==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAR-12 4E6T . COMPND 2 MOLECULE: ACYL-[ACYL-CARRIER-PROTEIN]--UDP-N-ACETYLGLUCOSAM . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR J.BADGER,B.CHIE-LEON,C.LOGAN,V.SRIDHAR,B.SANKARAN,P.H.ZWART, . 791 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30949.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 622 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 243 30.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 1 0.1 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 . 91 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 3 0 0 3 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 57 9 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 6 0 3 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 0 174 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.9 2.6 39.3 -38.4 2 -5 A Y + 0 0 217 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.459 360.0 141.4-105.8 62.1 0.8 36.5 -36.4 3 -4 A F - 0 0 162 -2,-0.6 0, 0.0 1,-0.1 0, 0.0 -0.649 51.1-134.7 -92.9 155.6 0.2 33.8 -39.0 4 -3 A Q - 0 0 174 -2,-0.2 -1,-0.1 2,-0.0 0, 0.0 0.912 21.3-154.6 -76.8 -44.4 0.5 30.1 -38.1 5 -2 A G 0 0 66 1,-0.1 -2,-0.0 0, 0.0 -1,-0.0 0.891 360.0 360.0 68.1 42.8 2.5 29.0 -41.1 6 -1 A A 0 0 117 19,-0.0 -1,-0.1 18,-0.0 19,-0.1 -0.226 360.0 360.0-115.9 360.0 1.4 25.3 -41.1 7 ! 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 8 5 A D 0 0 193 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -40.9 -7.0 21.5 -38.2 9 6 A L + 0 0 65 1,-0.2 19,-2.5 15,-0.1 2,-0.7 0.896 360.0 44.5 -67.0 -46.3 -4.3 19.1 -36.7 10 7 A I B S-a 28 0A 73 17,-0.2 -1,-0.2 4,-0.0 19,-0.2 -0.896 95.3-126.1-100.1 112.7 -5.8 18.8 -33.1 11 8 A H > - 0 0 55 17,-3.0 3,-1.6 -2,-0.7 21,-0.1 -0.234 13.8-125.5 -58.6 142.0 -9.5 18.3 -33.5 12 9 A S T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -4,-0.1 17,-0.1 0.733 107.4 59.5 -64.8 -22.4 -11.5 20.8 -31.4 13 10 A T T 3 S+ 0 0 29 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.568 78.9 106.8 -82.4 -10.9 -13.4 18.0 -29.6 14 11 A A < - 0 0 14 -3,-1.6 2,-0.7 14,-0.2 19,-0.2 -0.469 67.8-139.3 -66.5 138.9 -10.2 16.5 -28.2 15 12 A I E -k 33 0B 51 17,-2.8 19,-2.9 -2,-0.1 2,-0.5 -0.917 24.4-173.9-106.2 110.0 -10.0 17.2 -24.5 16 13 A I E -k 34 0B 51 -2,-0.7 19,-0.2 17,-0.2 17,-0.0 -0.920 24.7-124.3-113.0 120.9 -6.4 18.0 -23.7 17 14 A D > - 0 0 56 17,-2.6 3,-1.9 -2,-0.5 21,-0.1 -0.319 25.5-122.2 -56.0 139.4 -5.1 18.6 -20.1 18 15 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.750 110.3 59.8 -58.5 -22.7 -3.4 22.0 -19.9 19 16 A S T 3 S+ 0 0 36 2,-0.1 2,-0.1 20,-0.0 -2,-0.1 