==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 03-JUL-11 3SPR . 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) . 12580.0 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 . 3 1.2 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 . 162 66.9 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 84 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-141.1 43.1 -12.6 4.1 2 -3 A A T 3 + 0 0 102 1,-0.3 3,-0.3 2,-0.1 27,-0.0 0.737 360.0 41.1 -48.8 -30.4 41.6 -9.4 5.6 3 -2 A M T > S+ 0 0 36 1,-0.2 3,-1.3 26,-0.1 -1,-0.3 0.143 80.4 113.2-112.9 12.6 39.7 -11.7 8.1 4 -1 A G T < S+ 0 0 45 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.793 78.0 49.4 -61.8 -27.2 42.6 -14.1 8.7 5 0 A S T 3 S+ 0 0 121 -4,-0.3 2,-0.4 -3,-0.3 -1,-0.3 0.567 93.9 89.2 -94.8 -7.9 42.8 -12.9 12.3 6 1 A M S < S- 0 0 38 -3,-1.3 -3,-0.0 1,-0.1 5,-0.0 -0.759 84.7-105.4 -90.1 139.6 39.2 -13.2 13.2 7 2 A E > - 0 0 137 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.269 23.5-125.3 -50.4 135.4 37.7 -16.4 14.6 8 3 A R H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.923 113.8 48.9 -51.1 -48.9 35.6 -18.3 12.2 9 4 A A H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.859 110.7 52.1 -64.9 -31.3 32.6 -18.2 14.6 10 5 A S H > S+ 0 0 38 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.914 108.0 51.1 -69.6 -40.2 33.1 -14.4 15.1 11 6 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.912 113.6 44.8 -62.1 -42.2 33.1 -13.9 11.3 12 7 A I H X S+ 0 0 11 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.934 113.2 49.9 -67.0 -44.2 29.8 -15.9 11.2 13 8 A Q H X S+ 0 0 118 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.943 114.6 45.4 -59.8 -40.6 28.5 -14.0 14.1 14 9 A K H X S+ 0 0 82 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.841 106.9 57.7 -76.4 -28.4 29.4 -10.8 12.4 15 10 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.917 108.4 48.0 -63.9 -42.0 28.0 -11.9 9.1 16 11 A K H X S+ 0 0 73 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.876 113.3 47.6 -64.8 -38.8 24.7 -12.4 10.9 17 12 A L H X S+ 0 0 90 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.907 111.1 49.9 -66.5 -42.9 25.0 -8.9 12.5 18 13 A A H <>S+ 0 0 6 -4,-2.7 5,-4.0 2,-0.2 -2,-0.2 0.869 109.7 53.1 -65.9 -38.6 25.9 -7.3 9.2 19 14 A E H ><5S+ 0 0 66 -4,-2.3 3,-2.1 3,-0.2 -2,-0.2 0.966 109.2 47.1 -61.2 -46.3 22.9 -9.0 7.7 20 15 A Q H 3<5S+ 0 0 143 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.870 114.9 47.6 -62.4 -32.6 20.6 -7.6 10.4 21 16 A A T 3<5S- 0 0 61 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.423 113.3-123.6 -88.4 5.5 22.3 -4.3 9.8 22 17 A E T < 5 + 0 0 140 -3,-2.1 2,-0.9 -4,-0.2 -3,-0.2 0.885 65.0 143.4 51.1 39.3 21.8 -4.7 6.0 23 18 A R >< + 0 0 138 -5,-4.0 4,-2.4 1,-0.2 -1,-0.2 -0.663 17.1 165.8-104.7 77.8 25.5 -4.3 5.7 24 19 A Y H > + 0 0 54 -2,-0.9 4,-2.8 1,-0.2 32,-0.2 0.780 69.4 55.7 -73.1 -32.3 25.8 -6.8 2.9 25 20 A E H > S+ 0 0 139 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.934 113.1 43.3 -62.2 -44.7 29.3 -5.9 1.8 26 