==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 06-JUL-01 1H7E . COMPND 2 MOLECULE: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.JELAKOVIC,G.E.SCHULZ . 486 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 11.5 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 . 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 . 32 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 2 4 0 0 3 1 2 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 . 4 2 0 4 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 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 1 A S 0 0 91 0, 0.0 2,-0.4 0, 0.0 114,-0.0 0.000 360.0 360.0 360.0 96.8 39.1 100.8 68.3 2 2 A K - 0 0 71 41,-0.1 88,-2.6 42,-0.0 89,-2.1 -0.713 360.0-169.2 -87.9 132.6 35.6 102.0 69.5 3 3 A A E -a 91 0A 0 39,-0.4 41,-2.5 -2,-0.4 42,-0.7 -0.952 4.5-172.0-122.8 141.7 33.2 99.3 70.7 4 4 A V E -ab 92 45A 0 87,-2.3 89,-2.6 -2,-0.4 2,-0.5 -0.948 17.8-135.3-130.5 151.1 29.6 99.6 71.4 5 5 A I E -ab 93 46A 0 40,-2.3 42,-2.9 -2,-0.3 2,-0.5 -0.928 17.5-165.8-106.5 129.8 27.1 97.2 72.9 6 6 A V E -ab 94 47A 0 87,-3.3 89,-2.2 -2,-0.5 42,-0.2 -0.974 2.9-162.8-117.0 128.2 23.6 96.9 71.3 7 7 A I E - b 0 48A 0 40,-3.0 42,-2.2 -2,-0.5 2,-0.3 -0.932 11.4-147.3-113.9 105.2 20.8 95.2 73.2 8 8 A P E + b 0 49A 21 0, 0.0 89,-0.9 0, 0.0 2,-0.3 -0.597 22.8 176.8 -70.0 128.4 17.9 94.1 70.9 9 9 A A + 0 0 4 40,-2.9 2,-0.4 -2,-0.3 43,-0.3 -0.681 5.4 176.2-141.0 84.7 14.7 94.4 73.0 10 10 A R - 0 0 110 -2,-0.3 9,-0.2 40,-0.2 8,-0.1 -0.771 20.2-151.6 -93.2 131.0 11.5 93.6 71.2 11 11 A Y S S+ 0 0 52 -2,-0.4 7,-1.5 8,-0.1 8,-1.0 0.979 70.5 84.4 -59.8 -63.8 8.3 93.7 73.4 12 12 A G + 0 0 57 5,-0.2 2,-0.3 6,-0.2 -2,-0.1 -0.194 50.3 148.6 -52.4 123.8 6.1 91.2 71.5 13 13 A S - 0 0 48 1,-0.1 3,-0.1 6,-0.0 5,-0.0 -0.962 43.6-132.2-155.8 143.5 6.7 87.6 72.4 14 14 A S S S+ 0 0 119 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.972 102.1 28.2 -65.3 -61.0 4.3 84.6 72.4 15 15 A R S S+ 0 0 168 1,-0.2 -1,-0.2 210,-0.1 210,-0.0 0.311 134.2 32.5 -88.3 8.5 4.8 82.9 75.8 16 16 A L S > S- 0 0 23 -3,-0.1 3,-1.2 -5,-0.1 -1,-0.2 -0.385 76.8-159.3-162.1 72.1 5.9 86.1 77.6 17 17 A P T 3 S+ 0 0 97 0, 0.0 -5,-0.2 0, 0.0 -3,-0.1 -0.389 83.9 13.3 -61.7 121.5 4.2 89.4 76.3 18 18 A G T > S+ 0 0 4 -7,-1.5 3,-1.5 -2,-0.2 4,-0.3 0.821 81.0 169.4 79.9 35.7 6.3 92.4 77.2 19 19 A K G X + 0 0 30 -3,-1.2 3,-1.6 -8,-1.0 10,-0.3 0.832 68.1 53.3 -49.1 -47.8 9.3 90.3 78.1 20 20 A P G 3 S+ 0 0 5 0, 0.0 10,-3.2 0, 0.0 11,-0.3 0.740 107.7 54.5 -66.4 -15.9 11.9 93.1 78.5 21 21 A L G < S+ 0 0 54 -3,-1.5 -2,-0.2 7,-0.2 -10,-0.0 0.398 78.9 123.3 -96.7 2.9 9.6 94.9 80.9 22 22 A L < - 0 0 42 -3,-1.6 7,-2.0 -4,-0.3 2,-0.4 -0.344 66.2-110.5 -64.1 145.9 9.1 92.0 83.3 23 23 A D E +J 28 0B 77 5,-0.2 2,-0.4 6,-0.1 -1,-0.1 -0.618 35.7 173.7 -86.7 133.3 10.1 92.7 86.9 24 24 A I E > S-J 27 0B 0 3,-2.4 3,-1.6 -2,-0.4 8,-0.1 -0.966 78.7 -25.4-136.1 112.8 13.1 91.1 88.6 25 25 A V T 3 S- 0 0 57 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 0.870 128.2 -45.5 47.1 47.1 13.8 92.5 92.1 26 26 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.484 121.8 89.2 82.5 2.8 12.1 95.8 91.4 27 