==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-NOV-07 2ZCS . COMPND 2 MOLECULE: DEHYDROSQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.I.LIU,W.Y.JENG,A.H.WANG,E.OLDFIELD . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 75.4 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 . 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 . 32 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 59.2 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 2 3 0 0 0 2 0 1 1 1 1 0 0 1 1 1 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 0 156 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 123.7 47.7 16.7 80.0 2 2 A T > - 0 0 83 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.282 360.0-100.6 -81.7 178.0 44.3 17.9 78.6 3 3 A M H > S+ 0 0 152 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.925 124.8 53.1 -66.5 -40.2 42.2 15.7 76.2 4 4 A M H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 104.4 52.9 -62.9 -41.1 43.5 17.8 73.3 5 5 A D H > S+ 0 0 57 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.908 107.3 55.1 -59.9 -39.4 47.2 17.3 74.3 6 6 A M H X S+ 0 0 114 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.857 105.6 51.1 -60.6 -37.7 46.4 13.6 74.3 7 7 A N H X S+ 0 0 11 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.943 113.4 44.4 -63.8 -45.8 45.1 13.8 70.7 8 8 A F H X S+ 0 0 5 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.911 108.8 56.2 -67.0 -43.6 48.2 15.6 69.6 9 9 A K H X S+ 0 0 134 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.895 108.8 48.9 -55.6 -39.0 50.5 13.1 71.5 10 10 A Y H X S+ 0 0 32 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.912 109.2 51.3 -64.5 -45.7 48.8 10.3 69.5 11 11 A C H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.879 110.0 52.2 -58.7 -37.7 49.3 12.2 66.2 12 12 A H H X S+ 0 0 42 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.935 105.5 52.8 -64.4 -45.2 52.9 12.5 67.2 13 13 A K H X S+ 0 0 136 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.913 109.4 50.0 -57.2 -43.1 53.2 8.7 67.9 14 14 A I H X S+ 0 0 31 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.898 111.7 48.3 -65.3 -37.2 51.9 8.0 64.4 15 15 A M H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 8,-0.3 0.947 113.2 45.3 -67.3 -48.6 54.3 10.4 62.8 16 16 A K H < S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 112.2 52.6 -66.3 -31.8 57.4 9.1 64.6 17 17 A K H < S+ 0 0 170 -4,-2.0 3,-0.2 -5,-0.3 -1,-0.2 0.907 117.1 37.6 -72.0 -39.8 56.4 5.4 64.0 18 18 A H H < S+ 0 0 91 -4,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.890 129.9 20.1 -80.4 -37.6 56.0 6.0 60.2 19 19 A S X + 0 0 10 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 -0.804 49.2 178.0-141.5 102.7 58.9 8.4 59.6 20 20 A K H > S+ 0 0 102 -2,-0.3 4,-2.5 -3,-0.2 5,-0.1 0.824 87.7 54.6 -67.2 -32.1 61.9 8.9 61.9 21 21 A S H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.971 112.1 40.6 -68.7 -52.9 63.5 11.4 59.5 22 22 A F H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.930 117.0 49.8 -64.4 -40.4 60.5 13.7 59.3 23 23 A S H X S+ 0 0 2 -4,-2.5 4,-2.7 -8,-0.3 -1,-0.2 0.950 107.5 55.7 -59.3 -48.0 59.9 13.3 63.1 24 24 A Y H < S+ 0 0 57 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.908 117.2 34.1 -50.3 -47.4 63.5 14.1 63.8 25 25 A A H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.958 120.3 45.0 -76.0 -53.2 63.4 17.4 62.0 26 26 A F H >< S+ 0 0 20 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.756 98.6 69.2 -71.0 -24.1 59.9 18.6 62.6 27 27 A D T 3< S+ 0 0 31 -4,-2.7 -1,-0.3 -5,-0.4 -2,-0.1 0.673 90.9 67.7 -65.8 -8.3 59.9 17.8 66.3 28 28 A L T < S+ 0 0 73 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.531 78.7 104.1 -87.3 -3.7 62.4 20.7 66.5 29 29 A L S < S- 0 0 7 -3,-1.9 208,-0.1 1,-0.1 -3,-0.0 -0.223 90.3 -81.8 -70.6 164.4 59.8 23.3 65.6 30 30 A P >> - 0 0 56 0, 0.0 4,-2.6 0, 0.0 3,-0.6 -0.359 55.2 -97.8 -61.0 158.2 58.4 25.6 68.2 31 31 A E H 3> S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.815 118.9 46.1 -49.3 -47.5 55.6 23.9 70.2 32 32 A D H 3> S+ 0 0 129 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.869 115.4 46.5 -72.0 -31.0 52.5 25.2 68.4 33 33 A Q H <> S+ 0 0 45 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.925 112.4 48.7 -76.3 -41.8 54.0 24.7 64.9 34 34 A R H X S+ 0 0 67 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.881 108.6 54.1 -65.9 -36.3 55.1 21.1 65.5 35 35 A K H X S+ 0 0 31 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.944 109.4 48.9 -60.6 -46.3 51.7 20.1 67.1 36 36 A A H X S+ 0 0 7 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.897 111.4 50.0 -59.6 -41.6 50.0 21.4 63.9 37 37 A V H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.894 106.8 54.7 -64.8 -40.5 52.5 19.4 61.8 38 38 A W H X S+ 0 0 15 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.920 111.0 45.1 -57.0 -43.3 51.9 16.2 63.8 39 39 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.913 113.8 47.7 -69.3 -45.7 48.1 16.4 63.1 40 40 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.938 114.9 47.3 -60.6 -45.7 48.4 17.2 59.5 41 41 A Y H X S+ 0 0 28 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.911 109.6 51.2 -61.1 -47.9 50.9 14.4 59.1 42 42 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.896 109.7 51.9 -60.2 -39.1 48.9 11.8 61.0 43 43 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.941 110.5 47.4 -60.3 -49.3 45.8 12.7 58.8 44 44 A C H X S+ 0 0 6 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.930 111.9 51.4 -59.8 -42.3 47.9 12.1 55.7 45 45 A R H X S+ 0 0 28 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.879 108.0 50.9 -59.0 -42.6 49.2 8.8 57.1 46 46 A K H X S+ 0 0 51 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.862 111.1 49.8 -62.7 -40.6 45.7 7.6 57.9 47 47 A I H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.953 109.3 50.5 -66.7 -48.5 44.7 8.4 54.4 48 48 A D H 3< S+ 0 0 56 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.822 118.4 38.3 -57.6 -34.0 47.7 6.5 52.9 49 49 A D H >< S+ 0 0 88 -4,-1.7 3,-0.9 -5,-0.2 -1,-0.2 0.412 87.9 100.0 -99.8 1.7 46.9 3.4 55.0 50 50 A S G X< S+ 0 0 1 -3,-1.0 3,-1.5 -4,-0.7 4,-0.4 0.812 71.6 60.9 -58.0 -40.7 43.1 3.4 54.8 51 51 A I G 3> S+ 0 0 32 -4,-0.4 4,-0.7 1,-0.2 3,-0.3 0.765 98.6 58.4 -64.3 -24.2 42.5 0.8 52.1 52 52 A D G <4 S+ 0 0 150 -3,-0.9 -1,-0.2 3,-0.2 -2,-0.2 0.446 82.1 84.3 -88.0 5.1 44.2 -2.0 54.1 53 53 A V T <4 S- 0 0 80 -3,-1.5 -1,-0.2 3,-0.3 -2,-0.1 0.943 125.8 -13.5 -69.5 -48.8 41.8 -1.8 57.1 54 54 A Y T 4 S- 0 0 168 -4,-0.4 -2,-0.1 2,-0.3 -3,-0.1 0.542 99.9-101.9-121.7 -23.7 39.1 -4.0 55.6 55 55 A G S < S+ 0 0 51 -4,-0.7 2,-0.2 1,-0.4 -3,-0.2 0.647 92.4 100.2 100.4 31.9 40.5 -4.0 52.1 56 56 A D S S- 0 0 73 -6,-0.3 -1,-0.4 -5,-0.2 4,-0.3 -0.828 86.2-113.3-138.6 170.1 37.8 -1.4 51.1 57 57 A I S > S+ 0 0 41 -2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.384 88.8 104.8 -89.1 5.1 37.3 2.3 50.6 58 58 A Q H > S+ 0 0 86 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.944 82.3 38.8 -47.3 -67.4 35.0 2.2 53.7 59 59 A F H > S+ 0 0 27 -9,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.858 115.3 54.6 -56.1 -37.6 37.5 3.8 56.1 60 60 A L H > S+ 0 0 0 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.911 105.4 52.1 -66.0 -41.1 38.8 6.3 53.3 61 61 A N H X S+ 0 0 47 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.898 110.4 50.8 -61.3 -36.4 35.2 7.5 52.7 62 62 A Q H X S+ 0 0 59 -4,-1.7 4,-2.9 -5,-0.3 19,-0.3 0.927 107.9 49.6 -66.4 -45.8 34.9 8.2 56.4 63 63 