==== 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 4DHQ . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.THIEL,L.ROEGLIN,O.KOHLBACHER,C.OTTMANN . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 81.4 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 72.3 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 1 1 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 0 142 0, 0.0 3,-0.3 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -15.0 -1.8 9.2 6.4 2 -2 A M > + 0 0 41 1,-0.2 3,-1.8 2,-0.1 8,-0.1 0.373 360.0 104.2 -97.9 4.7 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 0.787 79.9 49.7 -58.3 -27.4 -2.5 14.2 8.9 4 0 A S T 3 S+ 0 0 121 -3,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.522 92.4 91.8 -91.6 -4.5 -2.8 13.2 12.5 5 1 A M S < S- 0 0 37 -3,-1.8 5,-0.1 1,-0.1 -3,-0.0 -0.765 83.0-107.8 -95.0 138.9 0.8 13.6 13.5 6 2 A E > - 0 0 142 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.263 24.4-122.7 -54.4 144.3 2.3 16.8 14.8 7 3 A R H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.914 114.0 50.0 -52.5 -47.8 4.6 18.8 12.5 8 4 A A H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.865 109.4 51.5 -67.2 -32.8 7.4 18.6 15.0 9 5 A S H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.892 107.8 52.7 -68.3 -38.2 7.0 14.8 15.4 10 6 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.914 111.4 46.2 -60.1 -45.8 7.1 14.4 11.6 11 7 A I H X S+ 0 0 12 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.929 112.5 50.0 -62.9 -46.4 10.4 16.3 11.4 12 8 A Q H X S+ 0 0 126 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.930 112.5 47.1 -59.6 -46.7 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 0.862 106.9 57.6 -64.5 -33.7 10.8 11.0 12.7 14 10 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.925 108.0 47.8 -61.3 -40.0 12.3 12.1 9.4 15 11 A K H X S+ 0 0 74 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.894 112.5 48.4 -69.5 -38.4 15.6 12.6 11.2 16 12 A L H X S+ 0 0 94 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.923 110.5 51.3 -61.1 -46.3 15.3 9.2 12.8 17 13 A A H <>S+ 0 0 7 -4,-3.2 5,-3.1 1,-0.2 4,-0.3 0.890 107.1 53.7 -60.3 -40.6 14.4 7.6 9.4 18 14 A E H ><5S+ 0 0 73 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.915 108.9 49.2 -59.2 -43.7 17.6 9.2 7.9 19 15 A Q H 3<5S+ 0 0 154 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.871 113.5 46.0 -60.5 -36.4 19.7 7.6 10.7 20 16 A A T 3<5S- 0 0 69 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.362 112.6-121.1 -86.0 1.2 18.1 4.2 10.1 21 17 A E T < 5 + 0 0 146 -3,-1.2 2,-1.0 -4,-0.3 -3,-0.2 0.819 65.9 143.2 54.7 38.2 18.6 4.7 6.3 22 18 A R >< + 0 0 146 -5,-3.1 4,-2.2 1,-0.2 -1,-0.2 -0.683 16.6 166.1-105.1 78.3 14.8 4.3 5.8 23 19 A Y H > + 0 0 53 -2,-1.0 4,-2.5 1,-0.2 32,-0.2 0.786 69.0 56.1 -75.0 -31.8 14.4 6.8 3.0 24 20 A E H > S+ 0 0 154 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 112.6 44.5 -61.0 -45.6 10.9 5.9 1.9 25 21 A D H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.903 111.8 53.8 -63.2 -41.7 9.7 6.6 5.5 26 22 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.921 109.3 47.4 -58.4 -43.3 11.8 9.7 5.6 27 23 A A H X S+ 0 0 5 -4,-2.5 4,-2.9 24,-0.3 5,-0.2 0.907 111.7 50.5 -65.9 -42.7 10.1 11.0 2.4 28 24 A A H X S+ 0 0 40 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.885 