==== 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 3ACW . 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) . 14354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 73.9 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 . 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 . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 60.2 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 3 0 0 2 1 1 0 1 0 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 0 137 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.4 47.6 15.9 79.7 2 2 A T > - 0 0 79 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.339 360.0-100.9 -73.5 167.3 44.4 17.4 78.4 3 3 A M H > S+ 0 0 150 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.910 125.6 49.4 -52.5 -46.0 42.2 15.6 75.9 4 4 A M H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 106.1 55.1 -68.9 -35.7 43.6 17.7 73.1 5 5 A D H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.896 106.7 53.1 -57.1 -43.1 47.1 17.0 74.2 6 6 A M H X S+ 0 0 105 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.898 107.3 51.4 -59.7 -42.2 46.3 13.3 74.0 7 7 A N H X S+ 0 0 9 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.935 113.0 44.1 -60.3 -49.1 45.1 13.8 70.4 8 8 A F H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.864 109.3 56.3 -65.1 -38.7 48.3 15.6 69.3 9 9 A K H X S+ 0 0 135 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.899 107.4 50.2 -62.2 -37.5 50.5 13.0 71.1 10 10 A Y H X S+ 0 0 38 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.928 108.3 51.3 -62.3 -44.2 48.8 10.3 69.1 11 11 A C H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.909 109.3 51.8 -60.0 -39.8 49.4 12.2 65.9 12 12 A H H X S+ 0 0 42 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.915 107.1 53.1 -60.0 -46.6 53.1 12.5 66.9 13 13 A K H X S+ 0 0 148 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.914 109.7 48.0 -55.0 -46.4 53.2 8.7 67.5 14 14 A I H X S+ 0 0 29 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.933 113.8 47.2 -63.3 -44.8 51.9 8.0 64.0 15 15 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 8,-0.3 0.933 113.9 45.4 -62.3 -47.7 54.4 10.5 62.5 16 16 A K H < S+ 0 0 108 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.865 112.4 52.6 -67.8 -34.8 57.5 9.2 64.4 17 17 A K H < S+ 0 0 168 -4,-2.4 3,-0.2 -5,-0.3 -1,-0.2 0.912 115.6 39.5 -65.6 -39.7 56.5 5.5 63.6 18 18 A H H < S+ 0 0 83 -4,-2.0 2,-0.4 1,-0.2 -2,-0.2 0.878 128.9 20.1 -79.7 -43.8 56.2 6.2 59.9 19 19 A S X - 0 0 11 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 -0.850 45.8-179.9-139.5 107.3 59.2 8.5 59.4 20 20 A K H > S+ 0 0 99 -2,-0.4 4,-2.3 -3,-0.2 5,-0.1 0.836 90.9 57.4 -63.9 -31.4 62.2 8.9 61.7 21 21 A S H > S+ 0 0 13 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.954 109.9 38.8 -64.7 -54.4 63.5 11.5 59.2 22 22 A F H > S+ 0 0 22 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.903 117.1 50.8 -70.7 -34.1 60.5 13.9 59.3 23 23 A S H X S+ 0 0 4 -4,-2.0 4,-2.3 -8,-0.3 -1,-0.2 0.945 106.3 55.9 -66.7 -43.5 60.0 13.5 63.0 24 24 A Y H < S+ 0 0 58 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.920 118.8 32.4 -51.5 -47.0 63.7 14.2 63.7 25 25 A A H >< S+ 0 0 0 -4,-1.8 3,-1.8 2,-0.1 -2,-0.2 0.964 119.7 46.6 -78.3 -52.6 63.5 17.5 61.9 26 26 A F H >< S+ 0 0 18 -4,-2.9 3,-1.9 1,-0.3 -3,-0.2 0.778 98.4 69.7 -71.3 -21.1 59.9 18.7 62.5 27 27 A D T 3< S+ 0 0 35 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.1 0.655 89.9 67.2 -65.0 -12.1 60.0 18.0 66.2 28 28 A L T < S+ 0 0 84 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.575 79.5 104.6 -83.4 -8.9 62.4 20.9 66.4 29 29 A L S < S- 0 0 6 -3,-1.9 5,-0.1 -4,-0.2 208,-0.0 -0.271 89.8 -82.4 -65.7 157.3 59.7 23.4 65.4 30 30 A P >> - 0 0 56 0, 0.0 4,-2.7 