==== 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 OXIDOREDUCTASE (ALDEHYDE(D)-NAD+(A)) 24-OCT-95 1GAE . COMPND 2 MOLECULE: D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.DUEE,L.OLIVIER-DEYRIS,E.FANCHON,C.CORBIER,G.BRANLANT,O.DID . 660 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 12.7 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 55 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 5 0 0 0 1 2 2 0 1 1 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 6 0 2 0 2 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 2 4 4 0 0 0 2 2 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 2 0 0 0 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 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 0 O T 0 0 109 0, 0.0 2,-0.5 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 149.2 31.1 82.7 9.0 2 1 O I E -a 26 0A 28 23,-3.3 25,-2.5 88,-0.0 2,-0.7 -0.811 360.0-139.3 -88.5 124.6 27.7 84.4 8.9 3 2 O K E -a 27 0A 73 -2,-0.5 87,-3.0 85,-0.2 88,-1.6 -0.815 24.3-167.9 -90.8 116.7 27.2 86.3 12.1 4 3 O V E -ab 28 91A 0 23,-2.8 25,-2.4 -2,-0.7 26,-0.9 -0.777 12.8-158.0-107.8 149.8 23.7 86.0 13.4 5 4 O G E -ab 30 92A 0 86,-1.9 88,-3.1 -2,-0.3 2,-0.5 -0.971 12.7-144.3-123.6 138.6 21.8 87.8 16.1 6 5 O I E -ab 31 93A 1 24,-2.6 26,-2.0 -2,-0.4 2,-0.7 -0.923 8.2-165.8-109.3 128.6 18.7 86.3 17.8 7 6 O N E S+ab 32 94A 4 86,-2.6 88,-2.4 -2,-0.5 89,-0.3 -0.932 73.6 24.8-112.6 107.6 15.8 88.5 18.9 8 7 O G - 0 0 6 24,-2.9 2,-0.8 -2,-0.7 -1,-0.2 0.639 65.6-150.6 103.3 97.2 13.6 86.6 21.3 9 8 O F + 0 0 0 23,-0.1 -1,-0.1 4,-0.1 24,-0.1 -0.358 54.9 123.8 -93.3 51.0 15.3 83.8 23.2 10 9 O G S > S- 0 0 28 -2,-0.8 4,-2.9 85,-0.3 5,-0.3 -0.024 83.3 -57.8 -90.5-156.5 12.1 81.7 23.5 11 10 O R H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.935 138.9 37.1 -51.0 -58.3 11.6 78.1 22.5 12 11 O I H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 116.5 52.8 -62.9 -45.6 12.5 78.6 18.8 13 12 O G H > S+ 0 0 1 82,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.876 110.4 48.7 -59.2 -37.7 15.2 81.1 19.6 14 13 O R H X S+ 0 0 18 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.908 112.7 45.4 -71.0 -42.5 16.9 78.7 22.0 15 14 O I H X S+ 0 0 8 -4,-2.0 4,-2.9 -5,-0.3 5,-0.2 0.845 109.9 55.1 -71.2 -31.9 16.7 75.7 19.6 16 15 O V H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.930 111.1 48.1 -63.6 -39.7 18.0 77.9 16.8 17 16 O F H X S+ 0 0 0 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.935 112.3 45.3 -65.1 -50.4 20.9 78.6 19.2 18 17 