110.9 48.7 -61.7 -41.0 6.6 10.2 3.7 29 25 A F H X S+ 0 0 31 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.928 114.0 45.9 -64.8 -45.4 7.4 12.0 7.0 30 26 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.876 109.5 53.9 -67.6 -36.2 8.6 15.1 5.1 31 27 A K H X S+ 0 0 70 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.932 109.4 50.1 -57.3 -48.4 5.7 15.0 2.7 32 28 A G H < S+ 0 0 3 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.898 110.1 50.1 -55.8 -42.2 3.4 15.0 5.8 33 29 A A H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 5,-0.4 0.926 110.4 48.9 -63.6 -44.7 5.4 18.0 7.2 34 30 A V H >< S+ 0 0 6 -4,-2.7 3,-2.4 1,-0.3 -1,-0.2 0.924 104.9 60.0 -58.2 -44.5 5.1 20.0 4.0 35 31 A E T 3< S+ 0 0 111 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.586 83.4 79.1 -67.0 -9.4 1.4 19.3 3.9 36 32 A K T < S- 0 0 72 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.687 103.9-128.4 -65.0 -20.5 1.0 21.0 7.2 37 33 A G < + 0 0 67 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.308 66.4 121.5 94.1 -6.4 1.1 24.2 5.1 38 34 A E S S- 0 0 132 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.559 70.6 -98.6 -83.6 151.4 3.9 26.1 6.9 39 35 A E - 0 0 114 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.221 40.5-117.1 -60.5 157.4 7.1 27.2 5.2 40 36 A L - 0 0 9 68,-0.1 -1,-0.1 1,-0.0 2,-0.0 -0.843 19.6-129.1-100.3 140.8 10.1 25.0 5.7 41 37 A S > - 0 0 51 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.245 36.1 -95.8 -72.2 173.3 13.3 26.1 7.4 42 38 A X H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.939 127.2 47.7 -58.3 -46.6 16.7 25.6 5.8 43 39 A E H > S+ 0 0 108 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 112.6 49.4 -61.1 -42.0 17.3 22.4 7.8 44 40 A E H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 107.2 54.3 -69.9 -38.5 13.8 21.1 6.9 45 41 A R H X S+ 0 0 27 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.910 108.1 51.5 -56.9 -42.6 14.3 21.8 3.2 46 42 A N H X S+ 0 0 69 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.904 107.4 51.1 -66.0 -34.3 17.4 19.8 3.3 47 43 A L H X S+ 0 0 11 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.906 110.2 50.3 -65.3 -40.8 15.6 16.8 4.9 48 44 A L H X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.928 113.5 45.4 -61.4 -47.6 13.0 17.0 2.2 49 45 A S H X S+ 0 0 28 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.926 112.4 49.3 -63.4 -47.3 15.7 17.0 -0.5 50 46 A V H X S+ 0 0 40 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.926 111.1 51.6 -59.1 -43.9 17.8 14.2 1.0 51 47 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -24,-0.3 0.958 115.6 37.7 -61.3 -55.6 14.7 12.0 1.4 52 48 A Y H X S+ 0 0 13 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.842 111.6 58.5 -68.1 -31.4 13.4 12.2 -2.1 53 49 A K H X S+ 0 0 119 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.907 109.9 45.5 -66.5 -36.5 16.9 12.2 -3.7 54 50 A N H X S+ 0 0 66 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.897 113.9 47.8 -70.9 -39.4 17.5 8.8 -2.1 55 51 A V H X S+ 0 0 21 -4,-2.1 4,-1.5 -32,-0.2 -2,-0.2 0.960 117.3 41.1 -63.6 -52.8 14.1 7.4 -3.0 56 52 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.832 110.0 60.7 -67.0 -30.7 14.3 8.5 -6.6 57 53 A G H X S+ 0 0 26 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.920 103.6 49.0 -62.6 -45.7 18.0 7.5 -6.7 58 54 A G H X S+ 0 0 47 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.896 114.1 46.9 -52.8 -45.8 17.1 3.8 -5.9 59 55 A Q H X S+ 0 0 30 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.876 111.1 50.8 -68.6 -40.3 14.4 3.9 -8.7 60 56 A R H X S+ 0 0 46 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.914 110.3 49.8 -65.7 -40.0 16.8 5.5 -11.3 61 57 A A H X S+ 0 0 58 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.922 114.4 44.8 -63.3 -44.0 19.5 2.9 -10.6 62 58 A A H X S+ 0 0 38 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.910 110.5 53.2 -66.3 -43.2 16.9 0.1 -11.0 63 59 A W H X S+ 0 0 40 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.886 109.0 51.0 -60.6 -38.4 15.4 1.6 -14.1 64 60 A R H X S+ 0 0 118 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.926 109.5 49.2 -66.6 -41.8 18.9 1.8 -15.7 65 61 A V H X S+ 0 0 90 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.936 116.4 42.8 -58.9 -49.5 19.6 -1.8 -14.9 66 62 A L H X S+ 0 0 23 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.893 112.0 52.7 -69.4 -39.9 16.3 -2.9 -16.4 67 63 A S H X S+ 0 0 21 -4,-2.9 4,-2.9 -5,-0.2 -1,-0.2 0.904 109.2 51.1 -62.6 -38.3 16.5 -0.6 -19.5 68 64 A S H X S+ 0 0 59 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.932 110.9 46.7 -64.2 -45.0 19.9 -2.0 -20.3 69 65 A I H X S+ 0 0 86 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.897 113.3 50.6 -62.6 -41.7 18.7 -5.6 -20.1 70 66 A E H X S+ 0 0 16 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.930 109.1 50.0 -62.2 -45.5 15.7 -4.6 -22.3 71 67 A Q H >< S+ 0 0 118 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.884 109.6 51.4 -64.0 -39.1 17.9 -2.9 -24.9 72 68 A K H 3< S+ 0 0 171 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.898 105.3 55.8 -60.8 -41.3 20.1 -6.0 -25.0 73 69 A S H 3< 0 0 62 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.736 360.0 360.0 -62.3 -21.4 17.0 -8.2 -25.6 74 70 A N << 0 0 145 -4,-0.9 -3,-0.1 -3,-0.6 -4,-0.0 0.105 360.0 360.0-101.4 360.0 16.2 -5.9 -28.6 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 75 A E 0 0 191 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.9 16.3 -14.8 -28.0 77 76 A E + 0 0 151 1,-0.1 -3,-0.0 3,-0.0 -4,-0.0 -0.534 360.0 176.0 -66.4 128.5 12.7 -13.6 -27.5 78 77 A K - 0 0 80 1,-0.4 3,-0.4 -2,-0.3 -1,-0.1 0.310 43.0-113.2-121.7 7.7 12.0 -13.9 -23.7 79 78 A G - 0 0 54 1,-0.2 3,-0.4 2,-0.1 -1,-0.4 -0.389 48.8 -50.0 89.8-168.2 8.5 -12.4 -23.8 80 79 A P S > S+ 0 0 53 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.396 102.3 99.7 -84.2 0.9 7.0 -9.2 -22.4 81 80 A E H > S+ 0 0 110 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.856 79.8 47.2 -67.8 -40.8 8.5 -9.6 -18.9 82 81 A V H > S+ 0 0 41 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.948 116.9 44.9 -64.9 -47.2 11.5 -7.3 -19.1 83 82 A R H > S+ 0 0 101 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.912 113.5 51.5 -59.5 -44.0 9.5 -4.5 -20.7 84 83 A E H X S+ 0 0 97 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.932 113.8 42.4 -60.7 -45.0 6.6 -5.0 -18.1 85 84 A Y H X S+ 0 0 124 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.895 112.7 52.1 -75.7 -37.0 8.9 -4.8 -15.1 86 85 A R H X S+ 0 0 35 -4,-2.9 4,-3.0 -5,-0.2 -1,-0.2 0.938 111.2 50.0 -60.1 -43.6 10.9 -1.9 -16.6 87 86 A