==== 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 CELL CYCLE 06-SEP-07 2R6R . COMPND 2 MOLECULE: CELL DIVISION PROTEIN FTSZ; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR D.TRAMBAIOLO,M.A.OLIVA,J.LOWE . 323 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 79.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 26 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 1 0 2 0 1 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 2 1 1 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 . 4 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 8 1 C 0 0 72 0, 0.0 2,-0.7 0, 0.0 84,-0.0 0.000 360.0 360.0 360.0 159.2 22.1 1.5 6.1 2 9 1 K + 0 0 117 25,-0.1 84,-2.6 2,-0.0 85,-1.9 -0.842 360.0 174.9-106.8 106.7 18.6 2.5 5.1 3 10 1 I E -a 87 0A 4 -2,-0.7 25,-2.2 23,-0.5 2,-0.4 -0.912 5.7-173.3-112.2 136.6 15.7 1.0 7.0 4 11 1 K E -ab 88 28A 8 83,-2.3 85,-2.2 -2,-0.4 2,-0.5 -0.960 11.1-156.1-123.9 145.4 12.1 1.8 6.6 5 12 1 V E -ab 89 29A 0 23,-2.4 25,-2.6 -2,-0.4 2,-0.5 -0.994 11.6-167.2-120.0 126.7 9.1 0.7 8.6 6 13 1 I E -ab 90 30A 0 83,-3.2 85,-2.8 -2,-0.5 2,-0.5 -0.957 8.4-155.1-120.7 115.0 5.7 0.8 6.9 7 14 1 G E -ab 91 31A 0 23,-3.0 25,-3.2 -2,-0.5 2,-0.5 -0.761 13.1-158.3 -82.7 129.4 2.4 0.4 8.8 8 15 1 V E > -ab 92 32A 1 83,-3.1 4,-0.7 -2,-0.5 85,-0.6 -0.946 54.2 -13.4-117.5 118.5 -0.3 -0.9 6.6 9 16 1 G H > S- 0 0 3 23,-2.8 4,-2.4 -2,-0.5 5,-0.2 -0.287 103.0 -53.5 82.4-175.8 -4.0 -0.3 7.6 10 17 1 G H > S+ 0 0 29 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.929 135.8 43.3 -68.4 -48.5 -5.2 0.9 11.0 11 18 1 G H > S+ 0 0 43 2,-0.2 4,-2.2 82,-0.2 -1,-0.2 0.945 117.1 46.2 -63.3 -48.4 -3.6 -1.7 13.2 12 19 1 G H X S+ 0 0 1 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.898 113.5 50.3 -60.3 -42.5 -0.2 -1.5 11.3 13 20 1 S H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.931 109.2 51.5 -61.5 -46.3 -0.4 2.3 11.4 14 21 1 N H X S+ 0 0 59 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.888 109.4 49.9 -60.9 -38.1 -1.1 2.3 15.1 15 22 1 A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.918 112.5 46.3 -66.9 -42.9 1.9 0.0 15.8 16 23 1 V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.912 108.8 56.3 -68.3 -38.8 4.3 2.3 13.7 17 24 1 N H X S+ 0 0 20 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.901 107.4 49.7 -53.0 -42.8 2.8 5.3 15.5 18 25 1 R H X S+ 0 0 52 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.907 106.5 54.3 -67.0 -39.9 3.8 3.6 18.8 19 26 1 M H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 