==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-SEP-11 3TQD . COMPND 2 MOLECULE: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR M.C.FRANKLIN,J.CHEUNG,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN . 243 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 11.9 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 1 1 0 1 2 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 . 1 2 0 1 1 0 1 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 . 1 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 E 0 0 181 0, 0.0 89,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -34.1 -13.1 25.4 24.8 2 3 A F - 0 0 15 36,-0.2 38,-3.0 87,-0.1 39,-0.5 -0.970 360.0-154.9-142.3 157.0 -11.1 28.5 24.2 3 4 A R E -ab 41 91A 45 87,-2.0 89,-3.0 -2,-0.3 2,-0.5 -0.928 10.6-139.6-124.0 144.9 -9.0 30.7 26.5 4 5 A V E -ab 42 92A 1 37,-2.4 39,-2.4 -2,-0.3 2,-0.4 -0.934 12.3-170.0-106.1 132.3 -8.1 34.4 26.1 5 6 A I E -ab 43 93A 0 87,-2.5 89,-2.0 -2,-0.5 39,-0.2 -0.985 6.8-160.7-115.4 128.6 -4.7 35.8 26.9 6 7 A I E -a 44 0A 0 37,-2.8 39,-2.3 -2,-0.4 2,-0.4 -0.909 5.6-153.6-111.4 107.8 -4.3 39.6 27.0 7 8 A P E -a 45 0A 14 0, 0.0 89,-1.7 0, 0.0 2,-0.4 -0.630 20.1-168.2 -79.4 130.5 -0.8 40.9 26.7 8 9 A A - 0 0 1 37,-2.5 39,-0.4 -2,-0.4 2,-0.3 -0.991 6.4-161.1-129.5 135.3 -0.7 44.2 28.4 9 10 A R - 0 0 136 -2,-0.4 8,-1.7 1,-0.1 37,-0.0 -0.855 15.2-168.9-115.6 147.2 2.0 46.8 28.3 10 11 A F 0 0 37 -2,-0.3 6,-1.8 6,-0.2 5,-1.8 0.872 360.0 360.0 -95.5 -58.8 2.9 49.7 30.5 11 12 A D 0 0 138 3,-0.2 5,-0.1 4,-0.2 -2,-0.1 0.949 360.0 360.0 -80.4 360.0 5.5 51.7 28.5 12 ! 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 13 16 A L > 0 0 47 0, 0.0 3,-0.9 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 93.2 0.8 56.5 25.6 14 17 A P T 3 + 0 0 120 0, 0.0 -3,-0.2 0, 0.0 -4,-0.0 -0.402 360.0 20.1 -56.1 134.8 2.8 56.0 28.7 15 18 A G T > S+ 0 0 11 -5,-1.8 3,-1.5 -2,-0.1 4,-0.2 0.827 86.0 171.8 78.5 33.9 1.1 53.8 31.3 16 19 A K G X + 0 0 13 -6,-1.8 3,-1.4 -3,-0.9 10,-0.3 0.790 63.2 49.4 -50.4 -53.8 -1.0 52.5 28.4 17 20 A A G 3 S+ 0 0 3 -8,-1.7 10,-3.0 1,-0.3 11,-0.3 0.707 114.8 47.9 -61.9 -21.6 -2.9 49.5 29.9 18 21 A L G < S+ 0 0 43 -3,-1.5 -1,-0.3 8,-0.2 -2,-0.2 0.275 75.3 130.5-108.6 5.8 -4.0 51.7 32.8 19 22 A V < - 0 0 21 -3,-1.4 7,-1.8 -4,-0.2 2,-0.2 -0.418 67.0-105.9 -59.7 138.0 -5.2 54.9 31.0 20 23 A D E -J 25 0B 79 5,-0.2 2,-0.4 -2,-0.1 -1,-0.1 -0.469 37.8-178.7 -71.7 130.9 -8.7 55.8 32.3 21 24 A I E > S-J 24 0B 0 3,-2.2 3,-1.7 -2,-0.2 8,-0.0 -0.915 73.9 -36.7-130.4 105.1 -11.6 55.1 30.0 22 25 A A T 3 S- 0 0 60 -2,-0.4 -2,-0.0 1,-0.3 220,-0.0 0.770 126.3 -40.8 52.2 