==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE/INHIBITOR 20-JAN-12 3VOB . COMPND 2 MOLECULE: CELL DIVISION PROTEIN FTSZ; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.YAMANE,T.MATSUI,N.MOGI,H.YAMAGUCHI,H.TAKEMOTO,M.YAO,I.TANA . 304 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 80.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.9 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 . 23 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 1 0 0 2 0 2 0 0 0 2 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 0 3 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 . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 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 12 A A 0 0 66 0, 0.0 2,-0.5 0, 0.0 84,-0.1 0.000 360.0 360.0 360.0 118.2 -3.0 12.5 8.2 2 13 A T - 0 0 60 82,-0.3 85,-2.5 25,-0.0 84,-2.5 -0.766 360.0-169.8 -92.7 123.0 -6.5 11.0 7.9 3 14 A L E -ab 27 87A 3 -2,-0.5 25,-1.8 23,-0.5 2,-0.4 -0.946 3.5-175.6-109.2 129.1 -7.6 8.5 10.4 4 15 A K E -ab 28 88A 14 83,-1.9 85,-2.7 -2,-0.5 2,-0.5 -0.960 14.1-148.5-118.0 143.7 -10.8 6.5 10.0 5 16 A V E -ab 29 89A 0 23,-2.5 25,-2.5 -2,-0.4 2,-0.5 -0.954 15.3-169.8-107.8 129.6 -12.4 4.1 12.5 6 17 A I E -ab 30 90A 1 83,-3.6 85,-2.6 -2,-0.5 2,-0.4 -0.941 8.5-160.8-125.4 112.2 -14.2 1.1 11.0 7 18 A G E -ab 31 91A 0 23,-1.5 25,-2.6 -2,-0.5 2,-0.5 -0.752 9.9-162.0 -86.7 134.8 -16.4 -1.2 13.1 8 19 A V E > -ab 32 92A 0 83,-2.4 85,-0.6 -2,-0.4 4,-0.5 -0.967 55.6 -1.4-125.4 117.7 -17.1 -4.6 11.4 9 20 A G H > S- 0 0 3 23,-2.4 4,-1.7 -2,-0.5 23,-0.2 -0.257 103.8 -57.1 87.3 175.9 -20.0 -6.7 12.6 10 21 A G H > S+ 0 0 36 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.888 133.0 44.7 -62.4 -49.5 -22.4 -6.0 15.5 11 22 A G H > S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.940 115.1 48.3 -60.3 -49.0 -19.9 -5.6 18.4 12 23 A G H X S+ 0 0 2 -4,-0.5 4,-1.5 1,-0.3 -1,-0.2 0.793 111.4 51.5 -61.7 -29.8 -17.6 -3.4 16.3 13 24 A N H X S+ 0 0 8 -4,-1.7 4,-1.3 2,-0.2 -1,-0.3 0.701 106.4 53.5 -81.8 -20.8 -20.5 -1.3 15.2 14 25 A N H X S+ 0 0 82 -4,-1.3 4,-2.1 -3,-0.5 -2,-0.2 0.801 107.3 52.5 -77.6 -30.4 -21.6 -0.9 18.8 15 26 A A H X S+ 0 0 10 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.872 107.9 50.9 -68.5 -38.6 -18.1 0.4 19.5 16 27 A V H X S+ 0 0 1 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.900 110.8 50.2 -65.1 -38.4 -18.4 2.9 16.7 17 28 A N H X S+ 0 0 25 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.941 