==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-JAN-10 3ADZ . 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) . 14353.0 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 . 26 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 61.3 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 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 0 175 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 129.6 9.1 50.0 65.1 2 2 A T > - 0 0 78 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.329 360.0-101.2 -82.5 173.8 6.6 47.6 63.5 3 3 A M H > S+ 0 0 145 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.937 125.6 50.1 -59.2 -47.8 7.4 44.7 61.2 4 4 A M H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.853 106.4 55.4 -61.0 -37.1 6.3 46.8 58.2 5 5 A D H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 106.8 51.1 -58.0 -42.0 8.5 49.6 59.5 6 6 A M H X S+ 0 0 101 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.867 107.8 53.4 -62.9 -42.2 11.4 47.1 59.4 7 7 A N H X S+ 0 0 11 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.917 111.8 43.4 -58.0 -45.0 10.5 46.2 55.8 8 8 A F H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.880 109.6 57.1 -73.0 -34.5 10.7 49.8 54.7 9 9 A K H X S+ 0 0 141 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.888 106.7 50.2 -61.0 -39.9 13.9 50.4 56.7 10 10 A Y H X S+ 0 0 31 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.905 109.4 49.9 -64.8 -41.6 15.5 47.6 54.7 11 11 A C H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.896 109.8 52.6 -61.8 -39.8 14.3 49.1 51.4 12 12 A H H X S+ 0 0 31 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.906 105.8 53.8 -60.3 -45.4 15.8 52.4 52.6 13 13 A K H X S+ 0 0 112 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.923 109.0 48.9 -53.7 -48.9 19.2 50.7 53.3 14 14 A I H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.928 112.6 47.0 -57.9 -49.6 19.3 49.3 49.8 15 15 A M H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 8,-0.3 0.932 113.4 47.2 -64.1 -45.9 18.5 52.6 48.2 16 16 A K H < S+ 0 0 96 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.863 115.9 47.0 -59.6 -38.5 21.1 54.6 50.4 17 17 A K H < S+ 0 0 107 -4,-2.4 3,-0.2 -5,-0.2 -2,-0.2 0.910 124.6 27.5 -67.3 -45.1 23.7 51.9 49.6 18 18 A H H < S+ 0 0 86 -4,-2.5 2,-0.2 1,-0.2 -2,-0.2 0.624 122.6 42.9-101.8 -17.2 23.2 51.7 45.9 19 19 A S X + 0 0 14 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 -0.633 53.4 168.8-137.5 76.1 21.9 55.1 44.8 20 20 A K H > S+ 0 0 132 -2,-0.2 4,-1.7 -3,-0.2 -1,-0.1 0.850 81.1 45.5 -59.9 -37.7 23.6 58.0 46.4 21 21 A S H > S+ 0 0 16 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.961 117.6 40.7 -70.8 -52.4 22.1 60.7 44.1 22 22 A F H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.883 113.6 54.3 -71.1 -33.7 18.5 59.4 44.3 23 23 A S H X S+ 0 0 9 -4,-2.8 4,-2.1 -8,-0.3 -1,-0.2 0.943 105.1 54.4 -59.7 -49.1 18.7 58.7 48.0 24 24 A Y H < S+ 0 0 60 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.914 118.5 34.2 -50.9 -50.1 19.9 62.2 48.8 25 25 A A H >< S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.1 4,-0.2 0.965 117.6 46.8 -72.6 -56.8 16.9 63.7 47.0 26 26 A F H >< S+ 0 0 21 -4,-2.8 3,-2.0 1,-0.3 -3,-0.2 0.804 98.5 69.9 -68.7 -23.6 14.0 61.4 47.5 27 27 A D T 3< S+ 0 0 30 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.1 