34.4 -15.0 56.2 31.4 23 26 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.140 125.8 78.6 110.5 -19.6 -13.9 55.2 35.0 24 27 A K E < S-J 21 0B 68 -3,-1.7 -3,-2.2 -5,-0.1 -1,-0.2 -0.946 84.7-103.5-122.6 142.5 -12.1 52.0 34.4 25 28 A P E >> -J 20 0B 22 0, 0.0 3,-1.4 0, 0.0 4,-1.4 -0.274 37.1-110.7 -62.8 155.1 -8.5 51.4 33.1 26 29 A X H 3> S+ 0 0 0 -7,-1.8 4,-2.1 1,-0.3 3,-0.4 0.875 117.0 58.6 -54.1 -43.7 -8.3 50.3 29.5 27 30 A I H 3> S+ 0 0 0 -10,-3.0 4,-2.5 1,-0.2 -1,-0.3 0.812 101.3 56.3 -59.0 -30.5 -7.1 46.8 30.5 28 31 A Q H <> S+ 0 0 40 -3,-1.4 4,-2.7 -11,-0.3 -1,-0.2 0.888 105.8 50.3 -67.5 -41.7 -10.3 46.3 32.5 29 32 A H H X S+ 0 0 14 -4,-1.4 4,-2.5 -3,-0.4 -2,-0.2 0.941 112.4 47.6 -58.8 -47.0 -12.5 47.1 29.4 30 33 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.920 111.5 50.4 -57.4 -50.0 -10.5 44.6 27.4 31 34 A Y H X S+ 0 0 36 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.922 107.9 52.9 -57.2 -43.9 -10.8 42.0 30.2 32 35 A E H X S+ 0 0 57 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.920 106.1 53.2 -61.5 -46.2 -14.5 42.4 30.4 33 36 A S H X S+ 0 0 6 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.880 109.5 50.4 -52.7 -39.7 -14.9 41.8 26.6 34 37 A A H ><>S+ 0 0 0 -4,-1.7 5,-1.0 2,-0.2 3,-0.7 0.926 109.8 48.8 -66.9 -46.5 -12.9 38.6 27.1 35 38 A I H ><5S+ 0 0 83 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.942 110.3 51.6 -55.7 -47.3 -15.1 37.4 29.9 36 39 A K H 3<5S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.640 95.4 71.8 -67.1 -19.5 -18.3 38.1 28.0 37 40 A S T <<5S- 0 0 0 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.631 113.2-113.1 -67.4 -17.1 -17.0 36.1 25.0 38 41 A G T < 5 + 0 0 58 -3,-1.6 -36,-0.2 -4,-0.3 -2,-0.1 0.540 54.5 169.2 87.4 14.3 -17.6 32.9 26.9 39 42 A A < - 0 0 16 -5,-1.0 -1,-0.2 1,-0.1 -36,-0.2 -0.243 40.3-132.4 -52.7 139.1 -13.8 32.1 27.2 40 43 A E S S+ 0 0 108 -38,-3.0 2,-0.3 1,-0.2 -37,-0.2 0.856 90.5 3.7 -60.7 -37.2 -13.2 29.2 29.6 41 44 A E E -a 3 0A 57 -39,-0.5 -37,-2.4 -7,-0.0 2,-0.4 -0.976 63.9-157.4-149.7 144.0 -10.4 31.4 31.2 42 45 A V E -a 4 0A 9 -2,-0.3 19,-0.6 -39,-0.2 2,-0.4 -1.000 18.1-178.3-128.9 125.0 -9.1 34.9 30.7 43 46 A V E -ac 5 61A 1 -39,-2.4 -37,-2.8 -2,-0.4 2,-0.5 -0.990 21.4-141.8-129.7 136.9 -5.6 35.8 31.8 44 47 A I E -ac 6 62A 0 17,-2.4 19,-2.8 -2,-0.4 2,-0.5 -0.878 16.1-159.8 -94.6 127.8 -3.7 39.0 31.7 45 48 A A E +ac 7 63A 0 -39,-2.3 -37,-2.5 -2,-0.5 2,-0.3 -0.939 26.5 148.2-110.4 121.3 0.0 38.5 30.8 46 49 A T E - c 0 64A 0 17,-1.8 19,-2.3 -2,-0.5 -37,-0.1 -0.994 47.8-149.9-152.9 152.6 2.3 41.4 31.8 47 50 A D S S+ 0 0 41 -39,-0.4 2,-0.5 -2,-0.3 20,-0.1 