113.1 42.7 -67.7 -46.7 -21.7 4.1 18.1 18 29 A R H X S+ 0 0 60 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.907 113.1 52.5 -69.0 -42.9 -20.5 4.6 21.7 19 30 A M H X S+ 0 0 1 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.902 111.5 48.4 -51.6 -47.2 -17.2 6.2 20.6 20 31 A I H >< S+ 0 0 32 -4,-1.9 3,-1.6 2,-0.2 4,-0.3 0.917 106.6 53.8 -61.9 -46.9 -19.3 8.6 18.4 21 32 A D H 3< S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.902 104.6 58.1 -55.9 -39.6 -21.7 9.5 21.2 22 33 A H H 3< S- 0 0 123 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.749 120.5-114.2 -58.8 -26.6 -18.6 10.4 23.2 23 34 A G << - 0 0 45 -3,-1.6 2,-0.5 -4,-0.6 -3,-0.1 0.795 36.3-170.0 85.8 98.9 -17.7 12.9 20.5 24 35 A M > - 0 0 20 -4,-0.3 3,-0.5 3,-0.1 -1,-0.1 -0.938 12.5-154.4-125.1 108.2 -14.6 12.1 18.5 25 36 A N T 3 + 0 0 138 -2,-0.5 3,-0.1 1,-0.2 -5,-0.0 -0.441 67.9 13.0 -86.9 154.1 -13.4 14.9 16.2 26 37 A N T 3 S+ 0 0 145 1,-0.2 -23,-0.5 -2,-0.1 2,-0.5 0.438 99.9 108.9 65.6 -0.0 -11.4 14.8 13.0 27 38 A V E < -a 3 0A 9 -3,-0.5 2,-0.4 -25,-0.1 -23,-0.2 -0.922 62.7-142.4-106.7 131.1 -11.9 11.1 12.8 28 39 A E E -a 4 0A 59 -25,-1.8 -23,-2.5 -2,-0.5 2,-0.3 -0.788 15.4-145.7 -92.9 133.8 -14.2 9.6 10.2 29 40 A F E -a 5 0A 4 -2,-0.4 17,-1.4 -25,-0.2 2,-0.4 -0.773 12.3-169.5-101.2 145.1 -16.4 6.6 11.2 30 41 A I E -ac 6 46A 1 -25,-2.5 -23,-1.5 -2,-0.3 2,-0.6 -0.980 7.1-157.3-133.7 121.1 -17.4 3.7 9.0 31 42 A A E -ac 7 47A 0 15,-2.3 17,-2.7 -2,-0.4 2,-0.5 -0.860 12.0-176.6 -99.1 122.8 -20.0 1.1 9.9 32 43 A I E +ac 8 48A 1 -25,-2.6 -23,-2.4 -2,-0.6 2,-0.3 -0.973 17.5 143.1-118.9 122.5 -19.8 -2.2 8.1 33 44 A N E - c 0 49A 5 15,-1.6 17,-2.5 -2,-0.5 -2,-0.0 -0.995 48.0-147.5-149.9 153.6 -22.3 -4.9 8.7 34 45 A T S S+ 0 0 0 -2,-0.3 2,-1.0 15,-0.2 23,-0.2 0.825 89.4 82.0 -77.6 -39.8 -24.2 -7.7 6.9 35 46 A D >> - 0 0 36 1,-0.2 4,-1.7 -3,-0.1 3,-0.6 -0.543 62.1-172.4 -72.5 100.3 -27.2 -7.1 9.3 36 47 A G H 3> S+ 0 0 15 21,-1.5 4,-2.1 -2,-1.0 -1,-0.2 0.776 77.8 68.5 -65.6 -28.9 -28.9 -4.1 7.7 37 48 A Q H 34 S+ 0 0 143 20,-0.7 4,-0.3 1,-0.2 -1,-0.2 0.910 108.4 35.7 -56.7 -44.5 -31.3 -3.7 10.7 38 49 A A H X4 S+ 0 0 32 -3,-0.6 3,-1.2 2,-0.2 4,-0.5 0.846 111.6 60.9 -75.7 -37.0 -28.4 -2.6 13.0 39 50 A L H >< S+ 0 0 9 -4,-1.7 3,-1.2 1,-0.3 -2,-0.2 0.865 100.3 55.5 -61.2 -35.8 -26.7 -0.7 10.2 40 51 A N T 3< S+ 0 0 129 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.696 105.6 53.7 -68.7 -20.0 -29.8 1.5 9.9 41 52 A L T < S+ 0 0 119 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.516 86.0 115.1 -92.5 -3.7 -29.4 2.2 13.6 42 53 A S < - 0 0 11 -3,-1.2 -28,-0.1 -4,-0.5 5,-0.1 -0.291 55.6-156.4 -66.7 147.4 -25.7 3.3 13.2 43 54 A K + 0 0 94 3,-0.1 2,-0.1 0, 0.0 -1,-0.1 0.287 59.2 122.2-101.3 4.2 -24.7 6.9 13.9 44 55 A A - 0 0 4 1,-0.1 -14,-0.1 -5,-0.1 3,-0.1 -0.468 61.3-144.8 -63.5 137.6 -21.8 6.3 11.7 45 56 A E S S+ 0 0 114 1,-0.2 2,-0.7 -16,-0.2 -1,-0.1 0.920 89.0 52.8 -72.5 -45.0 -21.8 8.8 8.8 46 57 A S E S-c 30 0A 28 -17,-1.4 -15,-2.3 35,-0.0 2,-0.5 -0.829 74.4-176.3 -98.0 110.7 -20.4 6.3 6.3 47 58 A K E -c 31 0A 92 -2,-0.7 2,-0.6 -17,-0.2 -15,-0.2 -0.903 8.5-174.8-115.9 115.8 -22.5 3.1 6.2 48 59 A I E -c 32 0A 16 -17,-2.7 -15,-1.6 -2,-0.5 2,-0.6 -0.920 11.6-154.9-112.0 120.1 -21.6 0.0 4.1 49 60 A Q E -c 33 0A 77 -2,-0.6 2,-0.3 -17,-0.2 3,-0.3 -0.804 19.0-159.1 -87.6 120.4 -24.0 -3.0 3.9 50 61 A I + 0 0 0 -17,-2.5 21,-0.2 -2,-0.6 7,-0.1 -0.807 60.3 11.5-107.1 144.3 -22.1 -6.1 3.0 51 62 A G >> + 0 0 0 19,-1.0 4,-4.0 -2,-0.3 5,-0.6 0.776 64.8 153.5 71.5 30.3 -23.3 -9.4 1.6 52 63 A E H >5S+ 0 0 96 -3,-0.3 4,-2.0 1,-0.2 6,-0.2 0.922 80.1 43.7 -53.9 -50.6 -26.8 -8.3 0.6 53 64 A K H 45S+ 0 0 164 1,-0.2 -1,-0.2 2,-0.2 17,-0.0 0.896 119.5 45.6 -56.4 -42.8 -26.9 -10.9 -2.1 54 65 A L H 45S+ 0 0 51 1,-0.1 -2,-0.2 16,-0.1 -1,-0.2 0.904 131.6 13.8 -72.8 -44.3 -25.4 -13.5 0.3 55 66 A T H ><5S- 0 0 15 -4,-4.0 3,-0.8 3,-0.1 -3,-0.2 0.584 89.3-130.6-112.7 -15.0 -27.5 -12.9 3.5 56 67 A R T 3< - 0 0 9 -25,-0.0 3,-2.0 4,-0.0 6,-0.3 0.282 45.3-127.2 -98.3 8.3 -23.9 -14.2 9.0 61 72 A G T 3 - 0 0 73 1,-0.3 35,-0.0 5,-0.1 -3,-0.0 0.760 66.5 -58.4 49.7 38.3 -25.4 -16.7 11.5 62 73 A A T 3 S+ 0 0 41 1,-0.2 -1,-0.3 2,-0.0 3,-0.1 0.386 107.9 122.1 79.8 -0.6 -22.1 -17.5 13.3 63 74 A N X> - 0 0 71 -3,-2.0 3,-1.9 1,-0.1 4,-1.1 -0.817 45.5-166.4-103.3 101.6 -20.5 -18.7 10.0 64 75 A P H 3> S+ 0 0 24 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.674 85.8 69.0 -63.7 -19.3 -17.3 -16.6 9.4 65 76 A E H 3> S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.802 99.1 50.9 -70.5 -28.5 -17.2 -18.0 5.8 66 77 A I H <> S+ 0 0 40 -3,-1.9 4,-2.7 -6,-0.3 -1,-0.2 0.939 111.9 44.5 -68.3 -51.9 -20.4 -15.9 5.2 67 78 A G H X S+ 0 0 0 -4,-1.1 4,-1.4 30,-1.0 -2,-0.2 0.863 113.8 51.6 -62.1 -37.5 -18.9 -12.7 6.5 68 79 A K H X S+ 0 0 88 -4,-2.5 4,-1.9 29,-0.3 3,-0.4 0.960 113.9 42.0 -62.8 -52.0 -15.6 -13.3 