==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL DIVISION 06-AUG-04 1W5A . COMPND 2 MOLECULE: CELL DIVISION PROTEIN FTSZ HOMOLOG 1; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR M.A.OLIVA,S.C.CORDELL,J.LOWE . 668 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 6.3 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 . 2 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 0.1 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 . 48 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 4 2 0 0 4 0 3 1 3 2 2 2 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 . 0 0 0 2 0 0 4 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 . 2 0 2 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 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 22 A L 0 0 162 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.4 28.6 15.1 -6.3 2 23 A S > - 0 0 43 1,-0.0 4,-2.9 0, 0.0 5,-0.3 -0.537 360.0 -92.5-110.8 176.0 29.3 12.2 -8.6 3 24 A P H > S+ 0 0 102 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.937 126.3 42.0 -53.5 -51.4 29.9 8.5 -8.2 4 25 A E H > S+ 0 0 142 2,-0.2 4,-2.3 3,-0.1 5,-0.1 0.963 119.3 44.4 -60.0 -54.9 33.6 8.9 -8.0 5 26 A D H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.974 109.6 52.8 -54.3 -64.8 33.5 11.9 -5.7 6 27 A K H X S+ 0 0 131 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.828 110.5 51.1 -41.9 -39.9 30.8 10.6 -3.3 7 28 A E H X S+ 0 0 122 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.982 111.1 47.1 -62.0 -56.7 33.0 7.6 -2.9 8 29 A L H X S+ 0 0 102 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.909 109.5 52.8 -50.2 -51.8 36.0 9.7 -2.1 9 30 A L H X S+ 0 0 103 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.917 108.3 50.9 -52.1 -46.9 34.1 11.9 0.3 10 31 A E H X S+ 0 0 138 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.3 0.875 109.2 52.5 -58.5 -37.8 33.0 8.8 2.2 11 32 A Y H X S+ 0 0 161 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.950 106.8 50.6 -62.7 -50.3 36.6 7.7 2.3 12 33 A L H < S+ 0 0 105 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.820 105.4 61.7 -56.1 -32.0 37.6 11.1 3.8 13 34 A Q H < S+ 0 0 144 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.980 108.2 38.3 -57.9 -61.8 34.9 10.4 6.3 14 35 A Q H < S+ 0 0 167 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.1 0.968 116.5 56.0 -54.7 -60.5 36.5 7.3 7.7 15 36 A T < + 0 0 64 -4,-2.2 2,-0.2 -5,-0.1 0, 0.0 -0.187 69.6 133.8 -68.5 168.0 40.1 8.6 7.5 16 37 A K - 0 0 118 2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.867 61.6 -83.1-177.7-149.2 41.0 11.8 9.3 17 38 A A - 0 0 37 -2,-0.2 2,-0.6 2,-0.1 84,-0.1 -0.450 44.6-177.2-146.8 60.8 43.6 13.4 11.5 18 39 A K - 0 0 116 82,-0.2 84,-2.9 25,-0.1 85,-2.0 -0.544 6.7-174.3 -70.1 112.6 42.6 12.4 15.0 19 40 A I E -a 103 0A 6 -2,-0.6 25,-2.6 23,-0.4 2,-0.4 -0.932 7.1-174.0-114.6 131.8 44.9 14.1 17.4 20 41 