0.670 89.6 66.6 -62.7 -15.8 14.7 61.1 51.3 28 28 A L T < S+ 0 0 77 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.554 80.3 104.7 -81.7 -8.3 13.5 64.7 51.5 29 29 A L S < S- 0 0 7 -3,-2.0 208,-0.1 -4,-0.2 5,-0.0 -0.290 89.0 -84.9 -62.1 155.0 9.9 63.6 50.5 30 30 A P >> - 0 0 56 0, 0.0 4,-2.7 0, 0.0 3,-0.7 -0.292 52.9 -98.7 -56.3 153.0 7.2 63.5 53.1 31 31 A E H 3> S+ 0 0 99 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.794 118.8 48.1 -48.3 -51.8 7.2 60.2 55.0 32 32 A D H 3> S+ 0 0 130 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.863 117.3 44.0 -65.1 -35.2 4.4 58.3 53.1 33 33 A Q H <> S+ 0 0 37 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.912 112.9 48.5 -75.8 -41.7 5.9 59.2 49.8 34 34 A R H X S+ 0 0 61 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.916 109.4 54.5 -66.5 -36.6 9.5 58.5 50.6 35 35 A K H X S+ 0 0 33 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.905 108.2 48.9 -59.5 -44.3 8.6 55.2 52.0 36 36 A A H X S+ 0 0 7 -4,-1.3 4,-2.4 -5,-0.2 -1,-0.2 0.908 110.1 51.9 -61.7 -40.5 6.8 54.3 48.7 37 37 A V H X S+ 0 0 4 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.931 107.5 52.4 -61.0 -45.1 9.9 55.4 46.7 38 38 A W H X S+ 0 0 12 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.913 111.1 47.0 -56.3 -45.5 12.2 53.2 48.9 39 39 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.927 113.8 46.4 -65.4 -46.0 10.0 50.1 48.2 40 40 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.922 113.7 51.1 -60.6 -44.6 9.8 50.8 44.5 41 41 A Y H X S+ 0 0 34 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.933 109.1 48.6 -54.0 -53.8 13.5 51.4 44.4 42 42 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.888 111.4 50.5 -62.7 -39.4 14.4 48.1 46.2 43 43 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.943 112.1 46.7 -58.8 -49.6 12.1 46.1 43.9 44 44 A C H X S+ 0 0 16 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.882 111.6 52.0 -62.2 -38.1 13.7 47.6 40.8 45 45 A R H X S+ 0 0 54 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.897 108.4 49.7 -65.3 -42.4 17.2 47.0 42.2 46 46 A K H X S+ 0 0 56 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.887 112.3 49.2 -64.2 -40.6 16.5 43.4 42.9 47 47 A I H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 4,-0.3 0.950 111.6 48.4 -61.4 -49.7 15.2 43.0 39.3 48 48 A D H 3< S+ 0 0 76 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.830 119.8 38.0 -60.7 -31.2 18.3 44.7 37.9 49 49 A D H >< S+ 0 0 65 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.483 88.1 99.4 -99.6 -5.5 20.7 42.5 40.0 50 50 A S G X< S+ 0 0 1 -4,-0.9 3,-1.1 -3,-0.8 4,-0.5 0.733 70.5 61.6 -59.2 -34.8 18.8 39.2 39.8 51 51 A I G 3> S+ 0 0 32 -4,-0.3 4,-1.7 -3,-0.3 3,-0.5 0.899 99.1 56.6 -66.5 -37.8 20.8 37.4 37.0 52 52 A D G <4 S+ 0 0 148 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.512 86.7 81.8 -72.9 -2.0 24.1 37.4 38.9 53 53 A V T <4 S- 0 0 81 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.968 122.9 -8.4 -68.2 -53.0 22.6 35.6 41.9 54 54 A Y T 4 S- 0 0 160 -4,-0.5 -2,-0.2 -3,-0.5 -1,-0.1 0.566 103.2-101.3-109.9 -23.1 22.9 32.1 40.5 55 55 A G S < S+ 0 0 55 -4,-1.7 2,-0.2 1,-0.4 -3,-0.2 0.376 93.3 58.3 111.8 -1.6 23.9 33.0 37.0 56 56 A D S S- 0 0 62 -6,-0.2 -1,-0.4 -5,-0.2 3,-0.4 -0.734 99.2 -73.2-146.4-166.4 20.4 32.5 35.4 57 57 A I S > S+ 0 0 54 