63.1 -38.0 14.4 -7.7 -9.4 19 14 A E H ><5S+ 0 0 80 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.938 108.7 48.7 -61.1 -46.9 17.5 -9.4 -7.9 20 15 A Q H 3<5S+ 0 0 142 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.852 114.9 45.3 -59.3 -35.4 19.7 -7.9 -10.6 21 16 A A T 3<5S- 0 0 63 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.362 111.1-123.8 -86.0 1.4 18.1 -4.5 -9.9 22 17 A E T < 5 + 0 0 141 -3,-1.5 2,-1.1 -4,-0.4 -3,-0.2 0.839 63.5 145.3 49.7 42.1 18.5 -5.1 -6.1 23 18 A R >< + 0 0 148 -5,-2.9 4,-2.7 1,-0.2 -1,-0.2 -0.694 16.7 166.8-102.0 76.0 14.7 -4.5 -5.8 24 19 A Y H > + 0 0 47 -2,-1.1 4,-2.6 1,-0.2 32,-0.2 0.830 68.1 56.4 -75.5 -28.6 14.4 -7.0 -3.0 25 20 A E H > S+ 0 0 153 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 113.2 42.8 -63.8 -44.0 10.8 -6.0 -1.9 26 21 A D H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.937 112.2 54.0 -62.3 -45.0 9.7 -6.7 -5.5 27 22 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.914 110.3 47.0 -55.1 -45.0 11.7 -9.8 -5.6 28 23 A A H X S+ 0 0 5 -4,-2.6 4,-2.7 24,-0.2 -1,-0.2 0.915 111.3 50.7 -67.2 -41.2 10.0 -11.1 -2.4 29 24 A A H X S+ 0 0 40 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.907 111.5 48.2 -62.9 -40.7 6.6 -10.2 -3.7 30 25 A F H X S+ 0 0 34 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.919 113.7 46.2 -63.5 -47.2 7.2 -12.1 -7.0 31 26 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.854 109.4 54.6 -67.6 -33.1 8.6 -15.1 -5.1 32 27 A K H X S+ 0 0 68 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.940 109.5 48.9 -60.4 -45.9 5.6 -15.1 -2.7 33 28 A G H X S+ 0 0 2 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.908 110.0 51.3 -57.5 -39.8 3.4 -15.1 -5.8 34 29 A A H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 5,-0.4 0.917 110.1 48.4 -64.0 -43.4 5.4 -18.1 -7.2 35 30 A V H >< S+ 0 0 7 -4,-2.6 3,-2.3 1,-0.3 -1,-0.2 0.919 104.9 60.3 -64.1 -40.6 5.0 -20.0 -3.9 36 31 A E H 3< S+ 0 0 93 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.630 83.1 80.0 -67.1 -12.2 1.3 -19.3 -3.9 37 32 A K T << S- 0 0 70 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.752 103.8-126.7 -62.8 -19.9 1.0 -21.1 -7.2 38 33 A G < + 0 0 65 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.375 68.5 118.6 96.5 -11.2 1.0 -24.3 -5.1 39 34 A E S S- 0 0 129 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.658 71.7 -98.8 -87.5 153.5 3.8 -26.2 -6.9 40 35 A E - 0 0 114 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.222 40.7-116.4 -65.9 153.4 7.1 -27.1 -5.1 41 36 A L - 0 0 8 71,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.772 20.0-127.9 -89.1 142.2 10.1 -24.9 -5.6 42 37 A S > - 0 0 50 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.249 35.3 -97.6 -71.5 173.3 13.2 -26.0 -7.3 43 38 A V H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.931 127.2 48.0 -60.2 -44.2 16.6 -25.4 -5.6 44 39 A E H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 113.2 48.9 -63.6 -39.7 17.2 -22.2 -7.7 45 40 A E H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.879 108.5 52.3 -69.3 -39.1 13.7 -21.0 -6.8 46 41 A R H X S+ 0 0 26 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.913 108.6 51.6 -64.0 -39.0 14.1 -21.7 -3.1 47 42 A N H X S+ 0 0 71 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.925 108.7 50.5 -65.6 -39.0 17.3 -19.7 -3.2 48 43 A L H X S+ 0 0 18 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.920 111.0 49.8 -61.5 -44.6 15.5 -16.8 -4.9 49 44 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.947 114.0 44.0 -55.9 -49.2 12.8 -16.9 -2.2 50 45 A S H X S+ 0 0 28 