==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-JAN-10 3ACX . COMPND 2 MOLECULE: DEHYDROSQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.I.LIU,W.Y.JENG,A.H.J.WANG,E.OLDFIELD . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 76.1 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 . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 60.9 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 3 0 0 0 2 0 1 2 1 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 0 144 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 132.3 47.7 16.0 80.0 2 2 A T > - 0 0 80 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.456 360.0-102.4 -80.1 166.6 44.5 17.4 78.7 3 3 A M H > S+ 0 0 153 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.916 125.1 51.1 -53.9 -44.6 42.3 15.4 76.3 4 4 A M H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 105.2 55.2 -65.4 -39.1 43.6 17.5 73.4 5 5 A D H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 105.0 54.7 -56.9 -40.1 47.2 16.9 74.5 6 6 A M H X S+ 0 0 99 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.896 105.9 52.3 -61.9 -38.6 46.4 13.1 74.3 7 7 A N H X S+ 0 0 19 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.940 112.4 43.7 -62.2 -47.6 45.2 13.5 70.7 8 8 A F H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.877 109.6 56.4 -67.0 -36.0 48.4 15.3 69.6 9 9 A K H X S+ 0 0 127 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.900 107.8 49.4 -63.3 -38.3 50.6 12.8 71.5 10 10 A Y H X S+ 0 0 34 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.915 109.1 51.2 -65.1 -43.3 49.1 10.0 69.5 11 11 A C H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.907 109.1 52.2 -58.8 -40.4 49.6 11.9 66.2 12 12 A H H X S+ 0 0 41 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.922 106.6 52.9 -59.6 -46.5 53.2 12.3 67.3 13 13 A K H X S+ 0 0 133 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.919 109.7 48.9 -54.8 -47.3 53.5 8.6 67.9 14 14 A I H X S+ 0 0 22 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.929 113.1 46.3 -60.5 -47.3 52.2 7.9 64.4 15 15 A M H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 8,-0.3 0.942 114.3 46.3 -63.3 -45.9 54.6 10.3 62.7 16 16 A K H < S+ 0 0 110 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.875 111.5 52.2 -67.8 -34.7 57.7 9.1 64.6 17 17 A K H < S+ 0 0 168 -4,-2.4 3,-0.2 -5,-0.3 -1,-0.2 0.916 117.3 38.7 -63.8 -41.7 56.8 5.5 64.0 18 18 A H H < S+ 0 0 82 -4,-2.0 2,-0.4 1,-0.3 -2,-0.2 0.847 128.0 23.5 -81.2 -37.8 56.5 6.1 60.2 19 19 A S X + 0 0 8 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.3 -0.814 47.4 177.1-138.9 101.5 59.3 8.5 59.7 20 20 A K H > S+ 0 0 102 -2,-0.4 4,-2.2 -3,-0.2 5,-0.2 0.861 89.5 55.5 -64.5 -32.6 62.4 8.8 61.9 21 21 A S H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.944 110.8 39.2 -64.7 -52.6 63.7 11.5 59.5 22 22 A F H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.876 117.0 50.6 -72.1 -34.2 60.7 13.8 59.5 23 23 A S H X S+ 0 0 3 -4,-2.1 4,-2.2 -8,-0.3 -1,-0.2 