27 A K E < S-J 24 0B 68 -3,-1.6 -3,-2.4 -5,-0.1 -1,-0.2 -0.964 81.4-103.8-131.1 148.3 13.6 96.6 88.0 28 28 A P E >> -J 23 0B 36 0, 0.0 4,-1.3 0, 0.0 3,-0.9 -0.376 36.6-115.0 -66.3 152.2 12.4 95.8 84.4 29 29 A M H 3> S+ 0 0 0 -7,-2.0 4,-1.7 -10,-0.3 3,-0.5 0.910 116.1 58.6 -54.6 -43.3 14.5 92.9 82.9 30 30 A I H 3> S+ 0 0 0 -10,-3.2 4,-2.2 1,-0.2 -1,-0.3 0.833 101.6 56.5 -57.2 -30.6 15.8 95.3 80.2 31 31 A Q H <> S+ 0 0 36 -3,-0.9 4,-3.3 -11,-0.3 -1,-0.2 0.903 103.0 52.9 -70.0 -38.9 17.3 97.5 83.0 32 32 A H H X S+ 0 0 13 -4,-1.3 4,-2.1 -3,-0.5 -1,-0.2 0.900 111.6 46.3 -62.0 -41.7 19.3 94.6 84.5 33 33 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.924 113.5 49.0 -66.4 -43.7 20.9 93.8 81.2 34 34 A Y H X S+ 0 0 20 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.936 110.7 50.4 -60.5 -47.9 21.6 97.5 80.6 35 35 A E H X S+ 0 0 59 -4,-3.3 4,-0.6 1,-0.2 -1,-0.2 0.880 112.3 46.2 -60.9 -40.0 23.2 97.9 84.0 36 36 A R H >< S+ 0 0 35 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.903 108.5 56.6 -69.8 -36.5 25.4 94.9 83.5 37 37 A A H >< S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.866 100.4 59.2 -60.9 -35.5 26.4 96.1 80.0 38 38 A L H 3< S+ 0 0 106 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.740 96.9 62.1 -65.5 -23.2 27.6 99.4 81.6 39 39 A Q T << S+ 0 0 110 -3,-1.2 2,-0.6 -4,-0.6 -1,-0.3 0.445 77.4 107.9 -82.1 -2.4 30.1 97.4 83.7 40 40 A V X - 0 0 7 -3,-1.6 3,-1.0 -4,-0.2 65,-0.1 -0.685 68.3-135.1 -82.5 117.3 31.9 96.2 80.7 41 41 A A T 3 S+ 0 0 65 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.356 84.0 30.9 -68.8 150.0 35.3 97.9 80.4 42 42 A G T 3 S+ 0 0 47 1,-0.2 2,-0.5 2,-0.0 -39,-0.4 0.441 87.4 122.1 83.5 0.7 36.4 99.1 77.0 43 43 A V < - 0 0 29 -3,-1.0 -1,-0.2 1,-0.1 -39,-0.2 -0.863 44.1-165.8-101.5 127.5 32.9 99.9 75.8 44 44 A A + 0 0 64 -41,-2.5 2,-0.3 -2,-0.5 -40,-0.2 0.879 68.5 3.6 -78.1 -43.9 32.1 103.5 74.7 45 45 A E E -b 4 0A 48 -42,-0.7 -40,-2.3 2,-0.0 2,-0.4 -0.987 56.3-146.0-144.7 157.9 28.3 103.4 74.6 46 46 A V E -b 5 0A 6 -2,-0.3 19,-0.6 -42,-0.2 2,-0.3 -0.992 22.0-176.1-128.7 126.4 25.4 101.0 75.3 47 47 A W E -bc 6 65A 49 -42,-2.9 -40,-3.0 -2,-0.4 2,-0.5 -0.955 21.9-144.6-125.4 147.7 22.2 101.1 73.2 48 48 A V E -bc 7 66A 0 17,-2.5 19,-2.2 -2,-0.3 2,-0.6 -0.926 18.0-155.4-109.2 122.9 18.9 99.3 73.3 49 49 A A E +bc 8 67A 0 -42,-2.2 -40,-2.9 -2,-0.5 2,-0.3 -0.910 26.8 161.8-102.1 118.8 17.5 98.6 69.8 50 50 A T E - c 0 68A 0 17,-2.3 19,-2.6 -2,-0.6 -40,-0.2 -0.901 44.0-156.6-138.1 164.5 13.7 98.3 69.8 51 51 A D S S+ 0 0 25 -42,-0.3 20,-0.1 -2,-0.3 -41,-0.1 0.272 78.1 78.8-118.6 6.1 10.7 98.4 67.5 52 52 A D >> - 0 0 27 -43,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.967 65.8-148.5-125.1 127.6 8.2 99.3 70.3 53 53 A P H 3> S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.732 98.9 62.0 -61.9 -26.1 7.6 102.8 71.8 54 54 A R H 3> S+ 0 0 130 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.912 108.7 41.9 -67.4 -39.9 6.7 101.2 75.2 55 55 A V H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.905 112.9 53.0 -72.1 -42.7 10.2 99.7 75.4 56 56 A E H X S+ 0 0 49 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.925 112.6 