==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-DEC-10 3PUG . COMPND 2 MOLECULE: MALATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOFERAX VOLCANII; . AUTHOR B.R.HOWARD,C.D.BRACKEN,A.M.NEIGHBOR,G.C.THOMAS,K.K.LAMLENN, . 349 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 10.0 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 . 1 0.3 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 . 16 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 0 2 2 0 1 0 2 1 0 2 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 1 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 1 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 2 A T 0 0 115 0, 0.0 2,-0.4 0, 0.0 221,-0.1 0.000 360.0 360.0 360.0 137.7 -4.3 -17.9 58.7 2 3 A E - 0 0 166 218,-0.1 2,-0.2 219,-0.1 217,-0.0 -0.834 360.0-120.3-121.2 145.7 -7.7 -19.6 58.4 3 4 A R - 0 0 102 -2,-0.4 220,-0.1 1,-0.1 219,-0.1 -0.468 13.1-157.5 -77.4 138.3 -11.2 -18.8 57.4 4 5 A R + 0 0 81 218,-0.9 2,-0.2 177,-0.3 -1,-0.1 0.273 60.7 87.4-100.6 11.0 -14.0 -19.2 60.0 5 6 A H S S- 0 0 45 2,-0.2 -2,-0.1 1,-0.1 176,-0.0 -0.713 80.3-117.1-121.3 160.0 -16.9 -19.5 57.7 6 7 A D S S+ 0 0 144 -2,-0.2 2,-0.7 1,-0.1 3,-0.1 0.876 102.6 66.1 -58.6 -37.0 -18.8 -22.2 55.8 7 8 A R - 0 0 74 1,-0.2 -2,-0.2 35,-0.0 -1,-0.1 -0.791 58.5-176.7 -95.0 112.8 -18.0 -20.7 52.4 8 9 A E S S+ 0 0 127 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.830 78.4 21.2 -73.2 -35.0 -14.2 -20.9 51.8 9 10 A F - 0 0 106 -3,-0.1 2,-0.4 215,-0.1 -1,-0.2 -0.940 62.6-166.9-130.3 160.3 -14.8 -18.9 48.5 10 11 A V + 0 0 1 -2,-0.3 3,-0.1 215,-0.2 242,-0.0 -0.954 7.9 175.9-150.1 118.1 -17.6 -16.6 47.2 11 12 A R + 0 0 53 -2,-0.4 243,-2.0 1,-0.2 2,-0.4 0.784 68.9 42.3 -95.6 -36.8 -17.6 -15.6 43.5 12 13 A T E -a 254 0A 0 241,-0.2 31,-2.4 28,-0.1 2,-0.5 -0.946 49.7-179.5-125.3 134.8 -20.8 -13.6 43.4 13 14 A F E -ab 255 43A 0 241,-1.6 243,-2.5 -2,-0.4 2,-0.5 -0.946 23.7-170.1-134.5 99.6 -22.2 -11.1 45.8 14 15 A F E -ab 256 44A 11 29,-2.4 31,-3.3 -2,-0.5 2,-0.3 -0.838 6.6-155.6-109.1 120.7 -25.6 -10.0 44.3 15 16 A T E - b 0 45A 12 241,-1.6 -2,-0.0 -2,-0.5 29,-0.0 -0.718 9.4-176.1 -93.9 150.6 -27.7 -7.1 45.5 16 17 A S E - b 0 46A 5 29,-1.7 31,-2.5 -2,-0.3 35,-0.1 -0.991 33.0-108.0-135.9 141.6 -31.5 -6.5 45.2 17 18 A P E - b 0 47A 31 0, 0.0 12,-0.2 0, 0.0 3,-0.2 -0.300 23.4-152.6 -57.4 139.6 -33.7 -3.5 46.2 18 19 A T S S+ 0 0 0 29,-0.7 2,-0.3 1,-0.3 11,-0.1 0.745 77.9 14.7 -90.0 -25.4 -35.8 -4.5 49.2 19 20 A A - 0 0 2 7,-0.1 34,-0.4 34,-0.1 2,-0.4 -0.887 68.2-165.2-152.1 116.7 -38.8 -2.1 48.6 20 21 A V 0 0 55 5,-1.2 7,-0.1 -2,-0.3 32,-0.1 -0.856 360.0 360.0-105.8 140.5 -39.5 -0.3 45.3 21 22 A E 0 0 160 -2,-0.4 3,-0.1 3,-0.0 -1,-0.0 -0.303 360.0 360.0 -46.5 360.0 -42.0 2.6 44.9 22 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 25 A D 0 0 180 0, 0.0 2,-0.8 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-173.4 -47.4 -2.9 42.9 24 26 A D > - 0 0 53 1,-0.1 3,-1.7 -3,-0.1 -4,-0.0 -0.910 360.0-158.4 -93.2 101.9 -45.8 -5.5 45.3 25 27 A S T 3 S+ 0 0 15 -2,-0.8 -5,-1.2 1,-0.3 3,-0.3 0.661 89.8 64.6 -60.8 -20.8 -42.7 -3.6 46.6 26 28 A A T 3> S+ 0 0 0 -7,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.184 72.0 112.7 -80.7 13.8 -41.1 -6.9 47.4 27 29 A K H <> S+ 0 0 71 -3,-1.7 4,-2.1 1,-0.2 5,-0.3 0.955 73.4 46.1 -51.4 -69.1 -41.1 -7.7 43.7 28 30 A M H > S+ 0 0 87 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.834 115.0 49.9 -40.9 -46.4 -37.3 -7.7 43.1 29 31 A L H > S+ 0 0 0 -12,-0.2 4,-3.1 -4,-0.2 -1,-0.2 0.934 107.3 51.4 -62.9 -49.1 -36.8 -9.8 46.2 30 32 A R H < S+ 0 0 62 -4,-2.5 4,-0.2 -3,-0.3 -2,-0.2 0.878 115.9 41.7 -59.1 -41.3 -39.3 -12.5 45.4 31 33 A R H >< S+ 0 0 183 -4,-2.1 3,-1.6 2,-0.2 -1,-0.2 0.898 112.4 52.3 -72.0 -43.2 -37.8 -13.1 41.9 32 34 A A H >< S+ 0 0 9 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.941 106.0 56.7 -63.1 -42.9 -34.2 -12.9 43.0 33 35 A A T 3< S+ 0 0 1 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.597 99.2 62.6 -55.0 -18.0 -35.1 -15.5 45.6 34 36 A G T < S+ 0 0 45 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.2 0.304 77.4 117.0 -86.6 6.0 -36.3 -17.7 42.7 35 37 A L < + 0 0 21 -3,-1.7 2,-0.3 4,-0.1 5,-0.1 -0.530 38.3 174.7 -87.0 141.1 -32.8 -18.0 41.1 36 38 A R > + 0 0 105 -2,-0.2 3,-1.3 39,-0.1 4,-0.1 -0.862 43.0 5.1-139.2 167.1 -31.2 -21.4 40.8 37 39 A G G > S- 0 0 63 -2,-0.3 3,-2.6 1,-0.2 -2,-0.0 -0.108 125.4 -11.2 57.6-148.3 -28.0 -22.7 39.2 38 40 A M G 3 S+ 0 0 80 1,-0.3 228,-0.3 227,-0.0 -1,-0.2 0.652 131.9 64.6 -64.5 -14.7 -25.5 -20.4 37.6 39 41 A Q G < S+ 0 0 108 -3,-1.3 -1,-0.3 224,-0.1 -2,-0.2 0.507 89.1 86.7 -82.7 -5.3 -28.0 -17.5 37.8 40 42 A A S < S- 0 0 8 -3,-2.6 -28,-0.1 -4,-0.1 2,-0.1 -0.799 77.9-128.1 -96.3 133.2 -27.8 -17.7 41.7 41 43 A P - 0 0 3 0, 0.0 3,-0.2 0, 0.0 36,-0.1 -0.434 12.3-130.4 -76.7 148.7 -25.1 -15.8 43.7 42 44 A D S S+ 0 0 11 1,-0.2 36,-2.2 35,-0.2 2,-0.4 0.866 105.5 29.1 -54.9 -35.3 -22.9 -17.5 46.2 43 45 A V E S-bc 13 78A 0 -31,-2.4 -29,-2.4 34,-0.2 2,-0.5 -0.988 77.0-159.9-131.5 131.4 -24.0 -14.7 48.4 44 46 A W E -bc 14 79A 1 34,-2.6 36,-2.5 -2,-0.4 -29,-0.2 -0.907 4.0-165.8-116.4 132.0 -27.3 -12.8 48.1 45 47 A V E -b 15 0A 0 -31,-3.3 -29,-1.7 -2,-0.5 2,-0.6 -0.764 11.5-159.3-119.8 88.9 -27.7 -9.4 49.5 46 48 A P E -b 16 0A 0 0, 0.0 36,-1.6 0, 0.0 2,-0.9 -0.649 31.6-142.0 -63.6 125.7 -31.2 -8.0 49.9 47 49 A D E +bd 17 82A 2 -31,-2.5 -29,-0.7 -2,-0.6 5,-0.2 -0.753 36.8 170.0-101.4 94.5 -30.0 -4.5 50.1 48 50 A N S S+ 0 0 0 34,-1.1 -1,-0.1 -2,-0.9 35,-0.1 0.351 73.7 58.1 -75.2 7.4 -31.8 -2.1 52.5 49 51 A E S > S- 0 0 12 33,-0.1 3,-1.1 34,-0.1 35,-0.1 0.615 117.1 -5.4-103.6 -97.4 -29.1 0.5 51.9 50 52 A D T 3 S+ 0 0 72 1,-0.3 259,-0.2 -33,-0.0 -2,-0.1 0.876 125.3 60.2 -76.5 -33.1 -28.1 2.0 48.6 51 53 A A T 3 S+ 0 0 46 -35,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.655 103.0 64.9 -57.2 -20.9 -30.3 -0.1 46.3 52 54 A T S < S- 0 0 4 -3,-1.1 -32,-0.1 -5,-0.2 5,-0.1 -0.899 90.2-113.7-117.7 131.6 -33.4 1.2 48.1 53 55 A A > - 0 0 32 -2,-0.4 3,-1.0 -34,-0.4 4,-0.1 -0.317 34.9-120.9 -56.5 143.6 -34.7 4.7 48.3 54 56 A P G > S+ 0 0 92 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.810 110.9 54.4 -62.9 -31.8 -34.4 5.9 52.0 55 57 A S G 3 S+ 0 0 104 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.653 106.3 55.0 -80.1 -13.3 -38.1 6.5 52.5 56 58 A M G <> S+ 0 0 22 -3,-1.0 4,-2.5 1,-0.1 -1,-0.3 0.326 84.3 95.3 -86.6 5.2 -38.7 2.9 51.4 57 59 A R H <> S+ 0 0 50 -3,-1.3 4,-1.5 2,-0.2 -2,-0.1 0.824 78.0 49.1 -78.0 -34.6 -36.3 1.5 54.0 58 60 A D H > S+ 0 0 99 -4,-0.3 4,-1.3 -3,-0.2 -1,-0.2 0.864 114.7 48.0 -69.4 -36.8 -38.7 0.6 56.8 59 61 A E H > S+ 0 0 77 -4,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.880 105.8 59.4 -66.5 -44.0 -40.8 -1.2 54.4 60 62 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.904 102.2 53.0 -48.8 -42.0 -37.7 -2.9 53.0 61 63 A A H X S+ 0 0 3 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.938 110.1 46.8 -69.8 -39.0 -37.0 -4.4 56.3 62 64 A E H X S+ 0 0 109 -4,-1.3 4,-2.9 1,-0.2 3,-0.2 0.912 112.1 51.4 -58.1 -46.7 -40.5 -5.9 56.5 63 65 A N H X S+ 0 0 9 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.827 103.6 57.6 -61.4 -33.0 -40.2 -7.2 53.0 64 66 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 5,-0.3 0.922 111.5 43.2 -61.4 -40.4 -36.9 -8.8 53.9 65 67 A V H X S+ 0 0 3 -4,-1.4 4,-1.5 -3,-0.2 -2,-0.2 0.897 115.4 48.7 -72.1 -41.9 -38.8 -10.7 56.6 66 68 A E H X S+ 0 0 74 -4,-2.9 4,-2.6 3,-0.2 5,-0.3 0.982 117.0 39.8 -64.4 -53.3 -41.8 -11.5 54.3 67 69 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.924 118.5 43.5 -66.9 -41.8 -39.7 -12.8 51.4 68 70 A I H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.3 5,-0.4 0.850 114.5 55.9 -72.5 -29.0 -37.0 -14.8 53.3 69 71 A S H < S+ 0 0 51 -4,-1.5 4,-0.3 -5,-0.3 -2,-0.2 0.994 116.7 31.5 -59.7 -60.8 -39.8 -16.1 55.5 70 72 A E H < S+ 0 0 122 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.836 141.0 14.9 -70.0 -28.4 -41.9 -17.5 52.6 71 73 A Q H >X S+ 0 0 56 -4,-2.7 3,-1.0 -5,-0.3 4,-0.6 0.446 91.3 96.2-132.0 -2.5 -38.9 -18.3 50.3 72 74 A G G >< S+ 0 0 5 -4,-2.1 3,-1.2 -5,-0.3 -3,-0.1 0.854 76.1 69.7 -64.6 -31.3 -35.6 -18.4 52.1 73 75 A A G 34 S+ 0 0 64 -5,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.720 