0, 0.0 3,-0.6 -0.292 54.2-100.6 -54.4 149.4 58.2 25.7 68.1 31 31 A E H 3> S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.816 118.9 48.3 -46.2 -49.3 55.4 23.8 69.9 32 32 A D H 3> S+ 0 0 127 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 116.1 44.7 -66.9 -35.4 52.4 25.3 68.1 33 33 A Q H <> S+ 0 0 44 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.921 111.6 50.2 -74.2 -44.3 53.9 24.6 64.7 34 34 A R H X S+ 0 0 67 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.914 109.5 52.7 -62.0 -41.0 55.2 21.1 65.4 35 35 A K H X S+ 0 0 34 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.933 109.0 49.6 -58.1 -45.8 51.8 20.1 66.8 36 36 A A H X S+ 0 0 8 -4,-1.7 4,-2.4 -5,-0.2 5,-0.2 0.926 110.8 50.2 -58.4 -42.5 50.1 21.4 63.6 37 37 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.929 108.0 52.8 -61.5 -44.2 52.6 19.4 61.5 38 38 A W H X S+ 0 0 14 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.916 110.9 47.4 -55.9 -45.3 52.0 16.2 63.5 39 39 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.951 115.2 43.6 -66.0 -47.3 48.2 16.5 62.9 40 40 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.933 115.2 49.1 -61.8 -46.2 48.5 17.2 59.2 41 41 A Y H X S+ 0 0 23 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.927 110.1 51.4 -58.9 -42.2 51.1 14.5 58.7 42 42 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.888 108.3 51.4 -65.4 -41.1 49.0 12.0 60.6 43 43 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.930 110.1 50.3 -57.7 -46.2 45.9 12.7 58.5 44 44 A C H X S+ 0 0 6 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.913 110.6 49.1 -65.1 -39.2 48.0 12.1 55.4 45 45 A R H X S+ 0 0 33 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.889 108.9 51.8 -63.0 -41.5 49.3 8.8 56.7 46 46 A K H < S+ 0 0 52 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.897 111.2 48.2 -64.4 -38.3 45.8 7.6 57.6 47 47 A I H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.938 110.7 51.8 -63.8 -48.4 44.7 8.4 54.0 48 48 A D H 3< S+ 0 0 62 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.866 117.0 38.1 -56.6 -35.0 47.8 6.6 52.7 49 49 A D T 3< S+ 0 0 88 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.345 88.9 102.8 -96.6 3.1 47.1 3.4 54.7 50 50 A S X + 0 0 1 -3,-1.1 3,-1.0 -4,-0.4 4,-0.4 0.750 66.6 59.8 -66.7 -33.8 43.3 3.4 54.4 51 51 A I G >>>S+ 0 0 29 -4,-0.3 4,-2.2 -3,-0.3 3,-0.5 0.868 99.0 58.1 -70.9 -32.7 42.4 0.8 51.8 52 52 A D G 345S+ 0 0 151 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.522 82.7 84.6 -79.5 -2.2 44.0 -2.2 53.6 53 53 A V G <45S- 0 0 80 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.975 124.8 -8.4 -60.6 -54.5 41.9 -1.7 56.7 54 54 A Y T <45S- 0 0 178 -3,-0.5 -2,-0.2 -4,-0.4 -1,-0.1 0.582 103.5-103.0-109.3 -26.5 39.0 -3.8 55.2 55 55 A G T <5S+ 0 0 52 -4,-2.2 2,-0.2 1,-0.4 -3,-0.2 0.470 93.7 66.5 107.5 8.4 40.4 -4.1 51.7 56 56 A D S S+ 0 0 54 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.460 88.2 102.7 -82.4 0.3 37.2 2.2 50.1 58 58 A Q H > S+ 0 0 94 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.904 84.6 40.5 -53.3 -55.9 35.1 2.4 53.3 59 59 A F H > S+ 0 0 27 -3,-0.4 4,-2.4 -9,-0.3 -1,-0.2 0.868 114.1 54.8 -62.6 -35.5 37.6 4.0 55.7 60 60 A L H > S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.917 106.8 50.7 -65.2 -38.5 38.9 6.3 53.0 61 61 A N H X S+ 0 0 43 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.870 109.3 52.2 -65.1 -34.8 35.4 7.6 52.4 62 62 A Q H X S+ 0 0 60 -4,-1.7 4,-2.5 -5,-0.2 19,-0.4 0.911 108.3 49.9 -69.6 -41.2 35.0 8.2 56.1 63 63 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.943 111.1 49.8 -60.4 -47.6 38.2 10.2 56.3 64 64 A K H X S+ 0 0 45 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.935 110.4 49.3 -58.8 -45.8 37.0 12.3 53.3 65 65 A E H X S+ 