==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-NOV-03 1VGT . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRAN . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR STRUCTURAL GENOMIX . 424 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 2 0.5 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 . 35 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 3 0 0 1 4 1 3 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 2 1 1 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 . 2 2 2 4 2 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 . 2 0 0 0 0 0 0 0 2 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 6 A L 0 0 144 0, 0.0 107,-0.1 0, 0.0 82,-0.0 0.000 360.0 360.0 360.0 -23.3 14.2 29.1 57.6 2 7 A D - 0 0 75 35,-0.1 83,-0.7 36,-0.0 82,-0.6 -0.272 360.0-164.2 -58.5 139.1 16.2 31.7 59.5 3 8 A V E -ab 37 85A 3 33,-2.6 35,-1.2 80,-0.1 36,-1.0 -0.923 10.9-154.7-123.2 142.7 19.6 32.6 58.0 4 9 A C E -ab 39 86A 3 81,-1.4 83,-1.8 -2,-0.4 2,-0.3 -0.980 15.7-149.2-116.5 126.9 22.5 34.4 59.6 5 10 A A E -ab 40 87A 0 34,-2.6 36,-2.8 -2,-0.5 2,-0.4 -0.704 4.9-155.5 -91.9 155.6 24.9 36.2 57.2 6 11 A V E -ab 41 88A 0 81,-2.7 83,-2.3 -2,-0.3 36,-0.2 -0.999 5.7-168.6-131.2 128.4 28.6 36.7 57.9 7 12 A V E -a 42 0A 0 34,-2.8 36,-2.7 -2,-0.4 2,-0.6 -0.962 15.2-147.4-119.2 106.5 30.6 39.5 56.4 8 13 A P E +a 43 0A 14 0, 0.0 83,-0.6 0, 0.0 36,-0.1 -0.603 33.7 157.4 -73.0 116.0 34.4 39.0 56.9 9 14 A A 0 0 7 34,-1.4 36,-0.5 -2,-0.6 56,-0.1 0.090 360.0 360.0-134.2 31.6 35.6 42.6 57.2 10 15 A A 0 0 69 34,-0.2 34,-0.1 54,-0.1 56,-0.1 -0.416 360.0 360.0-104.2 360.0 38.9 42.6 59.1 11 ! 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 12 26 A P >> 0 0 123 0, 0.0 3,-2.2 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -14.3 39.6 50.6 52.9 13 27 A K G >4 + 0 0 83 1,-0.3 3,-1.8 2,-0.2 10,-0.3 0.940 360.0 45.8 -47.5 -47.2 37.8 49.3 49.8 14 28 A Q G 34 S+ 0 0 33 1,-0.3 10,-2.6 9,-0.1 11,-0.3 0.695 108.8 58.9 -72.1 -9.0 34.6 48.6 51.9 15 29 A Y G <4 S+ 0 0 34 -3,-2.2 -1,-0.3 7,-0.2 -2,-0.2 0.353 80.7 105.4-100.6 6.4 35.0 52.1 53.5 16 30 A L << - 0 0 63 -3,-1.8 7,-2.2 -4,-0.6 2,-0.4 -0.481 68.9-125.5 -76.6 160.0 34.8 53.9 50.1 17 31 A S E -J 22 0B 62 5,-0.2 2,-0.4 -2,-0.1 5,-0.2 -0.883 27.5-176.3-123.0 149.3 31.5 55.6 49.5 18 32 A I E > S-J 21 0B 9 3,-2.7 3,-1.2 -2,-0.4 2,-0.1 -0.968 73.1 -37.3-135.8 107.7 28.7 55.7 47.0 19 33 A G T 3 S- 0 0 65 -2,-0.4 188,-0.0 1,-0.2 0, 0.0 -0.455 126.4 -17.5 75.6-138.1 25.9 58.2 47.7 20 34 A N T 3 S+ 0 0 137 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.311 126.5 63.2 -80.8 1.5 25.1 58.4 51.4 21 35 A Q E < S-J 