==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE 07-SEP-07 2R75 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN FTSZ; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR T.LAPPCHEN,V.A.PINAS,A.F.HARTOG,G.J.KOOMEN,C.SCHAFFNER- . 323 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 77.4 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 . 30 9.3 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 . 1 0.3 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 . 22 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 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 1 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 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 65 0, 0.0 2,-0.8 0, 0.0 84,-0.0 0.000 360.0 360.0 360.0 132.7 21.9 1.3 6.4 2 9 1 K + 0 0 113 25,-0.1 84,-2.7 2,-0.0 85,-1.9 -0.845 360.0 174.2-100.7 109.2 18.6 2.5 5.1 3 10 1 I E -a 87 0A 4 -2,-0.8 25,-2.2 23,-0.4 2,-0.4 -0.920 7.6-171.8-115.5 134.2 15.7 0.9 7.1 4 11 1 K E -ab 88 28A 10 83,-2.4 85,-2.2 -2,-0.4 2,-0.5 -0.953 11.5-155.0-121.4 143.7 12.0 1.8 6.6 5 12 1 V E -ab 89 29A 0 23,-2.3 25,-2.7 -2,-0.4 2,-0.5 -0.997 12.9-168.7-118.0 124.5 9.0 0.7 8.7 6 13 1 I E -ab 90 30A 0 83,-3.1 85,-2.4 -2,-0.5 2,-0.4 -0.969 7.4-157.6-119.0 115.0 5.7 0.8 6.8 7 14 1 G E -ab 91 31A 0 23,-2.9 25,-2.9 -2,-0.5 2,-0.5 -0.731 11.6-158.9 -87.7 134.2 2.4 0.4 8.7 8 15 1 V E > -ab 92 32A 1 83,-2.7 4,-0.6 -2,-0.4 85,-0.5 -0.975 53.7 -12.4-124.0 121.2 -0.4 -0.8 6.5 9 16 1 G H > S- 0 0 2 23,-2.7 4,-2.1 -2,-0.5 5,-0.2 -0.216 102.4 -52.7 77.7-176.5 -4.0 -0.3 7.5 10 17 1 G H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.944 133.5 39.0 -66.4 -55.4 -5.3 0.9 10.9 11 18 1 G H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.932 117.5 49.3 -64.5 -42.8 -3.7 -1.6 13.3 12 19 1 G H X S+ 0 0 1 -4,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.878 111.9 49.6 -59.1 -44.1 -0.4 -1.7 11.4 13 20 1 S H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.863 107.3 55.0 -62.6 -42.9 -0.3 2.1 11.4 14 21 1 N H X S+ 0 0 57 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.865 106.3 51.7 -61.1 -37.3 -1.0 2.2 15.1 15 22 1 A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.903 110.7 47.3 -65.4 -40.1 2.0 -0.0 15.8 16 23 1 V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.902 108.3 55.8 -69.0 -35.3 4.3 2.2 13.8 17 24 1 N H X S+ 0 0 20 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.906 107.6 49.8 -60.1 -38.9 2.8 5.2 