==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING, SIGNALING PROTEIN 21-AUG-09 3IQU . COMPND 2 MOLECULE: 14-3-3 PROTEIN SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.OTTMANN,M.WEYAND . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13441.0 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 89 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-150.9 -44.1 -12.1 -4.4 2 -3 A A T 3 + 0 0 103 1,-0.3 3,-0.3 2,-0.1 27,-0.0 0.675 360.0 52.2 -59.4 -25.5 -42.9 -9.1 -6.6 3 -2 A M T > S+ 0 0 39 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.441 78.7 100.3 -89.8 1.9 -40.7 -11.8 -8.3 4 -1 A G T < S+ 0 0 46 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.748 81.1 49.7 -62.5 -28.9 -43.6 -14.2 -9.0 5 0 A S T 3 S+ 0 0 122 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.488 93.3 92.2 -89.0 -1.4 -44.0 -13.2 -12.6 6 1 A M S < S- 0 0 38 -3,-1.8 5,-0.1 1,-0.1 -3,-0.0 -0.758 82.6-108.6 -97.0 136.6 -40.3 -13.5 -13.5 7 2 A E > - 0 0 142 -2,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.266 23.2-123.0 -57.1 144.6 -38.8 -16.7 -14.8 8 3 A R H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.918 113.2 49.6 -49.8 -50.2 -36.5 -18.7 -12.5 9 4 A A H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.871 109.3 52.3 -64.8 -34.8 -33.7 -18.6 -15.0 10 5 A S H > S+ 0 0 41 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.883 106.9 52.9 -66.9 -39.3 -34.1 -14.8 -15.4 11 6 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.906 111.4 46.2 -60.8 -43.1 -34.0 -14.3 -11.6 12 7 A I H X S+ 0 0 14 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.935 111.7 50.6 -69.8 -38.4 -30.7 -16.1 -11.5 13 8 A Q H X S+ 0 0 124 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.919 112.8 47.2 -59.9 -44.9 -29.3 -14.3 -14.4 14 9 A K H X S+ 0 0 85 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.856 106.3 57.7 -68.7 -32.9 -30.2 -11.0 -12.8 15 10 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.917 107.4 48.7 -59.2 -40.6 -28.8 -12.1 -9.5 16 11 A K H X S+ 0 0 72 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.888 111.9 48.2 -68.0 -39.9 -25.5 -12.6 -11.2 17 12 A L H X S+ 0 0 93 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.910 110.3 52.6 -64.0 -41.4 -25.7 -9.1 -12.9 18 13 A A H <>S+ 0 0 7 -4,-2.9 5,-2.9 1,-0.2 4,-0.3 0.895 107.3 51.9 -61.1 -41.1 -26.6 -7.6 -9.5 19 14 A E H ><5S+ 0 0 71 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.941 108.5 50.0 -61.5 -43.7 -23.5 -9.1 -8.0 20 15 A Q H 3<5S+ 0 0 152 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.851 113.9 46.5 -60.2 -38.5 -21.3 -7.7 -10.7 21 16 A A T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.389 112.6-121.3 -80.7 -3.5 -23.0 -4.3 -10.1 22 17 A E T < 5 + 0 0 146 -3,-1.5 2,-0.9 -4,-0.3 -3,-0.2 0.833 65.9 143.3 55.6 40.3 -22.5 -4.7 -6.3 23 18 A R >< + 0 0 146 -5,-2.9 4,-2.4 1,-0.2 -1,-0.2 -0.683 16.8 165.8-104.3 73.1 -26.3 -4.3 -5.9 24 19 A Y H > + 0 0 55 -2,-0.9 4,-2.5 1,-0.2 32,-0.2 0.825 68.8 55.0 -74.0 -30.1 -26.6 -6.8 -3.1 25 20 A E H > S+ 0 0 155 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 112.4 45.7 -66.2 -40.8 -30.1 -6.0 -2.0 26 21 A D