==== 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, SIGNALING PROTEIN 25-MAY-07 2Q1Y . COMPND 2 MOLECULE: CELL DIVISION PROTEIN FTSZ; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.J.TRUGLIO . 598 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 6.9 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 . 1 0.2 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 . 38 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 4 0 4 0 1 2 2 2 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 5 2 1 2 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 1 0 0 0 0 2 0 2 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 0 1 0 1 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 A L 0 0 211 0, 0.0 2,-0.2 0, 0.0 191,-0.0 0.000 360.0 360.0 360.0 99.0 -14.8 47.6 -10.2 2 9 A A - 0 0 19 189,-0.1 2,-0.6 1,-0.1 84,-0.1 -0.462 360.0-138.6 -76.2 134.8 -13.7 46.2 -6.9 3 10 A V - 0 0 45 82,-0.2 84,-2.8 -2,-0.2 85,-2.1 -0.858 24.1-170.1 -93.8 119.1 -11.2 48.0 -4.7 4 11 A I E -a 88 0A 4 -2,-0.6 25,-2.4 23,-0.5 2,-0.4 -0.935 7.1-173.0-116.2 129.4 -8.7 45.6 -3.2 5 12 A K E -ab 89 29A 16 83,-2.5 85,-2.8 -2,-0.5 2,-0.5 -0.976 8.4-158.0-123.8 135.4 -6.1 46.4 -0.5 6 13 A V E -ab 90 30A 0 23,-3.1 25,-2.7 -2,-0.4 2,-0.5 -0.962 9.4-161.9-117.2 114.4 -3.4 44.1 0.7 7 14 A V E -ab 91 31A 1 83,-3.5 85,-3.4 -2,-0.5 2,-0.5 -0.844 5.1-165.5 -98.1 130.3 -1.9 44.8 4.2 8 15 A G E -ab 92 32A 0 23,-2.5 25,-2.4 -2,-0.5 2,-0.4 -0.977 12.5-170.4-108.7 124.5 1.4 43.4 5.3 9 16 A I E > + b 0 33A 1 83,-2.6 4,-0.6 -2,-0.5 85,-0.4 -0.977 50.1 9.3-126.9 128.9 1.9 43.7 9.0 10 17 A G H > S- 0 0 5 23,-2.0 4,-2.5 -2,-0.4 5,-0.2 -0.178 103.0 -66.6 87.0 169.8 5.2 43.0 10.8 11 18 A G H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.876 134.5 50.4 -62.0 -40.9 8.5 42.4 9.1 12 19 A G H > S+ 0 0 37 2,-0.2 4,-2.5 82,-0.2 -1,-0.2 0.950 113.8 44.0 -62.6 -51.2 7.4 39.1 7.5 13 20 A G H X S+ 0 0 0 -4,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.851 114.4 49.3 -61.1 -39.1 4.2 40.6 6.1 14 21 A V H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.919 111.7 49.7 -69.4 -41.8 5.9 43.7 4.9 15 22 A N H X S+ 0 0 86 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.904 110.2 50.4 -59.9 -43.5 8.7 41.6 3.2 16 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.925 109.0 52.0 -59.6 -44.6 6.0 39.4 1.6 17 24 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.919 107.3 53.2 -57.2 -43.4 4.3 42.6 0.3 18 25 A N H X S+ 0 0 30 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.876 108.2 50.0 -58.3 -41.7 7.6 43.7 -1.2 19 26 A