0.587 82.1 111.6 -79.3 -10.0 -0.1 20.4 -18.7 20 17 A A < - 0 0 18 -3,-1.9 2,-0.5 14,-0.2 19,-0.2 -0.373 55.2-154.2 -71.6 141.3 0.2 18.4 -21.9 21 18 A V E +s 39 0C 96 17,-2.6 19,-2.3 -2,-0.1 2,-0.5 -0.961 16.2 179.5-117.1 114.8 2.9 19.2 -24.4 22 19 A I E -s 40 0C 35 -2,-0.5 19,-0.2 17,-0.2 20,-0.0 -0.964 30.6-116.1-121.0 122.2 2.1 18.2 -28.0 23 20 A A > - 0 0 32 17,-2.7 3,-1.9 -2,-0.5 20,-0.1 -0.208 32.0-110.7 -58.4 150.7 4.5 18.8 -30.9 24 21 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 18,-0.0 -15,-0.1 0.702 113.4 46.0 -63.8 -24.5 3.2 21.3 -33.5 25 22 A D T 3 S+ 0 0 76 2,-0.1 -1,-0.3 -19,-0.1 2,-0.2 0.348 82.5 122.6 -99.0 6.9 2.7 18.7 -36.3 26 23 A V < - 0 0 1 -3,-1.9 2,-0.4 14,-0.1 19,-0.2 -0.482 53.2-144.5 -69.3 135.7 0.9 16.1 -34.2 27 24 A Q E - b 0 45A 86 17,-2.0 19,-3.1 -2,-0.2 2,-0.4 -0.873 16.3-174.6-103.1 132.2 -2.5 15.1 -35.5 28 25 A I E -ab 10 46A 3 -19,-2.5 -17,-3.0 -2,-0.4 -14,-0.2 -0.988 16.7-139.4-131.4 119.8 -5.2 14.2 -32.8 29 26 A G > - 0 0 12 17,-1.1 3,-1.1 18,-1.0 21,-0.1 -0.078 36.5 -65.6 -74.8 171.0 -8.5 12.9 -33.9 30 27 A P T 3 S+ 0 0 20 0, 0.0 19,-2.0 0, 0.0 20,-0.2 -0.220 113.3 12.6 -55.5 146.0 -12.0 13.7 -32.6 31 28 A Y T 3 S+ 0 0 12 17,-0.2 2,-0.2 1,-0.2 -17,-0.2 0.710 84.1 150.0 61.3 25.1 -13.0 12.7 -29.0 32 29 A C < - 0 0 0 -3,-1.1 -17,-2.8 17,-0.2 2,-0.5 -0.583 36.6-145.3 -78.0 151.9 -9.5 11.9 -27.8 33 30 A I E -kl 15 51B 26 17,-2.5 19,-3.3 -2,-0.2 2,-0.6 -0.992 12.2-171.1-120.6 121.7 -8.6 12.4 -24.1 34 31 A I E -kl 16 52B 3 -19,-2.9 -17,-2.6 -2,-0.5 19,-0.2 -0.964 15.5-155.0-113.9 113.6 -5.1 13.5 -23.2 35 32 A G > - 0 0 8 17,-3.1 3,-0.6 -2,-0.6 19,-0.3 -0.020 32.2 -60.2 -78.9-172.8 -4.5 13.4 -19.5 36 33 A P T 3 S+ 0 0 48 0, 0.0 19,-2.5 0, 0.0 20,-0.2 -0.327 113.8 16.5 -71.2 149.9 -2.0 15.3 -17.3 37 34 A Q T 3 S+ 0 0 86 1,-0.2 19,-0.9 17,-0.2 2,-0.4 0.859 86.3 147.5 58.6 41.8 1.8 15.2 -17.8 38 35 A V E < - t 0 56C 0 -3,-0.6 -17,-2.6 17,-0.2 2,-0.4 -0.898 27.6-169.9-104.3 135.2 1.5 13.7 -21.3 39 36 A T E -st 21 57C 58 17,-2.4 19,-2.9 -2,-0.4 2,-0.4 -0.986 0.9-167.9-120.3 140.1 4.1 14.6 -23.9 40 37 A I E -st 22 58C 5 -19,-2.3 -17,-2.7 -2,-0.4 19,-0.2 -0.974 15.9-136.4-131.7 120.5 3.6 13.6 -27.6 41 38 A G > - 0 0 18 17,-2.2 3,-1.6 18,-0.7 20,-0.2 -0.187 34.9 -68.1 -78.9 164.1 6.5 13.9 -30.2 42 39 A A T 3 S+ 0 0 31 1,-0.2 19,-2.0 18,-0.2 -1,-0.2 -0.068 112.6 14.3 -52.9 137.7 6.7 15.2 -33.7 43 40 A G T 3 S+ 0 0 23 1,-0.3 -1,-0.2 17,-0.2 2,-0.1 0.331 86.7 141.6 83.7 -6.3 4.9 13.4 -36.5 44 41 A T < - 0 0 0 -3,-1.6 -17,-2.0 17,-0.2 2,-0.4 -0.415 35.3-156.9 -68.5 141.8 2.7 11.3 -34.2 45 42 A K E -bc 27 63A 74 17,-2.7 