==== 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/BIOSYNTHETIC PROTEIN 30-MAY-05 1ZUD . COMPND 2 MOLECULE: ADENYLYLTRANSFERASE THIF; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.E.EALICK,C.LEHMANN . 605 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 6 1.0 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 . 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 . 48 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 4 0 2 1 1 2 3 1 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 2 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 1 2 3 2 2 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 0 0 0 0 2 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 1 M 0 0 81 0, 0.0 23,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 158.4 -4.4 66.8 18.8 2 2 1 N > - 0 0 76 1,-0.1 4,-2.1 4,-0.0 3,-0.2 -0.148 360.0-103.5 -69.9 164.9 -4.6 68.5 15.4 3 3 1 D H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.840 118.1 56.1 -57.0 -41.0 -4.9 66.7 12.1 4 4 1 R H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 109.2 46.3 -61.8 -44.8 -1.3 67.2 11.1 5 5 1 D H > S+ 0 0 19 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.901 109.4 56.5 -63.8 -39.2 -0.0 65.5 14.4 6 6 1 F H < S+ 0 0 103 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.954 112.4 39.6 -58.5 -51.1 -2.5 62.7 13.9 7 7 1 M H >< S+ 0 0 84 -4,-2.3 3,-1.1 1,-0.2 4,-0.4 0.944 114.9 53.1 -62.5 -48.0 -1.1 61.8 10.5 8 8 1 R H 3< S+ 0 0 2 -4,-2.4 363,-0.4 1,-0.2 3,-0.3 0.884 120.7 31.9 -53.3 -44.9 2.5 62.4 11.5 9 9 1 Y T >X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-1.5 0.259 85.5 115.2 -99.3 13.7 2.2 60.0 14.5 10 10 1 S H <> + 0 0 16 -3,-1.1 4,-1.9 -4,-0.5 -1,-0.2 0.824 67.5 59.8 -54.7 -41.3 -0.3 57.6 13.0 11 11 1 R H 34 S+ 0 0 46 -4,-0.4 476,-1.6 -3,-0.3 -1,-0.3 0.744 114.6 35.2 -67.7 -21.2 2.0 54.6 12.9 12 12 1 Q H X4 S+ 0 0 0 -3,-1.5 3,-1.0 474,-0.2 7,-0.9 0.730 111.0 61.4 -98.4 -22.2 2.5 54.6 16.7 13 13 1 I H 3< S+ 0 0 16 -4,-2.1 7,-0.2 1,-0.3 -2,-0.2 0.806 94.5 65.7 -66.4 -26.8 -1.1 55.8 17.4 14 14 1 L T 3< S+ 0 0 95 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.3 0.792 83.1 91.9 -65.0 -24.1 -2.2 52.6 15.8 15 15 1 L S X> S- 0 0 23 -3,-1.0 3,-2.1 -5,-0.2 4,-1.7 -0.587 74.6-145.6 -75.9 123.5 -0.5 50.7 18.7 16 16 1 D T 34 S+ 0 0 152 -2,-0.5 -1,-0.2 1,-0.3 6,-0.1 0.825 97.5 61.8 -60.8 -27.8 -3.1 50.1 21.5 17 17 1 D T 34 S+ 0 0 76 1,-0.1 -1,-0.3 2,-0.0 -4,-0.1 0.644 122.7 19.1 -71.3 -16.2 -0.3 50.6 24.1 18 18 1 I T <> S+ 0 0 0 -3,-2.1 4,-2.3 -6,-0.3 5,-0.3 0.668 87.0 141.1-115.5 -68.2 0.2 54.2 22.9 19 19 1 A H X S- 0 0 24 -4,-1.7 4,-1.8 -7,-0.9 5,-0.2 -0.051 76.7 -39.8 