==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-AUG-11 3TFV . COMPND 2 MOLECULE: DEHYDROSQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR F.-Y.LIN,Y.ZHANG,Y.-L.LIU,E.OLDFIELD . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 77.5 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 4 0 0 0 1 0 3 1 0 1 0 0 1 0 2 0 1 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 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 1 A M 0 0 159 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.6 -32.6 17.4 34.9 2 2 A T > - 0 0 91 3,-0.1 4,-0.6 1,-0.0 0, 0.0 0.517 360.0 -90.2 -65.8-154.3 -35.9 18.6 33.5 3 3 A M H > S+ 0 0 143 2,-0.2 4,-1.1 3,-0.1 3,-0.2 0.916 121.9 44.5 -99.5 -48.4 -38.2 17.0 30.9 4 4 A M H >> S+ 0 0 41 2,-0.2 4,-1.8 1,-0.2 3,-1.7 0.967 108.3 63.2 -44.4 -55.9 -37.1 18.3 27.6 5 5 A D H 3> S+ 0 0 63 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.832 100.0 53.2 -43.5 -40.1 -33.6 17.6 28.9 6 6 A M H 3X S+ 0 0 103 -4,-0.6 4,-1.0 -3,-0.2 -1,-0.3 0.833 109.3 48.6 -66.7 -37.0 -34.6 13.9 29.0 7 7 A N H XX S+ 0 0 21 -3,-1.7 4,-2.2 -4,-1.1 3,-1.6 0.981 107.9 52.1 -62.1 -60.2 -35.7 14.0 25.3 8 8 A F H 3X S+ 0 0 4 -4,-1.8 4,-2.8 1,-0.3 -2,-0.2 0.748 105.9 58.1 -52.3 -27.0 -32.6 15.7 24.0 9 9 A K H 3X S+ 0 0 133 -4,-1.2 4,-2.7 -5,-0.4 -1,-0.3 0.809 104.6 47.5 -78.0 -31.9 -30.6 13.0 25.8 10 10 A Y H S+ 0 0 121 -2,-0.6 4,-1.8 -3,-0.2 -1,-0.1 0.686 86.8 54.8 -72.1 -21.4 -19.0 8.9 16.4 21 21 A S H > S+ 0 0 16 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.954 106.3 46.9 -77.3 -52.8 -17.4 11.7 14.3 22 22 A F H > S+ 0 0 30 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.928 116.4 45.9 -56.4 -49.2 -20.4 14.0 14.1 23 23 A S H X S+ 0 0 4 -4,-1.6 4,-2.4 -8,-0.3 5,-0.2 0.946 106.8 57.2 -56.1 -53.5 -20.9 13.6 17.8 24 24 A Y H < S+ 0 0 54 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.892 119.9 33.3 -43.7 -46.9 -17.2 14.1 18.7 25 25 A A H >< S+ 0 0 0 -4,-2.3 3,-2.6 1,-0.2 -2,-0.2 0.981 118.0 45.2 -76.7 -64.7 -17.4 17.4 16.9 26 26 A F H >< S+ 0 0 9 -4,-3.3 3,-1.5 1,-0.3 -3,-0.2 0.678 99.7 71.6 -67.1 -16.8 -20.9 18.9 17.4 27 27 A D T 3< S+ 0 0 36 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.689 87.5 66.5 -64.0 -18.4 -20.8 18.1 21.1 28 28 A L T < S+ 0 0 84 -3,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.337 82.8 102.8 -90.4 10.2 -18.2 20.9 21.4 29 29 A L S < S- 0 0 6 -3,-1.5 2,-0.1 1,-0.1 208,-0.0 -0.392 87.0 -83.7 -79.3 163.5 -20.9 23.4 20.4 30 30 A P > - 0 0 52 0, 0.0 4,-2.6 0, 0.0 5,-0.3 -0.406 47.2-102.1 -60.1 147.3 -22.6 25.7 23.0 31 31 A E H > S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.828 117.8 50.1 -34.1 -57.7 -25.6 24.2 24.9 32 32 A D H > S+ 0 0 134 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.959 116.7 39.6 -54.7 -56.7 -28.3 25.9 22.8 