==== 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 LIGASE 30-APR-09 3H9C . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.SCHMITT,I.C.TANRIKULU,T.H.YOO,M.PANVERT,D.A.TIRRELL,Y.MECH . 544 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 1 0.2 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 . 25 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.5 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 2 2 1 3 1 4 0 1 0 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 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 . 6 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A A 0 0 115 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 6.3 -14.3 -4.0 31.4 2 5 A K - 0 0 84 1,-0.0 39,-2.9 282,-0.0 2,-0.5 -0.359 360.0-132.2 -72.3 155.9 -12.0 -1.9 29.3 3 6 A K E -a 41 0A 66 280,-0.3 282,-3.1 37,-0.2 2,-0.4 -0.970 32.1-178.0-107.3 122.4 -9.9 -3.4 26.5 4 7 A I E -ab 42 285A 0 37,-3.1 39,-2.8 -2,-0.5 2,-0.5 -0.982 20.9-167.2-129.6 126.0 -6.3 -2.1 26.8 5 8 A L E -ab 43 286A 2 280,-3.0 282,-2.8 -2,-0.4 2,-0.4 -0.969 18.4-176.6-107.6 121.3 -3.2 -2.7 24.7 6 9 A V E -ab 44 287A 0 37,-2.8 39,-3.0 -2,-0.5 2,-0.3 -0.966 1.2-177.1-120.4 134.8 -0.1 -1.4 26.4 7 10 A T E -ab 45 288A 0 280,-2.2 282,-2.6 -2,-0.4 2,-0.3 -0.867 17.6-150.8-123.5 158.8 3.5 -1.4 25.0 8 11 A C E - b 0 289A 0 37,-1.0 282,-0.2 -2,-0.3 39,-0.2 -0.884 48.1 -82.8-110.9 160.0 7.0 -0.5 26.0 9 12 A A - 0 0 15 280,-0.9 38,-0.1 -2,-0.3 -1,-0.1 -0.248 53.1-102.6 -57.5 146.8 9.6 0.6 23.5 10 13 A L - 0 0 21 36,-0.1 38,-0.2 38,-0.1 -1,-0.1 -0.614 35.9-123.8 -77.9 118.6 11.2 -2.3 21.7 11 14 A P - 0 0 5 0, 0.0 38,-2.8 0, 0.0 2,-0.1 -0.368 28.5-107.5 -63.1 139.4 14.7 -3.0 23.0 12 15 A Y B > -e 49 0B 83 36,-0.2 3,-0.9 1,-0.1 38,-0.2 -0.441 22.1-133.6 -64.9 136.1 17.5 -2.9 20.4 13 16 A A T 3 S+ 0 0 1 36,-2.4 -1,-0.1 1,-0.2 60,-0.1 0.491 96.0 62.2 -74.7 -4.7 18.8 -6.4 19.7 14 17 A N T 3 S+ 0 0 57 35,-0.2 2,-0.3 2,-0.1 -1,-0.2 -0.053 96.7 59.4-113.2 37.6 22.5 -5.4 19.9 15 18 A G S < S- 0 0 30 -3,-0.9 2,-0.1 3,-0.0 3,-0.1 -0.969 79.7-113.1-154.8 146.0 22.7 -4.3 23.5 16 19 A S - 0 0 25 -2,-0.3 2,-0.3 1,-0.1 -4,-0.1 -0.394 44.2 -93.8 -73.1 153.8 22.1 -5.9 26.9 17 20 A I - 0 0 0 -2,-0.1 323,-2.6 4,-0.1 324,-0.5 -0.504 51.4-178.5 -67.9 131.2 19.2 -4.7 29.1 18 21 A H B > -F 339 0C 48 321,-0.3 4,-1.9 -2,-0.3 3,-0.3 -0.654 45.2 -83.0-123.9-177.3 20.4 -2.1 31.6 19 22 A L H > S+ 0 0 0 319,-2.0 4,-1.6 1,-0.2 320,-0.1 0.745 123.9 60.2 -61.9 -27.5 18.8 -0.0 34.4 20 23 A G H > S+ 0 0 17 2,-0.2 4,-1.3 318,-0.2 3,-0.3 0.937 105.9 45.8 -63.1 -50.5 17.5 2.5 32.0 21 24 A H H > S+ 0 0 42 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.909 109.6 57.8 -53.7 -44.5 15.4 -0.1 30.2 22 25 A M H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.840 97.6 58.8 -63.7 -33.0 14.3 -1.4 33.5 23 26 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.3 -1,-0.2 0.954 111.6 42.3 -56.0 -47.9 12.8 2.0 34.6 24 27 A E H X S+ 0 0 17 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.926 116.7 44.8 -65.3 -47.8 10.5 1.9 31.5 25 28 A H H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.858 