0.934 106.8 55.4 -64.5 -44.6 60.2 13.4 63.3 24 24 A Y H < S+ 0 0 67 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.931 119.6 31.7 -54.1 -47.2 63.9 14.1 64.0 25 25 A A H >< S+ 0 0 0 -4,-1.8 3,-1.8 -5,-0.2 -2,-0.2 0.961 120.6 45.8 -76.9 -53.9 63.7 17.4 62.1 26 26 A F H >< S+ 0 0 21 -4,-2.7 3,-1.9 1,-0.3 -3,-0.2 0.776 97.9 70.8 -72.2 -19.9 60.1 18.7 62.7 27 27 A D T 3< S+ 0 0 32 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 0.652 89.2 67.3 -65.9 -12.6 60.1 17.9 66.4 28 28 A L T < S+ 0 0 84 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.536 79.5 103.9 -82.3 -9.4 62.5 20.8 66.7 29 29 A L S < S- 0 0 7 -3,-1.9 208,-0.1 -4,-0.2 5,-0.0 -0.304 90.5 -79.9 -65.9 158.8 59.8 23.3 65.7 30 30 A P >> - 0 0 57 0, 0.0 4,-2.7 0, 0.0 3,-0.6 -0.252 54.7-100.8 -53.7 150.0 58.1 25.6 68.3 31 31 A E H 3> S+ 0 0 97 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.827 118.8 47.2 -49.1 -49.7 55.4 23.6 70.1 32 32 A D H 3> S+ 0 0 132 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.884 116.1 45.9 -66.8 -34.5 52.3 24.9 68.3 33 33 A Q H <> S+ 0 0 45 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.927 111.7 49.4 -73.1 -44.1 53.9 24.4 64.9 34 34 A R H X S+ 0 0 66 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.916 109.2 53.8 -62.7 -39.3 55.3 20.9 65.6 35 35 A K H X S+ 0 0 32 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.910 108.0 49.9 -60.9 -42.3 51.9 19.9 67.0 36 36 A A H X S+ 0 0 7 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.916 110.2 50.7 -61.6 -43.9 50.2 21.0 63.7 37 37 A V H X S+ 0 0 3 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.929 108.2 52.7 -58.8 -44.6 52.8 19.0 61.7 38 38 A W H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.913 111.2 46.1 -57.6 -45.6 52.1 15.9 63.8 39 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.927 114.8 45.8 -64.8 -46.1 48.3 16.2 63.1 40 40 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.940 114.8 48.2 -63.2 -45.3 48.7 16.8 59.4 41 41 A Y H X S+ 0 0 36 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.933 110.2 51.8 -59.5 -46.9 51.2 14.0 59.0 42 42 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.904 108.6 50.7 -61.5 -40.7 49.1 11.6 61.0 43 43 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.935 113.2 45.9 -59.0 -47.5 46.0 12.3 58.8 44 44 A C H X S+ 0 0 16 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.889 112.2 50.6 -66.7 -36.7 48.1 11.7 55.6 45 45 A R H X S+ 0 0 57 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.916 109.5 50.9 -65.0 -42.7 49.7 8.5 57.1 46 46 A K H X S+ 0 0 53 -4,-2.6 4,-0.6 -5,-0.2 3,-0.3 0.911 109.4 50.9 -61.7 -40.3 46.2 7.2 58.0 47 47 A I H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.920 105.5 57.1 -60.9 -41.3 45.1 7.9 54.4 48 48 A D H 3< S+ 0 0 93 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.822 115.9 34.8 -60.5 -34.4 48.1 6.0 53.1 49 49 A D H >< S+ 0 0 77 -4,-1.4 3,-0.6 -3,-0.3 4,-0.4 0.360 92.0 100.9 -93.5 -4.9 47.1 2.8 55.0 50 50 A S G X< S+ 0 0 0 -3,-1.1 3,-1.1 -4,-0.6 4,-0.5 0.807 71.4 55.7 -67.8 -36.5 43.4 3.2 54.7 51 51 A I G >> S+ 0 0 27 -4,-0.4 4,-2.1 1,-0.2 3,-0.5 0.869 104.6 55.9 -63.8 -35.2 42.4 0.8 51.9 52 52 A D G <4 S+ 0 0 138 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.565 83.0 84.3 -77.9 -7.3 44.1 -2.1 53.7 53 53 A V G <4 S- 0 0 76 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.1 0.968 125.3 -8.7 -56.6 -53.8 42.0 -1.8 56.9 54 54 A Y T <4 S- 0 0 147 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.1 0.639 103.9-102.0-110.6 -30.7 39.2 -3.8 55.3 55 55 A G S < S+ 0 0 53 -4,-2.1 2,-0.2 1,-0.5 -3,-0.2 0.380 93.1 61.4 116.6 4.2 40.4 -4.1 51.7 56 56 A D S > S- 0 0 62 -5,-0.4 3,-0.5 -6,-0.2 -1,-0.5 -0.789 100.4 -77.9-145.2-173.8 38.2 -1.4 50.1 57 57 A I T 3> S+ 0 0 51 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.443 91.5 104.9 -73.6 1.3 37.4 2.3 50.2 58 58 A Q H 3> S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.905 84.8 37.7 -49.5 -58.2 35.3 2.2 53.4 59 59 A F H <> S+ 0 0 23 -3,-0.5 4,-2.4 -9,-0.4 -1,-0.2 0.874 115.0 55.4 -67.8 -36.2 37.8 3.6 55.9 60 60 A L H > S+ 0 0 1 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.916 107.4 49.7 -65.9 -37.7 39.1 6.1 53.3 61 61 A N H X S+ 0 0 70 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.861 108.2 53.8 -66.4 -32.9 35.6 7.5 52.8 62 62 A Q H X S+ 0 0 54 -4,-1.6 4,-2.0 -5,-0.2 19,-0.4 0.913 110.3 47.4 -64.1 -43.6 35.2 7.8 56.5 63 63 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.940 112.1 49.8 -60.5 -48.7 38.4 9.8 56.6 64 64 A K H X S+ 0 0 67 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.918 110.1 49.2 -59.1 -44.4 37.2 12.0 53.7 65 65 A E H X S+ 0 0 93 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.889 109.4 53.2 -66.1 -35.4 33.8 12.7 55.3 66 66 A D H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.929 110.4 46.7 -61.8 -43.9 35.5 13.6 58.6 67 67 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.923 111.1 52.3 -65.5 -40.8 37.8 16.1 56.8 68 68 A Q H X S+ 0 0 77 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.870 106.9 53.3 -61.6 -36.7 34.7 17.5 54.9 69 69 A S H X S+ 0 0 37 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.903 109.9 47.9 -63.9 -42.5 32.9 17.9 58.3 70 70 A I H < S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.909 112.5 49.0 -63.9 -44.7 35.9 19.9 59.6 71 71 A E H < S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.931 118.9 37.7 -59.5 -46.4 36.0 22.1 56.4 72 72 A K H < S+ 0 0 143 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.896 135.6 18.1 -75.3 -38.3 32.2 22.8 56.5 73 73 A Y >< + 0 0 111 -4,-2.8 3,-1.5 -5,-0.2 -1,-0.2 -0.615 65.7 163.3-135.9 68.5 31.8 23.2 60.3 74 74 A P T 3 S+ 0 0 38 0, 0.0 21,-0.1 0, 0.0 -1,-0.1 0.767 79.9 46.1 -65.4 -23.0 35.2 23.8 61.9 75 75 A Y T 3 S+ 0 0 161 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.216 96.0 91.7-105.2 12.5 33.7 25.1 65.2 76 76 A E S < S- 0 0 117 -3,-1.5 2,-0.3 -7,-0.2 -3,-0.1 -0.788 81.6-107.2-104.0 148.8 31.0 22.3 65.6 77 77 A Y - 0 0 172 