R H X S+ 0 0 57 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.907 107.7 53.4 -60.3 -46.5 7.9 40.4 -3.0 20 27 A M H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.2 0.905 112.2 45.5 -55.5 -43.9 4.3 40.9 -4.4 21 28 A I H ><5S+ 0 0 49 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.897 111.5 51.7 -67.1 -43.2 5.4 44.3 -5.7 22 29 A E H 3<5S+ 0 0 130 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.864 109.6 50.5 -62.8 -36.0 8.7 42.9 -7.1 23 30 A Q T 3<5S- 0 0 93 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.441 118.6-112.0 -84.2 0.3 6.7 40.1 -8.9 24 31 A G T < 5 - 0 0 37 -3,-1.1 2,-0.3 -4,-0.2 -3,-0.2 0.807 43.5-179.1 77.3 32.7 4.3 42.7 -10.5 25 32 A L < - 0 0 8 -5,-2.5 3,-0.2 -6,-0.1 -1,-0.2 -0.544 19.7-162.6 -63.9 125.0 1.0 41.8 -8.7 26 33 A K + 0 0 161 -2,-0.3 166,-0.1 1,-0.1 3,-0.1 -0.590 52.9 39.9-111.7 168.1 -1.5 44.3 -10.2 27 34 A G S S+ 0 0 51 1,-0.2 -23,-0.5 -2,-0.2 2,-0.3 0.584 94.4 96.3 74.3 10.8 -4.9 45.7 -9.5 28 35 A V - 0 0 20 -3,-0.2 2,-0.4 -25,-0.1 -23,-0.2 -0.955 68.6-129.0-132.6 150.9 -4.2 46.0 -5.7 29 36 A E E -b 5 0A 66 -25,-2.4 -23,-3.1 -2,-0.3 2,-0.5 -0.859 25.1-141.4 -96.0 135.0 -3.1 48.7 -3.3 30 37 A F E -b 6 0A 12 -2,-0.4 17,-2.1 -25,-0.2 16,-1.0 -0.850 17.4-174.8-104.0 126.2 -0.2 47.8 -1.0 31 38 A I E -bc 7 47A 2 -25,-2.7 -23,-2.5 -2,-0.5 2,-0.5 -0.983 6.2-162.0-124.2 125.3 -0.2 48.9 2.7 32 39 A A E -bc 8 48A 0 15,-3.3 17,-3.0 -2,-0.4 2,-0.4 -0.939 8.7-179.7-112.5 129.1 2.7 48.3 5.0 33 40 A I E +bc 9 49A 2 -25,-2.4 -23,-2.0 -2,-0.5 2,-0.3 -0.998 16.9 144.5-127.7 128.6 2.3 48.5 8.8 34 41 A N E - c 0 50A 9 15,-1.7 17,-2.3 -2,-0.4 -2,-0.0 -0.972 52.9-126.2-157.6 167.1 5.2 47.9 11.2 35 42 A T S S+ 0 0 0 -2,-0.3 25,-2.2 15,-0.2 2,-0.4 -0.015 91.4 80.0-106.7 27.6 6.8 49.0 14.5 36 43 A D > - 0 0 48 23,-0.2 4,-1.8 1,-0.1 23,-0.1 -0.905 58.5-167.8-142.4 100.7 10.1 49.7 12.9 37 44 A A H > S+ 0 0 26 -2,-0.4 4,-1.2 1,-0.2 -1,-0.1 0.827 87.5 51.1 -61.4 -39.2 10.6 53.0 11.0 38 45 A Q H > S+ 0 0 138 20,-0.4 4,-0.8 2,-0.2 3,-0.2 0.901 109.6 50.5 -68.4 -41.8 13.9 52.1 9.2 39 46 A A H >4 S+ 0 0 26 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.891 108.1 53.7 -60.8 -40.5 12.5 48.8 7.9 40 47 A L H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.778 97.1 65.3 -65.6 -29.1 9.5 50.6 6.6 41 48 A L H 3< S+ 0 0 105 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.800 100.2 53.1 -61.0 -29.2 11.8 53.0 4.7 42 49 A M T << S+ 0 0 140 -3,-0.9 -1,-0.2 -4,-0.8 2,-0.2 0.557 88.6 104.1 -82.1 -10.0 12.8 50.0 2.6 43 50 A S < - 0 0 3 -3,-1.2 -28,-0.1 -4,-0.3 -11,-0.1 -0.524 57.0-158.3 -77.1 139.1 9.2 49.1 1.7 44 51 A D + 0 0 113 -2,-0.2 -1,-0.1 3,-0.0 -14,-0.1 0.262 48.7 134.2 -95.2 10.4 7.9 49.8 -1.8 45 52 A A - 0 0 7 -5,-0.1 -14,-0.2 1,-0.1 3,-0.1 -0.134 64.7-124.9 -61.4 155.3 4.3 49.8 -0.6 46 53 A D S S+ 0 0 89 -16,-1.0 2,-0.4 1,-0.2 -15,-0.2 0.861 99.4 31.6 -67.3 -39.4 1.8 52.5 -1.6 47 54 A V E -c 31 0A 13 -17,-2.1 -15,-3.3 304,-0.0 2,-0.4 -0.980 69.3-171.6-126.3 135.4 1.0 53.3 2.0 48 55 A K E -c 32 0A 37 -2,-0.4 302,-2.7 302,-0.3 2,-0.5 -0.985 2.9-176.2-132.2 117.1 3.4 53.0 4.9 49 56 A L E -cD 33 349A 0 -17,-3.0 -15,-1.7 -2,-0.4 2,-0.6 -0.965 11.6-157.8-121.9 118.4 2.3 53.4 8.5 50 57 A D E -cD 34 348A 5 298,-3.0 298,-2.4 -2,-0.5 2,-0.2 -0.828 23.2-177.4 -91.5 120.8 4.7 53.3 11.5 51 58 A V + 0 0 2 -17,-2.3 7,-0.2 -2,-0.6 296,-0.2 -0.716 50.9 32.5-118.8 167.0 2.9 52.3 14.7 52 59 A G > + 0 0 2 19,-0.5 4,-2.1 294,-0.3 5,-0.4 0.845 64.4 157.3 58.5 39.7 3.7 51.9 18.4 53 60 A R H > + 0 0 42 293,-2.5 4,-1.3 -3,-0.2 293,-0.2 0.835 69.7 41.8 -66.3 -36.9 6.3 54.7 18.3 54 61 A D H 4 S+ 0 0 90 2,-0.2 -1,-0.2 1,-0.1 292,-0.1 0.958 119.2 43.4 -73.0 -51.0 6.3 55.5 22.0 55 62 A S H 4 S+ 0 0 78 1,-0.2 -2,-0.2 12,-0.1 -1,-0.1 0.748 130.6 23.2 -66.3 -29.8 6.1 51.9 23.3 56 63 A T H >< S- 0 0 12 -4,-2.1 3,-1.0 11,-0.1 -3,-0.2 0.607 85.4-141.1-113.9 -22.0 8.7 50.5 20.9 57 64 A R T 3< S- 0 0 215 -4,-1.3 -4,-0.1 -5,-0.4 -3,-0.1 0.788 73.4 -57.5 60.7 32.5 10.9 53.5 19.8 58 65 A G T 3 S+ 0 0 17 -6,-0.4 -20,-0.4 -7,-0.2 -1,-0.2 0.687 119.0 105.0 74.1 24.0 11.1 52.2 16.2 59 66 A L S < S- 0 0 143 -3,-1.0 3,-0.3 1,-0.4 -23,-0.2 0.229 83.7-100.6-118.8 11.5 12.6 48.8 17.2 60 67 A G - 0 0 21 -25,-2.2 -1,-0.4 1,-0.2 -23,-0.0 -0.165 43.4 -73.6 88.7 170.8 9.8 46.3 16.9 61 68 A A > - 0 0 13 -3,-0.1 3,-1.5 -2,-0.0 6,-0.2 0.336 57.5-120.2 -86.8 4.3 7.6 44.7 19.6 62 69 A G T 3 - 0 0 74 -3,-0.3 -2,-0.1 1,-0.3 5,-0.0 0.872 68.5 -62.8 54.9 40.1 10.3 42.4 20.9 63 70 A A T 3 S+ 0 0 34 1,-0.2 -1,-0.3 2,-0.1 73,-0.0 0.612 103.4 132.5 60.7 20.6 8.2 39.4 20.1 64 71 A D X> - 0 0 78 -3,-1.5 4,-1.5 1,-0.1 3,-0.9 -0.873 43.0-162.4-102.9 104.6 5.4 40.4 22.6 65 72 A P H 3> S+ 0 0 26 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.759 86.9 63.2 -59.4 -26.2 2.0 40.2 20.8 66 73 A E H 3> S+ 0 0 103 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.878 102.1 49.7 -66.4 -37.7 0.4 42.4 23.4 67 74 A V H <> S+ 0 0 41 -3,-0.9 4,-2.4 -6,-0.2 -1,-0.2 0.931 111.7 49.5 -63.4 -45.3 2.6 45.3 22.4 68 75 A G H X S+ 0 0 2 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.893 110.9 49.4 -60.0 -43.3 1.7 44.7 18.8 