==== 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 4DHO . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.THIEL,L.ROEGLIN,O.KOHLBACHER,C.OTTMANN . 228 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 83.3 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 . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 73.2 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 0 2 0 0 1 0 1 0 0 2 0 1 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 -3 A A 0 0 137 0, 0.0 3,-0.2 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -0.8 -1.9 9.5 6.0 2 -2 A M > + 0 0 39 1,-0.1 3,-1.7 2,-0.1 8,-0.1 0.296 360.0 108.2-103.5 8.5 0.3 11.8 8.2 3 -1 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.1 32,-0.0 0, 0.0 0.758 77.0 50.5 -57.7 -27.2 -2.5 14.3 8.8 4 0 A S T 3 S+ 0 0 125 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.500 92.4 92.4 -92.5 -4.5 -2.9 13.3 12.4 5 1 A M S < S- 0 0 37 -3,-1.7 5,-0.1 1,-0.1 -3,-0.0 -0.778 82.4-108.0 -95.2 135.5 0.8 13.6 13.3 6 2 A E > - 0 0 142 -2,-0.4 4,-2.5 1,-0.1 3,-0.2 -0.257 23.2-124.1 -51.1 140.6 2.3 16.8 14.8 7 3 A R H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.915 113.0 50.0 -53.1 -47.2 4.6 18.8 12.4 8 4 A A H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.858 110.0 50.4 -64.1 -35.7 7.4 18.6 14.9 9 5 A S H > S+ 0 0 40 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.875 107.7 53.2 -70.6 -35.2 7.0 14.8 15.3 10 6 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.933 111.4 46.6 -61.9 -44.9 7.1 14.3 11.5 11 7 A I H X S+ 0 0 13 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.927 112.6 49.7 -63.9 -46.2 10.4 16.3 11.4 12 8 A Q H X S+ 0 0 123 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.943 112.5 47.2 -58.6 -46.8 11.8 14.3 14.3 13 9 A K H X S+ 0 0 85 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.845 106.7 57.5 -64.4 -31.7 10.8 11.0 12.7 14 10 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.924 107.9 48.1 -63.9 -40.6 12.3 12.1 9.3 15 11 A K H X S+ 0 0 73 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.873 112.4 48.1 -67.1 -39.9 15.6 12.6 11.1 16 12 A L H X S+ 0 0 93 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.936 110.2 52.0 -63.2 -44.3 15.3 9.1 12.8 17 13 A A H <>S+ 0 0 8 -4,-3.1 5,-3.2 1,-0.2 4,-0.4 0.875 106.7 54.0 -61.7 -37.4 14.4 7.5 9.4 18 14 A E H ><5S+ 0 0 73 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.937 108.9 48.1 -62.8 -43.5 17.5 9.1 7.9 19 15 A Q H 3<5S+ 0 0 149 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.848 114.0 47.2 -60.7 -34.3 19.7 7.6 10.6 20 16 A A T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.408 112.5-122.3 -87.1 -1.9 18.0 4.2 10.0 21 17 A E T < 5 + 0 0 145 -3,-1.3 2,-1.0 -4,-0.4 -3,-0.2 0.817 65.0 143.4 56.9 38.1 18.5 4.6 6.2 22 18 A R >< + 0 0 147 -5,-3.2 4,-2.3 1,-0.2 -1,-0.2 -0.668 16.5 166.0-104.7 76.1 14.7 4.3 5.8 23 19 A Y H > + 0 0 57 -2,-1.0 4,-2.6 1,-0.2 32,-0.2 0.812 69.0 56.2 -72.3 -30.0 14.3 6.8 3.0 24 20 A E H > S+ 0 0 159 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 113.3 43.7 -61.2 -45.5 10.8 5.9 1.9 25 21 A D H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.913 111.3 54.8 -64.6 -43.6 9.7 6.5 5.4 26 22 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.924 109.8 46.7 -56.0 -46.2 11.8 9.7 5.5 27 