21 A D H > S+ 0 0 55 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.916 113.8 53.1 -61.8 -44.5 30.5 -6.4 5.4 27 22 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.905 110.3 45.6 -56.2 -49.4 28.4 -9.6 5.5 28 23 A A H X S+ 0 0 3 -4,-2.8 4,-2.5 24,-0.3 5,-0.2 0.903 112.2 51.8 -65.2 -36.8 30.0 -10.8 2.4 29 24 A A H X S+ 0 0 36 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.902 111.0 48.0 -67.9 -37.8 33.5 -9.9 3.6 30 25 A F H X S+ 0 0 33 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.942 114.2 46.4 -68.2 -45.0 32.9 -11.8 6.9 31 26 A M H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.840 110.7 51.1 -64.4 -37.9 31.6 -14.8 5.1 32 27 A K H X S+ 0 0 64 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.934 111.3 50.3 -62.1 -46.8 34.4 -14.8 2.6 33 28 A G H < S+ 0 0 2 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.922 112.1 47.7 -53.5 -44.6 36.6 -14.6 5.7 34 29 A A H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 5,-0.4 0.910 111.2 49.4 -66.1 -41.1 34.7 -17.6 7.1 35 30 A V H >< S+ 0 0 5 -4,-3.1 3,-2.8 1,-0.3 -2,-0.2 0.963 104.4 59.6 -60.5 -44.4 35.0 -19.5 3.9 36 31 A E T 3< S+ 0 0 85 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.572 82.6 82.7 -65.5 -6.6 38.7 -18.8 3.8 37 32 A K T < S- 0 0 68 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.669 102.8-128.4 -67.0 -18.8 39.0 -20.6 7.2 38 33 A G < + 0 0 64 -3,-2.8 2,-0.2 1,-0.4 -2,-0.1 0.294 69.0 120.7 95.7 -13.5 39.1 -23.6 5.0 39 34 A E S S- 0 0 134 -5,-0.4 -1,-0.4 1,-0.1 -2,-0.1 -0.569 71.3-101.6 -83.1 149.7 36.3 -25.5 6.9 40 35 A E - 0 0 99 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.213 40.5-111.0 -63.6 160.8 33.2 -26.5 5.0 41 36 A L - 0 0 7 71,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.794 21.5-130.6 -98.7 142.6 30.2 -24.3 5.5 42 37 A S > - 0 0 51 -2,-0.4 4,-2.7 1,-0.1 5,-0.3 -0.314 37.6 -95.8 -71.2 173.1 27.2 -25.5 7.3 43 38 A V H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.903 127.0 47.6 -57.5 -49.8 23.8 -25.0 5.7 44 39 A E H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 112.5 50.5 -58.8 -41.3 23.2 -21.8 7.6 45 40 A E H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.882 109.1 48.8 -66.1 -41.4 26.6 -20.5 6.7 46 41 A R H X S+ 0 0 17 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.907 111.0 53.0 -65.5 -37.4 26.3 -21.2 3.0 47 42 A N H X S+ 0 0 69 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.924 109.9 47.4 -60.6 -43.2 23.0 -19.4 3.2 48 43 A L H X S+ 0 0 11 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.899 112.7 49.2 -62.2 -41.6 24.8 -16.5 4.8 49 44 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.969 113.8 45.0 -62.4 -51.1 27.4 -16.6 2.2 50 45 A S H X S+ 0 0 26 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.928 115.3 47.7 -60.7 -47.2 24.9 -16.7 -0.7 51 46 A V H X S+ 0 0 44 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.906 109.9 52.8 -61.6 -39.1 22.8 -14.0 0.9 52 47 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -24,-0.3 0.986 118.2 35.0 -63.3 -57.2 25.7 -11.7 