15.6 18 25 1 R H X S+ 0 0 50 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.901 106.6 54.7 -68.6 -37.9 3.9 3.5 18.9 19 26 1 M H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 -2,-0.2 0.921 109.2 48.2 -60.1 -40.4 7.4 2.9 17.5 20 27 1 Y H ><5S+ 0 0 105 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.943 112.7 47.8 -62.7 -50.6 7.6 6.7 16.8 21 28 1 E H 3<5S+ 0 0 92 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.853 106.1 58.3 -62.1 -34.9 6.4 7.5 20.3 22 29 1 D T 3<5S- 0 0 54 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.467 121.8-107.6 -74.0 -2.3 8.8 5.1 21.9 23 30 1 G T < 5 - 0 0 37 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.762 44.3-174.6 86.6 28.7 11.7 7.0 20.2 24 31 1 I < - 0 0 18 -5,-2.2 2,-0.3 1,-0.0 -1,-0.2 -0.334 14.7-159.2 -55.9 133.6 12.8 4.7 17.4 25 32 1 E + 0 0 131 1,-0.1 166,-0.2 159,-0.1 3,-0.1 -0.870 55.8 21.8-120.6 153.2 15.9 6.2 15.9 26 33 1 G S S+ 0 0 49 -2,-0.3 -23,-0.4 1,-0.2 2,-0.3 0.629 98.0 96.7 73.5 19.1 17.7 6.0 12.6 27 34 1 V - 0 0 24 -3,-0.2 2,-0.5 -25,-0.1 -23,-0.2 -0.952 69.9-125.7-136.1 149.1 14.8 4.6 10.6 28 35 1 E E -b 4 0A 88 -25,-2.2 -23,-2.3 -2,-0.3 2,-0.4 -0.879 27.5-151.0-100.8 133.2 12.2 6.3 8.4 29 36 1 L E -b 5 0A 7 -2,-0.5 17,-0.9 -25,-0.2 2,-0.3 -0.868 14.9-179.6-111.1 140.1 8.6 5.6 9.3 30 37 1 Y E -bc 6 46A 19 -25,-2.7 -23,-2.9 -2,-0.4 2,-0.4 -0.976 15.9-157.4-137.2 148.2 5.5 5.4 7.1 31 38 1 A E -bc 7 47A 0 15,-2.4 17,-2.9 -2,-0.3 2,-0.4 -0.997 13.4-171.1-125.4 124.5 1.8 4.8 7.5 32 39 1 I E +bc 8 48A 0 -25,-2.9 -23,-2.7 -2,-0.4 2,-0.3 -0.969 17.6 152.2-115.8 129.6 -0.2 3.6 4.5 33 40 1 N E - c 0 49A 5 15,-1.9 17,-1.7 -2,-0.4 -2,-0.0 -0.990 49.1-144.2-153.0 158.8 -4.0 3.4 4.6 34 41 1 T S S+ 0 0 0 -2,-0.3 25,-1.5 15,-0.2 2,-0.8 0.486 91.7 79.4 -91.9 -11.0 -7.1 3.6 2.5 35 42 1 D B > -G 58 0B 55 23,-0.3 4,-1.7 1,-0.2 23,-0.2 -0.848 61.0-173.5-103.0 100.9 -8.9 5.4 5.4 36 43 1 V H > S+ 0 0 62 21,-2.0 4,-1.7 -2,-0.8 -1,-0.2 0.837 80.4 60.3 -69.5 -33.4 -7.8 9.0 5.3 37 44 1 Q H > S+ 0 0 137 20,-0.6 4,-0.6 1,-0.2 -1,-0.2 0.947 106.1 48.3 -58.7 -47.0 -9.5 10.0 8.6 38 45 1 H H >4 S+ 0 0 36 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.908 107.9 54.3 -62.1 -41.0 -7.3 7.5 10.4 39 46 1 L H >< S+ 0 0 12 -4,-1.7 3,-1.7 1,-0.3 -1,-0.2 0.891 100.8 60.5 -56.6 -39.7 -4.2 8.7 8.8 40 47 1 S H 3< S+ 0 0 71 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.697 99.2 58.0 -64.0 -21.2 -4.9 12.2 9.9 41 48 1 T T << S+ 0 0 84 