19,-2.8 -19,-0.2 2,-0.5 -0.987 8.4-169.3-121.4 123.7 -0.9 10.7 -35.3 46 43 A L E -bc 28 64A 2 -19,-3.1 -17,-1.1 -2,-0.4 19,-0.2 -0.941 15.8-146.7-103.7 131.8 -3.7 9.8 -32.9 47 44 A H - 0 0 22 17,-3.0 -18,-1.0 -2,-0.5 3,-0.5 0.013 42.9 -63.4 -71.7-168.9 -6.9 8.7 -34.6 48 45 A S S S+ 0 0 8 1,-0.2 19,-0.3 -20,-0.1 -1,-0.2 -0.361 116.3 26.3 -68.7 161.2 -10.4 9.4 -33.0 49 46 A H S S+ 0 0 0 -19,-2.0 18,-2.2 17,-0.2 2,-0.4 0.777 78.3 147.7 60.5 36.6 -11.3 7.9 -29.6 50 47 A V - 0 0 0 -3,-0.5 -17,-2.5 -20,-0.2 2,-0.5 -0.878 31.6-157.6-101.3 134.6 -7.7 7.5 -28.2 51 48 A V E -lm 33 69B 4 17,-2.2 19,-3.1 -2,-0.4 2,-0.6 -0.969 9.6-172.6-111.6 124.6 -7.3 7.9 -24.4 52 49 A V E -lm 34 70B 0 -19,-3.3 -17,-3.1 -2,-0.5 19,-0.2 -0.966 13.4-159.8-111.7 108.3 -3.9 8.8 -23.0 53 50 A G - 0 0 19 17,-2.0 2,-0.3 -2,-0.6 19,-0.2 0.891 43.2 -80.2 -61.3 -48.3 -4.5 8.5 -19.3 54 51 A G S S+ 0 0 1 17,-0.8 -17,-0.2 16,-0.3 -1,-0.2 -0.882 98.7 50.0 160.8 165.7 -1.6 10.5 -18.0 55 52 A F S S+ 0 0 23 -19,-2.5 31,-1.7 -2,-0.3 2,-0.4 0.877 76.4 137.5 48.0 54.6 2.2 10.6 -17.2 56 53 A T E -tu 38 86C 0 -19,-0.9 -17,-2.4 29,-0.2 2,-0.6 -0.999 43.5-157.0-136.5 131.8 3.1 9.2 -20.6 57 54 A R E -tu 39 87C 89 29,-2.4 31,-3.1 -2,-0.4 2,-0.4 -0.955 14.3-170.8-108.6 118.5 5.9 10.2 -22.9 58 55 A I E -tu 40 88C 6 -19,-2.9 -17,-2.2 -2,-0.6 31,-0.2 -0.937 11.0-146.7-113.3 130.0 5.2 9.3 -26.6 59 56 A G - 0 0 15 30,-1.2 -18,-0.7 29,-1.1 3,-0.4 0.326 34.2 -52.2 -77.4-151.9 8.0 9.7 -29.1 60 57 A Q S S+ 0 0 97 1,-0.2 31,-2.6 -20,-0.1 -17,-0.2 -0.604 104.5 5.4 -95.9 148.7 8.0 10.7 -32.8 61 58 A N S S+ 0 0 81 -19,-2.0 -1,-0.2 -20,-0.2 2,-0.2 0.761 81.5 149.2 58.5 33.6 6.1 9.3 -35.8 62 59 A N - 0 0 4 -3,-0.4 -17,-2.7 -21,-0.2 2,-0.4 -0.577 35.4-149.6 -87.7 160.5 3.9 7.0 -33.9 63 60 A E E -cd 45 93A 53 29,-2.3 31,-2.8 -19,-0.2 2,-0.5 -0.983 11.5-171.9-133.7 122.5 0.4 6.1 -35.0 64 61 A I E -cd 46 94A 0 -19,-2.8 -17,-3.0 -2,-0.4 31,-0.2 -0.971 13.3-146.4-119.0 125.4 -2.3 5.2 -32.4 65 62 A F > - 0 0 2 29,-2.8 3,-1.3 -2,-0.5 32,-0.2 -0.371 33.2 -66.3 -93.5 163.2 -5.7 3.9 -33.5 66 63 A Q T 3 S+ 0 0 2 1,-0.2 31,-0.8 30,-0.1 -17,-0.2 -0.084 113.3 16.6 -47.2 138.1 -9.2 4.3 -32.1 67 64 A F T 3 S+ 0 0 0 -18,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.525 83.9 143.6 73.4 11.9 -10.1 2.8 -28.7 68 65 A A < - 0 0 0 -3,-1.3 -17,-2.2 29,-0.2 2,-0.6 -0.612 42.2-148.4 -73.9 138.9 -6.5 2.3 -27.6 69 66 A S E -mn 51 99B 0 29,-2.8 31,-2.6 -2,-0.3 2,-0.5 -0.940 22.3-175.4-112.4 107.2 -6.0 3.0 -23.9 70 67 A V E -mn 52 100B 0 -19,-3.1 -17,-2.0 -2,-0.6 -16,-0.3 -0.906 59.4 -1.0-115.7 120.9 -2.5 4.4 -23.6 71 68 A G E S+ 0 0 0 