33 33 A Q H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 3,-0.2 0.861 111.3 52.6 -67.3 -42.9 -27.0 24.9 19.5 34 34 A R H X S+ 0 0 60 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.859 107.1 54.3 -68.8 -30.7 -25.8 21.3 20.1 35 35 A K H X S+ 0 0 40 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.845 109.4 47.5 -68.1 -36.0 -29.2 20.4 21.5 36 36 A A H X S+ 0 0 10 -4,-1.2 4,-2.2 -3,-0.2 -2,-0.2 0.965 111.6 50.5 -69.0 -49.6 -30.9 21.6 18.4 37 37 A V H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.936 108.7 53.1 -46.8 -49.4 -28.4 19.8 16.3 38 38 A W H X S+ 0 0 18 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.925 107.4 51.3 -56.2 -50.0 -29.1 16.6 18.4 39 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.926 112.5 45.3 -46.3 -56.4 -32.9 16.9 17.7 40 40 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.935 111.6 50.0 -59.3 -54.7 -32.4 17.2 14.0 41 41 A Y H X S+ 0 0 32 -4,-2.5 4,-3.3 -5,-0.2 -1,-0.2 0.936 111.4 49.8 -50.0 -51.4 -29.9 14.4 13.6 42 42 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.970 108.5 51.9 -58.5 -55.8 -32.2 12.0 15.6 43 43 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.905 114.9 43.9 -39.9 -50.5 -35.3 12.9 13.5 44 44 A C H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.907 108.6 56.4 -67.0 -41.0 -33.2 12.1 10.4 45 45 A R H X S+ 0 0 40 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.888 109.1 48.4 -56.0 -41.4 -31.7 9.0 11.9 46 46 A K H X S+ 0 0 46 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.953 105.4 57.9 -62.8 -52.3 -35.2 7.7 12.5 47 47 A I H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.869 109.5 44.6 -49.3 -42.7 -36.2 8.6 9.0 48 48 A D H >< S+ 0 0 74 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.921 117.9 43.3 -68.0 -40.0 -33.5 6.3 7.6 49 49 A D H 3< S+ 0 0 83 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.647 85.7 93.1 -83.5 -15.3 -34.2 3.5 10.0 50 50 A S T 3< S+ 0 0 0 -4,-2.2 10,-0.4 1,-0.2 4,-0.3 0.616 81.2 60.8 -53.1 -17.0 -38.0 3.6 9.7 51 51 A I S <> S+ 0 0 37 -3,-0.7 2,-2.5 1,-0.2 4,-0.9 0.968 92.8 59.4 -78.5 -57.3 -37.8 1.0 6.9 52 52 A D T 4 S+ 0 0 142 -3,-0.3 -1,-0.2 -4,-0.3 5,-0.0 -0.514 87.8 87.1 -70.9 73.8 -36.2 -1.9 8.9 53 53 A V T 4 S- 0 0 75 -2,-2.5 -1,-0.2 -3,-0.2 -2,-0.1 0.393 112.7 -13.3-131.1 -74.0 -39.2 -2.0 11.4 54 54 A Y T 4 S- 0 0 175 2,-0.5 -2,-0.1 -3,-0.4 3,-0.1 0.654 99.6-100.0 -97.3 -26.3 -42.1 -4.2 10.1 55 55 A G S < S+ 0 0 66 -4,-0.9 2,-0.3 1,-0.5 -3,-0.1 0.530 98.9 76.2 106.4 22.3 -40.6 -4.5 6.6 56 56 A D S S- 0 0 67 -5,-0.5 -1,-0.5 -6,-0.2 -2,-0.5 -0.925 90.2 -97.4-155.3 166.8 -43.1 -1.8 5.3 57 57 A I S > S+ 0 0 60 -2,-0.3 3,-0.9 2,-0.1 -1,-0.2 0.981 71.7 117.1 -61.8 -83.8 -43.5 1.9 5.4 58 58 A Q T > S+ 0 0 86 1,-0.3 3,-1.6 2,-0.1 5,-0.1 -0.196 79.1 42.9 42.4-151.4 -46.0 2.7 8.2 59 59 A F T >> S+ 0 0 35 1,-0.3 3,-2.1 2,-0.2 4,-1.5 0.194 101.2 69.4 23.9 -82.5 -43.9 4.7 10.5 60 60 A L H <> S+ 0 0 0 -3,-0.9 4,-2.0 -10,-0.4 -1,-0.3 0.727 104.6 43.8 -28.3 -36.6 -42.3 6.7 7.8 61 61 A N H <> S+ 0 0 38 -3,-1.6 4,-3.7 2,-0.2 -1,-0.3 0.867 110.9 53.3 -83.1 -35.9 -45.7 8.3 7.3 62 62 A Q H <> S+ 0 0 58 -3,-2.1 4,-3.1 2,-0.2 5,-0.4 0.998 110.7 46.7 -56.0 -61.1 -46.2 8.7 10.9 63 63 A I H X S+ 0 0 2 -4,-1.5 4,-2.2 1,-0.3 -2,-0.2 0.891 114.5 47.8 -46.0 -47.7 -42.8 10.5 11.1 64 64 A K H X S+ 0 0 57 -4,-2.0 4,-3.0 -5,-0.4 -1,-0.3 0.914 114.2 48.9 -55.5 -43.1 -43.9 12.5 8.1 65 65 A E H X S+ 0 0 92 -4,-3.7 4,-2.9 -3,-0.3 -2,-0.2 0.949 110.0 48.0 -65.3 -52.5 -47.2 13.1 9.9 66 66 A D H X S+ 0 0 2 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.831 116.4 46.5 -55.4 -35.7 -45.7 14.2 13.3 67 67 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.4 -2,-0.2 0.940 110.3 49.8 -72.2 -48.7 -43.4 16.5 11.3 68 68 A Q H X S+ 0 0 71 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.881 110.1 55.2 -57.5 -39.2 -46.2 17.9 9.2 69 69 A S H X S+ 0 0 42 -4,-2.9 4,-2.1 2,-0.2 3,-0.4 0.964 109.5 43.6 -51.4 -61.0 -48.1 18.4 12.5 70 70 A I H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.804 109.5 59.2 -58.7 -32.4 -45.2 20.5 14.0 71 71 A E H < S+ 0 0 71 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.935 115.2 34.1 -64.7 -41.7 -44.9 22.3 10.8 72 72 A K H < S+ 0 0 121 -4,-1.8 -2,-0.2 -3,-0.4 -3,-0.1 0.992 132.4 18.8 -76.8 -70.4 -48.5 23.5 11.1 73 73 A Y >< + 0 0 153 -4,-2.1 3,-0.6 1,-0.1 -1,-0.2 -0.766 63.8 166.4-108.6 87.2 -49.3 24.0 14.7 74 74 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.617 75.7 49.5 -74.2 -12.8 -46.0 24.3 16.6 75 75 A Y T 3 S+ 0 0 161 2,-0.1 2,-0.3 20,-0.0 -5,-0.1 0.407 93.7 83.3-114.9 -2.1 -47.5 25.7 19.8 76 76 A E S < S- 0 0 121 -3,-0.6 2,-0.2 -6,-0.1 -3,-0.0 -0.719 86.0-106.6 -92.2 151.9 -50.3 23.1 20.3 77 77 A Y - 0 0 130 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.517 36.1-162.2 -71.8 143.4 -49.6 19.7 22.0 78 78 A H - 0 0 25 -2,-0.2 2,-1.1 2,-0.0 -12,-0.0 -0.994 22.9-136.5-126.8 144.5 -49.6 16.7 19.7 79 79 A H - 0 0 158 -2,-0.4 2,-0.1 2,-0.0 -2,-0.0 -0.799 37.2-141.9 -88.9 93.3 -49.9 13.0 20.5 80 80 A F - 0 0 19 -2,-1.1 4,-0.1 1,-0.1 -17,-0.1 -0.372 11.7-153.3 -65.2 130.7 -47.1 11.8 18.2 81 81 A Q S S+ 0 0 94 -19,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.810 83.9 31.6 -68.5 -31.7 -47.7 8.5 16.3 82 82 A S S S- 0 0 27 1,-0.3 2,-0.5 -20,-0.2 -23,-0.0 0.808 124.4 -12.5 -96.1-102.0 -44.0 7.7 16.0 83 83 A D > - 0 0 21 1,-0.1 4,-1.5 2,-0.0 -1,-0.3 -0.948 51.7-174.3-111.2 131.2 -41.3 8.6 18.4 84 84 A R H > S+ 0 0 96 -2,-0.5 4,-1.4 2,-0.2 5,-0.2 0.773 79.3 62.6-100.4 -32.5 -42.3 11.1 21.0 85 85 A R H > S+ 0 0 120 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.951 