4,-0.2 0.911 108.9 49.7 -59.3 -39.2 7.3 3.0 17.5 20 27 1 Y H ><5S+ 0 0 103 -4,-2.3 3,-1.6 3,-0.2 -2,-0.2 0.950 112.4 46.8 -60.6 -50.0 7.6 6.7 16.7 21 28 1 E H 3<5S+ 0 0 96 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.879 106.6 58.5 -61.1 -39.6 6.3 7.6 20.2 22 29 1 D T 3<5S- 0 0 54 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.494 120.7-110.5 -69.9 -4.8 8.8 5.1 21.7 23 30 1 G T < 5 - 0 0 36 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.786 42.4-173.5 83.0 32.7 11.6 7.0 20.0 24 31 1 I < - 0 0 18 -5,-2.2 2,-0.3 1,-0.0 3,-0.2 -0.380 14.9-159.2 -56.6 128.7 12.8 4.7 17.3 25 32 1 E + 0 0 130 1,-0.1 166,-0.2 159,-0.1 3,-0.1 -0.832 57.1 23.8-115.4 154.7 15.9 6.3 15.8 26 33 1 G S S+ 0 0 48 -2,-0.3 -23,-0.5 1,-0.2 2,-0.3 0.624 98.2 95.5 74.4 16.6 17.7 6.0 12.5 27 34 1 V S S- 0 0 22 -3,-0.2 2,-0.5 -25,-0.1 -23,-0.2 -0.967 70.8-124.7-135.0 151.4 14.8 4.7 10.5 28 35 1 E E -b 4 0A 91 -25,-2.2 -23,-2.4 -2,-0.3 2,-0.4 -0.854 27.8-149.6 -98.7 132.5 12.1 6.3 8.3 29 36 1 L E +b 5 0A 7 -2,-0.5 17,-0.8 -25,-0.2 2,-0.3 -0.834 16.1 179.7-108.1 138.4 8.5 5.6 9.3 30 37 1 Y E -bc 6 46A 12 -25,-2.6 -23,-3.0 -2,-0.4 2,-0.4 -0.982 16.1-157.9-135.5 147.1 5.5 5.4 7.0 31 38 1 A E -bc 7 47A 0 15,-2.4 17,-3.2 -2,-0.3 2,-0.5 -0.996 13.1-169.8-122.7 127.9 1.8 4.8 7.5 32 39 1 I E +bc 8 48A 1 -25,-3.2 -23,-2.8 -2,-0.4 2,-0.3 -0.966 18.1 152.1-117.3 127.9 -0.2 3.5 4.5 33 40 1 N E - c 0 49A 3 15,-1.9 17,-1.8 -2,-0.5 -2,-0.0 -0.997 49.7-144.7-151.8 156.6 -4.0 3.4 4.5 34 41 1 T S S+ 0 0 0 -2,-0.3 25,-1.9 15,-0.2 2,-0.9 0.504 91.5 82.8 -87.1 -11.9 -7.1 3.5 2.4 35 42 1 D B > -G 58 0B 55 23,-0.2 4,-1.8 1,-0.2 23,-0.2 -0.832 59.8-175.4-100.4 97.6 -8.8 5.3 5.3 36 43 1 V H > S+ 0 0 63 21,-2.2 4,-1.7 -2,-0.9 -1,-0.2 0.836 81.4 57.8 -64.5 -36.0 -7.8 9.0 5.0 37 44 1 Q H > S+ 0 0 136 20,-0.6 4,-0.7 2,-0.2 -1,-0.2 0.928 105.7 49.9 -61.5 -44.7 -9.4 9.9 8.3 38 45 1 H H >4 S+ 0 0 36 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.936 107.6 53.8 -60.6 -43.2 -7.3 7.4 10.2 39 46 1 L H >< S+ 0 0 10 -4,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.879 100.6 61.7 -55.6 -39.3 -4.1 8.7 8.6 40 47 1 S H 3< S+ 0 0 73 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.717 99.7 56.3 -62.9 -23.2 -5.0 12.3 9.7 41 48 1 T T << S+ 0 0 86 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.485 89.3 100.3 -83.8 -9.1 -4.9 11.1 13.4 42 49 1 L < - 0 0 11 -3,-1.7 -28,-0.1 -4,-0.3 5,-0.0 -0.486 58.6-155.0 -90.5 153.4 -1.3 9.8 13.3 43 50 1 K + 0 0 122 -2,-0.2 -1,-0.1 3,-0.0 4,-0.0 0.544 