==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 26-NOV-10 3PQJ . COMPND 2 MOLECULE: BIOFILM GROWTH-ASSOCIATED REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: XYLELLA FASTIDIOSA; . AUTHOR B.G.GUIMARAES,C.E.BENEDETTI . 377 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19439.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 72.9 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 . 36 9.5 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 . 4 1.1 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 . 8 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 49.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 0 2 0 6 0 4 2 2 0 4 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 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 4 0 0 4 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 4 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 13 A M 0 0 134 0, 0.0 2,-0.1 0, 0.0 185,-0.1 0.000 360.0 360.0 360.0 -16.9 15.7 7.3 -3.7 2 14 A T > - 0 0 76 1,-0.1 4,-2.3 184,-0.1 5,-0.1 -0.466 360.0-118.7 -93.3 164.9 16.6 10.1 -6.2 3 15 A R H > S+ 0 0 32 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.790 116.8 59.2 -71.1 -27.4 14.5 13.0 -7.4 4 16 A E H > S+ 0 0 73 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.926 109.2 43.3 -65.2 -44.3 14.8 11.5 -11.0 5 17 A D H > S+ 0 0 74 2,-0.2 4,-0.9 1,-0.2 3,-0.5 0.931 113.6 51.4 -64.9 -45.7 13.2 8.3 -9.7 6 18 A M H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.4 0.883 105.2 56.6 -57.3 -43.8 10.5 10.4 -7.7 7 19 A E H >< S+ 0 0 68 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.839 102.6 55.6 -57.7 -37.9 9.7 12.4 -10.9 8 20 A K H 3< S+ 0 0 85 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.772 115.4 37.5 -67.6 -27.3 8.9 9.1 -12.7 9 21 A R T S+ 0 0 7 -3,-0.8 4,-2.2 -4,-0.4 -1,-0.1 0.727 77.1 48.4 -52.5 -39.1 5.0 11.8 -9.4 11 23 A N H > S+ 0 0 116 -4,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.837 113.0 47.7 -74.2 -36.4 1.4 11.1 -10.8 12 24 A E H > S+ 0 0 89 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.908 115.1 45.7 -68.8 -45.8 1.0 7.9 -8.6 13 25 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 3,-0.5 0.959 113.6 49.0 -61.1 -53.8 2.2 9.8 -5.5 14 26 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.805 108.4 55.3 -57.2 -33.9 -0.1 12.8 -6.3 15 27 A N H X S+ 0 0 114 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.850 107.6 47.3 -66.9 -42.8 -3.0 10.4 -6.8 16 28 A L H X S+ 0 0 12 -4,-1.5 4,-1.9 -3,-0.5 -2,-0.2 0.895 113.1 49.7 -65.7 -41.0 -2.7 8.8 -3.3 17 29 A L H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.906 110.0 50.9 -64.3 -39.2 -2.4 12.4 -1.9 18 30 A K H >< S+ 0 0 35 -4,-2.3 3,-1.3 2,-0.2 4,-0.3 0.950 107.9 52.5 -62.6 -48.8 -5.6 13.4 -3.8 19 31 A T H >< S+ 0 0 19 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.882 117.2 38.9 -51.4 -42.9 -7.4 10.3 -2.4 20 32 A L H 3< S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.2 6,-0.2 0.478 91.6 91.3 -90.8 -0.5 -6.4 11.4 1.1 21 33 A S T << S+ 0 0 19 -3,-1.3 96,-0.2 -4,-0.7 -1,-0.2 0.518 71.3 78.8 -72.5 -9.6 -6.9 15.2 0.5 22 34 A H S <> S- 0 0 61 -3,-0.5 4,-2.3 -4,-0.3 5,-0.2 -0.901 81.9-137.7 -99.8 126.9 -10.5 15.1 1.7 23 35 A P H > S+ 0 0 32 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.824 103.9 51.2 -53.6 -37.1 -10.7 15.0 5.6 24 36 A V H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.930 111.1 47.9 -65.2 -47.0 -13.5 12.3 5.6 25 37 A R H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 112.6 50.7 -59.6 -39.0 -11.4 10.1 3.3 26 38 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 -6,-0.2 -2,-0.2 0.923 110.7 46.3 -65.1 -49.0 -8.3 10.7 5.6 27 39 A M H X S+ 0 0 12 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.856 112.0 52.8 -63.9 -36.8 -10.2 9.7 8.8 28 40 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.936 112.2 44.2 -63.6 -45.9 -11.6 6.6 7.0 29 41 A V H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.906 111.5 53.7 -65.7 -42.3 -8.1 5.5 6.0 30 42 A C H < S+ 0 0 4 -4,-2.6 3,-0.4 1,-0.2 4,-0.4 0.866 112.5 44.9 -58.5 -40.2 -6.7 6.3 9.5 31 43 A T H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 4,-0.3 0.953 108.9 57.7 -67.0 -48.5 -9.4 4.0 10.9 32 44 A L H 3< S+ 0 0 5 -4,-2.5 47,-0.7 1,-0.3 3,-0.4 0.555 89.9 69.7 -62.7 -15.1 -8.8 1.3 8.3 33 45 A V T 3< S+ 0 0 50 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.1 0.819 95.4 58.5 -69.7 -30.3 -5.1 0.8 9.2 34 46 A E S < S- 0 0 108 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.2 