O R H >< S+ 0 0 38 -4,-2.6 3,-0.7 1,-0.2 4,-0.4 0.946 115.2 49.4 -59.4 -46.3 21.6 75.0 20.1 19 18 O A H >< S+ 0 0 6 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.884 104.3 58.2 -60.7 -40.9 21.4 74.0 16.5 20 19 O A H >< S+ 0 0 3 -4,-2.4 3,-2.2 1,-0.3 6,-0.2 0.809 92.2 70.2 -61.3 -28.6 23.8 76.8 15.4 21 20 O Q T << S+ 0 0 69 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.749 97.1 52.1 -60.9 -23.0 26.4 75.3 17.7 22 21 O K T < S+ 0 0 181 -3,-1.6 2,-0.5 -4,-0.4 -1,-0.3 0.300 95.8 86.4 -97.2 10.7 26.7 72.4 15.4 23 22 O R < - 0 0 53 -3,-2.2 3,-0.2 3,-0.2 -1,-0.0 -0.949 55.1-166.8-119.0 122.2 27.3 74.6 12.3 24 23 O S S S+ 0 0 113 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.687 89.5 52.2 -76.3 -21.7 30.7 75.9 11.3 25 24 O D S S+ 0 0 60 -24,-0.1 -23,-3.3 -5,-0.0 2,-0.4 0.687 103.6 60.1 -90.0 -20.9 29.3 78.5 8.9 26 25 O I E -a 2 0A 6 -6,-0.2 2,-0.4 -25,-0.2 -3,-0.2 -0.867 61.6-175.1-110.9 144.2 26.8 80.2 11.2 27 26 O E E -a 3 0A 47 -25,-2.5 -23,-2.8 -2,-0.4 2,-0.5 -0.953 18.2-144.2-144.3 118.5 27.8 81.9 14.4 28 27 O I E +a 4 0A 11 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.713 26.8 164.4 -82.3 125.0 25.5 83.5 17.0 29 28 O V E + 0 0 15 -25,-2.4 43,-2.0 -2,-0.5 2,-0.3 0.508 59.1 26.7-118.4 -9.7 27.1 86.6 18.5 30 29 O A E -ac 5 72A 0 -26,-0.9 -24,-2.6 41,-0.2 2,-0.3 -0.994 52.7-166.5-157.9 148.2 24.2 88.4 20.2 31 30 O I E -ac 6 73A 0 41,-2.6 43,-1.7 -2,-0.3 2,-0.4 -0.978 6.3-165.4-134.2 143.2 20.9 87.7 21.8 32 31 O N E +ac 7 74A 3 -26,-2.0 -24,-2.9 -2,-0.3 2,-0.3 -0.996 26.5 131.2-134.3 127.9 18.1 90.2 22.8 33 32 O D - 0 0 31 41,-2.0 -2,-0.1 -2,-0.4 44,-0.0 -0.953 62.4-106.7-162.4 166.4 15.2 89.4 25.1 34 33 O L S S+ 0 0 86 -2,-0.3 2,-0.3 41,-0.1 41,-0.1 -0.127 90.1 94.0 -93.6 35.7 13.5 91.0 28.1 35 34 O L S S- 0 0 52 39,-0.3 -2,-0.2 2,-0.0 2,-0.1 -0.922 81.6-104.4-124.5 151.3 15.0 88.4 30.5 36 36 O D >> - 0 0 103 -2,-0.3 4,-2.3 1,-0.1 3,-0.7 -0.453 30.8-112.5 -77.1 150.7 18.2 88.7 32.5 37 37 O A H 3> S+ 0 0 8 1,-0.3 4,-2.8 25,-0.2 5,-0.2 0.845 115.7 58.5 -47.2 -42.1 21.3 86.8 31.4 38 38 O D H 3> S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.908 109.4 41.9 -57.5 -46.3 21.1 84.6 34.5 39 39 O Y H <> S+ 0 0 113 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.911 113.9 52.2 -69.6 -40.9 17.6 83.3 33.6 40 40 O M H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.891 108.1 52.1 -61.6 -40.3 18.5 83.0 29.9 41 41 O A H X S+ 0 0 4 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.902 109.5 50.2 -62.6 -41.0 21.5 80.9 30.8 