0.325 77.2 95.0-102.5 6.7 5.9 42.0 32.9 48 51 A D >> - 0 0 18 -40,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.876 60.8-156.3-112.2 122.8 4.7 45.0 34.9 49 52 A K H 3> S+ 0 0 149 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.766 95.2 56.9 -64.1 -29.6 3.9 44.9 38.6 50 53 A R H 3> S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 108.1 47.9 -69.2 -37.3 1.6 47.9 38.5 51 54 A I H <> S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.906 111.1 52.0 -68.3 -42.3 -0.5 46.2 35.8 52 55 A R H X S+ 0 0 66 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.917 109.5 50.3 -57.2 -45.8 -0.5 43.1 38.0 53 56 A Q H X S+ 0 0 81 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.939 112.9 43.3 -62.5 -48.3 -1.7 45.1 40.9 54 57 A V H X S+ 0 0 50 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.890 116.4 47.0 -65.6 -42.8 -4.6 46.8 39.2 55 58 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 3,-0.9 0.920 112.8 48.5 -67.0 -45.4 -5.8 43.7 37.4 56 59 A E H ><5S+ 0 0 83 -4,-2.8 3,-1.4 -5,-0.2 -2,-0.2 0.875 105.6 60.3 -61.1 -31.9 -5.6 41.5 40.5 57 60 A D H 3<5S+ 0 0 125 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.708 106.7 44.7 -74.6 -16.7 -7.5 44.2 42.4 58 61 A F T <<5S- 0 0 48 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.243 129.1-100.1-104.1 10.1 -10.5 43.8 40.0 59 62 A G T < 5S+ 0 0 55 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.539 70.6 148.6 96.6 11.3 -10.1 40.1 40.3 60 63 A A < - 0 0 7 -5,-2.8 2,-0.5 -6,-0.1 -1,-0.3 -0.388 50.0-119.3 -80.8 147.2 -8.2 39.1 37.1 61 64 A V E -c 43 0A 75 -19,-0.6 -17,-2.4 -2,-0.1 2,-0.4 -0.800 36.4-162.5 -79.6 129.5 -5.8 36.1 37.0 62 65 A V E -c 44 0A 21 -2,-0.5 2,-0.6 -19,-0.2 -17,-0.2 -0.971 16.1-157.9-119.9 132.2 -2.4 37.6 36.1 63 66 A C E -c 45 0A 17 -19,-2.8 -17,-1.8 -2,-0.4 2,-0.5 -0.949 19.3-140.7-105.5 115.2 0.6 35.7 34.7 64 67 A X E -c 46 0A 82 -2,-0.6 -17,-0.2 -19,-0.2 2,-0.2 -0.690 25.6-165.4 -73.9 124.2 3.8 37.7 35.4 65 68 A T - 0 0 11 -19,-2.3 2,-0.3 -2,-0.5 10,-0.1 -0.453 24.4 -82.6-107.4 177.4 6.0 37.3 32.3 66 69 A S > - 0 0 32 -2,-0.2 3,-1.1 1,-0.1 -19,-0.1 -0.643 18.7-135.9 -89.7 139.0 9.7 38.0 31.7 67 70 A S T 3 S+ 0 0 81 -2,-0.3 -1,-0.1 1,-0.2 -20,-0.1 0.772 109.4 61.4 -56.3 -26.6 11.1 41.5 30.9 68 71 A D T 3 S+ 0 0 134 1,-0.2 2,-1.5 2,-0.1 -1,-0.2 0.852 89.3 71.9 -63.3 -37.9 13.2 39.5 28.3 69 72 A H < + 0 0 67 -3,-1.1 -1,-0.2 1,-0.2 6,-0.1 -0.608 62.6 160.0 -86.4 83.7 10.0 38.4 26.5 70 73 A Q + 0 0 110 -2,-1.5 -1,-0.2 4,-0.1 2,-0.1 0.754 40.4 81.2 -88.3 -29.1 9.1 41.8 24.9 71 74 A S S > S- 0 0 26 1,-0.1 4,-1.8 137,-0.0 3,-0.4 -0.480 85.4-116.9 -77.3 153.1 6.7 