==== 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 TRANSFERASE 01-MAY-09 3HA5 . COMPND 2 MOLECULE: METHOXY MYCOLIC ACID SYNTHASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.BOISSIER,J.VAUBOURGEIX,S.JULIEN,L.MOUREY . 282 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.0 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 . 11 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 1 0 0 2 1 1 1 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 3 0 0 0 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 0 1 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 0 0 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 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 21 A I 0 0 121 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -36.8 44.3 -18.5 20.0 2 22 A Q + 0 0 72 1,-0.2 3,-0.5 2,-0.2 0, 0.0 0.773 360.0 57.3 -77.9 -28.2 41.7 -16.1 18.7 3 23 A A S > S+ 0 0 73 1,-0.2 3,-0.7 2,-0.1 -1,-0.2 0.550 92.0 71.9 -75.2 -12.5 40.9 -18.8 16.0 4 24 A H T 3 S+ 0 0 133 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.851 95.1 49.6 -73.0 -36.1 40.1 -21.3 18.8 5 25 A Y T 3 S+ 0 0 64 -3,-0.5 2,-0.3 -4,-0.4 -1,-0.2 0.223 86.2 113.8 -92.2 11.9 36.9 -19.7 19.8 6 26 A D < - 0 0 121 -3,-0.7 2,-0.3 0, 0.0 -3,-0.0 -0.695 48.3-170.6 -77.4 134.2 35.7 -19.6 16.1 7 27 A V - 0 0 28 -2,-0.3 2,-0.1 240,-0.0 236,-0.1 -0.929 25.2 -95.7-129.5 154.5 32.7 -21.9 15.5 8 28 A S >> - 0 0 47 -2,-0.3 3,-1.9 234,-0.2 4,-1.0 -0.355 27.8-119.2 -72.8 148.8 31.0 -23.1 12.3 9 29 A D H 3> S+ 0 0 45 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.750 110.3 67.0 -53.2 -29.1 27.9 -21.3 10.8 10 30 A D H 34 S+ 0 0 107 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.696 95.1 56.1 -72.0 -21.0 26.0 -24.6 11.2 11 31 A F H X4 S+ 0 0 0 -3,-1.9 3,-1.9 2,-0.2 4,-0.2 0.946 107.7 46.9 -71.2 -51.3 26.1 -24.4 15.0 12 32 A F H >X S+ 0 0 23 -4,-1.0 4,-2.6 1,-0.3 3,-2.0 0.848 102.2 65.5 -59.6 -34.8 24.5 -21.0 15.0 13 33 A A T 3< S+ 0 0 62 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.643 91.7 67.2 -59.7 -15.8 21.9 -22.2 12.6 14 34 A L T <4 S+ 0 0 28 -3,-1.9 -1,-0.3 -4,-0.1 221,-0.2 0.543 116.7 18.6 -86.3 -9.0 20.8 -24.5 15.4 15 35 A F T <4 S+ 0 0 2 -3,-2.0 -2,-0.2 -4,-0.2 216,-0.2 0.598 107.4 82.5-128.1 -23.4 19.5 -21.7 17.6 16 36 A Q S < S- 0 0 18 -4,-2.6 6,-0.1 1,-0.1 19,-0.1 -0.323 78.2-105.6 -80.5 161.7 19.0 -18.6 15.4 17 37 A D > - 0 0 15 4,-0.3 3,-1.9 17,-0.1 -1,-0.1 -0.204 45.7 -87.3 -71.2 172.7 16.0 -17.8 13.3 18 38 A P T 3 S+ 0 0 97 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.781 126.0 61.5 -55.7 -32.2 15.9 -18.1 9.4 19 39 A T T 3 S- 0 0 10 2,-0.1 47,-0.3 1,-0.1 45,-0.2 0.607 102.1-133.6 -67.1 -14.9 17.3 -14.5 9.0 20 40 A R < + 0 0 57 -3,-1.9 2,-0.3 1,-0.2 44,-0.2 0.758 41.5 170.0 65.0 27.0 20.5 -15.5 10.9 21 41 A T - 0 0 4 262,-0.1 2,-0.4 1,-0.1 -4,-0.3 -0.569 