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.625 39.7-163.5 -70.8 131.9 31.3 19.0 67.6 78 78 A H - 0 0 25 -2,-0.3 2,-1.3 -12,-0.0 -12,-0.0 -0.947 27.2-137.7-118.9 140.2 31.6 16.0 65.2 79 79 A H - 0 0 161 -2,-0.4 2,-0.1 2,-0.0 -2,-0.0 -0.816 40.8-145.2 -84.8 92.3 31.1 12.2 65.8 80 80 A F - 0 0 14 -2,-1.3 4,-0.2 1,-0.1 -17,-0.1 -0.387 12.5-153.7 -66.4 140.8 34.1 11.4 63.6 81 81 A Q S S+ 0 0 84 -19,-0.4 -18,-0.2 2,-0.1 -1,-0.1 0.618 76.6 34.3 -88.7 -18.7 33.7 8.2 61.6 82 82 A S S S- 0 0 11 -20,-0.3 2,-0.9 1,-0.2 -19,-0.1 0.404 122.9 -10.9-108.5-120.6 37.4 7.4 61.3 83 83 A D > - 0 0 14 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.765 61.4-164.1 -89.6 104.1 40.3 7.9 63.7 84 84 A R H > S+ 0 0 181 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.901 82.3 52.0 -63.6 -40.5 38.8 10.1 66.3 85 85 A R H > S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 111.6 47.1 -61.0 -44.5 42.0 11.3 68.0 86 86 A I H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.925 113.3 48.0 -63.9 -43.9 43.6 12.3 64.7 87 87 A M H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.879 108.6 53.4 -71.0 -34.1 40.5 14.2 63.5 88 88 A M H X S+ 0 0 61 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.912 112.2 46.0 -61.1 -40.4 40.1 16.0 66.8 89 89 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.930 112.5 49.6 -68.8 -43.7 43.7 17.2 66.5 90 90 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.908 109.9 51.7 -60.4 -42.0 43.2 18.2 62.9 91 91 A Q H X S+ 0 0 10 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.910 107.6 52.5 -60.4 -41.7 40.1 20.1 63.8 92 92 A H H X S+ 0 0 56 -4,-1.9 4,-0.5 1,-0.2 3,-0.3 0.929 111.0 47.6 -60.2 -44.0 42.0 21.9 66.5 93 93 A V H >X S+ 0 0 8 -4,-2.4 4,-2.3 1,-0.2 3,-1.7 0.928 108.1 54.7 -60.8 -45.7 44.6 22.9 63.9 94 94 A A H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.778 102.0 58.7 -62.4 -25.9 41.9 24.0 61.4 95 95 A Q H 3< S+ 0 0 54 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.677 118.0 31.6 -72.4 -17.8 40.5 26.4 64.1 96 96 A H H << S+ 0 0 126 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.637 123.3 33.1-113.4 -24.5 43.9 28.1 64.3 97 97 A K S < S- 0 0 100 -4,-2.3 2,-0.4 -5,-0.1 -1,-0.2 -0.949 83.2 -99.1-137.9 153.9 45.4 27.9 60.8 98 98 A N - 0 0 82 -2,-0.3 2,-0.5 -3,-0.1 46,-0.1 -0.581 36.8-158.7 -74.8 123.4 44.2 27.9 57.2 99 99 A I - 0 0 15 -2,-0.4 2,-1.7 -5,-0.2 3,-0.2 -0.933 17.1-135.3-103.4 129.6 44.0 24.3 55.9 100 100 A A >> - 0 0 25 -2,-0.5 3,-1.4 1,-0.2 4,-1.0 -0.617 28.7-179.4 -80.2 83.2 44.2 23.8 52.1 101 101 A F H 3> S+ 0 0 28 -2,-1.7 4,-2.0 1,-0.3 3,-0.4 0.859 73.0 62.9 -59.1 -35.9 41.3 21.2 52.1 102 102 A Q H 3> S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.808 97.4 59.3 -59.5 -28.9 41.5 20.6 48.4 103 103 A S H <> S+ 0 0 9 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.905 104.3 49.2 -68.0 -39.9 45.0 19.3 48.9 104 104 A F H X S+ 0 0 1 -4,-1.0 4,-2.7 -3,-0.4 -2,-0.2 0.912 111.3 50.5 -58.9 -42.6 43.7 16.6 51.2 105 105 A Y H X S+ 0 0 21 