==== 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 4DHS . 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) . 12639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 82.5 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 72.8 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 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 0 139 0, 0.0 3,-0.3 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -8.1 -1.8 9.3 6.2 2 -2 A M > + 0 0 43 1,-0.2 3,-1.7 2,-0.1 8,-0.1 0.351 360.0 105.9-101.1 7.1 0.3 11.8 8.2 3 -1 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.2 32,-0.0 0, 0.0 0.786 79.4 48.9 -55.4 -28.4 -2.6 14.2 8.8 4 0 A S T 3 S+ 0 0 121 -3,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.521 92.4 92.9 -93.1 -5.2 -2.9 13.2 12.5 5 1 A M S < S- 0 0 37 -3,-1.7 5,-0.1 1,-0.1 -3,-0.0 -0.783 82.2-109.7 -92.7 134.2 0.8 13.5 13.3 6 2 A E > - 0 0 144 -2,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.253 23.6-122.8 -52.0 143.2 2.3 16.8 14.8 7 3 A R H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.911 113.6 50.3 -52.9 -48.0 4.6 18.7 12.4 8 4 A A H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.855 109.6 50.9 -63.7 -34.3 7.4 18.6 14.9 9 5 A S H > S+ 0 0 42 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.888 107.9 53.1 -71.4 -37.5 7.0 14.8 15.4 10 6 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.923 111.5 46.2 -59.8 -46.5 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 0.932 112.7 49.6 -62.8 -47.2 10.4 16.3 11.4 12 8 A Q H X S+ 0 0 123 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.933 112.7 47.0 -57.2 -47.3 11.8 14.3 14.3 13 9 A K H X S+ 0 0 86 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.864 106.7 57.8 -66.4 -33.4 10.8 11.0 12.7 14 10 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.928 108.0 47.9 -58.8 -42.2 12.3 12.1 9.3 15 11 A K H X S+ 0 0 75 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.894 112.5 48.4 -66.4 -40.6 15.7 12.6 11.1 16 12 A L H X S+ 0 0 91 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.935 110.4 50.9 -60.7 -46.7 15.3 9.1 12.7 17 13 A A H <>S+ 0 0 7 -4,-3.1 5,-3.2 1,-0.2 4,-0.3 0.879 107.6 54.0 -61.2 -38.9 14.5 7.5 9.4 18 14 A E H ><5S+ 0 0 71 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.2 0.938 109.2 47.8 -61.1 -44.4 17.5 9.2 7.9 19 15 A Q H 3<5S+ 0 0 153 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.862 114.3 46.7 -60.9 -36.5 19.7 7.6 10.6 20 16 A A T 3<5S- 0 0 69 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.363 112.9-121.9 -84.5 0.2 18.1 4.2 10.0 21 17 A E T < 5 + 0 0 145 -3,-1.4 2,-1.0 -4,-0.3 -3,-0.2 0.814 65.3 142.9 53.4 40.0 18.5 4.6 6.2 22 18 A R >< + 0 0 146 -5,-3.2 4,-2.4 1,-0.2 -1,-0.2 -0.702 17.1 166.6-106.7 77.8 14.8 4.3 5.8 23 19 A Y H > + 0 0 54 -2,-1.0 4,-2.6 1,-0.2 32,-0.2 0.792 70.0 55.5 -74.0 -31.6 14.4 6.8 3.0 24 20 A E H > S+ 0 0 154 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.935 112.9 44.6 -61.9 -45.2 10.9 5.9 1.8 25 21 A D H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.926 111.4 53.6 -61.7 -44.1 9.8 6.5 5.4 26 22 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.926 110.2 47.1 -57.1 -44.1 11.8 9.7 5.6 27 23 A A H X S+ 0 0 5 -4,-2.6 4,-2.9 24,-0.2 -1,-0.2 0.905 110.9 50.7 -65.1 -44.2 10.1 11.0 