115.2 35.6 -59.0 -47.2 -39.0 11.7 22.7 86 86 A I H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.958 111.5 55.5 -70.2 -53.2 -37.7 13.0 19.4 87 87 A M H X S+ 0 0 4 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.755 108.2 54.6 -58.6 -22.5 -40.7 14.8 17.9 88 88 A M H X S+ 0 0 31 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.962 105.9 48.2 -71.1 -56.7 -40.8 16.8 21.2 89 89 A A H X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.900 113.3 50.0 -50.0 -47.3 -37.2 18.0 21.0 90 90 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.946 107.8 51.9 -60.6 -49.7 -37.8 19.0 17.4 91 91 A Q H X S+ 0 0 15 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.917 109.2 51.6 -51.5 -46.0 -41.0 20.9 18.3 92 92 A H H X S+ 0 0 52 -4,-2.7 4,-1.5 2,-0.2 3,-0.2 0.935 112.4 45.4 -54.4 -51.9 -38.9 22.7 21.0 93 93 A V H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.973 107.2 58.8 -50.8 -56.7 -36.3 23.6 18.4 94 94 A A H < S+ 0 0 18 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.769 101.9 56.3 -54.3 -32.7 -39.0 24.7 15.9 95 95 A Q H < S+ 0 0 54 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.999 117.8 30.0 -57.2 -67.1 -40.2 27.2 18.4 96 96 A H H < S+ 0 0 132 -4,-1.5 2,-0.3 2,-0.0 -2,-0.2 0.665 123.7 44.6 -69.7 -17.7 -36.9 29.0 18.8 97 97 A K S < S- 0 0 76 -4,-2.5 2,-0.2 -5,-0.2 47,-0.1 -0.900 80.3-106.0-133.5 153.3 -35.5 28.4 15.3 98 98 A N - 0 0 98 -2,-0.3 2,-0.4 45,-0.1 -3,-0.1 -0.519 35.3-158.6 -68.5 146.0 -36.4 28.4 11.6 99 99 A I - 0 0 19 -2,-0.2 2,-2.9 -5,-0.1 3,-0.2 -0.970 20.9-139.9-135.7 119.3 -36.7 24.9 10.1 100 100 A A >> + 0 0 24 -2,-0.4 3,-1.5 40,-0.2 4,-0.9 -0.305 31.8 173.3 -70.7 60.5 -36.4 24.0 6.4 101 101 A F H 3> S+ 0 0 31 -2,-2.9 4,-1.8 1,-0.3 3,-0.4 0.787 71.5 63.6 -37.7 -43.6 -39.4 21.5 6.7 102 102 A Q H 3> S+ 0 0 107 1,-0.2 4,-3.3 2,-0.2 3,-0.3 0.941 96.7 56.3 -48.6 -53.1 -39.3 21.0 3.0 103 103 A S H <> S+ 0 0 8 -3,-1.5 4,-2.7 1,-0.3 -1,-0.2 0.854 102.6 55.6 -52.5 -38.7 -35.9 19.5 3.2 104 104 A F H X S+ 0 0 1 -4,-0.9 4,-2.7 -3,-0.4 -1,-0.3 0.946 110.3 46.0 -58.4 -44.8 -37.2 16.9 5.7 105 105 A Y H X S+ 0 0 26 -4,-1.8 4,-3.3 -3,-0.3 5,-0.4 0.973 107.7 55.8 -64.0 -50.2 -39.7 15.9 3.1 106 106 A N H X S+ 0 0 44 -4,-3.3 4,-2.0 1,-0.3 -1,-0.2 0.924 111.4 45.7 -42.5 -47.8 -37.1 15.9 0.5 107 107 A L H X S+ 0 0 13 -4,-2.7 4,-1.7 2,-0.2 -1,-0.3 0.894 112.8 48.9 -66.7 -39.6 -35.2 13.4 2.7 108 108 A I H >X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 3,-0.5 0.971 110.4 51.0 -66.0 -51.3 -38.4 11.4 3.4 109 109 A D H 3X S+ 0 0 68 -4,-3.3 4,-2.3 1,-0.3 -1,-0.2 0.841 107.6 54.7 -44.0 -42.5 -39.2 11.3 -0.3 110 110 A T H 3X S+ 0 0 26 -4,-2.0 4,-0.9 -5,-0.4 -1,-0.3 0.877 110.7 45.1 -64.7 -37.8 -35.6 10.1 -0.9 111 111 A V H XX S+ 0 0 20 -4,-1.7 4,-0.9 -3,-0.5 