114.5 48.9 -71.0 -34.0 9.5 -1.7 31.8 26 29 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.918 110.0 51.8 -68.6 -43.6 8.9 -1.6 35.5 27 30 A Q H X S+ 0 0 2 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.948 114.1 43.7 -57.7 -48.6 6.8 1.6 35.2 28 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.915 112.0 53.3 -62.2 -44.3 4.6 -0.1 32.5 29 32 A D H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.886 106.4 51.7 -61.7 -40.3 4.4 -3.3 34.5 30 33 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.944 113.2 45.6 -59.3 -46.1 3.2 -1.6 37.6 31 34 A W H X S+ 0 0 4 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.931 113.6 48.9 -63.3 -46.5 0.5 0.1 35.6 32 35 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.913 109.9 51.2 -59.3 -47.0 -0.5 -3.0 33.8 33 36 A R H X S+ 0 0 64 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.895 110.5 49.5 -61.3 -39.2 -0.7 -5.1 37.0 34 37 A Y H X S+ 0 0 6 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.935 109.3 51.4 -62.9 -45.9 -3.0 -2.4 38.5 35 38 A Q H <>S+ 0 0 1 -4,-2.6 5,-1.7 1,-0.2 3,-0.4 0.906 109.8 49.9 -59.7 -39.5 -5.3 -2.4 35.4 36 39 A R H ><5S+ 0 0 76 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.893 105.6 57.0 -65.0 -38.2 -5.5 -6.2 35.7 37 40 A M H 3<5S+ 0 0 38 -4,-1.9 472,-0.4 1,-0.3 -1,-0.2 0.801 103.0 55.2 -61.9 -27.7 -6.4 -5.9 39.4 38 41 A R T 3<5S- 0 0 99 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.374 123.2-104.8 -91.0 5.8 -9.4 -3.7 38.4 39 42 A G T < 5 + 0 0 58 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.544 68.7 144.7 93.5 11.0 -10.7 -6.3 36.0 40 43 A H < - 0 0 35 -5,-1.7 2,-0.8 -39,-0.1 -1,-0.2 -0.386 57.6-110.6 -81.2 156.3 -9.8 -4.9 32.6 41 44 A E E -a 3 0A 82 -39,-2.9 -37,-3.1 -2,-0.1 2,-0.4 -0.825 47.7-175.5 -81.8 110.8 -8.8 -6.9 29.6 42 45 A V E -a 4 0A 13 -2,-0.8 2,-0.5 -39,-0.2 -37,-0.2 -0.933 22.3-170.3-117.0 135.9 -5.1 -6.0 29.3 43 46 A N E -a 5 0A 4 -39,-2.8 -37,-2.8 -2,-0.4 2,-0.6 -0.955 8.4-165.3-123.2 109.7 -2.7 -7.0 26.6 44 47 A F E -a 6 0A 0 -2,-0.5 45,-2.8 43,-0.2 46,-1.5 -0.880 18.8-175.0-101.8 113.5 0.9 -6.0 27.5 45 48 A I E +ac 7 90A 0 -39,-3.0 -37,-1.0 -2,-0.6 2,-0.3 -0.885 15.7 145.6-123.2 133.6 3.0 -6.2 24.3 46 49 A C E + c 0 91A 0 44,-2.0 46,-2.2 -2,-0.4 2,-0.3 -0.888 11.6 177.3-151.5-175.0 6.7 -5.9 23.5 47 50 A A E - c 0 92A 0 44,-0.3 2,-0.3 -2,-0.3 46,-0.3 -0.941 37.4 -87.0-177.2 162.0 9.4 -7.2 21.1 48 51 A D E - c 0 93A 2 44,-1.7 46,-2.2 -2,-0.3 2,-0.9 -0.729 31.5-131.7 -84.3 141.5 13.1 -6.9 20.2 49 52 A D B +e 12 0B 33 -38,-2.8 -36,-2.4 -2,-0.3 -35,-0.2 -0.864 41.2 166.6 -89.9 103.4 13.9 -4.3 17.5 50 53 A A + 0 0 0 -2,-0.9 2,-0.2 -38,-0.2 -1,-0.1 0.342 29.8 87.7-114.6 2.3 16.1 -6.5 15.5 51 54 A H + 0 0 4 4,-0.1 185,-0.2 198,-0.0 4,-0.2 -0.540 49.7 67.4-102.7 168.1 16.9 -5.0 12.0 52 55 A G S > S- 0 0 3 183,-2.8 4,-2.4 -2,-0.2 5,-0.1 -0.346 79.0 -63.6 120.6 171.4 19.4 -2.7 10.5 53 56 A T H > S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.907 121.5 52.2 -63.2 -48.5 23.0 -2.0 9.4 54 57 A P H > S+ 0 0 36 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.923 112.8 47.1 -56.9 -40.9 24.7 -2.1 12.9 55 58 A I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.932 111.0 51.0 -65.8 -43.7 23.1 -5.5 13.5 56 59 A M H X S+ 0 0 10 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.932 114.1 44.4 -57.0 -45.0 24.1 -6.8 10.1 57 60 A L H X S+ 0 0 7 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.880 109.9 54.3 -71.8 -37.4 27.7 -5.7 10.6 58 61 A K H X S+ 0 0 68 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.934 109.0 48.4 -62.0 -45.7 27.9 -7.0 14.1 59 62 A A H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-0.9 0.882 109.6 52.9 -61.9 -38.7 26.9 -10.5 13.0 60 63 A Q H ><5S+ 0 0 91 -4,-1.7 3,-0.7 -5,-0.2 -1,-0.2 0.926 108.7 50.0 -63.3 -42.3 29.4 -10.4 10.2 61 64 A Q H 3<5S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 111.9 48.2 -60.9 -37.5 32.1 -9.6 12.7 62 65 A L H 3<5S- 0 0 101 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.596 109.6-125.0 -78.8 -12.6 31.0 -12.4 14.9 63 66 A G T <<5S+ 0 0 66 -4,-0.9 2,-0.3 -3,-0.7 -3,-0.2 0.793 73.4 107.7 69.6 29.9 30.9 -14.9 12.0 64 67 A I S - 0 0 72 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.414 32.9-123.0 -69.9 149.7 24.0 -15.2 10.8 66 69 A P H > S+ 0 0 27 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.878 114.2 59.3 -60.6 -33.8 22.1 -12.2 12.0 67 70 A E H > S+ 0 0 96 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.912 106.5 45.3 -59.4 -44.9 19.2 -14.6 12.7 68 71 A Q H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 114.5 49.6 -64.0 -42.9 21.4 -16.5 15.2 69 72 A M H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.934 112.5 44.2 -64.3 -48.8 22.7 -13.4 16.8 70 73 A I H X S+ 0 0 12 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.818 110.4 57.2 -67.8 -28.8 19.3 -11.7 17.3 71 74 A G H X S+ 0 0 33 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.923 107.3 48.1 -65.0 -42.4 17.9 -15.0 18.6 72 75 A E H X S+ 0 0 107 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.921 114.0 45.7 -63.8 -44.0 20.6 -15.2 21.3 73 76 A M H X S+ 0 0 24 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.883 108.4 56.9 -70.0 -34.4 20.0 -11.6 22.3 74 77 A S H X S+ 0 0 19 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.924 109.2 46.6 -58.3 -44.4 16.2 -12.0 22.3 75 78 A Q H X S+ 0 0 119 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.913 111.8 50.3 -65.9 -41.0 16.6 -14.9 24.8 76 79 A E H X S+ 0 0 71 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.936 112.0 47.9 -61.3 -46.7 19.0 -12.8 27.0 77 80 A H H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.932 112.4 47.9 -59.6 -47.8 16.6 -9.9 27.1 78 81 A Q H X S+ 0 0 62 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.861 108.7 54.2 -67.2 -33.8 13.6 -12.1 27.9 79 82 A T H X S+ 0 0 92 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.930 111.1 46.2 -61.5 -44.8 15.5 -13.9 30.7 80 83 A D H X S+ 0 0 11 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.936 113.4 47.4 -65.0 -47.0 16.4 -10.5 32.3 81 84 A F H ><>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 3,-0.8 0.899 110.6 52.5 -62.8 -38.0 12.8 -9.2 32.0 82 85 A A H ><5S+ 0 0 62 