==== 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 09-OCT-07 2RHL . COMPND 2 MOLECULE: CELL DIVISION PROTEIN FTSZ; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.LOVELL,Z.HALLORAN,K.HJERRILD,D.SHERIDAN,A.BURGIN, . 620 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 6.6 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 . 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 . 49 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 3 3 0 3 2 0 4 0 0 2 2 2 0 2 0 0 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 4 2 2 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 . 3 0 0 0 0 0 3 0 1 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 1 1 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 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 99 0, 0.0 2,-0.8 0, 0.0 84,-0.1 0.000 360.0 360.0 360.0 -44.6 16.9 -22.0 14.7 2 13 A S + 0 0 31 82,-0.1 84,-2.6 25,-0.0 85,-1.9 -0.876 360.0 171.5 -99.9 98.6 14.7 -21.0 11.7 3 14 A I E -a 87 0A 1 -2,-0.8 25,-2.3 23,-0.5 2,-0.4 -0.942 11.4-166.0-112.3 121.5 12.3 -23.9 11.2 4 15 A K E -ab 88 28A 30 83,-2.8 85,-3.0 -2,-0.5 2,-0.5 -0.890 10.8-162.5-111.6 137.0 9.4 -23.5 8.7 5 16 A V E -ab 89 29A 0 23,-2.4 25,-2.6 -2,-0.4 2,-0.6 -0.987 12.9-170.2-115.2 120.1 6.3 -25.7 8.3 6 17 A I E -ab 90 30A 0 83,-3.1 85,-2.2 -2,-0.5 2,-0.4 -0.950 7.5-155.7-121.7 112.4 4.6 -25.2 5.0 7 18 A G E -ab 91 31A 0 23,-2.8 25,-1.9 -2,-0.6 2,-0.6 -0.737 10.5-155.6 -92.2 135.3 1.2 -26.8 4.4 8 19 A V E > - b 0 32A 1 83,-2.8 4,-0.7 -2,-0.4 85,-0.5 -0.923 49.2 -21.1-127.7 114.7 0.3 -27.5 0.8 9 20 A G H > S- 0 0 3 23,-2.2 4,-2.9 -2,-0.6 5,-0.2 -0.218 101.9 -45.3 82.2-177.5 -3.2 -27.7 -0.5 10 21 A G H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 137.0 40.4 -51.7 -56.3 -6.4 -28.5 1.5 11 22 A G H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 116.5 50.0 -67.7 -43.2 -5.2 -31.4 3.6 12 23 A G H X S+ 0 0 0 -4,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.918 111.1 48.6 -59.5 -47.3 -1.8 -29.9 4.3 13 24 A N H X S+ 0 0 8 -4,-2.9 4,-2.0 2,-0.2 30,-0.3 0.894 110.2 53.1 -60.3 -37.1 -3.4 -26.5 5.3 14 25 A N H X S+ 0 0 86 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.906 108.4 49.9 -66.4 -39.7 -5.7 -28.5 7.6 15 26 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.913 108.5 52.3 -60.9 -44.3 -2.8 -30.3 9.2 16 27 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.863 107.5 53.1 -61.5 -36.1 -1.0 -26.9 9.8 17 28 A N H X S+ 0 0 21 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.949 108.3 49.9 -61.3 -50.1 -4.3 -25.7 11.5 18 29 A R H X S+ 0 0 37 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.918 110.0 50.9 -50.3 -48.5 -4.2 -28.7 13.8 19 30 A M H <>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 -1,-0.2 0.916 111.2 47.8 -57.9 -45.2 -0.5 -28.0 14.6 20 31 A I H ><5S+ 0 0 44 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.886 111.1 51.3 -62.6 -38.2 -1.4 -24.4 15.4 21 32 A E H 3<5S+ 0 0 81 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.823 108.9 49.5 -70.9 -35.1 -4.4 -25.5 17.6 22 33 A N T 3<5S- 0 0 70 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.246 112.3-127.7 -81.0 10.2 -2.1 -27.9 19.5 23 34 A E T < 5 - 0 0 137 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.823 32.5-170.0 40.8 44.3 0.3 -24.9 19.9 24 35 A V < - 0 0 9 -5,-2.0 3,-0.3 1,-0.1 2,-0.2 -0.420 17.9-140.3 -54.4 137.6 3.3 -26.7 18.6 25 36 A Q + 0 0 136 1,-0.2 166,-0.1 -2,-0.1 3,-0.1 -0.483 63.0 34.4-108.9 167.5 6.2 -24.4 19.3 26 37 A G S S+ 0 0 39 1,-0.2 -23,-0.5 -2,-0.2 2,-0.3 0.471 91.3 100.1 76.2 3.7 9.4 -23.1 17.7 27 38 A V - 0 0 11 -3,-0.3 2,-0.4 -25,-0.1 -23,-0.2 -0.882 62.7-138.3-122.7 151.2 8.2 -23.2 14.1 28 39 A E E -b 4 0A 75 -25,-2.3 -23,-2.4 -2,-0.3 2,-0.3 -0.957 26.9-140.8-103.4 132.3 6.8 -20.6 11.7 29 40 A Y E -b 5 0A 26 -2,-0.4 17,-1.4 -25,-0.2 2,-0.4 -0.739 17.6-174.6 -99.7 138.8 3.8 -21.7 9.6 30 41 A I E -bc 6 46A 4 -25,-2.6 -23,-2.8 -2,-0.3 2,-0.4 -0.996 9.7-156.0-129.2 133.5 3.1 -21.0 5.9 31 42 A A E -bc 7 47A 0 15,-2.8 17,-3.8 -2,-0.4 2,-0.4 -0.941 11.4-170.2-113.1 137.5 -0.1 -22.0 4.2 32 43 A V E +bc 8 48A 0 -25,-1.9 -23,-2.2 -2,-0.4 2,-0.3 -0.983 14.8 150.3-131.3 130.3 -0.1 -22.4 0.4 33 44 A N E - c 0 49A 8 15,-1.9 17,-1.9 -2,-0.4 24,-0.0 -0.990 45.0-148.1-156.4 154.9 -3.1 -22.9 -1.9 34 45 A T S S+ 0 0 0 -2,-0.3 25,-1.6 15,-0.2 2,-0.8 0.612 91.2 79.5 -87.0 -20.7 -4.3 -22.3 -5.4 35 46 A D B > -G 58 0B 55 23,-0.3 4,-1.8 1,-0.2 23,-0.2 -0.802 64.9-167.1 -94.0 103.2 -7.8 -22.0 -3.9 36 47 A A H > S+ 0 0 34 21,-2.2 4,-2.1 -2,-0.8 -1,-0.2 0.850 84.5 54.5 -60.7 -37.6 -8.1 -18.4 -2.5 37 48 A Q H > S+ 0 0 160 20,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.936 110.8 43.0 -65.4 -52.3 -11.3 -19.2 -0.5 38 49 A A H >4 S+ 0 0 40 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.806 110.4 59.7 -58.4 -31.8 -9.9 -22.2 1.3 39 50 A L H >< S+ 0 0 11 -4,-1.8 3,-2.2 1,-0.2 -2,-0.2 0.924 96.5 59.8 -67.0 -40.9 -6.7 -20.2 1.9 40 51 A N H 3< S+ 0 0 127 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.770 98.1 60.9 -55.9 -26.5 -8.7 -17.5 3.8 41 52 A L T << S+ 0 0 136 -4,-0.6 -1,-0.3 -3,-0.6 2,-0.3 0.335 83.5 109.7 -83.0 9.5 -9.8 -20.3 6.2 42 53 A S < - 0 0 9 -3,-2.2 -28,-0.1 1,-0.1 -11,-0.1 -0.646 57.8-154.6 -89.3 143.5 -6.1 -21.0 7.3 43 54 A K + 0 0 121 -2,-0.3 -1,-0.1 -30,-0.3 -14,-0.1 0.441 56.9 120.7 -89.9 0.1 -4.7 -20.0 10.7 44 55 A A - 0 0 3 1,-0.1 -14,-0.1 -31,-0.1 -2,-0.1 -0.321 67.4-132.2 -64.3 145.6 -1.1 -19.8 9.4 45 56 A E S S+ 0 0 162 -16,-0.3 2,-0.5 1,-0.1 -15,-0.1 0.912 97.2 48.9 -58.4 -49.1 0.5 -16.4 9.9 46 57 A V E S-c 30 0A 56 -17,-1.4 -15,-2.8 2,-0.0 2,-0.5 -0.888 70.6-170.7-101.5 124.7 1.7 -16.4 6.2 47 58 A K E -c 31 0A 91 -2,-0.5 2,-0.6 -17,-0.2 -15,-0.2 -0.963 5.5-167.5-120.8 112.9 -0.9 -17.2 3.6 48 59 A M E -c 32 0A 23 -17,-3.8 -15,-1.9 -2,-0.5 2,-0.7 -0.900 8.1-160.4-113.2 