E H X S+ 0 0 73 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.859 108.4 52.5 -59.5 -37.3 7.5 -0.1 -17.1 88 87 A K H X S+ 0 0 109 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.944 113.0 43.0 -65.0 -48.4 6.5 -0.9 -13.5 89 88 A V H X S+ 0 0 10 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.938 114.2 52.3 -63.5 -43.9 9.7 0.6 -12.1 90 89 A E H X S+ 0 0 30 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.892 108.6 50.0 -57.0 -43.8 9.3 3.6 -14.5 91 90 A T H X S+ 0 0 88 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.882 111.1 48.4 -63.7 -39.6 5.7 4.2 -13.4 92 91 A E H X S+ 0 0 92 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.894 111.2 50.6 -70.4 -37.7 6.7 4.2 -9.8 93 92 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.908 110.1 50.0 -63.6 -43.9 9.6 6.6 -10.5 94 93 A Q H X S+ 0 0 59 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.882 108.1 54.4 -62.7 -38.7 7.2 8.9 -12.4 95 94 A G H X S+ 0 0 31 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.889 107.9 48.5 -62.8 -38.9 4.9 8.8 -9.4 96 95 A V H X S+ 0 0 23 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.938 113.0 48.1 -65.9 -47.2 7.7 9.9 -7.0 97 96 A C H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.916 111.2 50.0 -59.7 -44.4 8.7 12.8 -9.4 98 97 A D H X S+ 0 0 95 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.858 109.0 53.3 -63.4 -34.7 5.0 13.8 -9.7 99 98 A T H X S+ 0 0 53 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.933 111.5 44.5 -63.5 -47.4 4.7 13.8 -5.9 100 99 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.950 113.9 49.4 -63.8 -48.2 7.7 16.1 -5.4 101 100 A L H X S+ 0 0 18 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.889 109.3 54.5 -58.7 -35.9 6.6 18.4 -8.2 102 101 A G H X S+ 0 0 34 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.900 107.2 48.7 -64.6 -38.4 3.2 18.5 -6.5 103 102 A L H <>S+ 0 0 8 -4,-2.0 5,-1.8 1,-0.2 -1,-0.2 0.881 111.5 50.3 -67.5 -42.4 4.6 19.6 -3.2 104 103 A L H <>S+ 0 0 2 -4,-2.5 5,-2.7 1,-0.2 6,-0.5 0.897 115.8 42.1 -62.1 -39.8 6.6 22.3 -4.9 105 104 A D H <5S+ 0 0 96 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.655 105.1 70.4 -79.8 -17.9 3.5 23.5 -6.8 106 105 A S T <5S- 0 0 62 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.624 131.5 -56.9-138.6 76.0 1.2 23.2 -3.7 107 106 A H T >5S+ 0 0 110 -3,-0.3 4,-1.5 -2,-0.2 -3,-0.2 -0.726 110.9 97.2-143.4 39.6 2.5 25.5 -2.3 108 107 A L H >4 S- 0 0 119 1,-0.1 4,-2.8 4,-0.0 5,-0.3 -0.500 82.3-122.8 -78.1 147.0 13.8 34.6 0.2 115 114 A A H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.890 108.6 55.2 -53.5 -44.2 16.5 33.8 -2.4 116 115 A E H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.882 115.0 38.3 -62.3 -39.5 17.8 30.7 -0.5 117 116 A S H > S+ 0 0 9 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 117.3 48.9 -76.6 -42.8 14.3 29.1 -0.3 118 117 A R H X S+ 0 0 62 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.940 113.8 44.9 -67.6 -44.9 13.2 30.1 -3.8 119 118 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 5,-0.2 0.915 112.4 53.9 -62.5 -41.3 16.4 28.9 -5.6 120 119 A F H X S+ 0 0 15 -4,-1.4 4,-2.0 -5,-0.4 -2,-0.2 0.932 112.9 42.2 -58.2 -47.8 16.4 25.7 -3.5 121 120 A Y H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.879 113.9 50.3 -71.6 -37.0 12.8 24.8 -4.6 122 121 