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.902 112.5 51.1 -69.8 -40.0 15.3 -16.9 0.6 51 46 A V H X S+ 0 0 53 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.898 109.4 52.1 -61.3 -43.3 17.5 -14.2 -0.8 52 47 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -24,-0.2 0.972 116.1 36.8 -60.0 -58.2 14.6 -11.9 -1.4 53 48 A Y H X S+ 0 0 13 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.869 112.5 58.7 -68.1 -33.1 13.2 -12.1 2.1 54 49 A K H X S+ 0 0 35 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.890 110.8 44.1 -62.9 -35.7 16.7 -12.2 3.8 55 50 A N H X S+ 0 0 69 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.878 114.1 48.6 -74.0 -41.0 17.4 -8.8 2.2 56 51 A V H X S+ 0 0 21 -4,-2.1 4,-1.9 -32,-0.2 -2,-0.2 0.961 118.7 38.5 -61.2 -52.9 14.1 -7.3 3.0 57 52 A V H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.842 110.7 61.2 -72.1 -30.2 14.1 -8.3 6.6 58 53 A G H X S+ 0 0 23 -4,-1.6 4,-2.4 -5,-0.4 -1,-0.2 0.927 106.4 45.8 -60.6 -44.1 17.9 -7.6 6.8 59 54 A G H X S+ 0 0 47 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.904 114.2 48.8 -63.3 -39.7 17.2 -3.9 6.0 60 55 A Q H X S+ 0 0 31 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.910 111.6 49.1 -68.4 -39.3 14.3 -3.8 8.5 61 56 A R H X S+ 0 0 5 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.925 110.2 50.4 -65.6 -46.7 16.4 -5.4 11.2 62 57 A A H X S+ 0 0 42 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.922 113.1 46.9 -57.7 -40.7 19.4 -3.0 10.7 63 58 A A H X S+ 0 0 39 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.926 110.1 52.8 -66.2 -44.4 17.0 -0.0 10.8 64 59 A W H X S+ 0 0 34 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.913 107.9 51.5 -56.3 -41.1 15.3 -1.5 14.0 65 60 A R H X S+ 0 0 82 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.907 108.5 50.7 -67.5 -36.0 18.7 -1.7 15.6 66 61 A V H X S+ 0 0 89 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.947 115.8 42.5 -61.6 -48.1 19.6 1.9 14.8 67 62 A L H X S+ 0 0 25 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.894 112.2 52.9 -68.8 -39.9 16.2 3.0 16.3 68 63 A S H X S+ 0 0 21 -4,-3.3 4,-2.7 -5,-0.2 -1,-0.2 0.898 108.4 51.5 -61.7 -39.1 16.5 0.7 19.4 69 64 A S H X S+ 0 0 72 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.906 111.2 47.1 -63.6 -41.9 19.9 2.1 20.1 70 65 A I H X S+ 0 0 83 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.933 112.5 50.2 -64.0 -43.3 18.6 5.7 20.0 71 66 A E H X S+ 0 0 19 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.904 109.3 51.2 -63.2 -43.1 15.6 4.6 22.2 72 67 A Q H >< S+ 0 0 105 -4,-2.7 3,-0.7 1,-0.2 4,-0.4 0.913 109.3 49.8 -63.3 -40.9 18.0 3.1 24.7 73 68 A K H >< S+ 0 0 58 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.913 106.1 57.5 -63.5 -38.0 20.1 6.2 24.9 74 69 A S H 3< S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.731 104.3 53.1 -64.7 -21.6 16.9 8.3 25.4 75 70 A N T << S+ 0 0 117 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.473 88.6 104.5 -93.5 -0.6 16.1 6.1 28.5 76 71 A E S X S- 0 0 122 -3,-1.6 3,-1.7 -4,-0.4 2,-0.1 -0.409 86.2 -81.8 -78.7 156.7 19.6 6.7 30.2 77 72 A E T 3 S+ 0 0 111 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.309 115.7 18.3 -57.1 127.2 20.1 9.0 33.2 78 73 A G T 3 S+ 0 0 86 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.383 88.4 136.7 90.5 -4.3 20.5 12.7 32.2 79 74 A S < - 0 0 50 -3,-1.7 -1,-0.3 -6,-0.1 2,-0.2 -0.614 58.8-116.3 -74.7 137.1 19.0 12.2 28.7 80 75 A E - 0 0 142 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.495 29.9-108.0 -76.6 136.2 16.5 15.0 27.8 81 76 A E + 0 0 148 -2,-0.2 -1,-0.1 1,-0.1 -6,-0.1 -0.525 39.3 173.7 -62.4 121.6 12.8 13.9 27.3 82 77 A K - 0 0 147 1,-0.4 3,-0.5 -2,-0.3 -1,-0.1 0.286 40.5-118.9-115.1 10.5 12.0 14.0 23.7 83 78 A G - 0 0 33 1,-0.2 3,-0.5 2,-0.1 -1,-0.4 -0.304 47.0 -46.4 88.7-170.4 8.6 12.5 23.8 84 79 A P S > S+ 0 0 55 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.508 102.1 96.0 -80.8 -3.0 7.0 9.4 22.3 85 80 A E H > S+ 0 0 113 -3,-0.5 4,-2.7 1,-0.2 5,-0.2 0.825 81.7 50.1 -71.9 -37.6 8.4 9.7 18.7 86 81 A V H > S+ 0 0 43 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.962 115.9 42.7 -60.6 -50.9 11.4 7.5 19.0 87 82 A R H > S+ 0 0 101 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.923 114.5 52.4 -59.6 -45.4 9.4 4.7 20.6 88 83 A E H X S+ 0 0 95 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.926 113.4 42.5 -57.9 -46.7 6.6 5.2 18.1 89 84 A Y H X S+ 0 0 123 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.916 112.9 51.5 -72.3 -35.2 8.9 5.0 15.1 90 85 A R H X S+ 0 0 38 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.914 112.2 49.4 -61.6 -41.5 10.9 2.0 16.5 91 86 A E H X S+ 0 0 71 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.868 108.0 53.4 -65.4 -37.1 7.5 0.3 17.0 92 87 A K H X S+ 0 0 116 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.938 113.3 41.7 -61.9 -49.5 6.4 1.2 13.4 93 88 A V H X S+ 0 0 11 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.924 114.6 53.6 -63.2 -42.2 9.6 -0.5 12.0 94 89 A E H X S+ 0 0 25 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.894 107.8 48.8 -58.8 -42.8 9.2 -3.3 14.4 95 90 A T H X S+ 0 0 85 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.906 112.1 48.9 -70.9 -37.0 5.6 -4.0 13.4 96 91 A E H X S+ 0 0 104 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.914 111.1 49.5 -66.4 -41.7 6.6 -4.0 9.7 97 92 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.925 110.7 51.3 -64.1 -44.8 9.5 -6.3 10.3 98 93 A Q H X S+ 0 0 58 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.887 107.2 54.4 -55.0 -40.9 7.1 -8.7 12.3 99 94 A G H X S+ 0 0 32 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.893 107.8 47.9 -64.4 -37.3 4.7 -8.6 9.4 100 95 A V H X S+ 0 0 25 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.937 112.0 49.6 -67.7 -46.2 7.4 -9.7 7.0 101 96 A C H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.919 111.5 49.1 -58.7 -41.2 8.5 -12.5 9.3 102 97 A D H X S+ 0 0 93 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.865 109.5 53.2 -67.3 -34.5 4.8 -13.6 9.7 103 98 A T H X S+ 0 0 52 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.944 112.3 43.4 -60.6 -47.8 4.5 -13.6 5.9 104 99 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.937 113.9 50.6 -65.8 -48.2 7.5 -15.8 5.4 105 100 A L H X S+ 0 0 19 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.890 109.5 52.9 -60.2 -34.0 6.4 -18.1 8.3 106 101 A G H X S+ 0 0 34 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.884 107.5 49.0 -66.0 -40.1 3.0 -18.3 6.6 107 102 A L H <>S+ 0 0 9 -4,-2.0 5,-1.9 2,-0.2 3,-0.2 0.895 111.9 50.3 -64.6 -40.9 4.5 -19.3 3.3 108 103 A L H <>S+ 0 0 3 -4,-2.4 5,-2.7 1,-0.2 6,-0.5 0.905 115.9 42.0 -64.0 -38.0 6.5 -22.0 5.0 109 104 A D H <5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.568 106.0 69.2 -82.4 -13.5 3.4 -23.3 6.9 110 105 A S T <5S- 0 0 62 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.1 -0.523 131.1 -54.2-142.2 73.8 1.2 -23.0 3.8 111 106 A H T >5S+ 0 0 109 -3,-0.3 4,-1.6 -2,-0.1 -3,-0.2 -0.726 111.7 93.4-145.6 38.4 2.5 -25.3 2.3 112 107 A L H >4> S- 0 0 117 1,-0.1 4,-2.7 4,-0.0 3,-0.6 -0.629 83.3-122.3 -82.7 148.6 