115.4 0.6 -17.7 0.1 49 60 A Q E -c 33 0A 81 -2,-0.6 3,-0.4 -17,-0.2 2,-0.2 -0.874 17.9-162.8 -95.8 113.7 -1.7 -17.9 -2.9 50 61 A I + 0 0 0 -17,-1.9 7,-0.2 -2,-0.7 21,-0.2 -0.649 61.8 20.8-101.1 153.4 0.1 -19.6 -5.8 51 62 A G >> + 0 0 0 19,-1.0 4,-2.8 -2,-0.2 5,-0.5 0.889 63.5 163.5 59.6 45.7 -0.7 -19.5 -9.5 52 63 A A H >5S+ 0 0 55 -3,-0.4 4,-2.1 1,-0.2 6,-0.2 0.927 78.9 42.0 -55.4 -48.3 -2.9 -16.4 -9.4 53 64 A K H 45S+ 0 0 125 2,-0.2 318,-0.3 1,-0.2 319,-0.2 0.872 118.3 44.4 -66.3 -39.3 -2.6 -16.0 -13.2 54 65 A L H 45S+ 0 0 6 1,-0.2 -2,-0.2 317,-0.1 -1,-0.2 0.848 132.5 16.8 -81.5 -36.8 -3.1 -19.7 -14.0 55 66 A T H ><5S- 0 0 12 -4,-2.8 3,-2.4 -5,-0.1 -3,-0.2 0.512 85.1-138.2-115.0 -12.4 -6.0 -20.5 -11.6 56 67 A R T 3< - 0 0 11 -2,-0.1 3,-2.2 -3,-0.1 6,-0.3 0.231 50.7-124.7-117.3 8.9 -6.4 -26.7 -9.2 61 72 A G T 3 - 0 0 75 -3,-0.3 -2,-0.1 1,-0.3 5,-0.0 0.816 67.5 -65.6 48.2 39.8 -9.4 -28.9 -10.2 62 73 A A T 3 S+ 0 0 47 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.742 104.8 133.3 59.5 23.7 -7.8 -32.1 -8.7 63 74 A N X> - 0 0 21 -3,-2.2 4,-1.5 1,-0.1 3,-1.1 -0.887 47.0-159.5-112.5 110.9 -5.1 -31.8 -11.4 64 75 A P H 3> S+ 0 0 29 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.794 91.5 62.1 -57.8 -28.2 -1.4 -32.2 -10.4 65 76 A E H 3> S+ 0 0 33 294,-0.3 4,-3.0 1,-0.2 5,-0.2 0.882 103.8 49.0 -66.2 -33.7 -0.1 -30.5 -13.5 66 77 A V H <> S+ 0 0 20 -3,-1.1 4,-2.4 -6,-0.3 -1,-0.2 0.891 111.2 49.5 -71.4 -38.5 -2.0 -27.3 -12.4 67 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.0 30,-0.3 -2,-0.2 0.941 112.7 48.2 -62.0 -47.3 -0.5 -27.5 -8.9 68 79 A K H X S+ 0 0 86 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.969 115.6 43.1 -55.0 -55.2 2.9 -28.0 -10.4 69 80 A K H X S+ 0 0 54 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.836 109.5 56.9 -69.6 -26.9 2.5 -25.0 -12.8 70 81 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -19,-1.0 0.922 108.6 47.3 -63.7 -43.8 1.0 -22.8 -10.1 71 82 A A H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.829 109.1 54.6 -69.4 -32.9 4.0 -23.3 -8.0 72 83 A E H >< S+ 0 0 64 -4,-1.8 3,-1.3 1,-0.2 4,-0.2 0.907 107.6 49.7 -65.6 -40.0 6.3 -22.6 -11.0 73 84 A E H 3< S+ 0 0 42 -4,-2.2 3,-0.4 1,-0.3 -2,-0.2 0.882 116.2 42.8 -60.9 -41.1 4.5 -19.2 -11.6 74 85 A S T 3X S+ 0 0 8 -4,-1.7 4,-2.1 1,-0.2 3,-0.5 0.156 78.9 121.9 -93.5 17.6 5.0 -18.4 -7.9 75 86 A K H <> S+ 0 0 97 -3,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.880 74.7 47.3 -47.5 -48.0 8.6 -19.7 -7.8 76 87 A E H > S+ 0 0 103 -3,-0.4 4,-2.3 -4,-0.2 -1,-0.2 0.845 110.4 50.7 -70.9 -32.3 10.0 -16.3 -6.7 77 88 A Q H > S+ 0 0 105 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.878 110.1 50.0 -71.3 -35.7 7.5 -15.7 -3.9 78 89 A I H X S+ 0 0 1 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.896 110.2 51.5 -66.9 -40.7 8.1 -19.2 -2.5 79 90 A E H >X S+ 0 0 60 -4,-2.0 4,-1.4 -5,-0.2 3,-0.7 0.964 111.4 47.9 -57.0 -55.3 11.9 -18.5 -2.5 80 91 A E H >< S+ 0 0 106 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.906 110.2 50.8 -45.4 -55.1 11.2 -15.2 -0.7 81 92 A A H 3< S+ 0 0 25 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.731 114.4 44.1 -65.0 -22.2 9.0 -16.9 1.9 82 93 A L H X< S+ 0 0 1 -4,-1.3 3,-1.7 -3,-0.7 -1,-0.2 0.546 80.7 131.5-102.4 -14.1 11.6 -19.6 2.6 83 94 A K T << S+ 0 0 152 -4,-1.4 -3,-0.0 -3,-0.6 27,-0.0 -0.059 74.3 15.9 -28.2 126.1 14.7 -17.3 2.8 84 95 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 29,-0.2 -1,-0.2 0.554 86.5 145.1 79.9 7.6 16.9 -18.0 5.8 85 96 A A < - 0 0 14 -3,-1.7 -1,-0.2 1,-0.2 -82,-0.2 -0.610 32.2-173.8 -81.9 138.8 15.4 -21.4 6.8 86 97 A D S S+ 0 0 74 -84,-2.6 30,-3.0 1,-0.3 2,-0.4 0.701 81.4 23.1 -89.4 -33.2 17.7 -24.0 8.3 87 98 A M E -ad 3 116A 0 -85,-1.9 -83,-2.8 28,-0.3 2,-0.4 -0.999 65.4-171.9-140.5 137.2 14.9 -26.6 8.2 88 99 A V E -ad 4 117A 1 28,-2.8 30,-2.0 -2,-0.4 2,-0.5 -0.986 6.1-162.9-132.6 119.5 11.7 -26.8 6.1 89 100 A F E -ad 5 118A 0 -85,-3.0 -83,-3.1 -2,-0.4 2,-0.5 -0.911 7.4-162.3 -95.6 130.4 8.8 -29.3 6.6 90 101 A V E -ad 6 119A 0 28,-1.9 30,-2.3 -2,-0.5 2,-0.4 -0.970 12.1-175.1-114.5 112.0 6.5 -29.7 3.6 91 102 A T E +ad 7 120A 0 -85,-2.2 -83,-2.8 -2,-0.5 2,-0.3 -0.922 14.6 141.7-111.9 142.0 3.1 -31.3 4.5 92 103 A A E - d 0 121A 0 28,-1.1 30,-1.2 -2,-0.4 2,-0.6 -0.976 50.8-111.0-165.1 156.0 0.3 -32.3 2.1 93 104 A G E > - d 0 122A 23 -85,-0.5 3,-0.5 -2,-0.3 7,-0.3 -0.878 41.7-137.3 -85.9 125.2 -2.3 -34.9 1.4 94 105 A M T 3 S+ 0 0 7 28,-2.1 42,-0.2 -2,-0.6 43,-0.1 -0.663 76.3 55.0 -85.5 145.4 -1.1 -36.6 -1.8 95 106 A G T 3 S+ 0 0 0 1,-0.3 -1,-0.2 -2,-0.3 40,-0.2 0.011 87.9 77.9 126.1 -27.3 -3.8 -37.4 -4.5 96 107 A G S < S- 0 0 13 -3,-0.5 -1,-0.3 39,-0.1 -29,-0.1 0.225 87.5 -97.2 -87.4-143.5 -5.4 -34.1 -5.2 97 108 A G S > S+ 0 0 7 -34,-0.1 4,-1.5 3,-0.1 5,-0.4 0.829 107.7 41.7-110.8 -51.7 -4.0 -31.2 -7.4 98 109 A T H >>S+ 0 0 12 3,-0.2 4,-2.7 2,-0.2 5,-0.6 0.960 121.6 40.4 -71.2 -47.9 -2.4 -28.5 -5.3 99 110 A G H >5S+ 0 0 6 3,-0.2 4,-2.1 2,-0.2 -5,-0.1 0.974 117.5 44.9 -60.9 -59.2 -0.5 -30.9 -2.9 100 111 A T H 45S+ 0 0 7 -7,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.861 125.5 33.7 -53.3 -40.5 0.5 -33.6 -5.4 101 112 A G H X5S+ 0 0 8 -4,-1.5 4,-0.6 2,-0.1 -1,-0.2 0.877 125.5 33.8 -91.2 -44.1 1.7 -31.0 -7.9 102 113 A A H X5S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.4 5,-0.2 0.775 101.4 71.8 -90.5 -28.8 3.0 -28.1 -5.9 103 114 A A H X S+ 0 0 16 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.926 111.4 49.9 -59.2 -43.3 7.5 -31.2 -4.9 105 116 A V H X S+ 0 0 22 -4,-0.6 4,-1.7 1,-0.2 -2,-0.2 0.901 113.9 45.7 -62.3 -40.4 8.3 -27.9 -6.5 106 117 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.856 112.0 51.8 -68.6 -37.6 8.2 -26.2 -3.0 107 118 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.945 109.7 49.0 -62.9 -48.9 10.4 -29.0 -1.6 108 119 A Q H X S+ 0 0 70 