==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 28-APR-09 2WH0 . COMPND 2 MOLECULE: 14-3-3 PROTEIN ZETA/DELTA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.KOSTELECKY,A.T.SAURIN,A.PURKISS,P.J.PARKER,N.Q.MCDONALD . 918 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 773 84.2 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 . 88 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 649 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 2 0 0 0 0 0 0 1 2 4 1 0 5 4 3 2 1 1 3 0 1 0 0 0 1 0 7 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 2 A D > 0 0 105 0, 0.0 4,-0.9 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 89.7 34.4 0.9 57.0 2 3 A K H > + 0 0 39 2,-0.2 4,-2.4 3,-0.1 5,-0.1 0.851 360.0 39.8-100.8 -44.5 37.2 -1.7 56.4 3 4 A N H > S+ 0 0 114 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.798 114.1 59.4 -72.4 -29.7 35.5 -5.0 57.1 4 5 A E H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.988 109.2 42.4 -54.9 -57.2 32.6 -3.5 55.2 5 6 A L H X S+ 0 0 39 -4,-0.9 4,-1.5 1,-0.2 -2,-0.2 0.905 113.5 51.2 -54.7 -47.3 35.0 -3.0 52.2 6 7 A V H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.894 109.6 51.4 -62.5 -38.1 36.5 -6.5 52.6 7 8 A Q H X S+ 0 0 49 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.958 109.4 48.0 -60.7 -52.1 33.0 -8.0 52.7 8 9 A K H X S+ 0 0 23 -4,-2.3 4,-2.9 1,-0.3 -1,-0.2 0.723 108.2 58.2 -62.5 -22.0 32.0 -6.3 49.5 9 10 A A H X S+ 0 0 0 -4,-1.5 4,-1.0 -5,-0.2 -1,-0.3 0.890 106.6 45.6 -72.6 -41.7 35.2 -7.5 48.1 10 11 A K H X S+ 0 0 64 -4,-1.9 4,-2.3 -3,-0.3 -2,-0.2 0.832 115.2 51.1 -67.2 -30.7 34.2 -11.1 48.8 11 12 A L H X S+ 0 0 15 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.985 109.5 44.9 -68.1 -62.1 30.8 -10.1 47.3 12 13 A A H <>S+ 0 0 0 -4,-2.9 5,-3.5 1,-0.2 4,-0.5 0.717 112.8 58.3 -55.2 -20.3 32.1 -8.6 44.0 13 14 A E H ><5S+ 0 0 53 -4,-1.0 3,-1.8 3,-0.2 -2,-0.2 0.979 105.6 43.2 -72.1 -59.4 34.3 -11.7 44.0 14 15 A Q H 3<5S+ 0 0 99 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.763 117.9 50.3 -54.9 -24.3 31.5 -14.3 44.1 15 16 A A T 3<5S- 0 0 1 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.594 111.1-124.5 -88.7 -14.3 29.8 -12.0 41.5 16 17 A E T < 5 + 0 0 128 -3,-1.8 2,-0.5 -4,-0.5 -3,-0.2 0.926 64.9 138.0 66.9 45.7 32.9 -11.9 39.3 17 18 A R >< + 0 0 24 -5,-3.5 4,-3.0 1,-0.1 -1,-0.2 -0.809 18.5 166.8-120.0 83.8 33.0 -8.1 39.3 18 19 A Y H > S+ 0 0 48 -2,-0.5 4,-2.1 2,-0.2 32,-0.2 0.692 72.9 62.4 -80.6 -19.6 36.7 -7.5 39.7 19 20 A D H > S+ 0 0 104 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.945 112.6 39.9 -63.0 -46.5 36.5 -3.9 38.9 20 21 A D H >> S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 3,-1.0 0.999 115.8 48.9 -60.3 -66.4 34.3 -3.7 42.0 21 22 A M H 3X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.790 113.5 49.3 -43.0 -37.8 36.4 -6.1 44.0 22 