45.8 -57.6 -45.7 11.8 102.9 74.2 57 57 A Q H X S+ 0 0 114 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.923 111.0 51.2 -62.0 -48.6 9.9 104.8 76.9 58 58 A A H X S+ 0 0 25 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.882 112.2 48.7 -58.0 -38.2 10.8 102.3 79.6 59 59 A V H ><>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 3,-1.1 0.950 111.5 46.6 -68.5 -49.0 14.5 102.6 78.6 60 60 A Q H ><5S+ 0 0 91 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.895 102.5 67.4 -60.8 -36.3 14.5 106.4 78.5 61 61 A A H 3<5S+ 0 0 90 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.778 106.3 39.9 -55.7 -33.4 12.8 106.4 81.9 62 62 A F T <<5S- 0 0 56 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.385 124.8-104.5 -97.9 7.4 15.9 104.9 83.6 63 63 A G T < 5S+ 0 0 65 -3,-2.1 -3,-0.2 -4,-0.3 -2,-0.1 0.597 72.8 138.9 86.6 12.0 18.1 107.1 81.5 64 64 A G < - 0 0 6 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.450 56.8-103.9 -87.0 164.7 19.4 104.6 78.9 65 65 A K E -c 47 0A 93 -19,-0.6 -17,-2.5 -2,-0.1 2,-0.3 -0.752 39.0-178.0 -90.5 128.0 19.9 105.2 75.2 66 66 A A E -c 48 0A 17 -2,-0.5 2,-0.4 -19,-0.2 -17,-0.2 -0.904 10.8-164.8-123.0 150.2 17.3 103.7 72.9 67 67 A I E -c 49 0A 21 -19,-2.2 -17,-2.3 -2,-0.3 2,-0.3 -0.994 20.2-130.8-137.7 125.5 17.1 103.7 69.1 68 68 A M E -c 50 0A 76 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.635 30.0-178.5 -77.5 138.1 13.9 102.8 67.2 69 69 A T - 0 0 12 -19,-2.6 10,-0.1 -2,-0.3 2,-0.0 -0.775 35.7 -74.7-129.4 170.6 14.4 100.3 64.4 70 70 A R - 0 0 125 -2,-0.3 3,-0.4 1,-0.1 -1,-0.1 -0.348 25.7-147.7 -68.2 149.7 12.0 98.8 61.8 71 71 A N S S+ 0 0 113 1,-0.2 -1,-0.1 -20,-0.1 -20,-0.1 0.593 90.6 75.9 -90.8 -12.5 9.6 96.1 63.0 72 72 A D + 0 0 107 -21,-0.0 2,-0.5 2,-0.0 -1,-0.2 0.246 64.6 128.3 -80.9 7.9 9.8 94.3 59.5 73 73 A H - 0 0 17 -3,-0.4 6,-0.1 1,-0.2 3,-0.0 -0.592 43.0-165.7 -71.7 118.9 13.2 92.9 60.4 74 74 A E S S+ 0 0 143 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.938 72.4 35.8 -70.0 -43.6 13.3 89.1 59.8 75 75 A S S >> S- 0 0 12 1,-0.1 4,-1.5 126,-0.0 3,-0.7 -0.825 73.9-128.2-118.5 150.1 16.5 88.6 61.8 76 76 A G H 3> S+ 0 0 35 -2,-0.3 4,-0.9 1,-0.3 -1,-0.1 0.662 112.7 57.4 -63.2 -17.8 18.1 90.0 64.8 77 77 A T H 3> S+ 0 0 10 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.809 100.8 55.5 -81.7 -32.6 21.2 90.6 62.8 78 78 A D H <> S+ 0 0 27 -3,-0.7 4,-1.7 1,-0.2 -2,-0.2 0.865 104.8 54.5 -64.6 -37.2 19.3 92.7 60.3 79 79 A R H X S+ 0 0 5 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.884 106.6 50.7 -63.2 -38.0 18.2 94.9 63.2 80 80 A L H X S+ 0 0 1 -4,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.809 104.6 58.1 -69.0 -31.5 21.9 95.4 64.1 81 81 A V H X S+ 0 0 15 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.916 105.8 49.3 -65.3 -41.1 22.7 96.4 60.5 82 82 A E H X S+ 0 0 29 -4,-1.7 4,-0.8 1,-0.2 3,-0.3 0.911 112.0 48.1 -63.9 -42.2 20.2 99.2 60.7 83 83 A V H >X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 3,-0.8 0.891 104.2 62.4 -64.1 -39.4 21.7 100.4 64.0 84 84 A M H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.828 97.4 55.7 -55.5 -39.3 25.2 100.2 62.5 85 85 A H H 3< S+ 0 0 133 