==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE (SYNTHETASE) 26-APR-96 1HOP . COMPND 2 MOLECULE: ADENYLOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.W.POLAND,Z.HOU,C.BRUNS,H.J.FROMM,R.B.HONZATKO . 862 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 69 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.2 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 1 0 2 0 4 1 3 2 0 3 2 2 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 4 6 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 . 5 2 5 1 0 0 1 1 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 . 2 2 2 0 0 0 0 0 2 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 1 A G 0 0 13 0, 0.0 3,-0.1 0, 0.0 430,-0.1 0.000 360.0 360.0 360.0-169.5 25.5 50.1 1.8 2 2 A N + 0 0 54 1,-0.2 216,-3.7 215,-0.1 2,-0.8 0.657 360.0 60.0-113.7 -31.0 28.2 48.4 -0.1 3 3 A N E S+a 218 0A 7 214,-0.2 258,-2.0 255,-0.1 257,-1.4 -0.889 71.2 175.9-101.3 100.8 26.5 47.9 -3.6 4 4 A V E -ab 219 261A 0 214,-2.5 216,-3.4 -2,-0.8 2,-0.5 -0.931 18.9-152.5-113.1 132.4 25.7 51.3 -4.9 5 5 A V E -ab 220 262A 0 256,-3.2 258,-4.3 -2,-0.5 2,-0.4 -0.836 11.8-167.2-100.8 132.5 24.2 52.2 -8.3 6 6 A V E +ab 221 263A 2 214,-2.7 216,-2.5 -2,-0.5 2,-0.3 -0.950 22.8 129.2-120.6 133.4 25.0 55.6 -9.9 7 7 A L E - b 0 264A 0 256,-2.0 258,-2.6 -2,-0.4 2,-0.2 -0.983 51.4 -86.8-174.2 163.3 23.2 57.1 -12.9 8 8 A G E - b 0 265A 0 216,-0.5 218,-1.9 -2,-0.3 258,-0.1 -0.520 21.3-156.4 -83.5 144.9 21.4 60.0 -14.5 9 9 A T S S+ 0 0 0 256,-1.6 309,-0.2 -2,-0.2 -1,-0.1 0.417 75.1 40.7-101.6 3.7 17.7 60.5 -14.1 10 10 A Q S S- 0 0 13 255,-0.1 217,-2.1 216,-0.1 218,-0.2 0.444 114.7 -57.2-117.2-113.2 16.9 62.6 -17.2 11 11 A W S S- 0 0 18 1,-0.7 214,-0.2 260,-0.3 2,-0.2 0.092 90.5 -77.3-126.4 15.1 18.2 62.4 -20.8 12 12 A G S S+ 0 0 11 212,-0.1 -1,-0.7 260,-0.1 259,-0.2 -0.627 101.4 85.0 114.8-179.0 22.0 62.7 -20.1 13 13 A D + 0 0 57 -2,-0.2 211,-0.0 1,-0.1 259,-0.0 0.703 49.6 139.2 55.5 26.2 24.1 65.7 -19.3 14 14 A E S S- 0 0 1 253,-0.1 -1,-0.1 1,-0.1 252,-0.1 0.692 74.7-109.9 -73.9 -11.8 23.3 65.3 -15.6 15 15 A G > + 0 0 36 250,-0.1 4,-0.5 252,-0.1 3,-0.3 0.936 61.7 157.0 78.7 49.5 26.9 66.1 -14.7 16 16 A K H > + 0 0 35 1,-0.2 4,-2.1 2,-0.1 3,-0.1 0.787 53.4 77.3 -74.9 -37.9 27.6 62.5 -13.5 17 17 A G H > S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.752 91.2 50.5 -47.4 -37.6 31.4 62.7 -13.9 18 18 A K H > S+ 0 0 38 