4.7 69 80 A K H X S+ 0 0 97 -4,-1.9 4,-3.4 1,-0.2 -2,-0.2 0.896 110.5 59.6 -57.9 -41.7 -17.4 -13.9 1.3 70 81 A A H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -19,-1.0 0.810 109.0 42.2 -59.4 -35.0 -19.7 -11.0 2.1 71 82 A A H < S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.4 7,-0.2 0.796 112.0 53.3 -85.4 -33.8 -16.9 -8.5 2.3 72 83 A E H >< S+ 0 0 81 -4,-1.9 3,-1.8 -5,-0.2 -2,-0.2 0.959 107.9 54.0 -59.4 -49.2 -15.1 -10.0 -0.7 73 84 A E H 3< S+ 0 0 72 -4,-3.4 3,-0.3 1,-0.3 -2,-0.2 0.871 114.7 37.8 -49.8 -48.6 -18.4 -9.4 -2.5 74 85 A S T 3X S+ 0 0 11 -4,-1.4 4,-1.6 1,-0.2 3,-0.5 -0.068 79.7 131.4 -96.0 31.5 -18.6 -5.7 -1.6 75 86 A R H <> S+ 0 0 68 -3,-1.8 4,-2.2 1,-0.3 3,-0.4 0.902 70.8 48.7 -52.0 -48.7 -14.8 -5.2 -2.0 76 87 A E H > S+ 0 0 132 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.861 107.4 56.4 -60.2 -34.9 -15.1 -2.2 -4.2 77 88 A Q H > S+ 0 0 93 -3,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.846 109.6 45.2 -68.4 -36.1 -17.6 -0.6 -1.8 78 89 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 -3,-0.4 -1,-0.2 0.857 108.0 57.9 -74.1 -40.4 -15.1 -0.9 1.1 79 90 A E H X S+ 0 0 49 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.903 107.3 48.1 -55.5 -44.7 -12.2 0.4 -1.0 80 91 A D H < S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.856 110.7 48.3 -65.7 -39.4 -14.1 3.6 -1.7 81 92 A A H < S+ 0 0 16 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.839 115.7 46.1 -73.0 -30.5 -15.1 4.3 1.9 82 93 A I H >< S+ 0 0 2 -4,-1.9 3,-1.2 -5,-0.1 -2,-0.2 0.837 87.9 118.9 -75.0 -34.7 -11.5 3.7 3.0 83 94 A Q T 3< S+ 0 0 130 -4,-1.9 3,-0.1 1,-0.2 -3,-0.1 0.108 70.4 26.3 -48.2 140.3 -10.0 5.8 0.2 84 95 A G T 3 S+ 0 0 60 1,-0.3 -82,-0.3 29,-0.2 -1,-0.2 0.330 90.0 137.8 90.1 -4.1 -7.9 8.8 1.2 85 96 A A < - 0 0 12 -3,-1.2 -1,-0.3 1,-0.1 -82,-0.2 -0.489 37.1-175.3 -83.8 141.2 -7.0 7.3 4.5 86 97 A D S S+ 0 0 70 -84,-2.5 30,-3.1 1,-0.4 2,-0.4 0.767 81.2 13.4 -95.9 -33.9 -3.5 7.4 6.0 87 98 A M E -bd 3 116A 0 -85,-2.5 -83,-1.9 28,-0.3 2,-0.4 -0.992 68.7-166.3-145.5 130.3 -4.4 5.2 9.0 88 99 A V E -bd 4 117A 0 28,-2.5 30,-2.7 -2,-0.4 2,-0.6 -0.948 10.5-152.5-122.8 145.3 -7.3 3.0 9.7 89 100 A F E -bd 5 118A 0 -85,-2.7 -83,-3.6 -2,-0.4 2,-0.6 -0.958 11.3-163.8-110.9 115.3 -8.6 1.4 12.8 90 101 A V E -bd 6 119A 0 28,-2.9 30,-2.0 -2,-0.6 2,-0.4 -0.901 10.7-174.8-102.3 119.1 -10.6 -1.8 12.3 91 102 A T E +bd 7 120A 13 -85,-2.6 -83,-2.4 -2,-0.6 2,-0.3 -0.930 14.0 