A T E -ab 104 44A 5 83,-2.2 85,-2.9 -2,-0.5 2,-0.6 -0.987 10.9-155.8-128.0 129.9 44.9 13.5 21.2 21 42 A V E -ab 105 45A 0 23,-3.3 25,-2.6 -2,-0.4 2,-0.5 -0.920 12.8-165.7-105.7 124.5 47.0 15.3 23.8 22 43 A V E -ab 106 46A 2 83,-4.1 85,-3.2 -2,-0.6 2,-0.5 -0.943 4.2-166.0-114.7 123.6 47.6 13.4 27.0 23 44 A G E -ab 107 47A 0 23,-2.6 25,-2.4 -2,-0.5 2,-0.4 -0.922 7.5-162.2-108.7 127.7 49.0 15.0 30.1 24 45 A C E > - b 0 48A 1 83,-2.0 4,-1.0 -2,-0.5 85,-0.5 -0.884 51.5 -2.0-111.2 140.4 50.3 12.8 33.0 25 46 A G H > S- 0 0 6 23,-1.7 4,-3.3 -2,-0.4 5,-0.2 -0.100 104.0 -53.7 75.9 178.8 50.8 13.9 36.6 26 47 A G H > S+ 0 0 21 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.960 138.4 44.3 -57.9 -57.7 50.2 17.3 38.1 27 48 A A H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.950 117.4 48.1 -53.6 -49.2 52.4 19.3 35.7 28 49 A G H X S+ 0 0 0 -4,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.913 113.1 47.1 -57.8 -44.4 50.8 17.3 32.8 29 50 A N H X S+ 0 0 2 -4,-3.3 4,-2.4 1,-0.2 30,-0.3 0.896 109.2 53.8 -64.0 -41.9 47.3 17.9 34.2 30 51 A N H X S+ 0 0 67 -4,-3.4 4,-1.4 1,-0.2 -1,-0.2 0.847 108.9 50.5 -62.5 -33.2 47.9 21.6 34.6 31 52 A T H X S+ 0 0 2 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.932 108.7 50.8 -68.5 -47.1 49.0 21.8 31.0 32 53 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.914 105.7 56.9 -56.0 -46.8 45.9 20.0 29.8 33 54 A T H X S+ 0 0 21 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.913 108.5 46.0 -50.7 -51.1 43.7 22.4 31.8 34 55 A R H X S+ 0 0 61 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.908 112.4 50.2 -60.7 -45.6 45.1 25.4 30.0 35 56 A L H <>S+ 0 0 2 -4,-2.2 5,-1.5 2,-0.2 4,-0.3 0.925 114.4 45.3 -60.7 -43.0 44.8 23.8 26.6 36 57 A K H ><5S+ 0 0 80 -4,-3.0 3,-0.5 23,-0.4 -2,-0.2 0.954 115.9 44.6 -65.8 -50.2 41.2 22.9 27.3 37 58 A M H 3<5S+ 0 0 135 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.916 119.7 40.0 -61.5 -47.6 40.3 26.3 28.7 38 59 A E T 3<5S- 0 0 95 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.486 117.9-123.7 -79.9 -2.2 42.0 28.3 26.0 39 60 A G T < 5 - 0 0 44 -3,-0.5 -3,-0.2 -4,-0.3 2,-0.2 0.987 17.8-139.2 59.1 84.5 40.7 25.7 23.6 40 61 A I > < - 0 0 17 -5,-1.5 3,-0.7 1,-0.1 2,-0.2 -0.466 31.2-105.2 -70.3 139.8 43.4 23.9 21.6 41 62 A E T 3 S- 0 0 77 1,-0.2 165,-0.1 -2,-0.2 166,-0.1 -0.442 82.3 -13.7 -76.9 136.2 42.3 23.4 18.0 42 63 A G T 3 S+ 0 0 55 -2,-0.2 -23,-0.4 1,-0.1 2,-0.3 0.810 105.2 110.9 47.1 41.7 41.3 20.0 16.5 43 64 A A < - 0 0 18 -3,-0.7 2,-0.3 -25,-0.1 -23,-0.2 -0.994 61.0-135.3-147.8 137.8 42.6 18.0 19.4 44 65 A K E -b 20 0A 82 -25,-2.6 -23,-3.3 -2,-0.3 2,-0.4 -0.672 23.7-140.4 -88.1 142.3 41.1 15.9 22.2 45 66 A T E -b 21 0A 1 -2,-0.3 17,-1.2 -25,-0.2 16,-0.4 -0.894 18.2-176.9-110.1 135.3 42.5 16.4 25.7 46 67 A V E -bc 22 62A 1 -25,-2.6 -23,-2.6 -2,-0.4 2,-0.4 -0.990 5.8-165.4-131.5 126.0 43.1 13.6 28.2 47 68 A A E -bc 23 63A 