69 76 A R H X S+ 0 0 95 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.913 113.3 45.2 -62.8 -46.3 -2.0 44.6 19.5 70 77 A K H X S+ 0 0 114 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.864 110.3 54.8 -68.4 -37.6 -1.9 47.9 21.5 71 78 A A H X S+ 0 0 2 -4,-2.4 4,-1.0 2,-0.2 -19,-0.5 0.914 113.7 41.6 -59.4 -45.2 0.2 49.6 18.9 72 79 A A H < S+ 0 0 0 -4,-1.9 7,-0.2 2,-0.2 -2,-0.2 0.892 114.8 50.8 -69.8 -43.6 -2.4 48.7 16.2 73 80 A E H >< S+ 0 0 64 -4,-2.6 3,-1.9 1,-0.2 4,-0.3 0.911 106.5 54.6 -59.1 -46.6 -5.3 49.6 18.5 74 81 A D H 3< S+ 0 0 65 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.850 115.6 40.7 -54.8 -33.8 -3.8 53.0 19.3 75 82 A A T 3X S+ 0 0 5 -4,-1.0 4,-2.7 -5,-0.2 -1,-0.3 0.144 81.1 116.5-100.0 18.4 -3.7 53.6 15.6 76 83 A K H <> S+ 0 0 87 -3,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.820 74.3 49.7 -61.8 -36.3 -7.1 52.1 14.8 77 84 A D H > S+ 0 0 76 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.906 113.1 47.5 -69.0 -42.2 -8.7 55.3 13.5 78 85 A E H > S+ 0 0 20 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.929 112.6 48.7 -60.4 -49.5 -5.8 55.9 11.2 79 86 A I H X S+ 0 0 2 -4,-2.7 4,-1.7 -7,-0.2 -2,-0.2 0.897 111.4 50.5 -57.9 -43.2 -5.9 52.3 9.9 80 87 A E H X S+ 0 0 33 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.907 107.1 53.6 -62.8 -40.9 -9.6 52.6 9.3 81 88 A E H < S+ 0 0 14 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.850 109.5 49.4 -64.1 -31.9 -9.1 55.8 7.4 82 89 A L H < S+ 0 0 6 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.813 115.8 42.1 -74.1 -33.6 -6.6 54.0 5.2 83 90 A L H >< S+ 0 0 4 -4,-1.7 3,-1.8 -5,-0.1 -2,-0.2 0.766 82.4 116.6 -86.1 -30.2 -9.0 51.0 4.5 84 91 A R T 3< S+ 0 0 8 -4,-2.6 3,-0.1 1,-0.3 382,-0.1 -0.158 76.0 31.5 -42.9 126.9 -12.3 53.0 4.0 85 92 A G T 3 S+ 0 0 5 1,-0.4 2,-0.3 29,-0.1 -1,-0.3 0.260 87.0 129.5 104.0 -7.4 -13.5 52.4 0.4 86 93 A A < - 0 0 4 -3,-1.8 -1,-0.4 1,-0.2 -82,-0.2 -0.603 41.3-168.0 -83.2 138.6 -12.1 48.9 0.1 87 94 A D S S+ 0 0 19 -84,-2.8 30,-2.8 1,-0.3 2,-0.4 0.730 83.2 23.9 -86.8 -26.6 -14.4 46.1 -1.2 88 95 A M E -ae 4 117A 0 -85,-2.1 -83,-2.5 28,-0.3 2,-0.4 -0.999 66.3-168.1-144.6 133.9 -11.8 43.5 -0.2 89 96 A V E -ae 5 118A 0 28,-2.9 30,-2.7 -2,-0.4 2,-0.4 -0.986 4.4-162.4-127.6 127.3 -8.9 43.6 2.3 90 97 A F E -ae 6 119A 0 -85,-2.8 -83,-3.5 -2,-0.4 2,-0.5 -0.880 5.0-163.4-101.4 137.4 -6.1 41.0 2.7 91 98 A V E -ae 7 120A 0 28,-2.0 30,-2.2 -2,-0.4 2,-0.4 -0.973 13.5-177.8-121.5 110.9 -4.1 40.9 5.9 92 99 A T E +ae 8 121A 0 -85,-3.4 -83,-2.6 -2,-0.5 2,-0.3 -0.896 12.9 140.7-115.1 