1.5 53 48 A Y H X S+ 0 0 11 -4,-2.5 4,-3.5 1,-0.2 5,-0.4 0.842 112.0 59.1 -69.6 -31.8 27.0 -11.9 -2.0 54 49 A K H X S+ 0 0 33 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.891 110.7 45.1 -63.0 -45.9 23.6 -12.0 -3.7 55 50 A N H X S+ 0 0 65 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.907 114.1 47.9 -61.3 -47.2 22.8 -8.8 -2.0 56 51 A V H X S+ 0 0 15 -4,-2.4 4,-1.9 -32,-0.2 -2,-0.2 0.969 119.0 38.3 -57.0 -53.1 26.2 -7.2 -2.9 57 52 A V H X S+ 0 0 0 -4,-3.5 4,-3.0 2,-0.2 5,-0.2 0.837 110.4 61.5 -73.3 -28.7 26.1 -8.2 -6.5 58 53 A G H X S+ 0 0 22 -4,-2.0 4,-2.6 -5,-0.4 -1,-0.2 0.947 106.7 46.4 -60.4 -46.9 22.3 -7.5 -6.7 59 54 A G H X S+ 0 0 46 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.890 114.8 46.8 -58.9 -42.6 23.1 -3.9 -5.8 60 55 A Q H X S+ 0 0 21 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.883 113.0 49.5 -68.4 -34.2 25.9 -3.8 -8.4 61 56 A R H X S+ 0 0 3 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.942 111.5 47.9 -69.4 -44.8 23.8 -5.4 -11.0 62 57 A A H X S+ 0 0 41 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.890 115.2 45.9 -62.1 -40.5 20.9 -3.1 -10.4 63 58 A A H X S+ 0 0 36 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.903 111.2 53.2 -69.0 -44.0 23.3 -0.1 -10.6 64 59 A W H X S+ 0 0 31 -4,-3.0 4,-3.7 2,-0.2 -2,-0.2 0.915 108.8 48.9 -57.5 -41.0 24.9 -1.6 -13.7 65 60 A R H X S+ 0 0 76 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.914 110.3 51.4 -72.1 -37.2 21.5 -1.9 -15.4 66 61 A V H X S+ 0 0 86 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.974 116.8 40.1 -56.1 -54.2 20.7 1.7 -14.5 67 62 A L H X S+ 0 0 20 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.879 114.3 52.7 -67.8 -38.3 24.1 2.9 -16.0 68 63 A S H X S+ 0 0 16 -4,-3.7 4,-2.8 -5,-0.2 -1,-0.2 0.912 109.5 48.3 -63.0 -40.0 23.8 0.6 -18.9 69 64 A S H X S+ 0 0 53 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.934 112.5 49.8 -69.0 -38.8 20.4 1.8 -19.8 70 65 A I H X S+ 0 0 71 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.943 112.2 48.5 -58.0 -46.5 21.7 5.4 -19.5 71 66 A E H < S+ 0 0 12 -4,-2.8 4,-0.4 2,-0.2 -2,-0.2 0.869 110.2 48.9 -64.2 -45.5 24.6 4.5 -21.7 72 67 A Q H >< S+ 0 0 109 -4,-2.8 3,-2.1 1,-0.2 4,-0.4 0.967 110.1 53.3 -63.2 -46.4 22.5 2.8 -24.4 73 68 A K H >< S+ 0 0 107 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.880 106.0 53.0 -50.7 -40.7 20.2 5.9 -24.3 74 69 A S T 3< S+ 0 0 35 -4,-2.1 -1,-0.3 1,-0.3 8,-0.2 0.519 105.5 56.6 -74.3 -7.3 23.3 8.2 -24.9 75 70 A N T < S+ 0 0 107 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.361 85.3 109.8-101.4 -1.4 24.1 5.9 -27.9 76 71 A E S X S- 0 0 129 -3,-1.4 3,-2.0 -4,-0.4 2,-0.0 -0.413 85.5 -89.8 -70.2 148.8 20.7 6.6 -29.5 77 72 A E T 3 S+ 0 0 109 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.395 117.1 21.3 -55.0 132.5 20.5 8.7 -32.7 78 73 A G T 3 S+ 0 0 85 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.297 88.9 135.8 87.5 -8.4 20.0 12.3 -31.7 79 74 A S < - 0 0 50 -3,-2.0 -1,-0.3 -6,-0.1 -5,-0.1 -0.583 62.0-113.1 -72.3 128.0 21.4 