103.6 40.4 -65.5 -25.5 -35.6 -22.1 52.7 74 76 A E G <4 S+ 0 0 133 -3,-1.0 -1,-0.3 -41,-0.1 -2,-0.2 0.585 82.5 117.2 -99.6 -16.4 -35.1 -23.0 49.1 75 77 A F << - 0 0 14 -3,-1.2 -39,-0.1 -4,-0.6 4,-0.1 -0.385 56.3-151.5 -64.0 123.9 -32.6 -20.3 48.2 76 78 A P + 0 0 75 0, 0.0 -1,-0.2 0, 0.0 -40,-0.1 0.783 69.0 53.4 -77.6 -27.5 -29.5 -22.2 47.3 77 79 A G S S- 0 0 25 1,-0.1 2,-0.3 -36,-0.1 -34,-0.2 -0.187 99.4 -77.1 -88.3-169.3 -26.8 -19.7 48.3 78 80 A E E -c 43 0A 17 -36,-2.2 -34,-2.6 -37,-0.1 2,-0.4 -0.660 41.5-140.3 -85.2 144.6 -26.1 -17.9 51.5 79 81 A I E +c 44 0A 3 34,-0.4 36,-3.2 -2,-0.3 37,-0.7 -0.967 28.1 163.8-108.5 129.1 -28.3 -14.9 52.4 80 82 A H - 0 0 0 -36,-2.5 37,-0.2 -2,-0.4 34,-0.1 -0.712 22.8-153.0-143.8 81.5 -26.8 -11.7 54.0 81 83 A P - 0 0 0 0, 0.0 37,-1.4 0, 0.0 2,-0.5 -0.295 18.3-121.7 -61.8 148.2 -29.0 -8.6 53.8 82 84 A R B -de 47 118A 9 -36,-1.6 -34,-1.1 35,-0.2 37,-0.2 -0.780 26.1-158.4 -87.3 122.6 -27.2 -5.2 53.9 83 85 A M - 0 0 0 35,-2.2 2,-0.2 -2,-0.5 13,-0.1 -0.270 25.8-101.0 -89.6 174.1 -28.1 -2.8 56.8 84 86 A V + 0 0 8 8,-0.1 2,-0.3 -35,-0.1 -1,-0.1 -0.658 55.1 149.5 -86.1 164.5 -27.7 1.0 56.8 85 87 A W - 0 0 6 -2,-0.2 2,-0.3 11,-0.1 8,-0.1 -0.934 22.7-169.1-177.4 154.2 -24.7 2.2 58.8 86 88 A H > - 0 0 47 -2,-0.3 3,-2.2 3,-0.3 7,-0.3 -0.759 27.6-141.8-166.5 132.7 -22.2 5.0 58.9 87 89 A R T 3 S+ 0 0 25 34,-1.7 -1,-0.1 1,-0.3 35,-0.1 0.754 108.2 44.1 -51.5 -25.2 -19.0 5.8 60.6 88 90 A D T 3 S+ 0 0 116 1,-0.2 -1,-0.3 33,-0.1 34,-0.0 0.131 105.3 62.6-106.3 20.1 -20.1 9.4 60.9 89 91 A S <> - 0 0 24 -3,-2.2 4,-2.6 1,-0.1 -3,-0.3 -0.737 48.5-171.4-157.8 88.1 -23.7 9.1 61.9 90 92 A P H > S+ 0 0 78 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.853 92.8 58.8 -55.3 -32.3 -25.0 7.6 65.1 91 93 A E H > S+ 0 0 144 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.980 107.5 46.4 -63.3 -48.5 -28.6 7.8 63.9 92 94 A T H > S+ 0 0 44 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.924 111.4 51.7 -56.4 -41.3 -27.6 5.6 60.9 93 95 A R H X S+ 0 0 31 -4,-2.6 4,-2.1 -7,-0.3 -1,-0.2 0.965 112.3 46.0 -59.2 -48.9 -25.8 3.2 63.1 94 96 A Y H X S+ 0 0 124 -4,-2.7 4,-2.7 1,-0.3 -2,-0.2 0.896 110.8 53.2 -64.7 -40.9 -28.9 2.9 65.4 95 97 A Q H X S+ 0 0 61 -4,-3.0 4,-2.7 -5,-0.3 5,-0.3 0.943 108.2 50.2 -56.3 -50.2 -31.2 2.5 62.5 96 98 A G H X S+ 0 0 2 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.924 111.6 47.6 -58.4 -38.8 -29.1 -0.3 61.1 97 99 A F H X S+ 0 0 24 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.937 109.9 52.9 -71.7 -37.3 -29.1 -2.1 64.4 98 100 A Q H X S+ 0 0 72 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.917 110.4 47.0 -63.0 -42.3 -32.9 -1.6 64.8 99 101 A H H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.875 