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.940 111.9 50.9 -58.3 -44.3 38.1 10.1 56.7 64 64 A K H X S+ 0 0 46 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.902 109.8 47.8 -61.2 -42.4 37.0 12.2 53.7 65 65 A E H X S+ 0 0 84 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.920 110.5 54.5 -64.7 -40.3 33.6 12.9 55.3 66 66 A D H X S+ 0 0 2 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.931 109.7 45.0 -57.6 -50.1 35.4 13.9 58.5 67 67 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.876 111.4 53.4 -61.3 -40.4 37.6 16.4 56.7 68 68 A Q H X S+ 0 0 78 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.884 104.8 55.1 -62.9 -39.4 34.6 17.8 54.8 69 69 A S H X S+ 0 0 39 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.925 110.1 47.4 -59.0 -42.9 32.8 18.3 58.2 70 70 A I H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.882 112.1 48.0 -65.6 -41.9 35.7 20.4 59.4 71 71 A E H < S+ 0 0 92 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.910 118.2 41.0 -65.8 -43.5 36.0 22.5 56.3 72 72 A K H < S+ 0 0 139 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.910 134.5 15.7 -74.1 -41.6 32.3 23.2 56.3 73 73 A Y >< + 0 0 121 -4,-2.8 3,-1.6 -5,-0.2 -1,-0.2 -0.627 66.4 168.3-134.6 72.1 31.7 23.7 60.1 74 74 A P T 3 S+ 0 0 39 0, 0.0 21,-0.1 0, 0.0 -1,-0.1 0.767 80.8 44.6 -58.3 -26.7 35.1 24.3 61.7 75 75 A Y T 3 S+ 0 0 166 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.041 94.5 94.1-108.6 26.3 33.6 25.5 65.0 76 76 A E S < S- 0 0 118 -3,-1.6 2,-0.4 -7,-0.1 -3,-0.1 -0.862 80.8-109.2-112.7 153.0 30.8 22.8 65.4 77 77 A Y - 0 0 130 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.648 38.9-166.4 -81.6 133.8 31.2 19.7 67.3 78 78 A H - 0 0 20 -2,-0.4 2,-1.0 2,-0.0 -12,-0.0 -0.919 25.8-137.6-122.1 151.4 31.4 16.6 65.1 79 79 A H - 0 0 161 -2,-0.4 -2,-0.0 2,-0.0 2,-0.0 -0.870 38.3-142.4-103.9 89.7 31.0 12.9 65.9 80 80 A F - 0 0 25 -2,-1.0 4,-0.2 1,-0.1 -17,-0.1 -0.288 13.2-154.4 -61.9 139.7 33.9 11.8 63.6 81 81 A Q S S+ 0 0 84 -19,-0.3 -18,-0.2 2,-0.1 -1,-0.1 0.664 79.7 32.8 -87.8 -22.6 33.5 8.6 61.7 82 82 A S S S- 0 0 23 -20,-0.3 2,-0.9 1,-0.1 -22,-0.1 0.534 124.8 -10.8-103.2-108.9 37.2 7.7 61.3 83 83 A D > - 0 0 16 1,-0.2 4,-2.5 2,-0.1 3,-0.3 -0.797 57.5-169.5-100.9 100.8 39.9 8.4 63.8 84 84 A R H > S+ 0 0 102 -2,-0.9 4,-2.7 1,-0.2 5,-0.3 0.847 82.5 55.2 -54.5 -47.5 38.6 10.8 66.4 85 85 A R H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 113.7 42.2 -54.9 -44.1 41.9 11.7 68.1 86 86 A I H > S+ 0 0 0 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.910 115.2 48.4 -73.6 -41.6 43.3 12.8 64.8 87 87 A M H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.860 108.6 53.0 -69.9 -33.3 40.3 14.6 63.5 88 88 A M H X S+ 0 0 29 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.933 112.2 47.7 -63.9 -42.3 39.8 16.6 66.8 89 89 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.927 112.7 46.9 -65.8 -43.5 43.5 17.7 66.4 90 90 A L H X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 5,-0.2 0.947 111.9 50.6 -65.5 -40.3 43.1 18.7 62.8 91 91 A Q H X S+ 0 0 13 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.924 109.4 52.6 -61.3 -37.6 39.9 20.5 63.6 92 92 A H H >< S+ 0 0 57 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.943 111.9 44.2 -61.9 -48.2 41.8 22.3 66.4 93 93 A V H >X S+ 0 0 7 -4,-2.6 4,-2.9 1,-0.2 3,-2.0 0.927 109.1 58.6 -60.7 -43.5 44.5 23.3 63.9 94 94 A A H 3< S+ 0 0 16 -4,-3.5 -1,-0.2 1,-0.3 5,-0.2 0.750 98.9 58.7 -61.2 -23.4 41.9 24.4 61.3 95 95 A Q T << S+ 0 0 58 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.695 117.6 31.0 -79.4 -14.9 40.4 26.8 63.8 96 96 A H T <4 S+ 0 0 129 -3,-2.0 2,-0.3 -4,-0.5 -2,-0.2 0.679 121.5 40.8-112.0 -27.7 43.8 28.6 64.0 97 97 A K S < S- 0 0 104 -4,-2.9 2,-0.7 -5,-0.1 -1,-0.1 -0.847 83.0-105.7-125.4 159.2 45.3 28.2 60.6 98 98 A N - 0 0 99 -2,-0.3 2,-0.4 45,-0.1 46,-0.1 -0.734 37.7-160.8 -84.0 117.5 44.2 28.2 57.0 99 99 A I - 0 0 9 -2,-0.7 2,-1.7 -5,-0.2 3,-0.2 -0.845 18.1-134.8-103.2 135.7 44.1 24.6 55.7 100 100 A A >> + 0 0 24 -2,-0.4 3,-1.1 1,-0.2 4,-1.1 -0.617 28.1 178.3 -85.9 85.2 44.1 23.9 52.0 101 101 A F H >> S+ 0 0 26 -2,-1.7 4,-2.4 1,-0.3 3,-0.6 0.874 73.2 63.4 -56.0 -38.8 41.4 21.3 52.1 102 102 A Q H 3> S+ 0 0 114 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.833 98.4 58.2 -59.6 -29.2 41.5 20.7 48.3 103 103 A S H <> S+ 0 0 9 -3,-1.1 4,-1.8 2,-0.2 -1,-0.3 0.902 105.0 48.6 -68.2 -39.0 45.0 19.4 48.8 104 104 A F H < S+ 0 0 52 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.943 110.4 47.6 -55.9 -51.7 41.5 5.9 45.6 113 113 A K H >< S+ 0 0 140 -4,-1.8 3,-2.3 1,-0.3 -1,-0.2 0.792 97.4 70.0 -58.2 -33.9 43.1 5.6 42.1 114 114 A D G >< S+ 0 0 42 -4,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.675 84.0 71.4 -65.3 -12.4 45.9 3.6 43.5 115 115 A Q G < S+ 0 0 73 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.720 104.9 39.5 -72.0 -23.6 43.4 0.8 44.0 116 116 A H G < S+ 0 0 138 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 -0.206 93.0 176.5-116.5 39.4 43.4 0.3 40.2 117 117 A F < + 0 0 38 -3,-1.2 2,-0.3 3,-0.0 -3,-0.1 -0.108 11.1 171.9 -49.6 136.3 47.1 0.9 39.8 118 118 A T - 0 0 108 64,-0.0 3,-0.1 63,-0.0 -2,-0.1 -0.973 42.9 -90.2-144.7 139.9 48.7 0.6 36.3 119 119 A M - 0 0 55 -2,-0.3 2,-0.3 1,-0.1 64,-0.1 -0.126 46.5-100.5 -52.2 146.3 52.3 1.6 35.6 120 120 A F - 0 0 18 62,-0.4 66,-3.0 64,-0.2 67,-0.3 -0.537 23.2-156.6 -71.2 129.6 53.0 5.1 34.5 121 121 A E S S+ 0 0 99 -2,-0.3 66,-2.1 64,-0.2 2,-0.3 0.900 76.0 19.3 -75.3 -36.5 53.4 5.4 30.7 122 122 A T S >> S- 0 0 60 64,-0.2 4,-1.4 65,-0.1 3,-0.6 -0.816 78.3-110.3-133.3 165.1 55.5 8.6 31.1 123 123 A D H 3> S+ 0 0 9 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.844 115.7 65.0 -63.1 -29.7 57.5 10.6 33.5 124 124 A A H 3> S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.877 103.0 47.0 -61.4 -36.1 54.7 13.2 33.4 125 125 A E H <> S+ 0 0 82 -3,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.862 111.3 50.6 -73.2 -34.2 52.4 10.6 35.0 126 126 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.929 111.8 46.9 -66.0 -44.7 54.9 9.7 37.6 127 127 A F H X S+ 0 0 68 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.861 109.3 55.8 -65.9 -31.8 55.4 13.4 38.6 128 128 A G H X S+ 0 0 43 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.853 108.1 48.4 -65.9 -33.9 51.6 13.7 38.7 129 129 A Y H X S+ 0 0 33 -4,-1.4 4,-2.3 2,-0.2 5,-0.3 0.909 108.3 53.0 -71.2 -42.0 51.6 10.9 41.1 130 130 A C H X>S+ 0 0 2 -4,-2.2 5,-2.0 2,-0.2 4,-1.6 0.845 109.1 50.5 -61.0 -40.3 54.4 12.6 43.2 131 131 A Y H <>S+ 0 0 59 -4,-2.2 5,-2.4 3,-0.2 6,-0.3 0.970 111.2 50.1 -60.1 -51.2 52.2 15.7 43.3 132 132 A G H <5S+ 0 0 1 -4,-2.2 -22,-0.2 1,-0.2 -2,-0.2 0.856 119.3 31.4 -58.8 -40.4 49.3 13.7 44.4 133 133 A V H <5S+ 0 0 14 -4,-2.3 -1,-0.2 -23,-0.1 -2,-0.2 0.722 141.5 4.6 -95.8 -15.4 50.8 11.8 47.3 134 134 A A T X5S+ 0 0 11 -4,-1.6 4,-2.1 -5,-0.3 -3,-0.2 0.670 117.2 63.7-138.5 -36.7 53.3 14.3 48.5 135 135 A G H > S+ 0 0 27 -6,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.915 106.6 51.0 -68.5 -41.5 51.3 17.2 51.7 138 138 A G H X S+ 0 0 9 -4,-2.1 4,-1.2 1,-0.2 20,-0.2 0.898 109.1 54.6 -60.6 -35.5 53.7 20.1 51.2 139 139 A E H >< S+ 0 0 14 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.962 107.1 47.2 -61.7 -51.0 50.7 22.2 50.3 140 140 A V H 3< S+ 0 0 1 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.822 113.4 49.6 -62.8 -31.8 48.8 21.5 53.5 141 141 A L H >X S+ 0 0 20 -4,-1.8 4,-1.7 1,-0.2 3,-1.0 0.636 87.2 90.4 -79.6 -17.1 51.9 22.2 55.6 142 142 A