29,-1.8 -17,-0.8 -2,-0.5 30,-0.2 0.911 83.0 155.9 73.3 41.7 -0.8 5.1 -20.3 72 69 A E E - n 0 101B 15 28,-1.6 30,-2.7 -3,-0.3 -1,-0.2 -0.592 53.9 -82.7 -93.3 162.4 -3.7 4.2 -18.0 73 70 A V - 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0 0 1 -2,-2.0 2,-0.3 19,-0.2 26,-0.2 -0.389 28.1-120.9 -95.5 174.6 4.3 6.3 -12.2 85 82 A W E - v 0 110C 71 24,-2.3 26,-2.1 -2,-0.1 18,-1.5 -0.751 13.9-156.2-125.3 156.6 5.2 6.5 -16.0 86 83 A L E -uv 56 111C 0 -31,-1.7 -29,-2.4 -2,-0.3 2,-0.4 -0.999 17.8-167.1-123.2 133.7 4.8 5.0 -19.4 87 84 A E E -uv 57 112C 55 24,-2.8 26,-2.7 -2,-0.4 2,-0.4 -0.983 5.1-176.5-121.8 130.4 7.4 5.7 -22.1 88 85 A I E -uv 58 113C 8 -31,-3.1 -29,-1.1 -2,-0.4 26,-0.2 -0.990 12.2-151.6-122.7 138.0 6.9 4.9 -25.8 89 86 A G - 0 0 16 25,-1.5 -30,-1.2 24,-1.1 2,-0.3 0.473 34.8 -53.1 -83.5-137.2 9.6 5.5 -28.4 90 87 A N S S+ 0 0 57 -31,-0.2 26,-2.3 1,-0.2 27,-0.3 -0.759 100.4 12.3-112.4 152.7 9.4 6.3 -32.1 91 88 A N S S+ 0 0 70 -31,-2.6 2,-0.3 -2,-0.3 -29,-0.2 0.805 79.0 151.2 59.6 34.3 7.7 4.8 -35.2 92 89 A N - 0 0 0 -3,-0.2 -29,-2.3 -32,-0.2 2,-0.5 -0.712 38.8-145.8 -95.6 151.3 5.4 2.4 -33.4 93 90 A L E -de 63 118A 56 24,-2.6 26,-3.0 -2,-0.3 2,-0.6 -0.984 14.9-173.6-116.4 117.9 2.0 1.3 -34.7 94 91 A I E -de 64 119A 0 -31,-2.8 -29,-2.8 -2,-0.5 26,-0.2 -0.940 16.0-152.5-118.2 107.9 -0.5 0.8 -31.9 95 92 A R > - 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0 0 41 -6,-0.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.684 51.9-122.3 -95.6 144.7 -7.4 -43.0 -48.8 760 227 C T > - 0 0 82 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.351 38.6 -99.2 -69.0 162.2 -5.8 -40.1 -50.6 761 228 C S H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 125.1 49.7 -46.8 -51.4 -8.0 -37.1 -51.5 762 229 C V H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 111.1 47.9 -59.3 -47.8 -8.5 -38.4 -55.0 763 230 C Q H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 111.9 50.5 -60.1 -39.7 -9.5 -41.9 -53.9 764 231 C A H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.934 110.8 48.2 -65.3 -47.3 -11.9 -40.5 -51.4 765 232 C I H X S+ 0 0 11 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.924 110.8 51.6 -58.6 -45.2 -13.6 -38.3 -53.9 766 233 C D H X S+ 0 0 89 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.899 111.7 46.2 -61.6 -39.6 -13.9 -41.1 -56.4 767 234 C Q H X S+ 0 0 68 -4,-1.9 4,-2.3 2,-0.2 5,-0.4 0.845 112.7 49.9 -72.7 -35.1 -15.6 -43.4 -53.8 768 235 C I H X>S+ 0 0 0 -4,-2.4 4,-2.8 3,-0.2 5,-2.6 0.967 112.0 49.2 -62.2 -50.8 -17.9 -40.6 -52.7 769 236 C K H <5S+ 0 0 90 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.910 118.7 