23 A A H 3X S+ 0 0 4 -4,-2.1 4,-1.3 24,-0.2 -1,-0.3 0.849 106.6 53.1 -76.4 -34.9 39.6 -4.1 43.0 23 24 A A H < S+ 0 0 10 -4,-2.8 3,-2.9 1,-0.2 4,-0.5 0.976 113.5 44.4 -42.8 -74.7 41.3 -0.7 51.9 29 30 A T H >< S+ 0 0 2 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.800 107.7 60.6 -38.2 -41.6 45.0 -0.6 51.0 30 31 A E H 3< S+ 0 0 81 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.654 85.2 76.7 -70.8 -14.1 44.9 3.2 50.7 31 32 A Q T << S- 0 0 114 -3,-2.9 -1,-0.2 -4,-1.0 -2,-0.2 0.825 104.6-122.4 -67.0 -32.7 43.8 3.6 54.3 32 33 A G < + 0 0 30 -3,-1.1 2,-0.1 -4,-0.5 -3,-0.1 -0.001 67.2 121.5 123.1 -27.6 47.4 2.9 55.4 33 34 A A S S- 0 0 76 -5,-0.2 -1,-0.4 1,-0.1 -2,-0.1 -0.410 71.5 -95.7 -74.5 142.0 47.3 -0.1 57.7 34 35 A E - 0 0 96 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.109 47.0-112.0 -46.3 149.9 49.3 -3.3 56.9 35 36 A L - 0 0 17 69,-0.1 -1,-0.1 -3,-0.1 -7,-0.0 -0.715 20.9-128.9 -92.2 140.9 47.1 -5.9 55.2 36 37 A S > - 0 0 56 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.118 36.5 -98.3 -67.4 179.5 46.1 -9.1 56.8 37 38 A N H > S+ 0 0 100 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.830 125.9 50.5 -71.9 -29.7 46.7 -12.4 54.9 38 39 A E H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 111.8 46.1 -72.6 -43.2 43.0 -12.3 53.7 39 40 A E H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.865 109.4 54.1 -67.6 -40.1 43.2 -8.7 52.5 40 41 A R H X S+ 0 0 11 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.883 111.7 45.9 -64.6 -35.7 46.5 -9.2 50.7 41 42 A N H X S+ 0 0 53 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.874 109.8 51.8 -76.7 -38.9 45.0 -12.1 48.8 42 43 A L H X S+ 0 0 8 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.888 110.5 51.5 -61.2 -39.0 41.8 -10.4 47.9 43 44 A L H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 5,-0.3 0.940 112.7 44.9 -60.9 -46.7 43.9 -7.6 46.6 44 45 A S H X S+ 0 0 28 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.848 114.4 48.2 -68.8 -36.1 45.9 -10.0 44.5 45 46 A V H X S+ 0 0 50 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.911 111.1 51.2 -69.4 -41.2 42.8 -11.8 43.2 46 47 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.2 -24,-0.2 0.935 118.4 34.1 -62.7 -50.7 41.0 -8.6 42.3 47 48 A Y H X S+ 0 0 12 -4,-2.0 4,-3.8 2,-0.2 5,-0.4 0.808 108.7 64.0 -81.0 -32.1 43.8 -7.1 40.3 48 49 A K H X S+ 0 0 41 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.844 112.0 40.9 -56.2 -32.4 45.1 -10.3 38.8 49 50 A N H X S+ 0 0 63 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.814 114.2 49.9 -86.0 -36.6 41.7 -10.6 37.2 50 51 A V H X S+ 0 0 12 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.955 121.0 36.7 -64.2 -50.6 41.5 -6.9 36.2 51 52 A V H >X S+ 0 0 0 -4,-3.8 4,-2.4 1,-0.2 3,-0.9 0.918 112.3 62.2 -65.2 -41.5 45.0 -7.1 34.7 52 53 A G H 3X S+ 0 0 22 -4,-1.6 