2.4 28 24 A A H X S+ 0 0 39 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.890 111.5 48.8 -61.6 -38.8 6.6 10.1 3.7 29 25 A F H X S+ 0 0 32 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.936 113.9 45.7 -65.7 -46.4 7.4 12.0 7.0 30 26 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.875 109.4 54.3 -66.4 -34.2 8.7 15.0 5.1 31 27 A K H X S+ 0 0 71 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.932 109.7 49.9 -59.5 -48.8 5.7 14.9 2.6 32 28 A G H < S+ 0 0 3 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.904 110.1 50.0 -54.6 -45.0 3.4 15.0 5.8 33 29 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 5,-0.4 0.924 110.5 48.8 -60.2 -47.5 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 0.924 104.9 59.9 -56.3 -45.2 5.1 19.9 3.9 35 31 A E T 3< S+ 0 0 109 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.587 82.8 80.0 -68.7 -6.9 1.4 19.2 3.9 36 32 A K T < S- 0 0 72 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.687 103.4-128.7 -66.1 -18.8 1.0 21.0 7.2 37 33 A G < + 0 0 68 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.330 66.9 121.8 94.2 -10.2 1.1 24.1 5.0 38 34 A E S S- 0 0 133 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.563 70.9 -99.9 -84.1 151.3 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 -0.271 40.8-114.5 -62.8 161.2 7.0 27.1 5.1 40 36 A L - 0 0 9 65,-0.1 -1,-0.1 1,-0.0 2,-0.0 -0.809 20.4-130.1-102.8 139.8 10.1 24.9 5.6 41 37 A S > - 0 0 52 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.270 36.2 -95.1 -72.7 173.9 13.2 26.1 7.4 42 38 A X H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.943 127.2 46.7 -54.0 -49.3 16.7 25.6 5.8 43 39 A E H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 112.4 49.2 -64.3 -40.8 17.2 22.3 7.7 44 40 A E H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 108.0 54.1 -69.7 -37.2 13.8 21.0 6.8 45 41 A R H X S+ 0 0 29 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.906 108.6 50.3 -59.5 -43.2 14.3 21.8 3.1 46 42 A N H X S+ 0 0 78 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.903 108.1 51.7 -65.2 -35.6 17.4 19.8 3.2 47 43 A L H X S+ 0 0 11 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.916 110.1 50.2 -64.7 -40.9 15.6 16.9 4.9 48 44 A L H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.925 113.2 45.3 -59.6 -48.1 13.0 17.0 2.1 49 45 A S H X S+ 0 0 22 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.915 112.6 49.6 -64.6 -46.5 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 0.921 111.3 50.8 -57.3 -45.2 17.7 14.2 1.0 51 47 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -24,-0.2 0.969 116.2 38.1 -61.7 -55.7 14.7 11.9 1.4 52 48 A Y H X S+ 0 0 14 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.855 111.8 57.4 -68.5 -32.5 13.4 12.2 -2.1 53 49 A K H X S+ 0 0 119 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.891 110.2 45.8 -64.8 -38.0 16.8 12.1 -3.8 54 50 A N H X S+ 0 0 66 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.915 114.4 47.4 -69.7 -42.4 17.5 8.8 -2.1 55 51 A V H X S+ 0 0 19 -4,-2.3 4,-1.7 -32,-0.2 -2,-0.2 0.966 118.2 39.8 -61.9 -53.2 14.2 7.3 -3.0 56 52 A V H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.863 110.7 60.3 -66.6 -32.7 14.3 8.5 -6.6 57 53 A G H X S+ 0 0 26 -4,-2.0 4,-2.3 -5,-0.4 -1,-0.2 0.923 105.0 48.5 -61.2 -43.1 18.0 7.6 -6.8 58 54 A G H X S+ 0 0 47 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.902 113.5 47.6 -56.1 -44.0 17.2 3.9 -6.0 59 55 A Q H X S+ 0 0 30 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.887 111.5 49.6 -68.4 -41.9 14.4 3.9 -8.6 60 56 A R H X S+ 0 0 42 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.904 110.4 50.2 -65.0 -39.8 16.7 5.5 -11.3 61 57 A A H X S+ 0 0 57 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.939 114.1 45.4 -64.8 -44.6 19.5 2.9 -10.6 62 58 A A H X S+ 0 0 39 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.916 110.6 52.5 -63.9 -45.0 17.0 0.1 -10.9 63 59 A W H X S+ 0 0 38 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.891 109.0 51.9 -58.6 -38.5 15.4 1.6 -14.1 64 60 A R H X S+ 0 0 124 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.939 109.1 48.5 -66.4 -43.0 18.9 1.8 -15.7 65 61 A V H X S+ 0 0 89 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.937 116.3 43.7 -56.7 -51.3 19.7 -1.8 -14.9 66 62 A L H X S+ 0 0 24 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.889 112.1 51.6 -66.1 -40.7 16.3 -2.9 -16.4 67 63 A S H X S+ 0 0 22 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.887 109.8 51.5 -62.1 -39.2 16.5 -0.6 -19.5 68 64 A S H X S+ 0 0 62 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.936 111.6 45.7 -63.4 -48.2 20.0 -2.0 -20.2 69 65 A I H X S+ 0 0 81 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.911 113.8 50.3 -60.5 -42.9 18.6 -5.6 -20.0 70 66 A E H X S+ 0 0 14 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.925 109.3 49.9 -62.9 -45.9 15.7 -4.6 -22.2 71 67 A Q H >< S+ 0 0 115 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.902 110.9 49.9 -65.0 -39.3 17.8 -3.0 -24.8 72 68 A K H 3< S+ 0 0 171 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 108.1 54.0 -62.7 -35.8 20.1 -6.1 -24.9 73 69 A S H 3< 0 0 82 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.636 360.0 360.0 -73.2 -12.4 16.9 -8.3 -25.3 74 70 A N << 0 0 145 -3,-0.8 -3,-0.0 -4,-0.8 0, 0.0 -0.299 360.0 360.0-102.2 360.0 15.8 -6.2 -28.3 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 0 103 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-173.5 8.6 -12.4 -23.7 77 79 A P > + 0 0 54 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.463 360.0 98.3 -81.8 -3.2 7.1 -9.2 -22.3 78 80 A E H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.849 79.7 48.1 -62.7 -41.9 8.5 -9.6 -18.8 79 81 A V H > S+ 0 0 44 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.960 116.4 44.4 -65.5 -47.0 11.5 -7.3 -19.1 80 82 A R H > S+ 0 0 101 -4,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.918 113.3 51.8 -60.4 -44.4 9.5 -4.5 -20.6 81 83 A E H X S+ 0 0 98 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.914 113.3 42.9 -60.0 -44.1 6.6 -5.0 -18.1 82 84 A Y H X S+ 0 0 123 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.903 112.8 51.7 -73.7 -37.8 8.9 -4.8 -15.1 83 85 A R H X S+ 0 0 34 -4,-2.8 4,-3.1 -5,-0.2 -2,-0.2 0.938 111.2 49.7 -60.6 -43.3 10.9 -1.9 -16.5 84 86 A E H X S+ 0 0 72 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.875 108.6 52.9 -60.6 -37.7 7.5 -0.1 -17.0 85 87 A K H X S+ 0 0 115 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.950 113.0 42.5 -64.2 -49.4 6.5 -0.9 -13.4 86 88 A V H X S+ 0 0 11 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.931 114.4 52.5 -63.2 -43.4 9.6 0.6 -12.0 87 89 A E H X S+ 0 0 30 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.900 108.7 49.5 -57.2 -44.1 9.3 3.6 -14.5 88 90 A T H X S+ 0 0 86 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.880 111.2 48.9 -66.2 -38.4 5.7 4.2 -13.4 89 91 A E H X S+ 0 0 103 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.913 111.2 50.0 -69.1 -40.2 6.7 4.2 -9.7 90 92 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.908 110.6 50.2 -58.8 -46.9 9.6 6.6 -10.4 91 93 A Q H X S+ 0 0 58 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.872 107.7 54.2 -60.3 -40.7 7.2 8.9 -12.3 92 94 A G H X S+ 0 0 31 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.911 108.3 48.2 -60.0 -42.3 4.8 8.8 -9.3 93 95 A V H X S+ 0 0 24 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.947 113.3 48.2 -64.0 -47.3 7.6 9.9 -6.9 94 96 A C H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.916 111.5 49.2 -60.5 -45.2 8.6 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 0.855 109.8 53.3 -60.8 -37.5 5.0 13.8 -9.7 96 98 A T H X S+ 0 0 51 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.930 111.7 44.0 -61.6 -47.9 4.6 13.7 -5.9 97 99 A V H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 3,-0.2 0.952 113.7 50.1 -63.7 -46.5 7.6 16.0 -5.4 98 100 A L H X S+ 0 0 17 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.882 109.2 53.6 -60.6 -33.9 6.5 18.3 -8.2 99 101 A G H X S+ 0 0 34 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.884 106.9 49.9 -65.2 -38.5 3.1 18.5 -6.6 100 102 A L H <>S+ 0 0 7 -4,-1.9 5,-1.7 -3,-0.2 -2,-0.2 0.901 112.2 49.3 -67.8 -39.8 4.5 19.5 -3.2 101 103 A L H <>S+ 0 0 2 -4,-2.6 5,-2.5 1,-0.2 6,-0.5 0.902 116.5 40.9 -65.5 -39.9 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 0.664 105.8 70.9 -81.1 -17.5 3.5 23.5 -6.9 103 105 A S T <5S- 0 0 62 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.622 131.3 -57.9-137.8 75.1 1.1 23.2 -3.8 104 106 A H T >5S+ 0 0 111 -3,-0.4 4,-1.4 -2,-0.2 -3,-0.2 -0.727 110.6 97.5-145.9 37.3 2.4 25.5 -2.4 105 107 A L H >4 S- 0 0 127 1,-0.1 4,-3.0 4,-0.0 5,-0.3 -0.538 81.8-123.5 -76.7 144.5 13.7 34.5 0.2 112 114 A A H > S+ 0 0 25 -2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.907 109.1 55.4 -48.4 -47.5 16.4 33.7 -2.4 113 115 A E H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 115.6 37.8 -62.9 -36.8 17.7 30.7 -0.5 114 116 A S H > S+ 0 0 8 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.934 117.7 47.5 -77.9 -44.9 14.3 29.1 -0.4 115 117 A R H X S+ 0 0 62 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.934 114.3 46.5 -65.8 -42.7 13.0 30.0 -3.8 116 118 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.921 111.6 53.2 -61.2 -44.2 16.3 28.9 -5.5 117 119 A F H X S+ 0 0 15 -4,-1.4 4,-2.2 -5,-0.4 -2,-0.2 0.925 113.1 42.1 -56.5 -49.1 16.3 25.6 -3.6 118 120 A Y H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.870 113.6 50.9 -72.8 -36.3 12.7 24.8 -4.6 119 121 A L H X S+ 0 0 3 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.875 109.7 51.3 -67.7 -38.5 13.1 25.8 -8.3 120 122 A K H X S+ 0 0 32 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.923 109.7 50.4 -57.7 -47.0 16.3 23.7 -8.5 121 123 A M H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.899 108.2 52.5 -56.9 -42.8 14.3 20.8 -7.1 122 124 A K H X S+ 0 0 61 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.937 110.8 47.5 -59.0 -44.8 11.6 21.4 -9.7 123 125 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.918 112.1 50.6 -57.4 -45.7 14.4 21.3 -12.4 124 126 A D H X S+ 0 0 7 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.932 111.2 46.2 -64.2 -46.5 15.8 18.1 -10.9 125 127 A Y H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.851 113.1 48.1 -71.5 -32.2 12.5 16.2 -10.8 126 128 A Y H X S+ 0 0 58 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.876 109.9 55.6 -67.5 -34.6 11.5 17.2 -14.3 127 129 A R H X S+ 0 0 11 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.911 106.6 49.2 -61.8 -41.7 15.0 16.1 -15.3 128 130 A Y H X S+ 0 0 8 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.911 111.1 50.0 -66.3 -39.2 14.3 12.6 -13.7 129 131 A L H >X S+ 0 0 13 -4,-2.0 3,-0.9 1,-0.2 4,-0.8 0.909 108.8 53.6 -59.3 -41.8 11.0 12.5 -15.7 130 132 A A H 3< S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.830 97.0 64.7 -64.0 -30.3 12.9 13.4 -18.8 131 133 A E H 3< S+ 0 0 40 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.797 114.3 31.9 -62.7 -29.5 15.4 10.6 -18.4 132 134 A V H << S+ 0 0 8 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.446 100.6 100.0-106.8 -2.3 12.6 8.0 -18.9 133 135 A A < - 0 0 12 -4,-0.8 2,-0.3 -3,-0.4 -3,-0.0 -0.448 54.5-156.4 -82.0 152.3 10.4 10.0 -21.3 134 136 A T > - 0 0 113 -2,-0.1 4,-1.3 0, 0.0 3,-0.2 -0.870 45.8 -7.6-122.6 168.6 10.3 9.5 -25.1 135 137 A G T 4 S- 0 0 55 -2,-0.3 -2,-0.0 1,-0.2 4,-0.0 -0.173 111.8 -32.5 67.0-143.1 9.5 11.5 -28.2 136 138 A D T >> S+ 0 0 101 2,-0.2 3,-3.1 1,-0.2 4,-1.5 0.846 128.3 68.0 -91.2 -32.4 7.9 15.0 -28.0 137 139 A D H >> S+ 0 0 90 1,-0.3 4,-1.2 -3,-0.2 3,-0.6 0.950 103.6 57.7 -38.4 -47.7 5.8 14.5 -24.8 138 140 A K H 3X S+ 0 0 57 -4,-1.3 4,-2.2 1,-0.2 -1,-0.3 0.645 94.4 61.4 -42.6 -39.3 9.4 14.5 -23.7 139 141 A K H <> S+ 0 0 149 -3,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.899 103.1 48.9 -71.5 -37.7 10.1 17.9 -25.2 140 142 A R H - 0 0 62 0, 0.0 3,-1.8 0, 0.0 6,-0.2 -0.348 38.4-109.7 -72.2 156.9 27.4 35.1 -3.9 162 164 A P T 3 S+ 0 0 32 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.647 117.5 54.0 -66.4 -15.5 29.1 32.8 -6.4 163 165 A T T 3 S+ 0 0 4 35,-0.1 55,-0.1 36,-0.1 5,-0.1 0.488 73.6 126.8 -93.3 -4.4 30.3 30.5 -3.6 164 166 A N <> - 0 0 16 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 -0.298 60.9-137.5 -53.8 124.3 26.8 29.9 -2.1 165 167 A P H > S+ 0 0 48 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.832 102.7 51.5 -60.0 -32.1 26.4 26.1 -2.0 166 168 A I H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.934 111.8 47.4 -67.9 -42.6 22.8 26.2 -3.2 167 169 A R H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 114.2 48.4 -59.9 -43.6 23.9 28.4 -6.2 168 170 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.915 112.1 47.4 -64.0 -45.3 26.8 25.9 -6.8 169 171 A G H X S+ 0 0 13 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.867 110.8 52.8 -65.3 -35.7 24.6 22.8 -6.6 170 172 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.946 111.5 45.0 -64.6 -48.3 22.1 24.4 -8.9 171 173 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.912 111.5 53.3 -63.5 -40.2 24.7 25.2 -11.5 172 174 A L H X S+ 0 0 18 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.954 113.7 42.9 -52.5 -52.1 26.2 21.7 -11.1 173 175 A N H X S+ 0 0 27 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.860 112.1 51.8 -71.7 -34.3 22.8 20.1 -11.8 174 176 A F H X S+ 0 0 7 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.890 108.4 52.8 -68.4 -34.6 21.9 22.4 -14.6 175 177 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.922 109.1 49.4 -64.7 -39.9 25.2 21.6 -16.3 176 178 A V H X>S+ 0 0 17 -4,-2.1 4,-3.0 1,-0.2 5,-0.5 0.911 108.4 53.9 -63.3 -40.9 24.3 17.9 -15.9 177 179 A F H X>S+ 0 0 4 -4,-2.4 5,-2.1 1,-0.2 4,-2.0 0.936 110.1 47.2 -56.0 -49.6 20.9 18.7 -17.5 178 180 A H H <5S+ 0 0 17 -4,-2.6 6,-3.3 3,-0.2 -1,-0.2 0.908 118.0 41.0 -60.4 -42.3 22.7 20.3 -20.4 179 181 A Y H <5S+ 0 0 88 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.934 127.6 26.9 -72.9 -45.0 25.1 17.4 -20.9 180 182 A E H <5S+ 0 0 97 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.733 133.8 21.7 -93.6 -28.7 22.8 14.4 -20.3 181 183 A I T < + 0 0 46 -6,-3.3 4,-2.1 -7,-0.2 5,-0.1 -0.582 20.7 159.7-128.2 64.6 24.3 20.5 -25.2 185 187 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.823 74.7 55.9 -65.7 -28.1 27.7 19.4 -23.9 186 188 A E H > S+ 0 0 167 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.917 108.3 47.6 -66.4 -41.0 29.3 22.7 -24.8 187 189 A E H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.911 112.2 52.0 -61.7 -39.4 26.7 24.6 -22.7 188 190 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.931 112.4 43.4 -60.3 -47.9 27.4 22.1 -19.9 189 191 A I H X S+ 0 0 45 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.919 114.4 50.3 -67.7 -44.9 31.1 22.6 -20.0 190 192 A S H X S+ 0 0 64 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.929 112.9 46.3 -60.4 -44.6 30.8 26.4 -20.3 191 193 A L H X S+ 0 0 19 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.942 113.9 46.9 -65.5 -44.0 28.4 26.6 -17.3 192 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.910 115.0 47.5 -65.5 -40.4 30.6 24.3 -15.1 193 195 A K H X S+ 0 0 104 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.948 114.0 44.8 -66.7 -50.0 33.8 26.2 -16.0 194 196 A T H X S+ 0 0 57 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.903 114.7 50.0 -60.2 -43.9 32.4 29.7 -15.4 195 197 A T H X S+ 0 0 15 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.944 112.5 46.9 -59.4 -44.8 30.7 28.5 -12.2 196 198 A F H X S+ 0 0 15 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.943 114.5 46.3 -63.7 -46.3 33.9 27.0 -10.9 197 199 A D H X S+ 0 0 67 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.891 112.4 49.1 -68.6 -41.1 36.1 30.1 -11.8 198 200 A E H X S+ 0 0 91 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.901 112.9 48.2 -68.5 -34.9 33.7 32.6 -10.3 199 201 A A H >X S+ 0 0 0 -4,-2.3 3,-1.6 -5,-0.3 4,-0.9 0.944 107.7 55.3 -68.1 -45.1 33.5 30.6 -7.1 200 202 A M H >< S+ 0 0 95 -4,-2.8 3,-1.1 1,-0.3 4,-0.3 0.920 106.0 52.0 -52.6 -43.5 37.3 30.3 -6.9 201 203 A A H 3< S+ 0 0 75 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.617 111.6 47.2 -68.4 -14.4 37.6 34.1 -7.1 202 204 