H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.926 111.5 52.7 -61.3 -42.8 -31.3 -6.5 -5.5 27 22 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 110.1 48.3 -58.1 -43.9 -29.3 -9.7 -5.7 28 23 A A H X S+ 0 0 5 -4,-2.5 4,-2.7 24,-0.2 -1,-0.2 0.906 110.6 50.6 -63.8 -43.8 -31.0 -11.0 -2.5 29 24 A A H X S+ 0 0 40 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.899 110.9 48.6 -64.4 -40.2 -34.4 -10.1 -3.8 30 25 A F H X S+ 0 0 33 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.912 113.1 47.7 -64.3 -44.1 -33.8 -12.0 -7.0 31 26 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.862 108.8 53.7 -68.1 -36.0 -32.5 -15.0 -5.2 32 27 A K H X S+ 0 0 65 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.933 109.4 49.6 -58.2 -47.0 -35.4 -15.0 -2.8 33 28 A G H X S+ 0 0 3 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.908 109.6 50.9 -57.3 -42.4 -37.6 -15.0 -5.8 34 29 A A H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 5,-0.4 0.936 110.2 49.1 -62.7 -45.8 -35.7 -17.9 -7.3 35 30 A V H >< S+ 0 0 8 -4,-2.7 3,-2.2 1,-0.2 -2,-0.2 0.914 104.4 60.2 -59.0 -42.1 -36.0 -19.9 -4.0 36 31 A E H 3< S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.616 83.4 79.5 -70.8 -6.4 -39.8 -19.2 -3.9 37 32 A K T << S- 0 0 71 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.725 104.4-126.7 -66.5 -20.2 -40.2 -21.0 -7.3 38 33 A G < + 0 0 45 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.326 66.8 121.5 96.3 -10.2 -40.0 -24.1 -5.2 39 34 A E - 0 0 132 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.555 69.2 -99.8 -81.8 152.2 -37.3 -26.0 -6.9 40 35 A E - 0 0 109 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.224 40.8-116.0 -62.1 157.6 -34.1 -27.1 -5.2 41 36 A L - 0 0 9 71,-0.1 -1,-0.1 1,-0.0 2,-0.0 -0.841 18.1-130.1-100.5 139.1 -31.0 -25.0 -5.7 42 37 A S > - 0 0 48 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.270 36.6 -96.6 -70.4 170.4 -27.9 -26.0 -7.4 43 38 A X H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.935 126.9 47.6 -54.9 -50.2 -24.5 -25.5 -5.8 44 39 A E H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 112.4 49.5 -59.9 -43.0 -23.9 -22.3 -7.8 45 40 A E H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.893 107.6 53.5 -67.1 -38.2 -27.4 -21.1 -6.9 46 41 A R H X S+ 0 0 25 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.912 108.8 50.8 -59.1 -42.0 -26.9 -21.8 -3.2 47 42 A N H X S+ 0 0 69 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.889 107.6 52.1 -67.5 -35.0 -23.8 -19.7 -3.3 48 43 A L H X S+ 0 0 11 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.911 109.8 50.0 -62.6 -45.2 -25.6 -16.8 -5.0 49 44 A L H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.944 113.5 45.9 -56.2 -49.1 -28.2 -16.9 -2.2 50 45 A S H X S+ 0 0 20 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.923 112.0 49.2 -61.6 -49.6 -25.5 -16.9 0.5 51 46 A V H X S+ 0 0 41 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.920 110.5 51.8 -60.1 -42.9 -23.4 -14.2 -1.0 52 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -24,-0.2 0.971 116.0 37.7 -59.2 -56.2 -26.4 -11.9 -1.5 53 48 A Y H X S+ 0 0 14 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.875 112.0 