0 0 94 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.892 110.1 52.6 -61.4 -39.4 33.6 13.0 54.9 66 66 A D H X S+ 0 0 3 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.930 110.0 46.5 -60.5 -46.6 35.4 14.0 58.1 67 67 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.917 110.4 54.2 -63.3 -42.1 37.6 16.5 56.4 68 68 A Q H X S+ 0 0 83 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.872 106.0 52.8 -58.1 -38.0 34.6 17.9 54.5 69 69 A S H X S+ 0 0 42 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.900 109.7 48.6 -64.6 -41.5 32.8 18.4 57.8 70 70 A I H < S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.920 111.8 49.3 -63.1 -46.4 35.8 20.4 59.1 71 71 A E H < S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.937 118.1 38.0 -58.3 -48.9 36.0 22.5 56.0 72 72 A K H < S+ 0 0 149 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.854 134.4 19.5 -74.9 -34.8 32.3 23.4 56.0 73 73 A Y >< + 0 0 117 -4,-2.5 3,-1.6 -5,-0.2 -1,-0.2 -0.532 64.4 163.3-138.0 69.3 31.9 23.8 59.8 74 74 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.737 79.6 47.2 -66.4 -19.7 35.2 24.3 61.5 75 75 A Y T 3 S+ 0 0 157 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.250 95.2 90.9-106.8 12.6 33.6 25.6 64.7 76 76 A E S < S- 0 0 122 -3,-1.6 2,-0.5 -7,-0.2 -3,-0.1 -0.758 82.3-106.2-104.2 156.0 31.0 23.0 65.1 77 77 A Y - 0 0 133 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.679 39.5-163.0 -80.7 126.0 31.2 19.7 67.1 78 78 A H - 0 0 22 -2,-0.5 2,-1.2 -12,-0.0 -12,-0.0 -0.888 24.5-139.5-112.1 141.0 31.5 16.7 64.7 79 79 A H - 0 0 159 -2,-0.4 -2,-0.0 2,-0.0 5,-0.0 -0.781 38.3-144.9 -88.9 90.3 30.9 13.0 65.4 80 80 A F - 0 0 26 -2,-1.2 4,-0.2 1,-0.1 -17,-0.1 -0.248 15.3-158.2 -67.6 144.8 33.9 11.9 63.3 81 81 A Q S S+ 0 0 90 -19,-0.4 -18,-0.2 2,-0.1 -1,-0.1 0.647 77.5 38.1 -94.1 -22.7 33.6 8.7 61.3 82 82 A S S S- 0 0 22 -20,-0.3 2,-0.8 1,-0.2 -19,-0.1 0.595 125.6 -16.8 -96.7-108.2 37.2 7.8 60.8 83 83 A D > - 0 0 16 1,-0.2 4,-2.4 2,-0.0 5,-0.2 -0.870 57.8-164.5-106.8 106.1 39.9 8.3 63.5 84 84 A R H > S+ 0 0 101 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.867 84.5 55.7 -60.9 -41.9 38.5 10.8 66.0 85 85 A R H > S+ 0 0 116 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.928 112.2 42.7 -58.3 -45.1 41.9 11.6 67.7 86 86 A I H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.931 115.5 48.3 -68.3 -43.9 43.4 12.7 64.3 87 87 A M H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.869 108.7 53.3 -68.7 -35.0 40.3 14.6 63.2 88 88 A M H X S+ 0 0 28 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.913 112.0 46.6 -60.2 -44.1 39.9 16.5 66.5 89 89 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.935 112.3 49.5 -63.5 -45.7 43.6 17.6 66.1 90 90 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.929 110.9 50.1 -59.7 -43.9 43.1 18.6 62.5 91 91 A Q H X S+ 0 0 11 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.911 107.7 53.6 -62.5 -40.3 40.0 20.6 63.4 92 92 A H H < S+ 0 0 64 -4,-2.1 3,-0.4 1,-0.2 4,-0.4 0.931 111.2 46.5 -56.8 -45.0 41.9 22.3 66.1 93 93 A V H >X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 3,-1.8 0.924 109.4 54.2 -61.6 -46.6 44.6 23.3 63.6 94 94 A A H 3< S+ 0 0 17 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.718 100.1 61.1 -62.4 -24.9 41.9 24.4 61.1 95 95 A Q T 3< S+ 0 0 56 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.636 119.3 27.5 -74.0 -13.7 40.4 26.8 63.7 96 96 A H T <4 S+ 0 0 129 -3,-1.8 2,-0.3 -4,-0.4 -2,-0.2 0.607 122.0 43.1-120.6 -27.5 43.7 28.6 63.9 97 97 A K S < S- 0 0 79 -4,-2.6 2,-0.4 -5,-0.1 -1,-0.2 -0.914 81.0-103.6-130.5 154.3 45.3 28.1 60.4 98 98 A N - 0 0 103 -2,-0.3 2,-0.5 45,-0.1 46,-0.1 -0.590 38.3-162.7 -72.7 123.0 44.4 28.2 56.7 99 99 A I - 0 0 18 -2,-0.4 2,-1.7 -5,-0.2 3,-0.2 -0.954 