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.488 89.0 97.1 -83.0 -11.6 -4.9 11.1 13.6 42 49 1 L < - 0 0 10 -3,-1.7 -28,-0.1 -4,-0.4 5,-0.0 -0.485 59.9-154.2 -88.1 155.5 -1.3 9.7 13.5 43 50 1 K + 0 0 125 -2,-0.2 -1,-0.1 3,-0.0 4,-0.0 0.519 57.8 124.8 -95.2 -10.4 2.0 11.3 14.6 44 51 1 V - 0 0 1 1,-0.1 -13,-0.1 -31,-0.1 -27,-0.1 -0.296 65.2-132.4 -51.2 129.6 3.9 9.0 12.1 45 52 1 P S S+ 0 0 75 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.790 89.0 50.1 -62.2 -35.4 5.9 11.5 10.0 46 53 1 N E -c 30 0A 59 -17,-0.9 -15,-2.4 2,-0.0 2,-0.5 -0.915 66.7-178.6-112.0 117.0 5.1 10.1 6.6 47 54 1 K E -c 31 0A 85 -2,-0.6 2,-0.4 -17,-0.2 -15,-0.2 -0.947 5.1-178.1-119.2 123.6 1.4 9.5 5.8 48 55 1 I E -c 32 0A 39 -17,-2.9 -15,-1.9 -2,-0.5 2,-0.3 -0.986 14.9-147.2-131.2 125.6 0.4 8.0 2.4 49 56 1 Q E -c 33 0A 49 -2,-0.4 2,-0.3 -17,-0.2 -15,-0.2 -0.678 15.0-176.0 -84.8 142.0 -3.1 7.2 1.0 50 57 1 I + 0 0 0 -17,-1.7 21,-0.2 -2,-0.3 7,-0.1 -0.932 61.1 32.2-125.6 155.2 -3.7 4.3 -1.3 51 58 1 G >> + 0 0 0 19,-0.9 4,-2.9 -2,-0.3 5,-0.7 0.726 56.6 151.6 79.9 23.0 -6.9 3.4 -3.0 52 59 1 E H >5S+ 0 0 116 1,-0.2 4,-1.9 3,-0.2 6,-0.1 0.927 77.7 46.6 -50.8 -46.0 -8.5 6.8 -3.6 53 60 1 K H 45S+ 0 0 162 1,-0.2 -1,-0.2 2,-0.2 17,-0.1 0.943 120.3 34.6 -66.1 -45.1 -10.4 5.4 -6.7 54 61 1 V H 45S+ 0 0 57 1,-0.2 -1,-0.2 12,-0.1 -2,-0.2 0.776 134.4 23.4 -86.4 -24.9 -11.7 2.2 -5.3 55 62 1 T H ><5S- 0 0 10 -4,-2.9 3,-1.9 11,-0.1 -3,-0.2 0.536 85.0-137.5-115.4 -14.9 -12.3 3.3 -1.7 56 63 1 R T 3< - 0 0 9 -3,-0.1 3,-1.9 -2,-0.1 6,-0.3 0.283 52.0-123.3-100.6 4.1 -11.7 -1.1 2.4 61 68 1 G T 3 - 0 0 68 1,-0.3 -2,-0.1 -3,-0.3 5,-0.0 0.790 67.1 -63.5 63.1 29.5 -14.8 -2.4 4.3 62 69 1 A T 3 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.611 104.0 130.7 70.1 18.2 -13.0 -5.4 5.7 63 70 1 K X> - 0 0 125 -3,-1.9 4,-1.7 1,-0.2 3,-1.1 -0.853 44.8-162.8-108.1 106.2 -12.5 -6.8 2.1 64 71 1 P H 3> S+ 0 0 36 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.826 90.3 62.6 -53.7 -34.0 -8.9 -7.9 1.4 65 72 1 E H 3> S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.862 103.8 48.4 -62.7 -36.0 -9.6 -7.9 -2.3 66 73 1 V H <> S+ 0 0 21 -3,-1.1 4,-2.6 -6,-0.3 -1,-0.2 0.893 110.2 51.6 -71.4 -37.0 -10.3 -4.1 -2.1 67 74 1 G H X S+ 0 0 0 -4,-1.7 4,-1.9 30,-0.2 -2,-0.2 0.903 110.4 49.3 -60.4 -43.5 -7.0 -3.6 -0.1 68 75 1 E H X S+ 0 0 46 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.933 111.7 48.3 -60.3 -49.4 -5.1 -5.5 -2.8 69 76 1 E H X S+ 0 0 68 