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.352 89.7 102.6 -83.1 6.1 16.8 33.5 35.4 58 58 A Q H > S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.933 84.5 39.1 -57.6 -58.1 15.7 31.8 38.6 59 59 A F H > S+ 0 0 28 -3,-0.4 4,-2.0 -9,-0.4 -1,-0.2 0.863 115.2 55.9 -66.9 -33.0 15.6 34.7 41.0 60 60 A L H > S+ 0 0 0 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.899 106.0 48.7 -63.9 -42.8 14.1 36.9 38.3 61 61 A N H X S+ 0 0 43 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.863 109.9 53.8 -66.0 -36.1 11.2 34.6 37.7 62 62 A Q H X S+ 0 0 60 -4,-1.8 4,-2.3 -5,-0.2 19,-0.4 0.887 109.6 47.1 -62.2 -41.9 10.5 34.5 41.4 63 63 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.950 112.0 50.3 -63.8 -48.9 10.4 38.3 41.6 64 64 A K H X S+ 0 0 56 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.901 111.7 48.0 -56.4 -45.3 8.1 38.4 38.6 65 65 A E H X S+ 0 0 85 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.893 110.1 52.3 -64.8 -41.4 5.8 35.8 40.2 66 66 A D H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.945 111.1 47.1 -57.1 -47.4 5.8 37.8 43.5 67 67 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.905 110.1 53.2 -62.2 -41.7 4.8 40.9 41.7 68 68 A Q H X S+ 0 0 86 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.872 106.4 52.9 -61.0 -40.4 2.1 39.0 39.8 69 69 A S H X S+ 0 0 40 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.925 109.9 48.4 -56.8 -47.5 0.7 37.7 43.1 70 70 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.931 112.4 48.7 -60.6 -48.2 0.5 41.3 44.4 71 71 A E H < S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.928 118.5 38.2 -58.8 -48.2 -1.2 42.5 41.3 72 72 A K H < S+ 0 0 144 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.889 134.1 20.8 -71.8 -39.3 -3.8 39.8 41.2 73 73 A Y >< + 0 0 117 -4,-2.9 3,-1.5 -5,-0.2 -1,-0.2 -0.638 65.7 166.7-136.2 72.5 -4.4 39.6 45.0 74 74 A P T 3 S+ 0 0 38 0, 0.0 21,-0.1 0, 0.0 -1,-0.1 0.718 79.4 43.8 -65.9 -23.4 -3.3 42.8 46.7 75 75 A Y T 3 S+ 0 0 163 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.164 94.5 93.5-110.0 14.8 -5.1 42.1 50.0 76 76 A E S < S- 0 0 122 -3,-1.5 2,-0.4 -7,-0.2 -3,-0.1 -0.803 81.2-105.1-107.5 152.5 -4.1 38.4 50.5 77 77 A Y - 0 0 134 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.631 39.9-162.7 -72.7 125.2 -1.2 37.0 52.4 78 78 A H - 0 0 23 -2,-0.4 2,-1.3 -12,-0.0 -12,-0.0 -0.906 23.9-139.5-111.7 140.4 1.5 35.7 50.0 79 79 A H - 0 0 161 -2,-0.4 -2,-0.0 2,-0.0 5,-0.0 -0.747 38.0-144.3 -88.3 85.9 4.5 33.4 50.7 80 80 A F - 0 0 25 -2,-1.3 4,-0.2 1,-0.1 -17,-0.1 -0.233 15.4-157.8 -62.0 141.0 6.9 35.4 48.6 81 81 A Q S S+ 0 0 88 -19,-0.4 -18,-0.2 2,-0.1 -1,-0.1 0.655 78.8 37.3 -90.6 -24.0 9.5 33.5 46.7 82 82 A S S S- 0 0 22 -20,-0.4 2,-0.8 1,-0.1 -19,-0.1 0.591 125.1 -16.5 -99.4-111.8 12.1 36.2 46.3 83 83 A D > - 0 0 16 1,-0.2 4,-2.3 2,-0.0 3,-0.2 -0.859 57.7-165.2-104.6 105.6 12.9 38.9 48.9 84 84 A R H > S+ 0 0 99 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.837 83.6 54.2 -60.3 -41.8 10.1 38.9 51.4 85 85 A R H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 112.8 43.4 -60.0 -44.4 10.9 42.3 53.1 86 86 A I H > S+ 0 0 1 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.919 114.8 49.2 -68.7 -42.8 10.9 44.1 49.8 87 87 A M H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.858 107.6 53.4 -69.6 -35.8 7.7 42.4 48.5 88 88 A