T T << S+ 0 0 1 -4,-1.2 4,-0.5 -3,-0.8 3,-0.3 0.870 83.3 48.8 -49.7 -50.2 52.6 25.5 53.9 143 143 A P T 34 S+ 0 0 3 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.767 111.4 53.9 -65.3 -22.2 50.5 27.8 56.2 144 144 A I T <4 S+ 0 0 9 -3,-1.0 -2,-0.2 -4,-0.2 -3,-0.1 0.874 111.9 41.1 -77.7 -34.4 52.2 26.2 59.2 145 145 A L S < S+ 0 0 10 -4,-1.7 89,-2.3 -3,-0.3 2,-0.3 0.278 111.1 59.5-100.0 11.5 55.7 26.8 58.0 146 146 A S - 0 0 7 -4,-0.5 3,-0.3 -3,-0.3 87,-0.1 -0.998 62.4-143.5-146.1 149.7 55.4 30.3 56.7 147 147 A D S S+ 0 0 101 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.833 98.1 9.3 -74.1 -42.3 54.4 33.9 57.9 148 148 A H S S- 0 0 153 84,-0.3 -1,-0.3 2,-0.0 2,-0.1 -0.845 80.9-144.9-143.3 101.1 52.6 35.0 54.7 149 149 A E + 0 0 64 -2,-0.3 2,-0.3 -3,-0.3 84,-0.0 -0.435 22.1 175.0 -73.1 142.0 52.1 32.4 52.1 150 150 A T >> - 0 0 60 -2,-0.1 4,-1.7 82,-0.1 3,-0.5 -0.796 53.7 -89.9-129.1 177.8 52.3 33.4 48.5 151 151 A H H 3> S+ 0 0 127 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.836 128.9 59.3 -60.6 -28.7 52.1 31.3 45.4 152 152 A Q H 3> S+ 0 0 92 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.883 100.0 53.9 -65.6 -38.6 55.9 31.0 45.8 153 153 A T H <> S+ 0 0 2 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.895 112.8 43.3 -62.1 -45.7 55.6 29.4 49.2 154 154 A Y H X S+ 0 0 45 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.863 111.2 55.7 -66.6 -39.2 53.2 26.8 47.9 155 155 A D H X S+ 0 0 57 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.931 112.1 41.8 -57.4 -51.3 55.4 26.3 44.8 156 156 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.906 115.1 48.7 -63.2 -49.0 58.5 25.5 46.9 157 157 A A H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.862 113.4 49.3 -59.3 -40.6 56.7 23.3 49.5 158 158 A R H X S+ 0 0 66 -4,-2.3 4,-2.5 -20,-0.2 -2,-0.2 0.928 111.8 47.6 -64.6 -48.4 55.1 21.4 46.6 159 159 A R H X S+ 0 0 66 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.892 112.1 50.2 -62.8 -40.5 58.4 20.9 44.8 160 160 A L H X S+ 0 0 15 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.967 110.2 50.3 -63.0 -51.5 60.1 19.8 48.0 161 161 A G H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 -26,-0.2 0.899 111.0 48.4 -51.4 -42.7 57.3 17.3 48.7 162 162 A E H X S+ 0 0 46 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.878 110.3 51.3 -70.2 -35.6 57.6 15.9 45.2 163 163 A S H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.855 109.4 50.5 -63.4 -43.0 61.4 15.6 45.5 164 164 A L H X S+ 0 0 25 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.894 109.3 51.2 -65.5 -41.0 61.1 13.7 48.8 165 165 A Q H X S+ 0 0 37 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.918 109.1 50.5 -61.9 -44.3 58.6 11.3 47.2 166 166 A L H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.904 109.6 51.7 -58.7 -41.7 61.0 10.7 44.3 167 167 A I H X S+ 0 0 1 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.884 110.2 48.7 -61.5 -39.3 63.8 10.0 46.8 168 168 A N H X S+ 0 0 34 -4,-2.2 4,-2.2 2,-0.2 3,-0.4 0.906 109.5 51.9 -66.2 -45.8 61.4 7.5 48.6 169 169 A I H < S+ 0 0 3 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.902 110.6 49.4 -54.9 -43.4 60.6 5.8 45.3 170 170 A L H < S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.717 112.0 47.1 -68.2 -29.4 64.3 5.5 44.6 171 171 A R H < S+ 0 0 28 -4,-1.1 95,-0.4 -3,-0.4 3,-0.3 0.791 115.8 46.5 -82.1 -29.7 65.0 4.0 48.1 172 172 A D X + 0 0 6 -4,-2.2 4,-2.8 1,-0.2 5,-0.4 0.273 67.3 121.2-101.2 13.5 62.2 1.5 47.8 173 173 A V H > S+ 0 0 16 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.863 82.9 40.5 -42.6 -51.2 62.5 0.0 44.3 174 174 A G H > S+ 0 0 4 87,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.930 115.7 47.9 -68.5 -46.5 62.8 -3.6 45.6 175 175 A E H > S+ 0 0 77 