18 0B 49 -3,-1.2 -3,-2.7 31,-0.0 31,-0.0 -0.978 75.5-115.2-139.1 155.1 26.8 55.2 52.3 22 36 A T E > -J 17 0B 3 -2,-0.3 4,-1.7 -5,-0.2 -5,-0.2 -0.271 41.0-109.6 -74.4 161.6 30.0 53.2 52.4 23 37 A I H > S+ 0 0 0 -7,-2.2 4,-2.6 -10,-0.3 3,-0.4 0.946 120.5 57.3 -60.4 -46.2 30.3 50.1 50.2 24 38 A L H > S+ 0 0 0 -10,-2.6 4,-3.2 1,-0.3 5,-0.2 0.871 106.4 49.4 -49.4 -46.2 30.1 47.9 53.4 25 39 A E H > S+ 0 0 14 -11,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.878 110.0 50.0 -63.7 -40.0 26.7 49.5 54.2 26 40 A H H X S+ 0 0 28 -4,-1.7 4,-1.5 -3,-0.4 -2,-0.2 0.928 113.4 47.0 -60.9 -45.8 25.4 48.9 50.7 27 41 A S H X S+ 0 0 0 -4,-2.6 4,-1.4 64,-0.3 -2,-0.2 0.946 114.2 46.7 -64.0 -45.9 26.6 45.2 50.9 28 42 A V H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 3,-0.3 0.926 110.3 52.0 -64.1 -46.4 25.0 44.7 54.3 29 43 A H H X S+ 0 0 70 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.871 104.9 56.6 -60.7 -30.0 21.7 46.4 53.4 30 44 A A H < S+ 0 0 13 -4,-1.5 4,-0.4 2,-0.2 -1,-0.2 0.868 110.0 45.2 -69.0 -35.2 21.4 44.1 50.4 31 45 A L H >< S+ 0 0 0 -4,-1.4 3,-1.3 -3,-0.3 6,-0.3 0.936 111.8 51.5 -71.3 -42.4 21.7 41.1 52.7 32 46 A L H 3< S+ 0 0 25 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.721 93.0 77.5 -69.6 -16.0 19.2 42.5 55.2 33 47 A A T 3< S+ 0 0 60 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.768 79.6 77.8 -65.3 -25.9 16.7 43.2 52.4 34 48 A H S X S- 0 0 28 -3,-1.3 3,-1.7 -4,-0.4 64,-0.0 -0.766 81.3-136.5 -89.7 134.6 15.7 39.5 52.3 35 49 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.709 99.7 60.3 -63.0 -25.1 13.3 38.5 55.1 36 50 A R T 3 S+ 0 0 34 1,-0.2 -33,-2.6 -34,-0.1 2,-1.6 0.707 86.0 82.6 -76.4 -19.1 15.1 35.2 55.9 37 51 A V E < +a 3 0A 1 -3,-1.7 -1,-0.2 -6,-0.3 -33,-0.1 -0.612 53.7 165.0 -89.9 92.6 18.3 37.1 56.7 38 52 A K E + 0 0 96 -2,-1.6 2,-0.3 -35,-1.2 -1,-0.2 0.794 60.3 21.2 -76.2 -31.1 17.5 38.0 60.3 39 53 A R E -a 4 0A 74 -36,-1.0 -34,-2.6 -3,-0.2 2,-0.4 -0.990 57.1-153.7-140.9 153.1 21.0 39.0 61.3 40 54 A V E -ac 5 60A 0 19,-2.5 21,-2.3 -2,-0.3 2,-0.5 -0.999 11.1-158.1-126.6 121.0 24.3 40.0 59.9 41 55 A V E -ac 6 61A 0 -36,-2.8 -34,-2.8 -2,-0.4 2,-0.5 -0.927 10.2-162.3 -96.1 122.5 27.5 39.2 61.8 42 56 A I E -ac 7 62A 0 19,-3.2 21,-2.1 -2,-0.5 2,-0.6 -0.929 10.1-144.6-109.4 123.6 30.4 41.5 60.7 43 57 A A E -ac 8 63A 0 -36,-2.7 -34,-1.4 -2,-0.5 2,-0.3 -0.845 27.1-179.7 -87.3 123.9 34.0 40.5 61.6 44 58 A I E c 0 64A 16 19,-2.5 21,-2.6 -2,-0.6 -34,-0.2 -0.907 360.0 360.0-125.4 145.6 36.0 43.6 62.4 45 59 A S 0 0 112 -36,-0.5 21,-0.1 -2,-0.3 19,-0.0 -0.748 360.0 360.0 -84.8 360.0 39.6 44.1 63.4 46 ! 