==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-FEB-97 1AD4 . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.OEFNER,D.KOSTREWA . 499 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.6 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 4 3 1 0 0 0 1 3 2 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 2 A T 0 0 167 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 149.3 37.5 -9.3 23.8 2 3 A K - 0 0 113 1,-0.1 2,-0.4 241,-0.0 237,-0.1 -0.348 360.0 -95.6 -93.4 172.1 34.5 -8.2 25.9 3 4 A T - 0 0 8 235,-0.1 222,-0.2 232,-0.1 2,-0.2 -0.720 46.5-126.5 -83.2 132.8 33.5 -5.1 27.6 4 5 A K E -a 225 0A 54 220,-2.5 222,-1.8 -2,-0.4 2,-0.6 -0.547 11.6-143.1 -85.1 149.4 34.6 -5.3 31.3 5 6 A I E -a 226 0A 2 23,-0.2 25,-2.4 -2,-0.2 26,-2.0 -0.966 12.1-168.2-116.9 114.5 32.2 -4.7 34.1 6 7 A M E -ab 227 31A 5 220,-2.5 222,-2.5 -2,-0.6 2,-0.2 -0.924 13.9-151.1-104.6 110.9 33.6 -2.9 37.0 7 8 A G E -ab 228 32A 0 24,-3.2 26,-3.4 -2,-0.7 2,-0.5 -0.612 14.2-121.3 -85.2 146.5 31.2 -3.1 39.9 8 9 A I E - b 0 33A 9 220,-1.9 2,-0.6 -2,-0.2 26,-0.2 -0.775 25.1-176.3 -91.8 122.6 31.1 -0.3 42.6 9 10 A L E - b 0 34A 10 24,-3.1 26,-1.7 -2,-0.5 2,-0.5 -0.905 10.9-162.5-119.0 100.6 31.8 -1.2 46.2 10 11 A N E b 0 35A 112 -2,-0.6 26,-0.2 24,-0.2 24,-0.1 -0.714 360.0 360.0 -86.2 126.2 31.4 1.9 48.5 11 12 A V 0 0 59 24,-3.1 25,-0.1 -2,-0.5 44,-0.1 0.118 360.0 360.0-117.7 360.0 32.9 1.6 51.9 12 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 13 25 A N > 0 0 149 0, 0.0 4,-1.5 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 155.4 31.6 -3.4 58.0 14 26 A V H > + 0 0 42 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.801 360.0 48.1 -65.2 -37.2 33.7 -6.2 56.5 15 27 A E H > S+ 0 0 133 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.961 110.1 54.0 -72.1 -43.4 31.3 -9.1 56.4 16 28 A S H > S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.873 111.0 48.2 -51.5 -40.5 28.6 -6.9 54.8 17 29 A A H X S+ 0 0 10 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.879 107.5 52.2 -71.4 -39.8 31.1 -6.0 52.1 18 30 A V H X S+ 0 0 13 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.911 108.1 53.9 -62.7 -40.5 32.2 -9.5 51.3 19 31 A T H X S+ 0 0 97 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.934 109.5 46.6 -57.1 -48.7 28.6 -10.5 50.8 20 32 A R H X S+ 0 0 86 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.781 110.1 