57.5-161.7 -2.8 55.3 21.0 20 20 1 L H > S+ 0 0 95 -7,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 141.2 45.7 -68.5 -43.6 -4.2 58.9 21.3 21 21 1 D H > S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 113.2 50.3 -68.8 -38.2 -3.7 59.3 25.0 22 22 1 G H X S+ 0 0 4 -4,-2.3 4,-1.9 2,-0.2 -3,-0.2 0.881 111.4 48.0 -66.8 -36.8 -0.2 57.9 24.9 23 23 1 Q H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.898 108.9 53.5 -68.9 -37.9 0.8 60.2 22.1 24 24 1 Q H X S+ 0 0 66 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.894 106.7 54.0 -62.4 -40.0 -0.7 63.2 23.9 25 25 1 K H < S+ 0 0 123 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.914 108.6 47.5 -62.3 -43.4 1.5 62.2 26.9 26 26 1 L H >< S+ 0 0 0 -4,-1.9 27,-2.6 1,-0.2 3,-1.5 0.929 110.7 52.7 -61.7 -43.7 4.6 62.2 24.7 27 27 1 L H 3< S+ 0 0 31 -4,-2.7 -1,-0.2 25,-0.3 -2,-0.2 0.806 109.9 48.5 -62.5 -25.9 3.5 65.6 23.2 28 28 1 D T 3< S+ 0 0 118 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.428 99.7 95.5 -91.2 -1.4 3.2 67.0 26.8 29 29 1 S < - 0 0 6 -3,-1.5 25,-1.7 -4,-0.4 2,-0.4 -0.492 59.6-148.3 -94.9 165.8 6.6 65.7 27.9 30 30 1 Q E -a 54 0A 43 23,-0.2 90,-3.4 -2,-0.2 91,-1.2 -0.991 11.0-168.2-133.5 126.2 10.1 67.2 28.1 31 31 1 V E -ab 55 121A 0 23,-2.6 25,-2.9 -2,-0.4 2,-0.6 -0.951 9.5-153.3-120.5 132.9 13.3 65.2 27.5 32 32 1 L E -ab 56 122A 1 89,-1.9 91,-3.2 -2,-0.4 2,-0.6 -0.913 9.5-167.4-101.9 120.2 16.8 66.5 28.3 33 33 1 I E -ab 57 123A 0 23,-3.3 25,-2.9 -2,-0.6 2,-0.8 -0.941 3.7-162.4-111.6 112.4 19.5 64.8 26.1 34 34 1 I E +ab 58 124A 10 89,-2.7 91,-2.5 -2,-0.6 25,-0.2 -0.846 65.1 24.1 -98.7 106.3 23.0 65.5 27.5 35 35 1 G - 0 0 9 23,-3.0 2,-0.2 -2,-0.8 24,-0.2 0.371 61.2-148.5 108.2 118.7 25.7 64.8 24.8 36 36 1 L + 0 0 0 4,-0.1 -1,-0.1 3,-0.1 37,-0.1 -0.429 63.2 97.1-114.8 57.3 25.0 64.9 21.0 37 37 1 G S > S- 0 0 8 88,-0.5 4,-2.4 264,-0.3 36,-0.1 -0.035 95.9 -32.3-115.8-140.7 27.5 62.3 19.8 38 38 1 G T 4 S+ 0 0 0 1,-0.2 150,-0.2 2,-0.2 34,-0.2 0.830 141.7 33.6 -51.7 -39.9 27.2 58.6 19.0 39 39 1 L T > S+ 0 0 0 262,-1.8 4,-1.6 86,-0.3 -1,-0.2 0.902 119.0 48.4 -82.9 -47.1 24.5 58.0 21.6 40 40 1 G H > S+ 0 0 0 261,-0.5 4,-2.6 85,-0.4 5,-0.2 0.802 102.1 59.0 -69.6 -29.8 22.6 61.3 21.5 41 41 1 T H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.948 109.5 40.5 -71.7 -47.0 22.1 61.8 17.9 42 42 1 P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.962 116.7 53.2 -65.6 -37.6 20.2 58.6 17.1 43 43 1 A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.925 110.2 45.6 -59.7 -42.0 18.3 59.1 20.3 44 44 1 A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.896 110.3 54.7 -67.8 -38.9 17.3 62.7 19.5 45 45 1 