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 47 63 A S >> 0 0 124 0, 0.0 3,-0.8 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 149.0 38.4 52.9 64.0 48 64 A R H >> + 0 0 107 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.844 360.0 57.2 -51.6 -47.5 36.4 53.4 60.8 49 65 A F H >4 S+ 0 0 11 1,-0.3 3,-0.9 2,-0.2 6,-0.5 0.856 98.0 61.6 -56.4 -41.8 33.7 50.9 61.5 50 66 A A H <4 S+ 0 0 73 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.814 97.6 56.7 -59.2 -27.8 32.7 52.5 64.8 51 67 A Q H << S+ 0 0 132 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.742 91.9 89.0 -78.7 -18.7 31.7 55.8 63.1 52 68 A L S X< S- 0 0 5 -3,-0.9 3,-0.8 -4,-0.7 4,-0.3 -0.427 84.6-124.1 -76.1 154.5 29.2 54.1 60.9 53 69 A P G > S+ 0 0 92 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.581 98.4 84.3 -74.6 -7.0 25.6 53.5 61.9 54 70 A L G > S+ 0 0 3 1,-0.2 3,-1.7 2,-0.2 6,-0.2 0.868 78.3 66.2 -60.2 -40.1 26.0 49.7 61.3 55 71 A A G < S+ 0 0 46 -3,-0.8 -1,-0.2 -6,-0.5 7,-0.1 0.859 107.0 38.5 -50.3 -39.7 27.5 49.3 64.8 56 72 A N G < S+ 0 0 153 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.272 85.0 124.5-101.5 15.5 24.2 50.2 66.5 57 73 A H X - 0 0 49 -3,-1.7 3,-1.6 -4,-0.2 -3,-0.0 -0.526 65.1-130.1 -76.7 142.8 21.8 48.5 64.1 58 74 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.720 106.1 45.7 -66.7 -16.9 19.5 46.0 65.8 59 75 A Q T 3 S+ 0 0 73 -20,-0.1 -19,-2.5 -5,-0.1 2,-0.6 0.408 95.1 92.9-104.9 2.0 20.3 43.2 63.3 60 76 A I E < -c 40 0A 13 -3,-1.6 2,-0.3 -21,-0.2 -19,-0.2 -0.867 49.4-174.7-108.7 125.1 24.0 43.7 63.3 61 77 A T E -c 41 0A 44 -21,-2.3 -19,-3.2 -2,-0.6 2,-0.4 -0.801 12.7-146.9-108.7 143.6 26.4 41.8 65.5 62 78 A V E +c 42 0A 68 -2,-0.3 2,-0.3 -21,-0.2 -19,-0.2 -0.885 18.6 172.6-112.7 139.2 30.2 42.4 65.6 63 79 A V E -c 43 0A 22 -21,-2.1 -19,-2.5 -2,-0.4 2,-0.3 -0.889 42.2 -90.4-132.9 164.2 32.8 39.7 66.2 64 80 A D E -c 44 0A 134 -2,-0.3 -19,-0.2 -21,-0.2 11,-0.1 -0.669 38.9-129.3 -80.6 141.3 36.6 40.1 66.1 65 81 A G - 0 0 20 -21,-2.6 2,-0.2 -2,-0.3 -21,-0.1 -0.350 27.2-144.3 -78.4 161.5 38.2 39.4 62.7 66 82 A G - 0 0 36 2,-0.4 6,-0.1 3,-0.1 -1,-0.1 -0.505 34.6 -70.6-118.3-168.7 41.1 36.9 62.6 67 83 A D S S+ 0 0 103 -2,-0.2 2,-0.3 4,-0.1 -2,-0.0 0.898 113.3 11.1 -51.0 -48.4 44.4 36.3 60.8 68 84 A E S > S- 0 0 90 1,-0.1 4,-2.0 0, 0.0 -2,-0.4 -0.801 88.2 -93.8-128.6 174.4 42.7 35.4 57.5 69 85 A R H > S+ 0 0 64 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.916 123.1 55.8 -47.6 -49.7 39.2 35.4 55.9 70 86 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 105.5 49.4 -52.8 -46.7 38.7 31.9 57.1 71 87 A D H > S+ 0 0 63 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.906 