==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(ALDEHYDE(D)-NAD(A)) 29-JUN-89 2GD1 . COMPND 2 MOLECULE: APO-D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR T.SKARZYNSKI,A.J.WONACOTT . 1336 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 998 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 190 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 11.8 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 136 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 12 0 0 0 1 4 2 1 1 4 0 0 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 4 8 12 0 5 0 3 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 4 10 6 0 0 0 8 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 4 0 0 0 4 0 4 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 A 0 0 86 0, 0.0 25,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -57.1 5.8 -19.6 -16.0 2 1 O V E -a 26 0A 21 23,-3.3 25,-1.5 1,-0.1 2,-0.7 -0.531 360.0-127.9 -72.3 134.1 6.2 -16.6 -18.4 3 2 O K E +a 27 0A 85 85,-0.3 87,-2.5 -2,-0.2 88,-1.8 -0.807 32.2 177.5 -97.3 116.6 9.3 -14.6 -17.4 4 3 O V E -ab 28 91A 1 23,-2.1 25,-2.3 -2,-0.7 26,-0.7 -0.750 11.5-164.4-107.2 153.7 8.7 -10.9 -16.9 5 4 O G E -ab 30 92A 0 86,-2.0 88,-1.8 -2,-0.3 2,-0.5 -0.952 15.5-136.3-140.7 145.3 11.2 -8.3 -15.8 6 5 O I E -ab 31 93A 0 24,-2.4 26,-2.5 -2,-0.3 2,-0.7 -0.935 2.8-150.7-112.6 134.9 10.3 -4.8 -14.5 7 6 O N E S+ab 32 94A 2 86,-3.1 88,-2.2 -2,-0.5 89,-0.2 -0.916 77.3 17.0-102.0 117.5 11.9 -1.6 -15.5 8 7 O G - 0 0 6 24,-3.0 25,-0.2 -2,-0.7 -1,-0.1 0.600 65.5-145.2 92.6 116.8 11.6 0.9 -12.6 9 8 O F + 0 0 1 23,-0.2 -1,-0.1 4,-0.1 24,-0.1 -0.218 55.3 121.3-108.7 44.7 10.7 -0.3 -9.1 10 9 O G S > S- 0 0 31 85,-0.2 4,-2.5 1184,-0.0 5,-0.3 0.227 88.3 -56.9 -82.2-154.9 8.7 2.7 -7.9 11 10 O R H > S+ 0 0 7 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.952 139.5 44.6 -58.4 -52.0 5.0 2.4 -6.8 12 11 O I H > S+ 0 0 66 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.884 115.0 46.7 -61.3 -43.7 3.8 0.8 -10.1 13 12 O G H > S+ 0 0 0 82,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.887 117.7 44.8 -65.3 -36.4 6.7 -1.6 -10.4 14 13 O R H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.927 114.2 47.7 -73.2 -39.8 6.2 -2.6 -6.7 15 14 O N H X S+ 0 0 10 -4,-3.6 4,-2.2 -5,-0.3 -2,-0.2 0.923 112.1 50.6 -64.6 -40.1 2.4 -2.8 -7.1 16 15 O V H X S+ 0 0 1 -4,-3.0 4,-2.9 -5,-0.3 -1,-0.2 0.894 109.9 51.8 -64.1 -37.3 2.9 -4.9 -10.3 17 16 O F H X S+ 0 0 6 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.892 