53.8 -67.4 -27.8 28.1 -7.7 48.3 21 33 A V H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.899 106.2 52.7 -73.3 -41.7 31.3 -8.7 46.4 22 34 A K H X S+ 0 0 122 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.963 109.8 48.1 -57.8 -52.0 30.2 -12.3 46.1 23 35 A A H X S+ 0 0 35 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.881 110.2 52.1 -53.6 -45.7 26.8 -11.2 44.6 24 36 A M H <>S+ 0 0 0 -4,-1.8 5,-2.7 1,-0.2 4,-0.3 0.856 108.3 51.3 -61.4 -38.2 28.6 -8.8 42.1 25 37 A M H ><5S+ 0 0 55 -4,-2.1 3,-0.9 -3,-0.3 -1,-0.2 0.885 110.7 49.2 -65.1 -39.0 30.9 -11.6 41.0 26 38 A D H 3<5S+ 0 0 148 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.857 105.9 56.0 -70.0 -35.1 27.9 -13.7 40.4 27 39 A E T 3<5S- 0 0 52 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.511 132.4 -85.8 -75.7 -4.3 26.1 -11.0 38.4 28 40 A G T < 5 + 0 0 28 -3,-0.9 -23,-0.2 -4,-0.3 2,-0.2 0.576 67.3 164.2 114.1 9.9 29.1 -10.8 36.0 29 41 A A < - 0 0 10 -5,-2.7 -1,-0.2 1,-0.2 -23,-0.2 -0.434 19.2-177.7 -68.1 128.9 31.6 -8.5 37.6 30 42 A D S S+ 0 0 37 -25,-2.4 38,-2.4 1,-0.3 2,-0.3 0.739 77.4 22.4 -89.4 -29.5 35.1 -8.6 36.1 31 43 A I E -bc 6 68A 2 -26,-2.0 -24,-3.2 36,-0.2 2,-0.5 -0.967 63.7-150.2-139.1 148.7 36.4 -6.0 38.6 32 44 A I E -bc 7 69A 0 36,-2.3 38,-2.8 -2,-0.3 2,-0.6 -0.997 17.7-153.0-120.4 122.3 35.2 -4.7 42.0 33 45 A D E -bc 8 70A 1 -26,-3.4 -24,-3.1 -2,-0.5 2,-0.5 -0.896 10.6-162.0-102.3 114.6 36.2 -1.1 42.5 34 46 A V E +bc 9 71A 0 36,-3.0 38,-3.1 -2,-0.6 2,-0.3 -0.858 18.5 159.2-102.5 126.7 36.6 -0.2 46.3 35 47 A G E +bc 10 72A 5 -26,-1.7 -24,-3.1 -2,-0.5 38,-0.1 -0.968 29.7 176.5-152.7 154.7 36.5 3.3 47.5 36 48 A G + 0 0 11 36,-0.5 2,-0.3 -2,-0.3 37,-0.1 0.001 67.5 68.0-132.5 3.6 35.9 5.3 50.6 37 49 A V - 0 0 29 35,-0.4 2,-0.3 8,-0.0 8,-0.1 -0.816 55.2-155.3-134.2 171.1 36.6 8.9 49.3 38 50 A S - 0 0 28 6,-0.3 5,-0.0 -2,-0.3 -2,-0.0 -0.980 14.1-154.2-144.5 148.7 35.2 11.5 47.0 39 51 A T + 0 0 14 -2,-0.3 6,-0.1 2,-0.1 -1,-0.0 0.112 56.6 124.7-110.7 20.1 36.8 14.5 45.2 40 52 A R > - 0 0 102 4,-0.1 3,-2.0 120,-0.1 -2,-0.1 -0.701 66.7-124.0 -80.8 119.7 33.5 16.4 45.0 41 53 A P T 3 S+ 0 0 132 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.363 102.3 38.5 -58.7 144.7 34.0 19.9 46.6 42 54 A G T 3 S+ 0 0 92 1,-0.4 2,-0.2 -3,-0.0 3,-0.1 0.352 97.3 110.1 92.3 -8.5 31.4 20.2 49.4 43 55 A H S < S- 0 0 101 -3,-2.0 -1,-0.4 1,-0.1 -5,-0.0 -0.607 82.0 -83.9 -97.8 160.2 31.9 16.5 50.3 44 56 A E - 0 0 110 -2,-0.2 2,-0.4 -3,-0.1 -6,-0.3 -0.360 39.8-152.1 -63.5 142.1 33.6 15.2 53.5 45 57 A M - 0 0 170 -8,-0.1 2,-0.3 -3,-0.1 -6,-0.1 -0.892 16.5-171.3-110.7 143.8 37.4 15.0 53.3 46 58 A I - 0 0 31 -2,-0.4 2,-0.1 1,-0.1 -9,-0.0 -0.860 23.7 -93.5-133.8 170.3 39.1 12.4 55.5 47 59 A T > - 0 0 74 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.294 30.8-114.1 -80.7 167.3 42.6 11.5 56.5 48 60 A V H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.939 121.3 53.1 -60.9 -47.3 44.9 9.0 54.8 49 61 A E H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.805 108.9 47.2 -56.7 -37.6 44.6 7.0 58.1 50 62 A E H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.861 109.5 53.4 -75.8 -36.5 40.8 7.1 58.0 51 63 A E H X S+ 0 0 0 -4,-2.2 4,-3.6 1,-0.2 5,-0.3 0.964 109.6 50.6 -60.5 -48.2 40.8 6.0 54.4 52 64 A L H X S+ 0 0 38 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.920 108.6 49.2 -54.0 -51.1 43.0 3.1 55.5 53 65 A N H < S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 118.8 41.2 -58.4 -37.7 40.7 2.0 58.3 54 66 A R H < S+ 0 0 66 -4,-2.1 4,-0.3 -5,-0.1 -2,-0.2 0.920 127.1 29.7 -75.0 -45.1 37.8 2.1 55.9 55 67 A V H >X S+ 0 0 0 -4,-3.6 4,-2.0 -5,-0.2 3,-1.0 0.937 108.8 59.9 -84.9 -54.4 39.5 0.6 52.9 56 68 A L H 3X S+ 0 0 49 -4,-1.8 4,-2.3 -5,-0.3 5,-0.2 0.868 101.3 52.4 -50.3 -46.6 42.3 -1.8 54.0 57 69 A P H 3> S+ 0 0 50 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.847 112.4 47.3 -63.3 -26.0 40.2 -4.3 56.0 58 70 A V H <> S+ 0 0 9 -3,-1.0 4,-0.8 -4,-0.3 -2,-0.2 0.916 111.7 47.8 -76.5 -44.6 37.8 -4.7 53.0 59 71 A V H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-0.9 0.913 108.5 56.6 -60.4 -44.8 40.5 -5.2 50.3 60 72 A E H 3< S+ 0 0 127 -4,-2.3 4,-0.3 1,-0.3 -1,-0.2 0.863 109.5 45.5 -52.7 -45.5 42.2 -7.8 52.6 61 73 A A H 3< S+ 0 0 40 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.580 122.1 34.8 -78.4 -13.3 39.1 -9.9 52.8 62 74 A I H X< S+ 0 0 0 -3,-0.9 3,-1.2 -4,-0.8 -2,-0.2 0.568 88.9 88.4-120.0 -8.5 38.3 -9.7 49.1 63 75 A V T 3< S+ 0 0 37 -4,-2.5 4,-0.2 1,-0.2 -3,-0.1 0.784 84.7 61.1 -63.5 -22.2 41.6 -9.7 47.3 64 76 A G T 3 S+ 0 0 73 -4,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.771 83.5 101.2 -73.4 -25.1 41.6 -13.5 47.3 65 77 A F S < S- 0 0 60 -3,-1.2 2,-1.7 1,-0.1 4,-0.1 -0.045 88.3-103.4 -57.8 160.8 38.5 -13.9 45.2 66 78 A D S S+ 0 0 156 