==== 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 05-AUG-98 1BOT . COMPND 2 MOLECULE: PROTEIN (GLYCEROL KINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.ORMO,C.E.BYSTROM,S.J.REMINGTON . 995 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 767 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 149 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 82 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 3.2 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 3 1 3 3 3 5 1 4 1 1 0 0 0 0 4 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 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 0 PARALLEL BRIDGES PER LADDER . 5 3 4 5 3 3 5 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 . 5 2 0 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 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 3 O K 0 0 130 0, 0.0 70,-0.2 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0 77.2 22.6 64.0 61.1 2 4 O K + 0 0 130 1,-0.1 19,-0.6 69,-0.0 2,-0.5 0.313 360.0 75.4-102.5 7.1 25.4 61.4 61.3 3 5 O Y E -Ab 20 72A 39 68,-3.2 70,-1.2 17,-0.2 71,-0.9 -0.937 48.9-161.3-146.1 138.3 24.8 59.6 64.5 4 6 O I E -Ab 19 74A 0 15,-2.0 15,-2.8 -2,-0.5 2,-0.5 -0.609 22.2-156.2 -91.2 139.3 22.7 57.2 66.3 5 7 O V E -Ab 18 75A 0 69,-2.5 71,-3.1 -2,-0.3 2,-0.5 -0.988 0.7-153.3-127.3 134.0 22.8 57.2 70.0 6 8 O A E -Ab 17 76A 0 11,-2.8 11,-2.2 -2,-0.5 2,-0.8 -0.897 5.3-153.4-111.1 130.0 22.0 54.4 72.3 7 9 O L E -Ab 16 77A 2 69,-3.1 71,-3.2 -2,-0.5 2,-0.8 -0.879 14.1-170.8-100.4 110.5 20.7 54.7 75.7 8 10 O D E -Ab 15 78A 19 7,-2.0 7,-1.9 -2,-0.8 2,-1.5 -0.751 2.1-171.3-109.2 94.5 21.7 51.6 77.6 9 11 O Q E -Ab 14 79A 0 69,-2.6 71,-1.3 -2,-0.8 5,-0.2 -0.548 16.1-170.0 -84.4 87.7 20.0 51.5 81.0 10 12 O G - 0 0 13 3,-2.4 70,-0.2 -2,-1.5 4,-0.0 -0.065 36.7-113.1 -72.8 176.3 21.6 48.7 82.8 11 13 O T S S+ 0 0 11 1,-0.1 -1,-0.1 68,-0.1 3,-0.1 0.707 120.9 21.1 -70.6 -29.3 20.7 47.0 86.0 12 14 O T S S+ 0 0 28 1,-0.3 21,-1.3 23,-0.1 2,-0.3 0.473 130.8 19.7-116.8 -22.5 23.8 48.4 87.4 13 15 O S E - C 0 32A 13 19,-0.2 -3,-2.4 -5,-0.1 2,-0.4 -0.952 61.6-124.0-161.8 146.8 24.6 51.3 85.2 14 16 O S E -AC 9 31A 0 17,-2.1 17,-2.4 -2,-0.3 2,-0.3 -0.673 35.4-170.0 -90.7 131.7 23.4 53.7 82.8 15 17 O R E -AC 8 30A 25 -7,-1.9 -7,-2.0 -2,-0.4 2,-0.4 -0.845 14.4-162.5-127.2 163.6 25.2 53.9 79.5 16 18 O A E -AC 7 29A 0 13,-1.9 13,-1.7 -2,-0.3 2,-0.4 -0.988 9.1-169.5-147.5 132.3 25.4 55.9 