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.821 118.5 34.1 -64.4 -31.0 24.4 102.9 59.9 86 86 A K H << S+ 0 0 148 -3,-0.8 2,-0.6 -4,-0.8 -2,-0.2 0.753 115.0 54.9 -94.2 -34.2 23.4 105.3 62.6 87 87 A V S < S- 0 0 9 -4,-2.9 2,-0.3 2,-0.0 -1,-0.2 -0.921 80.0-142.1-108.8 113.2 25.8 104.4 65.5 88 88 A E + 0 0 141 -2,-0.6 2,-0.3 -3,-0.1 -3,-0.1 -0.525 38.7 133.1 -79.0 135.1 29.4 104.5 64.6 89 89 A A - 0 0 1 -2,-0.3 -86,-0.2 -5,-0.2 3,-0.1 -0.964 53.2-135.1-168.8 159.6 31.8 101.9 66.0 90 90 A D S S+ 0 0 76 -88,-2.6 90,-2.1 1,-0.3 2,-0.4 0.746 98.6 32.5 -91.2 -31.7 34.6 99.6 64.9 91 91 A I E -aD 3 179A 0 -89,-2.1 -87,-2.3 88,-0.2 2,-0.5 -0.993 67.8-164.2-131.6 126.6 33.2 96.7 66.9 92 92 A Y E -aD 4 178A 0 86,-2.8 86,-3.1 -2,-0.4 2,-0.5 -0.943 4.9-160.2-112.9 128.5 29.5 95.9 67.7 93 93 A I E -aD 5 177A 0 -89,-2.6 -87,-3.3 -2,-0.5 2,-0.7 -0.919 6.3-153.9-108.7 126.8 28.6 93.5 70.5 94 94 A N E -aD 6 176A 8 82,-3.1 82,-1.6 -2,-0.5 2,-0.3 -0.915 15.3-175.8-106.0 110.9 25.1 92.1 70.3 95 95 A L - 0 0 3 -89,-2.2 2,-0.3 -2,-0.7 80,-0.1 -0.856 29.6-110.7-102.8 147.2 23.8 91.1 73.7 96 96 A Q > - 0 0 60 -2,-0.3 3,-1.2 -89,-0.2 -87,-0.1 -0.559 14.6-143.5 -80.5 133.4 20.4 89.3 74.3 97 97 A G T 3 S+ 0 0 8 -89,-0.9 -64,-0.2 -2,-0.3 -1,-0.1 0.485 95.8 57.8 -74.0 -0.7 17.8 91.5 76.0 98 98 A D T 3 S+ 0 0 32 1,-0.1 126,-1.9 -65,-0.1 -1,-0.2 0.155 82.0 82.5-116.1 16.9 16.5 88.4 77.9 99 99 A E X + 0 0 45 -3,-1.2 3,-1.3 124,-0.2 -1,-0.1 -0.723 47.2 169.2-120.9 80.2 19.6 87.2 79.8 100 100 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -64,-0.1 0.654 71.1 64.6 -65.1 -17.0 19.7 89.4 82.9 101 101 A M T 3 + 0 0 26 121,-0.2 120,-0.3 -3,-0.1 122,-0.1 0.242 69.4 143.6 -95.7 16.7 22.4 87.2 84.5 102 102 A I < - 0 0 15 -3,-1.3 3,-0.1 1,-0.1 -7,-0.0 -0.208 49.6-129.2 -54.0 135.5 25.1 88.0 81.9 103 103 A R >> - 0 0 81 1,-0.1 3,-1.6 118,-0.1 4,-1.0 -0.862 4.5-145.6 -94.5 120.0 28.6 88.3 83.5 104 104 A P H 3> S+ 0 0 12 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.819 98.2 61.8 -49.7 -36.3 30.4 91.5 82.4 105 105 A R H 3> S+ 0 0 139 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.820 98.5 56.0 -63.0 -31.4 33.7 89.6 82.5 106 106 A D H <> S+ 0 0 14 -3,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.861 106.6 48.8 -69.6 -37.4 32.5 87.2 79.7 107 107 A V H X S+ 0 0 0 -4,-1.0 4,-2.8 -3,-0.3 -2,-0.2 0.884 109.2 54.0 -68.9 -36.3 31.8 90.2 77.4 108 108 A E H X S+ 0 0 47 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.875 105.5 53.3 -62.9 -37.1 35.3 91.5 78.2 109 109 A T H X S+ 0 0 60 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.925 110.5 47.7 -62.1 -43.6 36.8 88.2 77.1 110 110 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.953 113.2 46.9 -63.6 -47.7 34.9 88.5 73.8 111 111 A L H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.864 110.4 52.9 -63.6 -40.0 36.0 92.1 73.3 112 112 A Q H X S+ 0 0 97 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.874 105.7 54.9 -63.3 -38.4 39.7 91.2 74.2 113 113 A G H X S+ 0 0 9 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.908 108.7 47.9 -60.9 -42.5 39.6 88.4 71.6 114 114 A M H < S+ 0 0 0 -4,-1.7 3,-0.3 1,-0.2 6,-0.3 0.879 114.1 