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.844 109.5 51.9 -61.2 -38.3 13.0 -28.6 -4.3 109 120 A I H X S+ 0 0 9 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.925 109.9 50.4 -64.9 -42.5 13.0 -24.8 -3.8 110 121 A A H <>S+ 0 0 0 -4,-2.0 5,-1.6 2,-0.2 3,-0.2 0.935 112.8 46.2 -57.2 -46.4 13.6 -25.5 -0.1 111 122 A K H ><5S+ 0 0 72 -4,-2.4 3,-2.4 35,-0.4 -2,-0.2 0.939 107.2 55.4 -68.0 -46.7 16.5 -27.9 -0.9 112 123 A D H 3<5S+ 0 0 121 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.804 103.5 58.2 -55.6 -31.4 18.2 -25.6 -3.4 113 124 A L T 3<5S- 0 0 86 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.405 122.5-105.1 -75.7 1.3 18.3 -22.9 -0.7 114 125 A G T < 5S+ 0 0 63 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.435 72.1 142.4 86.1 -1.6 20.3 -25.2 1.6 115 126 A A < - 0 0 6 -5,-1.6 2,-0.7 1,-0.1 -1,-0.3 -0.438 62.2-111.8 -71.7 143.6 17.5 -26.0 4.1 116 127 A L E -d 87 0A 12 -30,-3.0 -28,-2.8 -2,-0.1 2,-0.6 -0.727 43.1-153.7 -68.7 115.0 17.2 -29.5 5.5 117 128 A T E +d 88 0A 0 -2,-0.7 31,-2.9 -30,-0.2 32,-1.3 -0.886 20.1 176.5-110.5 111.0 14.0 -30.5 3.7 118 129 A V E -de 89 149A 0 -30,-2.0 -28,-1.9 -2,-0.6 2,-0.4 -0.958 14.6-153.6-114.4 126.5 11.7 -33.2 5.3 119 130 A G E -de 90 150A 0 30,-3.3 32,-3.1 -2,-0.5 2,-0.4 -0.840 8.7-172.4 -98.2 141.3 8.4 -34.1 3.6 120 131 A V E +de 91 151A 0 -30,-2.3 -28,-1.1 -2,-0.4 2,-0.3 -0.932 25.2 152.8-133.7 104.1 5.5 -35.4 5.6 121 132 A V E -de 92 152A 0 30,-2.8 32,-2.8 -2,-0.4 2,-0.4 -0.867 35.6-127.3-133.8 161.8 2.7 -36.6 3.4 122 133 A T E -de 93 153A 9 -30,-1.2 -28,-2.1 -2,-0.3 30,-0.0 -0.889 11.8-137.9-110.2 143.9 -0.2 -39.1 3.3 123 134 A R E - e 0 154A 75 30,-3.1 32,-2.2 -2,-0.4 33,-0.2 -0.806 45.7-100.3 -89.7 136.7 -1.1 -41.7 0.8 124 135 A P - 0 0 5 0, 0.0 32,-0.3 0, 0.0 -1,-0.1 -0.186 33.3 -95.6 -66.6 153.3 -4.9 -41.6 0.2 125 136 A F > - 0 0 0 30,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.413 32.7-122.5 -58.7 138.3 -7.6 -43.9 1.7 126 137 A T G > S+ 0 0 88 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.793 109.2 68.8 -49.7 -34.0 -8.5 -46.7 -0.7 127 138 A F G 3 S+ 0 0 97 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.529 83.7 70.6 -70.5 -3.6 -12.1 -45.5 -0.5 128 139 A E G < S- 0 0 53 -3,-2.1 4,-0.4 1,-0.2 -1,-0.3 0.587 109.0-118.9 -88.0 -10.2 -11.2 -42.3 -2.4 129 140 A G <> - 0 0 30 -3,-2.0 4,-1.5 -4,-0.2 -1,-0.2 -0.099 23.4 -66.5 100.9 170.1 -10.7 -44.5 -5.5 130 141 A R H > S+ 0 0 176 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.839 122.2 58.1 -67.5 -37.1 -8.2 -45.6 -8.0 131 142 A K H > S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.935 107.2 48.0 -63.4 -45.7 -7.6 -42.2 -9.7 132 143 A R H > S+ 0 0 91 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.901 111.2 50.6 -55.9 -43.8 -6.6 -40.6 -6.3 133 144 A Q H X S+ 0 0 31 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.866 110.9 49.3 -64.7 -38.8 -4.1 -43.4 -5.5 134 145 A L