==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 01-SEP-08 3ECO . COMPND 2 MOLECULE: MEPR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.G.BRENNAN,M.KUMARASWAMI . 264 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 78.4 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 . 16 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 2 1 0 0 4 1 0 0 0 2 0 0 2 0 1 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 . 1 1 0 1 1 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 2 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 F 0 0 102 0, 0.0 2,-0.1 0, 0.0 259,-0.0 0.000 360.0 360.0 360.0 -27.9 22.6 23.8 15.4 2 4 A T > - 0 0 44 1,-0.1 4,-1.8 4,-0.0 5,-0.1 -0.418 360.0-129.1 -81.0 156.0 19.7 21.4 14.7 3 5 A Y H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.830 109.7 58.0 -72.1 -31.9 16.7 21.0 17.0 4 6 A S H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.895 109.5 43.2 -63.7 -41.9 17.2 17.3 17.0 5 7 A Y H > S+ 0 0 119 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.874 117.0 47.3 -71.0 -40.3 20.7 17.6 18.4 6 8 A L H X S+ 0 0 5 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.946 112.7 46.9 -67.5 -50.5 19.7 20.3 20.9 7 9 A F H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.878 117.0 43.6 -60.4 -40.3 16.6 18.5 22.2 8 10 A R H X S+ 0 0 162 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.849 112.4 51.1 -75.7 -36.4 18.5 15.2 22.7 9 11 A M H X S+ 0 0 49 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.866 112.6 47.7 -67.6 -37.1 21.6 16.7 24.2 10 12 A I H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.960 112.4 47.3 -67.8 -51.5 19.5 18.6 26.7 11 13 A S H X S+ 0 0 29 -4,-2.0 4,-2.1 -5,-0.2 5,-0.2 0.927 114.7 48.4 -55.1 -46.2 17.5 15.5 27.7 12 14 A H H X S+ 0 0 92 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.960 113.9 45.2 -58.1 -52.5 20.7 13.6 28.0 13 15 A E H X S+ 0 0 31 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.799 110.7 54.4 -62.8 -31.6 22.3 16.2 30.1 14 16 A M H X S+ 0 0 22 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.888 109.7 46.2 -71.2 -38.4 19.2 16.6 32.3 15 17 A K H X S+ 0 0 114 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.890 111.2 53.3 -69.5 -39.2 19.2 12.9 33.0 16 18 A Q H X S+ 0 0 104 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.897 113.0 43.6 -62.2 -41.0 22.9 13.0 33.7 17 19 A K H X S+ 0 0 46 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 113.4 50.3 -71.0 -45.2 22.4 15.9 36.2 18 20 A A H X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.942 112.2 46.7 -60.0 -47.2 19.3 14.3 37.9 19 21 A D H X S+ 0 0 35 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.862 107.8 57.9 -63.2 -32.2 21.1 11.0 38.4 20 22 A Q H < S+ 0 0 106 -4,-1.4 -1,-0.2 -5,-0.3 4,-0.2 0.918 109.8 45.3 -62.0 -40.2 24.1 13.0 39.7 21 23 A K H >< S+ 0 0 55 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.908 109.2 53.6 -68.7 -45.2 21.7 14.4 42.3 22 24 A L H ><>S+ 0 0 6 -4,-2.5 5,-1.7 1,-0.3 3,-1.4 0.751 96.7 67.1 -63.9 -25.9 20.0 11.1 43.2 23 25 A E G ><5S+ 0 0 91 -4,-1.6 3,-0.7 1,-0.3 -1,-0.3 0.607 85.8 69.7 -72.9 -9.3 23.4 