58.3 124.0 -93.1 -12.1 2.0 11.4 14.5 44 51 1 V - 0 0 0 1,-0.1 -13,-0.1 -31,-0.1 -2,-0.1 -0.300 65.3-133.2 -53.3 125.1 3.9 9.2 12.0 45 52 1 P S S+ 0 0 75 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.776 90.3 49.3 -50.9 -40.6 6.0 11.7 9.8 46 53 1 N E -c 30 0A 55 -17,-0.8 -15,-2.4 2,-0.0 2,-0.5 -0.925 66.3-179.4-113.9 109.4 5.1 10.1 6.4 47 54 1 K E -c 31 0A 85 -2,-0.6 2,-0.5 -17,-0.2 -15,-0.2 -0.947 6.6-175.3-110.8 126.2 1.4 9.4 5.7 48 55 1 I E -c 32 0A 33 -17,-3.2 -15,-1.9 -2,-0.5 2,-0.3 -0.979 13.2-148.5-130.7 122.3 0.5 7.8 2.4 49 56 1 Q E -c 33 0A 45 -2,-0.5 2,-0.3 -17,-0.2 -15,-0.2 -0.662 14.9-177.2 -81.8 140.8 -3.0 7.1 0.9 50 57 1 I + 0 0 0 -17,-1.8 21,-0.2 -2,-0.3 7,-0.1 -0.948 60.8 32.1-125.5 158.4 -3.6 4.2 -1.4 51 58 1 G > + 0 0 1 19,-0.8 4,-2.8 -2,-0.3 6,-0.6 0.762 58.0 150.6 72.2 30.1 -6.9 3.3 -3.1 52 59 1 E H > S+ 0 0 112 3,-0.2 4,-2.1 1,-0.2 6,-0.1 0.918 75.5 49.4 -52.6 -44.9 -8.4 6.7 -3.7 53 60 1 K H 4 S+ 0 0 146 1,-0.2 -1,-0.2 2,-0.2 17,-0.1 0.944 119.8 31.4 -64.1 -51.2 -10.1 5.4 -6.8 54 61 1 V H 4 S+ 0 0 66 1,-0.2 -1,-0.2 12,-0.1 -2,-0.2 0.792 134.4 27.3 -83.7 -27.7 -11.8 2.3 -5.4 55 62 1 T H >< S- 0 0 12 -4,-2.8 3,-2.2 11,-0.1 -3,-0.2 0.564 85.0-137.9-111.1 -12.3 -12.3 3.5 -1.8 56 63 1 R T 3< S- 0 0 149 -4,-2.1 -4,-0.2 -5,-0.5 -3,-0.1 0.729 72.4 -65.3 56.4 22.7 -12.7 7.4 -2.1 57 64 1 G T 3 S+ 0 0 8 -6,-0.6 -21,-2.2 -7,-0.1 -20,-0.6 0.516 115.9 113.3 80.5 7.7 -10.5 7.6 1.0 58 65 1 L B < S-G 35 0B 151 -3,-2.2 3,-0.3 1,-0.3 -23,-0.2 0.266 80.8-104.5 -96.6 12.1 -13.2 5.9 3.1 59 66 1 G - 0 0 16 -25,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.201 34.5 -76.6 88.4 173.4 -11.3 2.6 3.8 60 67 1 A > - 0 0 8 -3,-0.1 3,-2.2 -2,-0.1 6,-0.3 0.290 51.7-123.5 -95.9 4.4 -11.6 -0.9 2.5 61 68 1 G T 3 - 0 0 71 1,-0.3 -2,-0.1 -3,-0.3 5,-0.0 0.791 67.6 -66.3 57.4 30.0 -14.7 -2.0 4.5 62 69 1 A T 3 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.616 102.1 135.7 65.7 18.5 -12.6 -4.9 5.9 63 70 1 K X> - 0 0 129 -3,-2.2 4,-1.8 1,-0.2 3,-0.9 -0.839 44.8-160.2-101.4 111.0 -12.4 -6.5 2.5 64 71 1 P H 3> S+ 0 0 34 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.824 91.9 61.7 -56.3 -30.9 -8.9 -7.8 1.6 65 72 1 E H 3> S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.891 105.4 48.0 -65.1 -34.8 -9.7 -7.8 -2.1 66 73 1 V H <> S+ 0 0 24 -3,-0.9 4,-2.6 -6,-0.3 -1,-0.2 0.914 109.6 50.8 -69.6 -43.1 -10.2 -4.0 -1.8 67 74 1 G H X S+ 0 0 0 -4,-1.8 4,-2.1 30,-0.3 -2,-0.2 0.910 111.8 50.1 -58.1 -40.8 -6.9 -3.6 0.1 68 75 1 E H X S+ 0 0 49 