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157.9-132.2 62.2 24.1 -20.2 25.4 192 187 A P H > S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.861 75.3 57.2 -61.9 -29.2 27.5 -19.0 24.1 193 188 A E H > S+ 0 0 165 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.921 109.0 44.9 -65.3 -41.4 29.2 -22.2 25.0 194 189 A E H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.904 112.1 53.5 -67.6 -36.0 26.8 -24.2 22.9 195 190 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.929 112.5 43.7 -62.9 -43.5 27.2 -21.6 20.1 196 191 A I H X S+ 0 0 30 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.911 113.8 50.4 -68.9 -45.6 31.0 -22.0 20.1 197 192 A S H X S+ 0 0 61 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.928 112.5 47.3 -59.2 -44.5 30.8 -25.8 20.4 198 193 A L H X S+ 0 0 22 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.938 113.0 47.0 -63.9 -45.1 28.4 -26.0 17.5 199 194 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.931 115.0 47.8 -66.7 -40.4 30.4 -23.7 15.3 200 195 A K H X S+ 0 0 97 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.954 114.2 44.4 -57.2 -54.5 33.7 -25.6 16.1 201 196 A T H X S+ 0 0 65 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.907 114.1 50.6 -63.0 -43.7 32.3 -29.1 15.5 202 197 A T H X S+ 0 0 15 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.924 112.5 45.8 -57.1 -53.1 30.6 -28.0 12.3 203 198 A F H X S+ 0 0 25 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.938 114.7 48.2 -58.1 -46.4 33.8 -26.4 11.0 204 199 A D H X S+ 0 0 93 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.902 111.1 48.6 -67.3 -38.8 36.0 -29.4 11.9 205 200 A E H X S+ 0 0 90 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.858 112.7 49.4 -68.0 -35.6 33.6 -32.0 10.4 206 201 A A H >X S+ 0 0 0 -4,-2.0 3,-1.4 -5,-0.2 4,-0.9 0.925 107.9 53.5 -67.9 -44.1 33.4 -30.0 7.2 207 202 A M H >< S+ 0 0 98 -4,-2.8 3,-1.0 1,-0.3 4,-0.4 0.912 106.2 53.6 -58.4 -38.3 37.2 -29.7 7.0 208 203 A A H 3< S+ 0 0 72 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.670 111.2 45.9 -72.4 -15.2 37.6 -33.4 7.3 209 204 A D H X< S+ 0 0 27 -3,-1.4 3,-1.9 -4,-0.5 -1,-0.3 0.429 82.9 94.0-105.4 -6.7 35.2 -34.0 4.4 210 205 A L G X< S+ 0 0 22 -3,-1.0 3,-2.1 -4,-0.9 -1,-0.1 0.829 72.6 71.2 -56.0 -30.2 36.7 -31.4 2.0 211 206 A H G 3 S+ 0 0 159 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.692 91.6 58.9 -61.3 -17.8 38.8 -34.2 0.4 212 207 A T G < S+ 0 0 77 -3,-1.9 -1,-0.3 2,-0.1 2,-0.2 0.519 92.4 96.0 -86.9 -8.8 35.7 -35.7 -1.2 213 208 A L S < S- 0 0 45 -3,-2.1 2,-0.1 -4,-0.2 -3,-0.0 -0.572 71.0-123.8 -96.2 145.3 34.8 -32.5 -3.1 214 209 A S > - 0 0 68 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.293 44.8 -96.8 -61.6 162.4 35.4 -31.2 -6.6 215 210 A E H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.927 125.8 49.3 -51.0 -44.3 37.1 -27.8 -7.0 216 211 A D H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 113.1 45.1 -63.3 -47.8 33.6 -26.0 -7.3 217 212 A S H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.900 109.3 56.5 -62.2 -39.1 32.1 -27.7 -4.3 218 213 A Y H X S+ 0 0 124 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.938 107.8 47.6 -59.3 -46.7 35.2 -27.1 -2.2 219 214 A K H X S+ 0 0 76 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.920 112.6 50.5 -60.2 -43.4 34.9 -23.3 -2.9 220 215 A D H X S+ 0 0 92 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.835 115.2 41.1 -60.1 -41.3 31.2 -23.5 -2.0 221 216 A S H >X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 3,-0.6 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