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.911 112.9 49.7 -60.4 -43.9 60.2 -3.4 48.4 176 176 A D H <>S+ 0 0 25 -4,-2.8 5,-2.6 1,-0.2 3,-0.5 0.885 107.1 54.9 -63.1 -40.3 57.6 -1.8 46.0 177 177 A F H ><5S+ 0 0 49 -4,-1.9 3,-2.9 -5,-0.4 -2,-0.2 0.953 103.1 55.7 -57.9 -47.1 58.3 -4.5 43.4 178 178 A E H 3<5S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.776 108.0 50.2 -55.5 -27.0 57.4 -7.2 45.9 179 179 A N T 3<5S- 0 0 95 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.125 125.7-106.3 -99.6 20.8 54.1 -5.4 46.4 180 180 A E T < 5S+ 0 0 158 -3,-2.9 2,-0.4 1,-0.2 -3,-0.2 0.846 79.7 125.9 61.1 39.0 53.6 -5.4 42.7 181 181 A R < + 0 0 58 -5,-2.6 2,-0.4 -8,-0.1 -2,-0.2 -0.991 32.4 178.6-129.4 129.8 54.3 -1.7 42.2 182 182 A I - 0 0 33 -2,-0.4 -62,-0.4 1,-0.1 -9,-0.0 -0.999 2.5-178.1-127.5 129.7 56.9 -0.2 39.8 183 183 A Y + 0 0 25 -2,-0.4 -1,-0.1 -14,-0.1 2,-0.1 0.619 52.0 99.9-104.3 -16.9 57.0 3.7 39.7 184 184 A F S S- 0 0 4 -15,-0.1 -64,-0.2 1,-0.1 2,-0.1 -0.466 85.4-104.4 -65.4 145.5 59.6 4.3 37.1 185 185 A S > - 0 0 0 1,-0.1 4,-2.7 -66,-0.1 -64,-0.2 -0.410 13.0-127.0 -76.9 149.7 57.8 5.1 33.9 186 186 A K H > S+ 0 0 89 -66,-3.0 4,-2.4 1,-0.2 5,-0.3 0.898 112.0 57.6 -59.0 -38.6 57.5 2.6 31.0 187 187 A Q H > S+ 0 0 73 -66,-2.1 4,-2.4 -67,-0.3 -1,-0.2 0.959 112.3 38.8 -54.1 -53.8 58.9 5.3 28.7 188 188 A R H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.859 112.8 54.9 -69.1 -37.5 62.0 5.5 30.8 189 189 A L H <>S+ 0 0 15 -4,-2.7 5,-3.2 2,-0.2 -1,-0.2 0.897 113.0 44.5 -62.9 -39.3 62.4 1.8 31.5 190 190 A K H ><5S+ 0 0 181 -4,-2.4 3,-1.0 3,-0.2 -2,-0.2 0.920 111.3 52.5 -71.5 -45.4 62.3 1.1 27.8 191 191 A Q H 3<5S+ 0 0 96 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.935 117.8 36.7 -55.2 -51.3 64.7 3.9 26.9 192 192 A Y T 3<5S- 0 0 51 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.400 111.0-123.5 -82.0 0.4 67.3 2.6 29.4 193 193 A E T < 5 + 0 0 135 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.969 55.0 155.5 55.5 60.2 66.4 -1.0 28.6 194 194 A V < - 0 0 16 -5,-3.2 2,-0.5 13,-0.1 -1,-0.2 -0.939 31.3-169.6-121.9 138.7 65.5 -2.0 32.2 195 195 A D > - 0 0 88 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.931 10.5-158.5-125.7 107.3 63.3 -4.8 33.4 196 196 A I H > S+ 0 0 5 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.870 92.4 49.9 -54.5 -44.5 62.7 -4.4 37.2 197 197 A A H > S+ 0 0 42 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 111.0 51.5 -63.7 -33.8 61.7 -8.1 37.7 198 198 A E H > S+ 0 0 77 -3,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.934 113.8 43.9 -66.5 -42.6 64.9 -9.1 35.9 199 199 A V H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.848 108.5 56.1 -71.7 -35.2 67.0 -6.8 38.1 200 200 A Y H < S+ 0 0 45 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.876 116.9 39.1 -64.3 -31.1 65.3 -7.9 41.3 201 201 A Q H < S+ 0 0 149 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.892 128.4 26.7 -85.5 -40.7 66.2 -11.4 40.3 202 202 A N H < S- 0 0 115 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.417 106.4-108.7-106.7 0.4 69.7 -10.9 38.9 203 203 A G < - 0 0 32 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.178 47.9 -45.7 98.8 168.0 71.1 -7.9 40.5 204 204 A V + 0 0 52 55,-0.2 2,-0.3 -4,-0.1 56,-0.1 -0.040 53.2 178.1 -69.0 177.1 71.9 -4.4 39.4 205 205 A N > - 0 0 53 1,-0.0 4,-2.7 0, 0.0 5,-0.2 -0.939 46.7 -84.1-167.1 172.1 73.7 -3.6 36.2 206 206 A N H > S+ 0 0 127 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.834 123.5 54.0 -61.7 -32.7 74.8 -0.5 34.3 207 207 A H H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.993 112.7 43.3 -62.9 -56.7 71.5 0.0 32.6 208 208 A Y H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.915 113.4 51.3 -51.9 -51.8 69.6 -0.0 35.9 209 209 A