23 A A H X S+ 0 0 5 -4,-2.6 4,-2.9 24,-0.3 -1,-0.2 0.893 110.4 51.7 -64.3 -42.3 10.1 11.0 2.4 28 24 A A H X S+ 0 0 37 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.882 110.7 49.0 -63.3 -37.0 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 0.924 113.6 45.9 -66.4 -44.2 7.3 12.0 6.9 30 26 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.876 109.5 53.9 -69.1 -35.7 8.6 15.1 5.1 31 27 A K H X S+ 0 0 67 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.948 109.9 49.8 -58.0 -47.0 5.6 15.0 2.6 32 28 A G H X S+ 0 0 3 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.901 109.8 50.4 -54.5 -44.0 3.4 15.0 5.8 33 29 A A H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 5,-0.4 0.930 110.5 48.3 -62.5 -45.1 5.4 18.0 7.2 34 30 A V H >< S+ 0 0 8 -4,-2.7 3,-2.5 1,-0.3 -1,-0.2 0.926 105.0 60.9 -61.0 -41.3 5.1 20.0 3.9 35 31 A E H 3< S+ 0 0 104 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.624 82.9 79.4 -69.9 -7.4 1.3 19.2 3.9 36 32 A K T << S- 0 0 69 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.697 103.8-126.9 -66.6 -18.7 1.0 21.0 7.2 37 33 A G < + 0 0 69 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.256 67.9 120.0 98.3 -13.5 1.0 24.2 5.1 38 34 A E S S- 0 0 133 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.538 70.8-100.0 -82.8 151.5 3.8 26.1 6.9 39 35 A E - 0 0 113 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.225 40.5-116.8 -62.3 160.9 7.0 27.2 5.1 40 36 A L - 0 0 9 65,-0.1 -1,-0.1 1,-0.0 2,-0.0 -0.836 18.9-128.8-104.0 142.1 10.1 25.0 5.6 41 37 A S > - 0 0 50 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.252 36.0 -96.0 -74.6 170.4 13.3 26.1 7.3 42 38 A C H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.954 127.2 47.5 -52.8 -48.6 16.7 25.5 5.7 43 39 A E H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 112.7 48.9 -62.3 -40.1 17.2 22.3 7.7 44 40 A E H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.878 108.1 53.8 -69.5 -40.0 13.7 21.0 6.8 45 41 A R H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.912 108.8 50.7 -59.0 -42.1 14.2 21.8 3.0 46 42 A N H X S+ 0 0 74 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.904 107.9 51.4 -65.8 -37.6 17.4 19.7 3.2 47 43 A L H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.913 110.2 50.6 -62.4 -42.1 15.5 16.8 4.9 48 44 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.927 113.1 45.0 -57.7 -48.5 12.9 16.9 2.1 49 45 A S H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.924 112.6 49.3 -66.1 -45.3 15.6 16.9 -0.6 50 46 A V H X S+ 0 0 41 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.926 111.5 51.3 -59.5 -41.4 17.7 14.1 0.9 51 47 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -24,-0.3 0.963 115.8 38.2 -63.3 -55.7 14.6 11.9 1.4 52 48 A Y H X S+ 0 0 13 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.836 111.9 57.4 -68.8 -32.4 13.3 12.2 -2.1 53 49 A K H X S+ 0 0 118 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.894 110.2 45.9 -65.5 -36.6 16.8 12.1 -3.8 54 50 A N H X S+ 0 0 64 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.902 114.8 47.1 -70.9 -38.8 17.4 8.7 -2.1 55 51 A V H X S+ 0 0 30 -4,-2.1 4,-1.6 -32,-0.2 -2,-0.2 0.964 118.1 39.3 -65.4 -53.1 14.0 7.3 -3.0 56 52 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.838 111.5 61.8 -67.8 -30.9 14.1 8.4 -6.7 57 53 A G H X S+ 0 0 24 -4,-1.7 4,-2.5 -5,-0.4 -1,-0.2 0.937 103.2 47.4 -59.5 -48.0 17.8 7.4 -6.7 58 54 A G H X S+ 0 0 49 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.894 114.5 48.7 -57.1 -41.5 17.0 3.8 -6.0 59 55 A Q H X S+ 0 0 30 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.901 111.0 48.7 -66.0 -41.2 14.3 3.9 -8.7 60 56 A R H X S+ 0 0 41 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.909 110.9 50.9 -70.1 -38.2 16.6 5.5 -11.3 61 57 A A H X S+ 0 0 57 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.916 113.7 45.0 -63.1 -43.0 19.4 2.9 -10.6 62 58 A A H X S+ 0 0 37 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.919 111.0 52.8 -67.4 -43.6 16.9 0.1 -11.0 63 59 A W H X S+ 0 0 39 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.880 108.4 51.6 -58.6 -39.6 15.4 1.6 -14.1 64 60 A R H X S+ 0 0 119 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.925 109.6 48.8 -65.0 -42.4 18.8 1.8 -15.7 65 61 A V H X S+ 0 0 88 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.944 116.0 43.8 -58.9 -49.0 19.6 -1.8 -14.9 66 62 A L H X S+ 0 0 22 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.898 110.9 52.9 -68.3 -42.3 16.2 -2.9 -16.4 67 63 A S H X S+ 0 0 25 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.868 109.4 51.0 -59.0 -39.6 16.5 -0.6 -19.5 68 64 A S H X S+ 0 0 62 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.944 111.4 46.2 -63.7 -50.3 19.9 -2.1 -20.3 69 65 A I H X S+ 0 0 81 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.901 113.5 51.2 -57.1 -43.3 18.6 -5.6 -20.0 70 66 A E H X S+ 0 0 17 -4,-2.7 4,-0.5 2,-0.2 -2,-0.2 0.922 109.3 48.3 -63.1 -44.1 15.6 -4.7 -22.2 71 67 A Q H >< S+ 0 0 122 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.889 111.1 50.2 -72.7 -34.9 17.7 -3.1 -24.9 72 68 A K H 3< S+ 0 0 168 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.809 107.5 55.1 -66.5 -28.7 20.0 -6.1 -25.1 73 69 A S H 3< 0 0 80 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.620 360.0 360.0 -72.6 -11.4 16.9 -8.3 -25.4 74 70 A N << 0 0 143 -3,-0.8 -3,-0.0 -4,-0.5 -4,-0.0 -0.473 360.0 360.0-102.1 360.0 15.9 -6.1 -28.4 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 78 A G 0 0 104 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-170.8 8.6 -12.5 -23.7 77 79 A P > + 0 0 52 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.509 360.0 97.6 -81.7 -1.5 7.0 -9.3 -22.4 78 80 A E H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.834 80.0 47.7 -64.3 -42.3 8.5 -9.6 -18.8 79 81 A V H > S+ 0 0 44 -3,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.960 116.5 44.4 -64.2 -48.2 11.5 -7.3 -19.0 80 82 A R H > S+ 0 0 102 -4,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.915 113.8 51.9 -58.3 -44.9 9.5 -4.5 -20.6 81 83 A E H X S+ 0 0 97 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.917 112.9 42.8 -60.9 -44.1 6.7 -5.1 -18.2 82 84 A Y H X S+ 0 0 121 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.884 112.9 52.3 -74.4 -36.4 8.9 -4.9 -15.1 83 85 A R H X S+ 0 0 34 -4,-3.0 4,-2.9 -5,-0.2 -2,-0.2 0.929 110.9 49.2 -59.2 -45.7 10.8 -1.8 -16.5 84 86 A E H X S+ 0 0 72 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.872 108.8 53.3 -60.5 -37.0 7.4 -0.1 -17.1 85 87 A K H X S+ 0 0 118 