A D H X< S+ 0 0 30 -3,-1.6 3,-1.7 -4,-0.6 -1,-0.2 0.443 84.0 92.6-106.3 -5.6 35.1 34.5 -4.2 203 205 A L G X< S+ 0 0 13 -3,-1.1 3,-2.1 -4,-0.9 -2,-0.1 0.822 72.3 70.6 -58.5 -32.0 36.7 31.9 -1.8 204 206 A H G 3 S+ 0 0 162 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.697 92.1 59.9 -60.8 -18.7 38.9 34.6 -0.1 205 207 A T G < S+ 0 0 77 -3,-1.7 -1,-0.3 2,-0.0 2,-0.2 0.521 92.1 95.7 -84.6 -6.6 35.7 36.0 1.5 206 208 A L < - 0 0 47 -3,-2.1 2,-0.1 -4,-0.2 -3,-0.0 -0.541 69.9-124.1 -96.8 148.1 34.8 32.8 3.3 207 209 A S > - 0 0 70 -2,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.299 43.5 -97.7 -64.9 166.5 35.3 31.3 6.8 208 210 A E H > S+ 0 0 165 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.884 125.0 46.6 -55.2 -43.2 37.0 27.9 7.1 209 211 A D H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 113.9 45.5 -72.9 -43.8 33.7 26.1 7.4 210 212 A S H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.897 111.2 55.1 -60.7 -43.2 32.0 28.0 4.4 211 213 A Y H X S+ 0 0 117 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.933 107.4 49.9 -55.7 -44.3 35.2 27.4 2.4 212 214 A K H X S+ 0 0 122 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.935 111.0 48.8 -60.4 -45.9 34.9 23.7 3.1 213 215 A D H X S+ 0 0 78 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.924 116.7 42.1 -60.3 -46.2 31.2 23.6 2.0 214 216 A S H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 3,-0.2 0.914 111.8 51.6 -70.1 -43.8 31.9 25.5 -1.3 215 217 A T H X S+ 0 0 44 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.838 102.3 62.5 -67.7 -28.0 35.1 23.7 -2.3 216 218 A L H X S+ 0 0 104 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.2 0.932 110.2 38.9 -59.6 -45.3 33.3 20.4 -1.8 217 219 A I H X S+ 0 0 29 -4,-1.1 4,-1.8 -3,-0.2 -2,-0.2 0.862 110.3 59.7 -76.1 -33.0 30.8 21.3 -4.6 218 220 A M H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.886 101.8 55.5 -59.5 -35.5 33.5 22.9 -6.7 219 221 A Q H X S+ 0 0 87 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.903 104.7 52.7 -64.4 -37.4 35.2 19.5 -6.7 220 222 A L H X S+ 0 0 82 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.886 109.0 49.1 -61.7 -43.2 32.1 18.0 -8.2 221 223 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.942 112.6 48.3 -60.5 -45.4 32.1 20.6 -10.9 222 224 A R H X S+ 0 0 122 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.919 108.1 54.3 -60.9 -42.8 35.8 19.8 -11.5 223 225 A D H X S+ 0 0 74 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.899 110.4 47.2 -58.8 -43.4 35.0 16.0 -11.6 224 226 A N H X S+ 0 0 33 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.921 109.3 52.1 -64.3 -46.0 32.4 16.6 -14.3 225 227 A L H X S+ 0 0 22 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.873 110.3 50.4 -57.1 -37.3 34.7 18.8 -16.4 226 228 A T H < S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.873 111.7 46.8 -67.8 -39.1 37.3 16.0 -16.2 227 229 A L H < S+ 0 0 130 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.870 118.2 43.2 -65.5 -36.1 34.7 13.5 -17.3 228 230 A W H < 0 0 21 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.564 360.0 360.0 -93.9 -13.0 33.5 15.7 -20.2 229 231 A T < 0 0 139 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.1 0.204 360.0 360.0-121.5 360.0 36.8 17.1 -21.6