110.1 46.8 -62.7 -46.3 5.3 -7.2 -8.2 18 17 O R H X S+ 0 0 32 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.885 114.9 47.0 -63.5 -41.9 2.9 -7.7 -5.4 19 18 O A H >X S+ 0 0 3 -4,-2.2 3,-1.3 1,-0.2 4,-1.1 0.951 107.7 56.8 -67.4 -47.2 0.1 -8.5 -8.0 20 19 O A H 3< S+ 0 0 5 -4,-2.9 6,-0.3 1,-0.3 -1,-0.2 0.794 93.0 69.6 -48.0 -42.2 2.4 -10.8 -9.9 21 20 O L H 3< S+ 0 0 73 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.813 101.2 46.5 -45.5 -48.8 3.0 -12.9 -6.7 22 21 O K H << S+ 0 0 142 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.859 96.1 85.7 -65.5 -42.5 -0.6 -14.1 -6.9 23 22 O N < - 0 0 34 -4,-1.1 3,-0.5 1,-0.2 301,-0.0 -0.463 57.1-169.8 -73.5 121.7 -0.4 -14.9 -10.7 24 23 O P S S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.494 82.9 58.6 -86.8 -6.5 1.0 -18.4 -11.2 25 24 O D S S+ 0 0 96 -24,-0.1 -23,-3.3 -5,-0.1 2,-0.3 0.494 102.3 64.9 -97.4 -12.8 1.5 -18.0 -15.0 26 25 O I E -a 2 0A 11 -3,-0.5 2,-0.3 -6,-0.3 -23,-0.2 -0.812 58.5-174.4-113.7 157.4 3.8 -15.0 -14.5 27 26 O E E -a 3 0A 59 -25,-1.5 -23,-2.1 -2,-0.3 2,-0.5 -0.823 14.9-152.2-152.2 106.9 7.2 -14.8 -12.9 28 27 O V E +a 4 0A 13 -2,-0.3 -23,-0.2 -25,-0.2 3,-0.1 -0.735 22.6 168.7 -78.0 124.8 9.1 -11.6 -12.3 29 28 O V E + 0 0 17 -25,-2.3 43,-2.0 -2,-0.5 2,-0.3 0.474 60.6 21.1-114.5 -11.0 12.8 -12.7 -12.4 30 29 O A E -ac 5 72A 0 -26,-0.7 -24,-2.4 41,-0.2 2,-0.4 -0.993 53.9-166.3-159.4 147.1 14.4 -9.3 -12.5 31 30 O V E -ac 6 73A 0 41,-2.0 43,-1.8 -2,-0.3 2,-0.5 -0.967 15.5-143.9-128.5 151.3 13.8 -5.6 -11.7 32 31 O N E +ac 7 74A 9 -26,-2.5 -24,-3.0 -2,-0.4 2,-0.3 -0.973 36.6 139.9-120.7 121.7 15.9 -2.6 -12.8 33 32 O D - 0 0 26 41,-2.2 -2,-0.1 -2,-0.5 44,-0.1 -0.959 49.3-140.7-155.4 146.1 16.3 0.3 -10.4 34 33 O L S S+ 0 0 84 -2,-0.3 2,-0.2 41,-0.1 41,-0.1 0.523 75.8 103.3 -82.4 -7.1 19.0 2.7 -9.3 35 34 O T S S- 0 0 38 1,-0.1 -2,-0.1 2,-0.1 -26,-0.0 -0.546 84.4-100.3 -77.6 140.0 17.8 2.6 -5.6 36 36 O D > - 0 0 81 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.091 27.7-115.2 -58.5 160.5 19.9 0.4 -3.3 37 37 O A H > S+ 0 0 10 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.761 111.2 61.2 -67.6 -25.2 18.6 -3.0 -2.5 38 38 O N H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 107.8 39.4 -67.2 -52.6 18.1 -2.1 1.1 39 39 O T H > S+ 0 0 18 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.927 115.7 54.0 -62.5 -44.4 15.6 0.7 0.6 40 40 O L H X S+ 0 0 1 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.870 108.6 