41.0 22.0 72 75 A G H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.861 116.1 51.7 -52.6 -40.1 3.0 40.3 22.8 73 76 A T H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.788 104.2 54.1 -74.6 -31.7 3.5 36.8 21.4 74 77 A E H > S+ 0 0 65 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.884 110.9 48.9 -61.6 -39.8 6.5 36.0 23.6 75 78 A R H X S+ 0 0 19 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.918 110.7 49.2 -63.5 -50.2 4.3 37.0 26.5 76 79 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.875 112.0 49.4 -55.0 -45.7 1.4 34.9 25.4 77 80 A A H X S+ 0 0 12 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.907 111.7 46.8 -63.1 -46.5 3.8 31.9 24.9 78 81 A E H X S+ 0 0 52 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.942 116.0 46.5 -63.7 -44.0 5.3 32.3 28.4 79 82 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.891 110.1 53.2 -64.3 -37.7 1.9 32.6 29.9 80 83 A A H <>S+ 0 0 2 -4,-2.4 5,-2.3 1,-0.2 4,-0.3 0.856 112.9 44.4 -69.0 -37.6 0.6 29.6 27.9 81 84 A V H ><5S+ 0 0 120 -4,-2.3 3,-1.5 3,-0.2 -2,-0.2 0.955 113.0 50.6 -66.6 -50.5 3.4 27.5 29.2 82 85 A A H 3<5S+ 0 0 71 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.732 112.6 47.5 -59.0 -27.7 3.0 28.8 32.8 83 86 A L T 3<5S- 0 0 49 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.451 113.5-119.2 -93.6 -5.3 -0.7 28.1 32.7 84 87 A G T < 5 + 0 0 49 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.2 0.741 42.2 179.3 74.5 27.1 -0.2 24.5 31.3 85 88 A F < - 0 0 19 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.1 -0.415 24.7-128.2 -69.4 132.0 -2.1 24.8 28.0 86 89 A E > - 0 0 132 -2,-0.2 3,-2.0 1,-0.1 101,-0.4 -0.420 25.2-107.8 -72.8 152.3 -2.0 21.6 25.8 87 90 A D T 3 S+ 0 0 117 1,-0.3 101,-2.1 100,-0.2 102,-0.2 0.687 117.2 55.0 -57.1 -22.1 -0.9 21.9 22.2 88 91 A D T 3 S+ 0 0 120 99,-0.2 -1,-0.3 98,-0.1 2,-0.1 0.524 84.3 109.4 -90.1 -2.0 -4.5 21.4 20.9 89 92 A E < - 0 0 33 -3,-2.0 98,-2.2 1,-0.1 2,-0.5 -0.465 68.4-126.6 -84.3 143.8 -6.0 24.2 22.9 90 93 A I E - D 0 186A 12 -89,-0.4 -87,-2.0 96,-0.2 2,-0.4 -0.802 23.9-166.8 -92.9 123.0 -7.2 27.3 21.2 91 94 A I E -bD 3 185A 0 94,-3.1 94,-2.5 -2,-0.5 2,-0.6 -0.927 9.3-153.8-106.7 132.8 -5.8 30.6 22.5 92 95 A V E -bD 4 184A 0 -89,-3.0 -87,-2.5 -2,-0.4 2,-0.7 -0.953 8.8-153.0-102.8 121.2 -7.2 33.9 21.6 93 96 A C E -bD 5 183A 4 90,-3.2 90,-2.5 -2,-0.6 2,-0.6 -0.860 14.7-174.8 -91.1 109.7 -4.6 36.7 21.9 94 97 A L E - D 0 182A 0 -89,-2.0 88,-0.2 -2,-0.7 -60,-0.1 -0.948 23.1-129.6-109.7 109.4 -6.6 39.9 22.6 95 98 A Q > - 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0 0 130 -2,-0.3 -2,-0.1 1,-0.1 18,-0.0 -0.478 