110.5 52.2 -60.9 -40.9 39.4 32.7 60.7 72 88 A S H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.861 107.4 51.3 -60.9 -44.8 37.0 35.6 60.5 73 89 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.923 107.7 51.8 -61.0 -44.2 34.2 33.4 59.1 74 90 A L H X S+ 0 0 29 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.903 108.5 52.0 -60.2 -36.4 34.6 30.9 61.9 75 91 A A H X S+ 0 0 24 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.929 109.0 50.6 -65.4 -37.5 34.3 33.8 64.4 76 92 A G H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.895 106.7 54.9 -64.5 -38.0 31.1 34.8 62.7 77 93 A L H >< S+ 0 0 2 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.887 100.0 59.9 -65.4 -32.1 29.8 31.2 62.9 78 94 A K H 3< S+ 0 0 185 -4,-1.7 -1,-0.3 1,-0.3 3,-0.3 0.724 108.5 46.1 -65.9 -20.5 30.4 31.4 66.7 79 95 A A T << S+ 0 0 20 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.383 85.3 98.5-101.4 5.1 27.9 34.3 66.7 80 96 A A X - 0 0 1 -3,-1.6 3,-1.9 -4,-0.3 -1,-0.2 0.415 65.9-158.8 -77.4 0.7 25.3 32.6 64.5 81 97 A G T 3 - 0 0 49 -3,-0.3 -1,-0.2 1,-0.2 -77,-0.0 -0.284 65.1 -23.8 64.4-138.4 22.9 31.4 67.2 82 98 A D T 3 S+ 0 0 140 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.372 91.1 145.0 -96.0 9.0 20.7 28.6 66.1 83 99 A A < - 0 0 6 -3,-1.9 -80,-0.1 1,-0.2 -3,-0.1 -0.186 34.4-165.0 -48.9 127.2 21.0 29.4 62.4 84 100 A Q S S+ 0 0 156 -82,-0.6 71,-3.1 71,-0.1 72,-0.4 0.730 75.6 36.6 -87.5 -24.3 20.9 26.2 60.4 85 101 A W E S-bD 3 154A 31 -83,-0.7 -81,-1.4 69,-0.3 2,-0.4 -0.969 72.5-156.1-128.0 144.1 22.2 27.9 57.2 86 102 A V E -bD 4 153A 0 67,-2.9 67,-2.4 -2,-0.3 2,-0.6 -0.989 6.2-151.8-125.5 139.5 24.7 30.7 56.9 87 103 A L E -bD 5 152A 0 -83,-1.8 -81,-2.7 -2,-0.4 2,-0.5 -0.925 12.0-164.9-103.8 118.6 25.3 33.3 54.1 88 104 A V E +bD 6 151A 0 63,-3.3 63,-2.4 -2,-0.6 2,-0.4 -0.856 16.1 174.4-107.7 127.3 28.9 34.5 53.7 89 105 A H - 0 0 0 -83,-2.3 2,-0.2 -2,-0.5 -2,-0.0 -0.994 33.5-105.4-138.8 144.1 29.3 37.7 51.6 90 106 A D > - 0 0 11 -2,-0.4 3,-1.4 1,-0.1 -81,-0.1 -0.403 17.7-140.8 -65.2 138.2 32.1 40.1 50.7 91 107 A A T 3 S+ 0 0 9 -83,-0.6 -64,-0.3 1,-0.3 -63,-0.2 0.737 102.3 56.8 -70.0 -21.6 32.1 43.5 52.4 92 108 A A T 3 S+ 0 0 11 1,-0.1 106,-3.1 -65,-0.1 -1,-0.3 0.153 81.9 90.1-103.4 27.7 33.1 45.0 49.1 93 109 A R < + 0 0 18 -3,-1.4 104,-0.2 104,-0.2 -1,-0.1 -0.789 43.2 164.1-121.5 90.1 30.3 43.7 46.9 94 110 A P + 0 0 4 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.573 56.0 75.3 -80.4 -14.7 27.6 46.4 47.1 95 111 A C + 0 0 5 101,-0.5 2,-0.4 99,-0.1 -68,-0.1 -0.858 52.8 143.4-108.2 97.2 25.5 45.3 44.1 96 112 A L - 0 0 18 -2,-0.8 2,-0.3 99,-0.1 3,-0.0 -0.990 37.4-142.2-130.6 129.7 23.4 42.3 44.9 97 113 A H > - 0 0 65 -2,-0.4 4,-2.6 1,-0.1 3,-0.2 -0.727 14.5-130.1 -93.6 146.9 19.9 41.9 43.5 98 114 A Q H > S+ 0 0 70 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.863 105.7 56.7 -64.4 -35.4 17.1 40.3 45.5 99 115 A D H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 110.2 44.8 -64.3 -39.0 16.0 37.9 42.9 100 116 A D H > S+ 0 0 9 -3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.922 114.4 49.3 -69.6 -42.7 19.6 36.4 42.7 101 117 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.961 110.9 50.5 -59.3 -44.0 19.8 36.3 46.5 102 118 A A H X S+ 0 0 42 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.901 108.3 52.3 -59.6 -41.6 16.4 34.6 46.6 103 119 A R H < S+ 0 0 115 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.888 110.8 47.1 -63.7 -37.7 17.5 32.0 44.1 104 120 A L H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.949 109.6 53.4 -66.9 -45.4 20.6 31.2 46.2 105 121 A L H >< S+ 0 0 2 -4,-2.8 3,-1.8 1,-0.3 4,-0.2 0.821 94.0 72.1 -61.9 -27.3 18.6 31.0 49.4 106 122 A A T >X S+ 0 0 51 -4,-1.6 3,-2.0 1,-0.3 4,-0.5 0.786 77.0 81.8 -60.8 -18.7 16.3 28.5 47.7 107 123 A L H X> S+ 0 0 17 -3,-1.9 4,-2.8 -4,-0.4 3,-0.8 0.719 75.0 71.3 -58.5 -26.4 19.1 25.9 47.9 108 124 A S H <4 S+ 0 0 22 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.749 94.3 56.0 -64.6 -21.0 18.2 25.2 51.6 109 125 A E H <4 S+ 0 0 129 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.713 125.4 16.4 -80.5 -24.4 15.1 23.4 50.3 110 126 A T H << S+ 0 0 119 -3,-0.8 2,-0.4 -4,-0.5 -2,-0.2 0.485 108.3 76.1-128.8 -11.9 17.0 21.0 48.0 111 127 A S < - 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0 0 25 -5,-2.9 2,-0.7 -6,-0.2 -1,-0.2 -0.549 35.3-122.3 -80.7 143.4 40.1 21.0 14.1 387 187 B T + 0 0 142 -2,-0.2 2,-0.3 6,-0.0 -1,-0.0 -0.837 43.9 169.9 -91.7 112.0 37.8 22.6 16.7 388 188 B I - 0 0 45 -2,-0.7 -102,-0.1 1,-0.1 3,-0.1 -0.864 26.2-176.9-119.9 163.7 38.8 26.2 17.0 389 189 B T + 0 0 74 1,-0.5 -1,-0.1 -2,-0.3 2,-0.1 0.578 69.2 14.9-122.8 -78.4 37.3 29.3 18.7 390 190 B D S > S- 0 0 12 1,-0.1 4,-1.0 -105,-0.0 -1,-0.5 -0.327 84.0-100.2 -95.6 178.3 39.3 32.5 18.1 391 191 B E H >> S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.875 122.2 60.3 -66.6 -33.2 42.0 33.2 15.5 392 192 B A H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.899 98.7 58.1 -61.3 -35.5 44.7 32.6 18.1 393 193 B S H 3> S+ 0 0 11 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.822 103.7 52.0 -62.9 -33.7 43.4 29.1 18.6 394 194 B A H S+ 0 0 0 -4,-1.8 5,-2.8 2,-0.2 -2,-0.2 0.892 112.2 50.5 -58.2 -43.1 47.6 29.6 15.3 