11.8 -28.1 80 75 A E - 0 0 145 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 -0.366 33.0-105.5 -62.9 137.4 23.8 14.6 -27.2 81 76 A E - 0 0 140 1,-0.2 -1,-0.1 -6,-0.0 -6,-0.1 -0.526 39.9-179.6 -64.0 117.3 27.4 13.5 -26.9 82 77 A K - 0 0 141 -2,-0.4 3,-0.3 1,-0.4 -1,-0.2 0.526 39.2-113.2-101.9 -0.6 28.0 13.4 -23.1 83 78 A G - 0 0 30 1,-0.2 3,-0.4 2,-0.1 -1,-0.4 -0.503 48.4 -55.7 98.2-171.0 31.6 12.3 -23.1 84 79 A P S > S+ 0 0 51 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.498 105.2 99.7 -81.1 -5.3 33.1 9.0 -21.9 85 80 A E H > S+ 0 0 110 -3,-0.3 4,-3.1 1,-0.2 5,-0.2 0.823 79.2 46.6 -62.5 -42.4 31.6 9.4 -18.4 86 81 A V H > S+ 0 0 37 -3,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.957 117.6 44.0 -63.4 -48.9 28.6 7.2 -18.6 87 82 A R H > S+ 0 0 101 -4,-0.3 4,-3.1 1,-0.2 -2,-0.2 0.932 115.3 51.0 -60.5 -45.2 30.6 4.4 -20.2 88 83 A E H X S+ 0 0 89 -4,-3.5 4,-2.3 2,-0.2 -2,-0.2 0.924 113.0 43.2 -59.3 -46.7 33.4 5.0 -17.7 89 84 A Y H X S+ 0 0 115 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.908 113.6 51.0 -71.9 -36.4 31.2 4.8 -14.7 90 85 A R H X S+ 0 0 33 -4,-3.0 4,-3.3 -5,-0.2 -1,-0.2 0.921 112.3 48.8 -60.6 -43.7 29.3 1.8 -16.1 91 86 A E H X S+ 0 0 66 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.863 110.3 50.5 -59.8 -39.5 32.7 0.2 -16.7 92 87 A K H X S+ 0 0 118 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.943 115.0 42.4 -66.8 -47.5 33.7 1.1 -13.2 93 88 A V H X S+ 0 0 8 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.930 115.6 50.9 -64.2 -40.0 30.5 -0.4 -11.7 94 89 A E H X S+ 0 0 22 -4,-3.3 4,-3.0 -5,-0.3 -1,-0.2 0.900 108.5 50.9 -65.1 -38.5 30.9 -3.3 -14.1 95 90 A T H X S+ 0 0 85 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.934 111.6 47.4 -64.6 -45.5 34.5 -4.0 -13.1 96 91 A E H X S+ 0 0 99 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.906 112.2 50.7 -64.2 -40.0 33.6 -4.0 -9.4 97 92 A L H X S+ 0 0 1 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.938 110.3 48.6 -59.1 -46.9 30.7 -6.3 -10.1 98 93 A Q H X S+ 0 0 53 -4,-3.0 4,-3.4 1,-0.2 5,-0.2 0.904 108.0 56.1 -64.3 -34.2 32.9 -8.6 -12.0 99 94 A G H X S+ 0 0 29 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.912 107.9 47.5 -66.5 -39.1 35.3 -8.5 -9.1 100 95 A V H X S+ 0 0 22 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.965 113.6 47.5 -62.2 -47.5 32.6 -9.6 -6.8 101 96 A C H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.938 112.9 49.1 -55.9 -47.5 31.6 -12.4 -9.1 102 97 A D H X S+ 0 0 92 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.882 109.9 52.3 -61.7 -37.7 35.2 -13.3 -9.5 103 98 A T H X S+ 0 0 49 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.916 112.5 43.7 -62.5 -43.1 35.6 -13.3 -5.8 104 99 A V H X S+ 0 0 1 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.953 114.2 49.5 -70.0 -43.9 32.6 -15.6 -5.3 105 100 A L H X S+ 0 0 14 -4,-3.0 4,-2.7 1,-0.3 -2,-0.2 0.890 110.1 53.7 -60.0 -37.8 33.7 -17.9 -8.1 106 101 A G H X S+ 0 0 32 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.3 0.876 109.1 46.6 -66.2 -40.2 37.1 -17.9 -6.5 107 102 A L H <>S+ 0 0 6 -4,-2.1 5,-2.1 2,-0.2 -2,-0.2 0.926 113.0 49.4 -67.9 -40.9 35.6 -19.0 -3.2 108 103 A L H <>S+ 0 0 1 -4,-3.0 5,-3.1 1,-0.2 6,-0.5 0.917 117.7 41.0 -62.1 -39.1 33.5 -21.6 -4.9 109 104 A D H <5S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.766 107.5 68.2 -81.8 -26.8 36.6 -22.8 -6.7 110 105 A S T <5S- 0 0 58 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.603 132.6 -55.7-127.6 79.3 38.8 -22.4 -3.6 111 106 A H T >5S+ 0 0 102 -3,-0.4 4,-1.7 -2,-0.2 -3,-0.2 -0.719 112.7 95.3-147.1 37.1 37.5 -24.6 -2.2 112 107 A L H >4 S- 0 0 116 1,-0.1 4,-3.3 4,-0.0 3,-0.4 -0.542 84.3-124.5 -73.0 141.2 26.5 -33.6 0.0 119 114 A A H > S+ 0 0 12 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.881 109.2 57.8 -50.3 -44.3 24.1 -32.8 -2.7 120 115 A E H > S+ 0 0 61 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.872 114.7 36.3 -59.5 -40.9 22.7 -29.9 -0.7 121 116 A S H > S+ 0 0 6 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.934 119.9 48.2 -75.6 -44.2 26.0 -28.3 -0.4 122 117 A R H X S+ 0 0 58 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.929 115.2 43.2 -65.5 -40.2 27.2 -29.2 -3.9 123 118 A V H X S+ 0 0 0 -4,-3.4 4,-2.8 2,-0.2 -1,-0.2 0.910 112.9 54.0 -71.8 -42.0 24.1 -28.1 -5.7 124 119 A F H X S+ 0 0 18 -4,-1.3 4,-2.4 -5,-0.4 -2,-0.2 0.952 112.4 43.4 -55.0 -53.7 24.0 -24.9 -3.6 125 120 A Y H X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.878 114.3 49.1 -63.8 -39.0 27.5 -24.1 -4.6 126 121 A L H X S+ 0 0 1 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.855 109.5 53.0 -68.0 -36.5 27.1 -25.0 -8.2 127 122 A K H X S+ 0 0 20 -4,-2.8 4,-3.4 2,-0.2 -2,-0.2 0.965 110.5 47.0 -58.4 -47.0 24.0 -22.9 -8.3 128 123 A M H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.895 111.2 51.9 -62.2 -40.7 25.9 -20.0 -6.9 129 124 A K H X S+ 0 0 57 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.942 111.3 47.2 -63.6 -45.4 28.7 -20.7 -9.5 130 125 A G H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.925 112.8 50.5 -55.9 -49.3 26.1 -20.7 -12.2 131 126 A D H X S+ 0 0 2 -4,-3.4 4,-2.3 2,-0.2 -2,-0.2 0.921 111.3 45.8 -54.4 -49.5 24.6 -17.4 -10.8 132 127 A Y H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.872 114.3 48.1 -72.4 -33.3 28.0 -15.6 -10.6 133 128 A Y H X S+ 0 0 55 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.902 110.8 53.3 -69.7 -32.7 28.9 -16.7 -14.1 134 129 A R H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.877 107.2 49.8 -66.7 -32.9 25.5 -15.6 -15.1 135 130 A Y H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.902 111.6 49.1 -72.7 -33.2 26.1 -12.2 -13.6 136 131 A L H >X S+ 0 0 12 -4,-1.9 3,-1.3 1,-0.2 4,-1.1 0.921 109.3 53.5 -64.8 -39.7 29.3 -12.1 -15.4 137 132 A A H 3< S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.3 -2,-0.2 0.850 98.8 64.3 -65.9 -32.0 27.4 -13.1 -18.5 138 133 A E H 3< S+ 0 0 33 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.785 114.8 28.9 -60.2 -28.1 25.0 -10.2 -17.9 139 134 A V H << S+ 0 0 2 