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.887 108.7 51.2 -66.9 -34.5 41.0 15.7 48.6 106 106 A N H X S+ 0 0 49 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.897 111.0 48.8 -66.0 -41.1 43.7 15.5 45.9 107 107 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.945 111.7 48.7 -59.8 -48.3 45.7 13.1 48.1 108 108 A I H X S+ 0 0 7 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.922 110.5 51.1 -61.4 -42.5 42.6 11.0 48.8 109 109 A D H X S+ 0 0 70 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.885 108.1 52.7 -61.8 -39.1 41.8 10.8 45.2 110 110 A T H X S+ 0 0 15 -4,-1.9 4,-1.5 22,-0.2 -1,-0.2 0.914 110.3 47.3 -63.2 -42.0 45.3 9.7 44.4 111 111 A V H X S+ 0 0 14 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.915 111.2 51.5 -67.1 -40.3 45.0 6.9 46.9 112 112 A Y H >< S+ 0 0 109 -4,-2.7 3,-1.4 1,-0.2 4,-0.3 0.939 110.4 48.9 -58.3 -45.9 41.6 5.9 45.6 113 113 A K H >< S+ 0 0 112 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.798 96.5 70.7 -68.2 -27.3 43.0 5.7 42.0 114 114 A D H >< S+ 0 0 46 -4,-1.5 3,-1.9 1,-0.3 -1,-0.3 0.750 81.1 74.4 -66.3 -18.9 46.0 3.7 43.1 115 115 A Q T << S+ 0 0 66 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.847 102.4 42.7 -53.9 -30.3 43.6 0.8 43.6 116 116 A H T < S+ 0 0 124 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 -0.059 90.6 173.5-109.8 30.2 43.6 0.6 39.8 117 117 A F < + 0 0 41 -3,-1.9 2,-0.3 1,-0.0 -3,-0.1 -0.073 8.8 172.4 -49.6 131.2 47.3 1.1 39.5 118 118 A T - 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0 0 29 -2,-0.4 -62,-0.4 -3,-0.1 -9,-0.0 -0.996 4.9-176.7-127.4 125.6 57.0 0.1 39.7 183 183 A Y + 0 0 23 -2,-0.4 2,-0.1 -64,-0.1 -1,-0.1 0.609 52.7 99.8-101.5 -17.2 57.0 3.9 39.7 184 184 A F S S- 0 0 3 1,-0.1 -64,-0.2 -15,-0.1 2,-0.1 -0.456 84.4-105.0 -62.6 144.0 59.7 4.5 37.0 185 185 A S > - 0 0 0 1,-0.1 4,-2.8 -2,-0.1 -64,-0.2 -0.392 13.1-124.8 -76.9 153.3 57.9 5.3 33.7 186 186 A K H > S+ 0 0 91 -66,-3.1 4,-2.5 1,-0.2 5,-0.2 0.885 111.7 56.1 -59.1 -37.0 57.5 2.8 30.9 187 187 A Q H > S+ 0 0 77 -66,-1.9 4,-2.4 -67,-0.2 -1,-0.2 0.940 111.7 40.9 -62.8 -44.3 59.1 5.4 28.5 188 188 A R H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 112.8 53.8 -75.8 -37.6 62.2 5.7 30.7 189 189 A L H X>S+ 0 0 16 -4,-2.8 5,-2.6 1,-0.2 4,-0.5 0.910 112.2 46.1 -58.5 -42.5 62.5 2.0 31.4 190 190 A K H ><5S+ 0 0 179 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.931 111.4 51.5 -65.9 -44.2 62.4 1.4 27.6 191 191 A Q H 3<5S+ 0 0 97 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.896 116.9 38.5 -60.7 -40.9 64.9 4.1 26.9 192 192 A Y H 3<5S- 0 0 51 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.404 109.3-122.3 -90.9 -1.0 67.4 2.8 29.5 193 193 A E T <<5 + 0 0 143 -3,-0.9 2,-0.4 -4,-0.5 -3,-0.2 0.935 58.0 152.7 58.7 54.1 66.7 -0.9 28.6 194 194 A V < - 0 0 15 -5,-2.6 2,-0.5 13,-0.1 -1,-0.2 -0.951 31.9-173.3-121.4 133.3 65.7 -1.8 32.2 195 195 A D > - 0 0 97 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.982 13.1-157.1-122.3 110.0 63.3 -4.5 33.4 196 196 A I H > S+ 0 0 4 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.877 93.1 53.8 -60.2 -38.2 62.7 -4.2 37.2 197 197 A A H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 110.4 48.3 -60.8 -40.1 61.7 -7.9 37.5 198 198 A E H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.912 112.9 47.3 -67.0 -40.3 64.9 -8.9 35.8 199 199 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.893 107.7 55.9 -68.1 -39.7 67.0 -6.6 38.1 200 200 A Y H < S+ 0 0 44 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.888 116.2 38.8 -58.9 -39.0 65.2 -7.9 41.2 201 201 A Q H < S+ 0 0 139 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.891 129.5 26.0 -73.6 -43.4 66.3 -11.4 40.1 202 202 A N H < S- 0 0 119 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.500 103.8-114.7-111.0 -7.6 69.8 -10.7 38.8 203 203 A G < - 0 0 32 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.248 49.9 -38.1 95.8 175.1 71.1 -7.6 40.6 204 204 A V - 0 0 51 55,-0.3 2,-0.3 -2,-0.1 56,-0.0 -0.151 51.2-177.3 -70.7 162.7 72.0 -4.2 39.3 205 205 A N > - 0 0 60 1,-0.0 4,-2.5 0, 0.0 5,-0.2 -0.905 46.1 -91.0-144.5 175.7 73.7 -3.4 36.0 206 206 A N H > S+ 0 0 126 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.862 123.9 56.3 -61.9 -32.9 74.9 -0.2 34.4 207 207 A H H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 110.7 43.9 -62.5 -48.7 71.6 0.3 32.6 208 208 A Y H > S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.918 113.2 51.1 -61.5 -45.5 69.7 0.2 35.9 209 209 A I H X S+ 0 0 37 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.928 109.8 50.4 -60.5 -43.4 72.2 2.4 37.7 210 210 A D H X S+ 0 0 86 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.903 112.6 46.7 -61.7 -40.5 72.0 5.0 34.8 211 211 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.940 112.9 48.2 -66.7 -46.7 68.2 5.0 35.1 212 212 A W H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.943 113.0 49.2 -57.0 -46.3 68.2 5.3 38.9 213 213 A E H X S+ 0 0 49 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.814 102.9 61.3 -66.2 -30.7 70.7 8.1 38.6 214 214 A Y H X S+ 0 0 71 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.953 112.1 38.2 -58.9 -47.8 68.6 9.9 36.0 215 215 A Y H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-0.3 0.876 112.0 57.9 -71.7 -37.9 65.8 10.1 38.6 216 216 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.893 102.4 55.4 -59.2 -38.2 68.2 10.9 41.4 217 217 A A H X S+ 0 0 50 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.867 107.0 50.1 -63.3 -34.9 69.4 13.9 39.5 218 218 A I H X S+ 0 0 38 -4,-1.0 4,-2.7 -3,-0.3 -2,-0.2 0.935 110.8 48.6 -66.3 -46.8 65.9 15.2 39.3 219 219 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.893 112.9 49.0 -60.7 -38.1 65.3 14.7 43.0 220 220 A E H X S+ 0 0 50 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.884 110.9 47.9 -70.3 -42.2 68.6 16.5 43.7 221 221 A K H X S+ 0 0 101 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.910 111.1 52.1 -62.6 -43.5 67.8 19.4 41.4 222 222 A D H X S+ 0 0 7 