76.4 17 19 O V E -AC 6 28A 0 -11,-2.2 -11,-2.8 -2,-0.4 2,-0.5 -0.977 12.2-157.7-134.2 142.8 26.7 55.2 73.1 18 20 O V E +AC 5 27A 0 9,-2.5 8,-4.7 -2,-0.4 9,-0.7 -0.936 20.1 175.0-110.9 126.7 27.5 57.1 70.0 19 21 O M E -AC 4 25A 1 -15,-2.8 -15,-2.0 -2,-0.5 6,-0.2 -0.989 17.0-140.4-139.4 143.5 27.7 55.3 66.8 20 22 O D E > -A 3 0A 32 4,-1.2 3,-4.3 -2,-0.4 -17,-0.2 -0.362 41.2 -89.0 -92.3 174.0 28.2 56.3 63.2 21 23 O H T 3 S+ 0 0 88 -19,-0.6 -18,-0.1 1,-0.3 -1,-0.1 0.864 130.5 60.1 -48.9 -35.4 26.7 55.2 59.9 22 24 O D T 3 S- 0 0 104 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.403 117.7-120.9 -74.2 3.6 29.5 52.8 59.9 23 25 O A < + 0 0 4 -3,-4.3 2,-0.3 1,-0.2 -2,-0.2 0.908 62.3 148.9 57.7 39.6 28.1 51.5 63.0 24 26 O N - 0 0 62 -4,-0.1 -4,-1.2 3,-0.0 2,-0.9 -0.743 56.3-110.9 -99.4 153.1 31.2 52.2 65.0 25 27 O I E +C 19 0A 52 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.764 35.9 177.6 -86.7 116.5 31.2 53.2 68.5 26 28 O I E - 0 0 67 -8,-4.7 2,-0.3 -2,-0.9 -1,-0.2 0.932 63.1 -14.7 -79.9 -47.3 32.3 56.7 68.5 27 29 O S E -C 18 0A 16 -9,-0.7 -9,-2.5 -3,-0.2 -1,-0.3 -0.984 57.6-156.2-158.3 152.3 32.1 57.3 72.2 28 30 O V E -C 17 0A 45 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.923 3.0-169.0-127.8 156.3 30.7 55.9 75.4 29 31 O S E -C 16 0A 6 -13,-1.7 -13,-1.9 -2,-0.3 2,-0.4 -0.999 5.3-169.6-149.3 140.0 29.7 57.0 78.8 30 32 O Q E -C 15 0A 93 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.997 6.4-178.2-136.2 132.8 28.8 55.1 82.0 31 33 O R E -C 14 0A 96 -17,-2.4 -17,-2.1 -2,-0.4 2,-0.2 -0.994 18.9-142.5-129.4 128.9 27.3 56.1 85.3 32 34 O E E -C 13 0A 128 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.619 15.9-161.3 -88.6 156.9 26.8 53.7 88.2 33 35 O F - 0 0 12 -21,-1.3 2,-0.2 -2,-0.2 17,-0.0 -0.858 31.1 -80.0-132.6 163.6 23.7 53.9 90.4 34 36 O E - 0 0 117 -2,-0.3 2,-0.8 12,-0.1 12,-0.4 -0.507 30.0-138.5 -75.9 133.7 23.0 52.6 93.8 35 37 O Q - 0 0 42 -2,-0.2 2,-0.8 10,-0.1 10,-0.2 -0.815 25.6-150.6 -86.3 107.2 22.0 49.1 94.3 36 38 O I B +F 44 0B 33 8,-2.2 8,-5.1 -2,-0.8 3,-0.1 -0.767 22.2 176.5 -96.6 117.2 19.3 49.3 96.8 37 39 O Y + 0 0 121 -2,-0.8 6,-0.1 6,-0.2 5,-0.1 -0.566 5.9 176.7-114.5 74.9 18.7 46.4 99.1 38 40 O P S S- 0 0 56 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.723 78.1 -21.8 -40.5 -27.3 15.9 47.4 101.5 39 41 O K S > S- 0 0 98 3,-0.2 3,-2.3 -3,-0.1 -3,-0.0 -0.825 95.6 -55.2 172.6 144.1 16.4 43.9 102.8 40 42 O