==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-NOV-07 2ZDH . COMPND 2 MOLECULE: D-ALANINE--D-ALANINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.KITAMUTA,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL . 1268 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 855 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 210 16.6 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 . 4 0.3 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 . 106 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 330 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 0 2 0 0 14 5 4 1 3 1 4 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 6 4 6 2 8 4 4 4 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 4 2 4 0 0 0 1 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 M 0 0 100 0, 0.0 2,-0.4 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 133.9 16.9 3.5 17.1 2 2 A R - 0 0 70 28,-0.1 73,-2.2 2,-0.0 74,-1.1 -0.975 360.0-159.5-145.4 129.1 18.6 6.4 15.3 3 3 A V E -ab 32 76A 0 28,-2.6 30,-2.8 -2,-0.4 2,-0.6 -0.842 9.2-147.2-109.0 142.3 18.1 7.6 11.7 4 4 A L E -ab 33 77A 1 72,-2.2 74,-3.6 -2,-0.4 2,-0.5 -0.945 14.5-160.9-107.7 120.1 20.5 9.8 9.6 5 5 A L E -ab 34 78A 0 28,-3.2 30,-2.9 -2,-0.6 2,-0.5 -0.892 4.1-164.8-102.9 125.3 18.6 12.0 7.2 6 6 A I E +ab 35 79A 1 72,-2.1 74,-2.9 -2,-0.5 2,-0.3 -0.953 19.2 157.5-113.6 127.9 20.7 13.4 4.3 7 7 A A E +a 36 0A 0 28,-2.0 30,-2.6 -2,-0.5 2,-0.7 -0.893 34.7 49.6-142.5 172.0 19.4 16.3 2.3 8 8 A G E +a 37 0A 1 72,-0.5 74,-0.5 -2,-0.3 9,-0.2 -0.905 61.3 178.4 101.6-114.2 20.5 19.2 0.0 9 9 A G - 0 0 3 28,-2.2 32,-0.1 -2,-0.7 76,-0.1 -0.189 44.4 -89.4 100.1 166.9 22.9 17.8 -2.7 10 10 A V S S+ 0 0 60 75,-0.3 -1,-0.1 74,-0.2 75,-0.1 0.562 90.8 101.9 -93.6 -7.9 24.7 19.3 -5.7 11 11 A S S > S- 0 0 7 73,-0.4 3,-1.8 71,-0.2 71,-0.1 -0.189 92.0-101.1 -71.6 166.4 21.9 18.7 -8.1 12 12 A P T 3 S+ 0 0 71 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.678 120.2 67.3 -60.9 -15.6 19.5 21.5 -9.3 13 13 A E T 3> + 0 0 3 69,-0.3 4,-2.5 1,-0.2 5,-0.2 0.228 63.5 116.8 -90.9 15.5 17.0 20.1 -6.8 14 14 A H H <> S+ 0 0 0 -3,-1.8 4,-1.9 1,-0.2 -6,-0.3 0.906 78.2 44.3 -47.6 -52.3 19.1 21.1 -3.8 15 15 A E H > S+ 0 0 97 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.869 111.3 53.3 -65.1 -35.9 16.4 23.5 -2.5 16 16 A V H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 106.7 54.5 -65.8 -36.7 13.6 21.0 -3.1 17 17 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 -9,-0.2 -2,-0.2 0.922 105.8 50.3 -61.9 -46.9 15.6 18.5 -1.1 18 18 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.879 109.2 53.1 -61.2 -35.6 15.9 20.8 1.9 19 19 A L H X S+ 0 0 60 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.919 108.6 49.2 -64.8 -42.4 12.1 21.3 1.7 20 20 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.909 108.5 54.3 -61.8 -41.2 11.5 17.6 1.7 21 21 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.861 102.4 57.2 -61.0 -38.3 13.8 17.3 4.8 22 22 A E H X S+ 0 0 65 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.936 110.5 44.0 -58.9 -47.1 11.8 19.9 6.7 23 23 A G H X S+ 0 0 1 -4,-1.6 4,-1.1 2,-0.2 3,-0.2 0.928 116.6 45.0 -64.9 -46.4 8.7 17.8 6.3 24 24 A V H >X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-0.6 0.918 110.2 54.4 -64.8 -44.4 10.4 14.5 7.1 25 25 A L H 3< S+ 0 0 47 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.792 106.2 54.6 -61.0 -28.0 12.2 16.0 10.1 26 26 A R H 3< S+ 0 0 135 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.796 122.6 21.2 -77.8 -29.9 8.9 17.2 11.6 27 27 A H H << S+ 0 0 72 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.1 0.484 80.6 124.1-120.2 -1.9 7.0 13.9 11.6 28 28 A I < - 0 0 17 -4,-2.2 2,-1.0 -5,-0.1 4,-0.1 -0.452 55.7-142.5 -63.3 120.4 9.6 11.1 11.5 29 29 A P S S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.091 72.0 76.2 -77.9 39.0 8.8 8.9 14.5 30 30 A F S S- 0 0 42 -2,-1.0 2,-0.2 -27,-0.0 -28,-0.1 -0.994 96.0 -90.3-146.8 150.2 12.4 8.1 15.3 31 31 A P - 0 0 70 0, 0.0 -28,-2.6 0, 0.0 2,-0.4 -0.466 61.0-177.2 -59.3 125.1 15.4 9.9 16.9 32 32 A T E -a 3 0A 29 -30,-0.2 2,-0.3 -2,-0.2 -28,-0.2 -0.990 23.9-159.0-136.3 140.5 16.9 11.4 13.7 33 33 A D E -a 4 0A 49 -30,-2.8 -28,-3.2 -2,-0.4 2,-0.4 -0.823 17.5-136.2-111.1 153.1 19.9 13.5 12.9 34 34 A L E -a 5 0A 13 -2,-0.3 2,-0.4 -30,-0.2 12,-0.3 -0.933 16.4-175.4-115.1 133.8 20.3 15.7 9.8 35 35 A A E -a 6 0A 1 -30,-2.9 -28,-2.0 -2,-0.4 2,-0.4 -0.989 14.2-154.2-122.7 132.7 23.4 16.0 7.6 36 36 A V E -aC 7 44A 0 8,-2.8 8,-3.1 -2,-0.4 2,-0.7 -0.903 8.7-150.9-114.4 136.2 23.3 18.5 4.7 37 37 A I E -aC 8 43A 14 -30,-2.6 -28,-2.2 -2,-0.4 6,-0.2 -0.924 25.1-139.9-102.5 119.2 25.3 18.4 1.5 38 38 A A > - 0 0 0 4,-2.8 3,-2.4 -2,-0.7 22,-0.1 -0.273 26.7-101.3 -73.6 164.8 25.9 21.9 0.3 39 39 A Q T 3 S+ 0 0 82 19,-2.9 21,-0.2 1,-0.3 -1,-0.1 0.705 123.8 58.3 -60.7 -19.4 25.7 22.9 -3.3 40 40 A D T 3 S- 0 0 75 19,-0.7 -1,-0.3 18,-0.3 3,-0.1 0.309 119.8-109.9 -92.9 9.7 29.5 22.8 -3.5 41 41 A G S < S+ 0 0 23 -3,-2.4 2,-0.3 1,-0.3 24,-0.2 0.322 79.9 123.4 84.2 -9.9 29.5 19.1 -2.4 42 42 A R - 0 0 103 22,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.649 60.1-118.7 -86.7 143.9 30.9 19.7 1.0 43 43 A W E -CD 37 63A 9 20,-3.2 20,-2.7 -2,-0.3 19,-1.8 -0.498 14.3-153.9 -87.1 152.4 28.9 18.5 4.0 44 44 A L E -C 36 0A 11 -8,-3.1 -8,-2.8 17,-0.2 2,-0.2 -0.994 21.3-172.1-122.8 122.4 27.4 20.4 6.9 45 45 A L >> - 0 0 32 -2,-0.5 3,-1.2 -10,-0.2 4,-0.6 -0.704 42.3 -8.7-115.5 166.9 26.9 18.5 10.1 46 46 A G H >> S- 0 0 51 -12,-0.3 4,-1.5 1,-0.3 3,-1.1 -0.162 128.6 -2.5 52.8-135.8 25.2 19.1 13.5 47 47 A E H 3> S+ 0 0 162 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.837 132.6 59.3 -57.5 -35.8 24.0 22.6 14.2 48 48 A K H <> S+ 0 0 108 -3,-1.2 4,-1.8 1,-0.2 -1,-0.3 0.817 102.6 54.3 -64.5 -28.0 25.4 23.9 10.9 49 49 A A H S+ 0 0 7 -4,-1.8 4,-1.0 2,-0.2 5,-0.8 0.920 107.9 54.1 -66.6 -43.7 21.4 25.4 6.5 53 53 A L H ><5S+ 0 0 8 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.899 108.3 49.0 -57.4 -43.1 17.9 23.8 6.6 54 54 A E H 3<5S+ 0 0 120 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.828 107.9 54.7 -67.6 -30.7 16.5 27.0 8.0 55 55 A A H 3<5S- 0 0 66 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.684 101.8-138.4 -75.1 -18.1 18.2 29.1 5.3 56 56 A K T <<5S+ 0 0 58 -4,-1.0 2,-0.3 -3,-0.6 -38,-0.2 0.450 79.7 50.4 73.6 1.8 16.5 26.8 2.7 57 57 A A < - 0 0 28 -5,-0.8 -19,-0.1 -39,-0.1 -42,-0.0 -0.861 62.2-160.3-168.1 131.6 19.7 26.7 0.7 58 58 A A + 0 0 5 -2,-0.3 -19,-2.9 -21,-0.2 -18,-0.3 -0.833 12.2 174.3-120.5 92.3 23.3 25.8 1.6 59 59 A P S S+ 0 0 71 0, 0.0 -19,-0.7 0, 0.0 2,-0.4 0.909 70.1 36.9 -62.0 -43.7 25.8 27.2 -1.1 60 60 A E - 0 0 151 -21,-0.2 2,-0.2 -22,-0.1 -21,-0.1 -0.917 67.5-165.0-119.6 139.2 28.9 26.2 0.9 61 61 A G - 0 0 12 -2,-0.4 -18,-0.2 -23,-0.1 -17,-0.2 -0.651 16.9-140.7-113.8 172.3 29.7 23.2 3.0 62 62 A E S S+ 0 0 90 -19,-1.8 -18,-0.2 -2,-0.2 -1,-0.1 0.871 77.0 58.4 -99.7 -47.2 32.5 22.4 5.6 63 63 A H B S-D 43 0A 34 -20,-2.7 -20,-3.2 1,-0.0 -1,-0.2 -0.768 71.7-136.2 -97.8 123.7 33.5 18.7 5.1 64 64 A P - 0 0 76 0, 0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.406 55.0 -57.6 -69.3 148.9 34.9 17.3 1.9 65 65 A F S S+ 0 0 27 352,-0.2 -23,-0.0 -24,-0.2 0, 0.0 -0.491 122.9 46.9 -71.1 139.2 33.4 13.9 1.0 66 66 A P S S- 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -24,-0.0 0.495 91.8-143.1 -84.1 141.5 33.5 11.5 2.7 67 67 A P - 0 