9.4 43.9 24 26 A Q G < 5S+ 0 0 128 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.455 105.1 41.7 -84.9 0.6 23.8 11.7 46.9 25 27 A F G < 5S- 0 0 70 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.127 123.0-114.3-122.8 6.2 21.0 9.7 48.4 26 28 A D T < 5S+ 0 0 97 -3,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.913 72.5 135.4 56.3 49.0 22.7 6.5 47.0 27 29 A I < - 0 0 1 -5,-1.7 -1,-0.2 -8,-0.2 -2,-0.2 -0.993 46.6-138.6-128.4 131.2 19.8 5.9 44.6 28 30 A T > - 0 0 54 -2,-0.4 4,-2.0 -3,-0.1 5,-0.1 -0.274 31.6-100.0 -81.7 173.5 20.1 5.0 40.9 29 31 A N H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.924 124.4 41.8 -58.7 -48.1 18.0 6.3 38.1 30 32 A E H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.864 111.4 54.1 -70.9 -36.9 15.8 3.2 38.0 31 33 A Q H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 108.2 54.7 -63.0 -32.6 15.6 3.0 41.8 32 34 A G H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.920 107.7 45.5 -66.3 -46.3 14.4 6.6 41.5 33 35 A H H X S+ 0 0 104 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.883 112.8 52.0 -66.1 -37.9 11.5 5.8 39.1 34 36 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.979 112.1 44.6 -61.8 -54.6 10.5 2.8 41.1 35 37 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.917 115.4 48.3 -55.2 -46.5 10.3 4.9 44.3 36 38 A G H X S+ 0 0 28 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.877 110.0 52.7 -62.8 -37.6 8.5 7.7 42.6 37 39 A Y H X S+ 0 0 59 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.878 110.3 46.8 -65.5 -40.6 6.1 5.3 41.0 38 40 A L H >< S+ 0 0 2 -4,-2.3 3,-0.7 1,-0.2 4,-0.3 0.866 108.0 57.1 -69.1 -36.3 5.2 3.7 44.4 39 41 A Y H 3< S+ 0 0 91 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.779 109.6 45.7 -66.1 -26.5 4.8 7.2 45.9 40 42 A A H 3< S+ 0 0 65 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.549 123.7 31.4 -94.0 -8.4 2.2 8.1 43.3 41 43 A H S XX S+ 0 0 88 -3,-0.7 4,-0.7 -4,-0.6 3,-0.5 -0.011 74.6 114.7-140.6 36.5 0.2 4.8 43.5 42 44 A Q T 34 + 0 0 81 -4,-0.3 -3,-0.1 -3,-0.3 -4,-0.1 0.448 59.3 87.3 -85.6 0.5 0.4 3.6 47.1 43 45 A Q T 34 S+ 0 0 180 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.811 100.8 17.6 -71.0 -33.2 -3.3 4.1 47.6 44 46 A D T <4 S- 0 0 155 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.707 115.6 -78.8-116.5 -20.8 -4.6 0.8 46.3 45 47 A G < - 0 0 22 -4,-0.7 2,-0.4 43,-0.1 44,-0.1 0.297 35.2-146.4 122.1 109.7 -1.8 -1.8 46.3 46 48 A L E -A 88 0A 15 42,-0.7 42,-3.1 -4,-0.1 2,-0.2 -0.844 9.8-155.1-106.8 140.0 1.0 -2.4 43.8 47 49 A T E > -A 87 0A 23 -2,-0.4 4,-1.9 40,-0.2 3,-0.3 -0.666 34.7-106.5-105.3 164.1 2.5 -5.8 43.0 48 50 A Q H > S+ 0 0 48 38,-0.7 4,-2.1 1,-0.2 5,-0.1 0.854 122.9 54.8 -57.0 -34.3 6.0 -6.5 41.7 49 51 A N H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.862 103.0 53.3 -67.4 -40.1 4.3 -7.2 38.3 50 52 A D H > S+ 0 0 64 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.933 111.0 47.7 -61.0 -45.4 2.5 -3.8 38.2 51 53 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.927 109.2 52.3 -61.0 -47.8 5.9 -2.0 38.8 52 54 A A H X>S+ 0 0 10 -4,-2.1 5,-2.1 2,-0.2 4,-1.1 0.879 113.0 