46.7 -66.0 -39.7 38.5 90.9 68.9 115 115 A R H < S+ 0 0 81 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.863 107.6 56.1 -72.4 -34.3 41.2 93.4 69.9 116 116 A D H < S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.688 115.2 38.5 -71.4 -20.3 44.0 90.7 70.0 117 117 A D >< - 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0 0 82 0, 0.0 2,-0.1 0, 0.0 17,-0.1 -0.515 26.7-100.1 -82.8 156.0 22.2 84.8 50.6 191 191 A E - 0 0 91 -2,-0.1 2,-0.3 1,-0.1 10,-0.0 -0.457 43.6-136.2 -65.6 145.2 20.4 82.5 53.0 192 192 A S > - 0 0 4 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.724 14.4-117.4-106.0 161.5 22.1 79.1 53.0 193 193 A M H > S+ 0 0 60 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.939 115.5 49.4 -62.4 -47.3 20.5 75.6 53.0 194 194 A P H > S+ 0 0 8 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.923 110.1 52.6 -61.4 -37.0 22.0 74.6 56.5 195 195 A E H >>S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 5,-1.2 0.935 113.6 42.7 -58.7 -48.8 20.7 77.9 57.9 196 196 A Q H <5S+ 0 0 62 -4,-2.2 -1,-0.2 2,-0.2 216,-0.1 0.861 115.9 47.9 -66.0 -41.4 17.2 77.2 56.6 197 197 A A H <5S+ 0 0 0 -4,-2.7 212,-2.3 215,-0.3 211,-1.1 0.942 124.1 30.6 -65.3 -48.1 17.2 73.6 57.6 198 198 A E H <5S- 0 0 0 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.690 98.8-130.8 -84.4 -22.6 18.5 74.2 61.2 199 199 A S T <5 + 0 0 66 -4,-2.0 2,-0.4 -5,-0.3 -3,-0.2 0.974 60.6 138.5 65.4 53.6 17.0 77.6 61.7 200 200 A L > < - 0 0 8 -5,-1.2 3,-1.6 -6,-0.2 4,-0.3 -0.922 41.6-161.6-132.9 105.1 20.4 79.0 62.9 201 201 A E T > S+ 0 0 44 -2,-0.4 3,-2.2 1,-0.3 4,-0.5 0.818 84.5 68.8 -58.9 -33.0 21.2 82.5 61.5 202 202 A Q T >> S+ 0 0 14 1,-0.3 4,-1.2 2,-0.2 3,-0.7 0.738 85.7 70.3 -61.4 -20.6 24.9 82.2 62.2 203 203 A L H <> S+ 0 0 3 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.714 84.3 70.2 -70.5 -17.1 25.2 79.5 59.5 204 204 A R H <> S+ 0 0 12 -3,-2.2 4,-1.0 -4,-0.3 -1,-0.2 0.907 99.9 47.5 -64.4 -37.8 24.6 82.3 57.0 205 205 A L H <4>S+ 0 0 3 -3,-0.7 5,-2.3 -4,-0.5 3,-0.4 0.908 110.2 50.9 -67.0 -44.1 28.1 83.6 57.8 206 206 A M H ><5S+ 0 0 12 -4,-1.2 3,-1.6 1,-0.2 -1,-0.2 0.855 102.6 60.8 -64.1 -33.5 29.8 80.2 57.6 207 207 A N H 3<5S+ 0 0 20 -4,-2.0 185,-2.2 1,-0.3 186,-0.3 0.864 105.9 47.9 -59.6 -37.5 28.2 79.6 54.2 208 208 A A T 3<5S- 0 0 40 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.324 121.2-107.2 -86.5 3.7 30.1 82.7 52.9 209 209 A G T < 5 + 0 0 53 -3,-1.6 2,-0.6 1,-0.3 -3,-0.2 0.717 66.2 151.9 79.2 19.5 33.4 81.6 54.5 210 210 A I < - 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0 0 44 1,-0.1 -118,-0.1 -3,-0.1 -1,-0.1 -0.173 22.0 -87.2 -80.7 176.3 26.4 80.8 82.4 221 221 A G - 0 0 23 -120,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.450 56.0 -81.6 -81.2 158.7 23.3 81.7 84.4 222 222 A P - 0 0 36 0, 0.0 -121,-0.2 0, 0.0 2,-0.2 -0.439 45.5-139.1 -65.7 120.3 19.8 80.6 83.3 223 223 A G - 0 0 31 -2,-0.3 2,-0.7 -124,-0.1 3,-0.3 -0.524 26.0-103.4 -75.3 150.8 18.4 82.9 80.7 224 224 A V S S+ 0 0 0 -126,-1.9 -1,-0.1 1,-0.2 6,-0.1 -0.698 71.9 120.0 -85.4 115.8 14.7 83.9 81.0 225 225 A D S S+ 0 0 99 -2,-0.7 -1,-0.2 1,-0.5 -210,-0.1 0.514 71.2 38.6-135.3 -45.1 12.5 82.0 