42 42 O Y H X S+ 0 0 126 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.942 110.4 48.5 -63.3 -48.1 19.3 78.7 32.9 43 43 O M H < S+ 0 0 40 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.752 114.2 46.9 -64.7 -26.9 16.8 78.2 30.1 44 44 O L H < S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.893 112.4 50.7 -78.5 -42.6 19.7 77.4 27.7 45 45 O K H < S+ 0 0 67 -4,-2.7 8,-2.3 -5,-0.2 2,-0.4 0.889 115.2 38.0 -62.0 -45.4 21.3 75.0 30.2 46 46 O Y < + 0 0 101 -4,-2.4 2,-0.4 6,-0.2 6,-0.2 -0.929 58.7 168.7-119.2 135.7 18.2 72.9 30.9 47 47 O D > - 0 0 17 -2,-0.4 4,-1.4 1,-0.1 -3,-0.0 -0.979 28.4-149.2-144.6 128.4 15.3 71.7 28.7 48 48 O S T 4 S+ 0 0 134 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.777 101.7 32.3 -64.3 -27.3 12.6 69.2 29.5 49 49 O T T 4 S+ 0 0 35 2,-0.1 -1,-0.2 186,-0.1 187,-0.1 0.852 127.9 32.2 -98.0 -43.8 12.4 68.1 25.9 50 50 O H T 4 S- 0 0 43 1,-0.3 -2,-0.2 235,-0.0 -1,-0.1 0.413 100.9-133.0 -97.4 -2.4 15.9 68.5 24.4 51 51 O G < - 0 0 31 -4,-1.4 -1,-0.3 2,-0.0 -2,-0.1 -0.248 49.2 -21.2 80.2-173.1 17.9 67.7 27.5 52 52 O R S S- 0 0 186 -6,-0.2 -6,-0.2 1,-0.1 2,-0.1 -0.419 77.0 -93.6 -73.1 150.4 20.8 69.6 28.9 53 53 O F - 0 0 21 -8,-2.3 2,-1.7 -9,-0.1 -1,-0.1 -0.407 32.2-128.7 -66.0 131.6 22.9 71.9 26.8 54 54 O D S S+ 0 0 157 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.602 79.9 23.7 -83.6 78.0 26.0 70.2 25.3 55 55 O G S S- 0 0 36 -2,-1.7 2,-0.4 -10,-0.1 -2,-0.1 -0.953 96.6 -53.1 157.6-171.3 28.6 72.7 26.4 56 56 O T - 0 0 94 -2,-0.3 11,-3.0 2,-0.0 2,-0.4 -0.832 37.9-176.8-104.7 135.8 29.5 75.4 28.9 57 57 O V E +G 66 0B 22 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.994 12.9 163.2-131.9 121.5 27.3 78.4 29.7 58 58 O E E -G 65 0B 127 7,-1.8 7,-2.3 -2,-0.4 2,-0.5 -0.935 31.0-129.7-136.1 157.2 28.5 81.1 32.1 59 59 O V E +G 64 0B 45 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.957 28.8 167.0-114.8 124.5 27.5 84.7 32.9 60 60 O K E > S-G 63 0B 91 3,-2.4 3,-1.7 -2,-0.5 -2,-0.0 -0.994 72.0 -9.1-138.4 124.2 30.1 87.4 33.0 61 61 O D T 3 S- 0 0 132 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.838 126.8 -58.8 58.1 36.4 29.3 91.1 33.0 62 62 O G T 3 S+ 0 0 44 1,-0.2 2,-0.3 10,-0.1 -1,-0.3 0.646 117.4 109.3 69.9 14.3 25.7 90.4 32.3 63 63 O H E < S-G 60 0B 45 -3,-1.7 -3,-2.4 9,-0.1 -1,-0.2 -0.889 71.3-112.1-121.9 151.4 26.7 88.6 29.1 64 64 O L E -GH 59 71B 0 7,-1.4 7,-3.1 -2,-0.3 2,-0.4 -0.539 18.8-162.2 -82.2 147.5 26.5 85.0 28.2 65 65 O I E -GH 58 70B 26 -7,-2.3 -7,-1.8 5,-0.2 2,-0.6 -0.888 15.0-178.4-131.0 