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.875 103.2 59.5 -63.4 -34.5 11.4 -12.4 33.4 83 86 A G H 3<5S+ 0 0 31 -4,-1.8 266,-0.3 1,-0.3 -1,-0.2 0.757 107.8 44.8 -63.3 -26.0 13.9 -12.0 36.3 84 87 A F T <<5S- 0 0 0 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.272 116.0-117.0-100.2 7.8 12.2 -8.6 37.1 85 88 A N T < 5 + 0 0 36 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.880 46.2 173.9 59.5 42.6 8.7 -10.2 36.7 86 89 A I < - 0 0 11 -5,-2.1 2,-1.5 1,-0.1 -1,-0.2 -0.755 26.1-143.8 -80.8 116.7 7.7 -8.0 33.7 87 90 A S + 0 0 22 -2,-0.7 -43,-0.2 -3,-0.1 -1,-0.1 -0.277 28.1 173.0 -91.4 51.6 4.3 -9.6 32.9 88 91 A Y - 0 0 42 -2,-1.5 -43,-0.2 1,-0.2 3,-0.2 -0.255 30.2-153.9 -57.9 141.7 4.2 -9.4 29.1 89 92 A D S S+ 0 0 48 -45,-2.8 2,-0.3 1,-0.3 -44,-0.2 0.721 87.4 6.4 -80.3 -26.9 1.3 -11.2 27.3 90 93 A N E -c 45 0A 12 -46,-1.5 -44,-2.0 2,-0.0 2,-0.4 -0.946 56.3-171.4-154.5 139.8 3.6 -11.5 24.3 91 94 A Y E +c 46 0A 20 -2,-0.3 -44,-0.3 -46,-0.2 2,-0.1 -0.961 30.8 154.2-127.9 111.7 7.3 -10.7 23.5 92 95 A H E -c 47 0A 36 -46,-2.2 -44,-1.7 -2,-0.4 2,-0.3 -0.014 34.7-105.0-116.7-146.2 8.0 -11.0 19.8 93 96 A S E -c 48 0A 22 -46,-0.3 6,-0.3 163,-0.1 -44,-0.2 -0.993 14.2-130.8-149.4 149.3 10.4 -9.6 17.3 94 97 A T S S+ 0 0 0 -46,-2.2 2,-1.4 -2,-0.3 -45,-0.1 0.722 103.9 75.3 -71.5 -19.5 10.4 -7.1 14.4 95 98 A H S S+ 0 0 49 -47,-0.3 2,-0.3 4,-0.1 -1,-0.2 -0.686 79.5 107.4 -89.5 82.1 12.1 -9.9 12.5 96 99 A S S > S- 0 0 17 -2,-1.4 4,-2.1 1,-0.1 5,-0.1 -0.977 80.3-112.9-153.5 159.3 8.9 -11.9 12.0 97 100 A E H > S+ 0 0 101 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.861 115.6 56.9 -65.5 -35.8 6.4 -12.8 9.3 98 101 A E H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 109.7 45.0 -61.9 -45.0 3.7 -10.8 11.0 99 102 A N H > S+ 0 0 0 -6,-0.3 4,-2.7 2,-0.2 5,-0.2 0.890 110.8 54.0 -68.4 -35.4 5.8 -7.7 10.9 100 103 A R H X S+ 0 0 70 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.954 111.6 44.3 -60.6 -48.4 6.8 -8.4 7.3 101 104 A Q H X S+ 0 0 110 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.904 115.8 46.8 -67.6 -37.8 3.2 -8.6 6.2 102 105 A L H X S+ 0 0 10 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.893 111.6 51.0 -71.2 -36.6 2.1 -5.5 8.2 103 106 A S H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.936 113.2 45.7 -63.4 -44.3 5.0 -3.5 6.9 104 107 A E H X S+ 0 0 63 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.913 114.0 49.2 -64.3 -42.4 4.2 -4.4 3.3 105 108 A L H X S+ 0 0 62 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.938 112.7 45.8 -62.1 -49.1 0.5 -3.7 3.9 106 109 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.939 113.3 49.6 -64.5 -44.8 1.1 -0.3 5.5 107 110 A Y H X S+ 0 0 12 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.920 109.8 52.1 -56.2 -46.9 3.6 0.8 2.9 108 111 A S H X S+ 0 0 60 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.912 112.0 46.0 -57.9 -42.8 1.2 -0.3 0.1 109 112 A R H X S+ 0 0 87 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.909 111.8 50.6 -69.3 -42.1 -1.6 1.8 1.6 110 113 A L H <>S+ 0 0 2 -4,-2.7 5,-2.7 2,-0.2 6,-0.4 0.915 113.1 