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.942 111.6 46.3 -62.5 -48.8 -5.2 -5.6 -2.7 69 76 1 E H X S+ 0 0 77 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.888 109.6 55.4 -62.7 -38.8 -6.7 -3.5 -5.4 70 77 1 A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -19,-0.8 0.935 111.2 43.9 -58.7 -47.2 -5.8 -0.3 -3.6 71 78 1 A H < S+ 0 0 0 -4,-2.1 7,-0.2 2,-0.2 -1,-0.2 0.876 113.7 50.3 -69.0 -37.5 -2.2 -1.3 -3.4 72 79 1 L H >< S+ 0 0 83 -4,-2.3 3,-1.3 1,-0.2 4,-0.2 0.921 110.0 49.6 -67.6 -42.6 -2.1 -2.5 -7.1 73 80 1 E H 3< S+ 0 0 120 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.879 121.1 35.8 -63.7 -35.4 -3.6 0.7 -8.4 74 81 1 D T >X S+ 0 0 31 -4,-1.6 4,-1.5 -5,-0.2 3,-1.1 0.010 75.7 125.9-108.0 26.6 -1.2 2.8 -6.5 75 82 1 I H <> S+ 0 0 50 -3,-1.3 4,-2.7 1,-0.3 -1,-0.2 0.809 70.1 63.4 -58.0 -28.3 1.8 0.5 -6.8 76 83 1 D H 3> S+ 0 0 105 -3,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.879 101.4 49.5 -61.1 -40.5 3.8 3.5 -8.2 77 84 1 K H <> S+ 0 0 75 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.887 111.5 49.4 -62.6 -40.1 3.4 5.3 -4.8 78 85 1 I H X S+ 0 0 1 -4,-1.5 4,-1.5 -7,-0.2 -2,-0.2 0.943 109.6 50.3 -68.1 -47.2 4.6 2.2 -3.0 79 86 1 K H X S+ 0 0 113 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.889 107.8 56.4 -57.0 -41.4 7.7 1.9 -5.4 80 87 1 E H >< S+ 0 0 101 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.922 107.9 44.8 -55.7 -49.8 8.5 5.6 -4.8 81 88 1 I H 3< S+ 0 0 13 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.777 111.0 56.1 -69.6 -24.4 8.7 5.2 -1.0 82 89 1 L H 3< S+ 0 0 1 -4,-1.5 3,-0.4 -3,-0.2 -1,-0.2 0.546 78.8 114.2 -83.9 -13.2 10.8 2.0 -1.3 83 90 1 R S << S+ 0 0 118 -3,-0.9 -3,-0.0 -4,-0.8 27,-0.0 -0.292 79.8 18.1 -56.1 144.6 13.5 3.6 -3.5 84 91 1 D S S+ 0 0 131 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.932 94.4 138.8 60.8 52.6 16.9 3.7 -1.7 85 92 1 T - 0 0 18 -3,-0.4 -1,-0.2 28,-0.1 -82,-0.2 -0.994 38.3-177.1-135.6 130.2 16.1 1.1 0.9 86 93 1 D S S+ 0 0 59 -84,-2.6 30,-2.6 -2,-0.4 2,-0.3 0.795 79.5 10.3 -88.6 -40.4 18.1 -1.8 2.4 87 94 1 M E -ad 3 116A 0 -85,-1.9 -83,-2.3 28,-0.2 2,-0.4 -0.999 61.6-167.9-144.7 141.6 15.5 -3.3 4.7 88 95 1 V E -ad 4 117A 0 28,-2.6 30,-2.8 -2,-0.3 2,-0.5 -0.997 10.8-153.3-131.3 137.7 11.8 -2.7 5.2 89 96 1 F E -ad 5 118A 0 -85,-2.2 -83,-3.2 -2,-0.4 2,-0.7 -0.934 11.7-156.9-100.6 129.5 9.5 -3.9 8.0 90 97 1 I E -ad 6 119A 2 28,-2.6 30,-3.0 -2,-0.5 2,-0.6 -0.929 11.6-164.6-112.3 103.6 5.9 -4.2 6.8 91 98 1 S E +ad 7 120A 0 -85,-2.8 -83,-3.1 -2,-0.7 2,-0.3 -0.823 