0.672 122.9 -77.2 -70.5 -27.7 -6.3 -0.8 12.5 35 47 A G - 0 0 31 -3,-0.4 2,-0.3 -4,-0.3 -1,-0.2 -0.921 68.0 -31.1 152.7-171.8 -8.3 -3.5 10.8 36 48 A E - 0 0 55 -2,-0.3 2,-0.3 42,-0.1 42,-0.2 -0.582 53.6-176.2 -79.8 133.1 -11.5 -4.3 9.0 37 49 A F E -A 77 0A 22 40,-2.0 40,-3.3 -2,-0.3 2,-0.1 -0.984 22.2-125.1-131.7 144.3 -14.7 -2.3 9.9 38 50 A S E > -A 76 0A 5 -2,-0.3 4,-2.1 38,-0.3 38,-0.2 -0.305 35.9-105.1 -74.6 168.1 -18.3 -2.5 8.7 39 51 A V H > S+ 0 0 26 36,-1.6 4,-1.6 1,-0.2 5,-0.1 0.910 125.3 50.7 -61.2 -40.5 -20.1 0.6 7.3 40 52 A G H > S+ 0 0 30 35,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.898 109.4 48.5 -61.8 -46.7 -22.0 0.8 10.6 41 53 A E H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.843 110.2 52.7 -62.8 -38.2 -18.7 0.6 12.7 42 54 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.813 106.0 53.4 -66.6 -34.2 -17.1 3.3 10.4 43 55 A E H X S+ 0 0 71 -4,-1.6 4,-1.6 2,-0.2 5,-0.5 0.888 112.5 45.1 -65.9 -40.4 -20.1 5.6 11.1 44 56 A Q H < S+ 0 0 107 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.848 115.2 48.7 -71.3 -37.8 -19.5 5.1 14.9 45 57 A Q H < S+ 0 0 73 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.891 123.9 25.1 -71.9 -45.7 -15.7 5.6 14.5 46 58 A I H < S- 0 0 1 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.637 95.9-128.3 -98.9 -13.8 -15.6 8.8 12.4 47 59 A G < + 0 0 62 -4,-1.6 2,-0.4 -5,-0.3 -3,-0.1 0.865 64.5 125.8 67.7 40.8 -19.0 10.4 13.3 48 60 A I - 0 0 36 -5,-0.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.989 42.1-156.9-129.7 131.9 -20.3 11.0 9.8 49 61 A G > - 0 0 32 -2,-0.4 4,-1.9 1,-0.1 5,-0.0 -0.232 32.1 -23.6 -97.9-168.3 -23.6 9.6 8.5 50 62 A Q T 4 S+ 0 0 93 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 -0.532 112.7 12.9 -87.4 147.1 -25.2 8.7 5.2 51 63 A P T > S+ 0 0 77 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 -0.997 123.6 58.6 -84.4 -12.1 -24.9 9.5 2.2 52 64 A T H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.831 104.2 52.7 -44.4 -46.9 -21.5 11.1 3.0 53 65 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.953 115.0 38.4 -57.5 -57.8 -19.9 7.9 4.4 54 66 A S H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.766 114.0 56.7 -67.1 -28.1 -20.8 5.7 1.4 55 67 A Q H X S+ 0 0 105 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.895 113.2 40.2 -67.2 -43.1 -20.0 8.5 -1.1 56 68 A Q H X S+ 0 0 24 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.833 113.9 52.6 -77.0 -32.4 -16.4 8.9 0.4 57 69 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.869 107.3 54.7 -68.1 -37.1 -16.0 5.1 0.7 58 70 A G H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 3,-0.2 0.906 105.1 51.1 -60.7 -47.6 -17.0 4.8 -3.0 59 71 A V H X S+ 0 0 60 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.905 111.1 49.9 -55.7 -42.5 -14.2 7.3 -3.9 60 72 A L H X>S+ 0 0 0 -4,-1.7 5,-1.2 2,-0.2 6,-1.0 0.796 109.8 50.3 -66.3 -32.7 -11.8 5.0 -1.9 61 73 A R H ><5S+ 0 0 121 -4,-1.6 3,-0.9 -3,-0.2 -2,-0.2 0.922 110.4 50.0 -68.8 -46.8 -13.1 1.9 -3.8 62 74 A E H 3<5S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.791 107.2 54.3 -60.9 -35.0 -12.5 3.7 -7.2 63 75 A S H 3<5S- 0 0 47 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.665 108.3-129.4 -71.6 -24.1 -8.9 4.6 -6.1 64 76 A G T <<5S+ 0 0 47 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.579 79.0 110.2 82.9 14.5 -8.3 0.9 -5.4 65 77 A I S > - 0 0 66 -16,-1.4 4,-1.3 1,-0.2 3,-0.6 -0.706 55.9-165.1 -81.3 109.0 -2.8 -0.5 -0.3 82 94 A A H 3> S+ 0 0 57 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.794 88.3 62.9 -60.0 -32.0 0.2 -0.9 2.0 83 95 A K H 3> S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.854 102.0 49.9 -61.6 -37.8 1.5 2.5 0.7 84 96 A A H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.887 111.4 48.2 -67.7 -41.4 -1.6 4.3 2.2 85 97 A A H X S+ 0 0 26 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.915 112.6 48.5 -65.3 -44.5 -1.0 2.5 5.6 86 98 A Q H X S+ 0 0 89 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.857 111.9 49.8 -62.6 -38.9 2.7 3.6 5.5 87 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.940 109.6 51.8 -65.4 -44.7 1.7 7.2 4.6 88 100 A V H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.915 109.2 50.1 -56.7 -45.4 -0.8 7.1 7.5 89 101 A N H X S+ 0 0 98 -4,-2.3 4,-1.5 1,-0.2 3,-0.4 0.902 110.2 49.2 -58.9 -47.8 2.0 6.0 9.9 90 102 A A H X S+ 0 0 19 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.886 106.0 58.0 -61.4 -39.4 4.3 8.8 8.7 91 103 A L H X S+ 