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.961 112.5 43.7 -70.4 -53.1 32.1 64.7 -10.8 19 19 A I H X S+ 0 0 0 -4,-0.5 4,-2.9 2,-0.2 5,-0.3 0.878 110.2 59.0 -60.8 -40.9 30.2 62.5 -8.3 20 20 A V H >X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 3,-1.0 0.985 108.1 41.2 -51.2 -72.7 31.6 59.4 -9.9 21 21 A D H 3< S+ 0 0 37 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.814 115.2 57.0 -44.2 -35.4 35.3 60.3 -9.2 22 22 A L H >< S+ 0 0 33 -4,-1.8 3,-0.8 1,-0.2 -1,-0.3 0.907 110.4 39.6 -64.3 -45.3 34.0 61.5 -5.8 23 23 A L H XX S+ 0 0 8 -4,-2.9 3,-1.6 -3,-1.0 4,-0.7 0.802 101.5 76.1 -76.0 -23.8 32.5 58.1 -4.9 24 24 A T T 3< S+ 0 0 1 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.438 84.3 66.1 -68.5 1.4 35.5 56.2 -6.5 25 25 A E T <4 S+ 0 0 98 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.1 0.702 108.0 35.5 -93.8 -24.7 37.6 57.2 -3.4 26 26 A R T <4 S+ 0 0 98 -3,-1.6 2,-0.4 -4,-0.2 -2,-0.2 0.433 103.1 86.8-106.8 -2.7 35.6 55.0 -1.0 27 27 A A < - 0 0 6 -4,-0.7 191,-0.2 1,-0.1 3,-0.1 -0.814 55.1-162.8-102.0 138.4 34.8 52.1 -3.4 28 28 A K S S+ 0 0 63 189,-2.1 37,-1.8 -2,-0.4 2,-0.3 0.841 78.1 31.7 -86.8 -39.7 37.1 49.1 -3.9 29 29 A Y E -cd 65 218A 22 188,-1.8 190,-1.7 35,-0.2 2,-0.4 -0.937 66.6-159.9-119.8 144.4 35.6 47.8 -7.2 30 30 A V E -cd 66 219A 0 35,-2.3 37,-3.4 -2,-0.3 2,-0.5 -0.985 10.3-164.7-127.1 132.4 33.9 49.7 -10.1 31 31 A V E -cd 67 220A 0 188,-2.4 190,-3.3 -2,-0.4 2,-0.5 -0.958 19.3-161.1-129.7 129.9 31.6 48.1 -12.6 32 32 A R E +cd 68 221A 3 35,-1.9 37,-2.4 -2,-0.5 40,-0.3 -0.868 20.9 170.9 -91.2 131.6 30.2 49.1 -16.0 33 33 A Y + 0 0 1 188,-0.7 2,-0.3 -2,-0.5 -1,-0.1 0.441 51.4 37.6-126.0 -10.6 27.1 46.9 -16.6 34 34 A Q S S+ 0 0 11 187,-0.4 38,-0.2 2,-0.1 189,-0.2 -0.965 91.4 4.4-145.7 162.5 25.4 48.3 -19.7 35 35 A G - 0 0 1 36,-0.5 38,-2.3 -2,-0.3 2,-0.2 -0.270 67.5-102.6 73.4-149.5 25.9 49.8 -23.1 36 36 A G - 0 0 0 36,-0.2 2,-1.9 -2,-0.1 3,-0.3 -0.548 65.1 -15.7-150.2-145.8 29.1 50.4 -24.9 37 37 A H S S+ 0 0 28 36,-0.2 17,-0.2 1,-0.2 96,-0.1 -0.579 104.7 81.1 -78.0 83.6 31.8 52.9 -25.9 38 38 A N + 0 0 51 -2,-1.9 -1,-0.2 15,-1.1 16,-0.1 0.074 44.1 124.5-170.3 30.8 29.8 56.1 -25.2 39 39 A A - 0 0 18 14,-1.4 14,-0.2 -3,-0.3 15,-0.1 0.891 53.1-157.1 -62.7 -44.3 30.2 56.5 -21.5 40 40 A G + 0 0 48 12,-0.2 2,-0.5 1,-0.2 13,-0.2 0.992 28.8 156.0 61.7 70.7 31.6 60.0 -22.0 41 41 A H E -J 52 0B 10 11,-2.2 11,-2.6 -25,-0.1 2,-0.3 -0.935 25.7-155.7-130.1 107.2 33.6 60.6 -18.8 42 42 A T E +J 51 0B 83 -2,-0.5 9,-0.3 9,-0.3 2,-0.2 -0.619 20.7 159.5 -88.2 142.7 36.4 63.2 -19.1 43 43 A L E -J 50 0B 11 7,-3.5 7,-1.3 -2,-0.3 2,-0.3 -0.718 30.1-129.1-141.9-170.8 39.4 63.3 -16.9 44 44 A V E +J 49 0B 104 5,-0.2 5,-0.2 -2,-0.2 7,-0.0 -0.968 35.2 141.9-149.7 133.3 43.0 64.6 -16.6 45 45 A I + 0 0 54 3,-1.4 2,-3.4 -2,-0.3 4,-0.1 0.289 69.2 38.5-132.2 -87.9 46.1 62.7 -15.7 46 46 A N S S- 0 0 97 1,-0.2 3,-0.1 40,-0.0 44,-0.0 -0.116 121.9 -83.7 -67.7 45.2 49.5 63.4 -17.4 47 47 A G S S+ 0 0 85 -2,-3.4 2,-0.3 1,-0.2 -1,-0.2 0.623 111.7 103.3 61.2 6.4 48.8 67.2 -17.4 48 48 A E S S- 0 0 60 41,-0.1 -3,-1.4 2,-0.0 2,-0.6 -0.863 79.7-111.9-118.5 153.3 46.9 66.4 -20.6 49 49 A K E +J 44 0B 170 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.780 38.0 179.9 -91.2 118.2 43.1 66.2 -21.0 50 50 A T E -J 43 0B 13 -7,-1.3 -7,-3.5 -2,-0.6 2,-0.5 -0.909 17.1-153.7-121.1 142.7 41.8 62.7 -21.7 51 51 A V E -J 42 0B 61 -2,-0.4 -9,-0.3 -9,-0.3 2,-0.3 -0.956 10.7-155.4-113.7 123.7 38.2 61.4 -22.2 52 52 A L E +J 41 0B 3 -11,-2.6 -11,-2.2 -2,-0.5 -12,-0.2 -0.669 22.1 166.1 -92.8 154.0 37.3 57.8 -21.4 53 53 A H S S+ 0 0 78 -2,-0.3 -14,-1.4 -13,-0.2 -15,-1.1 0.402 81.7 17.9-137.9 -20.3 34.4 56.0 -23.1 54 54 A L S S+ 0 0 2 -17,-0.2 25,-0.1 24,-0.2 3,-0.1 0.704 101.7 79.5-119.6 -62.0 35.1 52.3 -22.2 55 55 A I S S- 0 0 5 1,-0.1 12,-0.0 24,-0.1 -1,-0.0 -0.262 88.4-108.6 -54.2 136.5 37.5 52.0 -19.3 56 56 A P > - 0 0 1 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.260 27.9-108.5 -65.0 166.2 35.7 52.5 -16.0 57 57 A S G > S+ 0 0 5 1,-0.2 3,-0.8 2,-0.1 4,-0.2 0.741 108.3 69.6 -68.3 -25.3 36.4 55.8 -14.1 58 58 A G G > + 0 0 0 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 0.473 61.6 103.1 -76.9 -0.4 38.4 54.1 -11.4 59 59 A I G < S+ 0 0 1 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.757 78.6 58.1 -54.1 -24.6 41.4 53.1 -13.4 60 60 A L G < S+ 0 0 45 -3,-0.8 -1,-0.2 31,-0.1 -2,-0.1 0.930 84.1 92.2 -71.0 -46.9 43.3 56.0 -11.8 61 61 A R < - 0 0 72 -3,-0.6 3,-0.2 -4,-0.2 -36,-0.0 -0.174 69.7-149.8 -47.1 136.0 42.8 54.8 -8.3 62 62 A E S S+ 0 0 134 1,-0.2 -1,-0.1 3,-0.0 -4,-0.0 0.961 92.5 36.7 -76.8 -55.3 45.8 52.6 -7.4 63 63 A N S S+ 0 0 154 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.100 102.8 93.1 -90.4 29.7 44.1 50.2 -5.0 64 64 A V - 0 0 13 -3,-0.2 2,-0.4 -6,-0.2 -35,-0.2 -0.738 