==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-NOV-10 2XWN . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRAN . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.BJORKELID,T.BERGFORS,T.UNGE,T.A.JONES . 448 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 10.9 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 2 4 0 2 3 3 0 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 4 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 . 2 8 1 3 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 . 2 0 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 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 5 A A 0 0 113 0, 0.0 3,-0.1 0, 0.0 94,-0.0 0.000 360.0 360.0 360.0 72.3 9.0 14.2 -8.4 2 6 A G + 0 0 32 1,-0.4 2,-0.2 0, 0.0 120,-0.0 -0.067 360.0 123.1 112.5 -24.4 6.4 13.0 -5.9 3 7 A E - 0 0 85 44,-0.1 95,-2.3 45,-0.0 2,-0.5 -0.452 50.6-150.4 -87.4 142.3 8.4 9.9 -5.5 4 8 A V E -a 98 0A 0 -2,-0.2 44,-2.0 93,-0.2 45,-1.3 -0.918 10.5-174.2-110.0 126.3 9.8 8.5 -2.2 5 9 A V E -ab 99 49A 6 93,-1.9 95,-2.5 -2,-0.5 2,-0.5 -0.985 13.1-149.5-119.9 133.1 12.9 6.4 -2.0 6 10 A A E -ab 100 50A 0 43,-2.9 45,-3.4 -2,-0.4 2,-0.5 -0.891 2.2-155.0-109.6 124.2 14.0 4.8 1.3 7 11 A I E -ab 101 51A 0 93,-4.3 95,-3.1 -2,-0.5 45,-0.2 -0.845 9.5-163.7 -94.2 128.7 17.6 4.1 2.3 8 12 A V E - b 0 52A 0 43,-3.2 45,-2.2 -2,-0.5 2,-0.4 -0.863 7.6-152.0-116.2 96.2 17.9 1.3 4.8 9 13 A P E + b 0 53A 13 0, 0.0 95,-1.9 0, 0.0 96,-0.3 -0.536 38.3 143.7 -64.6 122.6 21.3 1.2 6.6 10 14 A A + 0 0 6 43,-2.3 14,-0.2 -2,-0.4 15,-0.1 0.055 34.1 106.0-148.4 25.6 21.8 -2.4 7.6 11 15 A A + 0 0 18 43,-0.3 43,-0.1 68,-0.1 45,-0.1 0.313 51.9 110.7 -94.7 5.3 25.6 -2.7 7.1 12 16 A G - 0 0 48 1,-0.1 12,-0.5 43,-0.1 66,-0.0 -0.412 64.1-141.2 -75.3 159.2 26.4 -2.8 10.9 13 17 A S - 0 0 72 9,-0.2 10,-0.3 10,-0.1 -1,-0.1 0.581 32.8-126.0 -97.4 -13.2 27.7 -5.9 12.6 14 18 A G >> + 0 0 18 8,-0.2 4,-1.3 4,-0.1 3,-0.6 0.966 37.5 173.7 67.4 56.2 25.7 -5.5 15.8 15 19 A E G >4 S+ 0 0 161 1,-0.2 3,-0.6 2,-0.2 193,-0.0 0.937 76.2 49.4 -52.8 -55.3 28.5 -5.8 18.4 16 20 A R G 34 S+ 0 0 163 1,-0.2 194,-0.4 2,-0.1 -1,-0.2 0.557 109.4 51.9 -71.8 -11.3 26.3 -4.9 21.4 17 21 A L G <4 S- 0 0 2 -3,-0.6 -1,-0.2 192,-0.2 -2,-0.2 0.713 85.7-162.9 -95.2 -26.4 23.6 -7.5 20.5 18 22 A A << + 0 0 67 -4,-1.3 -3,-0.1 -3,-0.6 -4,-0.1 0.892 32.3 146.5 46.2 66.1 26.2 -10.4 20.2 19 23 A V - 0 0 39 2,-0.5 2,-0.5 -5,-0.4 -1,-0.1 0.052 64.8-111.9-123.5 22.0 24.0 -12.8 18.2 20 24 A G S S+ 0 0 91 1,-0.1 -2,-0.0 6,-0.0 3,-0.0 0.129 97.8 71.4 76.9 -25.2 26.7 -14.6 16.0 21 25 A V S S- 0 0 37 -2,-0.5 -2,-0.5 -7,-0.1 2,-0.2 -0.872 102.7 -89.0-117.2 149.5 25.2 -13.0 12.9 22 26 A P > - 0 0 20 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.492 51.8-110.1 -60.9 135.6 25.4 -9.3 11.9 23 27 A K G > S+ 0 0 28 -10,-0.3 3,-2.2 1,-0.3 10,-0.3 0.705 111.2 56.1 -45.2 -49.4 22.4 -7.7 13.5 24 28 A A G 3 S+ 0 0 6 -12,-0.5 10,-2.2 1,-0.3 9,-0.6 0.806 107.3 52.2 -54.6 -32.8 20.2 -6.9 10.4 25 29 A F G < S+ 0 0 9 -3,-2.2 -1,-0.3 8,-0.2 2,-0.3 0.380 80.3 120.9 -89.7 3.2 20.4 -10.6 9.3 26 30 A Y < - 0 0 46 -3,-2.2 7,-1.4 -4,-0.3 2,-0.4 -0.519 64.5-127.1 -66.2 129.0 19.2 -11.9 12.7 27 31 A Q E -K 32 0B 124 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.655 23.9-172.4 -78.3 131.0 16.0 -13.9 12.4 28 32 A L E > S-K 31 0B 0 3,-2.8 3,-0.7 -2,-0.4 8,-0.0 -0.934 73.8 -28.6-126.6 105.1 13.1 -12.9 14.6 29 33 A D T 3 S- 0 0 89 -2,-0.5 2,-1.0 1,-0.3 -1,-0.1 0.932 127.5 -43.9 57.1 51.3 10.2 -15.3 14.4 30 34 A G T 3 S+ 0 0 52 1,-0.1 2,-0.3 0, 0.0 -1,-0.3 -0.472 125.2 81.5 97.3 -62.6 10.9 -16.4 10.9 31 35 A Q E < S-K 28 0B 63 -2,-1.0 -3,-2.8 -3,-0.7 -1,-0.1 -0.596 76.5-124.4 -84.1 137.5 11.7 -13.0 9.2 32 36 A T E > -K 27 0B 10 -2,-0.3 4,-2.2 -5,-0.3 -5,-0.2 -0.266 28.0-109.7 -66.9 162.8 15.1 -11.3 9.4 33 37 A L H > S+ 0 0 0 -7,-1.4 4,-3.2 -9,-0.6 -8,-0.2 0.888 118.9 54.7 -64.2 -41.3 15.2 -7.8 10.7 34 38 A I H > S+ 0 0 0 -10,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.908 109.3 47.4 -59.1 -43.0 16.1 -6.4 7.3 35 39 A E H > S+ 0 0 40 -11,-0.3 4,-3.1 2,-0.2 5,-0.2 0.928 113.1 48.1 -64.7 -43.9 13.0 -8.1 5.8 36 40 A R H X S+ 0 0 32 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.948 112.4 49.3 -60.4 -49.0 10.8 -6.7 8.6 37 41 A A H X S+ 0 0 1 -4,-3.2 4,-1.5 67,-0.2 -2,-0.2 0.936 113.9 45.9 -54.6 -51.6 12.3 -3.2 8.2 38 42 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-0.5 0.929 111.9 49.7 -59.5 -51.3 11.7 -3.4 4.4 39 43 A D H X S+ 0 0 33 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.837 106.4 58.9 -54.4 -34.6 8.2 -4.7 4.7 40 44 A G H < S+ 0 0 10 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.888 109.6 42.7 -65.5 -39.2 7.5 -1.9 7.2 41 45 A L H ><>S+ 0 0 0 -4,-1.5 3,-1.4 -3,-0.5 5,-0.5 0.956 115.2 46.8 -70.7 -54.1 8.4 0.7 4.6 42 46 A L H ><5S+ 0 0 52 -4,-2.4 3,-2.4 1,-0.3 5,-0.4 0.896 105.0 61.0 -56.4 -44.2 6.6 -0.9 1.6 43 47 A D T 3<5S+ 0 0 113 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.632 85.9 75.8 -62.5 -14.5 3.3 -1.5 3.6 44 48 A S T < 5S- 0 0 17 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.717 96.6-140.1 -65.7 -18.4 3.0 2.2 4.2 45 49 A G T < 5S+ 0 0 69 -3,-2.4 -2,-0.1 -4,-0.3 -3,-0.1 0.593 85.3 82.4 68.0 12.5 1.9 2.3 0.5 46 50 A V < + 0 0 29 -5,-0.5 2,-0.5 -4,-0.1 -4,-0.1 0.149 62.7 92.0-134.7 15.9 3.9 5.5 0.1 47 51 A V - 0 0 14 -5,-0.4 -42,-0.2 -6,-0.2 -2,-0.1 -0.968 47.7-174.3-112.5 120.8 7.4 4.2 -0.6 48 52 A D + 0 0 89 -44,-2.0 2,-0.3 -2,-0.5 -43,-0.2 0.853 68.0 10.7 -83.8 -34.7 8.2 3.7 -4.2 49 53 A T E -b 5 0A 60 -45,-1.3 -43,-2.9 2,-0.0 2,-0.5 -1.000 60.3-148.8-148.5 145.7 11.7 2.1 -3.9 50 54 A V E -b 6 0A 2 -2,-0.3 21,-2.3 -45,-0.2 2,-0.5 -0.956 5.4-167.1-117.5 128.6 13.9 0.7 -1.2 51 55 A V E -bc 7 71A 1 -45,-3.4 -43,-3.2 -2,-0.5 2,-0.5 -0.974 10.3-165.5-111.9 123.4 17.7 0.7 -1.2 52 56 A V E -bc 8 72A 0 19,-2.9 21,-1.9 -2,-0.5 2,-0.6 -0.928 6.9-156.2-110.3 127.5 19.2 -1.5 1.4 53 57 A A E +bc 9 73A 0 -45,-2.2 -43,-2.3 -2,-0.5 21,-0.2 -0.929 24.4 169.5-106.0 113.3 22.9 -1.2 2.3 54 58 A V E - c 0 74A 0 19,-2.4 21,-2.4 -2,-0.6 -43,-0.3 -0.667 44.0 -68.8-117.7 168.2 24.3 -4.4 3.7 55 59 A P > - 0 0 21 0, 0.0 3,-3.0 0, 0.0 4,-0.4 -0.338 51.2-112.4 -60.4 142.9 27.9 -5.7 4.6 56 60 A A G > S+ 0 0 74 1,-0.3 3,-0.6 19,-0.2 18,-0.1 0.768 116.2 49.6 -47.0 -37.6 30.0 -6.3 1.5 57 61 A D G 3 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.388 105.2 57.7 -84.9 2.0 30.0 -10.1 2.0 58 62 A R G <> + 0 0 56 -3,-3.0 4,-2.9 1,-0.1 5,-0.2 0.319 68.2 110.2-116.5 4.6 26.2 -10.4 2.4 59 63 A T H <> S+ 0 0 48 -3,-0.6 4,-1.8 -4,-0.4 -1,-0.1 0.861 83.4 43.3 -40.0 -50.2 25.2 -8.8 -0.9 60 64 A D H > S+ 0 0 124 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.945 112.3 51.2 -69.4 -48.2 24.0 -12.2 -2.2 61 65 A E H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.915 109.1 51.8 -56.0 -46.9 22.2 -13.3 1.0 62 66 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.4 0.929 109.7 49.9 -53.3 -49.9 20.3 -10.0 1.1 63 67 A R H X S+ 0 0 146 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.891 110.7 49.5 -56.6 -45.6 19.2 -10.5 -2.5 64 68 A Q H < S+ 0 0 168 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.929 116.2 42.9 -58.4 -47.3 18.0 -14.0 -1.7 65 69 A I H < S+ 0 0 37 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.955 125.2 30.2 -63.9 -53.7 16.1 -12.8 1.3 66 70 A L H >< S+ 0 0 2 -4,-3.3 3,-1.5 1,-0.2 2,-0.3 0.727 81.0 178.7 -89.3 -24.2 14.5 -9.7 -0.2 67 71 A G T 3< - 0 0 35 -4,-2.4 3,-0.5 -5,-0.4 -1,-0.2 -0.412 68.1 -9.2 62.1-118.3 14.2 -10.6 -3.8 68 72 A H T 3 S+ 0 0 178 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.337 116.5 81.4 -98.0 2.1 12.6 -7.9 -5.9 69 73 A R S < S+ 0 0 57 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.341 96.5 27.8 -99.4 11.6 11.5 -5.6 -3.2 70 74 A A - 0 0 8 -3,-0.5 -19,-0.2 -21,-0.1 2,-0.2 -0.869 68.3-126.6-167.3 136.1 14.9 -3.8 -2.6 71 75 A M E -c 51 0A 93 -21,-2.3 -19,-2.9 -2,-0.3 2,-0.4 -0.536 32.7-136.5 -70.3 146.6 18.1 -2.9 -4.4 72 76 A I E +c 52 0A 29 -2,-0.2 2,-0.3 -21,-0.2 -19,-0.2 -0.874 26.3 168.6-111.7 138.0 21.2 -4.0 -2.7 73 77 A V E -c 53 0A 29 -21,-1.9 -19,-2.4 -2,-0.4 2,-0.2 -0.987 38.2-105.3-138.5 152.8 24.5 -2.1 -2.1 74 78 A A E -c 54 0A 43 -2,-0.3 2,-0.1 -21,-0.2 -63,-0.1 -0.523 38.1-139.7 -68.5 139.9 27.6 -2.7 0.0 75 79 A G - 0 0 16 -21,-2.4 -19,-0.2 -2,-0.2 2,-0.1 -0.327 13.8-115.5 -90.9-179.1 27.8 -0.5 3.1 76 80 A G - 0 0 26 2,-0.4 -1,-0.1 -2,-0.1 6,-0.1 -0.330 36.7 -84.8-107.9-169.3 30.8 1.2 4.7 77 81 A S S S+ 0 0 117 -2,-0.1 2,-0.3 -65,-0.0 3,-0.0 0.492 110.6 23.1 -83.9 -5.5 32.8 0.9 7.9 78 82 A N S > S- 0 0 45 -66,-0.0 4,-1.9 1,-0.0 -2,-0.4 -0.936 90.9 -98.4-145.0 174.9 30.4 3.3 9.8 79 83 A R H > S+ 0 0 38 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.865 119.9 52.1 -63.5 -37.3 26.8 4.4 9.4 80 84 A T H > S+ 0 0 28 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.955 108.3 49.8 -64.3 -51.5 27.7 7.6 7.7 81 85 A D H > S+ 0 0 64 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.884 111.3 52.5 -50.1 -44.2 29.8 6.0 5.1 82 86 A T H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.941 110.4 43.8 -60.3 -53.1 27.0 3.6 4.5 83 87 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.914 113.6 54.5 -62.1 -39.1 24.3 6.3 4.0 84 88 A N H X S+ 0 0 54 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.949 108.8 46.3 -56.8 -51.0 26.9 8.1 1.8 85 89 A L H X S+ 0 0 80 -4,-2.9 4,-0.6 1,-0.2 3,-0.4 0.892 112.6 50.8 -59.3 -40.9 27.4 5.0 -0.4 86 90 A A H >X S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-0.6 0.876 102.2 60.6 -65.9 -38.1 23.6 4.5 -0.7 87 91 A L H >< S+ 0 0 6 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.814 90.5 70.9 -59.0 -32.6 23.1 8.1 -1.7 88 92 A T H >< S+ 0 0 93 -4,-1.2 3,-0.9 -3,-0.4 -1,-0.3 0.858 92.4 57.5 -48.4 -42.9 25.3 7.5 -4.8 89 93 A V H << S+ 0 0 61 -3,-1.1 2,-0.4 -4,-0.6 -1,-0.3 0.844 99.3 59.6 -60.1 -34.9 22.5 5.4 -6.2 90 94 A L T << S+ 0 0 12 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.1 -0.086 86.4 124.7 -89.0 37.5 20.0 8.3 -6.0 91 95 A S X - 0 0 63 -3,-0.9 3,-0.6 -2,-0.4 -3,-0.0 -0.394 49.3 -10.2-101.0 175.5 22.0 10.7 -8.3 92 96 A G T 3 S+ 0 0 47 1,-0.2 2,-2.3 -2,-0.1 -1,-0.1 0.789 103.8 14.1 5.7 154.5 21.5 12.8 -11.5 93 97 A T T 3 S+ 0 0 167 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 -0.421 131.7 30.9 68.4 -60.8 18.8 13.1 -14.2 94 98 A A S < S+ 0 0 78 -2,-2.3 -1,-0.2 -3,-0.6 -2,-0.1 -0.154 77.4 158.5-124.1 38.1 16.1 11.2 -12.4 95 99 A E - 0 0 78 1,-0.1 -4,-0.1 2,-0.0 -5,-0.1 -0.334 43.3-113.3 -65.5 141.3 16.6 11.8 -8.7 96 100 A P - 0 0 5 0, 0.0 71,-0.2 0, 0.0 72,-0.1 -0.362 15.0-127.0 -72.0 156.2 13.5 11.3 -6.5 97 101 A E S S+ 0 0 87 -94,-0.3 70,-3.1 70,-0.1 71,-0.3 0.937 90.3 38.8 -64.6 -43.5 11.9 14.3 -4.8 98 102 A F E -aD 4 166A 7 -95,-2.3 -93,-1.9 68,-0.3 2,-0.4 -0.824 60.9-166.9-119.4 144.7 12.1 12.6 -1.3 99 103 A V E -aD 5 165A 0 66,-3.0 66,-2.8 -2,-0.3 2,-0.4 -0.989 4.2-163.8-125.0 137.8 14.5 10.3 0.6 100 104 A L E -aD 6 164A 0 -95,-2.5 -93,-4.3 -2,-0.4 2,-0.5 -0.947 5.0-158.0-111.7 141.2 13.8 8.4 3.8 101 105 A V E +aD 7 163A 0 62,-2.6 62,-2.4 -2,-0.4 2,-0.4 -0.989 18.5 178.6-115.0 125.4 16.6 7.0 5.9 102 106 A H - 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0 0 6 1,-0.1 4,-0.6 -3,-0.1 3,-0.4 -0.841 57.9-166.7-106.7 122.4 13.4 14.7 39.4 412 193 B D H > S+ 0 0 0 -2,-0.6 4,-1.1 1,-0.2 3,-0.5 0.806 86.7 60.8 -74.3 -32.7 14.5 15.2 43.0 413 194 B A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.795 93.4 68.6 -68.3 -25.9 18.2 16.0 42.2 414 195 B S H > S+ 0 0 15 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.909 98.0 50.1 -53.6 -48.5 16.9 19.0 40.2 415 196 B L H X S+ 0 0 8 -4,-0.6 4,-1.1 -3,-0.5 -1,-0.2 0.870 109.4 50.6 -61.1 -39.4 15.7 20.7 43.5 416 197 B V H <>S+ 0 0 0 -4,-1.1 5,-2.8 1,-0.2 3,-0.3 0.902 112.0 48.0 -65.8 -41.1 19.1 20.1 45.1 417 198 B E H ><5S+ 0 0 43 -4,-2.4 3,-2.4 3,-0.2 -2,-0.2 0.876 101.4 64.6 -62.4 -41.5 20.8 21.7 42.0 418 199 B H H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.860 107.6 42.8 -50.3 -37.5 18.4 24.6 42.2 419 200 B I T 3<5S- 0 0 61 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.150 127.2 -98.1-101.6 19.2 19.9 25.5 45.5 420 201 B G T < 5 + 0 0 68 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.578 69.4 153.2 81.8 11.6 23.5 24.9 44.4 421 202 B G < - 0 0 19 -5,-2.8 2,-0.7 -6,-0.2 -1,-0.2 -0.332 45.6-119.5 -66.8 154.9 23.9 21.4 45.8 422 203 B Q - 0 0 121 -2,-0.0 -72,-0.7 -276,-0.0 2,-0.4 -0.873 24.2-156.6-107.5 112.8 26.5 19.1 44.1 423 204 B V E - t 0 350C 1 -2,-0.7 -276,-2.9 -276,-0.3 2,-0.3 -0.722 5.6-155.4 -93.4 127.5 25.0 15.9 42.7 424 205 B Q E -Nt 146 351C 18 -74,-3.4 -72,-2.3 -2,-0.4 2,-0.3 -0.710 10.1-133.8-101.4 157.2 27.3 12.9 42.1 425 206 B V E + t 0 352C 22 -280,-1.6 2,-0.3 -2,-0.3 -43,-0.0 -0.847 20.4 177.7-116.1 139.2 26.7 10.1 39.6 426 207 B V E - t 0 353C 28 -74,-2.3 -72,-2.6 -2,-0.3 2,-0.1 -0.943 46.2 -76.7-131.6 161.2 26.9 6.3 39.9 427 208 B D E - t 0 354C 122 -2,-0.3 -72,-0.2 -74,-0.2 -88,-0.1 -0.345 