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.529 92.8 84.7 -89.6 71.1 38.5 -14.6 41.5 67 79 A V S S- 0 0 18 -2,-1.7 -36,-0.2 -4,-0.2 2,-0.2 -0.945 84.3-100.9-161.5 148.2 37.8 -11.1 40.4 68 80 A K E -c 31 0A 63 -38,-2.4 -36,-2.3 -2,-0.3 2,-0.5 -0.530 32.1-144.3 -79.3 149.2 40.0 -8.1 39.9 69 81 A I E -c 32 0A 0 -38,-0.2 19,-1.9 17,-0.2 20,-1.8 -0.952 16.0-176.6-118.0 129.6 40.2 -5.5 42.6 70 82 A S E -cd 33 89A 0 -38,-2.8 -36,-3.0 -2,-0.5 2,-0.5 -0.922 15.0-145.7-119.7 146.6 40.6 -1.8 41.9 71 83 A V E -cd 34 90A 0 18,-1.7 20,-2.3 -2,-0.4 2,-1.2 -0.976 7.6-142.4-121.8 122.9 40.9 0.8 44.6 72 84 A D E +cd 35 91A 8 -38,-3.1 -36,-0.5 -2,-0.5 -35,-0.4 -0.679 52.6 127.5 -82.1 92.5 39.4 4.3 44.2 73 85 A T - 0 0 0 -2,-1.2 21,-0.1 18,-1.1 -2,-0.1 -0.990 47.4-161.9-150.1 149.8 42.0 6.5 45.8 74 86 A F S S+ 0 0 18 -2,-0.3 2,-0.5 18,-0.2 25,-0.2 0.261 73.8 82.0-115.6 7.2 44.0 9.6 44.9 75 87 A R >> - 0 0 31 23,-0.1 4,-1.9 1,-0.1 3,-0.9 -0.972 70.0-145.1-118.2 123.9 46.8 9.3 47.5 76 88 A S H 3> S+ 0 0 11 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.610 95.9 64.3 -65.9 -14.5 49.7 6.9 46.9 77 89 A E H 3> S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.867 107.4 41.4 -76.3 -36.9 50.0 5.8 50.5 78 90 A V H <> S+ 0 0 0 -3,-0.9 4,-1.8 2,-0.2 -2,-0.2 0.906 114.7 54.7 -73.9 -41.0 46.5 4.3 50.4 79 91 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 3,-0.2 0.948 110.1 43.6 -55.4 -56.8 47.4 2.9 46.9 80 92 A E H X S+ 0 0 51 -4,-2.5 4,-2.4 2,-0.3 -1,-0.2 0.901 107.4 58.4 -57.0 -47.4 50.6 1.1 48.1 81 93 A A H < S+ 0 0 22 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.909 113.7 41.9 -50.5 -40.9 48.9 -0.3 51.2 82 94 A C H ><>S+ 0 0 0 -4,-1.8 3,-2.1 -3,-0.2 5,-1.5 0.904 109.6 54.5 -74.8 -41.9 46.5 -1.9 48.7 83 95 A L H ><5S+ 0 0 7 -4,-2.7 3,-1.0 1,-0.3 -2,-0.2 0.776 100.8 62.8 -64.3 -23.7 49.1 -3.0 46.1 84 96 A K T 3<5S+ 0 0 136 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.610 101.3 52.3 -74.0 -12.3 50.9 -4.8 49.0 85 97 A L T < 5S- 0 0 55 -3,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.382 128.7 -96.5-103.1 2.0 47.7 -6.9 49.3 86 98 A G T < 5 + 0 0 42 -3,-1.0 -3,-0.2 -4,-0.3 -17,-0.2 0.611 62.3 166.8 94.7 17.1 47.7 -7.8 45.6 87 99 A V < - 0 0 8 -5,-1.5 -1,-0.2 -8,-0.1 -17,-0.1 -0.286 24.6-152.9 -62.3 150.2 45.2 -5.3 44.2 88 100 A D + 0 0 62 -19,-1.9 24,-1.9 1,-0.2 2,-0.3 0.754 66.3 30.3 -98.2 -29.5 45.3 -5.0 40.4 89 101 