0 7 0, 0.0 2,-2.1 0, 0.0 -2,-0.1 -0.189 21.4-108.9 -66.8 154.2 32.4 13.3 5.9 68 68 A P + 0 0 89 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 -0.348 64.6 151.8 -81.5 59.0 33.7 12.6 9.4 69 69 A L - 0 0 26 -2,-2.1 2,-1.9 1,-0.0 3,-0.2 -0.743 54.2-126.4 -94.7 139.2 30.4 11.1 10.4 70 70 A S > + 0 0 56 -2,-0.4 3,-2.0 1,-0.2 4,-0.2 -0.598 32.9 179.6 -82.1 80.9 30.1 8.4 13.1 71 71 A W G > S+ 0 0 21 -2,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.783 71.3 70.3 -54.8 -31.4 28.2 6.0 10.8 72 72 A E G 3 S+ 0 0 150 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.711 87.5 66.9 -60.8 -21.1 28.0 3.3 13.6 73 73 A R G < S+ 0 0 126 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 0.620 91.9 74.9 -76.2 -11.7 25.6 5.6 15.5 74 74 A Y < - 0 0 15 -3,-1.9 -71,-0.2 -4,-0.2 3,-0.1 -0.885 53.0-170.8-112.4 132.4 22.9 5.1 12.8 75 75 A D S S+ 0 0 75 -73,-2.2 2,-0.3 -2,-0.4 -72,-0.2 0.819 82.8 15.2 -81.5 -36.1 20.7 2.1 12.2 76 76 A V E -b 3 0A 0 -74,-1.1 -72,-2.2 24,-0.1 2,-0.5 -0.999 66.0-144.7-142.6 142.1 19.3 3.4 8.9 77 77 A V E -be 4 102A 0 24,-2.1 26,-2.2 -2,-0.3 -72,-0.2 -0.925 10.6-156.9-106.9 129.5 20.3 6.2 6.5 78 78 A F E -b 5 0A 0 -74,-3.6 -72,-2.1 -2,-0.5 2,-0.9 -0.840 7.1-156.8-107.9 93.4 17.5 8.1 4.8 79 79 A P E +b 6 0A 0 0, 0.0 -72,-0.1 0, 0.0 -74,-0.1 -0.596 16.7 175.3 -73.7 107.6 18.9 9.6 1.6 80 80 A L + 0 0 0 -74,-2.9 -72,-0.5 -2,-0.9 2,-0.5 -0.240 33.5 128.8-106.4 43.2 16.5 12.5 0.9 81 81 A L - 0 0 2 5,-0.3 2,-0.4 -74,-0.2 -72,-0.1 -0.844 46.2-151.2-100.7 131.1 18.5 13.8 -2.1 82 82 A H + 0 0 2 -74,-0.5 -69,-0.3 -2,-0.5 -71,-0.2 -0.851 55.2 0.6-103.7 139.7 16.6 14.4 -5.3 83 83 A G S >>S+ 0 0 2 -2,-0.4 4,-2.9 74,-0.2 5,-0.5 -0.338 107.5 0.6 88.4-168.0 18.4 14.1 -8.7 84 84 A R T 45S+ 0 0 88 1,-0.2 -73,-0.4 2,-0.2 -74,-0.2 -0.155 124.6 26.4 -57.2 152.3 21.9 13.2 -9.7 85 85 A F T 45S+ 0 0 51 1,-0.1 -75,-0.3 -75,-0.1 -1,-0.2 0.886 132.6 35.4 60.0 42.2 24.4 12.4 -6.9 86 86 A G T 45S+ 0 0 0 -3,-0.4 -5,-0.3 -5,-0.1 -2,-0.2 0.121 120.9 32.7 179.8 -46.3 21.6 11.3 -4.6 87 87 A E T <5S+ 0 0 1 -4,-2.9 198,-0.2 1,-0.1 -3,-0.2 0.383 104.3 74.6-110.3 -0.7 18.7 9.5 -6.3 88 88 A D S S+ 0 0 0 -3,-0.2 4,-2.0 21,-0.2 324,-0.1 0.266 100.9 103.6 97.2 -12.6 22.6 5.0 -7.3 90 90 A T H > S+ 0 0 5 2,-0.2 4,-1.6 1,-0.2 327,-0.1 0.972 87.8 36.4 -68.4 -55.6 25.7 7.0 -6.4 91 91 A V H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.889 116.1 57.1 -64.2 -36.9 25.0 7.6 -2.7 92 92 A Q H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 