3,-0.9 0.951 110.8 50.3 -75.9 -49.7 -36.2 7.2 1.5 112 112 A Y H >< S+ 0 0 50 -4,-2.8 3,-1.4 1,-0.2 4,-0.3 0.958 113.9 51.4 -37.2 -56.7 -39.6 6.2 0.2 113 113 A K H >< S+ 0 0 118 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.709 97.0 65.3 -62.0 -25.9 -37.8 6.2 -3.2 114 114 A D H X< S+ 0 0 40 -3,-0.9 3,-1.7 -4,-0.9 -1,-0.3 0.732 80.0 79.5 -81.1 -18.4 -35.0 4.1 -2.1 115 115 A Q T << S+ 0 0 81 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.846 98.9 43.4 -49.0 -40.2 -37.2 1.0 -1.6 116 116 A H T < S+ 0 0 148 -3,-0.9 2,-0.3 -4,-0.3 -1,-0.3 -0.230 88.2 174.6-100.0 42.2 -37.1 0.5 -5.4 117 117 A F < + 0 0 35 -3,-1.7 2,-0.4 3,-0.0 -3,-0.1 -0.304 7.1 175.2 -55.5 110.7 -33.4 1.2 -5.6 118 118 A T - 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0 0 30 -2,-0.4 -62,-0.4 -3,-0.1 -9,-0.0 -0.963 6.3-173.3-134.8 129.3 -23.8 -0.2 -5.4 183 183 A Y + 0 0 22 -2,-0.4 -63,-0.1 -14,-0.1 -1,-0.1 0.723 53.3 100.2 -97.2 -23.0 -23.6 3.5 -5.5 184 184 A F S S- 0 0 5 1,-0.1 -64,-0.4 -15,-0.1 2,-0.1 -0.304 84.5-100.1 -55.6 145.3 -21.1 4.1 -8.3 185 185 A S > - 0 0 0 1,-0.1 4,-2.6 -66,-0.1 -64,-0.2 -0.440 13.9-128.5 -74.8 145.5 -22.8 5.0 -11.5 186 186 A K H > S+ 0 0 99 -66,-4.0 4,-2.5 1,-0.2 5,-0.2 0.927 113.5 53.4 -48.8 -46.8 -23.4 2.4 -14.3 187 187 A Q H > S+ 0 0 71 -66,-2.9 4,-2.3 -67,-0.3 5,-0.2 0.964 109.7 43.7 -53.5 -58.8 -21.8 5.0 -16.6 188 188 A R H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.836 112.9 54.3 -63.2 -32.1 -18.7 5.5 -14.5 189 189 A L H X>S+ 0 0 17 -4,-2.6 5,-1.4 2,-0.2 4,-1.2 0.931 108.6 45.7 -66.5 -51.4 -18.3 1.8 -14.0 190 190 A K H ><5S+ 0 0 180 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.965 112.0 53.0 -55.9 -54.1 -18.4 0.9 -17.7 191 191 A Q H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.856 116.8 38.7 -48.7 -40.0 -16.0 3.7 -18.5 192 192 A Y H 3<5S- 0 0 48 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.548 107.0-125.6 -95.6 -5.4 -13.6 2.3 -15.9 193 193 A E T <<5 + 0 0 142 -3,-1.2 2,-0.4 -4,-1.2 -3,-0.2 0.985 57.0 147.0 58.9 60.6 -14.2 -1.4 -16.6 194 194 A V < - 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0 0 52 55,-0.3 2,-0.2 -4,-0.1 57,-0.0 -0.136 54.6-176.6 -63.6 153.1 -8.7 -4.7 -5.6 205 205 A N > - 0 0 58 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 -0.675 45.0 -83.4-126.3-166.4 -7.0 -4.0 -9.0 206 206 A N H > S+ 0 0 120 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.845 121.9 55.9 -72.4 -36.2 -5.9 -0.8 -10.8 207 207 A H H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.899 107.8 48.3 -61.8 -41.9 -9.3 0.0 -12.3 208 208 A Y H >> S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 3,-0.6 0.990 108.8 53.3 -63.7 -57.3 -11.0 0.1 -9.0 209 209 A I H 3X S+ 0 0 38 -4,-1.7 4,-2.8 1,-0.3 -1,-0.2 0.870 111.9 47.6 -37.3 -50.2 -8.3 2.3 -7.5 210 