==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN/PEPTIDE 07-NOV-05 2C63 . COMPND 2 MOLECULE: 14-3-3 PROTEIN ETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.ELKINS,X.YANG,C.E.A.SMEE,C.JOHANSSON,M.SUNDSTROM,A.EDWAR . 948 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 791 83.4 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 . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 691 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.7 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 0 0 0 0 0 0 0 0 3 4 1 0 4 4 0 7 0 1 0 0 0 4 0 0 0 0 8 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 D > 0 0 113 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 142.2 27.1 15.9 15.5 2 4 A R H > + 0 0 54 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.824 360.0 49.9 -81.2 -38.9 26.0 12.6 13.9 3 5 A E H > S+ 0 0 67 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.948 113.6 49.3 -60.4 -47.3 28.8 10.4 15.1 4 6 A Q H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 112.5 45.1 -59.4 -52.1 28.2 11.7 18.7 5 7 A L H X S+ 0 0 46 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.767 115.5 48.6 -62.1 -30.3 24.4 11.1 18.5 6 8 A L H X S+ 0 0 12 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.850 108.9 51.3 -82.5 -39.4 24.8 7.6 17.0 7 9 A Q H X S+ 0 0 29 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.897 109.6 52.1 -55.7 -48.3 27.4 6.5 19.5 8 10 A R H X S+ 0 0 78 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.873 107.2 52.4 -57.2 -43.3 25.1 7.6 22.2 9 11 A A H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.918 108.2 50.8 -64.8 -39.2 22.2 5.5 20.6 10 12 A R H X S+ 0 0 122 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.892 114.9 42.2 -63.1 -39.0 24.4 2.4 20.6 11 13 A L H X S+ 0 0 9 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.900 112.0 53.6 -76.2 -44.4 25.4 2.7 24.2 12 14 A A H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.2 0.872 107.8 53.2 -56.6 -39.9 21.8 3.6 25.3 13 15 A E H ><5S+ 0 0 57 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.928 108.3 48.0 -59.0 -47.8 20.6 0.4 23.5 14 16 A Q H 3<5S+ 0 0 107 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.888 114.8 46.8 -60.9 -38.2 23.1 -1.7 25.5 15 17 A A T 3<5S- 0 0 4 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.368 110.2-124.4 -83.3 -1.2 22.0 -0.1 28.7 16 18 A E T < 5 + 0 0 127 -3,-1.3 2,-1.0 -4,-0.2 -3,-0.2 0.805 63.8 142.8 53.2 35.6 18.3 -0.5 27.8 17 19 A R >< + 0 0 29 -5,-2.8 4,-1.4 1,-0.2 -1,-0.2 -0.744 20.1 170.0 -98.0 83.2 17.8 3.3 28.2 18 20 A Y H > + 0 0 54 -2,-1.0 4,-2.2 1,-0.2 32,-0.2 0.723 68.6 57.2 -76.6 -24.0 15.4 3.5 25.3 19 21 A D H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 109.6 48.2 -70.2 -37.7 14.1 7.0 25.9 20 22 A D H > S+ 0 0 32 2,-0.2 4,-1.5 -3,-0.2 -2,-0.2 0.836 112.6 49.0 -62.8 -40.7 17.8 8.1 25.6 21 23 A M H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.881 111.5 48.1 -64.2 -45.9 18.1 6.0 22.4 22 24 A A H X S+ 0 0 6 -4,-2.2 4,-2.2 24,-0.2 5,-0.2 0.914 111.0 51.0 -66.6 -39.8 14.9 7.4 20.8 23 25 A S H X S+ 0 0 74 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.906 110.7 49.1 -67.2 -37.1 16.0 11.0 21.6 24 26 A A H X S+ 0 0 2 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.885 114.3 44.7 -67.3 -40.4 19.4 10.5 20.0 25 27 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.714 107.6 57.5 -75.6 -29.6 17.9 8.9 16.8 26 28 A K H X S+ 0 0 62 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.872 110.3 46.5 -63.2 -41.6 15.2 11.6 16.5 27 29 A A H < S+ 0 0 27 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.847 