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.946 113.1 42.1 -62.9 -48.2 6.4 -1.0 -13.5 86 88 A V H X S+ 0 0 11 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.930 113.7 53.9 -66.0 -44.3 9.5 0.6 -12.1 87 89 A E H X S+ 0 0 29 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.901 108.3 49.1 -53.9 -44.2 9.1 3.5 -14.5 88 90 A T H X S+ 0 0 87 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.893 111.0 48.9 -67.6 -36.1 5.6 4.2 -13.4 89 91 A E H X S+ 0 0 103 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.909 111.8 50.0 -71.7 -37.7 6.6 4.2 -9.7 90 92 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.926 110.1 50.3 -62.5 -46.9 9.4 6.5 -10.5 91 93 A Q H X S+ 0 0 59 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.881 107.8 54.6 -58.2 -39.2 7.0 8.8 -12.3 92 94 A G H X S+ 0 0 33 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.904 108.0 47.9 -62.5 -41.5 4.7 8.8 -9.4 93 95 A V H X S+ 0 0 23 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.944 112.8 48.7 -66.9 -43.9 7.4 9.9 -7.0 94 96 A C H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.922 111.2 49.7 -61.2 -44.5 8.5 12.7 -9.3 95 97 A D H X S+ 0 0 96 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.849 109.4 53.4 -59.5 -35.3 4.8 13.8 -9.7 96 98 A T H X S+ 0 0 52 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.927 111.5 44.3 -64.4 -48.6 4.5 13.8 -5.9 97 99 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.937 113.2 49.8 -63.9 -47.2 7.5 16.0 -5.4 98 100 A L H X S+ 0 0 18 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.884 109.3 54.5 -59.5 -36.6 6.4 18.4 -8.2 99 101 A G H X S+ 0 0 34 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.895 106.6 49.0 -62.8 -39.9 3.0 18.5 -6.6 100 102 A L H <>S+ 0 0 10 -4,-1.9 5,-1.8 2,-0.2 -1,-0.2 0.890 112.0 50.2 -67.2 -40.7 4.5 19.5 -3.2 101 103 A L H <>S+ 0 0 2 -4,-2.4 5,-2.5 1,-0.2 6,-0.5 0.906 116.5 40.5 -63.7 -39.2 6.5 22.2 -5.0 102 104 A D H <5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.699 105.4 71.1 -81.1 -20.9 3.4 23.5 -6.8 103 105 A S T <5S- 0 0 64 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.599 131.4 -57.6-133.2 74.5 1.1 23.2 -3.9 104 106 A H T >5S+ 0 0 108 -3,-0.4 4,-1.5 -2,-0.2 -3,-0.2 -0.685 110.4 97.7-146.7 38.6 2.4 25.5 -2.4 105 107 A L H >4 S- 0 0 125 1,-0.1 4,-2.9 4,-0.0 3,-0.3 -0.578 82.1-123.8 -81.5 147.7 13.7 34.5 0.1 112 114 A A H > S+ 0 0 24 -2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.900 108.4 55.8 -57.8 -41.3 16.3 33.7 -2.5 113 115 A E H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.878 115.6 38.0 -61.0 -38.7 17.7 30.7 -0.6 114 116 A S H > S+ 0 0 10 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.934 117.7 47.9 -79.7 -45.2 14.2 29.1 -0.4 115 117 A R H X S+ 0 0 63 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.929 114.6 45.9 -63.5 -44.0 13.0 30.0 -3.9 116 118 A V H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.914 111.5 53.7 -63.6 -41.6 16.3 28.9 -5.6 117 119 A F H X S+ 0 0 16 -4,-1.4 4,-2.2 -5,-0.4 -2,-0.2 0.935 113.0 42.0 -55.8 -48.5 16.2 25.6 -3.6 118 120 A Y H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.869 113.2 51.4 -74.4 -33.9 12.7 24.8 -4.7 119 121 A L H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.875 109.4 51.8 -70.7 -36.7 13.2 25.8 -8.3 120 122 A K H X S+ 0 0 34 