20.4-167.3 -75.3 131.8 20.3 -12.4 13.0 22 42 A Y + 0 0 30 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 -0.598 57.3 69.8-122.5 59.6 22.7 -12.6 15.8 23 43 A S S S- 0 0 0 -2,-0.4 2,-0.1 134,-0.0 -2,-0.0 -0.963 94.9 -53.1-166.7 166.1 21.5 -9.7 18.0 24 44 A C - 0 0 0 -2,-0.3 197,-0.1 1,-0.1 -2,-0.1 -0.278 51.9-144.7 -56.9 123.5 18.6 -8.6 20.2 25 45 A A - 0 0 0 195,-0.4 2,-0.5 196,-0.1 13,-0.2 -0.265 11.4-124.5 -75.0 174.8 15.2 -8.9 18.6 26 46 A Y - 0 0 48 11,-2.0 2,-1.7 8,-0.2 14,-0.2 -0.870 13.4-161.3-131.6 101.0 12.3 -6.5 19.2 27 47 A F + 0 0 9 -2,-0.5 10,-0.1 13,-0.1 7,-0.1 -0.571 26.1 165.7 -84.4 75.8 9.0 -8.1 20.4 28 48 A E S S+ 0 0 102 -2,-1.7 -2,-0.1 1,-0.3 192,-0.0 -0.916 78.0 26.2-132.7 108.8 6.6 -5.3 19.6 29 49 A P S > S- 0 0 57 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 0.630 103.0-128.9 -71.9 163.9 3.9 -6.4 19.7 30 50 A P T 3 S+ 0 0 67 0, 0.0 -2,-0.1 0, 0.0 7,-0.1 0.693 99.6 67.7 -58.2 -20.2 4.9 -9.1 22.2 31 51 A E T 3 S+ 0 0 154 -4,-0.0 -4,-0.0 2,-0.0 6,-0.0 0.475 71.6 119.3 -82.5 -7.4 3.3 -11.9 20.2 32 52 A L < - 0 0 37 -3,-1.7 2,-0.1 1,-0.1 -5,-0.0 -0.250 67.2-117.8 -55.3 145.2 5.8 -11.7 17.2 33 53 A T > - 0 0 70 1,-0.1 4,-3.0 -6,-0.0 5,-0.2 -0.433 33.2 -99.5 -73.6 162.1 7.8 -14.8 16.5 34 54 A L H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -8,-0.2 0.944 126.8 49.6 -46.5 -55.8 11.6 -14.5 16.9 35 55 A E H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.900 113.2 46.4 -53.1 -45.4 12.0 -14.1 13.1 36 56 A E H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 111.5 51.1 -64.4 -41.3 9.3 -11.4 13.1 37 57 A A H X S+ 0 0 0 -4,-3.0 -11,-2.0 2,-0.2 4,-1.7 0.764 103.9 58.5 -69.4 -29.4 10.9 -9.6 16.0 38 58 A Q H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.919 109.6 44.4 -63.6 -44.0 14.2 -9.7 14.2 39 59 A Y H X S+ 0 0 58 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.866 110.0 54.4 -63.8 -42.6 12.6 -7.7 11.4 40 60 A A H X S+ 0 0 19 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.857 109.2 50.0 -59.9 -33.2 10.9 -5.4 13.8 41 61 A K H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.910 108.7 50.4 -71.2 -44.0 14.4 -4.7 15.3 42 62 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 3,-0.3 0.973 114.5 44.7 -55.0 -52.7 15.8 -4.0 11.9 43 63 A D H X S+ 0 0 32 -4,-3.0 4,-3.5 1,-0.2 5,-0.3 0.911 107.7 58.3 -57.1 -45.7 12.9 -1.5 11.3 44 64 A L H < S+ 0 0 27 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.887 112.8 40.3 -51.8 -42.7 13.3 -0.0 14.7 45 65 A N H >< S+ 0 0 0 -4,-2.1 3,-1.1 -3,-0.3 -2,-0.2 0.960 118.2 45.2 -70.4 -51.8 16.9 0.9 13.8 46 66 A L H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 5,-0.4 0.856 103.9 62.8 -65.5 -36.1 16.3 2.0 10.2 47 67 A D T 3< S+ 0 0 91 -4,-3.5 3,-0.5 1,-0.3 -1,-0.3 0.727 99.8 56.1 -62.9 -21.3 13.2 4.1 11.1 48 68 A K T < S+ 0 0 65 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.508 