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.937 110.5 49.8 -54.5 -49.0 64.4 19.7 43.1 223 223 A F H X S+ 0 0 28 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.924 110.4 48.1 -57.1 -47.3 66.2 19.8 46.5 224 224 A R H X S+ 0 0 125 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.904 108.6 54.6 -65.3 -37.3 68.6 22.5 45.4 225 225 A D H X S+ 0 0 35 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.904 111.1 46.1 -58.2 -45.1 65.7 24.6 44.0 226 226 A V H >< S+ 0 0 0 -4,-2.1 3,-0.6 2,-0.2 -2,-0.2 0.928 111.2 50.4 -65.8 -46.8 64.0 24.4 47.4 227 227 A M H >< S+ 0 0 32 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.913 109.3 52.6 -59.6 -39.8 67.2 25.2 49.3 228 228 A D H 3< S+ 0 0 135 -4,-2.5 -1,-0.2 1,-0.3 3,-0.2 0.766 116.5 39.5 -64.2 -27.5 67.7 28.3 47.1 229 229 A Q T X< S+ 0 0 60 -4,-1.0 3,-1.8 -3,-0.6 -1,-0.3 0.092 76.8 121.8-109.9 22.9 64.1 29.4 47.8 230 230 A I G X + 0 0 12 -3,-1.3 3,-2.2 1,-0.3 -1,-0.1 0.691 54.7 80.8 -66.7 -19.8 64.1 28.6 51.5 231 231 A K G 3 S+ 0 0 172 1,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.551 72.3 78.9 -68.2 -3.6 63.3 32.2 52.5 232 232 A V G < S+ 0 0 23 -3,-1.8 -84,-0.3 -80,-0.1 -85,-0.3 0.715 87.6 74.5 -68.5 -19.7 59.6 31.6 51.7 233 233 A F S < S- 0 0 12 -3,-2.2 -87,-0.3 -4,-0.2 5,-0.1 -0.516 99.4 -86.6 -95.3 162.0 59.4 29.8 55.0 234 234 A S > - 0 0 3 -89,-2.6 4,-2.1 -2,-0.2 3,-0.2 -0.232 40.1-111.8 -61.8 154.7 59.4 31.3 58.5 235 235 A I T 4 S+ 0 0 100 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.892 118.4 48.5 -58.3 -38.8 62.8 32.1 60.1 236 236 A E T > S+ 0 0 89 1,-0.2 4,-0.6 2,-0.1 -1,-0.2 0.853 113.6 47.3 -68.6 -34.6 62.2 29.3 62.7 237 237 A A H > S+ 0 0 0 -3,-0.2 4,-2.9 1,-0.2 5,-0.3 0.798 93.1 79.3 -78.5 -28.2 61.2 26.8 60.1 238 238 A Q H X S+ 0 0 17 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.904 96.8 40.1 -52.3 -53.2 64.0 27.4 57.7 239 239 A P H > S+ 0 0 27 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.851 116.2 52.9 -67.8 -28.4 66.8 25.4 59.4 240 240 A I H X S+ 0 0 18 -4,-0.6 4,-2.7 -3,-0.3 -2,-0.2 0.902 111.0 45.7 -68.0 -43.6 64.3 22.7 60.3 241 241 A I H X S+ 0 0 3 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.907 112.3 51.0 -67.0 -44.0 63.1 22.3 56.7 242 242 A E H X S+ 0 0 11 -4,-2.6 4,-2.8 -5,-0.3 -2,-0.2 0.926 112.4 48.2 -56.7 -44.2 66.8 22.3 55.5 243 243 A L H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.936 111.7 48.1 -61.8 -49.0 67.5 19.6 58.0 244 244 A A H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.927 115.4 45.0 -57.3 -48.4 64.5 17.5 57.0 245 245 A A H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.902 114.7 47.7 -65.1 -42.2 65.4 17.8 53.3 246 246 A R H X S+ 0 0 47 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.904 112.2 49.4 -67.6 -40.1 69.1 17.1 53.9 247 247 A I H < S+ 0 0 0 -4,-2.9 4,-0.5 -5,-0.2 -1,-0.2 0.911 114.8 45.3 -61.8 -44.4 68.4 14.1 56.1 248 248 A Y H >< S+ 0 0 13 -4,-2.2 3,-1.8 -5,-0.3 4,-0.3 0.949 111.6 50.0 -70.2 -43.8 66.0 12.7 53.5 249 249 A I H >X S+ 0 0 20 -4,-2.8 