396 196 B E H ><5S+ 0 0 29 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.946 105.8 55.4 -59.9 -46.1 48.0 27.5 18.4 397 197 B Y H 3<5S+ 0 0 96 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 106.0 52.9 -54.3 -36.8 46.6 24.5 16.5 398 198 B b T 3<5S- 0 0 20 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.360 129.5 -95.3 -81.9 2.1 49.4 25.0 13.9 399 199 B G T < 5S+ 0 0 52 -3,-2.3 -3,-0.2 1,-0.3 2,-0.2 0.505 82.3 126.3 98.8 10.4 52.1 25.0 16.6 400 200 B F < - 0 0 72 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.0 -0.522 49.1-146.4-102.4 167.6 52.5 28.7 17.3 401 201 B H - 0 0 78 -2,-0.2 -72,-0.1 -71,-0.0 -71,-0.1 -0.690 20.0-155.9-132.9 78.9 52.3 30.9 20.5 402 202 B P - 0 0 0 0, 0.0 -267,-2.7 0, 0.0 -71,-0.3 -0.155 25.7-100.2 -56.3 150.1 50.9 34.3 19.9 403 203 B Q E -Ms 134 331C 65 -73,-2.6 -71,-2.4 -269,-0.2 2,-0.6 -0.293 22.9-133.1 -71.2 148.4 51.8 37.2 22.2 404 204 B L E - s 0 332C 7 -271,-2.8 2,-0.7 -73,-0.2 -71,-0.2 -0.933 20.5-167.8-100.9 112.0 49.4 38.4 24.9 405 205 B V E - s 0 333C 15 -73,-2.9 -71,-2.2 -2,-0.6 2,-0.2 -0.956 25.4-124.2-102.5 115.5 49.2 42.2 24.8 406 206 B E E + s 0 334C 104 -2,-0.7 2,-0.2 -73,-0.2 -71,-0.2 -0.416 38.5 175.4 -66.4 127.4 47.5 43.4 27.9 407 207 B G - 0 0 7 -73,-2.6 2,-0.1 -2,-0.2 -95,-0.0 -0.761 39.0 -71.1-123.6 170.9 44.4 45.5 27.1 408 208 B R > - 0 0 95 -2,-0.2 3,-1.2 1,-0.1 -95,-0.1 -0.378 33.5-137.7 -64.3 139.5 41.7 47.2 29.1 409 209 B A T 3 S+ 0 0 76 1,-0.3 -1,-0.1 -2,-0.1 -74,-0.1 0.665 97.9 73.2 -72.3 -13.9 39.2 44.8 30.6 410 210 B D T 3 + 0 0 27 1,-0.2 2,-2.1 -99,-0.1 -1,-0.3 0.421 64.4 101.5 -83.1 8.6 36.3 47.2 29.6 411 211 B N < + 0 0 1 -3,-1.2 -46,-0.2 -101,-0.1 -1,-0.2 -0.414 65.4 173.0 -85.2 67.3 36.8 46.0 26.0 412 212 B I - 0 0 30 -2,-2.1 2,-0.5 -48,-0.1 -101,-0.5 -0.337 35.7-122.7 -82.7 160.5 33.7 43.8 26.5 413 213 B K - 0 0 79 -104,-0.2 2,-0.8 -103,-0.1 -104,-0.2 -0.868 20.1-135.7-100.1 129.8 31.7 41.7 24.1 414 214 B V + 0 0 1 -106,-2.9 -187,-0.5 -2,-0.5 -105,-0.0 -0.707 50.3 137.3 -86.2 105.0 28.0 42.4 23.9 415 215 B T + 0 0 53 -2,-0.8 -1,-0.2 1,-0.2 -187,-0.0 0.588 59.5 42.1-122.3 -20.6 26.3 39.0 23.9 416 216 B R S >> S- 0 0 54 1,-0.1 3,-1.6 -189,-0.0 4,-0.5 -0.874 88.7-103.2-126.2 161.2 23.3 39.4 26.3 417 217 B P H >> S+ 0 0 100 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.821 117.8 55.1 -56.5 -31.8 20.7 42.2 26.7 418 218 B E H 3> S+ 0 0 107 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.727 93.4 70.8 -76.1 -19.2 22.3 43.5 29.9 419 219 B D H <> S+ 0 0 29 -3,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.757 86.8 68.1 -66.8 -24.9 25.6 44.0 28.2 420 220 B L H