93.0 73.7 -84.5 -7.9 15.4 6.3 13.3 49 69 A L S < S- 0 0 0 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.427 92.6-129.0 -95.8 -2.3 17.8 7.1 10.4 50 70 A D - 0 0 41 -3,-0.5 2,-0.4 -4,-0.2 -3,-0.1 0.955 38.2-174.7 55.4 50.1 15.8 9.5 8.2 51 71 A L - 0 0 18 -5,-0.4 -1,-0.2 4,-0.0 -2,-0.0 -0.713 6.7-172.3 -83.1 129.1 16.5 7.5 5.1 52 72 A K > - 0 0 121 -2,-0.4 3,-2.0 1,-0.1 23,-0.1 -0.831 39.4 -80.5-117.8 150.9 15.3 9.0 1.8 53 73 A P T 3 S+ 0 0 92 0, 0.0 24,-0.3 0, 0.0 23,-0.2 -0.250 116.3 25.5 -53.7 137.0 15.3 7.2 -1.6 54 74 A G T 3 S+ 0 0 30 22,-2.5 23,-0.2 1,-0.3 22,-0.1 0.309 90.5 127.5 92.6 -11.2 18.7 7.4 -3.3 55 75 A M < - 0 0 24 -3,-2.0 23,-3.0 20,-0.2 2,-0.5 -0.239 59.9-122.8 -64.3 160.6 20.8 7.7 -0.1 56 76 A T E -a 78 0A 26 21,-0.2 64,-2.4 -3,-0.1 65,-1.4 -0.976 23.9-161.1-109.2 119.6 23.6 5.4 0.7 57 77 A L E -ab 79 121A 0 21,-2.7 23,-1.8 -2,-0.5 2,-0.5 -0.851 4.2-151.2 -99.3 135.0 23.3 3.4 3.9 58 78 A L E -ab 80 122A 1 63,-2.6 65,-2.9 -2,-0.4 2,-0.7 -0.916 2.6-160.2-102.1 125.6 26.4 1.8 5.6 59 79 A D E -ab 81 123A 0 21,-2.9 23,-2.2 -2,-0.5 2,-0.9 -0.918 7.6-156.1-106.3 108.9 25.9 -1.3 7.7 60 80 A I E S+a 82 0A 6 63,-2.5 65,-0.2 -2,-0.7 67,-0.2 -0.751 84.2 9.8 -85.3 106.2 28.9 -1.7 10.0 61 81 A G S S- 0 0 2 21,-1.8 64,-0.3 -2,-0.9 -1,-0.2 0.870 80.1-176.3 90.5 64.7 29.1 -5.4 10.9 62 82 A C > - 0 0 3 20,-2.2 3,-2.1 -3,-0.4 5,-0.3 0.466 6.5-169.4 -86.4 2.1 26.5 -6.5 8.4 63 83 A G T 3 - 0 0 0 19,-0.3 -1,-0.2 1,-0.3 29,-0.2 -0.267 68.0 -13.2 49.8-123.3 26.3 -10.2 9.3 64 84 A W T 3 S- 0 0 18 -44,-0.2 -1,-0.3 -45,-0.2 31,-0.1 0.218 100.2-101.6 -95.0 8.7 24.2 -12.2 6.8 65 85 A G S <> S+ 0 0 1 -3,-2.1 4,-2.3 -45,-0.1 5,-0.2 0.433 81.6 125.4 98.2 3.0 22.7 -9.2 5.0 66 86 A T H > S+ 0 0 15 -47,-0.3 4,-2.7 2,-0.2 5,-0.2 0.905 76.7 49.4 -65.5 -45.3 19.2 -9.0 6.4 67 87 A T H > S+ 0 0 5 -5,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.951 112.5 48.2 -58.1 -51.0 19.5 -5.4 7.5 68 88 A M H > S+ 0 0 0 -6,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.928 113.3 46.6 -56.1 -47.1 20.9 -4.3 4.1 69 89 A R H X S+ 0 0 87 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.933 111.1 51.7 -65.0 -44.3 18.2 -6.1 2.1 70 90 A R H X S+ 0 0 59 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.855 110.2 50.7 -58.7 -36.2 15.4 -4.7 4.3 71 91 A A H X>S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.7 0.927 110.0 47.7 -68.3 -47.2 16.8 -1.2 3.8 72 92 A V H X5S+ 0 0 5 -4,-2.6 4,-2.2 3,-0.2 -2,-0.2 0.976 117.0 45.1 -53.6 -50.0 16.9 -1.5 0.0 73 93 A E H <5S+ 0 0 117 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.890 122.9 32.2 -65.1 -44.7 13.4 -2.9 -0.0 74 94 A R H <5S+ 0 0 103 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.835 133.0 25.8 -81.9 -32.1 11.8 -0.4 2.4 75 95 A F H <5S- 0 0 33 -4,-2.5 -20,-0.2 -5,-0.3 -3,-0.2 0.570 89.5-129.6-118.4 -12.2 13.7 2.7 1.7 