47.5 -56.3 -40.4 7.6 -4.1 36.1 53 55 A K H ><5S+ 0 0 163 -4,-2.0 3,-1.4 2,-0.2 -2,-0.2 0.998 114.5 40.8 -64.3 -69.0 4.9 -3.1 33.7 54 56 A A H 3<5S+ 0 0 53 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.818 122.4 45.5 -50.1 -33.5 4.7 0.6 34.3 55 57 A L H 3<5S- 0 0 19 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.656 103.4-136.2 -84.7 -19.2 8.5 0.6 34.5 56 58 A Q T <<5 + 0 0 166 -3,-1.4 2,-0.3 -4,-1.1 -3,-0.2 0.966 60.8 120.0 59.3 56.3 8.9 -1.6 31.3 57 59 A R < - 0 0 119 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.920 67.8 -85.1-141.6 162.8 11.5 -3.9 32.8 58 60 A T > - 0 0 81 -2,-0.3 4,-2.7 1,-0.1 3,-0.5 -0.373 34.3-116.4 -74.0 152.0 11.7 -7.7 33.4 59 61 A G H > S+ 0 0 26 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.940 115.6 48.3 -50.0 -57.2 10.3 -9.3 36.6 60 62 A P H > S+ 0 0 100 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.800 111.7 51.0 -57.1 -30.0 13.7 -10.6 37.8 61 63 A T H > S+ 0 0 73 -3,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.924 114.8 42.7 -71.4 -44.7 15.2 -7.1 37.2 62 64 A V H X S+ 0 0 3 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.896 110.6 57.0 -66.5 -41.4 12.4 -5.5 39.2 63 65 A S H X S+ 0 0 25 -4,-3.5 4,-1.8 -5,-0.3 -1,-0.2 0.929 107.3 47.6 -56.0 -47.4 12.7 -8.3 41.8 64 66 A N H X S+ 0 0 94 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.814 111.1 51.7 -66.0 -30.5 16.4 -7.5 42.4 65 67 A L H X S+ 0 0 18 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.896 108.1 50.2 -73.3 -39.9 15.7 -3.8 42.6 66 68 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.859 108.5 54.5 -66.0 -33.1 12.9 -4.2 45.2 67 69 A R H X S+ 0 0 113 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.921 108.4 47.8 -65.5 -43.6 15.3 -6.3 47.3 68 70 A N H X S+ 0 0 45 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.933 115.1 44.5 -63.1 -47.3 17.9 -3.6 47.3 69 71 A L H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 6,-0.4 0.871 112.3 57.0 -63.4 -34.1 15.3 -1.0 48.3 70 72 A E H ><5S+ 0 0 67 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.886 98.3 55.9 -64.6 -44.3 14.1 -3.6 50.8 71 73 A R H 3<5S+ 0 0 175 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 107.7 50.9 -60.1 -31.5 17.4 -4.0 52.6 72 74 A K T 3<5S- 0 0 75 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.492 113.1-124.4 -82.0 -4.9 17.4 -0.3 53.2 73 75 A K T < 5S+ 0 0 160 -3,-1.7 21,-0.3 -4,-0.2 20,-0.3 0.868 72.3 131.0 62.7 38.7 13.9 -0.6 54.6 74 76 A L S - 0 0 28 -17,-1.6 4,-2.4 -2,-0.3 5,-0.2 -0.372 31.5 -98.4 -86.0 174.5 7.9 3.0 54.5 92 95 A T H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 128.5 47.3 -60.4 -45.1 8.0 6.4 56.3 93 96 A S H > S+ 0 0 56 -20,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.864 109.8 56.0 -64.9 -32.5 11.7 6.9 55.5 94 97 A G H > S+ 0 0 0 -21,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.908 108.1 46.4 -63.8 -42.0 10.8 5.9 51.9 95 98 A I H X S+ 0 0 46 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.916 112.5 50.6 -66.8 -41.3 8.2 8.6 51.7 96 99 A K H X S+ 0 0 134 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.876 109.6 51.0 -64.1 -36.4 