110.0 51.4 -67.8 -42.9 18.1 14.1 16.4 28 30 A V H >< S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.2 5,-0.5 0.934 111.7 48.8 -58.8 -46.4 20.1 12.0 13.9 29 31 A T H >< S+ 0 0 2 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.847 103.4 61.2 -61.2 -35.1 16.9 12.0 11.8 30 32 A E T 3< S+ 0 0 34 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.526 83.1 78.3 -77.3 -7.3 16.5 15.8 12.2 31 33 A L T < S- 0 0 15 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.674 101.6-131.3 -68.5 -18.8 19.8 16.4 10.5 32 34 A N < + 0 0 10 -3,-1.6 -2,-0.1 1,-0.3 -3,-0.1 0.689 65.8 122.4 74.1 23.6 17.9 15.7 7.2 33 35 A E - 0 0 74 -5,-0.5 -1,-0.3 -4,-0.1 -2,-0.1 -0.856 69.6 -90.3-111.0 153.1 20.4 13.2 5.8 34 36 A P - 0 0 94 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.061 35.4-123.7 -57.9 156.8 19.5 9.6 4.9 35 37 A L - 0 0 7 71,-0.1 2,-0.0 4,-0.0 82,-0.0 -0.891 17.6-137.6-106.7 133.9 19.7 6.7 7.3 36 38 A S > - 0 0 56 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.220 37.2 -94.5 -72.4 177.0 21.8 3.6 6.6 37 39 A N H > S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.943 128.7 49.6 -62.1 -46.9 20.4 0.2 7.4 38 40 A E H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 112.1 48.3 -52.2 -49.5 22.1 0.2 10.7 39 41 A D H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.832 108.7 53.8 -59.8 -43.6 20.7 3.7 11.6 40 42 A R H X S+ 0 0 14 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.852 108.7 48.0 -60.8 -43.6 17.2 2.8 10.5 41 43 A N H X S+ 0 0 82 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.881 107.7 55.8 -72.0 -35.9 17.1 -0.2 12.8 42 44 A L H X S+ 0 0 16 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.900 110.4 45.8 -55.8 -46.2 18.5 1.8 15.7 43 45 A L H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.900 114.2 48.6 -61.3 -43.4 15.5 4.2 15.2 44 46 A S H X S+ 0 0 28 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.909 112.8 46.8 -68.2 -41.8 13.1 1.4 14.9 45 47 A V H X S+ 0 0 45 -4,-2.9 4,-1.9 2,-0.2 5,-0.2 0.929 111.5 51.5 -64.3 -48.8 14.4 -0.4 18.0 46 48 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.3 0.960 116.9 38.5 -53.6 -53.9 14.4 2.8 20.1 47 49 A Y H X S+ 0 0 10 -4,-2.3 4,-2.6 1,-0.2 5,-0.4 0.848 109.6 59.4 -75.8 -30.5 10.9 3.7 19.3 48 50 A K H X S+ 0 0 34 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.874 112.2 42.6 -60.6 -37.7 9.5 0.1 19.4 49 51 A N H X S+ 0 0 58 -4,-1.9 4,-1.8 -3,-0.3 -2,-0.2 0.891 113.5 50.5 -78.2 -41.6 10.7 -0.1 23.0 50 52 A V H X S+ 0 0 6 -4,-2.3 4,-1.3 -5,-0.2 3,-0.2 0.984 119.5 36.3 -59.2 -55.1 9.5 3.3 24.0 51 53 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.861 111.9 60.0 -68.4 -36.0 6.0 2.8 22.6 52 54 A G H X S+ 0 0 23 -4,-1.8 4,-2.6 -5,-0.4 -1,-0.2 0.895 102.6 53.2 -58.6 -39.7 5.9 -0.9 23.6 53 55 A A H X S+ 0 0 49 -4,-1.8 4,-2.6 -3,-0.2 -1,-0.2 0.941 111.8 45.2 -59.7 -47.6 6.3 0.1 27.3 54 56 A R H X S+ 0 0 40 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.884 112.8 51.4 -62.6 -40.6 3.3 2.5 27.0 55 57 A R H X S+ 0 0 13 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.910 111.0 47.3 -66.5 -42.6 1.3 -0.1 25.1 56 58 A S H X S+ 0 0 47 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.939 114.6 46.4 -64.1 -45.1 2.0 -2.7 27.8 57 59 A S H X S+ 0 0 7 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.918 110.7 54.2 -62.4 -42.8 1.1 -0.2 30.6 58 60 A W H X S+ 0 0 47 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.881 107.8 48.9 -58.5 -40.9 -2.1 0.9 28.7 59 61 A R H X S+ 0 0 120 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.931 110.7 50.1 -70.0 -45.3 -3.4 -2.8 28.4 60 62 A V H X S+ 0 