P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 307,-0.1 0.123 126.4 18.8 -29.0 114.1 17.6 40.5 101.8 41 43 O G T 3 S+ 0 0 14 1,-0.4 63,-3.1 305,-0.2 2,-0.4 0.477 106.8 109.6 95.1 -0.2 15.9 39.4 98.7 42 44 O W < - 0 0 53 -3,-2.3 -1,-0.4 61,-0.2 2,-0.4 -0.869 42.6-179.8-112.3 146.4 15.0 42.9 98.0 43 45 O V + 0 0 6 -2,-0.4 57,-1.9 57,-0.2 60,-0.3 -0.895 5.9 172.1-148.9 118.5 16.3 45.1 95.3 44 46 O E E -FG 36 99B 14 -8,-5.1 -8,-2.2 -2,-0.4 2,-0.3 -0.705 12.9-161.6-121.1 174.3 15.4 48.6 94.6 45 47 O H E - G 0 98B 0 53,-1.5 53,-2.8 -2,-0.3 -10,-0.1 -0.972 27.3-114.9-148.5 144.5 16.5 51.4 92.4 46 48 O D >> - 0 0 57 -12,-0.4 4,-3.0 -2,-0.3 3,-0.7 -0.777 17.5-152.3 -96.5 112.0 15.9 55.2 92.5 47 49 O P H 3> S+ 0 0 1 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.815 99.7 49.8 -38.8 -45.8 13.9 56.2 89.4 48 50 O M H 3> S+ 0 0 67 2,-0.2 4,-5.1 1,-0.2 5,-0.2 0.935 108.4 50.7 -61.9 -47.7 15.5 59.5 89.6 49 51 O E H <> S+ 0 0 53 -3,-0.7 4,-4.3 2,-0.2 5,-0.3 0.945 113.8 47.1 -56.2 -49.4 18.9 58.0 89.9 50 52 O I H X S+ 0 0 0 -4,-3.0 4,-3.5 1,-0.2 5,-0.3 0.985 116.3 42.2 -49.4 -74.3 18.2 56.0 86.9 51 53 O W H X S+ 0 0 50 -4,-3.1 4,-3.4 1,-0.2 5,-0.3 0.845 118.1 48.0 -35.4 -56.5 16.8 58.8 85.0 52 54 O A H X S+ 0 0 49 -4,-5.1 4,-2.2 1,-0.2 5,-0.3 0.971 111.9 46.6 -58.7 -56.8 19.6 61.1 86.2 53 55 O T H X S+ 0 0 12 -4,-4.3 4,-1.5 -5,-0.2 -1,-0.2 0.877 116.8 47.0 -54.9 -36.2 22.4 58.8 85.5 54 56 O Q H X S+ 0 0 2 -4,-3.5 4,-2.3 -5,-0.3 -2,-0.2 0.931 112.5 45.6 -76.4 -42.3 20.9 58.1 82.0 55 57 O S H X S+ 0 0 36 -4,-3.4 4,-2.3 -5,-0.3 5,-0.2 0.991 112.9 51.3 -58.7 -57.0 20.2 61.6 81.0 56 58 O S H X S+ 0 0 34 -4,-2.2 4,-3.2 -5,-0.3 -1,-0.2 0.829 110.5 47.5 -47.5 -45.1 23.6 62.8 82.2 57 59 O T H X S+ 0 0 0 -4,-1.5 4,-3.4 -5,-0.3 5,-0.3 0.960 104.5 60.4 -65.9 -46.6 25.5 60.2 80.3 58 60 O L H X S+ 0 0 4 -4,-2.3 4,-1.4 1,-0.3 -2,-0.2 0.926 111.5 41.2 -43.0 -49.8 23.5 60.8 77.3 59 61 O V H X S+ 0 0 72 -4,-2.3 4,-3.4 -5,-0.2 -1,-0.3 0.974 110.5 56.1 -62.3 -55.7 24.9 64.3 77.5 60 62 O E H X S+ 0 0 82 -4,-3.2 4,-3.2 1,-0.2 5,-0.4 0.949 103.0 55.3 -43.7 -58.3 28.3 63.3 78.4 61 63 O V H X S+ 0 0 0 -4,-3.4 4,-1.3 1,-0.2 6,-0.3 0.907 114.4 39.2 -44.4 -52.5 28.8 61.1 75.4 62 64 O L H ><>S+ 0 0 8 -4,-1.4 5,-2.0 -5,-0.3 3,-0.9 0.977 115.3 55.3 -59.3 -53.6 27.9 63.9 73.1 63 65 O A H ><5S+ 0 0 63 -4,-3.4 3,-1.7 1,-0.3 -2,-0.2 0.895 105.7 49.2 -36.0 -65.4 29.8 66.3 75.1 64 66 O K H 3<5S+ 0 0 114 