46.8-157.6 -57.9 125.5 26.2 3.5 37.3 428 209 B G - 0 0 6 -74,-3.2 -74,-0.1 -47,-0.1 -73,-0.1 0.179 14.1-121.7 -75.5-154.0 22.5 2.9 36.9 429 210 B D > - 0 0 40 -76,-0.1 3,-2.3 1,-0.1 -74,-0.1 -0.922 9.0-130.1-158.8 132.9 21.1 -0.3 35.6 430 211 B P G > S+ 0 0 75 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.819 107.9 64.1 -52.8 -32.2 18.9 -1.1 32.5 431 212 B L G 3 S+ 0 0 58 1,-0.3 -100,-0.4 -100,-0.1 16,-0.0 0.653 87.6 72.2 -67.0 -15.5 16.5 -3.1 34.8 432 213 B A G < S+ 0 0 0 -3,-2.3 -48,-0.4 -100,-0.1 -1,-0.3 0.044 70.1 139.8 -90.0 26.8 15.7 0.1 36.7 433 214 B F < - 0 0 28 -3,-0.9 2,-0.5 1,-0.1 -102,-0.4 -0.342 59.2-107.7 -71.1 153.4 13.6 1.5 33.8 434 215 B K - 0 0 22 -105,-0.2 2,-0.9 -104,-0.1 -105,-0.2 -0.717 22.9-133.1 -85.5 122.1 10.4 3.3 34.6 435 216 B I + 0 0 0 -107,-1.6 -195,-0.1 -2,-0.5 3,-0.1 -0.691 52.6 140.2 -75.2 107.2 7.3 1.4 33.6 436 217 B T + 0 0 5 -2,-0.9 2,-0.2 1,-0.3 -1,-0.2 0.763 54.4 27.3-116.8 -52.1 5.3 4.1 31.8 437 218 B T S >> S- 0 0 44 -197,-0.1 4,-2.2 1,-0.0 3,-0.9 -0.658 86.9 -95.6-116.5 169.5 3.5 2.7 28.7 438 219 B K H 3> S+ 0 0 124 -199,-0.4 4,-2.2 1,-0.3 5,-0.1 0.794 125.0 59.4 -52.5 -31.5 2.1 -0.7 27.6 439 220 B L H 3> S+ 0 0 30 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.882 105.1 47.2 -67.9 -40.0 5.4 -1.2 25.9 440 221 B D H <> S+ 0 0 34 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.932 110.3 54.1 -62.9 -46.9 7.3 -0.9 29.2 441 222 B L H X S+ 0 0 12 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.881 105.9 52.7 -52.9 -43.9 4.8 -3.3 30.7 442 223 B L H X S+ 0 0 43 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.896 108.5 48.9 -62.0 -43.8 5.5 -5.9 28.0 443 224 B L H X S+ 0 0 20 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.921 111.8 50.6 -62.2 -42.4 9.2 -5.8 28.7 444 225 B A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.957 110.4 48.1 -58.5 -52.7 8.6 -6.1 32.4 445 226 B Q H X S+ 0 0 56 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.928 112.7 49.8 -52.8 -48.7 6.3 -9.2 31.9 446 227 B A H X S+ 0 0 15 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.895 110.5 50.4 -57.0 -42.6 9.0 -10.6 29.6 447 228 B I H < S+ 0 0 40 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.867 119.0 35.2 -66.6 -38.1 11.7 -10.0 32.2 448 229 B V H < S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.737 108.7 61.5 -92.2 -25.9 9.7 -11.7 35.1 449 230 B H H < 0 0 117 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.594 360.0 360.0 -75.2 -11.7 8.0 -14.5 33.3 450 231 B H < 0 0 187 -4,-0.6 -4,-0.0 -5,-0.2 0, 0.0 -0.810 360.0 360.0 -91.6 360.0 11.4 -15.9 32.3