47.8 -56.5 -44.7 13.9 -1.3 -2.1 41 41 O A H X S+ 0 0 11 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.897 112.6 50.1 -67.2 -39.1 13.5 -4.3 0.2 42 42 O H H X S+ 0 0 14 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.934 112.2 47.4 -63.7 -47.4 12.1 -2.0 2.9 43 43 O L H < S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.739 112.1 48.7 -69.0 -24.6 9.7 -0.4 0.5 44 44 O L H < S+ 0 0 0 -4,-1.5 9,-0.3 -5,-0.2 -1,-0.2 0.846 111.9 51.1 -85.1 -32.8 8.4 -3.7 -0.9 45 45 O K H < S+ 0 0 46 -4,-1.8 8,-3.0 -5,-0.2 2,-0.4 0.988 117.8 27.6 -63.3 -63.4 7.9 -5.1 2.7 46 46 O Y < - 0 0 14 -4,-2.0 2,-0.4 6,-0.3 6,-0.2 -0.858 65.5-177.7-108.0 132.6 5.8 -2.3 4.2 47 47 O D > - 0 0 4 4,-0.4 4,-2.0 -2,-0.4 1156,-0.1 -0.999 27.9-141.1-135.6 132.4 3.5 0.0 2.4 48 48 O S T 4 S+ 0 0 8 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.688 105.6 31.1 -64.6 -20.0 1.5 2.9 3.9 49 49 O V T 4 S+ 0 0 12 2,-0.2 -1,-0.2 187,-0.1 188,-0.1 0.756 129.2 31.4-108.1 -40.1 -1.4 2.0 1.6 50 50 O H T 4 S- 0 0 46 1,-0.2 -2,-0.2 236,-0.0 2,-0.0 0.481 95.8-135.3-101.6 -2.7 -1.2 -1.7 1.1 51 51 O G < - 0 0 33 -4,-2.0 -4,-0.4 2,-0.1 2,-0.3 -0.283 50.8 -18.6 83.7-173.7 0.2 -3.0 4.3 52 52 O R S S- 0 0 119 -6,-0.2 -6,-0.3 901,-0.1 -7,-0.1 -0.607 70.1-110.5 -73.7 134.7 3.0 -5.6 4.8 53 53 O L - 0 0 10 -8,-3.0 2,-1.5 -9,-0.3 4,-0.1 -0.424 19.5-134.2 -65.3 132.6 3.8 -8.0 2.0 54 54 O D S S+ 0 0 163 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.749 81.1 81.5 -87.1 82.5 2.7 -11.6 2.8 55 55 O A S S- 0 0 11 -2,-1.5 2,-0.6 2,-0.1 -2,-0.1 -0.837 87.6-105.9-176.5 147.3 6.1 -12.9 1.6 56 56 O E - 0 0 138 -2,-0.3 11,-2.3 2,-0.0 2,-0.4 -0.825 40.4-171.1 -92.7 130.0 9.6 -13.1 3.1 57 57 O V E +G 66 0B 16 -2,-0.6 2,-0.2 9,-0.2 9,-0.2 -0.967 15.4 146.3-121.5 136.7 11.9 -10.5 1.7 58 58 O S E -G 65 0B 50 7,-2.0 7,-2.4 -2,-0.4 2,-0.5 -0.876 41.3-101.2-155.9-179.8 15.6 -10.1 2.2 59 59 O V E -G 64 0B 51 -2,-0.2 2,-0.6 5,-0.2 5,-0.2 -0.966 17.0-172.7-125.7 125.9 18.8 -9.0 0.5 60 60 O N E > S-G 63 0B 97 3,-1.9 3,-1.9 -2,-0.5 2,-1.1 -0.864 72.5 -64.2-115.1 83.2 21.4 -11.3 -1.1 61 61 O G T 3 S- 0 0 56 -2,-0.6 -24,-0.1 1,-0.3 -2,-0.0 -0.579 120.3 -13.2 71.7 -97.5 24.1 -8.8 -1.9 62 62 O N T 3 S+ 0 0 128 -2,-1.1 -1,-0.3 -25,-0.1 2,-0.2 0.493 124.5 82.5-111.1 -8.5 22.5 -6.6 -4.5 63 63 O N E < S-G 60 0B 32 -3,-1.9 -3,-1.9 9,-0.1 2,-0.3 -0.473 74.8-116.8 -93.9 165.7 19.5 -8.8 -5.2 64 64 O L E -GH 59 71B 0 7,-2.0 7,-3.6 -5,-0.2 2,-0.5 -0.776 14.3-151.9-102.5 149.1 16.2 -9.3 -3.5 65 65 O V E +GH 58 70B 20 -7,-2.4 -7,-2.0 -2,-0.3 2,-0.4 -0.992 17.9 175.3-121.5 117.0 15.0 -12.6 -2.0 66 66 O V E > S-GH 57 69B 6 3,-2.2 3,-1.2 -2,-0.5 -9,-0.2 -0.955 74.3 -24.5-129.3 107.1 11.3 -13.1 -2.1 67 67 O N T 3 S- 0 0 96 -11,-2.3 -10,-0.1 -2,-0.4 3,-0.1 0.766 126.5 -49.0 58.3 38.4 10.1 -16.5 -0.8 68 68 O G T 3 S+ 0 0 63 -12,-0.3 2,-0.5 1,-0.2 -1,-0.3 -0.188 114.7 113.8 97.1 -38.9 13.4 -18.2 -1.5 69 69 O K E < -H 66 0B 132 -3,-1.2 -3,-2.2 -4,-0.1 2,-0.5 -0.583 62.0-140.7 -76.8 119.4 13.6 -16.8 -5.1 70 70 O E E -H 65 0B 91 -2,-0.5 2,-0.6 -5,-0.2 -5,-0.3 -0.676 14.1-153.0 -78.4 117.9 16.5 -14.4 -5.7 71 71 O I E -H 64 0B 9 -7,-3.6 -7,-2.0 -2,-0.5 -41,-0.2 -0.886 17.9-126.3 -93.8 117.6 15.2 -11.6 -8.0 72 72 O I E -c 30 0A 65 -43,-2.0 -41,-2.0 -2,-0.6 2,-0.6 -0.532 20.9-156.5 -66.7 137.4 18.1 -10.2 -9.9 73 73 O V E -c 31 0A 19 -43,-0.2 -41,-0.2 -2,-0.2 2,-0.1 -0.927 11.5-173.1-117.3 100.8 18.3 -6.3 -9.5 74 74 O K E -c 32 0A 41 -43,-1.8 -41,-2.2 -2,-0.6 8,-0.1 -0.269 12.5-156.1 -82.6 172.1 20.1 -4.5 -12.4 75 75 O A + 0 0 54 -43,-0.2 2,-0.4 -41,-0.1 -43,-0.1 -0.326 32.3 146.7-157.1 62.6 20.8 -0.8 -12.3 76 76 O E - 0 0 78 1,-0.1 -42,-0.1 3,-0.0 6,-0.0 -0.834 38.7-155.1-103.3 138.6 21.2 0.5 -15.8 77 77 O R S S+ 0 0 187 -2,-0.4 -1,-0.1 1,-0.2 -43,-0.0 0.681 85.2 56.9 -84.0 -25.9 20.2 4.0 -16.8 78 78 O D S > S- 0 0 50 1,-0.1 3,-1.5 29,-0.0 -1,-0.2 -0.986 75.0-144.1-118.8 119.8 19.7 2.9 -20.4 79 79 O P G > S+ 0 0 1 0, 0.0 3,-2.3 0, 0.0 4,-0.2 0.744 93.2 70.6 -52.3 -36.1 17.4 0.1 -21.4 80 80 O E G > S+ 0 0 82 1,-0.3 3,-0.5 2,-0.1 0, 0.0 0.756 97.1 52.6 -52.2 -34.8 19.6 -1.2 -24.2 81 81 O N G < S+ 0 0 101 -3,-1.5 -1,-0.3 1,-0.2 27,-0.1 0.336 79.7 94.7 -86.1 0.5 22.1 -2.5 -21.7 82 82 O L G < S- 0 0 0 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.1 0.553 73.2-150.6 -74.3 -7.4 19.6 -4.5 -19.6 83 83 O A <> + 0 0 28 -3,-0.5 4,-0.8 -4,-0.2 3,-0.3 0.871 26.4 170.7 39.9 61.5 20.4 -7.8 -21.5 84 84 O W H >> + 0 0 0 27,-0.6 5,-2.9 1,-0.2 4,-0.9 0.855 69.2 67.0 -66.4 -36.0 16.9 -9.2 -21.0 85 85 O G H >45S+ 0 0 38 26,-2.3 3,-0.8 3,-0.2 -1,-0.2 0.880 94.0 51.9 -48.6 -57.4 17.8 -11.9 -23.4 86 86 O E H 345S+ 0 0 177 -3,-0.3 -1,-0.2 25,-0.3 -2,-0.2 0.726 112.6 45.1 -59.1 -32.9 20.5 -13.7 -21.3 87 87 O I H 3<5S- 0 0 52 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.557 117.5-115.2 -89.0 -7.2 18.2 -14.0 -18.2 88 88 O G T <<5 + 0 0 31 -4,-0.9 2,-0.6 -3,-0.8 -85,-0.3 0.837 52.1 166.7 80.7 34.7 15.4 -15.1 -20.4 89 89 O V < + 0 0 1 -5,-2.9 25,-0.2 