76 96 A D << + 0 0 65 -4,-2.2 -22,-2.5 -5,-0.7 2,-0.3 0.949 57.9 147.1 56.2 54.4 15.0 2.4 -1.9 77 97 A V - 0 0 0 -6,-0.5 -1,-0.2 -24,-0.3 -21,-0.2 -0.799 53.8-112.3-111.4 153.2 18.5 3.2 -0.8 78 98 A N E -a 56 0A 24 -23,-3.0 -21,-2.7 -2,-0.3 2,-0.3 -0.523 41.3-154.9 -69.8 155.2 22.0 2.1 -2.0 79 99 A V E -ac 57 105A 0 25,-2.0 27,-1.3 -23,-0.2 2,-0.3 -0.971 22.6-174.2-139.6 156.6 23.8 0.0 0.6 80 100 A I E -ac 58 106A 16 -23,-1.8 -21,-2.9 -2,-0.3 2,-0.4 -0.972 13.7-165.8-146.5 134.2 27.3 -1.0 1.6 81 101 A G E -ac 59 107A 0 25,-1.8 27,-2.9 -2,-0.3 2,-0.4 -0.927 7.4-152.5-128.7 146.7 28.0 -3.5 4.3 82 102 A L E +ac 60 108A 2 -23,-2.2 -20,-2.2 -2,-0.4 -21,-1.8 -0.976 21.9 164.7-122.1 130.2 31.2 -4.3 6.1 83 103 A T E - c 0 109A 1 25,-2.0 27,-1.1 -2,-0.4 -2,-0.0 -0.977 36.8-149.6-144.6 154.0 32.0 -7.7 7.5 84 104 A L S S+ 0 0 107 -2,-0.3 2,-0.4 25,-0.2 25,-0.1 0.542 76.9 86.6 -98.6 -9.4 34.9 -9.6 8.8 85 105 A S > - 0 0 32 1,-0.1 4,-2.6 25,-0.1 5,-0.1 -0.804 61.5-155.0 -99.1 129.7 33.6 -13.1 7.7 86 106 A K H > S+ 0 0 62 -2,-0.4 4,-3.0 2,-0.2 5,-0.2 0.882 99.4 53.2 -66.1 -36.3 34.3 -14.5 4.2 87 107 A N H > S+ 0 0 96 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.944 110.4 45.6 -65.5 -47.3 31.2 -16.7 4.5 88 108 A Q H > S+ 0 0 17 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.911 111.9 54.8 -57.3 -42.0 29.0 -13.7 5.4 89 109 A H H X S+ 0 0 38 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.958 110.6 43.4 -57.3 -52.4 30.7 -11.8 2.6 90 110 A A H X S+ 0 0 41 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.934 117.0 45.8 -62.2 -49.1 29.8 -14.5 0.0 91 111 A R H X S+ 0 0 109 -4,-2.9 4,-2.6 1,-0.2 3,-0.3 0.935 110.8 53.4 -57.4 -47.5 26.2 -15.0 1.3 92 112 A C H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.3 5,-0.3 0.915 104.2 56.7 -54.0 -44.3 25.6 -11.2 1.5 93 113 A E H X S+ 0 0 107 -4,-2.3 4,-3.0 -5,-0.3 -1,-0.3 0.930 110.5 44.1 -53.2 -46.1 26.7 -10.9 -2.2 94 114 A Q H X S+ 0 0 129 -4,-1.5 4,-1.3 -3,-0.3 -2,-0.2 0.910 113.3 49.7 -67.2 -44.5 24.0 -13.4 -3.1 95 115 A V H < S+ 0 0 13 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.888 116.3 43.5 -58.4 -43.1 21.3 -11.8 -1.0 96 116 A L H >< S+ 0 0 5 -4,-3.1 3,-1.3 -5,-0.2 -2,-0.2 0.915 110.0 52.8 -75.0 -44.9 22.2 -8.4 -2.5 97 117 A A H 3< S+ 0 0 72 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.770 104.1 59.1 -60.6 -26.3 22.5 -9.4 -6.1 98 118 A S T 3< S+ 0 0 94 -4,-1.3 2,-0.3 -5,-0.2 -1,-0.2 0.527 78.9 108.9 -86.2 -9.7 19.0 -11.0 -6.0 99 119 A I S < S- 0 0 14 -3,-1.3 2,-1.4 -4,-0.3 -3,-0.0 -0.521 74.3-127.4 -69.9 133.0 17.1 -7.9 -5.0 100 120 A D + 0 0 167 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.707 67.1 112.3 -84.0 91.8 15.0 -6.4 -7.8 101 121 A T - 0 0 27 -2,-1.4 -28,-0.0 2,-0.1 -29,-0.0 -0.976 67.2-140.8-159.7 150.7 16.4 -2.9 -7.7 102 122 A N S S+ 0 0 174 -2,-0.3 2,-0.1 2,-0.1 -1,-0.0 0.375 