78.5 226 226 A T S >> S- 0 0 43 -3,-0.3 4,-0.9 1,-0.0 3,-0.8 -0.840 76.6-123.1-116.5 149.3 10.0 80.1 80.7 227 227 A P H 3> S+ 0 0 70 0, 0.0 4,-0.8 0, 0.0 -1,-0.0 0.531 111.5 62.9 -66.0 -11.1 8.2 81.1 84.0 228 228 A A H 34 S+ 0 0 78 2,-0.2 4,-0.4 1,-0.1 0, 0.0 0.808 111.9 37.2 -80.6 -32.5 9.6 78.0 85.7 229 229 A C H <> S+ 0 0 39 -3,-0.8 4,-1.6 2,-0.2 -1,-0.1 0.556 105.9 68.6 -91.5 -15.8 13.1 79.5 85.1 230 230 A L H X S+ 0 0 10 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.889 101.3 47.4 -69.6 -39.5 11.9 83.1 85.7 231 231 A E H X S+ 0 0 107 -4,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.790 108.5 55.7 -70.4 -30.6 11.4 82.3 89.4 232 232 A K H > S+ 0 0 91 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.885 110.5 45.0 -68.3 -38.4 14.9 80.6 89.4 233 233 A V H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.907 111.9 51.8 -71.6 -40.9 16.3 83.9 88.1 234 234 A R H X S+ 0 0 71 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.928 115.7 41.3 -60.5 -45.4 14.3 86.0 90.6 235 235 A A H X S+ 0 0 62 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.908 117.6 47.9 -67.4 -43.0 15.6 83.8 93.5 236 236 A L H X S+ 0 0 61 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.843 112.8 47.1 -67.2 -38.2 19.2 83.7 92.0 237 237 A M H X S+ 0 0 7 -4,-3.1 4,-1.1 2,-0.2 -1,-0.2 0.822 114.6 47.9 -73.3 -34.1 19.3 87.5 91.4 238 238 A A H X S+ 0 0 44 -4,-1.6 4,-1.3 -5,-0.3 -2,-0.2 0.824 108.9 52.3 -73.8 -37.6 17.9 88.1 95.0 239 239 A Q H X S+ 0 0 107 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.791 108.7 54.1 -68.0 -27.6 20.4 85.7 96.6 240 240 A E H X S+ 0 0 56 -4,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.815 103.7 52.8 -75.8 -34.8 23.1 87.7 94.7 241 241 A L H < S+ 0 0 119 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.813 111.4 46.9 -69.4 -34.2 22.1 91.1 96.1 242 242 A A H >< S+ 0 0 78 -4,-1.3 3,-0.6 1,-0.2 -1,-0.2 0.717 108.9 55.9 -79.0 -24.0 22.3 89.7 99.7 243 243 A E H 3< S+ 0 0 129 -4,-0.8 2,-0.2 1,-0.2 -2,-0.2 0.765 103.9 53.1 -79.0 -29.5 25.7 88.1 99.0 244 244 A N T 3< 0 0 119 -4,-1.2 -1,-0.2 0, 0.0 -2,-0.1 -0.325 360.0 360.0-103.2 49.4 27.3 91.4 97.9 245 245 A A < 0 0 147 -3,-0.6 -3,-0.1 -2,-0.2 -4,-0.0 -0.532 360.0 360.0-102.2 360.0 26.3 93.3 101.0 246 !* 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 0.0 247 1 B S 0 0 95 0, 0.0 2,-0.5 0, 0.0 114,-0.0 0.000 360.0 360.0 360.0 101.7 52.1 68.5 38.1 248 2 B K - 0 0 74 41,-0.1 88,-2.2 42,-0.0 89,-2.0 -0.760 360.0-171.6 -90.9 126.7 52.6 64.8 38.6 249 3 B A E -k 337 0C 0 -2,-0.5 41,-2.6 39,-0.4 42,-0.8 -0.921 2.1-172.7-116.9 143.1 49.7 62.8 40.1 250 4 B V E -kl 338 291C 0 87,-2.1 89,-2.7 -2,-0.4 2,-0.5 -0.956 17.9-136.1-132.7 149.3 49.8 59.2 41.2 251 5 B I E -kl 339 292C 0 40,-2.4 42,-2.8 -2,-0.3 2,-0.4 -0.926 18.0-166.9-104.4 130.4 47.0 56.8 42.4 252 6 B V E -kl 340 293C 1 87,-3.3 89,-2.3 -2,-0.5 42,-0.2 -0.978 3.8-161.6-118.7 130.7 47.8 54.7 45.5 253 7 B I E - l 0 294C 0 40,-2.8 42,-2.7 -2,-0.4 2,-0.3 -0.944 11.7-145.5-116.3 107.0 45.4 51.8 46.4 254 8 B P E + l 0 295C 16 0, 0.0 89,-0.9 0, 0.0 42,-0.2 -0.583 24.7 172.9 -69.8 125.1 45.7 50.5 50.0 255 9 B A + 0 0 5 40,-3.0 42,-0.5 -2,-0.3 