L H X S+ 0 0 9 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.910 112.7 42.2 -60.0 -43.1 16.3 61.7 16.0 46 46 1 Y H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.868 113.8 51.1 -73.8 -34.8 13.9 59.0 17.3 47 47 1 L H <>S+ 0 0 0 -4,-2.4 5,-2.0 -5,-0.3 4,-0.5 0.900 111.2 47.6 -70.9 -36.1 12.5 61.1 20.0 48 48 1 A H ><5S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.929 113.1 49.1 -68.0 -41.6 11.8 64.0 17.7 49 49 1 G H 3<5S+ 0 0 1 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.887 107.8 55.5 -64.2 -34.3 10.1 61.6 15.2 50 50 1 A T 3<5S- 0 0 1 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.559 118.1-109.8 -77.6 -10.3 8.1 60.1 18.0 51 51 1 G T < 5 + 0 0 0 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.797 46.9 174.2 90.9 25.5 6.6 63.4 19.0 52 52 1 V < - 0 0 0 -5,-2.0 -25,-0.3 1,-0.1 -1,-0.2 -0.600 34.5-132.3 -66.2 126.5 8.2 64.2 22.4 53 53 1 G S S+ 0 0 10 -27,-2.6 46,-3.2 -2,-0.4 2,-0.4 0.817 81.9 15.6 -53.4 -46.2 6.8 67.8 22.9 54 54 1 T E -ac 30 99A 31 -25,-1.7 -23,-2.6 44,-0.2 2,-0.5 -0.992 62.6-169.0-141.1 130.0 10.1 69.4 23.9 55 55 1 L E -ac 31 100A 0 44,-2.7 46,-2.9 -2,-0.4 2,-0.6 -0.987 7.6-158.9-114.1 126.0 13.6 68.2 23.5 56 56 1 V E -ac 32 101A 12 -25,-2.9 -23,-3.3 -2,-0.5 2,-0.6 -0.934 11.7-161.5-106.9 117.1 16.4 70.0 25.2 57 57 1 L E -ac 33 102A 0 44,-3.4 46,-3.1 -2,-0.6 2,-0.5 -0.882 6.9-170.7-105.3 113.6 19.7 69.2 23.4 58 58 1 A E +ac 34 103A 3 -25,-2.9 -23,-3.0 -2,-0.6 2,-0.3 -0.893 24.9 124.9-112.0 124.1 22.9 69.9 25.4 59 59 1 D - 0 0 23 44,-2.2 46,-0.4 -2,-0.5 25,-0.4 -0.897 35.8-161.1-167.3 143.8 26.5 69.8 24.0 60 60 1 D + 0 0 80 -2,-0.3 2,-0.2 44,-0.2 46,-0.1 0.092 62.4 97.7-118.7 26.7 29.5 72.2 23.8 61 61 1 D - 0 0 73 44,-0.1 22,-2.7 3,-0.0 23,-0.4 -0.615 65.4-128.3-106.5 166.9 31.5 70.6 21.0 62 62 1 D B -M 82 0B 63 20,-0.3 2,-0.2 -2,-0.2 17,-0.1 -0.801 37.7 -90.7-108.5 159.9 31.6 71.5 17.3 63 63 1 V - 0 0 0 18,-2.9 17,-3.2 15,-0.4 2,-0.4 -0.483 45.5-169.5 -72.0 133.8 31.1 69.0 14.5 64 64 1 H >> - 0 0 73 -2,-0.2 3,-2.6 15,-0.2 4,-0.6 -0.938 32.5-116.7-124.5 147.5 34.3 67.4 13.3 65 65 1 L G >4 S+ 0 0 37 -2,-0.4 3,-1.5 1,-0.3 4,-0.3 0.887 114.7 57.5 -47.8 -47.6 34.9 65.2 10.2 66 66 1 S G 34 S+ 0 0 10 1,-0.3 3,-0.4 2,-0.1 247,-0.3 0.613 96.5 67.5 -63.5 -10.4 35.9 62.1 12.4 67 67 1 N G X> S+ 0 0 9 -3,-2.6 4,-2.3 1,-0.2 3,-2.0 0.775 81.2 75.8 -75.8 -31.6 32.4 62.4 14.1 68 68 1 L T << S+ 0 0 1 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.1 0.655 75.7 75.1 -61.0 -19.4 30.5 61.5 10.9 69 69 1 Q T 34 S+ 0 0 1 -3,-0.4 -1,-0.3 241,-0.4 112,-0.1 0.695 123.6 2.3 -67.2 -18.2 31.3 57.7 11.2 70 70 1 R T <4 S+ 0 0 23 -3,-2.0 2,-1.2 