I H X S+ 0 0 37 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.899 109.4 50.5 -54.9 -43.9 72.1 2.2 37.6 210 210 A D H X S+ 0 0 82 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.900 113.0 45.9 -62.0 -43.5 71.9 4.7 34.8 211 211 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 3,-0.2 0.902 112.6 49.7 -67.8 -41.3 68.2 4.8 35.0 212 212 A W H X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.936 112.9 48.2 -62.4 -41.9 68.2 5.1 38.8 213 213 A E H X S+ 0 0 52 -4,-2.8 4,-1.4 -5,-0.2 -1,-0.2 0.691 102.5 62.2 -72.7 -20.3 70.7 7.9 38.6 214 214 A Y H X S+ 0 0 69 -4,-1.1 4,-1.1 -3,-0.2 -1,-0.2 0.928 110.3 40.0 -68.6 -44.9 68.7 9.7 35.9 215 215 A Y H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.885 111.4 56.9 -70.9 -39.6 65.8 10.1 38.5 216 216 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -1,-0.2 0.845 103.9 54.0 -60.6 -34.6 68.2 10.9 41.4 217 217 A A H X S+ 0 0 55 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.860 107.2 51.2 -69.3 -34.8 69.6 13.8 39.4 218 218 A I H X S+ 0 0 39 -4,-1.1 4,-2.6 2,-0.2 5,-0.3 0.978 112.4 46.5 -63.6 -48.1 66.0 15.1 39.0 219 219 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.942 113.4 48.6 -59.1 -46.9 65.5 14.8 42.7 220 220 A E H X S+ 0 0 49 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.909 110.7 49.2 -63.1 -38.3 68.8 16.5 43.5 221 221 A K H X S+ 0 0 107 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.942 111.7 49.3 -66.8 -43.2 68.3 19.4 41.1 222 222 A D H X S+ 0 0 43 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.870 107.8 56.2 -62.4 -32.9 64.8 20.0 42.6 223 223 A F H X S+ 0 0 28 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.911 107.9 46.7 -63.8 -43.5 66.4 19.9 46.1 224 224 A R H X S+ 0 0 129 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.891 109.5 53.7 -66.8 -39.7 68.9 22.6 45.3 225 225 A D H X S+ 0 0 41 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.911 111.5 46.0 -65.2 -34.8 66.2 24.8 43.7 226 226 A V H >< S+ 0 0 0 -4,-1.9 3,-1.2 -5,-0.2 -1,-0.2 0.917 110.3 53.7 -70.4 -39.7 64.2 24.5 46.9 227 227 A M H >< S+ 0 0 29 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.909 104.7 54.7 -62.5 -37.5 67.2 25.2 49.0 228 228 A D H 3< S+ 0 0 132 -4,-2.7 -1,-0.3 1,-0.3 3,-0.2 0.668 113.1 43.3 -69.8 -14.4 67.8 28.4 47.0 229 229 A Q T X< S+ 0 0 73 -3,-1.2 3,-1.9 -4,-0.6 -1,-0.3 0.139 73.2 122.9-116.9 25.7 64.3 29.5 47.9 230 230 A I G X + 0 0 15 -3,-1.4 3,-1.4 1,-0.3 -1,-0.1 0.660 60.0 75.8 -57.6 -20.7 64.3 28.4 51.6 231 231 A K G 3 S+ 0 0 175 1,-0.3 -1,-0.3 -3,-0.2 7,-0.1 0.605 70.8 78.9 -73.8 -11.7 63.5 32.0 52.6 232 232 A V G < S+ 0 0 40 -3,-1.9 -84,-0.3 -80,-0.1 -1,-0.3 0.750 88.4 78.8 -65.3 -20.2 59.8 31.8 51.6 233 233 A F S < S- 0 0 4 -3,-1.4 -87,-0.3 -4,-0.2 5,-0.1 -0.509 98.5 -89.2 -89.5 158.6 59.5 29.9 54.8 234 234 A S > - 0 0 3 -89,-2.3 4,-2.0 -2,-0.2 3,-0.4 -0.162 41.1-108.9 -61.7 158.7 59.4 31.5 58.3 235 235 A I T 4 S+ 0 0 110 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.886 116.7 48.0 -58.3 -44.1 62.6 32.0 60.1 236 236 A E T 4 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.786 114.3 48.0 -69.3 -26.2 62.2 29.3 62.7 237 237 A A T > S+ 0 0 0 -3,-0.4 4,-3.0 -92,-0.2 3,-0.4 0.779 91.6 78.5 -85.4 -28.8 61.2 26.8 60.0 238 238 A Q H X S+ 0 0 14 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.925 97.7 41.5 -46.3 -59.0 63.9 27.4 57.5 239 239 A P H > S+ 0 0 19 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.805 115.9 52.2 -61.4 -28.6 66.7 25.4 59.3 240 240 A I H > S+ 0 0 16 -4,-0.4 4,-2.6 -3,-0.4 -2,-0.2 0.907 110.6 46.0 -71.9 -45.4 64.1 22.6 60.2 241 241 A I H X S+ 0 0 3 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.848 111.6 53.3 -66.6 -35.5 63.0 22.3 56.6 242 242 A E H X S+ 0 0 22 