3,-1.7 1,-0.3 4,-0.6 0.774 94.5 73.3 -68.8 -23.2 68.2 13.3 50.5 250 250 A E H 3X S+ 0 0 35 -4,-1.6 4,-1.9 1,-0.3 3,-0.4 0.768 80.9 76.3 -55.7 -24.6 71.1 11.6 52.3 251 251 A I H <> S+ 0 0 4 -3,-1.8 4,-2.5 -4,-0.5 -1,-0.3 0.861 85.2 61.9 -53.7 -36.5 69.2 8.4 51.6 252 252 A L H <> S+ 0 0 1 -3,-1.7 4,-2.2 -4,-0.3 -1,-0.2 0.930 104.5 45.5 -61.1 -43.2 70.4 8.7 48.0 253 253 A D H X S+ 0 0 71 -4,-0.6 4,-2.8 -3,-0.4 -1,-0.2 0.867 109.9 55.9 -65.4 -33.8 74.0 8.3 49.1 254 254 A E H X S+ 0 0 27 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.900 106.9 49.6 -64.4 -38.8 73.0 5.4 51.3 255 255 A V H <>S+ 0 0 7 -4,-2.5 5,-2.8 2,-0.2 6,-0.4 0.956 112.3 47.6 -62.5 -46.8 71.5 3.7 48.3 256 256 A R H ><5S+ 0 0 51 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.916 109.5 52.6 -59.2 -44.6 74.7 4.3 46.3 257 257 A Q H 3<5S+ 0 0 130 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.827 108.6 51.8 -61.3 -32.2 76.8 3.0 49.2 258 258 A A T ><5S- 0 0 31 -4,-1.6 3,-1.1 -3,-0.3 -1,-0.3 0.163 121.0-109.4 -90.2 16.3 74.7 -0.2 49.3 259 259 A N T < 5 - 0 0 119 -3,-1.9 -55,-0.3 1,-0.2 -3,-0.2 0.832 63.3 -69.3 58.2 35.6 75.2 -0.7 45.6 260 260 A Y T 3 > - 0 0 108 -2,-0.7 4,-1.9 1,-0.1 3,-1.1 -0.188 19.9-107.8 -64.4 158.8 71.4 6.3 61.1 270 270 A K H 3> S+ 0 0 156 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.867 118.2 57.5 -52.8 -43.5 70.5 8.7 63.9 271 271 A R H 3> S+ 0 0 162 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.839 107.3 49.0 -62.2 -30.8 74.2 9.7 64.5 272 272 A K H <> S+ 0 0 50 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.853 106.6 55.1 -75.8 -35.5 74.3 10.8 60.8 273 273 A K H X S+ 0 0 19 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.916 108.2 50.8 -57.6 -42.0 71.1 12.8 61.3 274 274 A A H X S+ 0 0 31 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.896 105.4 54.6 -65.5 -40.1 72.8 14.5 64.2 275 275 A K H X S+ 0 0 134 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.926 109.3 48.3 -58.5 -44.3 75.9 15.4 62.1 276 276 A L H X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.901 108.5 54.4 -63.4 -41.0 73.6 17.1 59.6 277 277 A F H X S+ 0 0 70 -4,-2.2 4,-3.5 1,-0.2 5,-0.3 0.941 109.3 48.1 -54.8 -47.2 71.9 19.0 62.4 278 278 A H H X S+ 0 0 124 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.925 111.1 50.1 -64.5 -42.8 75.3 20.3 63.6 279 279 A E H X S+ 0 0 89 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.902 118.8 37.4 -60.6 -43.0 76.3 21.3 60.0 280 280 A I H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.903 114.4 53.8 -76.3 -43.5 73.0 23.2 59.5 281 281 A N H < S+ 0 0 91 -4,-3.5 -2,-0.2 -5,-0.3 -3,-0.2 0.844 108.6 51.2 -60.8 -34.7 72.7 24.6 63.0 282 282 A S H < S+ 0 0 79 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.852 107.5 53.9 -68.2 -35.8 76.2 26.0 62.7 283 283 A K H < 0 0 129 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.869 360.0 360.0 -65.2 -40.6 75.2 27.6 59.4 284 284 A Y < 0 0 105 -4,-2.0 -2,-0.2 -45,-0.0 -3,-0.2 0.783 360.0 360.0 -91.7 360.0 72.2 29.4 61.1