10.7 11.1 53.2 97 100 A L H X S+ 0 0 28 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.923 110.0 48.3 -67.8 -43.6 13.3 10.1 50.6 98 101 A V H X S+ 0 0 2 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.851 113.9 48.5 -64.5 -32.3 10.9 10.6 47.7 99 102 A E H X S+ 0 0 87 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.888 108.8 53.9 -74.4 -38.0 10.0 13.9 49.2 100 103 A A H X S+ 0 0 40 -4,-2.4 4,-0.9 1,-0.2 3,-0.5 0.946 115.1 36.9 -62.8 -50.5 13.6 14.9 49.6 101 104 A F H X S+ 0 0 5 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.603 107.1 66.9 -82.2 -6.3 14.7 14.3 46.0 102 105 A T H X S+ 0 0 54 -4,-0.7 4,-1.3 -5,-0.2 -1,-0.2 0.797 100.6 51.6 -77.1 -27.8 11.4 15.6 44.7 103 106 A S H X S+ 0 0 73 -4,-1.1 4,-1.8 -3,-0.5 -2,-0.2 0.834 104.7 56.1 -74.9 -33.3 12.5 18.9 46.0 104 107 A I H X S+ 0 0 33 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.875 105.3 50.9 -66.1 -38.9 15.8 18.6 44.1 105 108 A F H X S+ 0 0 72 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.877 109.0 51.2 -66.7 -36.8 14.1 18.1 40.8 106 109 A D H X S+ 0 0 99 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.891 107.3 55.1 -66.0 -35.9 12.0 21.2 41.4 107 110 A E H X S+ 0 0 121 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.872 105.4 51.7 -63.6 -38.1 15.3 23.0 42.1 108 111 A M H X S+ 0 0 19 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.883 107.6 52.3 -66.1 -39.3 16.6 21.9 38.7 109 112 A E H X S+ 0 0 17 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.909 110.7 48.0 -64.0 -40.0 13.5 23.3 37.0 110 113 A Q H X S+ 0 0 122 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.873 108.5 53.4 -68.6 -37.1 14.0 26.6 38.8 111 114 A T H < S+ 0 0 51 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.916 109.6 49.0 -63.3 -41.8 17.7 26.8 37.9 112 115 A L H >< S+ 0 0 5 -4,-2.0 3,-1.3 1,-0.2 4,-0.2 0.927 112.4 48.4 -62.8 -45.0 16.8 26.3 34.2 113 116 A V H >< S+ 0 0 36 -4,-2.0 3,-2.4 1,-0.3 -2,-0.2 0.919 102.7 60.2 -61.7 -45.2 14.1 29.0 34.4 114 117 A S T 3< S+ 0 0 91 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.426 92.1 73.5 -65.4 5.1 16.5 31.5 36.1 115 118 A Q T < S+ 0 0 62 -3,-1.3 2,-0.3 -5,-0.1 -1,-0.3 0.634 99.0 45.3 -91.2 -18.3 18.6 31.1 32.9 116 119 A L S < S- 0 0 13 -3,-2.4 142,-0.0 -4,-0.2 2,-0.0 -0.861 89.6-106.2-124.3 157.7 16.1 33.1 30.9 117 120 A S > - 0 0 57 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.217 43.2 -98.0 -73.8 172.5 14.3 36.4 31.5 118 121 A E H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.937 126.3 44.1 -58.9 -46.3 10.6 36.4 32.3 119 122 A E H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.900 112.4 51.6 -66.2 -42.0 9.7 37.2 28.7 120 123 A E H > S+ 0 0 65 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.915 109.1 50.9 -62.9 -41.7 12.2 34.6 27.2 121 124 A N H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.944 109.9 50.2 -59.9 -48.3 10.8 31.9 29.5 122 125 A E H X S+ 0 0 116 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.915 114.4 42.7 -56.6 -48.9 7.3 32.6 28.4 123 126 A Q H X S+ 0 0 69 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.923 112.7 53.8 -64.9 -44.4 8.1 32.5 24.7 124 127 A M H X S+ 0 0 4 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.916 109.4 48.1 -56.3 -46.3 10.3 29.4 25.1 125 128 A K H X S+ 0 0 62 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.881 113.2 47.1 -64.3 -39.7 7.5 27.5 26.8 126 129 A A H X S+ 0 0 51 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.947 115.0 45.8 -67.4 -46.3 4.9 28.5 24.1 127 130 A N H X S+ 0 0 12 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.838 110.1 52.8 -65.0 -36.8 7.3 27.6 21.2 128 131 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.869 110.0 51.5 -66.0 -35.1 8.4 24.3 22.8 129 132 A T H X S+ 0 0 69 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.956 107.7 49.3 -66.2 -51.4 4.7 23.5 23.1 130 133 A K H >X S+ 0 0 94 -4,-2.4 4,-2.7 1,-0.2 3,-0.5 0.921 113.7 47.3 -53.9 -46.7 3.9 24.2 19.4 131 134 A M H 3X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.871 108.1 55.6 -63.8 -36.9 6.9 22.1 18.4 132 135 A L H 3< S+ 0 0 14 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.776 111.6 45.0 -67.4 -24.2 5.7 19.3 20.7 133 136 A S H X< S+ 0 0 66 -4,-1.6 3,-1.8 -3,-0.5 -2,-0.2 0.914 102.8 61.6 -82.8 -47.7 2.3 19.4 18.9 134 137 A S H 3< S+ 0 0 38 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.755 108.5 46.6 -49.7 -27.4 3.6 19.5 15.4 135 138 A L T 3< 0 0 18 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.661 360.0 360.0 -88.6 -19.1 5.2 16.1 16.2 136 139 A Q < 0 0 137 -3,-1.8 -3,-0.0 -4,-0.3 0, 0.0 -0.337 360.0 360.0 -90.7 360.0 2.1 14.6 17.7 137 !* 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 0.0 138 4 B T > 0 0 85 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 157.6 7.9 22.4 33.2 139 5 B Y H > + 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.853 360.0 59.0 -71.8 -37.2 11.0 22.2 31.0 140 6 B S H > S+ 0 0 56 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.947 109.9 42.0 -57.3 -51.1 11.7 18.6 32.2 141 7 B Y H >> S+ 0 0 108 2,-0.2 4,-2.8 1,-0.2 3,-0.7 0.970 116.1 48.2 -60.0 -57.0 8.4 17.3 31.0 142 8 B L H 3X S+ 0 0 15 -4,-1.9 4,-2.6 1,-0.3 5,-0.2 0.910 111.7 49.0 -51.6 -50.9 8.5 19.2 27.7 143 9 B F H 3X S+ 0 0 1 -4,-2.9 4,-1.1 1,-0.2 -1,-0.3 0.746 113.9 46.6 -65.1 -24.1 12.1 18.2 26.8 144 10 B R H < S+ 0 0 27 -4,-2.5 3,-2.1 -5,-0.2 4,-0.4 0.934 110.9 55.2 -67.4 -44.7 9.6 8.5 8.3 158 24 B L H ><>S+ 0 0 17 -4,-2.4 3,-1.6 1,-0.3 5,-1.2 0.872 103.1 56.4 -55.3 -38.1 11.9 5.5 8.2 159 25 B E G ><5S+ 0 0 94 -4,-2.4 3,-0.8 1,-0.3 -1,-0.3 0.630 91.4 72.4 -70.5 -10.9 8.9 3.3 7.8 160 26 B Q G < 5S+ 0 0 133 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.683 98.1 47.6 -75.3 -15.9 8.0 5.3 4.7 161 27 B F G < 5S- 0 0 71 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.356 124.6-110.3 -98.7 0.7 10.9 3.6 3.0 162 28 B D T < 5S+ 0 0 97 -3,-0.8 2,-0.4 1,-0.3 -3,-0.2 0.903 76.8 133.8 68.7 43.5 9.5 0.3 4.4 163 29 B I < - 0 0 1 -5,-1.2 -1,-0.3 -8,-0.2 -2,-0.2 -0.989 46.8-144.9-129.9 131.4 12.4 -0.0 6.8 164 30 B T > - 0 0 47 -2,-0.4 4,-2.4 -3,-0.1 5,-0.1 -0.372 32.1-106.3 -84.1 169.8 12.4 -0.9 10.4 165 31 B N H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.939 122.1 