H X S+ 0 0 104 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.898 111.9 45.6 -70.1 -45.4 -2.5 -43.2 -8.9 135 146 A Q H X S+ 0 0 36 -4,-2.2 4,-2.2 2,-0.2 -40,-0.2 0.900 114.5 50.9 -64.7 -39.3 -2.1 -39.4 -8.7 136 147 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -42,-0.2 -2,-0.2 0.931 105.7 53.9 -62.4 -47.7 -0.7 -39.8 -5.2 137 148 A A H X S+ 0 0 40 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.899 110.3 49.9 -52.0 -41.6 1.8 -42.5 -6.2 138 149 A G H X S+ 0 0 40 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.904 112.1 44.6 -66.1 -47.5 3.0 -40.0 -8.8 139 150 A G H X S+ 0 0 4 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.819 108.6 58.1 -65.0 -35.0 3.4 -37.2 -6.4 140 151 A I H X S+ 0 0 3 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.947 109.4 44.1 -64.3 -43.6 5.1 -39.4 -3.8 141 152 A S H X S+ 0 0 67 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.949 114.4 49.0 -69.3 -43.1 7.8 -40.4 -6.2 142 153 A A H >X S+ 0 0 43 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.929 110.4 54.1 -54.0 -46.2 8.2 -36.7 -7.4 143 154 A M H >X S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.2 4,-0.6 0.876 103.3 53.7 -57.2 -44.5 8.4 -35.7 -3.7 144 155 A K H 3< S+ 0 0 53 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.744 102.9 56.5 -79.2 -9.5 11.2 -38.0 -2.8 145 156 A E H << S+ 0 0 140 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.654 112.0 46.8 -71.6 -17.7 13.3 -36.7 -5.6 146 157 A A H << S+ 0 0 3 -3,-1.7 -35,-0.4 -4,-0.5 2,-0.3 0.407 106.5 56.0-111.4 -1.9 12.8 -33.2 -4.0 147 158 A V S < S- 0 0 4 -4,-0.6 -29,-0.2 -3,-0.3 3,-0.2 -0.827 71.4-127.0-128.6 165.1 13.5 -33.8 -0.2 148 159 A D S S+ 0 0 48 -31,-2.9 61,-2.4 1,-0.3 2,-0.3 0.851 100.9 4.5 -77.2 -40.2 16.1 -35.1 2.1 149 160 A T E -e 118 0A 0 -32,-1.3 -30,-3.3 59,-0.2 2,-0.6 -0.983 64.7-156.6-144.5 139.8 13.5 -37.5 3.7 150 161 A L E -e 119 0A 1 61,-0.4 63,-3.0 -2,-0.3 2,-0.6 -0.949 4.4-160.5-118.7 111.1 9.9 -38.3 2.9 151 162 A I E -ef 120 213A 0 -32,-3.1 -30,-2.8 -2,-0.6 2,-0.5 -0.811 13.0-163.0 -84.0 120.4 7.7 -39.7 5.6 152 163 A V E -e 121 0A 7 61,-2.2 63,-0.3 -2,-0.6 -30,-0.2 -0.954 3.7-160.9-111.2 117.7 4.7 -41.3 3.9 153 164 A I E -e 122 0A 1 -32,-2.8 -30,-3.1 -2,-0.5 2,-1.0 -0.867 12.8-142.5 -98.5 117.9 1.6 -42.1 6.0 154 165 A P E >> -e 123 0A 13 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.735 7.4-155.7 -81.2 104.9 -0.7 -44.7 4.6 155 166 A N H >> S+ 0 0 4 -32,-2.2 3,-1.5 -2,-1.0 4,-0.7 0.822 86.0 70.0 -50.6 -32.9 -4.2 -43.4 5.4 156 167 A D H >> S+ 0 0 56 -32,-0.3 3,-2.0 1,-0.3 4,-0.5 0.935 93.5 57.5 -51.1 -45.5 -5.7 -46.9 5.2 157 168 A R H X4 S+ 0 0 89 -3,-1.0 3,-0.6 1,-0.3 -1,-0.3 0.705 90.2 71.0 -64.2 -20.5 -3.9 -47.9 8.4 158 169 A I H XX S+ 0 0 2 -3,-1.5 4,-2.1 -4,-0.5 3,-2.0 0.850 90.1 62.5 -58.0 -34.0 -5.5 -45.0 10.4 159 170 A L H << S+ 0 0 78 -3,-2.0 -1,-0.2 -4,-0.7 -2,-0.2 0.817 98.0 55.9 -64.8 -29.1 -8.8 -47.1 