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.898 108.1 55.2 -60.3 -38.6 -6.7 -3.4 -5.5 70 77 1 A H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -19,-0.9 0.908 110.4 45.4 -59.4 -46.7 -5.9 -0.2 -3.6 71 78 1 A H < S+ 0 0 0 -4,-1.9 7,-0.2 2,-0.2 -1,-0.2 0.874 113.3 49.3 -63.6 -43.1 -2.2 -1.2 -3.5 72 79 1 L H >< S+ 0 0 87 -4,-2.2 3,-1.4 1,-0.2 4,-0.2 0.902 108.9 53.0 -63.5 -42.2 -2.1 -2.2 -7.2 73 80 1 E H 3< S+ 0 0 64 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.874 120.1 34.4 -58.0 -38.1 -3.8 1.1 -8.3 74 81 1 D T >X S+ 0 0 23 -4,-1.5 4,-1.7 -5,-0.2 3,-0.8 -0.049 75.0 128.0-111.5 31.8 -1.2 3.0 -6.4 75 82 1 I H <> S+ 0 0 54 -3,-1.4 4,-2.6 1,-0.3 -1,-0.2 0.818 71.9 61.5 -61.9 -26.6 1.8 0.7 -6.9 76 83 1 D H 3> S+ 0 0 104 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.879 102.3 49.9 -65.0 -39.7 3.8 3.8 -8.2 77 84 1 K H <> S+ 0 0 78 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.889 111.9 48.7 -62.8 -41.3 3.4 5.5 -4.8 78 85 1 I H X S+ 0 0 1 -4,-1.7 4,-1.7 -7,-0.2 -2,-0.2 0.921 109.2 51.2 -68.0 -44.8 4.6 2.4 -3.1 79 86 1 K H X S+ 0 0 114 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.885 107.7 55.0 -60.1 -37.7 7.6 2.1 -5.4 80 87 1 E H >< S+ 0 0 113 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.913 107.6 47.2 -63.7 -42.0 8.6 5.7 -4.7 81 88 1 I H 3< S+ 0 0 16 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 110.7 54.4 -68.2 -29.0 8.6 5.1 -0.9 82 89 1 L H 3< S+ 0 0 1 -4,-1.7 3,-0.5 -5,-0.1 -1,-0.2 0.565 80.3 115.4 -83.9 -10.5 10.7 2.0 -1.4 83 90 1 R S << S+ 0 0 134 -4,-0.8 -3,-0.0 -3,-0.7 27,-0.0 -0.340 80.1 14.6 -56.5 141.9 13.5 3.6 -3.4 84 91 1 D S S+ 0 0 112 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.931 94.9 138.9 62.2 51.4 16.9 3.7 -1.7 85 92 1 T - 0 0 17 -3,-0.5 -1,-0.2 1,-0.1 -82,-0.2 -0.992 38.4-176.4-132.9 134.7 16.1 1.1 1.0 86 93 1 D S S+ 0 0 62 -84,-2.7 30,-2.4 -2,-0.4 2,-0.3 0.793 79.2 11.1 -89.0 -42.0 18.1 -1.8 2.4 87 94 1 M E -ad 3 116A 0 -85,-1.9 -83,-2.4 28,-0.2 2,-0.4 -0.999 62.0-168.3-142.7 140.3 15.5 -3.3 4.7 88 95 1 V E -ad 4 117A 0 28,-2.5 30,-2.8 -2,-0.3 2,-0.5 -0.995 10.2-154.3-130.3 139.0 11.8 -2.7 5.2 89 96 1 F E -ad 5 118A 0 -85,-2.2 -83,-3.1 -2,-0.4 2,-0.7 -0.951 11.6-157.0-102.2 129.1 9.4 -3.9 8.0 90 97 1 I E -ad 6 119A 2 28,-2.6 30,-2.8 -2,-0.5 2,-0.5 -0.929 10.3-164.2-111.7 104.7 5.8 -4.2 6.8 91 98 1 S E +ad 7 120A 1 -85,-2.4 -83,-2.7 -2,-0.7 2,-0.3 -0.814 18.2 160.4 -97.9 123.5 3.6 -4.0 9.9 92 99 1 A E -ad 8 121A 4 