A I E -de 70 112A 2 -20,-1.8 -18,-1.7 22,-0.2 2,-0.5 -0.971 55.6-150.7-136.2 144.6 44.1 -1.5 39.5 90 102 A I E -de 71 113A 0 22,-1.9 24,-2.4 -2,-0.3 2,-0.8 -0.983 15.2-155.4-114.7 119.0 44.4 1.9 41.1 91 103 A N E -de 72 114A 5 -20,-2.3 -18,-1.1 -2,-0.5 2,-0.7 -0.844 13.6-163.3 -96.8 107.0 41.4 4.2 40.1 92 104 A D E > - e 0 115A 0 22,-2.1 3,-2.0 -2,-0.8 24,-2.0 -0.802 21.0-167.6-104.9 106.6 42.6 7.8 40.4 93 105 A Q T 3 S+ 0 0 9 -2,-0.7 -1,-0.1 1,-0.3 -19,-0.1 0.634 96.5 44.2 -58.9 -15.7 40.0 10.6 40.5 94 106 A W T > S- 0 0 59 -21,-0.1 3,-2.3 24,-0.1 -1,-0.3 0.318 103.6-126.6-111.6 4.5 42.9 13.1 40.0 95 107 A A T < S- 0 0 1 -3,-2.0 20,-0.1 19,-0.3 -2,-0.1 0.850 76.3 -53.5 50.9 38.8 44.8 11.2 37.3 96 108 A G T 3 S+ 0 0 1 1,-0.1 -1,-0.3 6,-0.0 6,-0.2 0.517 116.7 111.9 76.1 7.9 47.9 11.4 39.4 97 109 A L S < S+ 0 0 75 -3,-2.3 3,-0.2 1,-0.1 -2,-0.1 0.717 73.6 53.9 -84.2 -22.8 47.7 15.2 39.9 98 110 A Y S S+ 0 0 115 1,-0.3 2,-0.5 -24,-0.1 -1,-0.1 0.932 123.4 21.0 -74.9 -44.0 46.9 15.0 43.6 99 111 A D > - 0 0 29 -25,-0.2 3,-1.0 1,-0.1 -1,-0.3 -0.983 64.5-161.3-130.2 117.2 49.9 12.8 44.5 100 112 A H T 3 S+ 0 0 144 -2,-0.5 4,-0.2 1,-0.2 -1,-0.1 0.409 87.4 65.2 -82.0 3.9 52.9 12.8 42.2 101 113 A R T 3> S+ 0 0 151 1,-0.1 4,-2.2 2,-0.1 -1,-0.2 0.495 77.5 91.5 -98.2 -8.8 54.2 9.5 43.6 102 114 A M H <> S+ 0 0 0 -3,-1.0 4,-3.3 1,-0.2 5,-0.2 0.904 82.3 49.2 -51.2 -56.0 51.2 7.5 42.4 103 115 A F H > S+ 0 0 17 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.850 112.7 49.4 -58.1 -35.6 52.5 6.4 38.9 104 116 A Q H > S+ 0 0 61 -4,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.895 112.9 46.1 -73.0 -38.0 55.7 5.2 40.6 105 117 A V H X S+ 0 0 3 -4,-2.2 4,-1.2 2,-0.2 3,-0.4 0.967 115.0 47.4 -65.9 -51.7 53.8 3.2 43.2 106 118 A V H ><>S+ 0 0 0 -4,-3.3 5,-2.3 1,-0.2 3,-0.6 0.926 113.8 46.0 -55.4 -49.2 51.4 1.8 40.6 107 119 A A H ><5S+ 0 0 17 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.2 0.764 103.7 66.0 -67.8 -22.9 54.2 0.8 38.2 108 120 A K H 3<5S+ 0 0 116 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.876 108.1 37.1 -66.8 -37.5 56.2 -0.7 41.1 109 121 A Y T <<5S- 0 0 61 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.087 115.1-115.5-100.7 23.5 53.6 -3.4 41.6 110 122 A D T < 5 + 0 0 125 -3,-1.2 -3,-0.2 1,-0.1 -4,-0.1 0.757 66.1 150.8 50.0 32.0 53.0 -3.8 37.8 111 123 A A < - 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