1,-0.2 -1,-0.2 -0.732 11.0 174.4 -85.6 117.6 12.9 -12.3 -19.9 90 90 O D + 0 0 42 -87,-2.5 25,-2.3 -2,-0.6 24,-1.9 0.856 66.8 40.4 -89.0 -39.5 10.2 -12.4 -22.6 91 91 O I E -bd 4 115A 0 -88,-1.8 -86,-2.0 23,-0.2 2,-0.5 -0.935 63.9-165.1-118.7 136.8 8.1 -9.5 -21.2 92 92 O V E -bd 5 116A 0 23,-2.5 25,-2.2 -2,-0.4 2,-0.7 -0.977 11.6-150.0-121.4 121.7 9.2 -6.2 -19.8 93 93 O V E -bd 6 117A 1 -88,-1.8 -86,-3.1 -2,-0.5 2,-1.2 -0.802 14.6-152.3 -84.7 109.5 6.8 -4.0 -17.9 94 94 O E E +bd 7 118A 3 23,-4.3 25,-2.0 -2,-0.7 -86,-0.1 -0.771 33.9 153.5 -91.3 100.3 8.1 -0.5 -18.6 95 95 O S + 0 0 17 -88,-2.2 -82,-0.3 -2,-1.2 -83,-0.2 0.215 43.3 90.1-112.9 16.7 7.0 1.4 -15.4 96 96 O T S S- 0 0 43 -89,-0.2 -1,-0.1 -84,-0.1 -88,-0.1 0.855 80.0-138.7 -79.0 -39.9 9.6 4.3 -15.2 97 97 O G S S+ 0 0 50 -3,-0.1 3,-0.2 23,-0.0 -2,-0.1 0.641 84.0 94.3 87.5 15.7 7.5 6.7 -17.2 98 98 O R S S+ 0 0 139 1,-0.1 3,-0.2 2,-0.0 6,-0.0 0.519 80.6 49.9-108.6 -21.9 10.7 7.8 -19.0 99 99 O F + 0 0 20 1,-0.2 6,-0.2 5,-0.1 -1,-0.1 -0.322 66.7 126.7-120.9 53.6 10.4 5.5 -21.9 100 100 O T + 0 0 39 -3,-0.2 23,-2.0 4,-0.1 2,-0.4 0.602 50.9 84.8 -80.4 -24.4 6.8 6.1 -23.0 101 101 O K B >> S-i 123 0C 113 -3,-0.2 4,-2.2 21,-0.2 3,-1.4 -0.760 86.6-122.3 -83.4 139.5 7.6 6.9 -26.7 102 102 O R H 3> S+ 0 0 67 21,-2.2 4,-2.6 -2,-0.4 5,-0.2 0.777 109.7 56.8 -40.4 -51.0 7.8 3.8 -28.9 103 103 O E H 34 S+ 0 0 109 2,-0.2 -1,-0.3 1,-0.2 4,-0.3 0.832 112.1 41.9 -58.1 -38.8 11.3 4.5 -30.0 104 104 O D H X4 S+ 0 0 55 -3,-1.4 3,-2.2 2,-0.2 4,-0.2 0.968 116.1 47.2 -73.6 -55.5 12.6 4.6 -26.4 105 105 O A H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 4,-0.2 0.743 99.9 67.6 -58.8 -30.5 10.6 1.6 -25.2 106 106 O A T >X S+ 0 0 14 -4,-2.6 3,-1.8 1,-0.3 4,-1.4 0.715 80.0 82.2 -66.8 -13.3 11.7 -0.4 -28.2 107 107 O K H <> S+ 0 0 46 -3,-2.2 4,-0.8 1,-0.3 -1,-0.3 0.807 84.6 58.7 -61.7 -25.3 15.2 -0.3 -26.7 108 108 O H H <4>S+ 0 0 0 -3,-1.4 5,-2.2 -4,-0.2 -1,-0.3 0.684 98.1 57.8 -74.6 -23.1 14.2 -3.2 -24.4 109 109 O L H X45S+ 0 0 46 -3,-1.8 3,-1.1 -4,-0.2 -2,-0.2 0.830 104.7 54.3 -71.9 -33.6 13.4 -5.3 -27.6 110 110 O E H 3<5S+ 0 0 129 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.774 102.2 54.6 -67.9 -31.5 17.1 -4.7 -28.4 111 111 O A T 3<5S- 0 0 11 -4,-0.8 -26,-2.3 -28,-0.1 -27,-0.6 0.363 133.7 -86.1 -87.6 3.6 18.3 -6.0 -25.1 112 112 O G T < 5S+ 0 0 32 -3,-1.1 2,-0.2 1,-0.3 -3,-0.2 0.514 81.4 135.4 111.0 8.1 16.5 -9.2 -25.8 113 113 O A < - 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