46.8 -61.1 -49.5 14.8 0.6 13.0 166 32 B E H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 113.2 49.1 -61.2 -41.6 16.7 -2.7 13.3 167 33 B Q H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 109.3 53.7 -65.3 -38.1 16.8 -3.0 9.5 168 34 B G H X S+ 0 0 11 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.901 108.8 48.0 -62.1 -41.9 18.0 0.6 9.3 169 35 B H H X S+ 0 0 105 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.868 110.0 52.5 -67.7 -37.1 20.9 -0.1 11.7 170 36 B T H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.970 111.9 44.6 -63.1 -52.4 21.9 -3.2 9.8 171 37 B L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.947 115.8 48.3 -55.8 -49.7 22.1 -1.3 6.5 172 38 B G H X S+ 0 0 31 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.863 109.7 51.9 -59.8 -38.5 23.9 1.6 8.2 173 39 B Y H X S+ 0 0 49 -4,-2.7 4,-1.6 1,-0.2 3,-0.3 0.956 112.5 45.5 -63.2 -48.0 26.4 -0.8 9.9 174 40 B L H < S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.886 107.6 58.9 -60.4 -41.8 27.1 -2.4 6.5 175 41 B Y H < S+ 0 0 99 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.866 115.0 34.9 -55.9 -40.7 27.4 1.0 4.8 176 42 B A H < S+ 0 0 55 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.653 124.6 40.7 -91.7 -16.6 30.2 2.1 7.2 177 43 B H S < S+ 0 0 80 -4,-1.6 3,-0.3 -5,-0.2 4,-0.3 -0.081 79.2 103.0-124.8 37.1 32.0 -1.3 7.6 178 44 B Q > + 0 0 53 -3,-0.3 3,-1.7 -4,-0.3 -1,-0.1 0.869 52.2 92.1 -83.3 -39.3 32.0 -2.9 4.2 179 45 B Q T 3 S+ 0 0 136 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.606 98.1 28.8 -29.2 -35.1 35.6 -2.3 3.2 180 46 B D T 3 S- 0 0 146 -3,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.615 115.0 -92.7-111.4 -13.2 36.8 -5.6 4.5 181 47 B G < - 0 0 16 -3,-1.7 2,-0.4 -4,-0.3 39,-0.1 0.440 34.9-141.7 103.2 115.6 34.0 -8.1 4.3 182 48 B L B -C 219 0B 16 37,-0.7 37,-3.4 -4,-0.1 2,-0.2 -0.883 6.7-156.9-115.5 143.7 31.4 -9.0 7.0 183 49 B T > - 0 0 45 -2,-0.4 4,-2.1 35,-0.2 5,-0.2 -0.640 39.7-100.8-107.3 168.3 29.9 -12.3 8.0 184 50 B Q H > S+ 0 0 58 33,-0.4 4,-2.5 1,-0.2 5,-0.1 0.870 126.0 55.5 -56.0 -37.9 26.6 -12.8 9.8 185 51 B N H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.933 104.2 51.1 -60.8 -48.5 28.7 -13.3 12.9 186 52 B D H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.929 113.0 46.7 -54.1 -47.9 30.5 -9.9 12.5 187 53 B I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.892 110.4 52.6 -62.0 -43.6 27.1 -8.2 12.1 188 54 B A H X>S+ 0 0 11 -4,-2.5 5,-2.0 2,-0.2 4,-1.2 0.918 111.8 44.6 -61.5 -46.9 25.5 -10.0 15.1 189 55 B K H <5S+ 0 0 165 -4,-2.4 3,-0.3 2,-0.2 -2,-0.2 0.921 114.4 47.8 -65.9 -44.4 28.4 -9.1 17.5 190 56 B A H <5S+ 0 0 45 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.852 119.3 41.3 -64.8 -32.4 28.5 -5.4 16.4 191 57 B L H <5S- 0 0 31 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.586 104.1-130.4 -91.3 -10.2 24.8 -5.2 16.7 192 58 B Q T <5 + 0 0 172 -4,-1.2 2,-0.3 -3,-0.3 -3,-0.2 0.959 64.9 125.8 58.7 51.1 24.5 -7.2 20.0 193 59 B R < - 0 0 117 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.886 62.3 -96.8-133.7 163.5 21.8 -9.4 18.5 194 60 B T > - 0 