29.0 -92.8 -85.5 162.0 13.0 35.3 12.8 198 202 A A - 0 0 30 -2,-0.1 -1,-0.1 1,-0.1 10,-0.0 -0.167 35.9-140.7 -63.7 162.8 11.7 38.8 11.9 199 203 A C > - 0 0 1 1,-0.1 4,-1.5 9,-0.1 5,-0.2 -0.869 23.2-110.1-126.1 159.0 11.6 40.1 8.4 200 204 A P H > S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.882 115.5 53.5 -55.4 -40.4 12.3 43.5 6.9 201 205 A A H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.911 105.5 51.8 -67.5 -41.4 8.6 44.2 6.1 202 206 A E H >>S+ 0 0 17 1,-0.2 5,-1.4 2,-0.2 4,-1.1 0.871 112.4 48.2 -59.0 -36.9 7.4 43.5 9.6 203 207 A K H <5S+ 0 0 143 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.882 114.0 44.9 -75.1 -37.3 10.0 46.0 11.0 204 208 A X H <5S+ 0 0 157 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.938 123.2 35.2 -68.0 -50.1 9.2 48.8 8.5 205 209 A E H <5S- 0 0 30 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.638 100.8-133.0 -73.3 -21.7 5.4 48.4 8.9 206 210 A A T <5 + 0 0 84 -4,-1.1 2,-0.5 -5,-0.3 -3,-0.2 0.918 63.5 134.7 54.8 47.0 5.7 47.6 12.6 207 211 A L > < - 0 0 12 -5,-1.4 3,-1.9 -6,-0.2 4,-0.3 -0.877 40.6-169.7-125.0 101.1 3.3 44.7 12.0 208 212 A E T > S+ 0 0 47 -2,-0.5 3,-1.8 1,-0.3 4,-0.3 0.772 80.9 71.5 -65.4 -28.1 4.4 41.5 13.6 209 213 A Q T >> S+ 0 0 13 1,-0.3 4,-1.1 2,-0.2 3,-1.1 0.723 81.1 74.7 -58.3 -24.0 1.8 39.4 11.8 210 214 A L H <> S+ 0 0 5 -3,-1.9 4,-3.0 1,-0.3 -1,-0.3 0.779 82.4 70.4 -62.0 -24.3 3.9 39.9 8.5 211 215 A R H <> S+ 0 0 35 -3,-1.8 4,-1.6 -4,-0.3 -1,-0.3 0.863 94.9 51.5 -56.7 -43.1 6.3 37.4 10.0 212 216 A I H <4>S+ 0 0 1 -3,-1.1 5,-2.6 -4,-0.3 -1,-0.2 0.932 113.1 44.8 -59.3 -52.5 3.7 34.6 9.4 213 217 A L H ><5S+ 0 0 35 -4,-1.1 3,-1.9 3,-0.2 -2,-0.2 0.926 109.5 56.4 -58.0 -41.8 3.2 35.6 5.8 214 218 A W H 3<5S+ 0 0 154 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.882 107.1 49.7 -56.5 -38.9 7.0 36.0 5.2 215 219 A H T 3<5S- 0 0 69 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.320 124.6-100.5 -92.8 11.7 7.5 32.4 6.4 216 220 A G T < 5S+ 0 0 69 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.591 78.8 137.3 84.9 7.3 4.9 31.0 4.1 217 221 A G < - 0 0 20 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.370 44.4-134.3 -78.4 165.1 2.3 30.7 6.8 218 222 A R - 0 0 141 -2,-0.1 2,-0.5 -3,-0.1 -98,-0.4 -0.927 8.5-156.8-123.0 150.1 -1.4 31.7 6.3 219 223 A I - 0 0 0 -70,-0.3 -70,-2.5 -2,-0.3 2,-0.4 -0.987 14.4-145.1-125.4 118.9 -3.8 33.7 8.4 220 224 A H E -fI 121 148A 33 -100,-2.5 -98,-2.9 -2,-0.5 2,-0.4 -0.682 18.5-142.1 -85.2 133.1 -7.5 33.2 7.9 221 225 A X E -f 122 0A 1 -74,-2.7 2,-0.4 -2,-0.4 -98,-0.2 -0.835 11.6-161.9-102.3 138.1 -9.6 36.3 8.3 222 226 A V E -f 123 0A 