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.430 93.6 114.9-113.0 -2.5 27.8 -7.7 -18.5 140 135 A A < + 0 0 11 -4,-1.1 -3,-0.0 -3,-0.4 -4,-0.0 -0.440 21.3 151.1 -76.1 134.5 29.8 -9.7 -20.8 141 136 A T + 0 0 130 -2,-0.2 -1,-0.2 0, 0.0 -4,-0.0 0.385 49.8 80.9-138.7 -4.4 30.1 -8.3 -24.3 142 137 A G S > S- 0 0 45 1,-0.0 3,-0.6 3,-0.0 4,-0.3 0.207 100.5 -71.0 -92.7-152.7 33.5 -9.5 -25.5 143 138 A D T 3 S+ 0 0 153 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.572 126.9 58.3 -87.7 -11.6 35.0 -12.7 -26.9 144 139 A D T 3> S+ 0 0 90 1,-0.1 4,-3.1 2,-0.1 5,-0.3 0.499 75.6 98.0 -90.9 -6.6 34.6 -14.5 -23.6 145 140 A K H <> S+ 0 0 73 -3,-0.6 4,-2.9 1,-0.2 5,-0.2 0.919 85.6 46.8 -46.0 -51.0 30.8 -13.9 -23.5 146 141 A K H > S+ 0 0 161 -4,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.924 113.8 46.7 -60.8 -43.4 30.2 -17.5 -24.8 147 142 A R H > S+ 0 0 150 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.898 112.7 49.4 -66.4 -39.0 32.6 -19.1 -22.5 148 143 A I H X S+ 0 0 32 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.962 113.1 48.6 -62.5 -48.2 31.2 -17.2 -19.5 149 144 A I H X S+ 0 0 26 -4,-2.9 4,-3.4 -5,-0.3 -2,-0.2 0.934 112.3 46.4 -59.4 -47.6 27.7 -18.2 -20.6 150 145 A D H X S+ 0 0 61 -4,-2.9 4,-3.2 -5,-0.2 -1,-0.2 0.844 108.7 55.5 -74.3 -21.9 28.6 -21.8 -21.0 151 146 A S H X S+ 0 0 37 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.898 111.2 46.1 -65.9 -42.7 30.5 -21.8 -17.6 152 147 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 -19,-0.2 -2,-0.2 0.971 115.9 46.7 -57.3 -51.9 27.1 -20.5 -16.1 153 148 A R H X S+ 0 0 106 -4,-3.4 4,-3.0 1,-0.2 -2,-0.2 0.906 112.8 48.4 -57.3 -46.7 25.4 -23.3 -18.1 154 149 A S H X S+ 0 0 52 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.897 112.4 46.8 -68.0 -37.8 27.8 -25.9 -17.1 155 150 A A H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.940 115.1 47.5 -69.7 -41.8 27.7 -25.1 -13.5 156 151 A Y H X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 -2,-0.2 0.916 111.8 50.6 -60.4 -43.3 23.8 -24.9 -13.6 157 152 A Q H X S+ 0 0 68 -4,-3.0 4,-3.3 2,-0.2 -1,-0.2 0.900 110.3 47.9 -64.0 -47.4 23.6 -28.2 -15.5 158 153 A E H X S+ 0 0 76 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.925 114.4 47.6 -61.4 -44.3 25.9 -30.0 -13.0 159 154 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.921 113.1 48.7 -60.9 -43.1 23.8 -28.6 -10.2 160 155 A M H X S+ 0 0 24 -4,-3.4 4,-2.8 2,-0.2 5,-0.2 0.917 110.9 51.4 -61.2 -44.8 20.6 -29.6 -12.0 161 156 A D H X S+ 0 0 88 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.928 115.5 39.8 -61.3 -46.4 22.0 -33.1 -12.6 162 157 A I H X S+ 0 0 33 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.924 116.3 50.5 -65.8 -44.5 22.9 -33.7 -9.0 163 158 A S H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.920 110.6 49.5 -64.4 -38.8 19.7 -32.0 -7.7 164 159 A K H < S+ 0 0 131 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.864 118.8 40.0 -64.0 -38.5 17.6 -34.1 -9.9 165 160 A K H < S+ 0 0 93 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.864 130.4 23.7 -76.9 -36.3 19.4 -37.2 -8.7 166 161 A E H < S+ 0 0 121 -4,-3.2 -2,-0.2 -5,-0.1 -3,-0.2 0.444 109.8 62.7-119.4 -7.0 19.7 -36.4 -5.1 167 162 A M S < S- 0 0 8 -4,-2.4 -1,-0.0 -5,-0.3 0, 0.0 -0.955 78.8-107.0-128.0 149.5 17.1 -33.9 -4.1 168 163 A P > - 0 0 56 0, 0.0 3,-2.6 0, 0.0 6,-0.2 -0.352 37.0-112.3 -70.3 151.8 13.3 -33.9 -3.9 169 164 A P T 3 S+ 0 0 31 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.697 118.2 54.3 -59.0 -20.6 11.6 -31.8 -6.6 170 165 A T T 3 S+ 0 0 2 35,-0.1 54,-0.1 36,-0.1 55,-0.1 0.424 73.9 130.3 -92.9 -1.7 10.4 -29.5 -3.9 171 166 A H <> - 0 0 42 -3,-2.6 4,-3.0 1,-0.2 5,-0.3 -0.336 61.0-135.9 -54.6 125.4 13.9 -28.9 -2.4 172 167 A P H > S+ 0 0 42 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.882 105.9 49.0 -53.2 -31.8 14.2 -25.1 -2.1 173 168 A I H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 111.7 48.4 -77.0 -40.0 17.7 -25.3 -3.6 174 169 A R H > S+ 0 0 22 -6,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.947 115.8 44.2 -59.6 -46.8 16.5 -27.4 -6.4 175 170 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.895 115.2 48.0 -64.0 -40.5 13.7 -25.0 -7.0 176 171 A G H X S+ 0 0 2 -4,-2.9 4,-2.5 -5,-0.3 67,-0.3 0.891 111.3 50.6 -71.7 -37.8 15.9 -22.0 -6.7 177 172 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.939 112.9 46.4 -63.8 -47.6 18.5 -23.5 -9.0 178 173 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.930 110.0 53.5 -60.9 -48.5 15.8 -24.3 -11.6 179 174 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.924 115.6 40.0 -48.9 -51.8 14.3 -20.8 -11.3 180 175 A N H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.872 114.3 51.3 -69.6 -38.3 17.8 -19.3 -11.9 181 176 A F H X S+ 0 0 7 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.860 109.7 51.1 -64.3 -37.3 18.8 -21.7 -14.6 182 177 A S H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.945 110.2 49.5 -68.2 -39.7 15.5 -21.0 -16.3 183 178 A V H X>S+ 0 0 0 -4,-2.1 4,-3.3 -5,-0.3 5,-0.6 0.924 108.7 53.4 -64.0 -40.9 16.3 -17.3 -16.1 184 179 A F H X>S+ 0 0 2 -4,-2.8 5,-2.6 2,-0.2 4,-2.2 0.959 110.9 46.8 -54.0 -49.6 19.7 -18.0 -17.5 185 180 A H H <5S+ 0 0 16 -4,-2.7 6,-3.4 3,-0.2 -2,-0.2 0.930 115.0 48.3 -57.6 -42.7 17.9 -19.8 -20.4 186 181 A Y H <5S+ 0 0 80 -4,-2.9 -2,-0.2 4,-0.2 -1,-0.2 0.927 129.6 11.4 -67.4 -48.5 15.6 -16.9 -20.8 187 182 A E H <5S+ 0 0 73 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.631 132.9 36.2-118.4 -9.2 17.8 -14.0 -20.8 188 183 A I T < + 0 0 42 -6,-3.4 4,-2.6 -7,-0.2 5,-0.2 -0.570 20.7 161.2-133.6 66.7 16.4 -19.9 -25.0 192 187 A P H > S+ 0 0 47 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.885 76.4 56.0 -59.7 -33.0 13.0 -18.7 -23.7 193 188 A E H > S+ 0 0 155 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.953 109.0 43.7 -66.4 -46.0 11.5 -22.0 -24.6 194 189 A E H > S+ 0 0 100 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.922 112.9 54.6 -64.2 -38.6 13.9 -23.9 -22.5 195 190 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.920 112.6 42.6 -57.2 -47.0 13.4 -21.3 -19.8 196 191 A I H X S+ 0 0 