38.1 -55.6 -45.8 -18.9 -39.9 -56.4 770 237 C S H <5S+ 0 0 81 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.892 130.8 24.3 -75.5 -38.2 -19.5 -43.6 -57.1 771 238 C E H <5S+ 0 0 133 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.739 132.5 16.7-105.7 -23.3 -21.2 -44.7 -53.8 772 239 C I T >X5S+ 0 0 5 -4,-2.8 4,-2.2 -5,-0.4 3,-0.9 0.764 105.8 67.6-122.8 -46.5 -22.7 -41.7 -52.1 773 240 C L T 34< + 0 0 6 -4,-2.2 3,-1.7 1,-0.1 -1,-0.2 -0.768 57.7 172.3-123.4 84.1 -26.8 -37.7 -51.5 777 244 C P G > S+ 0 0 82 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.796 73.9 74.0 -65.5 -24.0 -26.2 -34.6 -53.6 778 245 C E G > S+ 0 0 63 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.755 78.8 76.8 -55.1 -26.0 -25.3 -32.7 -50.4 779 246 C A G X> S+ 0 0 0 -3,-1.7 4,-1.6 1,-0.3 3,-0.7 0.653 73.7 80.9 -60.6 -16.2 -22.0 -34.7 -50.6 780 247 C Q H <> S+ 0 0 67 -3,-2.2 4,-2.9 1,-0.2 -1,-0.3 0.838 81.8 61.7 -60.6 -34.8 -20.8 -32.4 -53.3 781 248 C L H <> S+ 0 0 59 -3,-1.6 4,-2.0 1,-0.2 -66,-0.5 0.862 103.8 49.7 -60.7 -36.0 -19.8 -29.7 -50.8 782 249 C L H <> S+ 0 0 0 -3,-0.7 4,-1.9 -4,-0.4 -1,-0.2 0.882 109.1 50.6 -69.9 -43.1 -17.3 -32.2 -49.3 783 250 C I H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.949 110.3 51.5 -55.4 -50.4 -15.8 -33.0 -52.8 784 251 C D H X S+ 0 0 47 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.919 105.9 54.8 -52.6 -48.1 -15.5 -29.2 -53.4 785 252 C S H X S+ 0 0 4 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.935 111.8 43.2 -52.3 -50.1 -13.7 -28.7 -50.1 786 253 C L H < S+ 0 0 15 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.890 115.9 47.5 -65.4 -42.6 -11.0 -31.3 -51.0 787 254 C E H < S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.812 116.6 43.4 -69.2 -31.7 -10.7 -30.1 -54.6 788 255 C Q H < S+ 0 0 101 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.524 84.3 120.1 -89.0 -10.1 -10.4 -26.4 -53.5 789 256 C S < + 0 0 29 -4,-1.0 4,-0.1 -3,-0.3 -94,-0.1 -0.362 28.7 169.8 -62.9 130.7 -8.0 -27.0 -50.6 790 257 C E S S+ 0 0 159 2,-0.2 -1,-0.2 -96,-0.2 3,-0.1 0.581 79.9 39.6-113.3 -19.4 -4.7 -25.2 -50.9 791 258 C R S S- 0 0 86 1,-0.4 -2,-0.1 -97,-0.1 2,-0.1 0.350 115.3-107.6-104.5 2.4 -3.3 -25.7 -47.4 792 259 C G - 0 0 32 -81,-0.1 -80,-2.7 -6,-0.1 -1,-0.4 -0.160 42.4 -81.8 82.2 168.5 -4.4 -29.3 -47.0 793 260 C I B -c 712 0L 20 -82,-0.2 -80,-0.2 1,-0.1 -67,-0.1 -0.740 44.4 -89.6-107.9 155.4 -7.3 -30.2 -44.7 794 261 C V 0 0 3 -82,-2.6 -69,-0.2 -2,-0.3 -1,-0.1 -0.238 360.0 360.0 -54.3 153.9 -7.5 -30.8 -41.0 795 262 C R 0 0 172 -71,-0.4 -70,-0.1 -3,-0.1 -1,-0.1 0.648 360.0 360.0-116.3 360.0 -6.9 -34.5 -40.1