0 77 -2,-0.3 4,-1.9 -3,-0.1 5,-0.2 -0.267 34.7-106.5 -78.8 167.9 21.4 -13.2 18.2 195 61 B G H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 117.6 49.5 -62.0 -44.8 22.2 -15.3 15.1 196 62 B P H > S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.898 108.2 53.4 -64.6 -38.5 18.5 -15.9 14.2 197 63 B T H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.956 114.2 41.2 -59.3 -50.5 17.6 -12.2 14.4 198 64 B V H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.925 112.0 55.8 -63.1 -44.5 20.4 -11.1 12.1 199 65 B S H X S+ 0 0 40 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.912 110.7 45.7 -54.0 -43.9 19.7 -14.1 9.8 200 66 B N H X S+ 0 0 87 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.904 112.0 50.8 -66.7 -43.0 16.1 -12.9 9.5 201 67 B L H X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.943 111.1 47.6 -59.8 -50.0 17.0 -9.3 8.9 202 68 B L H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 -1,-0.2 0.867 109.7 53.3 -60.4 -39.3 19.5 -10.1 6.2 203 69 B R H X S+ 0 0 110 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.903 109.8 47.6 -63.1 -43.0 17.0 -12.4 4.5 204 70 B N H < S+ 0 0 59 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.938 115.8 45.7 -62.9 -47.0 14.3 -9.6 4.4 205 71 B L H ><>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-1.0 0.884 111.0 51.6 -63.6 -43.2 16.9 -7.2 3.0 206 72 B E H ><5S+ 0 0 61 -4,-3.2 3,-1.9 1,-0.3 -1,-0.2 0.873 100.7 61.0 -65.9 -36.9 18.3 -9.6 0.4 207 73 B R T 3<5S+ 0 0 173 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.706 106.6 48.4 -63.7 -16.1 14.9 -10.4 -1.0 208 74 B K T < 5S- 0 0 72 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.444 114.8-122.1 -98.6 -2.8 14.7 -6.6 -1.8 209 75 B K T < 5S+ 0 0 142 -3,-1.9 16,-0.3 -4,-0.2 15,-0.3 0.795 76.8 127.9 66.4 29.0 18.2 -6.8 -3.3 210 76 B L S - 0 0 30 -12,-1.8 4,-2.3 -2,-0.4 5,-0.2 -0.187 29.5 -98.8 -77.8 179.0 24.2 -3.2 -3.3 223 95 B T H > S+ 0 0 98 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.930 127.3 48.5 -66.9 -44.4 24.1 0.1 -5.1 224 96 B S H > S+ 0 0 58 -15,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.852 110.6 54.4 -63.6 -30.3 20.4 0.5 -4.4 225 97 B G H > S+ 0 0 0 -16,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.926 109.7 45.0 -67.6 -44.6 21.3 -0.3 -0.8 226 98 B I H X S+ 0 0 52 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.912 113.5 50.5 -64.7 -43.1 23.9 2.4 -0.7 227 99 B K H X S+ 0 0 138 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.883 110.8 49.8 -62.6 -37.4 21.5 4.8 -2.3 228 100 B L H X S+ 0 0 31 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.912 110.0 49.5 -67.0 -46.2 18.8 3.9 0.2 229 101 B V H >< S+ 0 0 16 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.910 111.4 49.2 -61.1 -41.7 21.1 4.5 3.2 230 102 B E H >< S+ 0 0 100 -4,-2.3 3,-1.6 1,-0.2 4,-0.3 0.918 105.4 59.0 -64.0 -39.7 22.1 7.8 1.8 231 103 B A H >< S+ 0 0 37 -4,-2.1 3,-1.7 1,-0.3 4,-0.4 0.761 87.3 75.9 -59.2 -27.4 18.5 8.7 1.4 232 104 B F T XX S+ 0 0 26 -4,-1.1 3,-1.8 -3,-0.6 4,-0.6 0.791 80.7 71.9 -55.5 -29.3 17.9 8.2 5.1 233 105 B T H X> S+ 0 0 78 -3,-1.6 4,-1.9 -4,-0.4 