18.9 157.2 -95.5 121.8 3.7 -4.0 9.8 92 99 1 A E -ad 8 121A 4 28,-2.2 30,-1.9 -2,-0.6 2,-0.8 -1.000 41.8-135.9-144.6 144.9 0.1 -5.1 9.5 93 100 1 G E > - d 0 122A 23 -85,-0.6 3,-0.8 -2,-0.3 7,-0.4 -0.880 36.4-141.9 -91.9 105.6 -2.8 -6.3 11.7 94 101 1 L T 3 S+ 0 0 7 28,-2.0 42,-0.2 -2,-0.8 3,-0.1 -0.436 75.7 56.7 -73.7 145.2 -4.1 -9.3 9.7 95 102 1 G T 3 S+ 0 0 0 1,-0.4 -1,-0.2 40,-0.2 40,-0.2 0.254 89.2 81.1 118.7 -11.6 -7.9 -9.8 9.6 96 103 1 G S < S- 0 0 20 -3,-0.8 -1,-0.4 39,-0.1 -29,-0.1 -0.150 86.3-102.9-100.9-156.5 -9.0 -6.4 8.3 97 104 1 G S > S+ 0 0 5 -34,-0.2 4,-2.1 3,-0.1 -30,-0.3 0.877 106.6 40.1 -98.3 -50.3 -9.1 -5.2 4.7 98 105 1 T H >>S+ 0 0 12 2,-0.2 4,-2.8 3,-0.2 5,-0.5 0.943 120.9 40.0 -72.2 -52.0 -6.2 -2.9 4.1 99 106 1 G H >5S+ 0 0 4 -6,-0.2 4,-2.2 3,-0.2 -5,-0.2 0.983 120.1 45.4 -59.2 -54.4 -3.5 -4.7 6.0 100 107 1 T H 45S+ 0 0 5 -7,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.901 123.7 34.2 -57.5 -44.1 -4.6 -8.1 4.9 101 108 1 G H X5S+ 0 0 5 -4,-2.1 4,-0.5 1,-0.1 -1,-0.2 0.872 124.8 36.3 -83.3 -42.7 -5.0 -7.1 1.2 102 109 1 A H X5S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 5,-0.3 0.781 99.5 73.9 -86.2 -29.6 -2.2 -4.5 0.7 103 110 1 A H X S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.878 112.3 49.7 -59.1 -38.0 1.4 -8.9 0.3 105 112 1 V H X S+ 0 0 18 -4,-0.5 4,-2.3 -3,-0.2 -2,-0.2 0.929 113.5 44.0 -66.2 -46.7 1.5 -6.3 -2.5 106 113 1 I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.938 114.8 50.0 -64.3 -47.2 3.8 -4.0 -0.7 107 114 1 A H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.929 111.2 48.4 -57.9 -45.4 6.0 -6.9 0.5 108 115 1 K H X S+ 0 0 120 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.913 110.0 52.2 -63.0 -43.1 6.2 -8.3 -3.1 109 116 1 T H X S+ 0 0 11 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.943 113.2 44.4 -55.9 -50.2 7.1 -4.9 -4.5 110 117 1 A H ><>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 3,-0.8 0.912 112.1 51.0 -63.4 -45.5 9.9 -4.5 -1.9 111 118 1 K H ><5S+ 0 0 52 -4,-2.8 3,-2.0 35,-0.4 -1,-0.2 0.912 107.2 53.5 -65.3 -39.3 11.3 -8.0 -2.3 112 119 1 E H 3<5S+ 0 0 146 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.707 104.4 56.8 -65.9 -19.1 11.5 -7.7 -6.1 113 120 1 M T <<5S- 0 0 83 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.336 122.2-112.1 -90.0 6.0 13.5 -4.5 -5.5 114 121 1 G T < 5 + 0 0 45 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.518 67.5 148.0 75.9 9.0 16.0 -6.7 -3.5 115 122 1 I < - 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