0 0 1 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.834 103.1 53.6 -60.0 -37.1 1.4 11.4 9.2 92 104 A Y H X S+ 0 0 40 -4,-1.5 4,-2.4 -3,-0.4 -1,-0.2 0.928 109.6 47.9 -61.9 -46.6 1.2 10.3 12.9 93 105 A T H < S+ 0 0 124 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.879 119.9 38.9 -61.0 -41.6 5.0 11.0 13.3 94 106 A I H < S+ 0 0 16 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.883 124.9 34.8 -77.9 -42.7 4.6 14.4 11.5 95 107 A F H < S+ 0 0 3 -4,-3.3 2,-0.2 -5,-0.2 -3,-0.2 0.736 88.2 98.9 -92.8 -23.3 1.3 15.6 13.0 96 108 A C < + 0 0 35 -4,-2.4 2,-0.3 -5,-0.3 9,-0.0 -0.498 42.7 154.3 -70.4 129.2 1.2 14.3 16.6 97 109 A A 0 0 61 -2,-0.2 -3,-0.0 0, 0.0 -4,-0.0 -0.899 360.0 360.0-155.6 129.6 2.2 17.0 19.1 98 110 A Q 0 0 160 -2,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.223 360.0 360.0 -66.9 360.0 1.2 17.2 22.9 99 !* 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 0.0 100 13 B M 0 0 184 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -19.5 -0.3 9.7 19.2 101 14 B T > - 0 0 86 1,-0.1 4,-2.1 -9,-0.0 5,-0.1 -0.474 360.0-118.6 -95.8 166.6 -4.0 8.5 19.1 102 15 B R H > S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.789 115.9 61.2 -70.6 -28.9 -6.6 8.5 16.3 103 16 B E H > S+ 0 0 49 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.930 108.0 41.8 -64.1 -44.4 -8.7 10.8 18.4 104 17 B D H > S+ 0 0 31 2,-0.2 4,-1.2 1,-0.2 3,-0.2 0.910 114.0 53.0 -68.4 -40.4 -5.9 13.5 18.3 105 18 B M H >X S+ 0 0 6 -4,-2.1 4,-0.9 1,-0.2 3,-0.6 0.906 105.3 54.9 -57.4 -42.7 -5.4 12.7 14.5 106 19 B E H 3< S+ 0 0 40 -4,-2.6 3,-0.5 1,-0.2 4,-0.2 0.848 106.4 51.3 -58.7 -38.0 -9.2 13.3 14.0 107 20 B K H 3< S+ 0 0 121 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.754 114.1 44.0 -71.1 -27.1 -8.7 16.8 15.6 108 21 B R H XX S+ 0 0 46 -4,-1.2 4,-2.0 -3,-0.6 3,-0.8 0.487 85.0 106.1 -92.8 -9.9 -5.8 17.5 13.2 109 22 B A H 3X S+ 0 0 3 -4,-0.9 4,-3.1 -3,-0.5 5,-0.1 0.699 75.1 49.8 -44.3 -44.0 -7.6 16.1 10.0 110 23 B N H 3> S+ 0 0 109 -4,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.866 114.5 45.7 -67.1 -38.2 -8.5 19.4 8.1 111 24 B E H <> S+ 0 0 85 -3,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.906 116.0 46.2 -68.6 -45.9 -4.9 20.7 8.5 112 25 B V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 3,-0.5 0.960 113.6 48.6 -61.3 -53.5 -3.5 17.3 7.4 113 26 B A H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.811 108.9 54.8 -57.7 -34.0 -6.0 17.0 4.4 114 27 B N H X S+ 0 0 104 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.841 108.0 47.2 -66.8 -42.9 -5.1 20.6 3.4 115 28 B L H X S+ 0 0 14 -4,-1.6 4,-1.7 -3,-0.5 -2,-0.2 0.903 112.8 49.8 -65.6 -41.0 -1.3 19.9 3.2 116 29 B L H X S+ 0 0 1 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.891 109.7 52.1 -64.4 -35.8 -2.1 16.7 1.2 117 30 B K H >< S+ 0 0 124 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.880 107.0 52.6 -65.0 -41.2 -4.4 18.9 -1.1 118 31 B T H 3< S+ 0 0 21 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.847 116.7 39.0 -62.9 -36.7 -1.4 21.3 -1.6 119 32 B L H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.420 91.0 92.8 -94.1 0.6 0.8 18.3 -2.7 120 33 B S S << S+ 0 0 26 -3,-0.7 -102,-0.2 -4,-0.6 -1,-0.2 0.533 70.6 78.9 -72.6 -8.5 -2.0 16.5 -4.7 121 34 B H S > S- 0 0 63 -3,-0.4 4,-2.2 -4,-0.2 5,-0.2 -0.904 81.4-138.6-100.4 125.2 -0.9 18.3 -7.9 122 35 B P H > S+ 0 0 37 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.831 103.5 49.8 -53.4 -37.4 2.2 16.5 -9.5 123 36 B V H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.931 111.7 48.6 -65.6 -46.8 3.9 19.9 -10.4 124 37 B R H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.850 112.4 50.1 -60.8 -36.3 3.3 21.2 -6.8 125 38 B L H X S+ 0 0 0 -4,-2.2 4,-2.6 -6,-0.2 -2,-0.2 0.918 110.9 47.1 -67.0 -48.6 4.8 17.9 -5.5 126 39 B M H X S+ 0 0 5 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.864 111.2 52.8 -64.1 -36.2 7.9 18.1 -7.7 127 40 B L H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.936 111.9 44.3 -63.6 -45.9 8.4 21.7 -6.7 128 41 B V H X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.905 111.8 54.4 -66.4 -40.1 8.3 20.9 -2.9 129 42 B C H < S+ 0 0 0 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.788 111.3 45.2 -60.6 -35.6 10.6 17.8 -3.6 130 43 B T H >< S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 4,-0.3 0.936 109.6 56.3 -71.6 -46.8 13.2 20.1 -5.2 131 44 B L H >< S+ 0 0 4 -4,-2.4 3,-0.9 1,-0.3 42,-0.6 0.600 88.8 72.9 -63.1 -18.0 12.8 22.7 -2.4 132 45 B V T 3< S+ 0 0 