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.870 109.0 52.4 -68.8 -38.6 13.3 25.9 -8.2 123 122 A K H X S+ 0 0 37 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.919 109.4 50.4 -56.2 -44.7 16.4 23.7 -8.4 124 123 A M H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.911 108.0 52.6 -60.1 -42.4 14.3 20.8 -7.1 125 124 A K H X S+ 0 0 60 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.942 111.3 47.1 -59.4 -45.8 11.7 21.5 -9.7 126 125 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.921 112.4 50.1 -57.9 -47.4 14.5 21.3 -12.4 127 126 A D H X S+ 0 0 7 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.922 111.5 46.2 -61.0 -47.3 15.9 18.1 -11.0 128 127 A Y H X S+ 0 0 5 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.854 113.2 48.3 -72.8 -31.8 12.6 16.2 -10.8 129 128 A Y H X S+ 0 0 58 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.872 109.8 55.3 -67.6 -36.5 11.6 17.3 -14.3 130 129 A R H X S+ 0 0 10 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.899 106.5 49.2 -58.8 -42.0 15.1 16.2 -15.3 131 130 A Y H X S+ 0 0 7 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.891 110.8 50.7 -67.2 -38.7 14.4 12.7 -13.8 132 131 A L H >X S+ 0 0 13 -4,-1.9 3,-0.9 1,-0.2 4,-0.8 0.904 108.3 53.2 -59.4 -40.8 11.1 12.6 -15.7 133 132 A A H 3< S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.824 96.9 65.9 -65.6 -30.3 13.1 13.5 -18.9 134 133 A E H 3< S+ 0 0 35 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.796 113.9 31.3 -61.3 -30.5 15.5 10.6 -18.4 135 134 A V H << S+ 0 0 8 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.436 100.4 103.0-107.7 -0.8 12.7 8.1 -18.9 136 135 A A < - 0 0 7 -4,-0.8 2,-0.3 -3,-0.5 -3,-0.0 -0.466 51.7-158.6 -80.2 155.4 10.5 10.1 -21.4 137 136 A T > - 0 0 109 -2,-0.2 4,-1.5 0, 0.0 3,-0.3 -0.870 46.6 -4.3-126.3 162.5 10.3 9.6 -25.1 138 137 A G H > S- 0 0 52 -2,-0.3 4,-0.5 1,-0.2 -2,-0.0 -0.145 113.9 -33.7 68.6-150.5 9.3 11.7 -28.2 139 138 A D H > S+ 0 0 106 2,-0.3 4,-1.7 1,-0.2 5,-0.3 0.760 131.5 70.6 -83.5 -25.0 7.9 15.2 -28.0 140 139 A D H >> S+ 0 0 91 -3,-0.3 4,-1.5 1,-0.3 3,-0.6 0.977 100.5 52.1 -42.7 -50.7 6.2 14.3 -24.7 141 140 A K H 3X S+ 0 0 65 -4,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.777 100.5 62.2 -48.9 -42.3 9.9 14.4 -23.8 142 141 A K H 3X S+ 0 0 140 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.903 103.8 44.9 -61.4 -44.5 10.3 17.9 -25.3 143 142 A R H - 0 0 63 0, 0.0 3,-1.9 0, 0.0 6,-0.2 -0.345 38.0-109.7 -72.1 157.6 27.5 35.1 -3.9 165 164 A P T 3 S+ 0 0 33 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.670 118.0 53.4 -67.1 -14.7 29.2 32.9 -6.4 166 165 A T T 3 S+ 0 0 4 35,-0.1 55,-0.1 36,-0.1 36,-0.1 0.444 73.8 126.4 -94.4 -2.0 30.4 30.6 -3.7 167 166 A N <> - 0 0 29 -3,-1.9 4,-2.8 1,-0.2 5,-0.2 -0.341 61.5-136.2 -58.1 127.1 27.0 30.0 -2.1 168 167 A P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.821 102.9 50.5 -60.2 -32.5 26.6 26.2 -2.0 169 168 A I H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.923 111.5 48.6 -70.0 -40.1 23.0 26.2 -3.3 170 169 A R H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 114.0 48.1 -59.0 -44.7 24.1 28.4 -6.2 171 170 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.918 112.4 47.1 -62.2 -44.4 27.0 26.0 -6.9 172 171 A G H X S+ 0 0 12 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.857 