43,-0.3 -0.609 4.2 179.7-137.6 75.7 45.2 46.8 49.9 256 10 B R - 0 0 125 40,-0.2 40,-0.1 -2,-0.2 61,-0.0 -0.513 27.2-136.1 -76.9 147.4 45.8 45.1 53.3 257 11 B Y S S+ 0 0 55 -2,-0.2 7,-1.3 8,-0.1 8,-0.8 0.933 75.5 82.1 -67.6 -47.5 45.3 41.4 53.4 258 12 B G + 0 0 26 5,-0.2 2,-0.3 6,-0.2 -2,-0.1 -0.199 42.9 158.0 -69.7 151.9 43.4 41.2 56.7 259 13 B S - 0 0 34 1,-0.1 6,-0.0 6,-0.0 212,-0.0 -0.894 39.8-130.7-166.5 135.7 39.8 41.8 57.5 260 14 B S S S+ 0 0 127 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.846 108.8 24.3 -63.3 -35.0 37.7 40.7 60.5 261 15 B R S S+ 0 0 156 210,-0.3 -1,-0.2 1,-0.2 210,-0.0 0.535 133.6 34.5-105.7 -12.0 34.8 39.3 58.4 262 16 B L S > S- 0 0 18 210,-0.1 3,-1.4 209,-0.1 -1,-0.2 -0.507 73.4-161.5-145.1 71.5 36.6 38.6 55.1 263 17 B P T 3 S+ 0 0 93 0, 0.0 -5,-0.2 0, 0.0 -3,-0.1 -0.243 83.5 19.3 -52.9 137.8 40.3 37.5 55.5 264 18 B G T > S+ 0 0 4 -7,-1.3 3,-2.3 2,-0.1 4,-0.3 0.698 80.3 165.0 71.1 22.9 42.2 37.9 52.3 265 19 B K G X + 0 0 33 -3,-1.4 3,-1.8 -8,-0.8 10,-0.3 0.776 65.0 57.4 -40.3 -49.1 39.6 40.5 51.0 266 20 B P G 3 S+ 0 0 5 0, 0.0 10,-2.5 0, 0.0 11,-0.3 0.733 107.2 51.2 -62.2 -18.6 41.7 42.0 48.1 267 21 B L G < S+ 0 0 55 -3,-2.3 -2,-0.2 7,-0.2 2,-0.1 0.409 78.6 124.3 -98.1 2.3 42.1 38.5 46.6 268 22 B L < - 0 0 44 -3,-1.8 7,-2.2 -4,-0.3 2,-0.2 -0.395 66.6-113.9 -66.7 136.2 38.4 37.5 46.6 269 23 B D E -T 274 0D 79 5,-0.2 2,-0.4 -2,-0.1 -1,-0.1 -0.527 32.7-179.0 -75.4 133.5 37.2 36.6 43.2 270 24 B I E > S-T 273 0D 0 3,-2.5 3,-1.5 -2,-0.2 8,-0.0 -0.948 75.5 -30.8-134.8 110.4 34.6 38.8 41.5 271 25 B V T 3 S- 0 0 64 -2,-0.4 -2,-0.0 1,-0.2 210,-0.0 0.834 129.1 -39.8 46.0 41.6 33.5 37.5 38.1 272 26 B G T 3 S+ 0 0 59 1,-0.2 -1,-0.2 0, 0.0 -3,-0.1 0.367 124.1 78.5 99.4 -7.2 36.9 35.9 37.3 273 27 B K E < S-T 270 0D 69 -3,-1.5 -3,-2.5 -5,-0.1 -1,-0.2 -0.965 84.3-101.2-133.1 148.4 39.4 38.5 38.7 274 28 B P E >> -T 269 0D 29 0, 0.0 3,-1.2 0, 0.0 4,-1.2 -0.389 39.5-112.0 -66.3 150.1 40.6 39.2 42.2 275 29 B M H >> S+ 0 0 1 -7,-2.2 4,-1.6 -10,-0.3 3,-0.6 0.896 116.5 57.7 -48.5 -43.0 38.9 42.4 43.7 276 30 B I H 3> S+ 0 0 0 -10,-2.5 4,-2.5 1,-0.3 -1,-0.3 0.809 100.6 57.3 -61.2 -29.7 42.2 44.3 43.7 277 31 B Q H <> S+ 0 0 31 -3,-1.2 4,-2.6 -11,-0.3 -1,-0.3 0.873 103.2 53.0 -70.8 -36.7 42.5 43.8 39.9 278 32 B H H < S+ 0 0 38 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.911 107.9 56.4 -71.2 -38.7 39.7 51.1 36.6 283 37 B A H >< S+ 0 0 2 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.851 101.0 59.2 -59.7 -32.5 42.5 53.3 38.1 284 38 B L T 3< S+ 0 0 106 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.661 96.7 61.6 -70.7 -16.5 44.4 52.8 34.9 285 39 B Q T < S+ 0 0 122 -3,-1.6 2,-0.6 -4,-0.4 -1,-0.3 0.373 77.3 108.8 -88.6 0.5 41.6 54.4 32.9 286 40 B V X - 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0 0 39 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.2 -0.756 44.5-126.3 -88.4 121.4 43.6 72.3 56.6 457 211 B N - 0 0 54 -2,-0.6 -89,-1.0 -3,-0.1 2,-0.5 -0.421 21.1-165.8 -70.5 140.0 40.9 72.9 54.1 458 212 B I E -p 368 0C 0 -62,-0.3 -62,-2.8 -2,-0.2 2,-0.4 -0.976 7.6-154.9-126.5 113.6 39.1 69.9 52.4 459 213 B R E -pS 369 395C 29 -91,-2.3 -89,-2.3 -2,-0.5 2,-0.6 -0.778 9.4-150.8 -91.5 138.1 37.0 70.7 49.3 460 214 B T E -p 370 0C 1 -66,-3.1 2,-0.4 -2,-0.4 -89,-0.2 -0.919 5.3-158.1-118.2 111.0 34.2 68.3 48.6 461 215 B F E -p 371 0C 25 -91,-2.4 -89,-1.8 -2,-0.6 2,-0.4 -0.684 16.1-129.5 -90.2 133.0 33.1 67.6 45.0 462 216 B E E +p 372 0C 79 -2,-0.4 2,-0.2 -91,-0.2 -89,-0.2 -0.613 33.0 164.3 -87.7 131.1 29.6 66.2 44.3 463 217 B V - 0 0 17 -91,-2.5 -89,-0.4 -2,-0.4 3,-0.1 -0.711 43.3 -75.8-128.5 180.0 29.1 63.2 42.0 464 218 B A S S- 0 0 64 -2,-0.2 -1,-0.1 1,-0.2 -112,-0.0 -0.393 70.7 -66.0 -77.9 160.5 26.3 60.8 41.3 465 219 B A - 0 0 68 1,-0.1 -1,-0.2 -2,-0.1 2,-0.2 -0.138 62.1-138.7 -46.8 133.5 25.4 57.9 43.8 466 220 B T - 0 0 38 1,-0.1 -118,-0.1 -3,-0.1 -1,-0.1 -0.516 15.8 -93.6 -97.8 167.2 28.3 55.4 43.9 467 221 B G - 0 0 25 -120,-0.3 -1,-0.1 -2,-0.2 -118,-0.1 -0.303 50.3 -93.5 -73.7 159.1 28.5 51.6 44.1 468 222 B P - 0 0 44 0, 0.0 -121,-0.3 0, 0.0 2,-0.1 -0.349 33.3-122.9 -75.3 154.9 28.8 49.8 47.4 469 223 B G - 0 0 17 -124,-0.1 2,-0.7 -123,-0.1 3,-0.2 -0.430 23.0-115.2 -86.9 168.7 32.0 48.8 49.0 470 224 B V + 0 0 0 -126,-2.2 -125,-0.0 1,-0.2 -1,-0.0 -0.867 62.1 128.1-112.4 98.2 32.9 45.2 50.0 471 225 B D + 0 0 83 -2,-0.7 -210,-0.3 1,-0.2 -1,-0.2 0.571 67.7 40.0-120.2 -22.8 33.2 44.8 53.8 472 226 B T S > S- 0 0 37 -3,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.892 85.3-111.5-127.5 156.0 30.8 41.9 54.6 473 227 B P H > S+ 0 0 60 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.792 119.5 57.6 -58.0 -22.9 30.2 38.6 52.9 474 228 B A H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.878 105.2 47.5 -72.1 -42.4 26.7 40.0 52.1 475 229 B C H > S+ 0 0 21 -3,-0.5 4,-2.6 1,-0.2 5,-0.2 0.844 107.4 59.7 -66.8 -33.5 28.1 43.1 50.3 476 230 B L H X S+ 0 0 10 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.893 105.7 46.0 -62.0 -42.2 30.4 40.7 48.4 477 231 B E H X S+ 0 0 112 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.867 112.1 52.1 -69.3 -36.3 27.4 38.8 46.9 478 232 B K H X S+ 0 0 93 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.965 110.9 45.9 -63.8 -51.7 25.7 42.0 46.0 479 233 B V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.869 110.6 54.5 -59.9 -39.3 28.8 43.4 44.1 480 234 B R H X S+ 0 0 71 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.927 111.2 44.6 -61.2 -45.0 29.3 40.1 42.3 481 235 B A H X S+ 0 0 59 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.885 115.3 48.9 -65.3 -40.6 25.7 40.2 41.0 482 236 B L H X S+ 0 0 60 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.862 113.1 45.3 -67.3 -40.9 26.0 43.9 40.1 483 237 B M H < S+ 0 0 8 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.736 110.2 57.5 -75.5 -24.0 29.3 43.4 38.2 484 238 B A H >< S+ 0 0 46 -4,-1.5 3,-0.7 -5,-0.2 -2,-0.2 0.955 108.2 42.4 -70.4 -53.1 27.9 40.3 36.5 485 239 B Q H 3< S+ 0 0 154 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.706 97.8 76.7 -67.7 -21.1 24.9 42.0 34.9 486 240 B E T 3< 0 0 97 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.116 360.0 360.0 -75.5 23.9 27.2 44.9 34.0 487 241 B L < 0 0 165 -3,-0.7 -1,-0.2 0, 0.0 -4,-0.0 -0.725 360.0 360.0-135.5 360.0 28.3 42.5 31.3