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.798 113.5 47.3 -53.4 -34.4 33.0 64.4 75.1 65 67 O A T <<5S- 0 0 31 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.083 107.1-115.7-102.9 23.6 32.9 64.0 71.4 66 68 O D T < 5 + 0 0 140 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.710 65.5 151.7 53.4 17.3 32.1 67.5 70.3 67 69 O I < - 0 0 15 -5,-2.0 2,-0.3 -6,-0.3 -1,-0.2 -0.649 35.1-145.7 -89.0 141.5 28.9 66.1 69.0 68 70 O S > - 0 0 49 -2,-0.4 3,-2.6 -3,-0.1 4,-0.4 -0.794 24.5-112.6-104.7 142.0 26.0 68.3 68.8 69 71 O S G > S+ 0 0 7 -2,-0.3 3,-3.3 1,-0.3 2,-0.2 0.887 113.6 64.5 -33.6 -56.6 22.4 67.4 69.3 70 72 O D G 3 S+ 0 0 53 1,-0.3 -1,-0.3 -69,-0.1 164,-0.1 0.341 94.0 58.5 -61.7 15.5 21.7 68.1 65.7 71 73 O Q G < S+ 0 0 37 -3,-2.6 -68,-3.2 -2,-0.2 2,-1.5 0.391 78.2 107.2-117.5 -0.7 23.9 65.3 64.5 72 74 O I E < -b 3 0A 0 -3,-3.3 -68,-0.2 -4,-0.4 3,-0.1 -0.691 52.0-170.1 -85.3 97.5 22.0 62.9 66.3 73 75 O A E - 0 0 11 -2,-1.5 2,-0.3 -70,-1.2 -1,-0.2 0.873 64.7 -46.5 -46.3 -48.4 20.1 61.1 63.7 74 76 O A E -b 4 0A 0 -71,-0.9 -69,-2.5 -3,-0.1 2,-0.5 -0.975 53.7 -98.8-177.8 175.6 18.1 59.5 66.5 75 77 O I E -bd 5 237A 1 161,-3.0 163,-2.1 -2,-0.3 164,-0.7 -0.958 19.7-161.3-125.0 129.8 18.0 57.7 69.8 76 78 O G E -bd 6 239A 0 -71,-3.1 -69,-3.1 -2,-0.5 2,-0.5 -0.711 10.6-152.4-102.6 148.6 17.6 54.1 70.7 77 79 O I E +bd 7 240A 0 162,-1.2 164,-1.8 -2,-0.3 2,-0.4 -0.970 18.2 167.3-130.1 124.4 16.6 52.9 74.1 78 80 O T E +bd 8 241A 0 -71,-3.2 -69,-2.6 -2,-0.5 2,-0.3 -0.971 15.0 176.7-132.0 145.9 17.4 49.6 75.7 79 81 O N E -bd 9 242A 0 162,-1.2 164,-3.2 -2,-0.4 165,-0.3 -0.906 40.4 -76.7-145.8 174.6 16.9 48.7 79.3 80 82 O Q - 0 0 0 -71,-1.3 83,-0.5 -2,-0.3 84,-0.2 -0.548 58.3-126.4 -72.9 135.4 17.0 46.4 82.2 81 83 O R S S+ 0 0 3 -2,-0.3 105,-0.1 1,-0.2 -1,-0.1 0.605 76.0 13.8 -78.7 -22.3 14.0 44.2 81.5 82 84 O E S S+ 0 0 0 52,-0.1 -1,-0.2 80,-0.1 53,-0.1 0.776 73.1 126.3-127.9 -17.0 11.5 43.8 84.3 83 85 O T - 0 0 0 1,-0.1 80,-0.4 15,-0.1 2,-0.3 -0.134 51.7-134.6 -51.3 137.0 11.9 46.3 87.0 84 86 O T E -H 99 0B 0 15,-2.2 15,-1.5 78,-0.1 2,-0.3 -0.726 19.3-168.8-103.5 147.5 8.7 48.2 87.7 85 87 O I E - I 0 161B 0 76,-2.1 76,-2.0 -2,-0.3 2,-0.5 -0.992 5.5-174.5-137.7 142.6 7.8 51.8 88.2 86 88 O V E +HI 96 160B 0 10,-0.7 9,-3.2 -2,-0.3 10,-0.8 -0.947 17.1 164.0-138.8 121.4 4.9 53.8 89.3 87 89 O W E -HI 94 159B 0 72,-1.9 72,-2.6 -2,-0.5 2,-0.1 -0.981 41.6 -89.1-146.5 157.9 4.5 57.4 89.3 88 90 O E E > - I 0 158B 47 5,-2.7 4,-4.7 -2,-0.4 5,-0.4 -0.278 30.4-148.5 -57.8 122.8 2.2 60.4 89.6 89 91 O K T 4 S+ 0 0 97 68,-4.1 69,-0.1 2,-0.2 -1,-0.1 0.932 96.1 43.9 -57.7 -53.5 1.0 61.5 86.2 90 92 O E T 4 S+ 0 0 132 67,-0.7 -1,-0.2 1,-0.2 68,-0.1 0.968 131.3 22.6 -56.7 -57.5 0.8 65.0 87.0 91 93 O T T 4 S- 0 0 74 2,-0.2 -2,-0.2 1,-0.0 -1,-0.2 0.765 88.4-137.8 -79.4 -36.3 4.1 65.3 88.9 92 94 O G < + 0 0 1 -4,-4.7 -3,-0.2 1,-0.3 -2,-0.1 0.665 56.8 144.3 76.6 18.2 5.9 62.2 87.3 93 95 O K - 0 0 125 -5,-0.4 -5,-2.7 1,-0.0 -1,-0.3 -0.854 55.3-113.6 -97.1 124.1 7.0 61.7 90.9 94 96 O P E - H 0 87B 28 0, 0.0 -7,-0.3 0, 0.0 3,-0.2 -0.233 8.5-149.5 -58.1 138.6 7.2 58.0 91.7 95 97 O I E S- 0 0 30 -9,-3.2 2,-0.2 1,-0.3 -8,-0.2 0.558 84.5 -0.4 -78.4 -8.5 4.8 56.8 94.3 96 98 O Y E S- H 0 86B 41 -10,-0.8 -10,-0.7 50,-0.0 -1,-0.3 -0.810 86.3 -78.0 177.8 141.0 7.6 54.4 95.1 97 99 O N E - 0 0 38 -2,-0.2 2,-0.4 -3,-0.2 -51,-0.2 0.342 60.4 -84.7 -28.3 155.2 11.0 53.2 94.3 98 100 O A E -G 45 0B 0 -53,-2.8 -53,-1.5 -13,-0.1 2,-0.9 -0.599 33.3-148.5 -78.4 131.1 11.8 51.0 91.5 99 101 O I E -GH 44 84B 0 -15,-1.5 -15,-2.2 -2,-0.4 -55,-0.2 -0.889 26.2-145.7 -92.6 96.6 11.2 47.4 92.3 100 102 O V > - 0 0 0 -57,-1.9 3,-0.7 -2,-0.9 -57,-0.2 -0.069 21.2-100.0 -69.3 166.7 13.9 45.9 90.1 101 103 O W T 3 S+ 0 0 4 1,-0.2 -1,-0.1 -18,-0.1 37,-0.1 0.891 116.8 51.3 -52.5 -51.0 13.6 42.5 88.4 102 104 O Q T 3 S+ 0 0 11 203,-0.1 -1,-0.2 2,-0.1 31,-0.1 0.741 79.8 118.8 -61.8 -25.0 15.6 40.4 90.8 103 105 O C < - 0 0 0 -3,-0.7 3,-0.4 -60,-0.3 -61,-0.2 -0.248 49.2-160.9 -52.7 123.0 13.6 41.6 93.9 104 106 O R + 0 0 8 -63,-3.1 -1,-0.2 1,-0.2 -62,-0.1 0.019 57.1 109.7 -90.1 19.1 11.8 38.7 95.5 105 107 O R S > S+ 0 0 19 -64,-0.2 3,-0.7 27,-0.2 4,-0.2 0.978 71.0 58.0 -69.9 -41.2 9.3 40.4 97.4 106 108 O T T > S+ 0 0 1 -3,-0.4 3,-1.4 26,-0.3 5,-0.2 0.921 71.8 110.3 -47.6 -60.8 6.2 39.4 95.3 107 109 O A T 3> S+ 0 0 11 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.109 71.9 55.8 28.7 -80.8 6.9 35.7 95.8 108 110 O E H X> S+ 0 0 91 -3,-0.7 3,-2.0 1,-0.3 4,-1.9 0.915 107.7 46.8 -34.6 -73.8 3.9 35.2 98.1 109 111 O I H <> S+ 0 0 29 -3,-1.4 4,-2.1 1,-0.3 -1,-0.3 0.921 104.5 61.2 -34.5 -61.8 1.5 36.5 95.6 110 112 O C H 3> S+ 0 0 3 1,-0.3 4,-3.6 2,-0.2 -1,-0.3 0.874 103.3 53.4 -38.9 -40.2 3.1 34.4 93.0 111 113 O E H X>S+ 0 0 12 -4,-2.1 5,-1.1 1,-0.2 4,-0.9 0.931 113.7 52.0 -41.4 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