210 A D H 3X S+ 0 0 84 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.822 111.9 46.1 -70.5 -38.0 -8.9 4.7 -10.3 211 211 A L H < S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 4,-0.4 0.918 107.1 56.8 -58.8 -46.4 -16.4 24.6 1.6 227 227 A M H >< S+ 0 0 33 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.866 103.5 55.8 -52.4 -39.1 -13.3 25.3 3.8 228 228 A D H 3< S+ 0 0 127 -4,-1.8 3,-0.3 -3,-0.4 -1,-0.3 0.814 113.9 38.7 -64.9 -31.7 -12.9 28.6 1.8 229 229 A Q T X< S+ 0 0 59 -3,-1.1 3,-2.1 -4,-1.0 -1,-0.3 0.225 75.7 119.3-107.0 18.4 -16.3 29.7 2.7 230 230 A I G X + 0 0 13 -3,-1.1 3,-2.0 -4,-0.4 -1,-0.2 0.762 60.7 79.2 -49.7 -28.1 -16.4 28.5 6.2 231 231 A K G 3 S+ 0 0 176 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.479 72.0 76.6 -64.6 -4.9 -16.9 32.1 7.3 232 232 A V G < S+ 0 0 32 -3,-2.1 2,-0.3 -80,-0.1 -84,-0.3 0.652 85.4 80.1 -79.3 -16.8 -20.6 32.0 6.4 233 233 A F S < S- 0 0 5 -3,-2.0 -87,-0.3 -4,-0.2 5,-0.1 -0.699 98.8 -90.8 -94.0 145.0 -21.1 30.1 9.6 234 234 A S > - 0 0 5 -89,-1.3 4,-1.5 -2,-0.3 3,-0.2 -0.003 42.9-105.1 -48.2 156.1 -21.3 31.7 13.0 235 235 A I T 4 S+ 0 0 104 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.829 118.5 49.1 -61.1 -36.6 -18.0 32.1 14.8 236 236 A E T > S+ 0 0 76 1,-0.2 4,-0.7 2,-0.1 -1,-0.2 0.889 111.6 50.9 -68.1 -38.7 -18.6 29.3 17.4 237 237 A A H > S+ 0 0 0 -3,-0.2 4,-2.8 1,-0.2 5,-0.3 0.801 91.6 79.1 -68.6 -31.4 -19.6 26.9 14.7 238 238 A Q H X S+ 0 0 22 -4,-1.5 4,-2.7 1,-0.2 5,-0.3 0.898 96.0 39.0 -54.2 -58.7 -16.6 27.4 12.4 239 239 A P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.881 117.2 53.3 -61.4 -35.3 -13.9 25.3 14.1 240 240 A I H X S+ 0 0 15 -4,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.929 111.6 44.7 -57.6 -45.0 -16.6 22.6 14.9 241 241 A I H X S+ 0 0 5 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.855 113.0 50.7 -75.0 -33.5 -17.6 22.5 11.2 242 242 A E H X S+ 0 0 16 -4,-2.7 4,-3.2 -5,-0.3 -1,-0.2 0.892 109.6 53.3 -64.9 -40.1 -14.0 22.4 10.2 243 243 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.988 107.6 46.9 -57.5 -64.1 -13.5 19.6 12.6 244 244 A A H X S+ 0 0 5 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.860 115.6 49.1 -47.6 -40.4 -16.3 17.4 11.3 245 245 A A H X S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.2 5,-0.3 0.981 110.4 48.6 -61.0 -57.6 -15.0 18.0 7.8 246 246 A R H X S+ 0 0 67 -4,-3.2 4,-2.9 1,-0.3 -2,-0.2 0.923 111.1 50.2 -54.4 -48.6 -11.4 17.3 8.6 247 247 A I H X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 -1,-0.3 0.892 112.5 48.0 -53.7 -45.3 -12.3 14.0 10.4 248 248 A Y H >< S+ 0 0 20 -4,-2.0 3,-0.8 -5,-0.3 4,-0.4 0.915 110.7 48.5 -67.0 -44.3 -14.4 13.0 7.4 249 249 A I H >X S+ 0 0 13 -4,-3.0 3,-3.5 1,-0.2 4,-0.6 0.956 104.4 62.9 -53.7 -48.3 -11.7 13.8 4.8 250 250 A E H 3X