103.8 52.8 -59.8 -41.6 23.4 4.2 -2.6 93 93 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.895 108.0 50.5 -61.0 -40.7 26.6 2.6 -3.8 94 94 A F H X S+ 0 0 2 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.929 110.7 49.3 -62.3 -45.1 28.6 4.4 -1.0 95 95 A L H X>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-0.9 0.839 107.6 54.3 -64.7 -34.3 26.1 3.1 1.6 96 96 A E H ><5S+ 0 0 76 -4,-2.1 3,-0.5 2,-0.2 -1,-0.2 0.924 109.3 47.9 -64.5 -43.5 26.4 -0.4 0.2 97 97 A L H 3<5S+ 0 0 38 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.826 110.9 51.4 -65.6 -31.0 30.2 -0.3 0.7 98 98 A L H 3<5S- 0 0 35 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.657 109.4-129.2 -78.5 -17.8 29.7 1.1 4.2 99 99 A G T <<5 + 0 0 62 -4,-0.9 -3,-0.2 -3,-0.5 -2,-0.1 0.790 57.5 147.6 72.3 28.9 27.3 -1.8 4.8 100 100 A K < - 0 0 34 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.842 49.8-123.2-103.5 127.2 24.7 0.6 6.1 101 101 A P - 0 0 50 0, 0.0 -24,-2.1 0, 0.0 2,-0.3 -0.315 38.2-176.4 -61.9 147.4 21.0 -0.1 5.7 102 102 A Y B -e 77 0A 22 215,-0.4 -24,-0.2 -26,-0.2 2,-0.2 -0.989 26.9-101.1-148.7 158.4 19.2 2.7 3.9 103 103 A V S S+ 0 0 0 -26,-2.2 211,-0.1 -2,-0.3 162,-0.1 -0.484 77.2 7.1 -77.5 144.4 15.7 3.8 2.7 104 104 A G S S- 0 0 3 209,-0.3 161,-0.2 -2,-0.2 -2,-0.1 -0.207 98.6 -5.6 88.6-174.0 14.6 3.4 -0.9 105 105 A A - 0 0 1 161,-0.3 -16,-0.1 180,-0.2 158,-0.1 -0.165 63.5-120.9 -62.1 147.9 15.8 1.8 -4.0 106 106 A G > - 0 0 17 156,-0.4 4,-2.2 4,-0.0 5,-0.2 0.034 43.0 -78.6 -74.4-171.5 19.2 0.1 -4.4 107 107 A V H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 125.9 43.1 -58.2 -55.1 22.0 1.0 -6.9 108 108 A A H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.935 118.0 43.5 -60.0 -51.3 20.6 -0.7 -10.0 109 109 A A H > S+ 0 0 6 153,-0.2 4,-2.7 2,-0.2 5,-0.2 0.876 114.8 50.4 -64.2 -38.8 17.0 0.4 -9.5 110 110 A S H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.923 113.5 44.5 -64.7 -46.0 18.0 4.0 -8.6 111 111 A A H X S+ 0 0 3 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.912 117.1 46.2 -65.5 -41.5 20.2 4.4 -11.6 112 112 A L H < S+ 0 0 0 -4,-2.5 7,-0.4 -5,-0.2 3,-0.3 0.911 110.2 50.4 -69.9 -44.8 17.7 2.9 -13.9 113 113 A C H < S+ 0 0 4 -4,-2.7 170,-0.4 1,-0.2 -1,-0.2 0.792 110.0 52.7 -66.0 -26.5 14.6 4.8 -12.7 114 114 A M H < S+ 0 0 8 -4,-1.3 2,-0.8 -5,-0.2 43,-0.5 0.797 91.9 82.8 -78.1 -29.2 16.5 8.1 -13.0 115 115 A D X - 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