73.2 112.7 -86.2 -3.9 18.4 -0.4 -9.7 103 123 A R S S- 0 0 74 -26,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.408 75.9-106.1 -74.6 149.9 20.1 0.7 -6.4 104 124 A S - 0 0 71 -2,-0.1 -25,-2.0 2,-0.0 2,-0.4 -0.419 36.8-172.7 -72.0 145.1 23.8 0.1 -5.8 105 125 A R E +c 79 0A 74 -27,-0.2 2,-0.3 -2,-0.1 -25,-0.2 -0.986 7.9 168.8-148.2 132.7 24.7 -2.7 -3.4 106 126 A Q E -c 80 0A 90 -27,-1.3 -25,-1.8 -2,-0.4 2,-0.4 -0.999 16.8-166.6-151.9 134.3 28.1 -3.6 -2.1 107 127 A V E -c 81 0A 11 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.989 14.6-163.9-122.7 137.6 29.5 -5.8 0.6 108 128 A L E -c 82 0A 35 -27,-2.9 -25,-2.0 -2,-0.4 2,-1.3 -0.974 22.1-135.7-125.9 136.5 33.2 -5.4 1.6 109 129 A L E S+c 83 0A 88 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.747 73.1 86.6 -88.3 88.8 35.3 -7.8 3.6 110 130 A Q S S- 0 0 58 -2,-1.3 -27,-0.2 -27,-1.1 -2,-0.1 -0.954 74.0 -98.1-173.2 164.1 37.0 -5.2 5.9 111 131 A G > - 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0 0 7 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.3 -0.457 51.8-128.7 -77.6 147.6 27.2 14.1 17.7 210 230 A T B -F 275 0A 83 65,-3.6 65,-3.1 -2,-0.1 -1,-0.0 -0.812 28.4-162.0 -83.9 130.6 23.9 15.0 19.4 211 231 A V - 0 0 22 -2,-0.4 63,-0.2 63,-0.2 -6,-0.0 -0.920 3.4-159.5-126.2 105.1 22.8 12.0 21.4 212 232 A P - 0 0 59 0, 0.0 61,-0.2 0, 0.0 63,-0.0 -0.112 50.9 -60.7 -63.6 177.0 19.1 11.7 22.6 213 233 A E - 0 0 183 1,-0.1 0, 0.0 59,-0.1 0, 0.0 -0.478 65.1-116.6 -65.6 122.3 18.2 9.4 25.5 214 234 A P - 0 0 35 0, 0.0 2,-0.6 0, 0.0 58,-0.2 -0.149 21.4-118.0 -59.3 151.9 19.2 5.8 24.6 215 235 A L E -G 271 0A 61 56,-2.5 56,-2.6 2,-0.0 2,-0.4 -0.816 20.7-140.4 -95.0 127.1 16.6 3.1 24.2 216 236 A S E -G 270 0A 53 -2,-0.6 54,-0.2 54,-0.2 4,-0.1 -0.755 19.1-179.3 -81.7 129.1 16.9 0.2 26.6 217 237 A L >> + 0 0 1 52,-3.1 4,-2.3 -2,-0.4 3,-0.5 0.168 40.1 125.3-109.7 15.9 16.2 -3.2 24.9 218 238 A R H 3> S+ 0 0 39 51,-0.4 4,-2.3 1,-0.2 3,-0.1 0.850 73.7 43.6 -45.7 -54.5 16.7 -5.3 28.2 219 239 A P H 3> S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.843 113.3 53.5 -67.7 -31.0 13.3 -7.2 28.2 220 240 A H H <> S+ 0 0 24 -3,-0.5 4,-2.5 2,-0.2 -195,-0.4 0.862 108.3 49.4 -64.2 -36.6 13.6 -7.8 24.5 221 241 A Y H X S+ 0 0 3 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.885 107.5 55.7 -72.1 -35.8 17.0 -9.4 25.0 222 242 A I H X S+ 0 0 40 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.983 110.9 42.8 -53.3 -59.1 15.6 -11.5 27.8 223 243 A K H X S+ 0 0 83 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.941 115.7 51.0 -52.3 -51.0 12.9 -13.0 25.4 224 244 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.899 111.6 45.3 -52.4 -50.4 15.5 -13.3 22.7 225 245 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.793 110.8 54.8 -68.1 -30.3 18.0 -15.2 24.9 226 246 A R H X S+ 0 0 122 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 