11 -100,-2.2 -98,-2.3 -2,-0.4 2,-0.7 -0.956 17.3-138.8-107.1 134.0 -13.1 36.7 9.9 223 227 A V E -f 124 0A 39 -2,-0.4 -98,-0.2 -100,-0.2 -100,-0.1 -0.859 23.9-124.1 -93.3 112.8 -15.1 39.8 9.0 224 228 A A - 0 0 8 -100,-2.8 4,-0.1 -2,-0.7 -119,-0.0 -0.339 10.9-153.0 -56.9 135.9 -16.8 41.1 12.2 225 229 A K S S+ 0 0 165 2,-0.1 -1,-0.1 -100,-0.1 2,-0.1 0.892 77.2 56.4 -73.5 -44.9 -20.5 41.5 11.8 226 230 A S S S- 0 0 65 1,-0.1 2,-0.1 -124,-0.0 -2,-0.0 -0.448 104.3 -78.8 -88.5 161.4 -20.8 44.2 14.4 227 231 A K - 0 0 156 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.345 40.7-167.4 -56.7 130.5 -19.0 47.6 14.6 228 232 A C - 0 0 5 -127,-0.1 -127,-0.1 -4,-0.1 3,-0.1 -0.800 14.1-147.9-122.7 87.5 -15.5 47.2 15.9 229 233 A P - 0 0 11 0, 0.0 -129,-0.3 0, 0.0 12,-0.0 -0.167 30.2 -94.2 -53.7 141.6 -14.2 50.7 16.8 230 234 A P - 0 0 33 0, 0.0 -50,-0.1 0, 0.0 -92,-0.0 -0.285 44.8-116.1 -58.7 149.2 -10.5 51.2 16.3 231 235 A G - 0 0 7 -3,-0.1 2,-0.6 1,-0.1 -133,-0.2 0.252 28.6 -90.6 -70.8-165.7 -8.3 50.6 19.3 232 236 A V + 0 0 0 -135,-2.2 -1,-0.1 1,-0.1 3,-0.1 -0.913 59.0 130.4-126.2 104.8 -6.0 52.9 21.3 233 237 A D S S+ 0 0 79 -2,-0.6 2,-0.2 1,-0.1 -1,-0.1 0.593 71.8 40.2-119.1 -19.8 -2.4 53.5 20.5 234 238 A T S > S- 0 0 39 1,-0.0 4,-1.7 -221,-0.0 -1,-0.1 -0.740 86.7-105.7-123.5 169.9 -2.1 57.4 20.5 235 239 A E H > S+ 0 0 152 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.792 121.3 57.1 -68.3 -28.1 -3.6 60.2 22.5 236 240 A E H > S+ 0 0 132 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 105.4 50.3 -65.4 -42.8 -5.9 61.0 19.6 237 241 A D H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 108.0 54.3 -60.0 -41.5 -7.3 57.4 19.8 238 242 A L H X S+ 0 0 8 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.919 107.6 47.5 -64.3 -46.8 -7.9 57.8 23.5 239 243 A E H X S+ 0 0 111 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.886 112.0 51.6 -63.1 -37.3 -10.0 60.9 23.2 240 244 A R H < S+ 0 0 67 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.922 113.4 43.6 -61.0 -47.9 -12.1 59.3 20.4 241 245 A V H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 4,-0.3 0.926 109.9 54.8 -68.8 -41.7 -12.7 56.2 22.5 242 246 A R H >< S+ 0 0 86 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.887 103.7 59.3 -55.4 -36.0 -13.5 58.2 25.6 243 247 A A T 3< S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.519 88.4 72.2 -74.5 -7.9 -16.1 60.1 23.5 244 248 A Y T < 0 0 95 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.618 360.0 360.0 -70.4 -18.7 -18.0 56.9 22.7 245 249 A F < 0 0 150 -3,-1.4 -223,-0.0 -4,-0.3 -3,-0.0 -0.095 360.0 360.0-102.9 360.0 -19.3 56.8 26.4