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.938 109.7 49.9 -57.9 -47.1 16.3 23.6 -8.5 121 123 A M H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.915 108.8 51.9 -58.7 -42.9 14.2 20.7 -7.1 122 124 A K H X S+ 0 0 61 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.937 111.2 47.3 -59.4 -44.6 11.6 21.4 -9.7 123 125 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 112.0 51.1 -59.6 -44.4 14.3 21.3 -12.5 124 126 A D H X S+ 0 0 6 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.918 111.4 45.5 -63.8 -44.6 15.7 18.0 -11.0 125 127 A Y H X S+ 0 0 3 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.855 113.1 48.9 -74.1 -33.0 12.4 16.2 -10.8 126 128 A Y H X S+ 0 0 59 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.862 109.9 55.0 -63.9 -38.2 11.4 17.2 -14.4 127 129 A R H X S+ 0 0 10 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.908 106.6 49.1 -60.1 -41.3 14.9 16.0 -15.3 128 130 A Y H X S+ 0 0 8 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.899 111.0 50.3 -68.2 -36.3 14.2 12.6 -13.8 129 131 A L H >X S+ 0 0 15 -4,-2.0 3,-1.0 1,-0.2 4,-0.7 0.916 108.2 54.1 -62.3 -40.4 10.9 12.5 -15.7 130 132 A A H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.832 96.7 65.5 -62.7 -32.2 12.8 13.4 -18.9 131 133 A E H 3< S+ 0 0 38 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.796 114.4 30.6 -59.4 -29.3 15.3 10.5 -18.4 132 134 A V H << S+ 0 0 8 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.403 99.3 106.5-109.7 1.2 12.4 8.0 -18.9 133 135 A A << - 0 0 11 -4,-0.7 2,-0.4 -3,-0.7 -3,-0.0 -0.472 54.2-147.1 -83.6 150.9 10.2 10.1 -21.3 134 136 A T > - 0 0 120 -2,-0.2 4,-0.7 0, 0.0 2,-0.4 -0.948 45.0 -31.2-122.6 143.6 9.8 9.4 -25.0 135 137 A G T 4 S- 0 0 50 -2,-0.4 4,-0.1 1,-0.2 -2,-0.1 -0.495 111.2 -15.4 81.9-119.8 9.2 11.6 -28.1 136 138 A D T >> S+ 0 0 112 -2,-0.4 3,-3.8 2,-0.2 4,-1.2 0.890 128.0 60.3 -90.7 -65.5 7.2 14.8 -28.0 137 139 A D H >> S+ 0 0 93 1,-0.3 4,-1.1 -3,-0.2 3,-0.5 0.865 106.3 60.4 -20.8 -51.7 5.4 14.6 -24.7 138 140 A K H 3X S+ 0 0 56 -4,-0.7 4,-2.2 1,-0.2 -1,-0.3 0.694 92.9 59.6 -47.4 -41.3 9.1 14.5 -23.8 139 141 A K H <> S+ 0 0 141 -3,-3.8 4,-2.5 1,-0.2 -1,-0.2 0.902 104.8 49.6 -64.3 -39.2 10.0 17.9 -25.3 140 142 A R H - 0 0 62 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.378 38.6-108.3 -69.6 157.2 27.4 35.0 -3.9 162 164 A P T 3 S+ 0 0 33 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.668 117.8 53.7 -63.0 -15.5 29.1 32.7 -6.5 163 165 A T T 3 S+ 0 0 4 35,-0.1 55,-0.1 36,-0.1 5,-0.1 0.479 72.9 126.2 -95.3 -2.7 30.3 30.3 -3.7 164 166 A N <> - 0 0 19 -3,-2.0 4,-2.5 1,-0.1 5,-0.2 -0.349 62.0-135.6 -58.2 128.1 26.8 29.8 -2.1 165 167 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.818 103.3 51.5 -61.5 -29.1 26.4 25.9 -2.0 166 168 A I H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.938 111.7 47.2 -69.8 -44.1 22.8 26.1 -3.3 167 169 A R H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 114.3 48.2 -58.1 -45.3 23.9 28.2 -6.2 168 170 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.909 112.5 47.4 -62.6 -45.5 26.8 25.8 -6.8 169 171 A G H X S+ 0 0 12 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.866 111.0 51.9 -64.9 -37.3 24.6 22.7 -6.7 170 172 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.939 111.5 