0 15,-2.6 17,-2.5 -2,-0.4 2,-0.4 -0.919 8.9-178.5-112.1 134.1 44.3 14.0 31.8 48 69 A I E +bc 24 64A 1 -25,-2.4 -23,-1.7 -2,-0.4 2,-0.3 -0.991 12.4 145.9-132.8 141.4 45.6 11.0 33.8 49 70 A N E - c 0 65A 0 15,-1.6 17,-2.2 -2,-0.4 24,-0.1 -0.982 47.7-136.9-163.6 164.6 46.9 10.9 37.3 50 71 A T S S+ 0 0 0 -2,-0.3 2,-0.9 15,-0.2 -1,-0.1 0.714 90.5 83.4 -95.0 -31.5 47.0 8.8 40.5 51 72 A D > - 0 0 5 1,-0.2 4,-2.1 -3,-0.1 23,-0.2 -0.641 62.4-168.4 -77.2 102.4 46.2 11.9 42.6 52 73 A A H > S+ 0 0 0 21,-2.1 4,-2.6 -2,-0.9 5,-0.2 0.846 84.9 58.4 -61.3 -34.8 42.4 12.1 42.5 53 74 A Q H > S+ 0 0 42 20,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.934 108.3 43.4 -62.0 -46.4 42.5 15.6 44.0 54 75 A Q H 4 S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.916 115.4 50.7 -65.4 -40.3 44.7 17.0 41.3 55 76 A L H >< S+ 0 0 1 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.856 104.7 55.2 -65.7 -37.9 42.6 15.3 38.7 56 77 A I H 3< S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.847 110.0 46.9 -66.4 -32.3 39.2 16.6 40.0 57 78 A R T 3< S+ 0 0 104 -4,-1.3 -1,-0.3 -5,-0.2 2,-0.2 0.389 98.0 95.9 -89.1 4.9 40.5 20.2 39.7 58 79 A T < - 0 0 7 -3,-1.1 2,-0.5 -4,-0.1 -28,-0.1 -0.638 67.4-141.4 -92.9 151.0 41.8 19.5 36.2 59 80 A K + 0 0 106 -30,-0.3 -23,-0.4 -2,-0.2 2,-0.3 -0.967 39.2 131.2-118.3 122.3 39.8 20.3 33.1 60 81 A A - 0 0 11 -2,-0.5 -14,-0.1 -24,-0.1 3,-0.1 -0.983 65.7-107.5-160.6 161.2 39.9 17.9 30.1 61 82 A D S S+ 0 0 77 -16,-0.4 2,-0.3 -2,-0.3 -15,-0.2 0.795 109.2 14.6 -63.7 -27.6 37.7 16.1 27.6 62 83 A K E -c 46 0A 60 -17,-1.2 -15,-2.6 -3,-0.0 2,-0.4 -0.995 66.5-161.9-150.1 143.4 38.5 12.9 29.5 63 84 A K E -c 47 0A 13 -2,-0.3 2,-0.5 -17,-0.2 -15,-0.2 -0.993 2.6-168.1-129.6 135.2 40.0 12.0 32.8 64 85 A I E -c 48 0A 0 -17,-2.5 -15,-1.6 -2,-0.4 2,-1.0 -0.950 11.2-153.8-126.1 111.5 41.5 8.7 33.9 65 86 A L E -c 49 0A 6 -2,-0.5 3,-0.4 -17,-0.2 2,-0.2 -0.735 25.5-163.5 -82.8 107.5 42.3 8.0 37.5 66 87 A I + 0 0 0 -17,-2.2 21,-0.2 -2,-1.0 20,-0.1 -0.648 60.6 30.3 -95.8 153.6 45.1 5.4 37.2 67 88 A G >> + 0 0 0 19,-1.0 4,-4.3 -2,-0.2 5,-0.9 0.820 64.1 156.6 74.6 32.9 46.4 3.1 40.0 68 89 A K H >5S+ 0 0 77 -3,-0.4 4,-1.5 1,-0.2 6,-0.1 0.950 80.0 37.3 -52.9 -55.7 43.1 2.9 41.9 69 90 A K H 45S+ 0 0 185 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.675 125.3 43.8 -70.9 -17.9 44.0 -0.4 43.5 70 91 A L H 45S+ 0 0 71 -3,-0.1 -2,-0.2 16,-0.1 -1,-0.2 0.862 130.0 15.0 -96.2 -42.8 47.6 0.7 43.8 71 92 A T H ><5S- 0 0 11 -4,-4.3 3,-1.4 -5,-0.1 -3,-0.2 0.517 84.8-136.5-112.1 -7.5 47.5 4.3 45.1 72 93 A R T 3< - 0 0 13 -25,-0.0 3,-1.8 4,-0.0 6,-0.2 0.398 38.3-129.6 -95.2 0.2 53.0 8.4 43.8 77 98 A G T 3 S- 0 0 29 1,-0.3 -2,-0.0 5,-0.1 -3,-0.0 0.768 71.2 -53.4 56.7 28.1 55.0 10.4 46.3 78 99 A G T 3 S+ 0 0 20 1,-0.2 -1,-0.3 2,-0.0 3,-0.1 0.519 102.4 134.9 86.5 6.2 57.9 10.8 43.7 79 100 A N X> - 0 0 72 -3,-1.8 4,-1.5 1,-0.2 3,-1.4 -0.756 