94.0 29.7 83.0 27.7 66 66 O V E > S-GH 57 69B 2 3,-1.9 3,-2.1 -2,-0.4 -9,-0.2 -0.892 70.0 -17.3-101.9 122.1 28.8 79.9 25.8 67 67 O N T 3 S- 0 0 71 -11,-3.0 -1,-0.2 -2,-0.6 -10,-0.1 0.858 128.4 -53.8 52.8 40.5 31.7 77.4 25.0 68 68 O G T 3 S+ 0 0 64 -3,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.127 114.2 116.8 85.0 -21.6 34.2 80.2 25.7 69 69 O K E < -H 66 0B 116 -3,-2.1 -3,-1.9 1,-0.0 2,-0.4 -0.636 63.9-129.0 -85.4 135.5 32.6 82.6 23.2 70 70 O K E -H 65 0B 125 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.668 21.4-164.0 -83.9 135.1 31.2 85.9 24.6 71 71 O I E -H 64 0B 4 -7,-3.1 -7,-1.4 -2,-0.4 2,-0.4 -0.981 19.7-126.3-124.8 120.1 27.7 86.6 23.4 72 72 O R E -c 30 0A 37 -43,-2.0 -41,-2.6 -2,-0.5 2,-0.4 -0.526 25.0-161.4 -69.9 119.5 26.3 90.2 23.8 73 73 O V E +c 31 0A 17 -2,-0.4 2,-0.3 -43,-0.2 -41,-0.2 -0.873 13.9 172.9-104.5 131.8 23.0 90.1 25.7 74 74 O T E -c 32 0A 34 -43,-1.7 -41,-2.0 -2,-0.4 -39,-0.3 -0.874 28.4-147.4-132.0 166.7 20.7 93.1 25.5 75 75 O A + 0 0 66 -2,-0.3 2,-0.5 -43,-0.2 -41,-0.1 -0.415 37.1 153.9-134.2 56.0 17.1 93.9 26.7 76 76 O E - 0 0 74 1,-0.1 -2,-0.1 6,-0.0 6,-0.1 -0.782 30.5-169.3 -93.4 123.8 15.7 96.2 24.1 77 77 O R S S+ 0 0 197 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.691 81.5 64.9 -78.0 -19.6 11.9 96.2 23.7 78 78 O D S > S- 0 0 51 1,-0.1 3,-2.0 -3,-0.1 4,-0.2 -0.917 70.7-155.6-111.7 115.1 12.5 98.2 20.5 79 79 O P G > S+ 0 0 2 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.804 93.2 66.7 -53.9 -35.0 14.4 96.5 17.6 80 80 O A G 3 S+ 0 0 34 1,-0.3 3,-0.4 2,-0.1 -3,-0.0 0.762 97.6 53.5 -60.5 -25.5 15.5 99.9 16.3 81 81 O N G < S+ 0 0 81 -3,-2.0 -1,-0.3 1,-0.2 27,-0.1 0.380 80.5 100.8 -91.9 5.6 17.6 100.4 19.4 82 82 O L < - 0 0 3 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 0.671 66.9-151.8 -68.2 -22.4 19.5 97.1 19.0 83 83 O K >> + 0 0 118 -3,-0.4 3,-1.5 -4,-0.2 4,-0.6 0.850 25.5 170.0 52.6 42.8 22.8 98.4 17.4 84 84 O W G >4>S+ 0 0 0 27,-0.7 5,-2.1 1,-0.3 3,-1.1 0.828 70.9 63.2 -52.2 -35.3 23.3 95.1 15.5 85 85 O D G >45S+ 0 0 94 26,-1.4 3,-1.1 1,-0.2 -1,-0.3 0.843 89.0 67.7 -59.6 -34.7 26.2 96.8 13.7 86 86 O E G <45S+ 0 0 136 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.788 111.4 33.3 -57.8 -30.5 28.2 97.3 16.9 87 87 O V G <<5S- 0 0 37 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.364 117.2-111.2-108.0 2.5 28.7 93.5 17.1 88 88 O G T < 5 - 0 0 31 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.2 0.847 46.9-179.8 72.7 37.3 28.8 92.9 13.4 89 89 O V < - 0 0 1 -5,-2.1 25,-0.3 