4,-2.2 -5,-0.4 -1,-0.2 0.840 97.4 55.3 -54.6 -41.5 44.3 -10.6 33.4 53 54 A A H 3X S+ 0 0 47 -4,-1.8 4,-2.2 2,-0.2 -1,-0.3 0.828 111.0 45.9 -64.5 -33.1 41.4 -9.6 31.2 54 55 A R H < S+ 0 0 35 -4,-3.4 3,-0.5 13,-0.2 -2,-0.2 0.816 119.7 44.0 -69.8 -31.1 47.6 -7.7 14.2 66 67 A Q H >< S+ 0 0 71 -4,-1.9 3,-1.4 -5,-0.3 2,-0.4 0.894 107.6 55.9 -81.2 -43.5 50.7 -9.9 13.5 67 68 A K T 3< S+ 0 0 89 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.1 0.042 106.3 59.8 -73.5 30.9 48.8 -12.5 11.4 68 69 A T T < 0 0 35 -3,-0.5 7,-0.3 -2,-0.4 -1,-0.3 0.230 360.0 360.0-148.5 7.7 47.8 -9.5 9.3 69 70 A E < 0 0 98 -3,-1.4 -3,-0.1 6,-0.1 3,-0.0 0.116 360.0 360.0 -39.0 360.0 51.1 -8.0 8.0 70 ! 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 71 72 A A > 0 0 83 0, 0.0 4,-0.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 102.5 46.4 -6.2 4.8 72 73 A E H >> + 0 0 80 2,-0.2 4,-2.6 3,-0.1 3,-0.6 0.984 360.0 41.2 -86.1 -79.1 47.0 -2.6 5.9 73 74 A K H 3> S+ 0 0 78 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.732 118.4 53.4 -46.8 -25.4 44.0 -0.6 7.1 74 75 A K H 3> S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.925 109.0 45.3 -77.2 -47.3 42.9 -3.8 8.9 75 76 A Q H S+ 0 0 5 -4,-1.3 5,-2.5 1,-0.2 4,-1.6 0.857 109.3 56.6 -66.9 -37.0 50.1 0.7 45.7 100 101 A L H <>S+ 0 0 1 -4,-2.6 5,-1.7 3,-0.2 -1,-0.2 0.759 114.2 38.8 -68.2 -24.7 53.2 -1.6 46.0 101 102 A E H <5S+ 0 0 94 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.890 120.7 38.4 -91.3 -47.9 55.4 1.5 46.5 102 103 A K H <5S- 0 0 66 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.931 136.0 -0.9 -72.9 -46.9 53.4 3.8 48.7 103 104 A F T X5S+ 0 0 54 -4,-1.6 4,-2.0 -5,-0.3 5,-0.2 0.838 121.0 53.1-112.7 -52.1 51.6 1.4 51.1 104 105 A L H > S- 0 0 46 -3,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.401 82.6-127.8 -80.4 156.4 57.3 -9.7 58.0 111 112 A A H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.919 113.3 52.5 -68.6 -43.5 59.7 -11.3 55.6 112 113 A E H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.878 109.7 51.6 -58.0 -38.8 56.8 -13.3 54.0 113 114 A S H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.976 109.8 46.8 -58.9 -58.2 55.1 -9.9 53.6 114 115 A K H X S+ 0 0 32 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.848 115.5 46.8 -55.3 -39.1 58.1 -8.3 51.9 115 116 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.832 108.9 53.5 -74.0 -33.9 58.5 -11.3 49.6 116 117 A F H X S+ 0 0 32 -4,-2.1 4,-1.7 -3,-0.2 -2,-0.2 0.834 114.4 42.8 -68.3 -31.4 54.8 -11.4 48.7 117 118 A Y H X S+ 0 0 10 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.705 113.8 50.4 -89.4 -22.5 54.9 -7.8 47.7 118 119 A L H X S+ 0 0 34 -4,-1.3 4,-1.3 -5,-0.2 -2,-0.2 0.885 110.9 49.1 -77.8 -44.5 58.3 -8.1 45.8 119 120 A K H >X S+ 0 0 24 -4,-2.5 4,-2.2 2,-0.2 3,-1.7 0.988 113.9 46.3 -51.8 -62.2 57.0 -11.1 43.9 120 121 A M