58.4 -69.7 -33.0 -27.7 -12.1 2.0 54 49 A K H X S+ 0 0 63 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.897 109.6 45.2 -60.3 -41.8 -24.2 -12.2 3.6 55 50 A N H X S+ 0 0 66 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.918 114.5 47.5 -68.1 -44.7 -23.5 -8.9 2.0 56 51 A V H X S+ 0 0 21 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.975 118.3 39.7 -59.4 -56.2 -26.9 -7.3 3.0 57 52 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.850 110.3 61.0 -68.4 -31.8 -26.7 -8.5 6.6 58 53 A G H X S+ 0 0 25 -4,-2.0 4,-2.2 -5,-0.4 -1,-0.2 0.914 105.3 46.6 -62.2 -39.3 -23.1 -7.7 6.8 59 54 A G H X S+ 0 0 45 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.901 112.9 50.2 -66.4 -38.7 -23.7 -4.1 6.1 60 55 A Q H X S+ 0 0 31 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.911 110.4 49.6 -65.2 -41.6 -26.5 -4.0 8.6 61 56 A R H X S+ 0 0 9 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.910 109.9 50.6 -62.8 -43.7 -24.4 -5.6 11.3 62 57 A A H X S+ 0 0 41 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.922 112.7 46.6 -63.0 -41.8 -21.6 -3.1 10.7 63 58 A A H X S+ 0 0 40 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.915 110.9 52.9 -64.1 -44.1 -24.1 -0.2 11.0 64 59 A W H X S+ 0 0 43 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.899 107.2 51.6 -57.9 -44.2 -25.6 -1.7 14.1 65 60 A R H X S+ 0 0 82 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.906 109.2 49.8 -63.9 -39.3 -22.2 -2.0 15.7 66 61 A V H X S+ 0 0 90 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.942 115.2 44.1 -61.1 -48.7 -21.4 1.7 15.0 67 62 A L H X S+ 0 0 24 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.907 111.6 52.7 -68.4 -38.8 -24.7 2.8 16.5 68 63 A S H X S+ 0 0 10 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.891 107.9 51.9 -60.4 -39.7 -24.5 0.5 19.5 69 64 A S H X S+ 0 0 49 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.908 110.3 47.3 -64.1 -45.3 -21.1 1.9 20.3 70 65 A I H X S+ 0 0 66 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.914 112.9 50.6 -61.6 -44.1 -22.4 5.5 20.2 71 66 A E H X S+ 0 0 28 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.930 109.1 50.4 -60.8 -44.2 -25.4 4.4 22.4 72 67 A Q H >< S+ 0 0 134 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.914 109.3 51.3 -62.0 -43.7 -23.0 2.8 24.9 73 68 A K H >< S+ 0 0 124 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.891 104.5 57.9 -60.7 -39.6 -20.9 5.9 25.1 74 69 A S H 3< S+ 0 0 27 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.729 102.0 56.7 -58.9 -23.0 -24.1 8.0 25.7 75 70 A N T << S+ 0 0 129 -3,-0.9 -1,-0.3 -4,-0.9 2,-0.2 0.239 85.4 106.6 -97.2 11.2 -24.8 5.9 28.7 76 71 A E S X S- 0 0 120 -3,-1.6 3,-1.8 1,-0.1 2,-0.0 -0.565 84.6 -86.6 -86.7 154.2 -21.5 6.6 30.5 77 72 A E T 3 S+ 0 0 208 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.337 115.1 20.7 -55.5 129.1 -21.1 8.9 33.5 78 73 A G T 3 S+ 0 0 89 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.413 88.0 133.6 91.6 -1.8 -20.6 12.6 32.4 79 74 A S < - 0 0 47 -3,-1.8 -1,-0.3 -6,-0.1 2,-0.1 -0.671 60.6-116.3 -79.4 130.1 -22.1 12.1 28.9 80 75 A E - 0 0 163 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.1 -0.390 29.8-107.4 -66.7 141.2 -24.6 14.8 28.1 81 76 A E + 0 0 189 1,-0.1 -1,-0.1 -2,-0.1 -6,-0.0 -0.638 38.6 174.7 -71.3 129.9 -28.3 13.7 27.5 82 77 A K - 0 0 121 1,-0.4 3,-0.4 -2,-0.4 -1,-0.1 0.283 40.6-114.1-122.2 2.5 -29.1 13.9 23.9 83 78 A G - 0 0 50 1,-0.2 3,-0.5 2,-0.1 -1,-0.4 -0.381 48.9 -50.1 91.4-172.4 -32.7 12.4 23.9 84 79 A P S > S+ 0 0 56 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.463 101.7 98.5 -81.5 -5.2 -34.0 9.2 22.4 85 80 A E H > S+ 0 0 112 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.843 79.9 49.8 -64.1 -42.6 -32.6 9.5 18.9 86 81 A V H > S+ 0 0 31 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.951 115.9 44.0 -59.9 -49.6 -29.6 7.3 19.2 87 82 A R H > S+ 0 0 103 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.927 113.5 51.6 -58.7 -46.5 -31.6 4.5 20.7 88 83 A E H X S+ 0 0 97 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.924 112.7 44.1 -59.7 -45.5 -34.4 5.0 18.2 89 84 A Y H X S+ 0 0 124 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.909 112.5 51.0 -70.7 -40.4 -32.1 4.8 15.2 90 85 A R H X S+ 0 0 35 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.920 111.4 50.4 -56.6 -44.1 -30.2 1.8 16.6 91 86 A E H X S+ 0 0 72 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.866 107.8 52.8 -60.8 -41.5 -33.6 0.1 17.1 92 87 A K H X S+ 0 0 119 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.945 113.1 42.7 -60.7 -50.4 -34.6 1.0 13.5 93 88 A V H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.915 114.3 52.8 -62.1 -43.6 -31.4 -0.6 12.1 94 89 A E H X S+ 0 0 26 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.900 107.7 49.8 -58.6 -44.8 -31.8 -3.6 14.5 95 90 A T H X S+ 0 0 88 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.894 111.2 49.1 -65.4 -38.1 -35.3 -4.2 13.4 96 91 A E H X S+ 0 0 99 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.914 111.6 49.7 -64.4 -42.8 -34.3 -4.2 9.7 97 92 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.928 110.4 49.6 -60.8 -47.7 -31.4 -6.6 10.5 98 93 A Q H X S+ 0 0 59 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.887 108.1 55.2 -59.9 -37.6 -33.8 -8.9 12.3 99 94 A G H X S+ 0 0 30 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.895 107.3 48.2 -64.6 -40.5 -36.2 -8.8 9.4 100 95 A V H X S+ 0 0 23 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.932 112.8 49.0 -64.3 -45.2 -33.4 -9.9 7.0 101 96 A C H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.927 110.9 49.9 -60.1 -42.3 -32.5 -12.8 9.3 102 97 A D H X S+ 0 0 96 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.871 109.1 53.1 -63.9 -37.2 -36.1 -13.8 9.6 103 98 A T H X S+ 0 0 53 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.940 112.2 43.9 -60.5 -50.1 -36.4 -13.7 5.8 104 99 A V H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.937 113.8 49.6 -63.3 -48.5 -33.4 -16.0 5.4 105 100 A L H X S+ 0 0 18 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.864 109.1 54.8 -59.0 -37.0 -34.6 -18.3 8.2 106 101 A G H X S+ 0 0 34 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.892 106.8 48.9 -64.2 -39.6 -38.0 -18.4 6.6 107 102 A L H <>S+ 0 0 10 -4,-2.0 5,-2.0 1,-0.2 -2,-0.2 0.893 111.3 