39.9-164.6 -93.2 99.1 58.2 7.1 43.1 80 101 A P H 3> S+ 0 0 17 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.818 88.1 61.1 -50.5 -33.4 58.4 6.5 39.3 81 102 A K H 3> S+ 0 0 158 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.854 100.4 53.0 -64.5 -34.9 57.7 2.8 39.8 82 103 A I H <> S+ 0 0 47 -3,-1.4 4,-3.3 1,-0.2 5,-0.2 0.954 108.7 49.5 -64.7 -48.5 54.3 3.6 41.3 83 104 A G H X S+ 0 0 0 -4,-1.5 4,-1.8 30,-0.4 -1,-0.2 0.825 113.5 47.7 -59.0 -32.5 53.4 5.7 38.3 84 105 A E H X S+ 0 0 51 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.955 114.0 44.0 -72.9 -53.5 54.5 2.9 36.1 85 106 A E H X S+ 0 0 104 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.934 113.9 52.6 -56.1 -47.0 52.6 0.2 37.9 86 107 A A H X S+ 0 0 0 -4,-3.3 4,-1.6 -5,-0.2 -19,-1.0 0.920 110.5 46.4 -56.3 -47.0 49.6 2.4 38.1 87 108 A A H < S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 7,-0.2 0.896 112.1 51.5 -64.2 -39.6 49.6 3.1 34.4 88 109 A K H >< S+ 0 0 103 -4,-2.7 3,-1.4 1,-0.2 4,-0.3 0.902 106.2 54.7 -62.8 -40.8 50.0 -0.6 33.7 89 110 A E H 3< S+ 0 0 72 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.879 115.0 39.9 -59.6 -38.0 47.0 -1.3 35.9 90 111 A S T 3X S+ 0 0 10 -4,-1.6 4,-2.5 -5,-0.2 3,-0.3 0.126 76.9 122.6-101.1 21.7 44.9 1.1 33.8 91 112 A A H <> S+ 0 0 31 -3,-1.4 4,-3.0 1,-0.2 5,-0.2 0.891 74.2 51.8 -48.0 -48.2 46.3 0.1 30.5 92 113 A E H > S+ 0 0 144 -3,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.912 110.8 46.6 -58.4 -44.7 42.9 -0.8 29.1 93 114 A E H > S+ 0 0 70 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.894 113.8 48.1 -65.9 -39.8 41.3 2.5 30.2 94 115 A I H X S+ 0 0 3 -4,-2.5 4,-2.0 -7,-0.2 5,-0.2 0.953 110.9 51.3 -64.4 -49.0 44.3 4.5 28.7 95 116 A K H X S+ 0 0 73 -4,-3.0 4,-1.1 -5,-0.2 3,-0.2 0.924 109.5 50.2 -53.2 -48.7 44.0 2.4 25.4 96 117 A A H < S+ 0 0 68 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.903 108.9 53.8 -57.6 -41.8 40.3 3.2 25.2 97 118 A A H < S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.851 120.0 29.6 -62.9 -38.0 41.0 6.9 25.7 98 119 A I H >< S+ 0 0 0 -4,-2.0 3,-1.4 -3,-0.2 -1,-0.2 0.337 87.8 131.6-107.6 8.0 43.5 7.2 22.9 99 120 A Q T 3< S+ 0 0 71 -4,-1.1 3,-0.1 -3,-0.4 27,-0.0 -0.292 72.9 20.4 -59.7 141.3 42.1 4.5 20.6 100 121 A D T 3 S+ 0 0 127 1,-0.3 2,-0.3 29,-0.2 -1,-0.3 0.645 88.1 144.5 72.8 15.4 41.7 5.6 17.0 101 122 A S < - 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0 0 19 -4,-0.5 -29,-0.2 -3,-0.3 3,-0.2 -0.792 56.0-154.3-114.3 157.5 58.4 7.5 21.1 164 185 A D S S+ 0 0 15 -31,-3.1 62,-1.9 1,-0.4 61,-0.6 0.775 94.8 10.8 -92.9 -34.4 58.8 8.5 17.5 165 186 A T E -ef 134 226A 1 -32,-1.4 -30,-2.2 60,-0.2 2,-0.6 -0.973 68.2-164.4-145.6 129.6 59.9 12.0 18.5 166 187 A L E -ef 135 227A 0 60,-3.2 62,-2.7 -2,-0.3 2,-0.5 -0.892 6.1-161.9-120.6 99.5 60.7 13.1 22.0 167 188 A V E -ef 136 228A 1 -32,-3.3 -30,-2.5 -2,-0.6 2,-0.5 -0.707 10.6-165.1 -83.4 