19.5-134.1-111.2 132.3 44.2 24.6 55.6 100 100 A A >> + 0 0 25 -2,-0.5 3,-1.1 1,-0.2 4,-1.1 -0.625 29.1 179.1 -82.3 83.7 44.3 23.9 51.8 101 101 A F H 3> S+ 0 0 28 -2,-1.7 4,-2.0 1,-0.3 3,-0.3 0.847 74.1 60.5 -58.1 -35.7 41.4 21.4 51.8 102 102 A Q H 3> S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.820 98.7 59.6 -66.8 -26.1 41.5 20.8 48.1 103 103 A S H <> S+ 0 0 10 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.905 105.2 48.2 -67.7 -38.5 45.1 19.5 48.6 104 104 A F H X S+ 0 0 1 -4,-1.1 4,-2.7 -3,-0.3 -2,-0.2 0.903 111.4 50.6 -62.0 -42.2 43.7 16.8 51.0 105 105 A Y H X S+ 0 0 15 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.884 108.5 51.7 -66.3 -34.1 41.0 16.0 48.4 106 106 A N H X S+ 0 0 43 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.905 110.6 48.9 -65.4 -38.6 43.7 15.7 45.7 107 107 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.934 111.9 48.4 -63.5 -47.2 45.6 13.3 47.9 108 108 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.931 110.5 51.4 -59.9 -43.9 42.5 11.2 48.6 109 109 A D H X S+ 0 0 61 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.879 109.0 51.4 -60.8 -38.2 41.7 11.1 44.9 110 110 A T H X S+ 0 0 18 -4,-1.9 4,-1.5 22,-0.2 -1,-0.2 0.903 109.6 49.1 -68.0 -42.4 45.2 9.9 44.2 111 111 A V H X S+ 0 0 14 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.912 110.0 51.3 -63.4 -40.8 44.9 7.1 46.8 112 112 A Y H >< S+ 0 0 47 -4,-2.4 3,-0.9 1,-0.2 4,-0.2 0.881 110.0 49.6 -58.6 -42.3 41.6 6.0 45.3 113 113 A K H >< S+ 0 0 145 -4,-1.7 3,-2.3 1,-0.2 -1,-0.2 0.804 95.7 71.9 -72.9 -27.9 43.0 5.8 41.8 114 114 A D H >< S+ 0 0 46 -4,-1.5 3,-1.8 1,-0.3 -1,-0.2 0.774 81.4 73.2 -63.3 -23.4 45.9 3.7 43.1 115 115 A Q T << S+ 0 0 74 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.794 102.7 41.9 -50.2 -32.3 43.5 0.8 43.5 116 116 A H T < S+ 0 0 141 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.011 89.3 167.5-110.5 27.1 43.6 0.6 39.7 117 117 A F < + 0 0 39 -3,-1.8 2,-0.3 3,-0.0 -3,-0.1 -0.033 8.8 168.1 -46.3 134.1 47.3 1.1 39.3 118 118 A T - 0 0 110 64,-0.0 3,-0.1 63,-0.0 -2,-0.1 -0.928 48.9 -80.4-138.0 154.0 48.9 0.4 36.0 119 119 A M - 0 0 53 -2,-0.3 2,-0.3 1,-0.1 64,-0.1 -0.187 50.1-102.3 -55.7 148.5 52.4 1.5 35.2 120 120 A F - 0 0 23 62,-0.4 66,-2.9 64,-0.3 67,-0.2 -0.564 23.0-154.0 -72.9 130.9 53.0 5.1 34.2 121 121 A E S S+ 0 0 97 -2,-0.3 66,-1.9 64,-0.2 2,-0.3 0.884 76.1 17.5 -67.1 -42.4 53.5 5.4 30.4 122 122 A T S > S- 0 0 57 64,-0.2 4,-1.6 65,-0.1 3,-0.5 -0.843 78.1-110.6-129.3 163.3 55.5 8.6 30.7 123 123 A D H > S+ 0 0 8 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.843 115.5 66.1 -62.4 -31.2 57.5 10.6 33.3 124 124 A A H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 103.0 46.4 -57.4 -39.6 54.8 13.2 33.2 125 125 A E H > S+ 0 0 85 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.890 111.6 50.6 -67.3 -42.7 52.4 10.6 34.7 126 126 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.925 111.2 48.2 -58.0 -45.3 54.9 9.6 37.3 127 127 A F H X S+ 0 0 65 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.860 107.7 55.8 -68.1 -31.5 55.4 13.3 38.3 128 128 A G H X S+ 0 0 43 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.903 108.3 48.8 -63.0 -40.4 51.6 13.7 38.4 129 129 A Y H X S+ 0 0 35 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.927 107.5 54.1 -62.5 -45.0 51.6 10.9 40.9 130 130 A C H X>S+ 0 0 2 -4,-2.4 5,-2.0 1,-0.2 4,-1.7 0.894 109.5 49.2 -58.7 -39.3 54.4 12.5 42.9 131 131 A Y H <>S+ 0 0 55 -4,-2.2 5,-2.4 3,-0.2 6,-0.2 0.959 111.3 49.7 -59.1 -54.4 52.2 15.7 43.1 132 132 A G H <5S+ 0 0 2 -4,-2.4 -22,-0.2 1,-0.2 -2,-0.2 0.870 121.1 30.9 -58.1 -39.1 49.2 13.7 44.2 133 133 A V H <5S+ 0 0 11 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.679 140.8 7.8 -97.1 -11.7 50.8 11.8 