M H X S+ 0 0 29 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.909 111.4 47.9 -60.3 -44.5 5.8 43.0 51.7 89 89 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.923 110.9 49.4 -62.1 -46.4 6.6 46.7 51.4 90 90 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.921 110.7 51.4 -58.4 -44.7 5.6 46.8 47.7 91 91 A Q H X S+ 0 0 13 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.898 107.2 52.4 -60.6 -40.6 2.3 45.1 48.6 92 92 A H H < S+ 0 0 60 -4,-2.0 4,-0.5 1,-0.2 3,-0.4 0.942 111.5 47.2 -60.3 -47.2 1.7 47.7 51.3 93 93 A V H >X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 3,-1.8 0.922 108.3 55.0 -55.2 -49.1 2.2 50.5 48.7 94 94 A A H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.747 99.8 61.3 -58.9 -28.4 -0.0 48.8 46.2 95 95 A Q T 3< S+ 0 0 54 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.694 117.5 29.9 -69.7 -17.7 -2.8 48.7 48.8 96 96 A H T <4 S+ 0 0 126 -3,-1.8 2,-0.3 -4,-0.5 -2,-0.2 0.639 120.2 42.7-116.6 -23.6 -2.7 52.5 48.8 97 97 A K S < S- 0 0 89 -4,-2.2 2,-0.4 0, 0.0 -1,-0.2 -0.941 82.0-103.6-131.4 150.5 -1.6 53.6 45.4 98 98 A N - 0 0 107 -2,-0.3 2,-0.5 -3,-0.1 46,-0.1 -0.573 40.9-163.1 -64.7 116.7 -2.2 52.8 41.7 99 99 A I - 0 0 7 -2,-0.4 2,-1.6 -5,-0.2 3,-0.2 -0.961 19.0-134.7-105.7 129.0 0.9 50.8 40.7 100 100 A A >> - 0 0 24 -2,-0.5 4,-1.1 1,-0.2 3,-1.1 -0.646 27.9-179.7 -79.4 86.8 1.5 50.4 37.0 101 101 A F H 3> S+ 0 0 30 -2,-1.6 4,-2.0 1,-0.3 3,-0.3 0.867 75.3 61.0 -60.4 -38.5 2.3 46.7 37.1 102 102 A Q H 3> S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.814 98.2 60.1 -58.5 -28.1 2.9 46.4 33.3 103 103 A S H <> S+ 0 0 10 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.924 104.8 47.7 -69.3 -39.4 5.7 48.9 33.8 104 104 A F H X S+ 0 0 1 -4,-1.1 4,-2.4 -3,-0.3 -2,-0.2 0.893 111.5 51.1 -60.3 -40.9 7.4 46.5 36.2 105 105 A Y H X S+ 0 0 23 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.899 107.4 53.0 -66.3 -36.7 6.9 43.7 33.7 106 106 A N H X S+ 0 0 41 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.908 110.1 47.9 -61.6 -42.9 8.4 45.9 30.9 107 107 A L H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.908 111.9 49.7 -64.7 -43.3 11.5 46.4 33.1 108 108 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.922 110.0 50.2 -61.0 -43.6 11.7 42.6 33.9 109 109 A D H X S+ 0 0 61 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.870 108.1 54.5 -61.1 -38.1 11.5 41.8 30.2 110 110 A T H X S+ 0 0 35 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.940 109.2 47.0 -62.9 -45.6 14.2 44.3 29.5 111 111 A V H X S+ 0 0 15 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.921 110.8 52.0 -63.8 -41.7 16.5 42.5 32.1 112 112 A Y H >< S+ 0 0 41 -4,-2.8 3,-1.2 1,-0.2 4,-0.2 0.924 110.8 48.3 -53.7 -48.7 15.7 39.1 30.5 113 113 A K H >< S+ 0 0 136 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.735 94.6 73.3 -68.9 -24.6 16.6 40.4 27.1 114 114 A D H >< S+ 0 0 62 -4,-1.4 3,-1.5 -3,-0.3 -1,-0.3 0.752 83.1 70.7 -65.9 -22.0 19.8 41.9 28.3 115 115 A Q T << S+ 0 0 80 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.768 105.3 39.5 -56.9 -31.7 21.1 38.3 28.5 116 116 A H T < S+ 0 0 139 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.012 89.1 167.3-108.1 26.4 21.1 38.3 24.7 117 117 A F < + 0 0 41 -3,-1.5 2,-0.3 1,-0.0 -3,-0.1 -0.169 9.6 175.0 -55.6 122.4 22.4 41.9 24.3 118 118 A T - 