49 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.744 92.9 58.8 -67.4 -24.4 13.7 20.3 0.4 133 46 B E T < S- 0 0 110 -3,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.636 123.3 -79.5 -76.2 -22.5 17.3 20.4 -0.8 134 47 B G < - 0 0 31 -3,-0.9 2,-0.3 -4,-0.3 -1,-0.3 -0.920 69.1 -25.7 148.1-170.4 17.6 24.2 -0.3 135 48 B E - 0 0 73 -2,-0.3 2,-0.4 37,-0.1 37,-0.2 -0.591 54.6-176.4 -79.8 131.8 16.7 27.6 -1.8 136 49 B F E -C 171 0B 24 35,-1.9 35,-3.3 -2,-0.3 -5,-0.0 -0.982 22.4-127.1-130.7 142.4 16.3 27.8 -5.6 137 50 B S E > -C 170 0B 4 -2,-0.4 4,-1.9 33,-0.3 33,-0.2 -0.258 36.3-104.1 -74.6 170.3 15.6 30.7 -7.9 138 51 B V H > S+ 0 0 60 31,-1.6 4,-1.6 2,-0.2 5,-0.1 0.910 125.0 51.6 -63.4 -39.4 12.6 30.5 -10.4 139 52 B G H > S+ 0 0 30 30,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.901 109.2 47.9 -62.1 -47.3 15.2 29.8 -13.2 140 53 B E H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.840 110.6 52.8 -61.7 -38.8 16.9 27.0 -11.2 141 54 B L H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 6,-0.2 0.815 106.1 53.3 -66.9 -34.0 13.4 25.4 -10.5 142 55 B E H X S+ 0 0 121 -4,-1.6 4,-1.1 2,-0.2 5,-0.4 0.883 112.6 45.2 -66.1 -39.8 12.6 25.5 -14.2 143 56 B Q H < S+ 0 0 149 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.856 116.4 46.5 -70.4 -39.7 15.9 23.6 -14.8 144 57 B Q H < S+ 0 0 73 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.869 124.3 27.2 -73.2 -43.3 15.2 21.2 -11.9 145 58 B I H < S- 0 0 9 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.423 94.2-131.2-104.2 -1.0 11.5 20.3 -12.7 146 59 B G < 0 0 67 -4,-1.1 -3,-0.1 -5,-0.2 -4,-0.1 0.856 360.0 360.0 52.7 45.1 11.4 20.8 -16.5 147 60 B I 0 0 120 -5,-0.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.977 360.0 360.0-134.4 360.0 8.2 22.9 -16.5 148 ! 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 0.0 149 67 B Q > 0 0 210 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -42.6 0.8 29.5 -11.4 150 68 B Q H > + 0 0 42 2,-0.2 4,-1.8 1,-0.2 -29,-0.1 0.815 360.0 52.2 -76.0 -29.3 1.8 26.4 -9.3 151 69 B L H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.796 107.6 55.0 -72.8 -29.9 4.3 28.5 -7.2 152 70 B G H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.946 106.7 47.8 -64.9 -50.8 1.4 30.9 -6.7 153 71 B V H X S+ 0 0 54 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.900 113.3 50.4 -56.5 -41.5 -0.8 28.1 -5.2 154 72 B L H X>S+ 0 0 0 -4,-1.8 5,-1.2 2,-0.2 6,-0.7 0.848 110.0 48.9 -64.6 -39.9 2.2 27.2 -3.0 155 73 B R H ><5S+ 0 0 123 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.923 111.0 50.6 -64.1 -47.6 2.6 30.8 -1.8 156 74 B E H 3<5S+ 0 0 167 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.771 106.5 54.9 -61.0 -33.7 -1.1 31.0 -1.0 157 75 B S H 3<5S- 0 0 45 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.639 107.4-129.6 -73.5 -22.2 -0.9 27.7 1.0 158 76 B G T <<5S+ 0 0 45 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.590 76.8 115.0 80.0 15.7 1.9 29.3 3.1 159 77 B I S > - 0 0 68 -16,-1.5 4,-1.3 1,-0.2 3,-0.7 -0.722 56.7-167.2 -81.8 106.9 6.8 24.4 6.3 176 94 B A H 3> S+ 0 0 58 -2,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.805 86.8 63.7 -61.9 -30.2 8.9 21.6 7.9 177 95 B K H 3> S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.844 101.3 50.7 -61.2 -37.1 5.8 19.3 7.9 178 96 B A H <> S+ 0 0 0 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.904 110.6 49.0 -67.3 -41.7 5.9 19.5 4.0 179 97 B A H X S+ 0 0 24 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.919 112.6 47.0 -64.2 -46.6 9.6 18.6 4.0 180 98 B Q H X S+ 0 0 93 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.861 114.4 47.9 -63.5 -37.1 9.0 15.6 6.4 181 99 B L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.945 111.7 49.2 -66.1 -49.8 6.0 14.5 4.3 182 100 B V H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.903 111.8 50.8 -54.5 -43.6 8.1 14.8 1.1 183 101 B N H X S+ 0 0 91 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.836 108.9 49.8 -60.3 -45.5 10.9 12.7 2.9 184 102 B A H X S+ 0 0 16 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.858 104.2 59.9 -64.1 -39.1 8.4 9.9 3.9 185 103 B L H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.839 101.7 53.5 -59.2 -36.8 7.1 9.7 0.3 186 104 B Y H X S+ 0 0 26 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.926 109.4 48.2 -62.9 -46.2 10.6 8.8 -0.9 187 105 B T H < S+ 0 0 106 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.881 119.9 38.6 -60.9 -42.0 10.8 6.0 1.6 188 106 B I H < S+ 0 0 16 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.880 125.1 34.6 -77.4 -43.6 7.3 4.7 0.6 189 107 B F H < S+ 0 0 4 -4,-3.3 2,-0.2 -5,-0.2 -3,-0.2 0.739 88.9 96.1 -92.3 -23.6 7.5 5.3 -3.2 190 108 B C < 0 0 23 -4,-2.4 -184,-0.0 -5,-0.3 -4,-0.0 -0.530 360.0 360.0 -71.1 128.4 11.1 4.6 -4.2 191 109 B A 0 0 130 -2,-0.2 -1,-0.1 -186,-0.0 -2,-0.1 0.170 360.0 360.0-140.5 360.0 11.5 0.9 -5.4 192 !