0 50 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.898 113.7 43.7 -58.0 -46.2 -2.8 -3.5 32.2 61 63 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.852 110.0 57.1 -73.9 -30.9 -4.7 -0.3 33.3 62 64 A S H X S+ 0 0 21 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.853 105.7 51.3 -62.3 -36.7 -7.5 -0.9 30.7 63 65 A S H X S+ 0 0 81 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.896 110.8 47.9 -67.5 -39.4 -8.1 -4.4 32.3 64 66 A I H X S+ 0 0 18 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.962 109.7 52.7 -64.1 -49.0 -8.3 -2.8 35.8 65 67 A E H X S+ 0 0 33 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.806 108.4 50.9 -56.3 -36.1 -10.7 -0.1 34.5 66 68 A Q H X S+ 0 0 86 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.939 112.4 46.1 -66.9 -46.7 -13.0 -2.8 33.0 67 69 A K H X S+ 0 0 64 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.854 111.4 52.2 -64.9 -33.6 -13.0 -4.7 36.4 68 70 A T H X>S+ 0 0 8 -4,-2.7 5,-1.3 2,-0.2 4,-1.1 0.835 106.7 54.2 -73.4 -31.8 -13.7 -1.4 38.3 69 71 A M H <5S+ 0 0 57 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.935 113.0 41.7 -60.5 -48.5 -16.6 -0.7 36.0 70 72 A A H <5S+ 0 0 95 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.873 110.8 55.2 -70.4 -39.8 -18.2 -4.1 36.8 71 73 A D H <5S- 0 0 82 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.802 107.6-135.0 -57.8 -30.5 -17.4 -3.8 40.5 72 74 A G T <5 + 0 0 57 -4,-1.1 2,-1.2 1,-0.2 -3,-0.2 0.651 49.6 152.7 83.0 16.9 -19.3 -0.5 40.2 73 75 A N >< - 0 0 81 -5,-1.3 4,-2.6 1,-0.2 -1,-0.2 -0.660 18.3-179.6 -82.7 95.0 -16.8 1.5 42.2 74 76 A E H > S+ 0 0 174 -2,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.804 75.3 53.0 -70.5 -34.4 -17.4 5.0 40.7 75 77 A K H > S+ 0 0 74 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.860 116.1 38.5 -68.8 -41.2 -14.7 6.9 42.8 76 78 A K H > S+ 0 0 60 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.858 110.6 58.4 -77.0 -42.4 -11.9 4.5 41.8 77 79 A L H X S+ 0 0 45 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.837 102.5 57.0 -56.0 -30.6 -13.1 4.1 38.3 78 80 A E H X S+ 0 0 61 -4,-1.1 4,-2.0 -5,-0.2 -1,-0.2 0.952 110.9 42.9 -60.7 -44.0 -12.7 7.9 38.1 79 81 A K H X S+ 0 0 49 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.882 114.3 48.1 -75.8 -38.3 -9.0 7.5 39.1 80 82 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.901 110.7 52.6 -67.1 -44.8 -8.2 4.5 36.8 81 83 A K H X S+ 0 0 96 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.937 109.3 49.6 -52.4 -52.8 -9.9 6.3 33.8 82 84 A A H X S+ 0 0 54 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.878 112.7 46.7 -53.2 -43.4 -7.7 9.4 34.4 83 85 A Y H X S+ 0 0 4 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.885 110.7 51.3 -71.1 -40.4 -4.4 7.2 34.6 84 86 A R H X S+ 0 0 34 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.911 111.6 49.4 -61.0 -41.3 -5.3 5.2 31.6 85 87 A E H X S+ 0 0 86 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.868 106.6 54.1 -67.1 -38.3 -5.8 8.6 29.8 86 88 A K H X S+ 0 0 83 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.946 112.1 46.0 -56.2 -50.4 -2.4 9.9 31.1 87 89 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.923 110.2 54.1 -57.5 -48.0 -0.8 6.8 29.6 88 90 A E H X S+ 0 0 24 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.895 107.2 49.4 -51.4 -49.8 -2.8 7.2 26.3 89 91 A K H X S+ 0 0 136 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.896 112.1 50.0 -60.9 -39.9 -1.6 10.8 25.8 90 92 A E H X S+ 0 0 58 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.959 113.5 45.2 -58.9 -49.9 1.9 9.5 26.4 91 93 