29 -4,-3.3 4,-3.1 2,-0.2 5,-0.2 0.945 114.5 49.4 -67.8 -48.3 9.7 -21.8 -19.8 197 192 A S H X S+ 0 0 58 -4,-2.7 4,-2.9 -5,-0.2 5,-0.4 0.927 113.8 47.5 -56.6 -45.3 9.9 -25.6 -20.1 198 193 A L H X S+ 0 0 20 -4,-3.2 4,-3.1 -5,-0.2 5,-0.3 0.969 113.8 45.5 -61.7 -50.8 12.3 -25.7 -17.2 199 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.920 117.3 45.8 -60.3 -39.2 10.2 -23.4 -15.0 200 195 A K H X S+ 0 0 80 -4,-3.1 4,-3.2 2,-0.2 5,-0.2 0.965 115.9 43.5 -64.8 -59.2 7.0 -25.3 -15.9 201 196 A T H X S+ 0 0 61 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.924 115.4 49.4 -56.0 -45.7 8.4 -28.7 -15.4 202 197 A T H X S+ 0 0 8 -4,-3.1 4,-2.4 -5,-0.4 -1,-0.2 0.937 113.1 46.6 -59.3 -47.0 10.1 -27.7 -12.2 203 198 A F H X S+ 0 0 29 -4,-2.5 4,-3.0 -5,-0.3 -2,-0.2 0.934 114.6 47.2 -58.9 -47.8 7.0 -26.1 -10.9 204 199 A D H X S+ 0 0 92 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.878 112.0 48.6 -67.9 -40.1 4.8 -29.1 -11.8 205 200 A E H < S+ 0 0 68 -4,-2.9 4,-0.4 -5,-0.2 -1,-0.2 0.881 112.5 49.2 -70.7 -36.5 7.2 -31.7 -10.3 206 201 A A H >X S+ 0 0 0 -4,-2.4 3,-1.9 -5,-0.3 4,-1.0 0.949 108.2 54.5 -62.5 -52.1 7.4 -29.6 -7.1 207 202 A M H >< S+ 0 0 89 -4,-3.0 3,-1.3 1,-0.3 4,-0.4 0.935 105.6 53.0 -40.8 -53.7 3.6 -29.4 -7.0 208 203 A A T 3< S+ 0 0 71 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.553 112.4 44.7 -68.2 -8.4 3.3 -33.2 -7.2 209 204 A D T X4 S+ 0 0 31 -3,-1.9 3,-1.9 -4,-0.4 4,-0.4 0.430 81.9 96.0-115.4 -5.0 5.7 -33.6 -4.2 210 205 A L G X< S+ 0 0 18 -3,-1.3 3,-2.3 -4,-1.0 -2,-0.1 0.874 75.4 68.5 -48.7 -34.8 4.2 -30.9 -1.9 211 206 A H G 3 S+ 0 0 156 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.682 91.7 57.8 -65.7 -19.5 2.2 -33.7 -0.2 212 207 A T G < S+ 0 0 80 -3,-1.9 -1,-0.3 2,-0.0 2,-0.2 0.619 93.5 96.1 -87.4 -11.8 5.3 -35.2 1.3 213 208 A L S < S- 0 0 42 -3,-2.3 2,-0.1 -4,-0.4 -3,-0.0 -0.512 71.6-128.1 -89.1 145.3 6.2 -32.0 3.1 214 209 A S > - 0 0 66 -2,-0.2 4,-2.5 1,-0.1 5,-0.1 -0.292 44.3 -96.1 -65.3 168.4 5.5 -30.7 6.6 215 210 A E H > S+ 0 0 157 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.882 125.3 50.5 -59.1 -42.7 3.9 -27.3 6.8 216 211 A D H > S+ 0 0 122 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.936 114.7 42.1 -63.7 -44.7 7.3 -25.6 7.2 217 212 A S H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.858 111.4 57.7 -70.6 -33.7 8.9 -27.3 4.2 218 213 A Y H X S+ 0 0 117 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.944 106.6 48.4 -56.7 -51.4 5.7 -26.7 2.3 219 214 A K H X S+ 0 0 60 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.871 110.8 50.8 -62.4 -40.5 6.0 -23.0 2.9 220 215 A D H X S+ 0 0 80 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.910 114.4 43.1 -59.8 -48.6 9.7 -23.0 1.8 221 216 A S H >X S+ 0 0 2 -4,-2.5 4,-3.1 2,-0.2 3,-0.6 0.966 112.5 50.1 -66.1 -49.9 9.0 -24.8 -1.5 222 217 A T H 3X S+ 0 0 38 -4,-2.7 4,-3.2 1,-0.3 5,-0.2 0.874 102.9 63.2 -63.1 -31.7 5.9 -22.9 -2.5 223 218 A L H 3X S+ 0 0 124 -4,-1.6 4,-1.1 -5,-0.3 -1,-0.3 0.942 111.8 35.7 -55.8 -46.3 7.7 -19.6 -1.9 224 219 A I H