3,-0.6 0.814 83.1 68.0 -56.5 -33.7 19.6 11.6 5.7 234 106 B S H <> S+ 0 0 40 -3,-1.7 4,-3.1 -4,-0.3 -1,-0.3 0.756 89.9 65.9 -60.0 -24.4 16.5 13.3 4.2 235 107 B I H <> S+ 0 0 9 -3,-1.8 4,-1.8 -4,-0.4 -1,-0.2 0.939 104.4 41.6 -63.6 -47.3 14.7 12.2 7.3 236 108 B F H X S+ 0 0 3 -4,-1.6 3,-2.4 2,-0.2 4,-0.5 0.949 112.9 52.1 -72.2 -51.2 10.1 22.4 13.0 244 116 B V H >< S+ 0 0 34 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.912 103.6 58.3 -49.9 -47.7 11.9 25.5 11.7 245 117 B S T 3< S+ 0 0 89 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.483 91.5 73.5 -64.8 -1.8 8.9 26.3 9.6 246 118 B Q T <4 S+ 0 0 75 -3,-2.4 -1,-0.3 -5,-0.2 2,-0.3 0.782 101.3 40.7 -81.1 -29.0 6.8 26.4 12.8 247 119 B L S << S- 0 0 14 -3,-1.9 5,-0.0 -4,-0.5 -120,-0.0 -0.764 92.0 -97.4-119.0 163.4 8.3 29.7 13.9 248 120 B S > - 0 0 52 -2,-0.3 4,-1.7 1,-0.1 -1,-0.1 -0.173 47.1 -99.4 -68.1 171.6 9.3 33.0 12.2 249 121 B E H > S+ 0 0 158 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.925 124.9 43.1 -61.6 -45.0 13.0 33.4 11.3 250 122 B E H > S+ 0 0 120 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.908 108.6 57.0 -67.6 -43.4 13.7 35.5 14.4 251 123 B E H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.869 107.7 51.6 -55.8 -34.3 11.7 33.2 16.7 252 124 B N H X S+ 0 0 13 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.895 109.3 46.9 -68.7 -43.3 14.0 30.4 15.5 253 125 B E H X S+ 0 0 125 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.928 116.9 44.8 -64.7 -44.0 17.2 32.3 16.2 254 126 B Q H X S+ 0 0 70 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.952 113.8 49.9 -62.7 -51.6 15.9 33.2 19.7 255 127 B M H X S+ 0 0 3 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.887 114.0 44.9 -54.9 -44.8 14.7 29.7 20.3 256 128 B K H X S+ 0 0 51 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.817 112.6 50.3 -73.3 -30.6 18.0 28.2 19.2 257 129 B A H X S+ 0 0 59 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.903 111.5 48.4 -73.3 -39.6 20.1 30.7 21.2 258 130 B N H X S+ 0 0 16 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.886 109.8 51.7 -66.8 -39.7 18.1 30.1 24.4 259 131 B L H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.867 108.7 51.8 -63.9 -37.0 18.3 26.3 24.1 260 132 B T H X S+ 0 0 68 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.875 110.6 48.6 -66.4 -38.4 22.1 26.6 23.7 261 133 B K H X S+ 0 0 89 -4,-1.7 4,-2.5 2,-0.2 3,-0.3 0.960 112.3 47.0 -65.9 -51.5 22.2 28.7 26.9 262 134 B M H X S+ 0 0 1 -4,-2.8 4,-1.0 1,-0.3 -2,-0.2 0.904 110.9 53.1 -56.8 -42.4 20.1 26.2 28.8 263 135 B L H < S+ 0 0 27 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.846 109.5 49.5 -61.1 -35.6 22.3 23.4 27.4 264 136 B S H >< S+ 0 0 74 -4,-1.6 3,-2.2 -3,-0.3 -2,-0.2 0.919 104.1 55.9 -70.4 -44.9 25.3 25.2 28.7 265 137 B S H 3< S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.768 109.1 50.5 -58.1 -23.4 23.9 25.8 32.2 266 138 B L T 3< 0 0 12 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.540 360.0 360.0 -88.7 -11.5 23.5 22.0 32.2 267 139 B Q < 0 0 186 -3,-2.2 -1,-0.2 -4,-0.1 -2,-0.1 -0.385 360.0 360.0 65.2 360.0 27.2 21.7 31.1