S+ 0 0 14 -4,-2.9 4,-1.4 1,-0.3 -1,-0.2 0.775 88.1 70.9 -48.6 -30.9 -9.3 11.9 7.0 251 251 A I H S+ 0 0 0 -3,-3.5 4,-2.6 -4,-0.4 -1,-0.2 0.944 100.5 50.5 -70.7 -46.7 -10.1 8.8 2.8 253 253 A D H X S+ 0 0 60 -4,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.804 109.6 56.0 -61.3 -27.6 -6.5 8.4 3.8 254 254 A E H X S+ 0 0 31 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.986 105.3 47.1 -64.2 -58.3 -7.8 5.5 5.9 255 255 A V H <>S+ 0 0 7 -4,-2.3 5,-3.0 1,-0.2 6,-0.4 0.897 114.6 50.9 -49.9 -42.1 -9.5 3.8 2.9 256 256 A R H ><5S+ 0 0 51 -4,-2.6 3,-2.2 3,-0.2 -1,-0.2 0.960 109.3 47.8 -56.5 -59.3 -6.2 4.3 1.1 257 257 A Q H 3<5S+ 0 0 123 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.880 108.7 54.9 -49.3 -45.0 -4.0 2.9 3.9 258 258 A A T ><5S- 0 0 33 -4,-3.0 3,-0.9 -5,-0.1 -1,-0.3 0.275 118.7-114.6 -73.5 14.0 -6.3 -0.1 4.1 259 259 A N T < 5 - 0 0 118 -3,-2.2 -55,-0.3 1,-0.2 -3,-0.2 0.894 62.8 -67.5 50.2 43.7 -5.7 -0.7 0.3 260 260 A Y T 3 - 0 0 123 -2,-0.6 4,-2.3 1,-0.1 5,-0.1 -0.225 17.3-123.0 -49.9 144.4 -9.0 6.6 15.8 270 270 A K H > S+ 0 0 157 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.833 114.3 55.6 -51.9 -38.7 -10.4 8.8 18.6 271 271 A R H > S+ 0 0 168 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 106.1 48.4 -68.6 -39.9 -6.8 9.9 19.3 272 272 A K H > S+ 0 0 44 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.913 107.7 57.4 -65.2 -43.4 -6.3 11.1 15.7 273 273 A K H X S+ 0 0 17 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.913 109.7 43.8 -45.5 -52.3 -9.6 12.9 16.0 274 274 A A H X S+ 0 0 32 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.893 109.1 56.8 -65.6 -43.5 -8.1 14.8 19.0 275 275 A K H X S+ 0 0 104 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.938 111.3 43.8 -52.2 -49.1 -4.9 15.4 17.2 276 276 A L H X S+ 0 0 4 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.949 110.5 53.6 -60.5 -51.8 -6.9 17.1 14.4 277 277 A F H X S+ 0 0 62 -4,-2.8 4,-3.5 1,-0.2 5,-0.3 0.889 108.7 52.3 -50.2 -42.9 -9.1 19.0 16.8 278 278 A H H X S+ 0 0 124 -4,-3.1 4,-3.6 1,-0.2 -1,-0.2 0.932 108.5 48.2 -60.1 -49.3 -5.8 20.3 18.3 279 279 A E H X S+ 0 0 93 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.891 120.7 37.4 -57.9 -44.6 -4.4 21.4 15.0 280 280 A I H >< S+ 0 0 8 -4,-2.7 3,-0.6 2,-0.2 -2,-0.2 0.976 117.0 50.4 -70.6 -59.5 -7.7 23.2 14.1 281 281 A N H >< S+ 0 0 77 -4,-3.5 3,-2.1 1,-0.2 -2,-0.2 0.896 107.0 57.5 -39.7 -52.4 -8.3 24.4 17.7 282 282 A S H 3< S+ 0 0 85 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.887 102.1 53.9 -53.0 -44.0 -4.7 25.8 17.8 283 283 A K T << 0 0 148 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.298 360.0 360.0 -78.2 16.5 -5.4 28.0 14.7 284 284 A Y < 0 0 116 -3,-2.1 -1,-0.0 -4,-0.1 -4,-0.0 -0.959 360.0 360.0-122.1 360.0 -8.5 29.7 16.3