47.0 134 134 A A T X5S+ 0 0 10 -4,-1.7 4,-2.0 -5,-0.3 -3,-0.2 0.626 118.1 60.6-141.2 -39.5 53.5 14.2 48.2 135 135 A G H > S+ 0 0 24 -6,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.924 107.6 51.7 -62.7 -43.9 51.4 17.2 51.5 138 138 A G H X S+ 0 0 8 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.916 108.9 51.2 -54.9 -43.5 53.7 20.2 50.9 139 139 A E H >< S+ 0 0 17 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.928 109.3 48.3 -63.3 -44.0 50.7 22.3 50.0 140 140 A V H 3< S+ 0 0 1 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.872 113.2 48.9 -70.1 -29.1 48.8 21.5 53.2 141 141 A L H >X S+ 0 0 17 -4,-2.1 4,-1.6 1,-0.2 3,-1.2 0.688 88.0 90.9 -78.0 -18.5 52.0 22.2 55.3 142 142 A T H - 0 0 67 82,-0.1 4,-1.7 -2,-0.1 3,-0.3 -0.756 53.9 -87.2-126.5 179.6 52.3 33.4 48.3 151 151 A H H > S+ 0 0 147 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.825 128.9 57.3 -57.8 -32.5 52.1 31.3 45.2 152 152 A Q H > S+ 0 0 94 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.877 100.7 54.6 -65.4 -43.7 55.9 30.9 45.5 153 153 A T H > S+ 0 0 2 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.921 112.9 42.9 -55.3 -48.9 55.7 29.4 49.0 154 154 A Y H X S+ 0 0 54 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.889 112.3 53.8 -66.5 -40.9 53.3 26.8 47.8 155 155 A D H X S+ 0 0 50 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.918 111.9 44.1 -60.0 -44.6 55.3 26.2 44.6 156 156 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.926 115.5 47.6 -68.2 -44.1 58.5 25.6 46.7 157 157 A A H X S+ 0 0 6 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.893 112.9 49.1 -63.1 -40.1 56.7 23.4 49.2 158 158 A R H X S+ 0 0 63 -4,-2.7 4,-2.5 -20,-0.2 -2,-0.2 0.946 111.5 49.2 -64.5 -46.3 55.1 21.4 46.5 159 159 A R H X S+ 0 0 60 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.864 111.2 49.9 -60.1 -42.8 58.4 20.9 44.6 160 160 A L H X S+ 0 0 17 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.951 109.9 50.8 -61.4 -48.3 60.1 19.8 47.9 161 161 A G H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -26,-0.3 0.929 112.1 46.8 -55.1 -47.3 57.3 17.3 48.5 162 162 A E H X S+ 0 0 52 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.894 109.9 52.7 -64.8 -36.5 57.6 15.9 45.0 163 163 A S H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.922 109.3 50.8 -63.2 -47.3 61.4 15.6 45.3 164 164 A L H X S+ 0 0 27 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.863 107.9 52.1 -59.6 -40.2 61.0 13.7 48.5 165 165 A Q H X S+ 0 0 28 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.892 108.3 50.7 -63.6 -39.8 58.6 11.3 46.9 166 166 A L H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.904 110.0 50.2 -65.9 -38.1 61.1 10.6 44.1 167 167 A I H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.933 109.4 52.0 -61.5 -42.1 63.8 9.9 46.7 168 168 A N H X S+ 0 0 32 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.927 109.9 48.9 -58.6 -45.0 61.3 7.5 48.4 169 169 A I H < S+ 0 0 4 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.929 110.0 51.7 -61.2 -42.9 60.7 5.7 45.0 170 170 A L H < S+ 0 0 3 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.776 112.2 46.0 -67.4 -31.4 64.5 5.5 44.5 171 171 A R H < S+ 0 0 37 -4,-1.9 95,-0.4 -3,-0.2 3,-0.3 0.797 116.3 45.6 -71.7 -32.9 65.0 3.9 48.0 172 172 A D X + 0 0 9 -4,-1.7 4,-3.1 -5,-0.2 5,-0.3 0.131 66.8 119.9-109.1 17.1 62.1 1.5 47.6 173 173 A V H > S+ 0 0 16 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.910 83.8 42.6 -49.1 -50.4 62.5 -0.1 44.1 174 174 A G H > S+ 0 0 4 87,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.939 116.3 45.1 -63.7 -48.4 62.9 -3.6 45.4 175 175 A E H > S+ 0 0 73 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.880 113.5 51.3 -66.2 -38.9 60.1 -3.4 48.1 176 176 A D H <>S+ 0 0 28 -4,-3.1 5,-2.5 2,-0.2 -1,-0.2 0.916 107.4 53.1 -62.5 -42.2 57.7 -1.8 45.7 177 177 A F H ><5S+ 0 0 47 -4,-2.1 3,-2.1 -5,-0.3 -2,-0.2 0.923 105.7 53.6 -60.6 -42.0 58.4 -4.5 43.1 178 178 A E H 3<5S+ 0 0 103 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.876 107.9 52.1 -57.5 -34.7 57.5 -7.1 45.7 179 179 A N T 3<5S- 0 0 98 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.133 125.2-104.4 -91.2 19.8 54.3 -5.3 46.2 180 180 A E T < 5S+ 0 0 168 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.786 82.7 121.8 63.8 35.4 53.5 -5.3 42.5 181 181 A R < + 0 0 59 -5,-2.5 2,-0.4 -8,-0.1 -1,-0.2 -0.990 34.3 176.9-129.0 133.1 54.4 -1.7 41.9 182 182 A I - 0 0 32 -2,-0.4 -62,-0.4 1,-0.1 -9,-0.0 -0.997 3.5-176.6-129.4 129.1 57.0 -0.2 39.6 183 183 A Y + 0 0 25 -2,-0.4 -1,-0.1 -64,-0.1 3,-0.1 0.601 52.3 100.4-103.9 -18.8 57.1 3.6 39.5 184 184 A F S S- 0 0 3 1,-0.1 -64,-0.3 -15,-0.1 2,-0.1 -0.432 84.6-103.6 -61.9 144.2 59.7 4.2 36.8 185 185 A S > - 0 0 0 1,-0.1 4,-2.5 -66,-0.1 5,-0.2 -0.394 14.4-124.0 -74.3 152.6 57.9 5.1 33.6 186 186 A K H > S+ 0 0 90 -66,-2.9 4,-2.4 1,-0.2 5,-0.2 0.887 111.8 54.5 -57.4 -38.3 57.5 2.6 30.7 187 187 A Q H > S+ 0 0 76 -66,-1.9 4,-2.5 -67,-0.2 -1,-0.2 0.917 111.5 42.3 -64.0 -42.2 59.1 5.1 28.4 188 188 A R H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.878 113.0 52.6 -75.8 -36.8 62.2 5.5 30.5 189 189 A L H X>S+ 0 0 14 -4,-2.5 5,-2.5 2,-0.2 4,-0.7 0.916 112.8 45.8 -61.5 -43.4 62.5 1.8 31.2 190 190 A K H ><5S+ 0 0 175 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.934 112.6 50.5 -65.0 -45.2 62.3 1.1 27.5 191 191 A Q H 3<5S+ 0 0 97 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 116.9 39.7 -59.9 -41.3 64.9 3.9 26.7 192 192 A Y H 3<5S- 0 0 53 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.493 108.7-123.1 -90.0 -3.5 67.3 2.6 29.3 193 193 A E T <<5 + 0 0 141 -4,-0.7 2,-0.4 -3,-0.7 -3,-0.2 0.915 58.3 151.0 60.9 49.5 66.7 -1.1 28.5 194 194 A V < - 0 0 14 -5,-2.5 2,-0.5 -6,-0.1 -1,-0.2 -0.931 32.1-172.7-117.1 133.6 65.7 -2.0 32.1 195 195 A D > - 0 0 96 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.982 13.4-156.1-122.9 111.5 63.3 -4.7 33.2 196 196 A I H > S+ 0 0 4 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.893 93.1 53.0 -60.7 -40.1 62.8 -4.4 37.0 197 197 A A H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 110.4 49.2 -59.7 -39.8 61.8 -8.0 37.5 198 198 A E H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.917 112.7 46.4 -67.3 -40.8 65.0 -9.1 35.7 199 199 A V H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.897 108.1 56.5 -69.9 -37.6 67.1 -6.7 37.9 200 200 A Y H < S+ 0 0 43 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.901 115.7 38.8 -58.4 -38.2 65.3 -8.0 41.0 201 201 A Q H < S+ 0 0 140 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.902 129.5 26.5 -75.7 -43.8 66.4 -11.5 40.1 202 202 A N H < S- 0 0 121 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.545 104.1-112.8-108.3 -8.4 69.9 -10.9 38.7 203 203 A G < - 0 0 32 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.268 50.5 -38.8 100.4 173.8 71.2 -7.8 40.4 204 204 A V - 0 0 55 55,-0.3 2,-0.3 -2,-0.1 56,-0.0 -0.131 52.6-176.9 -65.9 162.4 72.1 -4.3 39.2 205 205 A N > - 0 0 58 1,-0.0 4,-2.5 0, 0.0 5,-0.2 -0.903 45.4 -92.1-145.9 176.3 73.7 -3.6 35.8 206 206 A N H > S+ 0 0 129 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.848 123.6 56.5 -64.8 -31.5 74.9 -0.5 34.2 207 207 A H H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 110.3 44.5 -61.6 -47.0 71.6 0.1 32.4 208 208 A Y H > S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.939 112.6 51.0 -64.0 -45.2 69.7 0.0 35.7 209 209 A I H X S+ 0 0 34 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.930 109.4 50.8 -60.0 -42.4 72.3 2.3 37.4 210 