111.4 53.1 -65.0 -30.7 -33.6 -3.1 61.4 100 102 A M H X S+ 0 0 3 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.847 108.3 49.1 -73.4 -32.3 -31.3 -5.9 62.3 101 103 A L H < S+ 0 0 44 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.923 112.1 47.4 -76.2 -39.6 -33.1 -6.6 65.4 102 104 A D H >< S+ 0 0 84 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.972 109.9 54.3 -59.1 -58.2 -36.6 -6.6 63.7 103 105 A I H 3< S+ 0 0 0 -4,-2.6 8,-0.4 1,-0.3 7,-0.2 0.779 108.6 48.2 -46.0 -30.9 -35.3 -8.9 60.9 104 106 A T T 3< + 0 0 0 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.481 67.6 130.0-105.0 2.4 -34.0 -11.6 63.3 105 107 A D X - 0 0 44 -3,-1.7 3,-0.9 -4,-0.5 5,-0.4 -0.398 55.4-144.1 -54.8 120.2 -37.0 -12.0 65.6 106 108 A P G > S+ 0 0 58 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.811 92.4 69.9 -68.7 -26.7 -37.2 -15.8 65.5 107 109 A E G 3 S+ 0 0 171 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.111 93.9 61.1 -64.3 16.1 -41.0 -15.8 65.7 108 110 A R G < S- 0 0 108 -3,-0.9 -1,-0.2 -2,-0.1 -3,-0.1 0.391 102.2-123.3-130.0 -4.1 -41.0 -14.4 62.1 109 111 A G S < S+ 0 0 13 -3,-1.5 -37,-0.1 -4,-0.2 4,-0.1 0.386 85.0 92.2 82.1 -9.2 -39.3 -17.0 60.1 110 112 A A >> + 0 0 0 -5,-0.4 3,-3.0 -7,-0.2 4,-0.7 0.930 67.6 69.8 -84.3 -37.4 -36.5 -15.1 58.5 111 113 A V G >4 S+ 0 0 12 -6,-0.4 3,-1.1 -8,-0.4 -1,-0.1 0.737 91.7 59.7 -57.6 -34.0 -33.6 -15.5 60.9 112 114 A E G 34 S+ 0 0 110 1,-0.3 -1,-0.3 -6,-0.2 -2,-0.1 0.471 109.5 43.1 -77.1 -10.4 -33.1 -19.2 60.2 113 115 A H G <4 S+ 0 0 55 -3,-3.0 2,-0.5 -4,-0.1 -34,-0.4 0.332 96.3 95.2-110.0 -2.3 -32.4 -18.5 56.5 114 116 A I << - 0 0 14 -3,-1.1 -34,-0.2 -4,-0.7 3,-0.1 -0.781 47.7-177.6 -88.7 124.6 -30.2 -15.5 57.3 115 117 A H - 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0 0 116 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.404 49.3 -97.2 -67.8 147.1 -11.1 -22.9 34.7 272 274 A P - 0 0 117 0, 0.0 4,-0.1 0, 0.0 -4,-0.0 -0.184 22.7-127.3 -65.5 158.9 -12.1 -22.6 31.0 273 275 A K S S+ 0 0 210 -3,-0.1 2,-0.2 2,-0.1 0, 0.0 0.969 91.8 35.5 -66.0 -49.5 -13.7 -25.6 29.3 274 276 A T S S- 0 0 105 1,-0.1 -1,-0.0 -3,-0.0 2,-0.0 -0.661 88.2-109.4-105.0 153.4 -11.2 -25.7 26.4 275 277 A G - 0 0 65 -2,-0.2 2,-0.3 -3,-0.0 -1,-0.1 -0.151 33.9-159.2 -63.8 169.6 -7.4 -25.0 26.3 276 278 A S - 0 0 111 -4,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.977 9.5-139.9-160.0 146.4 -6.2 -21.8 24.5 277 279 A W - 0 0 252 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.945 16.0-155.1-118.8 130.0 -2.9 -20.6 22.9 278 280 A L - 0 0 169 -2,-0.4 2,-0.3 0, 0.0 -2,-0.0 -0.853 3.8-160.2-116.7 147.7 -1.5 -17.1 23.2 279 281 A L 0 0 176 -2,-0.4 -2,-0.0 1,-0.0 0, 0.0 -0.920 360.0 360.0-124.5 140.7 0.8 -15.1 20.9 280 282 A D 0 0 215 -2,-0.3 -1,-0.0 0, 0.0 0, 0.0 -0.325 360.0 360.0 -57.2 360.0 3.0 -12.0 21.4 281 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 282 331 A E 0 0 187 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.0 -24.8 1.2 19.1 283 332 A E + 0 0 170 2,-0.1 3,-0.5 3,-0.0 0, 0.0 0.359 360.0 69.7 -93.3 -22.0 -21.8 -1.2 19.5 284 333 A L S >> S+ 0 0 122 1,-0.2 3,-1.9 2,-0.2 4,-0.5 0.833 84.9 63.8 -57.9 -39.3 -20.5 2.3 19.1 285 334 A L G >4 S+ 0 0 113 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.860 97.4 53.6 -56.3 -42.5 -21.8 3.2 22.6 286 335 A G G 34 S+ 0 0 71 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.352 112.2 49.2 -70.8 6.5 -19.4 0.7 24.2 287 336 A L G <4 S+ 0 0 139 -3,-1.9 2,-0.5 1,-0.1 -2,-0.2 0.359 102.3 75.0-122.3 -8.4 -16.7 2.5 22.3 288 337 A T << + 0 0 85 -3,-0.9 2,-0.4 -4,-0.5 -1,-0.1 -0.946 50.5 179.9-115.6 129.0 -17.7 6.1 23.3 289 338 A S - 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0 0 90 0, 0.0 4,-1.3 0, 0.0 3,-0.2 -0.412 360.0 -63.1-113.6-154.7 -29.0 8.4 41.6 309 389 A E H >> S+ 0 0 102 1,-0.2 4,-2.3 -2,-0.2 3,-0.7 0.971 134.2 53.6 -47.5 -58.9 -27.4 9.7 44.8 310 390 A A H 3> S+ 0 0 26 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.722 105.4 50.9 -57.8 -32.2 -23.9 8.4 43.8 311 391 A T H 3> S+ 0 0 52 -3,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.852 112.9 50.5 -67.4 -37.8 -23.8 10.2 40.4 312 392 A Y H < S+ 0 0 48 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.945 112.2 38.2 -50.0 -59.7 -19.4 12.0 42.4 315 395 A A H 3X S+ 0 0 15 -4,-2.1 4,-1.6 1,-0.3 -1,-0.3 0.664 99.2 79.6 -66.4 -14.4 -19.9 15.3 40.4 316 396 A M H 3X S+ 0 0 19 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.3 0.654 85.5 66.3 -67.8 -6.4 -20.3 17.2 43.7 317 397 A T H <> S+ 0 0 14 -3,-1.4 4,-2.5 -4,-0.3 5,-0.2 0.963 102.5 36.5 -82.9 -57.8 -16.5 17.0 43.8 318 398 A P H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.914 121.2 50.7 -62.8 -40.7 -15.3 19.2 40.9 319 399 A I H X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.960 111.1 48.2 -58.9 -52.2 -18.3 21.5 41.7 320 400 A S H X S+ 0 0 48 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.856 111.3 49.3 -50.3 -42.7 -17.1 21.5 45.4 321 401 A L H X S+ 0 0 95 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.860 111.5 51.7 -67.2 -34.5 -13.6 22.3 44.3 322 402 A F H X S+ 0 0 15 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.934 111.3 45.4 -66.5 -43.5 -15.1 25.0 42.2 323 403 A Q H X S+ 0 0 26 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.959 111.5 51.4 -69.2 -50.1 -17.0 26.5 45.1 324 404 A D H X S+ 0 0 97 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.902 113.9 46.1 -45.3 -48.2 -14.1 26.3 47.4 325 405 A V H >X S+ 0 0 37 -4,-2.1 4,-1.8 1,-0.2 3,-0.6 0.956 113.6 