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0 0 34 -2,-0.4 -62,-0.4 -3,-0.1 -9,-0.0 -0.994 2.5-178.3-126.9 124.5 28.5 49.4 24.4 183 183 A Y + 0 0 46 -2,-0.4 -1,-0.1 -14,-0.1 3,-0.1 0.665 51.4 100.5-103.0 -18.3 25.3 51.4 24.4 184 184 A F S S- 0 0 4 1,-0.1 -64,-0.3 -15,-0.1 2,-0.1 -0.394 85.5-103.4 -58.3 143.0 26.1 54.1 21.7 185 185 A S > - 0 0 0 1,-0.1 4,-2.6 -66,-0.1 -64,-0.2 -0.424 15.4-123.4 -75.7 150.9 24.3 53.0 18.5 186 186 A K H > S+ 0 0 93 -66,-3.2 4,-2.3 1,-0.2 5,-0.2 0.885 112.3 55.6 -56.6 -40.1 26.2 51.4 15.6 187 187 A Q H > S+ 0 0 74 -66,-1.9 4,-2.1 -67,-0.2 -1,-0.2 0.925 111.3 41.2 -58.7 -48.6 24.9 54.1 13.3 188 188 A R H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.900 113.2 53.1 -71.7 -41.5 26.2 57.0 15.5 189 189 A L H X>S+ 0 0 15 -4,-2.6 5,-2.3 1,-0.2 4,-0.5 0.906 112.4 46.0 -56.7 -44.0 29.6 55.3 16.2 190 190 A K H ><5S+ 0 0 178 -4,-2.3 3,-0.5 -5,-0.2 -2,-0.2 0.895 112.7 50.3 -67.7 -40.8 30.1 54.9 12.4 191 191 A Q H 3<5S+ 0 0 95 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.907 117.1 39.3 -64.5 -41.5 29.0 58.4 11.7 192 192 A Y H 3<5S- 0 0 51 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.431 107.8-123.6 -89.2 -0.3 31.4 59.9 14.3 193 193 A E T <<5 + 0 0 143 -4,-0.5 2,-0.4 -3,-0.5 -3,-0.2 0.943 57.1 152.7 55.4 53.4 34.2 57.5 13.5 194 194 A V < - 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0 0 51 1,-0.0 4,-2.4 0, 0.0 5,-0.2 -0.896 43.1 -91.6-144.9 178.7 39.9 62.2 21.0 206 206 A N H > S+ 0 0 125 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.867 123.1 55.4 -66.3 -33.5 37.8 64.8 19.3 207 207 A H H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.937 111.1 44.0 -59.1 -50.5 35.7 62.2 17.5 208 208 A Y H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.931 113.4 50.5 -61.7 -48.2 34.8 60.6 20.8 209 209 A I H X S+ 0 0 35 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.918 110.0 51.2 -57.0 -43.3 34.1 63.9 22.6 210 210 A D H X S+ 0 0 90 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.885 112.4 45.9 -59.2 -41.1 31.9 65.0 19.7 211 211 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.926 113.0 49.0 -69.3 -46.7 29.9 61.7 19.9 212 212 A W H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.926 112.1 49.0 -55.0 -47.8 29.6 61.9 23.7 213 213 A E H X S+ 0 0 48 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.792 103.0 62.1 -67.5 -29.8 28.4 65.5 23.5 214 214 A Y H X S+ 0 0 69 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.947 112.1 37.1 -57.9 -50.6 25.9 64.6 20.8 215 215 A Y H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.896 113.0 57.4 -68.7 -40.9 24.1 62.3 23.4 216 216 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.906 103.4 54.4 -55.7 -40.9 24.8 64.7 26.3 217 217 A A H X S+ 0 0 49 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.863 107.5 50.9 -63.4 -37.0 22.9 67.5 24.4 218 218 A I H X S+ 0 0 40 -4,-1.1 4,-2.3 -3,-0.2 -1,-0.2 0.928 110.2 48.1 -62.7 -49.6 19.9 65.1 24.0 219 219 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 113.5 48.6 -59.7 -40.5 19.8 64.3 27.7 220 220 A E H X S+ 0 0 48 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.903 110.3 49.3 -66.2 -43.3 20.1 68.0 28.6 221 221 A K H X S+ 0 0 112 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.912 112.9 48.2 -63.9 -42.8 17.3 69.1 26.2 222 222 A D H X S+ 0 0 50 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.908 