210 A D H X S+ 0 0 89 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.910 112.7 46.6 -64.2 -39.3 72.0 4.8 34.6 211 211 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.923 112.8 48.5 -64.1 -47.2 68.2 4.8 34.9 212 212 A W H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 3,-0.2 0.945 113.0 48.7 -57.6 -45.6 68.3 5.1 38.6 213 213 A E H X S+ 0 0 51 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.799 103.0 61.9 -68.0 -32.1 70.8 8.0 38.3 214 214 A Y H X S+ 0 0 69 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.940 111.9 37.8 -54.5 -50.4 68.6 9.7 35.7 215 215 A Y H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.2 -2,-0.2 0.863 112.4 57.6 -70.6 -37.6 65.9 10.1 38.2 216 216 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.891 103.3 54.8 -60.2 -38.4 68.3 10.8 41.1 217 217 A A H X S+ 0 0 52 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.868 107.1 50.6 -63.3 -37.1 69.6 13.8 39.1 218 218 A I H X S+ 0 0 39 -4,-1.1 4,-2.5 2,-0.2 5,-0.2 0.952 111.1 47.3 -63.0 -48.6 66.0 15.1 38.9 219 219 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.893 113.0 50.1 -60.7 -39.7 65.5 14.8 42.6 220 220 A E H X S+ 0 0 48 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.888 110.3 48.3 -67.2 -42.9 68.8 16.5 43.3 221 221 A K H X S+ 0 0 106 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.921 112.5 49.0 -63.3 -43.6 68.1 19.4 41.0 222 222 A D H X S+ 0 0 45 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.924 110.0 52.6 -63.6 -42.3 64.7 19.9 42.5 223 223 A F H X S+ 0 0 28 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.921 109.5 48.4 -55.2 -47.9 66.3 19.8 46.0 224 224 A R H X S+ 0 0 132 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.900 109.0 52.7 -64.4 -38.4 68.8 22.5 45.1 225 225 A D H X S+ 0 0 45 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.894 109.9 49.9 -64.9 -37.2 66.1 24.7 43.6 226 226 A V H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.935 109.3 49.9 -63.2 -46.8 64.2 24.4 46.9 227 227 A M H >< S+ 0 0 31 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.888 107.0 56.0 -59.9 -36.6 67.3 25.2 49.0 228 228 A D H 3< S+ 0 0 134 -4,-2.1 -1,-0.3 1,-0.3 3,-0.2 0.775 114.5 39.5 -65.2 -27.1 67.8 28.3 46.8 229 229 A Q T X< S+ 0 0 64 -4,-0.9 3,-2.0 -3,-0.9 -1,-0.3 0.078 76.7 121.6-108.8 22.2 64.3 29.5 47.6 230 230 A I G X + 0 0 14 -3,-1.3 3,-2.2 1,-0.3 -1,-0.1 0.742 56.9 79.4 -61.8 -23.2 64.3 28.5 51.3 231 231 A K G 3 S+ 0 0 175 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.567 72.4 79.1 -68.9 -4.8 63.5 32.1 52.3 232 232 A V G < S+ 0 0 29 -3,-2.0 -84,-0.3 -80,-0.1 -1,-0.3 0.734 86.7 75.2 -65.0 -21.5 59.9 31.6 51.4 233 233 A F S < S- 0 0 8 -3,-2.2 -87,-0.3 -4,-0.2 5,-0.1 -0.472 99.9 -86.1 -91.1 164.1 59.6 29.8 54.8 234 234 A S > - 0 0 4 -89,-2.8 4,-2.0 -2,-0.1 -1,-0.1 -0.269 40.9-110.3 -66.1 156.5 59.5 31.4 58.2 235 235 A I T 4 S+ 0 0 120 1,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.896 120.4 48.8 -54.0 -40.8 62.8 32.1 59.9 236 236 A E T > S+ 0 0 66 1,-0.2 4,-0.6 2,-0.1 -1,-0.2 0.892 113.4 45.9 -67.8 -38.0 62.1 29.3 62.4 237 237 A A H > S+ 0 0 0 1,-0.2 4,-3.0 -92,-0.2 5,-0.3 0.756 93.3 80.6 -79.0 -24.3 61.1 26.8 59.8 238 238 A Q H X S+ 0 0 28 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.921 97.1 38.6 -53.3 -53.6 64.0 27.4 57.4 239 239 A P H > S+ 0 0 33 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.851 116.3 53.9 -69.4 -27.6 66.7 25.4 59.1 240 240 A I H X S+ 0 0 13 -4,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.899 110.3 45.5 -68.9 -43.0 64.2 22.7 59.9 241 241 A I H X S+ 0 0 3 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.915 112.5 51.5 -67.5 -40.6 63.1 22.3 56.3 242 242 A E H X S+ 0 0 15 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.920 111.2 