62.0-147.1-112.0 158.7 40.8 50.0 -7.0 65 65 A T E -c 29 0A 31 -37,-1.8 -35,-2.3 -2,-0.3 2,-0.4 -0.997 7.3-153.2-129.3 127.0 39.9 47.6 -9.6 66 66 A S E -ce 30 97A 0 30,-1.9 32,-1.5 -2,-0.4 2,-0.4 -0.872 11.3-166.2-104.5 133.4 37.7 48.4 -12.6 67 67 A I E -ce 31 98A 0 -37,-3.4 -35,-1.9 -2,-0.4 2,-0.6 -0.925 15.2-153.3-120.0 138.4 35.6 45.8 -14.3 68 68 A I E -ce 32 99A 0 30,-1.9 32,-1.2 -2,-0.4 2,-0.2 -0.980 33.8-149.5-104.9 115.3 33.8 45.8 -17.7 69 69 A G > - 0 0 0 -37,-2.4 3,-3.9 -2,-0.6 183,-0.2 -0.487 27.0 -89.3 -96.4 172.7 30.8 43.4 -17.4 70 70 A N T 3 S+ 0 0 2 1,-0.3 182,-0.2 182,-0.2 181,-0.1 0.637 119.0 62.7 -42.3 -28.3 28.7 41.0 -19.5 71 71 A G T 3 S+ 0 0 10 180,-2.2 2,-0.5 -39,-0.2 -36,-0.5 0.612 85.6 87.6 -77.8 -15.6 26.2 43.8 -20.3 72 72 A V S < S- 0 0 0 -3,-3.9 2,-0.5 179,-0.3 -36,-0.2 -0.727 74.7-135.8 -88.5 126.2 28.8 45.9 -22.1 73 73 A V - 0 0 1 -38,-2.3 2,-0.2 -2,-0.5 -36,-0.2 -0.639 32.3-139.3 -76.1 126.4 29.3 45.3 -25.8 74 74 A L B -k 105 0C 0 30,-3.5 32,-4.4 -2,-0.5 3,-0.1 -0.622 23.5-171.2 -96.1 153.2 33.1 45.3 -26.4 75 75 A S >> - 0 0 12 -2,-0.2 4,-1.7 30,-0.2 3,-1.4 -0.863 8.9-164.7-138.3 92.6 35.3 46.7 -29.1 76 76 A P H >> S+ 0 0 8 0, 0.0 4,-2.6 0, 0.0 3,-1.3 0.948 93.1 62.9 -41.8 -49.9 39.0 45.6 -28.9 77 77 A A H 3> S+ 0 0 76 29,-0.3 4,-0.8 1,-0.3 30,-0.1 0.806 107.9 39.4 -43.4 -43.9 39.6 48.6 -31.3 78 78 A A H <> S+ 0 0 19 -3,-1.4 4,-1.5 2,-0.2 -1,-0.3 0.699 112.8 55.9 -85.2 -17.7 38.4 51.1 -28.8 79 79 A L H S+ 0 0 1 -4,-2.0 5,-1.3 2,-0.2 -2,-0.2 0.854 114.8 56.7 -61.7 -39.4 46.9 55.8 -20.1 87 87 A E H ><5S+ 0 0 88 -4,-3.7 3,-2.5 3,-0.2 -1,-0.2 0.981 109.6 46.1 -56.6 -51.2 49.8 53.4 -20.5 88 88 A D H 3<5S+ 0 0 73 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.927 111.9 52.0 -53.2 -47.6 51.7 56.3 -22.2 89 89 A R T 3<5S- 0 0 66 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.202 130.1-100.7 -74.5 14.8 50.5 58.6 -19.4 90 90 A G T < 5S+ 0 0 59 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.914 71.1 142.3 67.2 55.0 51.9 56.0 -16.9 91 91 A I < - 0 0 11 -5,-1.3 2,-3.2 -8,-0.2 3,-0.3 -0.971 52.4-133.1-128.2 120.7 49.0 53.9 -15.6 92 92 A P > + 0 0 55 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.065 43.8 158.8 -65.9 48.3 49.2 50.1 -15.0 93 93 A V G >> + 0 0 0 -2,-3.2 4,-1.9 1,-0.3 3,-1.0 0.756 68.3 56.0 -42.4 -40.8 45.9 49.5 -16.8 94 94 A R G 34 S+ 0 0 116 -3,-0.3 -1,-0.3 1,-0.3 -11,-0.0 0.885 110.9 44.0 -66.4 -34.0 46.7 45.8 -17.4 95 95 A E G <4 S+ 0 0 180 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.373 120.7 42.8 -89.1 3.8 47.2 45.2 -13.7 96 96 A R T <4 S+ 0 0 18 -3,-1.0 -30,-1.9 -4,-0.5 2,-0.4 0.549 101.2 73.8-121.9 -13.9 44.0 47.3 -12.9 97 97 A L E < +e 66 0A 3 -4,-1.9 2,-0.3 -5,-0.2 -30,-0.2 -0.880 46.9 175.6-112.8 144.1 41.4 46.1 -15.5 98 98 A L E -e 67 0A 44 -32,-1.5 -30,-1.9 -2,-0.4 2,-0.3 -1.000 10.2-160.8-140.3 132.3 39.3 42.8 -15.9 99 99 A L E -ef 68 201A 0 101,-0.9 103,-1.7 -2,-0.3 -30,-0.2 -0.761 22.1-107.6-118.1 161.0 36.6 41.9 -18.4 100 100 A S - 0 0 10 -32,-1.2 3,-0.5 -2,-0.3 48,-0.2 -0.408 15.1-138.2 -74.9 154.3 33.8 39.3 -18.7 101 101 A E S S+ 0 0 17 101,-0.4 48,-1.9 1,-0.2 47,-1.0 0.833 104.5 63.7 -75.5 -33.9 34.0 36.3 -21.0 102 102 A A S S+ 0 0 6 45,-0.2 -1,-0.2 46,-0.2 -33,-0.1 0.299 71.1 123.9 -73.5 2.8 30.4 37.0 -21.9 103 103 A C - 0 0 0 -3,-0.5 45,-1.1 -35,-0.1 46,-0.2 -0.567 61.9-130.3 -70.7 127.9 31.1 40.4 -23.4 104 104 A P B -L 147 0D 7 0, 0.0 -30,-3.5 0, 0.0 2,-0.4 -0.534 25.9-126.7 -75.0 142.1 29.7 40.6 -27.0 105 105 A L B -k 74 0C 4 41,-2.0 2,-0.5 -32,-0.2 41,-0.3 -0.812 10.3-149.6-104.5 135.1 32.2 41.9 -29.5 106 106 A I + 0 0 5 -32,-4.4 2,-0.3 -2,-0.4 -29,-0.3 -0.818 23.5 179.8 -94.6 128.6 31.9 44.8 -31.9 107 107 A L >> - 0 0 13 -2,-0.5 3,-3.0 25,-0.1 4,-0.9 -0.909 45.8 -90.4-128.6 156.8 33.9 44.3 -35.1 108 108 A D H 3> S+ 0 0 81 -2,-0.3 4,-2.8 1,-0.3 3,-0.5 0.759 124.7 60.1 -34.0 -43.8 34.3 46.5 -38.2 109 109 A Y H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.857 101.1 56.1 -59.1 -28.9 31.4 44.8 -40.0 110 110 A H H <> S+ 0 0 1 -3,-3.0 4,-1.1 2,-0.2 -1,-0.2 0.807 109.6 44.3 -71.3 -35.7 29.2 45.9 -37.0 111 111 A V H X S+ 0 0 43 -4,-0.9 4,-3.7 -3,-0.5 5,-0.2 0.897 112.0 54.9 -73.7 -41.8 30.2 49.6 -37.7 112 112 A A H X S+ 0 0 22 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.930 103.9 52.8 -56.2 -50.1 29.7 49.0 -41.4 113 113 A L H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.903 115.4 42.6 -52.8 -44.0 26.1 47.8 -40.9 114 114 A D H >X S+ 0 0 4 -4,-1.1 4,-1.8 16,-0.2 3,-0.7 0.972 113.4 49.5 -67.2 -55.9 25.4 51.0 -39.0 115 115 A N H 3X S+ 0 0 84 -4,-3.7 4,-1.2 15,-0.3 5,-0.2 0.899 114.9 45.9 -48.4 -47.6 27.2 53.4 -41.3 116 116 A A H 3X S+ 0 0 16 -4,-3.1 4,-1.4 -5,-0.2 5,-0.3 0.777 109.4 59.3 -69.2 -25.8 25.4 51.8 -44.2 117 117 A R H < - 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