46.4 -62.3 -46.3 22.1 24.3 -9.0 171 173 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.922 111.4 52.3 -66.2 -40.6 24.8 25.1 -11.5 172 174 A L H X S+ 0 0 18 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.949 113.7 43.0 -55.2 -51.2 26.2 21.6 -11.2 173 175 A N H X S+ 0 0 26 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.863 111.8 52.6 -69.6 -33.1 22.8 20.0 -11.8 174 176 A F H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.867 108.0 52.4 -70.6 -33.4 21.9 22.3 -14.7 175 177 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.906 109.5 49.4 -65.0 -40.6 25.2 21.4 -16.3 176 178 A V H X>S+ 0 0 19 -4,-2.0 4,-3.2 2,-0.2 5,-0.5 0.920 108.2 53.9 -63.6 -39.9 24.2 17.8 -16.0 177 179 A F H X>S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 5,-2.1 0.955 110.2 46.8 -57.1 -49.5 20.9 18.6 -17.5 178 180 A H H <5S+ 0 0 17 -4,-2.4 6,-3.2 3,-0.2 -1,-0.2 0.907 118.3 41.3 -61.2 -41.4 22.6 20.2 -20.5 179 181 A Y H <5S+ 0 0 91 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.925 127.8 26.9 -73.4 -44.4 25.1 17.2 -21.0 180 182 A E H <5S+ 0 0 100 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.730 133.7 21.9 -93.1 -27.1 22.7 14.3 -20.4 181 183 A I T < + 0 0 45 -6,-3.2 4,-2.2 -7,-0.2 3,-0.2 -0.556 20.0 158.6-125.8 63.1 24.2 20.3 -25.2 185 187 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.825 75.5 55.3 -60.8 -32.0 27.7 19.2 -24.0 186 188 A E H > S+ 0 0 166 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.918 108.7 46.7 -67.4 -42.4 29.3 22.6 -24.9 187 189 A E H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.889 112.8 52.3 -61.6 -38.8 26.7 24.5 -22.8 188 190 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.932 112.2 43.7 -60.0 -48.9 27.4 21.9 -20.0 189 191 A I H X S+ 0 0 44 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.917 114.2 50.4 -66.6 -43.1 31.1 22.4 -20.1 190 192 A S H X S+ 0 0 66 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.911 113.1 46.4 -62.1 -43.5 30.8 26.3 -20.3 191 193 A L H X S+ 0 0 20 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.945 113.7 46.2 -65.6 -45.9 28.5 26.4 -17.4 192 194 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.907 115.4 48.6 -63.9 -40.5 30.6 24.1 -15.2 193 195 A K H X S+ 0 0 103 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.949 113.8 43.5 -61.5 -55.3 33.8 26.1 -16.1 194 196 A T H X S+ 0 0 57 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.915 114.6 50.8 -61.1 -43.6 32.4 29.6 -15.5 195 197 A T H X S+ 0 0 15 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.936 111.8 47.5 -60.5 -43.6 30.7 28.4 -12.2 196 198 A F H X S+ 0 0 17 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.933 113.9 47.0 -63.3 -45.4 34.0 26.9 -11.0 197 199 A D H X S+ 0 0 68 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.892 112.2 47.6 -68.8 -40.1 36.0 29.9 -11.9 198 200 A E H X S+ 0 0 87 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.881 112.9 50.0 -73.1 -30.7 33.7 32.5 -10.4 199 201 A A H >X S+ 0 0 0 -4,-2.0 3,-1.6 -5,-0.3 4,-1.0 0.939 107.4 54.2 -67.4 -48.0 33.5 30.4 -7.2 200 202 A M H >< S+ 0 0 90 -4,-2.7 3,-1.0 1,-0.3 4,-0.4 0.921 106.4 52.9 -48.9 -46.0 37.3 30.1 -7.0 201 203 A A H 3< S+ 0 0 72 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.639 111.1 46.7 -65.6 -15.6 37.6 33.9 -7.1 202 