* 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 0.0 193 13 C M 0 0 135 0, 0.0 2,-0.1 0, 0.0 185,-0.1 0.000 360.0 360.0 360.0 -16.0 -30.8 38.7 23.6 194 14 C T > - 0 0 75 1,-0.1 4,-2.2 184,-0.1 5,-0.1 -0.468 360.0-117.7 -94.1 166.3 -31.6 35.9 21.1 195 15 C R H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.804 117.0 59.3 -72.0 -27.9 -29.5 32.9 20.0 196 16 C E H > S+ 0 0 73 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.933 108.9 43.1 -63.9 -46.0 -29.8 34.4 16.4 197 17 C D H > S+ 0 0 76 2,-0.2 4,-0.9 1,-0.2 3,-0.4 0.928 114.1 51.3 -64.2 -43.7 -28.1 37.6 17.7 198 18 C M H >< S+ 0 0 2 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.889 105.4 56.5 -57.9 -43.6 -25.5 35.5 19.7 199 19 C E H >< S+ 0 0 78 -4,-2.7 3,-0.8 1,-0.3 4,-0.3 0.831 102.5 55.8 -57.7 -37.5 -24.8 33.5 16.5 200 20 C K H 3< S+ 0 0 83 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.769 115.4 37.1 -67.8 -28.0 -23.9 36.8 14.7 201 21 C R T S+ 0 0 7 -3,-0.8 4,-2.9 -4,-0.3 -1,-0.1 0.819 78.1 48.3 -52.4 -42.2 -20.0 34.1 18.0 203 23 C N H > S+ 0 0 116 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.848 113.2 47.4 -69.2 -37.9 -16.4 34.8 16.5 204 24 C E H > S+ 0 0 87 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.912 115.6 45.0 -68.1 -46.4 -16.1 38.0 18.7 205 25 C V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 3,-0.5 0.956 113.9 49.5 -62.4 -52.6 -17.2 36.1 21.9 206 26 C A H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.812 107.8 55.7 -57.1 -34.7 -15.0 33.1 21.1 207 27 C N H X S+ 0 0 111 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.852 107.8 46.7 -65.6 -43.3 -12.0 35.4 20.5 208 28 C L H X S+ 0 0 12 -4,-1.5 4,-2.0 -3,-0.5 -2,-0.2 0.887 112.6 50.2 -66.2 -40.9 -12.3 37.1 24.0 209 29 C L H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.899 109.5 52.3 -63.6 -35.7 -12.6 33.6 25.5 210 30 C K H >< S+ 0 0 100 -4,-2.0 3,-0.6 2,-0.2 -2,-0.2 0.892 107.1 51.8 -66.4 -41.0 -9.5 32.6 23.5 211 31 C T H >< S+ 0 0 17 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.888 116.8 39.8 -62.0 -39.1 -7.6 35.7 25.0 212 32 C L H 3< S+ 0 0 0 -4,-2.0 6,-0.3 1,-0.2 -1,-0.2 0.486 91.3 92.0 -91.9 1.7 -8.7 34.5 28.6 213 33 C S T << S+ 0 0 16 -4,-0.7 96,-0.2 -3,-0.6 -1,-0.2 0.529 71.4 77.4 -72.1 -9.7 -8.1 30.7 27.8 214 34 C H S <> S- 0 0 60 -3,-0.5 4,-2.4 -4,-0.2 5,-0.2 -0.906 81.6-138.2-102.4 126.4 -4.5 30.9 29.1 215 35 C P H > S+ 0 0 32 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.832 103.8 50.6 -53.3 -37.7 -4.3 30.9 33.0 216 36 C V H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.930 111.3 48.4 -63.4 -47.8 -1.6 33.7 33.0 217 37 C R H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 112.1 50.4 -58.3 -42.2 -3.7 35.8 30.6 218 38 C L H X S+ 0 0 1 -4,-2.4 4,-2.6 -6,-0.3 -2,-0.2 0.907 110.4 47.3 -62.9 -49.1 -6.7 35.3 32.9 219 39 C M H X S+ 0 0 23 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.863 111.5 52.7 -63.6 -36.3 -4.8 36.3 36.2 220 40 C L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.934 111.7 44.5 -64.2 -45.8 -3.4 39.4 34.4 221 41 C V H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.906 111.5 54.3 -65.5 -39.7 -7.0 40.5 33.3 222 42 C C H < S+ 0 0 4 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.782 112.6 43.8 -60.8 -35.1 -8.3 39.7 36.9 223 43 C T H >< S+ 0 0 0 -4,-1.5 3,-1.7 -3,-0.2 4,-0.3 0.931 108.9 58.3 -74.7 -47.7 -5.6 42.0 38.3 224 44 C L H 3< S+ 0 0 5 -4,-2.6 47,-0.7 1,-0.3 3,-0.3 0.544 90.4 69.2 -62.4 -12.8 -6.2 44.7 35.6 225 45 C V T 3< S+ 0 0 51 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.773 95.4 58.0 -74.1 -26.9 -10.0 45.1 36.6 226 46 C E S < S- 0 0 110 -3,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.648 122.9 -78.4 -73.4 -26.3 -8.8 46.7 39.9 227 47 C G - 0 0 32 -4,-0.3 2,-0.3 -3,-0.3 -1,-0.3 -0.915 68.0 -29.3 150.4-171.9 -6.8 49.5 38.2 228 48 C E - 0 0 55 -2,-0.3 2,-0.3 42,-0.1 42,-0.2 -0.581 53.8-177.6 -79.8 132.8 -3.5 50.3 36.3 229 49 C F E -E 269 0C 21 40,-1.9 40,-3.4 -2,-0.3 2,-0.1 -0.983 22.5-125.4-131.6 146.0 -0.4 48.3 37.2 230 50 C S E > -E 268 0C 4 -2,-0.3 4,-2.3 38,-0.3 38,-0.2 -0.373 35.7-104.2 -80.7 167.5 3.2 48.5 36.0 231 51 C V H > S+ 0 0 27 36,-1.7 4,-1.6 1,-0.2 5,-0.1 0.907 125.3 50.3 -58.4 -40.9 5.0 45.4 34.6 232 52 C G H > S+ 0 0 31 35,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.898 109.8 48.6 -62.4 -46.8 6.9 45.2 38.0 233 53 C E H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.844 110.3 52.7 -62.1 -38.6 3.6 45.4 40.1 234 54 C L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 6,-0.3 0.810 106.0 53.3 -66.5 -34.2 2.0 42.7 37.8 235 55 C E H X S+ 0 0 71 -4,-1.6 4,-1.2 2,-0.2 5,-0.5 0.888 112.5 45.1 -66.1 -40.4 5.1 40.4 38.4 236 56 C Q H < S+ 0 0 146 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.846 116.0 47.4 -71.2 -37.6 4.5 40.9 42.2 237 57 C Q H < S+ 0 0 76 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.877 123.9 27.0 -73.5 -43.7 0.7 40.4 41.8 238 58 C I H < S- 0 0 5 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.462 95.3-130.0-102.6 -2.8 0.6 37.2 39.7 239 59 C G < + 0 0 68 -4,-1.2 2,-0.4 -5,-0.2 -3,-0.1 0.844 64.3 126.4 56.2 41.1 4.0 35.6 40.7 240 60 C I - 0 0 41 -5,-0.5 -1,-0.2 -6,-0.3 -2,-0.2 -0.988 42.4-156.7-128.6 131.2 5.2 35.0 37.1 241 61 C G > - 0 0 32 -2,-0.4 4,-1.9 1,-0.1 3,-0.0 -0.239 31.9 -25.6 -97.4-170.1 8.5 36.3 35.9 242 62 C Q T 4 S+ 0 0 94 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 -0.530 112.6 13.6 -86.4 147.5 10.1 37.2 32.6 243 63 C P T > S+ 0 0 77 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 -0.997 123.6 58.1 -84.3 -12.5 9.8 36.5 29.6 244 64 C T H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.828 104.3 53.1 -44.6 -46.1 6.4 34.8 30.3 245 65 C L H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.957 114.8 38.5 -57.8 -57.0 4.9 38.0 31.8 246 66 C S H > S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.778 113.7 56.8 -67.4 -28.9 5.7 40.2 28.8 247 67 C Q H X S+ 0 0 105 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.896 111.9 41.9 -66.4 -43.6 4.9 37.4 26.3 248 68 C Q H X S+ 0 0 24 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.831 113.1 52.6 -75.1 -31.0 1.4 37.1 27.7 249 69 C L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.802 106.3 55.9 -72.2 -30.4 1.0 40.9 27.9 250 70 C G H X S+ 0 0 13 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.943 105.7 49.3 -63.5 -49.7 2.0 41.0 24.2 251 71 C V H X S+ 0 0 61 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.901 112.8 49.0 -55.8 -42.2 -0.9 38.5 23.4 252 72 C L H X>S+ 0 0 0 -4,-1.7 5,-1.2 2,-0.2 6,-0.9 0.826 110.3 49.9 -66.9 -36.3 -3.2 40.9 25.4 253 73 C R H ><5S+ 0 0 127 -4,-1.9 3,-1.0 2,-0.2 -2,-0.2 0.931 110.9 49.9 -65.9 -47.0 -1.9 44.0 23.6 254 74 C E H 3<5S+ 0 0 92 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.789 106.9 54.9 -60.5 -35.0 -2.5 42.2 20.2 255 75 C S H 3<5S- 0 0 44 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.654 108.0-129.8 -71.3 -23.4 -6.1 41.3 21.3 256 76 C G T <<5S+ 0 0 47 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.576 78.1 111.7 81.1 16.3 -6.8 45.0 22.0 257 77 C I S > - 0 0 67 -16,-1.4 4,-1.3 1,-0.2 3,-0.6 -0.712 55.8-165.7 -81.5 108.4 -12.2 46.4 27.1 274 94 C A H 3> S+ 0 0 57 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.797 87.9 62.9 -60.4 -32.0 -15.3 46.8 29.4 275 95 C K H 3> S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.855 102.1 49.7 -61.3 -37.4 -16.6 43.5 28.1 276 96 C A H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.893 111.2 48.5 -68.1 -41.6 -13.5 41.7 29.5 277 97 C A H X S+ 0 0 26 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.928 112.6 48.3 -64.2 -45.7 -14.0 43.4 32.9 278 98 C Q H X S+ 0 0 97 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.849 111.8 50.1 -61.5 -40.1 -17.7 42.4 32.9 279 99 C L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.943 109.6 51.2 -65.2 -44.7 -16.7 38.8 32.0 280 100 C V H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.918 109.4 50.8 -57.9 -44.0 -14.2 38.8 34.9 281 101 C N H X S+ 0 0 101 -4,-2.3 4,-1.6 1,-0.2 3,-0.3 0.906 110.2 48.8 -58.6 -47.9 -16.9 39.9 37.3 282 102 C A H X S+ 0 0 19 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.888 106.3 57.9 -60.9 -39.9 -19.3 37.1 36.1 283 103 C L H X S+ 0 0 1 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.837 102.9 53.7 -60.3 -37.0 -16.5 34.6 36.5 284 104 C Y H X S+ 0 0 40 -4,-1.5 4,-2.4 -3,-0.3 -1,-0.2 0.930 109.6 47.8 -62.1 -46.5 -16.2 35.6 40.3 285 105 C T H < S+ 0 0 123 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.880 120.0 38.7 -60.9 -41.9 -20.0 34.9 40.7 286 106 C I H < S+ 0 0 15 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.877 125.0 34.9 -77.9 -42.7 -19.6 31.5 38.9 287 107 C F H < S+ 0 0 2 -4,-3.3 2,-0.2 -5,-0.2 -3,-0.2 0.732 88.3 98.5 -92.6 -23.5 -16.3 30.3 40.3 288 108 C C < + 0 0 39 -4,-2.4 2,-0.3 -5,-0.3 9,-0.0 -0.512 43.1 154.9 -70.3 128.4 -16.1 31.6 43.9 289 109 C A 0 0 79 -2,-0.2 -3,-0.0 7,-0.0 -4,-0.0 -0.903 360.0 360.0-154.7 128.5 -17.1 28.9 46.5 290 110 C Q 0 0 162 -2,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.236 360.0 360.0 -68.5 360.0 -16.1 28.6 50.2 291 !