28,-2.1 30,-1.9 -2,-0.5 2,-0.7 -0.998 39.4-139.3-143.4 139.1 -0.0 -5.2 9.4 93 100 1 G E > - d 0 122A 22 -85,-0.5 3,-0.7 -2,-0.3 7,-0.3 -0.864 37.1-140.4 -88.0 110.4 -2.9 -6.3 11.7 94 101 1 L T 3 S+ 0 0 7 28,-2.1 42,-0.2 -2,-0.7 3,-0.1 -0.503 74.5 59.2 -79.3 144.3 -4.3 -9.2 9.7 95 102 1 G T 3 S+ 0 0 0 1,-0.5 -1,-0.2 40,-0.2 40,-0.1 0.132 86.7 80.3 126.6 -18.2 -8.0 -9.7 9.5 96 103 1 G S < S- 0 0 22 -3,-0.7 -1,-0.5 39,-0.1 4,-0.2 -0.261 86.5-103.3 -99.7-168.0 -9.2 -6.3 7.9 97 104 1 G S > S+ 0 0 5 3,-0.1 4,-1.7 -34,-0.1 5,-0.3 0.873 107.1 42.8 -86.9 -42.0 -9.2 -5.3 4.3 98 105 1 T H >>S+ 0 0 11 3,-0.2 4,-2.9 2,-0.2 5,-0.6 0.974 118.5 38.2 -79.9 -55.5 -6.3 -2.9 3.9 99 106 1 G H >5S+ 0 0 5 -6,-0.2 4,-1.9 1,-0.2 -5,-0.2 0.973 122.3 45.6 -55.7 -50.7 -3.5 -4.6 5.9 100 107 1 T H 45S+ 0 0 4 -7,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.901 123.3 33.2 -62.2 -43.5 -4.5 -8.1 4.8 101 108 1 G H <5S+ 0 0 4 -4,-1.7 4,-0.5 -5,-0.1 -1,-0.2 0.847 124.2 38.8 -82.5 -41.3 -4.9 -7.1 1.1 102 109 1 A H X5S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 3,-0.5 0.816 99.1 72.5 -83.5 -28.6 -2.3 -4.5 0.6 103 110 1 A H X S+ 0 0 10 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.864 110.2 50.1 -63.0 -34.1 1.4 -8.7 0.2 105 112 1 V H > S+ 0 0 16 -4,-0.5 4,-2.0 -3,-0.5 -2,-0.2 0.932 113.5 45.4 -70.7 -40.4 1.5 -6.2 -2.7 106 113 1 I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.936 113.8 50.1 -65.6 -43.4 3.9 -3.9 -0.8 107 114 1 A H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.928 110.9 48.0 -60.4 -47.2 6.0 -6.9 0.3 108 115 1 K H X S+ 0 0 125 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.888 111.1 51.8 -62.4 -40.3 6.3 -8.3 -3.3 109 116 1 T H X S+ 0 0 13 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.937 112.6 45.3 -65.4 -42.8 7.2 -4.9 -4.6 110 117 1 A H ><>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-0.6 0.915 112.3 50.3 -62.7 -45.5 10.0 -4.5 -2.0 111 118 1 K H ><5S+ 0 0 54 -4,-2.6 3,-1.9 35,-0.3 -1,-0.2 0.901 106.5 54.7 -67.1 -36.5 11.4 -8.0 -2.5 112 119 1 E H 3<5S+ 0 0 148 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.752 104.2 56.5 -66.0 -22.3 11.5 -7.6 -6.2 113 120 1 M T <<5S- 0 0 84 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.393 122.3-109.6 -85.8 5.1 13.6 -4.4 -5.6 114 121 1 G T < 5 + 0 0 46 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.511 69.0 147.4 79.4 5.2 16.1 -6.5 -3.6 115 122 1 I < - 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