146.0-121.0 132.8 -12.6 -2.8 15.3 92 103 A S E -bd 8 121A 4 28,-1.5 30,-1.6 -2,-0.4 2,-0.7 -0.997 46.6-111.6-162.0 155.9 -14.6 -6.0 15.7 93 104 A G E > - d 0 122A 24 -85,-0.6 3,-0.7 -2,-0.3 7,-0.4 -0.875 36.4-139.7 -99.6 111.5 -15.8 -8.8 17.9 94 105 A M T 3 S+ 0 0 6 28,-1.8 42,-0.2 -2,-0.7 43,-0.1 -0.427 77.0 50.1 -73.0 137.2 -14.2 -12.1 17.1 95 106 A G T 3 S+ 0 0 0 1,-0.4 -1,-0.2 40,-0.2 41,-0.2 0.346 85.9 94.4 120.6 -4.8 -16.3 -15.2 17.2 96 107 A G S < S- 0 0 15 -3,-0.7 -1,-0.4 39,-0.1 4,-0.3 -0.365 84.5-102.9-103.1-172.4 -19.4 -14.3 15.1 97 108 A G S S+ 0 0 6 -2,-0.1 -30,-1.0 3,-0.1 4,-0.3 0.831 112.5 37.5 -80.3 -30.9 -20.2 -14.8 11.4 98 109 A T S >>S+ 0 0 13 3,-0.2 4,-3.2 2,-0.1 5,-0.6 0.950 118.4 37.8 -92.8 -56.2 -19.4 -11.2 10.3 99 110 A G H >5S+ 0 0 4 -6,-0.3 4,-1.4 1,-0.2 -5,-0.2 0.940 114.7 53.8 -61.8 -48.2 -16.4 -9.8 12.2 100 111 A T H 45S+ 0 0 9 -7,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.794 123.8 28.2 -60.3 -28.0 -14.5 -13.1 12.3 101 112 A G H >5S+ 0 0 6 -4,-0.3 4,-0.7 -3,-0.2 -2,-0.2 0.893 127.7 34.9 -97.1 -52.2 -14.8 -13.3 8.5 102 113 A A H X5S+ 0 0 0 -4,-3.2 4,-3.2 -5,-0.2 3,-0.3 0.842 104.4 67.4 -79.9 -37.3 -15.1 -9.8 7.1 103 114 A A H X S+ 0 0 13 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.849 112.7 49.5 -65.9 -30.0 -9.7 -9.5 8.3 105 116 A V H X S+ 0 0 8 -4,-0.7 4,-2.3 -3,-0.3 -2,-0.2 0.947 111.6 49.1 -65.1 -49.0 -10.7 -8.9 4.7 106 117 A V H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.880 112.0 48.2 -57.6 -39.4 -11.4 -5.2 5.6 107 118 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.860 108.7 54.9 -71.0 -35.4 -8.0 -5.0 7.2 108 119 A K H X S+ 0 0 70 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.951 108.2 48.1 -58.4 -52.4 -6.4 -6.5 4.2 109 120 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.897 107.7 55.4 -54.2 -48.2 -7.8 -4.0 1.9 110 121 A A H <>S+ 0 0 0 -4,-1.8 5,-2.0 1,-0.2 -1,-0.2 0.907 109.1 46.8 -55.8 -46.6 -6.8 -1.1 4.1 111 122 A K H ><5S+ 0 0 55 -4,-1.7 3,-2.3 35,-0.3 -1,-0.2 0.918 109.2 54.0 -61.0 -47.0 -3.2 -2.2 4.1 112 123 A E H 3<5S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.814 102.2 59.7 -58.5 -30.2 -3.3 -2.7 0.3 113 124 A M T 3<5S- 0 0 67 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.372 123.5-108.2 -78.4 3.0 -4.5 0.9 0.0 114 125 A G T < 5S+ 0 0 65 -3,-2.3 2,-0.2 1,-0.3 -3,-0.2 0.518 73.0 141.8 82.7 5.9 -1.3 2.0 1.8 115 126 A A < - 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