H 3X S+ 0 0 4 -4,-1.7 4,-2.6 1,-0.3 5,-0.2 0.872 109.7 53.6 -47.1 -48.2 53.8 -9.1 43.0 121 122 A K H 3X S+ 0 0 44 -4,-1.6 4,-0.8 1,-0.2 -1,-0.3 0.754 112.0 46.5 -59.4 -25.2 55.9 -6.1 42.1 122 123 A G H < S+ 0 0 18 -4,-1.3 3,-1.2 1,-0.2 -2,-0.2 0.942 109.7 53.4 -61.0 -45.7 54.2 -4.3 31.6 129 130 A A H >< S+ 0 0 2 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.840 96.6 65.8 -59.0 -37.0 57.2 -6.1 30.0 130 131 A E H 3< S+ 0 0 42 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.826 116.0 29.5 -53.7 -33.4 54.9 -8.3 27.9 131 132 A V T << S+ 0 0 8 -3,-1.2 2,-0.9 -4,-0.7 -1,-0.3 0.155 92.6 115.0-114.2 14.9 53.7 -5.2 26.1 132 133 A A < + 0 0 18 -3,-1.6 2,-0.3 -4,-0.1 9,-0.1 -0.775 44.2 177.7 -90.2 105.8 56.9 -3.2 26.5 133 134 A A > + 0 0 85 -2,-0.9 3,-0.8 3,-0.1 2,-0.1 -0.802 40.2 2.2-110.4 150.7 58.2 -2.7 23.0 134 135 A G T >> S- 0 0 67 -2,-0.3 3,-0.8 1,-0.2 4,-0.5 -0.436 126.6 -15.2 83.7-153.0 61.3 -0.8 21.8 135 136 A D H 3> S+ 0 0 104 1,-0.2 4,-0.5 2,-0.1 3,-0.5 0.763 131.0 72.9 -53.8 -24.1 63.8 1.0 24.0 136 137 A D H <> S+ 0 0 61 -3,-0.8 4,-1.1 1,-0.2 3,-0.4 0.902 81.4 62.4 -60.0 -50.5 61.0 0.6 26.5 137 138 A K H <> S+ 0 0 89 -3,-0.8 4,-2.2 1,-0.2 5,-0.3 0.794 90.5 71.1 -51.8 -36.4 61.3 -3.1 27.3 138 139 A K H X S+ 0 0 70 -4,-0.5 4,-1.7 -3,-0.5 3,-0.2 0.919 104.0 32.8 -50.0 -66.8 64.8 -3.0 28.6 139 140 A G H X S+ 0 0 39 -4,-0.5 4,-2.2 -3,-0.4 -1,-0.2 0.768 113.9 63.0 -65.4 -26.3 64.4 -1.2 31.9 140 141 A I H X S+ 0 0 16 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.932 105.1 43.3 -65.7 -49.4 61.0 -2.8 32.5 141 142 A V H X S+ 0 0 12 -4,-2.2 4,-3.9 -3,-0.2 5,-0.3 0.902 111.1 58.3 -61.1 -42.5 62.3 -6.4 32.6 142 143 A D H X S+ 0 0 107 -4,-1.7 4,-2.9 -5,-0.3 -2,-0.2 0.915 106.5 46.0 -52.7 -49.9 65.1 -5.1 34.8 143 144 A Q H X S+ 0 0 59 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.910 115.3 48.0 -63.1 -42.5 62.7 -3.8 37.4 144 145 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 -19,-0.2 3,-0.5 0.967 115.5 43.0 -58.8 -55.5 60.7 -7.0 37.2 145 146 A Q H X S+ 0 0 54 -4,-3.9 4,-3.0 1,-0.2 5,-0.2 0.874 111.1 57.6 -60.2 -38.0 63.9 -9.2 37.5 146 147 A Q H X S+ 0 0 71 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.819 111.2 41.0 -61.5 -36.9 65.2 -6.9 40.2 147 148 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.5 -2,-0.2 0.862 115.2 50.1 -81.2 -39.7 62.2 -7.4 42.4 148 149 A Y H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.957 114.1 46.4 -59.8 -48.6 61.9 -11.2 41.7 149 150 A Q H X S+ 0 0 56 -4,-3.0 4,-2.0 2,-0.2 5,-0.2 0.930 114.1 45.3 -61.4 -50.9 65.6 -11.6 42.5 150 151 A E H X S+ 0 0 35 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.923 116.8 47.1 -56.6 -46.1 65.5 -9.5 45.7 151 152 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.914 110.3 54.6 -57.9 -42.7 62.3 -11.4 46.6 152 153 A F H X S+ 0 0 70 