50.7 -65.7 -38.7 -36.6 -19.5 3.2 108 103 A L H <>S+ 0 0 3 -4,-2.3 5,-2.5 1,-0.2 6,-0.5 0.897 116.2 41.1 -64.1 -40.5 -34.6 -22.3 5.0 109 104 A D H <5S+ 0 0 99 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.684 106.7 67.8 -78.7 -24.2 -37.7 -23.5 6.8 110 105 A S T <5S- 0 0 66 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.656 132.1 -54.9-135.9 76.7 -40.0 -23.1 3.8 111 106 A H T >5S+ 0 0 97 -3,-0.4 4,-1.2 -2,-0.2 -3,-0.2 -0.733 110.6 95.1-144.5 34.4 -38.7 -25.3 2.3 112 107 A L H >4 S- 0 0 119 1,-0.1 4,-2.8 4,-0.0 3,-0.4 -0.542 82.3-123.5 -79.8 148.1 -27.2 -34.5 -0.1 119 114 A A H > S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 5,-0.5 0.883 108.5 59.0 -59.6 -40.4 -24.6 -33.6 2.4 120 115 A E H > S+ 0 0 79 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.900 115.0 34.8 -53.8 -46.9 -23.4 -30.6 0.3 121 116 A S H > S+ 0 0 9 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.939 118.9 48.8 -77.6 -46.3 -26.8 -29.0 0.4 122 117 A R H X S+ 0 0 61 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.919 113.6 45.4 -62.9 -46.8 -27.9 -30.0 3.8 123 118 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.908 112.0 53.7 -60.6 -44.6 -24.8 -28.9 5.6 124 119 A F H X S+ 0 0 18 -4,-1.1 4,-2.0 -5,-0.5 -2,-0.2 0.936 112.3 43.5 -56.4 -47.2 -24.7 -25.6 3.6 125 120 A Y H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.872 113.2 50.2 -71.3 -37.4 -28.3 -24.8 4.7 126 121 A L H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.885 109.0 52.3 -68.1 -34.9 -27.8 -25.8 8.3 127 122 A K H X S+ 0 0 19 -4,-2.5 4,-2.8 -5,-0.2 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152 A Q H X S+ 0 0 64 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.914 109.0 48.9 -65.0 -41.1 -24.3 -29.0 15.7 158 153 A E H X S+ 0 0 78 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.925 112.6 49.1 -60.4 -45.6 -26.6 -30.8 13.2 159 154 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.905 111.1 50.0 -58.5 -43.6 -24.5 -29.5 10.4 160 155 A M H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.911 108.4 52.7 -62.9 -43.8 -21.2 -30.6 12.1 161 156 A D H X S+ 0 0 77 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.926 113.8 42.4 -61.8 -45.3 -22.6 -34.1 12.7 162 157 A I H X S+ 0 0 33 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.939 113.2 51.9 -63.8 -45.1 -23.5 -34.5 9.1 163 158 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.871 107.6 52.2 -65.7 -36.0 -20.3 -33.0 7.8 164 159 A K H < S+ 0 0 121 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.840 117.1 39.4 -68.4 -34.7 -18.1 -35.3 9.9 165 160 A K H < S+ 0 0 173 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.848 128.3 28.3 -76.6 -35.1 -19.8 -38.4 8.6 166 161 A E H < S+ 0 0 126 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.537 110.1 57.3-113.5 -11.3 -20.3 -37.4 5.0 167 162 A M S < S- 0 0 9 -4,-2.0 -1,-0.0 -5,-0.3 0, 0.0 -0.928 77.5-109.9-125.8 150.0 -17.5 -35.0 4.0 168 163 A P > - 0 0 63 0, 0.0 3,-2.1 0, 0.0 6,-0.2 -0.374 38.7-108.2 -70.2 159.8 -13.7 -35.1 4.0 169 164 A P T 3 S+ 0 0 32 0, 0.0 37,-0.2 0, 0.0 38,-0.1 0.636 118.3 54.3 -66.5 -17.6 -11.9 -32.9 6.5 170 165 A T T 3 S+ 0 0 3 35,-0.1 55,-0.1 