0.963 112.2 41.8 -68.7 -52.4 15.3 -17.5 26.3 227 247 A I H X S+ 0 0 58 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.902 115.4 51.1 -60.2 -47.2 14.1 -18.6 22.8 228 248 A W H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.928 115.3 42.9 -52.7 -51.3 17.8 -18.9 21.6 229 249 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.968 113.3 49.0 -62.2 -56.9 18.7 -21.1 24.7 230 250 A D H X S+ 0 0 75 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.912 114.7 48.7 -50.4 -43.3 15.5 -23.3 24.7 231 251 A T H X S+ 0 0 48 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.924 111.0 47.5 -65.6 -46.6 16.2 -23.8 20.9 232 252 A L H < S+ 0 0 0 -4,-2.6 7,-0.2 1,-0.2 -2,-0.2 0.916 111.8 51.9 -57.8 -42.9 19.9 -24.7 21.3 233 253 A Q H >< S+ 0 0 105 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.851 108.0 50.9 -63.2 -38.6 19.1 -27.1 24.2 234 254 A S H 3< S+ 0 0 86 -4,-1.8 3,-0.3 -5,-0.3 -1,-0.2 0.793 113.1 45.8 -69.0 -32.2 16.5 -28.9 22.0 235 255 A N T 3X S+ 0 0 49 -4,-1.5 4,-2.8 -221,-0.2 -1,-0.3 0.069 80.3 128.7 -96.3 25.2 19.0 -29.3 19.3 236 256 A K H <> + 0 0 88 -3,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.841 69.9 42.3 -51.7 -51.6 21.7 -30.5 21.8 237 257 A D H > S+ 0 0 128 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.913 115.8 49.6 -67.6 -42.8 22.9 -33.7 20.1 238 258 A K H > S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.909 112.7 50.2 -58.1 -42.0 22.9 -32.1 16.6 239 259 A A H X S+ 0 0 0 -4,-2.8 4,-1.3 -7,-0.2 3,-0.4 0.963 112.4 44.7 -59.2 -53.5 24.9 -29.2 18.2 240 260 A I H < S+ 0 0 49 -4,-2.9 3,-0.4 1,-0.2 -2,-0.2 0.895 109.7 56.8 -60.5 -43.1 27.4 -31.5 19.9 241 261 A E H < S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.855 112.2 40.6 -54.8 -41.0 27.8 -33.6 16.7 242 262 A V H < S- 0 0 75 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.639 140.9 -0.8 -87.9 -18.2 28.8 -30.6 14.6 243 263 A T S < S- 0 0 42 -4,-1.3 2,-0.3 -3,-0.4 -3,-0.2 0.261 102.0 -82.9-130.1-102.3 31.0 -29.0 17.2 244 264 A S > - 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0 0 23 -125,-2.4 3,-2.5 -2,-0.5 -67,-0.1 -0.347 38.5 -99.1 -67.1 157.0 25.1 15.3 13.3 277 297 A P T 3 S+ 0 0 102 0, 0.0 -127,-0.1 0, 0.0 -1,-0.1 0.848 123.7 47.2 -47.7 -41.1 24.4 19.1 13.9 278 298 A G T 3 S+ 0 0 44 -129,-1.3 -128,-0.2 -130,-0.1 -129,-0.1 0.278 82.2 134.8 -87.2 9.9 22.5 19.5 10.7 279 299 A A < - 0 0 22 -3,-2.5 -128,-0.1 -130,-0.2 -129,-0.1 -0.260 64.7 -97.6 -58.1 145.4 20.3 16.4 11.1 280 300 A A 0 0 47 -130,-0.5 -1,-0.1 1,-0.1 -2,-0.0 -0.223 360.0 360.0 -58.6 154.5 16.6 16.8 10.4 281 301 A A 0 0 145 -3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.290 360.0 360.0 -56.0 360.0 14.2 17.5 13.3 282 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 283 302 A X 0 0 50 0, 0.0 -262,-0.1 0, 0.0 -220,-0.1 0.000 360.0 360.0 360.0 360.0 24.4 -8.2 12.5