110.7 52.6 -66.5 -38.2 24.8 22.9 -6.7 173 172 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.941 111.2 46.5 -60.9 -49.0 22.2 24.5 -9.0 174 173 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.912 111.5 51.6 -62.6 -41.5 24.9 25.3 -11.5 175 174 A L H X S+ 0 0 17 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.948 113.8 43.8 -55.8 -50.2 26.4 21.8 -11.3 176 175 A N H X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.868 112.1 51.6 -70.3 -32.5 22.9 20.2 -11.9 177 176 A F H X S+ 0 0 8 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.894 108.8 52.1 -71.5 -34.5 22.0 22.6 -14.7 178 177 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.919 109.2 50.1 -63.2 -40.1 25.4 21.7 -16.4 179 178 A V H X>S+ 0 0 18 -4,-2.0 4,-3.2 2,-0.2 5,-0.5 0.916 108.0 53.7 -63.8 -39.9 24.4 18.0 -16.0 180 179 A F H X>S+ 0 0 3 -4,-2.5 5,-2.2 1,-0.2 4,-2.2 0.945 110.0 47.1 -57.6 -49.3 21.1 18.8 -17.6 181 180 A H H <5S+ 0 0 19 -4,-2.5 6,-3.2 3,-0.2 -1,-0.2 0.909 118.6 40.7 -59.9 -41.9 22.8 20.4 -20.6 182 181 A Y H <5S+ 0 0 90 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.926 127.9 27.1 -74.2 -44.1 25.3 17.5 -21.0 183 182 A E H <5S+ 0 0 104 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.751 134.0 20.5 -94.3 -28.2 22.9 14.5 -20.4 184 183 A I T < + 0 0 45 -6,-3.2 4,-2.2 -7,-0.2 3,-0.2 -0.560 20.8 159.0-128.8 64.7 24.4 20.6 -25.3 188 187 A P H > S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.843 76.0 55.2 -62.8 -32.4 27.8 19.5 -24.0 189 188 A E H > S+ 0 0 167 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 108.3 47.7 -65.7 -39.1 29.4 22.9 -24.9 190 189 A E H > S+ 0 0 104 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 112.0 52.5 -64.3 -39.5 26.8 24.7 -22.8 191 190 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.930 111.9 43.3 -58.3 -48.7 27.5 22.2 -20.0 192 191 A I H X S+ 0 0 44 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.932 114.3 50.9 -68.1 -42.6 31.3 22.8 -20.1 193 192 A S H X S+ 0 0 65 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.927 112.5 46.0 -61.0 -46.2 30.9 26.6 -20.4 194 193 A L H X S+ 0 0 19 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.935 114.0 47.1 -64.1 -45.0 28.6 26.8 -17.4 195 194 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.910 114.9 47.4 -65.7 -39.6 30.7 24.5 -15.2 196 195 A K H X S+ 0 0 111 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.953 113.8 45.0 -66.9 -49.2 33.9 26.4 -16.1 197 196 A T H X S+ 0 0 56 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.915 114.5 50.2 -60.0 -44.0 32.5 29.9 -15.5 198 197 A T H X S+ 0 0 18 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.942 112.5 47.0 -59.2 -46.6 30.8 28.7 -12.2 199 198 A F H X S+ 0 0 14 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.942 113.8 46.9 -58.3 -47.1 34.1 27.2 -11.0 200 199 A D H X S+ 0 0 63 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.879 112.0 49.2 -69.6 -39.7 36.2 30.2 -11.9 201 200 A E H X S+ 0 0 93 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.873 112.1 48.9 -70.9 -31.6 33.8 32.7 -10.4 202 201 A A H >X S+ 0 0 0 -4,-2.0 3,-1.7 -5,-0.3 4,-0.8 0.942 107.0 55.8 -70.7 -45.1 33.7 30.7 -7.1 203 202 A M H >< S+ 0 0 98 -4,-2.8 3,-1.1 1,-0.3 4,-0.4 0.902 105.3 52.4 -51.1 -44.0 37.5 30.4 -7.0 204 203 A A H 3< S+ 0 0 73 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.617 