36,-0.1 36,-0.1 0.406 73.7 126.1 -90.4 -5.6 -10.8 -30.6 3.7 171 166 A N <> - 0 0 27 -3,-2.1 4,-2.7 1,-0.2 5,-0.2 -0.353 61.4-137.1 -59.5 130.5 -14.2 -30.0 2.2 172 167 A P H > S+ 0 0 49 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.821 102.4 51.8 -62.5 -32.7 -14.6 -26.2 2.1 173 168 A I H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 111.6 47.6 -66.1 -46.5 -18.2 -26.3 3.3 174 169 A R H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 113.8 48.2 -56.9 -45.8 -17.1 -28.4 6.3 175 170 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.916 111.8 47.7 -64.7 -44.6 -14.2 -26.0 7.0 176 171 A G H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.2 67,-0.3 0.874 110.5 53.0 -66.0 -36.0 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-73.7 -45.6 -16.0 -17.5 21.1 187 182 A E H <5S+ 0 0 87 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.710 133.7 21.4 -93.8 -29.5 -18.3 -14.5 20.4 188 183 A I T < + 0 0 44 -6,-2.9 4,-2.1 -7,-0.2 3,-0.3 -0.525 20.5 158.6-133.0 63.5 -16.7 -20.6 25.3 192 187 A P H > S+ 0 0 54 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.857 75.8 55.4 -62.6 -34.1 -13.3 -19.4 24.1 193 188 A E H > S+ 0 0 164 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.914 108.7 47.3 -64.8 -40.6 -11.7 -22.8 25.0 194 189 A E H > S+ 0 0 104 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.902 111.6 52.0 -64.0 -41.6 -14.2 -24.6 22.9 195 190 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.919 112.2 44.9 -58.7 -47.3 -13.7 -22.2 20.0 196 191 A I H X S+ 0 0 27 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.934 113.2 50.1 -65.5 -44.8 -9.9 -22.7 20.1 197 192 A S H X S+ 0 0 63 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.924 111.8 48.0 -62.5 -43.6 -10.1 -26.4 20.4 198 193 A L H X S+ 0 0 26 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.932 112.9 47.4 -63.4 -45.1 -12.5 -26.7 17.4 199 194 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.929 114.3 47.5 -63.2 -41.2 -10.4 -24.4 15.3 200 195 A K H X S+ 0 0 103 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.934 114.5 45.0 -60.7 -55.3 -7.2 -26.3 16.1 201 196 A T H X S+ 0 0 68 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.909 114.1 49.8 -59.1 -44.2 -8.7 -29.7 15.5 202 197 A T H X S+ 0 0 18 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.933 112.5 47.2 -59.6 -48.7 -10.3 -28.6 12.3 203 198 A F H X S+ 0 0 31 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.941 113.5 47.5 -57.7 -49.3 -7.1 -27.1 11.0 204 199 A D H X S+ 0 0 95 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.890 111.5 49.0 -65.8 -39.8 -5.0 -30.2 11.9 205 200 A E H X S+ 0 0 94 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.882 112.5 49.2 -70.4 -32.7 -7.4 -32.7 10.4 206 201 A A H >X S+ 0 0 0 -4,-2.1 3,-1.5 -5,-0.3 4,-0.9 0.932 106.8 55.5 -67.5 -46.2 -7.6 -30.7 7.2 207 202 A M H >< S+ 0 0 87 -4,-2.6 3,-1.0 1,-0.3 4,-0.3 0.903 105.0 53.6 -49.8 -46.8 -3.7 -30.4 7.0 208 203 A A H 3< S+ 0 0 73 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.615 110.7 46.7 -67.5 -16.5 -3.5 -34.2 7.2 209 204 A D H X< S+ 0 0 29 -3,-1.5 3,-1.8 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