1,-0.1 -2,-0.2 0.513 108.6 85.3-145.9 -11.3 28.8 57.5 14.0 71 71 1 Q >< - 0 0 7 -4,-2.3 3,-1.6 1,-0.2 -1,-0.1 -0.714 55.8-179.5-101.9 83.8 27.0 60.9 14.7 72 72 1 I T 3 + 0 0 11 -2,-1.2 -1,-0.2 1,-0.3 -4,-0.1 0.427 67.6 69.4 -65.6 -9.0 24.3 60.4 12.0 73 73 1 L T 3 S+ 0 0 12 -36,-0.1 -1,-0.3 -37,-0.1 2,-0.1 0.722 92.6 75.6 -82.1 -20.2 22.4 63.6 12.5 74 74 1 F < - 0 0 1 -3,-1.6 2,-0.3 -7,-0.1 9,-0.0 -0.410 60.6-159.8 -94.5 163.9 25.4 65.6 11.1 75 75 1 T > - 0 0 10 -2,-0.1 3,-1.8 1,-0.1 4,-0.4 -0.875 38.2 -99.0-134.0 168.7 26.8 66.2 7.6 76 76 1 T G > S+ 0 0 45 319,-2.6 3,-1.2 -2,-0.3 320,-0.1 0.847 120.8 59.4 -58.4 -32.6 30.0 67.3 6.0 77 77 1 E G 3 S+ 0 0 120 318,-0.3 -1,-0.3 1,-0.2 319,-0.1 0.619 96.8 62.5 -73.6 -8.6 28.7 70.8 5.6 78 78 1 D G X S+ 0 0 0 -3,-1.8 3,-2.4 2,-0.1 -15,-0.4 0.549 72.7 131.2 -89.6 -7.9 28.2 71.1 9.4 79 79 1 I T < S+ 0 0 48 -3,-1.2 -15,-0.2 -4,-0.4 -3,-0.0 -0.241 75.5 13.7 -52.5 130.9 31.9 70.7 10.1 80 80 1 D T 3 S+ 0 0 119 -17,-3.2 -1,-0.3 1,-0.3 -16,-0.1 0.408 100.3 118.1 81.0 4.8 33.1 73.4 12.6 81 81 1 R S < S- 0 0 74 -3,-2.4 -18,-2.9 -18,-0.1 -1,-0.3 -0.729 78.9 -91.1 -99.1 155.4 29.6 74.4 13.5 82 82 1 P B > -M 62 0B 22 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.441 32.6-137.1 -62.8 126.1 28.3 74.0 17.2 83 83 1 K H > S+ 0 0 9 -22,-2.7 4,-2.6 1,-0.2 5,-0.2 0.871 99.8 53.7 -55.3 -42.2 26.6 70.5 17.6 84 84 1 S H > S+ 0 0 2 -25,-0.4 4,-2.0 -23,-0.4 -1,-0.2 0.884 112.3 45.4 -64.1 -33.9 23.6 71.8 19.6 85 85 1 Q H > S+ 0 0 81 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.901 113.7 46.9 -74.2 -42.5 22.8 74.3 16.9 86 86 1 V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.907 113.9 50.5 -64.4 -39.7 23.2 72.0 14.0 87 87 1 S H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.931 108.8 50.5 -63.3 -46.6 21.1 69.4 15.9 88 88 1 Q H X S+ 0 0 69 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.895 113.7 46.5 -58.7 -41.4 18.4 71.9 16.5 89 89 1 Q H X S+ 0 0 52 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.938 115.1 43.3 -66.9 -51.9 18.4 72.8 12.8 90 90 1 R H X S+ 0 0 28 -4,-3.0 4,-1.5 1,-0.2 3,-0.2 0.915 114.1 50.9 -64.3 -43.0 18.4 69.3 11.4 91 91 1 L H X S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.3 -1,-0.2 0.836 105.6 56.9 -65.1 -31.8 15.8 68.0 13.9 92 92 1 T H < S+ 0 0 60 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.878 103.6 53.1 -62.6 -38.2 13.5 70.9 13.1 93 93 1 Q H < S+ 0 0 39 -4,-1.4 285,-2.8 -3,-0.2 286,-0.3 0.867 112.0 46.2 -64.7 -38.4 13.6 69.8 9.4 94 94 1 L H < S+ 0 0 3 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.944 136.1 6.3 -68.9 -47.9 12.5 66.3 10.6 95 95 1 N >< + 0 0 0 -4,-2.8 3,-0.8 -5,-0.1 -1,-0.3 -0.822 60.4 173.5-140.8 99.4 9.7 67.6 12.9 96 96 1 P T 3 S+ 0 0 65 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.492 72.5 73.9 -84.9 2.0 8.9 71.4 12.9 97 97 1 D T 3 S+ 0 0 54 -5,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.394 85.4 64.5 -98.6 5.2 6.0 70.9 15.2 98 98 1 I S < S- 0 0 22 -3,-0.8 2,-0.5 -6,-0.1 -44,-0.2 -0.709 90.0 -95.4-116.7 175.9 7.7 70.2 18.5 99 99 1 Q E -c 54 0A 108 -46,-3.2 -44,-2.7 -2,-0.2 2,-0.5 -0.807 35.3-171.8 -96.9 123.4 9.9 72.4 20.7 100 100 1 L E -c 55 0A 9 -2,-0.5 2,-0.5 -46,-0.2 -44,-0.2 -0.963 2.3-172.9-116.1 114.6 13.6 72.0 20.2 101 101 1 T E -c 56 0A 46 -46,-2.9 -44,-3.4 -2,-0.5 2,-0.5 -0.930 8.0-155.4-112.1 127.9 15.9 73.9 22.7 102 102 1 A E -c 57 0A 29 -2,-0.5 2,-0.6 -46,-0.2 -44,-0.2 -0.866 6.8-167.8-104.7 131.2 19.6 74.0 22.1 103 103 1 L E -c 58 0A 43 -46,-3.1 -44,-2.2 -2,-0.5 2,-1.5 -0.931 5.9-162.4-117.6 105.2 22.1 74.5 25.0 104 104 1 Q + 0 0 120 -2,-0.6 2,-0.3 -46,-0.2 -44,-0.2 -0.640 57.1 73.6 -87.3 83.0 25.6 75.2 23.7 105 105 1 Q S S- 0 0 76 -2,-1.5 2,-1.0 -46,-0.4 -44,-0.1 -0.991 90.9 -84.6-176.4 171.5 27.6 74.5 26.8 106 106 1 R - 0 0 167 -2,-0.3 2,-0.5 -46,-0.1 6,-0.1 -0.855 51.3-137.7 -95.8 102.2 29.0 72.1 29.3 107 107 1 L + 0 0 12 -2,-1.0 2,-0.3 -4,-0.1 -47,-0.0 -0.517 46.6 136.0 -64.5 116.4 25.9 71.6 31.6 108 108 1 T >> + 0 0 56 -2,-0.5 4,-1.2 26,-0.0 3,-1.0 -0.934 46.9 1.2-155.2 170.6 27.1 71.6 35.1 109 109 1 G H 3> S- 0 0 41 -2,-0.3 4,-2.2 1,-0.2 3,-0.3 -0.100 125.0 -3.9 50.0-134.3 26.4 73.0 38.5 110 110 1 E H 3> S+ 0 0 168 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.838 134.6 54.4 -60.2 -41.4 23.2 75.2 38.7 111 111 1 A H <> S+ 0 0 42 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.851 107.9 49.8 -63.7 -38.8 22.5 75.1 35.0 112 112 1 L H X S+ 0 0 3 -4,-1.2 4,-2.6 -3,-0.3 5,-0.3 0.962 110.6 51.9 -65.0 -48.7 22.5 71.3 35.0 113 113 1 K H X S+ 0 0 122 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.857 108.6 48.8 -57.7 -39.9 20.1 71.3 38.0 114 114 1 D H X S+ 0 0 80 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.867 113.2 47.7 -69.1 -34.2 17.6 73.6 36.4 115 115 1 A H X S+ 0 0 10 -4,-1.6 4,-1.2 -3,-0.2 -2,-0.2 0.917 112.9 46.4 -74.2 -39.5 17.5 71.6 33.2 116 116 1 V H < S+ 0 0 0 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.869 110.2 57.4 -67.0 -36.5 17.1 68.2 35.1 117 117 1 A H < S+ 0 0 51 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.958 109.7 42.3 -59.4 -51.5 14.4 69.9 37.1 118 118 1 R H < S+ 0 0 158 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.699 99.8 90.6 -69.2 -21.2 12.4 70.9 34.1 119 119 1 A < - 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