1,-0.2 -1,-0.2 -0.544 13.5-179.4 -74.5 128.5 25.5 91.1 12.9 90 90 O D + 0 0 54 -87,-3.0 25,-2.1 1,-0.3 24,-1.8 0.904 69.9 19.2 -89.0 -58.2 24.8 90.0 9.3 91 91 O V E -bd 4 115A 1 -88,-1.6 -86,-1.9 23,-0.2 2,-0.5 -0.920 68.5-146.1-120.2 142.7 21.4 88.3 9.7 92 92 O V E -bd 5 116A 0 23,-2.3 25,-2.9 -2,-0.4 2,-1.0 -0.920 7.5-146.2-110.1 125.1 18.9 88.5 12.5 93 93 O A E -bd 6 117A 1 -88,-3.1 -86,-2.6 -2,-0.5 2,-1.1 -0.825 19.1-154.2 -88.1 105.1 16.8 85.6 13.5 94 94 O E E +bd 7 118A 0 23,-3.0 25,-2.5 -2,-1.0 -86,-0.1 -0.763 33.0 152.0 -86.2 100.1 13.5 87.4 14.4 95 95 O A + 0 0 16 -88,-2.4 -82,-0.3 -2,-1.1 -85,-0.3 0.089 38.7 95.0-120.1 22.1 11.9 85.0 16.9 96 96 O T S S- 0 0 46 -89,-0.3 -1,-0.1 -84,-0.1 -88,-0.1 0.758 81.3-134.2 -81.2 -25.5 9.8 87.1 19.3 97 97 O G S S+ 0 0 48 -3,-0.1 3,-0.2 2,-0.1 -2,-0.1 0.500 86.2 92.7 82.5 6.7 6.7 86.5 17.2 98 98 O L S S+ 0 0 127 1,-0.2 2,-0.5 6,-0.0 6,-0.1 0.720 75.8 52.6-102.4 -27.1 5.9 90.2 17.5 99 99 O F + 0 0 36 1,-0.1 -1,-0.2 5,-0.1 -2,-0.1 -0.566 57.7 137.9-114.7 66.8 7.6 91.6 14.4 100 100 O L + 0 0 18 -2,-0.5 23,-2.8 -3,-0.2 24,-0.8 -0.136 54.9 82.0 -99.7 36.8 6.1 89.5 11.5 101 101 O T S > S- 0 0 36 21,-0.2 4,-3.0 22,-0.2 5,-0.3 -0.963 84.2-121.0-140.2 149.8 5.7 92.6 9.2 102 102 O D H > S+ 0 0 53 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.929 112.5 55.6 -57.5 -46.8 8.1 94.4 7.0 103 103 O E H 4 S+ 0 0 164 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.940 117.0 33.8 -48.0 -58.7 7.5 97.7 8.9 104 104 O T H >4 S+ 0 0 39 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.908 120.5 47.7 -67.7 -46.9 8.4 96.2 12.3 105 105 O A H >< S+ 0 0 0 -4,-3.0 3,-1.9 1,-0.2 4,-0.4 0.820 99.6 68.1 -67.1 -30.8 11.1 93.7 11.1 106 106 O R T >X S+ 0 0 81 -4,-2.8 4,-1.8 -5,-0.3 3,-1.4 0.738 80.1 79.3 -63.4 -19.3 12.8 96.4 9.0 107 107 O K H <> S+ 0 0 81 -3,-1.0 4,-2.1 -4,-0.4 -1,-0.3 0.826 85.4 61.3 -57.4 -29.8 13.8 98.2 12.2 108 108 O H H <4>S+ 0 0 0 -3,-1.9 5,-2.7 -4,-0.2 -1,-0.3 0.817 102.1 50.5 -65.8 -32.1 16.6 95.6 12.4 109 109 O I H X45S+ 0 0 41 -3,-1.4 3,-1.9 -4,-0.4 -2,-0.2 0.919 109.1 50.5 -70.8 -43.3 18.0 96.9 9.2 110 110 O T H 3<5S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.879 106.2 58.0 -59.6 -36.9 17.8 100.4 10.6 111 111 O A T 3<5S- 0 0 6 -4,-2.1 -26,-1.4 -5,-0.2 -27,-0.7 0.337 131.9 -90.7 -76.7 4.3 19.7 99.0 13.6 112 112 O G T < 5S+ 0 0 14 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.409 83.0 130.7 105.8 -5.6 22.6 97.9 11.4 113 113 O A < - 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