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.818 107.9 47.3 -64.6 -34.6 64.0 -14.6 45.8 153 154 A E H X S+ 0 0 107 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.892 110.7 49.9 -79.9 -41.9 67.0 -14.1 48.1 154 155 A I H >< S+ 0 0 52 -4,-1.9 3,-0.8 2,-0.2 5,-0.3 0.980 114.7 45.3 -53.6 -59.6 65.0 -13.1 51.1 155 156 A S H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.3 3,-1.3 0.871 108.8 57.2 -52.8 -43.0 62.8 -16.2 50.7 156 157 A K H 3< S+ 0 0 46 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.857 118.4 31.9 -57.3 -36.9 65.9 -18.3 50.1 157 158 A K T << S+ 0 0 83 -4,-1.6 -1,-0.3 -3,-0.8 -2,-0.2 0.069 130.3 32.8-112.5 22.8 67.3 -17.3 53.4 158 159 A E T <4 S+ 0 0 131 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.2 0.529 107.8 49.1-142.6 -46.9 64.1 -16.8 55.4 159 160 A M S < S- 0 0 24 -4,-1.8 -1,-0.3 -5,-0.3 0, 0.0 -0.489 80.9 -99.2-103.9 172.4 61.3 -19.2 54.4 160 161 A Q > - 0 0 34 -2,-0.2 3,-2.3 1,-0.1 6,-0.2 -0.673 29.5-115.0 -93.5 146.4 61.1 -22.9 53.8 161 162 A P T 3 S+ 0 0 25 0, 0.0 37,-0.3 0, 0.0 -1,-0.1 0.741 119.2 54.9 -43.9 -25.2 61.2 -24.6 50.4 162 163 A T T 3 S+ 0 0 27 35,-0.2 36,-0.1 4,-0.1 5,-0.0 0.659 75.8 119.6 -89.2 -20.3 57.7 -25.6 51.2 163 164 A H <> - 0 0 62 -3,-2.3 4,-3.3 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1,-0.2 -2,-0.2 0.931 114.6 46.5 -53.9 -47.2 64.6 17.2 2.2 528 79 C A H X S+ 0 0 3 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.827 109.7 53.7 -65.4 -35.3 63.4 19.7 4.7 529 80 C R H X S+ 0 0 16 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.931 110.1 46.6 -65.2 -44.9 60.1 17.8 5.2 530 81 C E H X S+ 0 0 105 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.820 111.9 50.4 -70.1 -33.1 61.9 14.5 6.0 531 82 C Y H >X S+ 0 0 37 -4,-1.7 4,-3.1 -5,-0.2 3,-0.9 0.956 107.1 53.8 -67.9 -51.4 64.3 16.2 8.5 532 83 C R H 3X S+ 0 0 35 -4,-2.1 4,-3.2 1,-0.3 -2,-0.2 0.896 107.0 53.1 -45.2 -46.6 61.5 17.9 10.3 533 84 C E H 3X S+ 0 0 92 -4,-1.7 4,-1.2 2,-0.2 -1,-0.3 0.810 110.4 46.5 -65.2 -31.0 59.9 14.5 10.7 534 85 C K H X S+ 0 0 92 -4,-2.9 4,-2.4 2,-0.2 3,-0.8 0.988 111.5 46.4 -59.3 -58.2 59.9 10.9 22.3 542 93 C I H 3X S+ 0 0 15 -4,-2.4 4,-1.4 1,-0.3 -2,-0.2 0.908 110.2 50.9 -49.3 -55.0 61.2 13.5 24.7 543 94 C C H 3X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.792 111.8 50.2 -59.4 -27.4 57.7 15.0 25.4 544 95 C N H X S+ 0 0 2 -4,-1.4 4,-2.4 -5,-0.2 3,-0.6 0.861 108.6 54.0 -87.1 -42.7 58.2 13.6 30.5 547 98 C L H 3X S+ 0 0 15 -4,-1.8 4,-0.6 1,-0.3 -2,-0.2 0.770 108.4 54.5 -61.9 -24.7 54.4 13.2 30.3 548 99 C S H 3X S+ 0 0 74 -4,-1.6 4,-1.7 2,-0.2 5,-0.4 0.701 105.6 50.3 -84.7 -23.9 55.0 9.7 31.6 549 100 C L H <>>S+ 0 0 15 -3,-0.6 5,-2.3 -4,-0.3 4,-1.7 0.891 109.8 51.8 -73.7 -42.7 56.9 11.1 34.6 550 101 C L H <>S+ 0 0 9 -4,-2.4 5,-1.8 4,-0.2 -2,-0.2 0.731 115.7 42.2 -63.0 -22.8 54.0 13.4 35.3 551 102 C E H <5S+ 0 0 63 -4,-0.6 -2,-0.2 -5,-0.2 -1,-0.2 0.889 121.1 32.5 -97.1 -46.7 51.5 10.5 35.1 552 103 C K H <5S- 0 0 53 -4,-1.7 -3,-0.2 3,-0.1 -2,-0.1 0.857 141.8 -3.5 -78.4 -37.7 53.1 7.7 37.1 553 104 C F T X5S+ 0 0 18 -4,-1.7 4,-3.5 -5,-0.4 5,-0.3 0.736 119.2 56.6-117.8 -73.3 54.9 9.9 39.6 554 105 C L T 44 S- 0 0 127 1,-0.1 4,-2.1 2,-0.0 3,-0.3 -0.382 81.2-133.8 -67.7 142.4 51.0 20.5 48.0 561 112 C A H > S+ 0 0 27 2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.878 107.5 61.5 -65.8 -39.2 48.9 22.5 45.5 562 113 C E H > S+ 0 0 38 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.895 108.3 46.2 -50.4 -38.6 51.9 24.6 44.5 563 114 C S H > S+ 0 0 6 -3,-0.3 4,-1.9 2,-0.2 -2,-0.3 0.946 111.0 51.3 -69.1 -49.4 53.3 21.3 43.4 564 115 C K H X S+ 0 0 49 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.872 109.8 48.5 -56.5 -44.9 50.1 20.3 41.6 565 116 C V H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.872 108.5 56.2 -63.6 -36.9 49.8 23.5 39.6 566 117 C F H X S+ 0 0 22 -4,-1.4 4,-1.7 -5,-0.3 -2,-0.2 0.934 114.7 35.8 -61.4 -48.4 53.5 23.2 38.6 567 118 C Y H X S+ 0 0 6 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.876 112.9 56.1 -79.3 -39.9 53.1 19.8 37.1 568 119 C L H X S+ 0 0 16 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.875 112.1 45.5 -59.4 -35.1 49.6 20.3 35.6 569 120 C K H X S+ 0 0 33 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.875 111.7 52.2 -71.7 -39.0 51.0 23.3 33.8 570 121 C M H X S+ 0 0 8 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.883 108.5 50.3 -62.0 -39.3 54.0 21.2 32.8 571 122 C K H X S+ 0 0 54 -4,-3.3 4,-0.5 1,-0.2 -1,-0.2 0.788 112.0 48.1 -68.3 -28.1 51.6 18.6 31.5 572 123 C G H X S+ 0 0 0 -4,-1.1 4,-1.6 -5,-0.2 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-2,-0.2 0.283 98.0 118.3-121.7 6.4 93.0 17.3 27.8 807 133 D A < - 0 0 34 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.1 -0.206 46.2-152.1 -75.6 165.4 96.2 15.1 27.5 808 134 D A > - 0 0 78 1,-0.0 3,-0.9 -2,-0.0 4,-0.3 -0.953 33.6 -67.8-150.2 124.9 98.3 13.8 30.4 809 135 D G T 3> S+ 0 0 65 -2,-0.3 4,-0.9 1,-0.3 -2,-0.0 -0.118 117.3 36.9 52.6-103.0 101.9 12.8 31.2 810 136 D D T 34 S+ 0 0 117 1,-0.2 -1,-0.3 -2,-0.2 -3,-0.0 0.369 133.1 29.9 -73.6 6.0 103.0 9.7 29.4 811 137 D D T <> S+ 0 0 58 -3,-0.9 4,-2.1 3,-0.0 3,-0.3 0.480 101.2 82.1-131.1 -24.8 101.0 10.7 26.2 812 138 D K H >> S+ 0 0 31 -4,-0.3 4,-2.5 1,-0.2 3,-0.5 0.949 88.7 50.4 -48.3 -68.9 101.1 14.5 26.5 813 139 D K H 3X S+ 0 0 82 -4,-0.9 4,-0.6 1,-0.3 -1,-0.2 0.802 111.3 52.4 -44.4 -37.4 104.5 15.1 24.9 814 140 D G H >> S+ 0 0 47 -3,-0.3 4,-2.4 2,-0.2 3,-0.5 0.947 110.7 44.9 -64.7 -50.7 103.5 12.9 22.0 815 141 D I H - 0 0 127 -2,-0.4 3,-1.5 1,-0.1 6,-0.3 -0.304 30.7-115.8 -68.0 156.3 99.7 35.7 0.8 836 162 D P T 3 S+ 0 0 20 0, 0.0 37,-0.2 0, 0.0 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