122.8 60.8 16.9 22.6 168 189 A V E -e 137 0A 0 60,-2.9 62,-0.4 -2,-0.5 -30,-0.2 -0.944 9.2-168.8-115.8 127.0 62.7 17.8 25.8 169 190 A I E -e 138 0A 1 -32,-2.6 -30,-2.1 -2,-0.5 2,-1.0 -0.945 15.0-146.0-115.4 112.7 62.6 21.2 27.5 170 191 A P E > -e 139 0A 18 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.683 4.8-160.1 -82.5 104.4 65.2 21.9 30.2 171 192 A N G > S+ 0 0 7 -32,-1.6 3,-2.4 -2,-1.0 4,-0.4 0.826 86.4 68.5 -50.5 -37.9 63.5 24.1 32.8 172 193 A E G > S+ 0 0 68 -32,-0.5 3,-1.5 1,-0.3 -1,-0.3 0.826 90.6 61.7 -52.7 -35.2 66.9 25.2 34.2 173 194 A K G X> S+ 0 0 34 -3,-1.7 3,-1.5 1,-0.3 4,-0.9 0.662 83.2 80.5 -67.4 -16.2 67.6 27.1 30.9 174 195 A L H <> S+ 0 0 1 -3,-2.4 4,-2.0 -4,-0.4 3,-0.5 0.825 84.0 61.5 -59.8 -29.4 64.5 29.2 31.7 175 196 A F H <4 S+ 0 0 47 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.723 98.8 56.0 -69.8 -20.3 66.8 31.2 34.1 176 197 A E H <4 S+ 0 0 119 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.744 107.2 49.0 -81.2 -24.9 69.0 32.1 31.1 177 198 A I H < S+ 0 0 79 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.1 0.892 129.4 19.5 -79.1 -43.6 66.0 33.6 29.3 178 199 A V S >< S- 0 0 41 -4,-2.0 3,-1.0 1,-0.1 -1,-0.3 -0.755 72.0-180.0-131.7 85.5 64.8 35.7 32.3 179 200 A P T 3 S+ 0 0 102 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.865 80.7 49.3 -49.1 -53.3 67.8 36.1 34.7 180 201 A N T 3 S+ 0 0 143 2,-0.0 -5,-0.0 0, 0.0 0, 0.0 -0.164 80.4 148.5 -86.7 42.3 66.0 38.2 37.4 181 202 A M < - 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0 0 20 2,-0.0 -1,-0.2 3,-0.0 5,-0.1 -0.966 31.2-118.0-123.5 132.4 55.4 37.4 80.9 516 203 B P > - 0 0 79 0, 0.0 4,-1.7 0, 0.0 -1,-0.0 -0.195 30.5-105.5 -64.3 158.5 53.5 36.4 84.1 517 204 B L H >> S+ 0 0 112 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.951 120.1 42.0 -48.5 -61.3 53.2 32.8 85.3 518 205 B K H 3> S+ 0 0 132 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.916 113.1 51.7 -54.3 -51.6 49.6 32.4 84.2 519 206 B L H 3> S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.738 101.0 66.0 -59.7 -24.5 50.0 34.2 80.9 520 207 B A H X S+ 0 0 0 -4,-3.3 3,-1.9 1,-0.2 4,-1.6 0.956 113.7 47.3 -60.6 -53.0 46.3 18.5 61.0 537 224 B E H 3X S+ 0 0 15 -4,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.694 98.5 70.9 -65.0 -16.5 44.1 20.9 58.9 538 225 B L H 3< S+ 0 0 4 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.816 111.2 33.0 -66.2 -26.0 47.0 21.2 56.4 539 226 B I H << S+ 0 0 22 -3,-1.9 -2,-0.2 -4,-0.6 -1,-0.2 0.739 129.8 33.0 -98.7 -29.2 46.0 17.7 55.5 540 227 B T H < S+ 0 0 30 -4,-1.6 2,-0.4 -165,-0.1 -3,-0.2 0.621 95.4 87.4-107.0 -18.2 42.2 17.7 56.1 541 228 B K S < S- 0 0 44 -4,-2.4 2,-0.2 -5,-0.2 0, 0.0 -0.711 77.2-119.9 -91.9 135.3 41.0 21.2 55.2 542 229 B D + 0 0 129 -2,-0.4 94,-0.4 4,-0.1 2,-0.2 -0.538 46.4 169.8 -68.6 132.1 40.1 22.1 51.7 543 230 B G - 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