49.0 -60.5 -42.6 66.7 22.3 55.2 243 243 A L H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.950 111.6 47.5 -61.5 -50.1 67.4 19.5 57.8 244 244 A A H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.938 114.9 46.5 -55.8 -47.4 64.4 17.4 56.6 245 245 A A H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.904 114.8 46.1 -64.0 -42.0 65.4 17.8 53.0 246 246 A R H X S+ 0 0 65 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.874 110.9 51.8 -71.6 -37.6 69.0 17.0 53.6 247 247 A I H < S+ 0 0 0 -4,-2.9 4,-0.4 -5,-0.2 -1,-0.2 0.903 114.7 44.4 -61.5 -40.0 68.3 14.0 55.8 248 248 A Y H >< S+ 0 0 10 -4,-2.1 3,-1.8 -5,-0.3 4,-0.3 0.937 110.7 51.7 -75.3 -41.9 66.0 12.6 53.1 249 249 A I H >X S+ 0 0 14 -4,-2.8 3,-1.8 1,-0.3 4,-0.7 0.823 94.5 72.0 -69.6 -21.6 68.3 13.3 50.2 250 250 A E H 3X S+ 0 0 26 -4,-1.6 4,-1.9 1,-0.3 -1,-0.3 0.770 81.5 76.4 -58.8 -24.0 71.1 11.5 52.1 251 251 A I H <> S+ 0 0 4 -3,-1.8 4,-2.4 -4,-0.4 -1,-0.3 0.857 85.8 60.9 -53.4 -36.4 69.1 8.4 51.2 252 252 A L H <> S+ 0 0 1 -3,-1.8 4,-2.1 -4,-0.3 -1,-0.2 0.940 105.5 45.5 -61.8 -43.1 70.5 8.7 47.7 253 253 A D H X S+ 0 0 74 -4,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.878 110.0 55.4 -66.4 -35.4 74.0 8.3 48.8 254 254 A E H X S+ 0 0 31 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.885 107.1 50.1 -62.6 -39.2 73.0 5.4 51.1 255 255 A V H <>S+ 0 0 7 -4,-2.4 5,-2.8 2,-0.2 6,-0.4 0.946 111.5 48.1 -64.0 -44.7 71.5 3.6 48.1 256 256 A R H ><5S+ 0 0 54 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.913 109.1 53.0 -61.4 -43.6 74.7 4.1 46.1 257 257 A Q H 3<5S+ 0 0 126 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.787 108.3 51.3 -59.7 -32.8 76.8 2.9 49.0 258 258 A A T ><5S- 0 0 32 -4,-1.4 3,-1.0 -3,-0.4 -1,-0.3 0.116 121.1-110.1 -91.0 16.0 74.7 -0.3 49.1 259 259 A N T < 5 - 0 0 120 -3,-1.7 -55,-0.3 1,-0.2 -3,-0.2 0.827 64.1 -67.2 54.9 39.4 75.2 -0.8 45.4 260 260 A Y T 3 > - 0 0 116 -2,-0.7 4,-1.8 1,-0.1 3,-1.1 -0.175 19.5-108.1 -63.0 154.4 71.3 6.3 60.8 270 270 A K H 3> S+ 0 0 149 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 118.2 59.8 -45.7 -42.2 70.4 8.7 63.7 271 271 A R H 3> S+ 0 0 161 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.852 106.4 46.7 -60.9 -32.9 74.0 9.7 64.2 272 272 A K H <> S+ 0 0 47 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.841 107.8 56.2 -77.5 -34.4 74.2 10.9 60.6 273 273 A K H X S+ 0 0 20 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.919 108.5 48.8 -58.7 -40.9 71.0 12.9 61.0 274 274 A A H X S+ 0 0 31 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.886 106.9 55.2 -70.0 -36.9 72.6 14.6 64.0 275 275 A K H X S+ 0 0 112 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.923 109.0 47.6 -61.3 -44.2 75.7 15.4 61.9 276 276 A L H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.896 108.4 55.1 -62.9 -40.3 73.5 17.1 59.4 277 277 A F H X S+ 0 0 71 -4,-2.3 4,-3.3 1,-0.2 -2,-0.2 0.918 109.5 47.7 -56.9 -43.9 71.7 19.0 62.2 278 278 A H H X S+ 0 0 124 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.916 110.1 51.3 -64.7 -43.3 75.1 20.3 63.3 279 279 A E H X S+ 0 0 95 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.903 118.0 38.6 -63.1 -40.1 76.2 21.3 59.8 280 280 A I H >X S+ 0 0 10 -4,-2.4 4,-2.1 2,-0.2 3,-0.6 0.934 112.5 55.6 -73.2 -48.2 73.0 23.2 59.3 281 281 A N H 3< S+ 0 0 94 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.841 107.8 50.7 -52.6 -39.0 72.7 24.6 62.9 282 282 A S H 3< S+ 0 0 89 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.802 107.9 52.8 -71.9 -31.3 76.2 26.1 62.5 283 283 A K H << 0 0 132 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.877 360.0 360.0 -71.0 -39.8 75.3 27.8 59.2 284 284 A Y < 0 0 109 -4,-2.1 -1,-0.2 -45,-0.0 -2,-0.2 0.271 360.0 360.0 -82.5 360.0 72.2 29.5 60.7