47.8 -64.0 -50.5 -12.0 28.1 44.8 326 406 A Y H 3< S+ 0 0 45 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.866 110.5 51.9 -57.5 -40.7 -14.7 30.7 44.1 327 407 A E H 3< S+ 0 0 128 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.827 121.6 30.8 -65.8 -30.8 -15.3 31.4 47.8 328 408 A N H << S+ 0 0 106 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.417 109.5 64.3-117.0 -4.9 -11.5 32.0 48.5 329 409 A R >X + 0 0 104 -4,-1.8 3,-2.4 1,-0.1 4,-0.9 -0.421 42.8 158.4-125.0 64.3 -10.1 33.5 45.3 330 410 A P H >> S+ 0 0 87 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.925 78.6 63.2 -40.7 -52.3 -11.7 36.9 44.4 331 411 A D H 34 S+ 0 0 103 1,-0.3 4,-0.3 -3,-0.2 3,-0.1 0.682 105.6 46.2 -45.5 -21.3 -8.6 37.6 42.2 332 412 A Q H <> S+ 0 0 60 -3,-2.4 4,-2.0 -7,-0.2 -1,-0.3 0.634 85.4 93.1 -99.5 -18.7 -9.7 34.7 40.1 333 413 A H H X S+ 0 0 23 -4,-2.0 4,-1.3 2,-0.2 3,-1.0 0.946 111.6 40.6 -73.6 -44.5 -13.3 32.3 36.0 337 417 A E H 3X S+ 0 0 57 -4,-1.6 4,-2.8 -3,-0.3 3,-0.3 0.889 107.4 60.6 -66.3 -41.0 -16.2 34.2 34.5 338 418 A E H 3< S+ 0 0 153 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.519 114.5 40.0 -63.0 -3.4 -14.4 35.0 31.2 339 419 A R H <4 S+ 0 0 175 -3,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.581 129.3 23.1-125.0 -26.0 -14.1 31.2 30.8 340 420 A Y H < S- 0 0 63 -4,-1.3 4,-0.4 -3,-0.3 -2,-0.2 0.529 107.5-106.6-115.3 -13.4 -17.6 29.9 32.0 341 421 A G >X - 0 0 36 -4,-2.8 4,-1.7 -5,-0.2 3,-0.8 0.508 29.2 -99.3 76.4 129.4 -19.8 32.9 31.5 342 422 A A H 3> S+ 0 0 47 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.651 122.1 60.0 -47.7 -24.1 -21.1 34.8 34.5 343 423 A G H 3> S+ 0 0 48 2,-0.2 4,-0.7 1,-0.1 -1,-0.2 0.934 104.7 45.0 -73.0 -48.9 -24.4 32.9 34.3 344 424 A V H <> S+ 0 0 21 -3,-0.8 4,-2.7 -4,-0.4 3,-0.3 0.870 109.5 58.5 -61.3 -40.1 -22.9 29.4 34.7 345 425 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.952 108.6 38.8 -61.7 -57.1 -20.7 30.6 37.6 346 426 A E H < S+ 0 0 129 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.555 115.9 56.6 -77.8 -4.8 -23.3 31.9 40.1 347 427 A R H >< S+ 0 0 71 -4,-0.7 3,-1.3 -3,-0.3 -1,-0.2 0.839 107.8 45.9 -80.4 -46.1 -25.5 28.9 39.0 348 428 A A H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.888 103.9 64.0 -62.6 -42.5 -22.6 26.5 40.0 349 429 A M T 3< S+ 0 0 41 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 0.623 95.5 64.4 -52.9 -11.6 -22.3 28.4 43.2 350 430 A E T < + 0 0 146 -3,-1.3 2,-0.4 -5,-0.2 -1,-0.2 0.202 64.5 113.6-103.1 19.2 -25.9 27.3 44.0 351 431 A V < 0 0 6 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.1 -0.043 360.0 360.0 -99.0 38.7 -25.5 23.5 44.3 352 432 A G 0 0 104 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.1 0.566 360.0 360.0 74.8 360.0 -26.2 22.7 48.0