204 A D H X< S+ 0 0 30 -3,-1.6 3,-1.8 -4,-0.5 -1,-0.2 0.470 83.7 92.8-106.8 -6.6 35.1 34.3 -4.2 203 205 A L G X< S+ 0 0 11 -3,-1.0 3,-2.0 -4,-1.0 -1,-0.1 0.807 72.4 70.3 -57.6 -31.6 36.7 31.7 -1.8 204 206 A H G 3 S+ 0 0 158 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.688 91.8 59.9 -62.5 -17.7 38.8 34.3 -0.1 205 207 A T G < S+ 0 0 79 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.508 92.0 97.6 -85.7 -8.1 35.7 35.8 1.5 206 208 A L < - 0 0 45 -3,-2.0 2,-0.1 -4,-0.2 -3,-0.0 -0.560 69.4-127.1 -94.5 147.4 34.8 32.6 3.3 207 209 A S > - 0 0 68 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.267 43.9 -95.5 -69.4 171.0 35.3 31.2 6.8 208 210 A E H > S+ 0 0 165 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.879 125.1 45.8 -59.9 -43.2 37.0 27.8 7.1 209 211 A D H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 113.6 47.3 -71.8 -42.4 33.6 26.0 7.3 210 212 A S H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 110.2 55.4 -59.7 -42.8 32.0 27.8 4.4 211 213 A Y H X S+ 0 0 114 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.910 106.9 49.2 -56.9 -43.2 35.2 27.2 2.4 212 214 A K H X S+ 0 0 121 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.931 111.3 50.1 -63.3 -43.9 34.8 23.4 3.1 213 215 A D H X S+ 0 0 85 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.922 115.9 41.2 -57.9 -49.2 31.2 23.5 2.0 214 216 A S H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 3,-0.2 0.918 111.7 52.3 -70.4 -43.0 31.9 25.3 -1.3 215 217 A T H X S+ 0 0 44 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.814 102.0 62.1 -67.9 -28.8 35.0 23.5 -2.3 216 218 A L H X S+ 0 0 91 -4,-1.6 4,-1.2 -5,-0.2 -1,-0.2 0.937 110.4 39.7 -56.5 -49.8 33.2 20.2 -1.9 217 219 A I H X S+ 0 0 24 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.879 110.6 57.7 -70.8 -36.3 30.7 21.2 -4.6 218 220 A M H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.879 102.6 56.4 -59.5 -34.5 33.5 22.8 -6.8 219 221 A Q H X S+ 0 0 88 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.893 104.1 52.8 -66.6 -35.9 35.2 19.4 -6.8 220 222 A L H X S+ 0 0 70 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.906 109.0 49.3 -63.1 -42.6 32.0 17.8 -8.2 221 223 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.934 112.1 48.5 -58.5 -45.6 32.1 20.5 -11.0 222 224 A R H X S+ 0 0 117 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.913 108.1 54.4 -61.2 -42.5 35.8 19.6 -11.6 223 225 A D H X S+ 0 0 74 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.906 110.4 46.6 -57.6 -45.9 35.0 15.9 -11.6 224 226 A N H X S+ 0 0 31 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.919 110.1 52.1 -61.9 -45.9 32.3 16.4 -14.4 225 227 A L H X S+ 0 0 27 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.854 110.0 50.1 -59.8 -34.0 34.7 18.6 -16.4 226 228 A T H < S+ 0 0 101 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.888 112.5 46.2 -70.4 -41.2 37.2 15.9 -16.2 227 229 A L H < S+ 0 0 131 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.830 117.6 45.0 -65.7 -33.1 34.7 13.3 -17.4 228 230 A W H < 0 0 24 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.544 360.0 360.0 -94.7 -12.6 33.5 15.7 -20.2 229 231 A T < 0 0 143 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.203 360.0 360.0-123.2 360.0 36.8 16.9 -21.6