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.928 110.7 46.3 -65.8 -41.8 66.7 22.3 55.5 243 243 A L H X S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.942 111.6 51.6 -64.3 -45.7 67.4 19.5 57.9 244 244 A A H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.955 114.0 44.0 -54.8 -52.1 64.3 17.6 56.7 245 245 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.871 115.9 46.4 -62.7 -38.8 65.5 17.9 53.1 246 246 A R H X S+ 0 0 52 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.925 110.5 51.9 -71.0 -44.4 69.1 17.0 53.9 247 247 A I H < S+ 0 0 0 -4,-3.3 4,-0.4 -5,-0.2 -2,-0.2 0.903 115.4 43.8 -57.7 -38.4 68.3 14.0 56.0 248 248 A Y H >< S+ 0 0 14 -4,-1.9 3,-0.9 -5,-0.3 4,-0.3 0.858 110.7 52.7 -76.9 -35.2 66.1 12.8 53.1 249 249 A I H >X S+ 0 0 19 -4,-2.2 3,-2.8 1,-0.2 4,-0.6 0.909 97.5 66.8 -66.1 -41.1 68.6 13.6 50.4 250 250 A E H 3X S+ 0 0 24 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.718 83.3 76.4 -52.0 -24.0 71.3 11.6 52.3 251 251 A I H <> S+ 0 0 3 -3,-0.9 4,-2.3 -4,-0.4 -1,-0.3 0.834 87.4 60.6 -58.7 -30.6 69.1 8.6 51.5 252 252 A L H <> S+ 0 0 2 -3,-2.8 4,-2.1 -4,-0.3 -1,-0.2 0.953 104.8 45.2 -64.3 -49.2 70.5 8.8 48.0 253 253 A D H X S+ 0 0 70 -4,-0.6 4,-2.9 1,-0.2 -1,-0.2 0.908 110.6 56.0 -60.3 -41.2 74.1 8.3 49.1 254 254 A E H X S+ 0 0 27 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.920 106.3 49.6 -56.4 -45.0 72.9 5.5 51.4 255 255 A V H ><>S+ 0 0 6 -4,-2.3 5,-2.4 2,-0.2 3,-0.9 0.931 112.1 48.2 -59.7 -46.8 71.4 3.6 48.4 256 256 A R H ><5S+ 0 0 52 -4,-2.1 3,-3.2 1,-0.3 -2,-0.2 0.951 107.3 54.5 -57.5 -54.9 74.6 4.0 46.3 257 257 A Q H 3<5S+ 0 0 128 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.688 108.2 50.9 -55.9 -17.9 76.8 2.8 49.2 258 258 A A T X<5S- 0 0 26 -3,-0.9 3,-0.8 -4,-0.8 -1,-0.3 0.185 122.0-110.0-103.5 15.1 74.6 -0.4 49.3 259 259 A N T < 5 - 0 0 118 -3,-3.2 -55,-0.2 1,-0.2 -3,-0.2 0.841 61.3 -67.1 60.5 37.6 75.0 -0.8 45.6 260 260 A Y T 3 > - 0 0 107 -2,-0.8 4,-1.6 1,-0.1 3,-0.5 -0.130 18.0-114.9 -45.7 151.2 71.5 6.3 60.8 270 270 A K H 3> S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.859 117.0 59.8 -59.6 -32.7 70.3 8.5 63.7 271 271 A R H 3> S+ 0 0 162 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 103.5 50.2 -62.9 -39.3 73.9 9.6 64.3 272 272 A K H <> S+ 0 0 52 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.838 104.8 58.4 -67.4 -32.4 74.2 11.0 60.8 273 273 A K H X S+ 0 0 18 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.908 106.1 48.4 -64.4 -39.0 71.0 12.9 61.3 274 274 A A H X S+ 0 0 35 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.900 108.3 54.7 -68.9 -36.1 72.6 14.6 64.3 275 275 A K H X S+ 0 0 122 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.946 109.1 47.1 -60.3 -48.0 75.7 15.4 62.2 276 276 A L H X S+ 0 0 7 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.888 110.3 53.6 -62.1 -35.9 73.5 17.1 59.5 277 277 A F H X S+ 0 0 58 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.894 107.0 51.5 -65.1 -37.9 71.7 19.0 62.2 278 278 A H H X S+ 0 0 143 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.972 111.3 48.0 -61.1 -50.9 75.1 20.2 63.5 279 279 A E H >X S+ 0 0 95 -4,-2.5 4,-0.6 1,-0.2 3,-0.5 0.926 116.7 41.4 -54.0 -53.6 76.1 21.4 60.0 280 280 A I H >X S+ 0 0 5 -4,-2.8 3,-1.9 1,-0.2 4,-1.0 0.952 110.7 54.5 -63.1 -50.1 72.8 23.2 59.4 281 281 A N H 3< S+ 0 0 94 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.719 99.5 67.7 -58.3 -18.4 72.5 24.7 62.9 282 282 A S H << S+ 0 0 88 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.793 103.3 40.8 -72.9 -30.1 76.0 26.1 62.3 283 283 A K H << 0 0 133 -3,-1.9 -1,-0.2 -4,-0.6 -2,-0.2 0.569 360.0 360.0 -94.5 -9.0 74.8 28.5 59.6 284 284 A Y < 0 0 105 -4,-1.0 -2,-0.2 -45,-0.0 -3,-0.2 0.757 360.0 360.0-109.7 360.0 71.7 29.4 61.4