* 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 0.0 292 13 D M 0 0 184 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -20.3 -14.6 36.3 46.5 293 14 D T > - 0 0 72 1,-0.1 4,-2.1 -9,-0.0 5,-0.1 -0.471 360.0-119.3 -94.5 166.2 -11.0 37.4 46.4 294 15 D R H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.787 116.4 59.7 -71.2 -29.0 -8.4 37.5 43.6 295 16 D E H > S+ 0 0 54 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.929 108.2 43.3 -64.4 -44.8 -6.3 35.1 45.7 296 17 D D H > S+ 0 0 88 2,-0.2 4,-1.1 1,-0.2 3,-0.4 0.927 113.7 51.7 -65.2 -43.6 -9.2 32.6 45.7 297 18 D M H >X S+ 0 0 5 -4,-2.1 4,-0.9 1,-0.2 3,-0.6 0.887 105.2 56.4 -57.7 -42.5 -9.7 33.2 41.9 298 19 D E H 3< S+ 0 0 55 -4,-2.6 3,-0.4 1,-0.2 4,-0.2 0.839 105.1 52.2 -58.5 -37.3 -5.9 32.6 41.3 299 20 D K H 3< S+ 0 0 160 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.758 113.7 42.3 -70.3 -30.2 -6.3 29.1 43.0 300 21 D R H XX S+ 0 0 58 -4,-1.1 4,-2.0 -3,-0.6 3,-0.9 0.468 86.7 108.5 -90.4 -11.4 -9.3 28.3 40.5 301 22 D A H 3X S+ 0 0 4 -4,-0.9 4,-3.0 -3,-0.4 5,-0.1 0.692 74.0 48.2 -38.9 -48.0 -7.4 29.8 37.4 302 23 D N H 3> S+ 0 0 114 -4,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.865 115.0 46.9 -67.3 -37.1 -6.5 26.6 35.5 303 24 D E H <> S+ 0 0 84 -3,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.906 115.2 45.8 -68.3 -46.0 -10.1 25.3 35.9 304 25 D V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 3,-0.4 0.959 113.8 48.7 -61.9 -52.5 -11.5 28.7 34.8 305 26 D A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.809 109.0 54.7 -57.9 -33.9 -9.1 28.9 31.8 306 27 D N H X S+ 0 0 99 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.844 107.9 47.3 -66.8 -43.3 -10.0 25.3 30.7 307 28 D L H X S+ 0 0 14 -4,-1.6 4,-1.8 -3,-0.4 -2,-0.2 0.897 112.8 49.9 -65.4 -40.7 -13.7 26.1 30.5 308 29 D L H < S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.913 109.2 52.4 -64.8 -37.6 -12.9 29.2 28.6 309 30 D K H >< S+ 0 0 126 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.872 106.9 52.6 -62.8 -41.8 -10.7 27.1 26.3 310 31 D T H 3< S+ 0 0 20 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.872 116.4 39.0 -60.7 -41.3 -13.7 24.6 25.7 311 32 D L T 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.351 91.3 93.1 -89.6 1.3 -16.0 27.6 24.7 312 33 D S S < S+ 0 0 4 -3,-0.7 -102,-0.2 -4,-0.5 -1,-0.2 0.552 70.1 78.8 -74.0 -8.6 -13.1 29.4 22.7 313 34 D H S > S- 0 0 56 -3,-0.5 4,-2.2 -4,-0.2 5,-0.2 -0.898 81.6-137.9 -99.6 126.3 -14.2 27.7 19.4 314 35 D P H > S+ 0 0 36 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.834 104.1 49.2 -53.7 -37.6 -17.3 29.4 17.9 315 36 D V H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 112.1 48.8 -66.5 -45.5 -19.0 26.1 17.0 316 37 D R H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.828 112.2 50.0 -62.8 -34.5 -18.4 24.8 20.5 317 38 D L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.921 111.3 46.9 -68.3 -48.9 -19.9 28.1 21.9 318 39 D M H X S+ 0 0 8 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.869 111.5 52.5 -63.7 -36.6 -23.0 27.9 19.7 319 40 D L H X S+ 0 0 9 -4,-2.4 4,-2.3 2,-0.2 3,-0.2 0.927 112.0 44.4 -63.4 -45.7 -23.5 24.2 20.7 320 41 D V H X S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.908 111.2 55.1 -66.5 -39.5 -23.3 25.1 24.4 321 42 D C H < S+ 0 0 0 -4,-2.6 -1,-0.2 2,-0.2 4,-0.2 0.774 111.5 43.9 -61.9 -33.5 -25.7 28.1 23.8 322 43 D T H >< S+ 0 0 0 -4,-1.6 3,-1.6 -3,-0.2 4,-0.3 0.925 109.7 57.6 -74.9 -45.8 -28.3 25.8 22.2 323 44 D L H >< S+ 0 0 5 -4,-2.3 42,-0.6 1,-0.3 3,-0.6 0.597 89.7 70.9 -61.4 -17.8 -27.8 23.2 25.0 324 45 D V T 3< S+ 0 0 48 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.733 94.5 57.0 -71.0 -23.1 -28.7 25.6 27.8 325 46 D E T < S- 0 0 113 -3,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.678 123.5 -82.2 -77.1 -25.2 -32.4 25.5 26.6 326 47 D G < - 0 0 30 -3,-0.6 2,-0.3 -4,-0.3 -1,-0.3 -0.941 67.7 -22.4 149.3-169.1 -32.5 21.7 27.0 327 48 D E - 0 0 72 -2,-0.3 2,-0.4 37,-0.1 37,-0.2 -0.582 53.9-178.8 -79.0 131.8 -31.7 18.3 25.5 328 49 D F E -G 363 0D 25 35,-2.0 35,-3.3 -2,-0.3 -5,-0.0 -0.985 22.9-128.8-130.6 140.9 -31.3 18.2 21.7 329 50 D S E > -G 362 0D 5 -2,-0.4 4,-1.8 33,-0.3 33,-0.3 -0.261 37.0-101.7 -76.3 173.7 -30.6 15.2 19.5 330 51 D V H > S+ 0 0 60 31,-1.6 4,-1.6 2,-0.2 5,-0.1 0.907 125.3 51.4 -63.7 -40.3 -27.7 15.4 16.9 331 52 D G H > S+ 0 0 29 30,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.896 109.4 48.2 -61.7 -47.0 -30.3 16.1 14.1 332 53 D E H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.840 110.5 52.7 -61.9 -38.8 -31.9 18.9 16.1 333 54 D L H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 6,-0.2 0.813 106.1 53.2 -66.7 -34.0 -28.4 20.5 16.8 334 55 D E H X S+ 0 0 123 -4,-1.6 4,-1.2 2,-0.2 5,-0.5 0.888 112.4 45.4 -66.2 -39.9 -27.7 20.4 13.1 335 56 D Q H < S+ 0 0 150 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.854 116.3 46.6 -70.2 -39.5 -31.0 22.3 12.5 336 57 D Q H < S+ 0 0 71 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.875 124.1 27.2 -73.1 -44.0 -30.2 24.8 15.4 337 58 D I H < S- 0 0 9 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.466 94.4-130.9-103.0 -2.4 -26.6 25.7 14.6 338 59 D G < 0 0 66 -4,-1.2 -3,-0.1 -5,-0.2 -4,-0.1 0.874 360.0 360.0 54.8 44.5 -26.5 25.2 10.8 339 60 D I 0 0 123 -5,-0.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.981 360.0 360.0-133.8 360.0 -23.3 23.1 10.8 340 ! 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 0.0 341 67 D Q > 0 0 88 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -37.6 -16.0 16.5 16.0 342 68 D Q H > + 0 0 47 2,-0.2 4,-1.6 1,-0.2 -29,-0.1 0.755 360.0 52.8 -81.8 -24.7 -16.8 19.5 18.1 343 69 D L H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.789 107.3 55.9 -75.2 -27.0 -19.4 17.4 20.1 344 70 D G H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.925 105.9 47.3 -65.6 -50.2 -16.4 15.1 20.6 345 71 D V H X S+ 0 0 35 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.894 113.6 50.2 -58.8 -40.2 -14.2 17.8 22.1 346 72 D L H X>S+ 0 0 0 -4,-1.6 5,-1.3 2,-0.2 6,-0.9 0.829 109.7 49.8 -68.6 -35.8 -17.3 18.8 24.4 347 73 D R H ><5S+ 0 0 121 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.932 110.9 49.8 -65.2 -47.2 -17.7 15.1 25.5 348 74 D E H 3<5S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.763 106.8 55.1 -61.8 -33.0 -13.9 14.9 26.3 349 75 D S H 3<5S- 0 0 46 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.642 107.8-129.1 -73.6 -22.2 -14.2 18.2 28.3 350 76 D G T <<5S+ 0 0 47 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.614 78.2 112.7 79.6 18.2 -17.0 16.6 30.4 351 77 D I S > - 0 0 66 -16,-1.4 4,-1.3 1,-0.2 3,-0.7 -0.732 57.1-166.8 -82.5 107.0 -21.7 21.5 33.6 368 94 D A H 3> S+ 0 0 57 -2,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.800 86.6 63.7 -62.2 -29.5 -23.9 24.2 35.3 369 95 D K H 3> S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.842 101.3 50.5 -61.4 -37.3 -20.9 26.6 35.3 370 96 D A H <> S+ 0 0 0 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.902 110.8 48.6 -66.9 -42.1 -20.9 26.5 31.4 371 97 D A H X S+ 0 0 24 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.924 112.7 47.9 -64.3 -45.7 -24.6 27.3 31.4 372 98 D Q H X S+ 0 0 91 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.857 113.6 48.3 -61.9 -39.3 -24.0 30.2 33.8 373 99 D L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.938 110.3 50.4 -66.4 -50.5 -21.1 31.4 31.7 374 100 D V H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.874 110.6 50.9 -55.5 -39.5 -23.1 31.2 28.5 375 101 D N H X S+ 0 0 90 -4,-2.1 4,-1.5 2,-0.2 3,-0.3 0.887 109.0 50.3 -63.6 -46.1 -25.9 33.3 30.2 376 102 D A H X S+ 0 0 16 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.881 104.9 58.5 -61.2 -39.9 -23.4 36.0 31.3 377 103 D L H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.836 102.6 53.2 -59.2 -37.4 -22.1 36.2 27.7 378 104 D Y H X S+ 0 0 25 -4,-1.2 4,-2.4 -3,-0.3 -1,-0.2 0.926 109.6 48.2 -62.6 -46.6 -25.7 37.1 26.5 379 105 D T H < S+ 0 0 107 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.880 119.9 38.7 -60.6 -41.6 -25.8 40.0 29.0 380 106 D I H < S+ 0 0 16 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.879 125.0 34.6 -77.9 -43.3 -22.3 41.2 28.0 381 107 D F H < 0 0 9 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.730 360.0 360.0 -92.6 -23.1 -22.5 40.7 24.2 382 108 D C < 0 0 63 -4,-2.4 -184,-0.0 -5,-0.3 -4,-0.0 -0.514 360.0 360.0 -71.3 360.0 -26.2 41.4 23.2