145.6 -0.7 39.1 5.6 93 100 A A E - e 0 122A 0 28,-1.0 30,-1.4 -2,-0.4 2,-0.6 -0.963 51.4-110.2-166.5 154.9 1.8 38.4 8.3 94 101 A G E > - e 0 123A 27 -85,-0.4 3,-0.6 -2,-0.3 7,-0.3 -0.908 43.4-136.9 -88.3 120.1 4.2 35.8 9.6 95 102 A E T 3 S+ 0 0 6 28,-2.1 42,-0.2 -2,-0.6 3,-0.1 -0.556 76.1 62.0 -77.2 147.4 2.7 34.7 12.9 96 103 A G T 3 S+ 0 0 0 1,-0.5 -1,-0.2 40,-0.2 40,-0.2 -0.021 83.3 81.0 128.7 -32.1 5.0 34.3 15.9 97 104 A G S < S- 0 0 16 -3,-0.6 -1,-0.5 39,-0.1 4,-0.2 -0.078 85.2-106.1 -86.9-166.0 6.4 37.8 16.5 98 105 A G S > S+ 0 0 4 3,-0.2 4,-1.7 -34,-0.1 5,-0.3 0.868 106.6 47.2 -93.3 -42.5 4.8 40.7 18.4 99 106 A T H > S+ 0 0 12 3,-0.2 4,-2.2 2,-0.2 5,-0.3 0.945 120.6 33.4 -71.5 -51.4 3.7 43.1 15.7 100 107 A G H > S+ 0 0 4 -6,-0.2 4,-2.5 2,-0.2 -5,-0.1 0.958 120.4 49.1 -69.7 -54.3 2.0 40.8 13.2 101 108 A T H 4 S+ 0 0 5 -7,-0.3 -2,-0.2 1,-0.2 -3,-0.2 0.935 123.6 31.9 -48.4 -54.4 0.7 38.3 15.7 102 109 A G H < S+ 0 0 8 -4,-1.7 4,-0.3 -5,-0.1 -1,-0.2 0.839 124.5 43.0 -75.7 -36.7 -0.9 41.1 17.8 103 110 A G H >X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 3,-0.8 0.796 94.8 73.2 -86.1 -31.9 -1.7 43.6 15.1 104 111 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.855 94.9 52.0 -56.3 -43.4 -3.2 41.5 12.4 105 112 A P H 3> S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.805 107.7 54.6 -64.2 -27.4 -6.6 40.8 14.1 106 113 A V H <> S+ 0 0 6 -3,-0.8 4,-1.8 -4,-0.3 -2,-0.2 0.932 110.7 44.1 -68.1 -47.1 -7.0 44.6 14.7 107 114 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.932 114.8 49.3 -62.3 -47.8 -6.6 45.4 11.0 108 115 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.931 109.3 51.8 -59.4 -47.7 -8.9 42.5 10.0 109 116 A S H X S+ 0 0 57 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.884 109.3 50.3 -56.8 -40.2 -11.6 43.6 12.5 110 117 A I H X S+ 0 0 11 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.938 112.0 47.9 -64.3 -46.0 -11.6 47.1 11.1 111 118 A A H <>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 4,-0.5 0.926 114.2 46.1 -58.1 -47.2 -11.9 45.7 7.6 112 119 A R H ><5S+ 0 0 94 -4,-3.0 3,-0.8 35,-0.3 -2,-0.2 0.873 109.2 54.7 -67.3 -37.9 -14.7 43.4 8.6 113 120 A K H 3<5S+ 0 0 142 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.913 106.8 51.9 -58.9 -43.3 -16.5 46.2 10.6 114 121 A L T 3<5S- 0 0 18 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.618 120.3-115.7 -67.6 -13.6 -16.4 48.3 7.3 115 122 A G T < 5 + 0 0 36 -3,-0.8 -3,-0.2 -4,-0.5 2,-0.1 0.544 63.2 150.0 88.2 8.4 -18.0 45.3 5.6 116 123 A A < - 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