10.1 160 171 A E T << S+ 0 0 115 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.397 112.8 43.3 -77.2 2.0 -7.0 -49.8 12.2 161 172 A I T <4 S+ 0 0 88 -3,-2.0 2,-0.2 2,-0.1 -2,-0.2 0.657 107.0 59.5-119.3 -34.3 -6.3 -47.2 14.9 162 173 A V S < S- 0 0 19 -4,-2.1 4,-0.1 1,-0.2 -1,-0.0 -0.664 102.3 -75.9 -94.7 161.1 -9.6 -45.2 15.2 163 174 A D - 0 0 131 -2,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.007 42.2-107.6 -59.7 159.1 -12.9 -46.9 16.1 164 175 A K S S+ 0 0 210 1,-0.2 2,-0.9 -3,-0.1 -1,-0.1 0.884 111.2 58.2 -54.7 -48.1 -14.9 -49.0 13.6 165 176 A N + 0 0 161 2,-0.0 -1,-0.2 0, 0.0 -2,-0.2 -0.789 69.0 139.5 -87.0 99.5 -17.6 -46.3 13.2 166 177 A T - 0 0 36 -2,-0.9 -4,-0.0 -4,-0.1 -7,-0.0 -0.910 40.9-142.4-142.3 113.5 -15.8 -43.2 12.0 167 178 A P > - 0 0 94 0, 0.0 4,-2.1 0, 0.0 5,-0.1 -0.091 33.2 -98.8 -63.7 177.4 -17.3 -41.0 9.3 168 179 A M H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.982 118.5 56.1 -62.7 -59.5 -15.1 -39.3 6.7 169 180 A L H > S+ 0 0 141 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.815 113.4 42.7 -43.9 -40.7 -14.8 -35.9 8.3 170 181 A E H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.878 109.6 55.6 -78.6 -41.6 -13.4 -37.5 11.5 171 182 A A H X S+ 0 0 2 -4,-2.1 4,-1.3 -3,-0.3 -2,-0.2 0.900 110.3 47.4 -52.1 -44.3 -11.2 -39.9 9.7 172 183 A F H X S+ 0 0 68 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.738 106.1 58.4 -72.0 -24.2 -9.6 -36.9 7.9 173 184 A R H X S+ 0 0 107 -4,-0.8 4,-1.1 -5,-0.4 -1,-0.2 0.859 105.4 49.0 -74.3 -32.4 -9.3 -35.1 11.2 174 185 A E H X S+ 0 0 52 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.806 106.6 56.9 -74.0 -26.3 -7.2 -38.0 12.5 175 186 A A H X S+ 0 0 6 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.903 103.3 53.7 -67.8 -39.6 -5.1 -37.7 9.3 176 187 A D H X S+ 0 0 18 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.877 109.9 49.5 -55.3 -36.5 -4.5 -34.1 10.3 177 188 A N H X S+ 0 0 29 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.817 108.3 49.7 -80.0 -30.9 -3.2 -35.3 13.6 178 189 A V H X S+ 0 0 12 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.923 111.4 50.4 -72.5 -41.8 -0.9 -38.0 12.2 179 190 A L H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.932 111.2 49.1 -56.5 -47.3 0.6 -35.4 9.9 180 191 A R H X S+ 0 0 32 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.886 109.9 51.4 -58.8 -42.3 1.1 -33.1 13.0 181 192 A Q H X S+ 0 0 16 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.877 108.0 52.4 -64.6 -37.9 2.7 -35.9 14.9 182 193 A G H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.934 116.6 38.7 -62.4 -48.1 5.2 -36.6 12.0 183 194 A V H >X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 3,-1.0 0.966 120.4 44.5 -64.7 -56.5 6.2 -33.0 11.9 184 195 A Q H 3X S+ 0 0 20 -4,-2.9 4,-2.6 1,-0.3 5,-0.3 0.883 101.9 65.4 -59.0 -42.9 6.2 -32.4 15.7 185 196 A G H 3< S+ 0 0 3 -4,-2.8 4,-0.3 -5,-0.3 -1,-0.3 0.853 117.0 