111.3 47.2 -68.6 -15.2 37.7 34.2 -7.1 205 204 A D H X< S+ 0 0 29 -3,-1.7 3,-1.7 -4,-0.5 -1,-0.2 0.420 83.4 93.1-102.9 -7.0 35.3 34.6 -4.2 206 205 A L G X< S+ 0 0 11 -3,-1.1 3,-2.1 -4,-0.8 -2,-0.1 0.826 72.6 69.7 -60.3 -30.7 36.9 32.0 -1.9 207 206 A H G 3 S+ 0 0 160 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.707 92.7 59.9 -62.7 -18.5 39.1 34.6 -0.1 208 207 A T G < S+ 0 0 80 -3,-1.7 -1,-0.3 2,-0.0 2,-0.2 0.525 91.6 94.5 -83.8 -7.7 35.9 36.1 1.5 209 208 A L S < S- 0 0 45 -3,-2.1 2,-0.0 -4,-0.2 -3,-0.0 -0.580 71.0-122.0 -96.6 147.7 35.0 32.8 3.3 210 209 A S > - 0 0 68 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.219 43.4 -96.5 -63.8 167.2 35.5 31.4 6.8 211 210 A E H > S+ 0 0 167 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.920 126.2 46.4 -54.4 -46.0 37.3 28.1 7.1 212 211 A D H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 113.1 45.9 -68.4 -45.2 33.9 26.3 7.4 213 212 A S H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.883 110.4 56.7 -62.6 -39.3 32.2 28.1 4.4 214 213 A Y H X S+ 0 0 113 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.925 106.8 48.5 -56.7 -46.0 35.4 27.4 2.4 215 214 A K H X S+ 0 0 139 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.927 111.6 49.6 -60.4 -44.7 35.1 23.7 3.0 216 215 A D H X S+ 0 0 84 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.929 116.9 40.9 -59.5 -48.6 31.4 23.7 2.0 217 216 A S H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.907 112.1 52.3 -68.5 -43.7 32.1 25.6 -1.3 218 217 A T H X S+ 0 0 44 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.838 102.6 60.9 -69.6 -28.9 35.3 23.8 -2.3 219 218 A L H X S+ 0 0 108 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.2 0.937 110.1 40.6 -59.2 -46.0 33.5 20.5 -1.9 220 219 A I H X S+ 0 0 26 -4,-1.2 4,-1.8 1,-0.2 -2,-0.2 0.878 110.3 58.1 -73.4 -33.0 31.0 21.4 -4.6 221 220 A M H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.880 101.9 56.2 -61.2 -34.9 33.7 23.1 -6.8 222 221 A Q H X S+ 0 0 88 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.899 104.1 53.3 -63.9 -38.0 35.5 19.7 -6.8 223 222 A L H X S+ 0 0 72 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.888 108.7 48.8 -60.8 -42.5 32.3 18.1 -8.2 224 223 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.939 113.1 47.9 -62.3 -42.8 32.3 20.8 -11.0 225 224 A R H X S+ 0 0 123 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.919 108.0 54.9 -63.2 -41.9 35.9 19.9 -11.6 226 225 A D H X S+ 0 0 72 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.899 111.2 45.5 -56.9 -42.5 35.2 16.2 -11.6 227 226 A N H X S+ 0 0 29 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.908 109.2 53.7 -69.1 -43.2 32.5 16.7 -14.4 228 227 A L H X S+ 0 0 26 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.870 109.8 49.2 -59.6 -36.8 34.8 19.0 -16.4 229 228 A T H < S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.858 111.9 48.0 -67.5 -37.7 37.4 16.2 -16.3 230 229 A L H < S+ 0 0 129 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.842 117.2 43.9 -67.6 -32.7 34.8 13.6 -17.4 231 230 A W H < 0 0 28 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.567 360.0 360.0 -94.3 -13.5 33.6 16.0 -20.2 232 231 A T < 0 0 142 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 0.210 360.0 360.0-122.0 360.0 36.9 17.2 -21.7