110.0 52.7 -65.2 -40.9 15.1 66.4 27.6 223 223 A F H X S+ 0 0 23 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.913 109.0 49.1 -56.8 -46.0 16.0 67.5 31.1 224 224 A R H X S+ 0 0 128 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.916 109.5 52.6 -62.4 -40.2 15.0 71.1 30.3 225 225 A D H X S+ 0 0 53 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.884 110.5 47.3 -63.6 -42.6 11.7 70.0 28.8 226 226 A V H >< S+ 0 0 0 -4,-2.3 3,-1.1 2,-0.2 -2,-0.2 0.929 110.1 52.9 -59.3 -49.1 10.9 68.0 32.1 227 227 A M H >< S+ 0 0 29 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.889 104.9 55.7 -56.2 -38.0 11.9 71.0 34.2 228 228 A D H 3< S+ 0 0 133 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.769 113.6 40.9 -67.3 -23.2 9.5 73.2 32.2 229 229 A Q T X< S+ 0 0 58 -3,-1.1 3,-1.8 -4,-0.7 -1,-0.3 0.051 74.9 122.8-110.2 24.4 6.6 70.8 33.0 230 230 A I G X + 0 0 13 -3,-1.4 3,-2.2 1,-0.3 -1,-0.1 0.733 57.6 78.7 -62.3 -20.9 7.5 70.1 36.7 231 231 A K G 3 S+ 0 0 159 1,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.558 72.1 79.0 -71.3 -7.2 4.1 71.3 37.8 232 232 A V G < S+ 0 0 23 -3,-1.8 -84,-0.3 -80,-0.1 -1,-0.3 0.737 87.5 74.2 -63.2 -23.8 2.6 68.0 36.8 233 233 A F S < S- 0 0 9 -3,-2.2 -87,-0.3 -4,-0.2 5,-0.1 -0.480 101.5 -85.2 -93.5 162.5 4.0 66.7 40.1 234 234 A S > - 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0 0 118 -3,-1.9 -55,-0.3 1,-0.2 -3,-0.2 0.832 63.8 -66.6 53.6 37.7 38.2 64.7 30.5 260 260 A Y T 3 > - 0 0 112 -2,-0.7 4,-1.7 1,-0.1 3,-0.9 -0.192 18.1-116.9 -48.4 141.5 30.3 65.2 45.8 270 270 A K H 3> S+ 0 0 157 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.850 116.3 57.0 -46.3 -43.7 27.8 65.3 48.7 271 271 A R H 3> S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 106.0 50.3 -63.1 -34.1 28.7 68.9 49.4 272 272 A K H <> S+ 0 0 63 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.860 105.7 55.3 -67.9 -38.7 27.7 69.8 45.8 273 273 A K H X S+ 0 0 16 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.914 108.8 49.2 -60.4 -41.3 24.4 68.0 46.1 274 274 A A H X S+ 0 0 34 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.905 107.9 53.6 -64.5 -42.9 23.8 70.3 49.1 275 275 A K H X S+ 0 0 117 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.942 109.5 48.3 -55.1 -51.0 24.7 73.3 47.0 276 276 A L H X S+ 0 0 9 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.883 109.7 52.6 -59.1 -41.4 22.2 72.3 44.4 277 277 A F H X S+ 0 0 44 -4,-2.3 4,-3.3 2,-0.2 -1,-0.2 0.913 107.9 50.7 -60.2 -42.9 19.5 71.8 47.0 278 278 A H H X S+ 0 0 139 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.921 111.9 48.4 -59.1 -46.6 20.1 75.3 48.4 279 279 A E H X S+ 0 0 100 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.902 117.1 40.5 -60.4 -46.8 19.8 76.8 44.9 280 280 A I H X S+ 0 0 6 -4,-2.6 4,-1.6 1,-0.2 3,-0.3 0.941 114.0 53.3 -67.9 -45.0 16.6 74.9 44.1 281 281 A N H < S+ 0 0 81 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.788 105.2 52.6 -65.8 -32.2 15.1 75.4 47.6 282 282 A S H < S+ 0 0 87 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.852 106.3 55.6 -68.6 -36.1 15.6 79.2 47.5 283 283 A K H < 0 0 136 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.884 360.0 360.0 -60.2 -40.2 13.7 79.2 44.2 284 284 A Y < 0 0 102 -4,-1.6 -1,-0.2 -45,-0.0 -2,-0.2 0.438 360.0 360.0 -87.0 360.0 10.8 77.4 45.9