29.6 -49.4 -34.9 8.0 -35.6 16.5 186 197 A I H XX S+ 0 0 0 -3,-1.0 3,-1.2 -4,-0.8 4,-0.9 0.923 119.8 50.3 -87.7 -56.1 11.0 -34.2 14.7 187 198 A S H 3X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.3 3,-0.4 0.791 102.0 61.6 -60.0 -33.9 10.6 -30.4 15.2 188 199 A D H 3X S+ 0 0 22 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.3 0.859 104.3 49.7 -61.4 -35.7 10.1 -30.6 19.0 189 200 A L H <4 S+ 0 0 6 -3,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.744 121.0 35.1 -71.4 -26.0 13.6 -32.2 19.4 190 201 A I H < S+ 0 0 19 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.704 103.1 67.8-104.3 -29.3 15.3 -29.5 17.3 191 202 A A H < S+ 0 0 34 -4,-3.1 -3,-0.1 1,-0.2 -2,-0.1 0.970 117.1 20.5 -59.7 -53.6 13.3 -26.3 18.1 192 203 A T S < S- 0 0 101 -4,-0.9 -1,-0.2 -5,-0.2 0, 0.0 -0.958 88.7-119.0-114.3 140.0 14.7 -26.3 21.7 193 204 A P - 0 0 82 0, 0.0 5,-0.3 0, 0.0 -1,-0.1 0.824 46.2-149.3 -43.1 -57.9 17.9 -28.3 22.6 194 205 A G - 0 0 37 3,-0.1 92,-0.1 1,-0.1 4,-0.1 -0.085 29.8 -84.5 101.0 157.1 16.5 -30.7 25.2 195 206 A L S S+ 0 0 149 90,-0.4 2,-0.8 1,-0.2 -1,-0.1 0.933 129.6 54.9 -63.0 -47.1 17.8 -32.5 28.3 196 207 A I S S- 0 0 60 89,-0.3 89,-0.3 2,-0.0 -1,-0.2 -0.822 106.0-128.6 -77.5 113.2 19.1 -35.0 25.9 197 208 A N + 0 0 121 -2,-0.8 2,-0.3 87,-0.1 86,-0.2 -0.421 34.8 174.1 -71.2 142.8 21.2 -32.7 23.7 198 209 A L - 0 0 9 -5,-0.3 2,-0.1 -9,-0.2 -2,-0.0 -0.783 5.5-174.4-159.6 97.3 20.4 -33.2 20.0 199 210 A D > - 0 0 89 -2,-0.3 4,-1.5 1,-0.0 3,-0.4 -0.282 43.3 -92.9 -94.1 178.2 21.8 -30.9 17.2 200 211 A F H > S+ 0 0 57 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.834 122.9 57.3 -60.1 -39.7 21.2 -30.7 13.5 201 212 A A H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.850 101.8 55.8 -56.7 -42.0 24.0 -33.1 12.7 202 213 A D H > S+ 0 0 56 -3,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.957 113.8 41.5 -56.7 -47.7 22.4 -35.7 14.8 203 214 A V H >X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 3,-0.7 0.908 108.1 57.3 -69.3 -44.4 19.3 -35.3 12.7 204 215 A K H 3< S+ 0 0 117 -4,-3.4 3,-0.3 1,-0.2 -1,-0.2 0.872 98.0 68.4 -54.5 -32.5 21.1 -35.1 9.3 205 216 A T H 3< S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.922 110.8 28.4 -48.4 -54.0 22.5 -38.5 10.4 206 217 A I H << S+ 0 0 3 -4,-0.8 2,-1.9 -3,-0.7 -1,-0.2 0.569 98.8 96.7 -87.6 -6.3 19.2 -40.3 10.0 207 218 A M < + 0 0 9 -4,-1.3 2,-0.3 -3,-0.3 -1,-0.2 -0.504 51.3 112.7 -89.8 70.1 17.9 -37.9 7.3 208 219 A S + 0 0 82 -2,-1.9 2,-0.8 2,-0.1 -59,-0.2 -0.762 41.8 178.7-143.4 85.0 18.8 -39.9 4.4 209 220 A N + 0 0 15 -61,-2.4 2,-0.4 -2,-0.3 -62,-0.1 -0.879 27.7 147.9-113.9 105.9 15.9 -41.2 2.5 210 221 A K S S+ 0 0 180 -2,-0.8 95,-0.5 95,-0.1 93,-0.3 -0.928 81.6 33.9 -86.3 130.1 16.0 -43.3 -0.6 211 222 A G S S- 0 0 19 -2,-0.4 -61,-0.4 92,-0.1 2,-0.3 0.057 112.3 -69.0 91.3 145.6 12.8 -45.2 0.2 212 223 A S - 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