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.891 111.8 51.2 -59.4 -45.4 1.5 6.8 23.9 92 94 A E H X S+ 0 0 62 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.846 108.0 54.0 -63.8 -33.2 -0.1 9.1 21.3 93 95 A T H X S+ 0 0 71 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.899 108.2 47.8 -71.2 -40.6 2.8 11.6 21.7 94 96 A V H X S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.936 113.3 49.2 -63.4 -47.7 5.4 8.9 20.9 95 97 A C H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.901 112.4 46.6 -61.2 -42.8 3.4 7.8 17.9 96 98 A N H X S+ 0 0 81 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.784 109.9 54.2 -73.2 -27.1 3.0 11.3 16.5 97 99 A D H X S+ 0 0 68 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.951 113.0 43.3 -64.0 -48.9 6.7 12.0 17.1 98 100 A V H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.942 113.7 50.9 -59.8 -49.9 7.6 8.9 15.1 99 101 A L H X S+ 0 0 13 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.793 109.5 51.0 -62.0 -30.8 4.9 9.7 12.4 100 102 A S H X S+ 0 0 57 -4,-1.7 4,-2.5 2,-0.2 5,-0.4 0.864 108.1 51.5 -73.0 -41.6 6.3 13.3 12.1 101 103 A L H X>S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 5,-1.8 0.974 114.6 45.0 -53.0 -51.1 9.9 12.0 11.7 102 104 A L H <>S+ 0 0 1 -4,-2.6 5,-2.9 1,-0.2 6,-0.9 0.907 119.6 38.9 -57.2 -49.8 8.5 9.7 8.9 103 105 A D H <5S+ 0 0 104 -4,-2.2 -1,-0.2 4,-0.2 -2,-0.2 0.837 123.0 39.7 -73.0 -35.4 6.4 12.4 7.2 104 106 A K H <5S- 0 0 22 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.790 136.4 -1.7 -92.1 -29.1 8.8 15.3 7.5 105 107 A F T X5S+ 0 0 4 -4,-2.3 4,-2.6 -5,-0.4 -3,-0.2 0.647 123.2 46.4-122.5 -63.9 12.2 13.6 6.9 106 108 A L T 44 - 0 0 84 -2,-0.3 3,-0.9 1,-0.1 7,-0.1 -0.332 26.8-110.2 -57.2 156.8 14.2 8.8 -4.1 112 114 A D T 3 S+ 0 0 133 1,-0.2 -1,-0.1 -2,-0.0 3,-0.1 0.515 124.3 47.5 -61.5 0.0 11.6 7.3 -6.4 113 115 A F T 3 S+ 0 0 139 1,-0.1 2,-1.5 2,-0.0 3,-0.2 0.436 80.5 90.9-126.1 -9.4 14.4 4.5 -6.5 114 116 A Q <> + 0 0 69 -3,-0.9 4,-2.1 1,-0.2 5,-0.1 -0.497 49.6 157.6 -89.0 67.6 15.2 3.9 -2.7 115 117 A Y H > + 0 0 72 -2,-1.5 4,-2.5 1,-0.2 5,-0.2 0.838 64.0 55.4 -68.2 -39.0 12.6 1.2 -2.5 116 118 A E H > S+ 0 0 74 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.946 111.0 46.0 -61.5 -50.8 14.0 -0.7 0.5 117 119 A S H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.893 112.1 51.6 -49.8 -50.3 13.9 2.5 2.5 118 120 A K H X S+ 0 0 26 -4,-2.1 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107.8 51.6 -54.8 -51.6 -1.7 6.1 42.0 243 11 B A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.886 110.7 49.7 -53.5 -43.2 1.3 4.2 43.4 244 12 B R H X S+ 0 0 84 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.890 113.2 45.1 -63.7 -42.0 -0.7 0.9 43.3 245 13 B L H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.934 112.8 51.7 -67.8 -44.2 -1.8 1.6 39.6 246 14 B A H X>S+ 0 0 0 -4,-3.2 5,-2.6 1,-0.2 4,-0.7 0.848 106.8 54.1 -56.4 -42.6 1.8 2.6 38.7 247 15 B E H ><5S+ 0 0 68 -4,-2.1 3,-0.8 2,-0.2 -1,-0.2 0.924 109.9 45.3 -61.7 -47.9 3.2 -0.6 40.2 248 16 B Q H 3<5S+ 0 0 94 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.871 115.0 48.5 -64.0 -37.2 0.9 -2.8 38.2 249 17 B A H 3<5S- 0 0 2 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.516 110.3-127.0 -74.4 -9.7 1.7 -0.6 35.0 250 18 B E T <<5 + 0 0 127 -3,-0.8 2,-0.8 -4,-0.7 -3,-0.2 0.819 63.1 142.9 57.1 38.2 5.4 -1.0 35.9 251 19 B R >< + 0 0 30 -5,-2.6 4,-1.7 1,-0.1 -1,-0.2 -0.782 21.9 173.7-102.9 82.8 5.8 2.7 35.8 252 20 B Y H > S+ 0 0 52 -2,-0.8 4,-2.3 1,-0.2 32,-0.2 0.648 71.4 56.9 -77.5 -16.1 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