46.7 -59.3 -43.8 0.7 4.8 2.2 111 114 A K H ><5S+ 0 0 105 -4,-2.7 3,-1.6 1,-0.2 5,-0.3 0.934 111.1 50.1 -66.2 -46.6 1.8 4.6 -1.4 112 115 A E H 3<5S+ 0 0 157 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.840 109.9 53.0 -59.3 -34.1 -1.7 4.2 -2.8 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339 342 A K B > -F 18 0C 71 -2,-0.5 4,-2.4 -321,-0.2 -321,-0.3 -0.541 21.1-124.8 -77.8 148.6 23.1 -4.3 33.6 340 343 A A H > S+ 0 0 0 -323,-2.6 4,-1.7 1,-0.2 -322,-0.1 0.898 113.0 52.6 -56.8 -43.2 19.8 -5.9 34.6 341 344 A S H > S+ 0 0 44 -324,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.910 109.6 48.8 -62.4 -40.2 21.5 -9.3 34.7 342 345 A T H >> S+ 0 0 24 1,-0.2 3,-1.4 2,-0.2 4,-0.7 0.926 105.2 58.5 -65.2 -44.0 24.2 -8.0 37.0 343 346 A W H >X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.3 3,-1.7 0.907 101.4 55.3 -49.6 -47.9 21.6 -6.3 39.3 344 347 A L H 3< S+ 0 0 55 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.669 97.0 63.4 -68.7 -16.7 19.9 -9.7 40.0 345 348 A N H << S+ 0 0 129 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.723 118.9 26.7 -71.9 -20.7 23.2 -11.3 41.2 346 349 A H H << S+ 0 0 47 -3,-1.7 2,-0.3 -4,-0.7 -2,-0.2 0.754 128.2 18.2-111.3 -38.6 23.2 -8.7 44.1 347 350 A F S < S- 0 0 12 -4,-2.7 -1,-0.2 -5,-0.2 2,-0.1 -0.860 75.8-104.2-133.0 165.8 19.7 -7.7 44.8 348 351 A D > - 0 0 58 -2,-0.3 4,-0.8 1,-0.1 3,-0.1 -0.388 31.8-113.7 -84.6 170.9 16.1 -8.9 44.1 349 352 A A H > S+ 0 0 8 -266,-0.3 4,-2.5 1,-0.2 3,-0.3 0.876 110.1 63.2 -70.7 -40.0 13.8 -7.5 41.6 350 353 A D H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.844 95.9 59.5 -56.2 -36.1 11.3 -6.1 44.1 351 354 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 111.1 39.0 -61.7 -46.4 13.9 -3.8 45.6 352 355 A L H X S+ 0 0 0 -4,-0.8 4,-2.6 -3,-0.3 5,-0.3 0.887 113.6 55.6 -70.3 -40.4 14.4 -1.9 42.4 353 356 A R H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.939 111.6 45.0 -56.7 -45.7 10.8 -2.0 41.5 354 357 A Y H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.951 112.4 49.8 -62.8 -49.0 9.9 -0.4 44.8 355 358 A Y H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.934 114.0 44.1 -60.6 -48.3 12.6 2.3 44.6 356 359 A Y H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.8 0.918 112.7 52.3 -60.4 -45.9 11.7 3.4 41.1 357 360 A T H 3< S+ 0 0 0 -4,-2.2 81,-0.2 -5,-0.3 3,-0.2 0.898 105.2 55.7 -58.6 -40.2 8.0 3.3 41.9 358 361 A A H 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.756 115.0 39.5 -63.2 -24.4 8.6 5.6 44.9 359 362 A K H << S+ 0 0 64 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.639 95.4 101.2 -99.3 -20.7 10.3 8.2 42.7 360 363 A L < + 0 0 5 -4,-1.7 75,-2.5 -3,-0.2 2,-0.2 -0.280 41.4 165.9 -74.0 152.3 8.1 8.0 39.6 361 364 A S - 0 0 35 2,-0.4 72,-0.2 73,-0.2 4,-0.1 -0.841 52.2 -89.8-146.9-174.1 5.3 10.5 38.7 362 365 A S S S+ 0 0 27 -2,-0.2 -43,-0.2 2,-0.1 2,-0.2 0.430 99.3 83.2 -83.8 -0.4 3.1 11.5 35.8 363 366 A R S S- 0 0 117 69,-0.1 2,-0.9 -45,-0.1 -2,-0.4 -0.470 87.8-108.8 -96.8 170.4 5.8 14.0 34.6 364 367 A I + 0 0 18 -44,-0.2 2,-0.3 -2,-0.2 -44,-0.1 -0.904 63.2 135.2 -96.2 106.8 8.8 13.7 32.5 365 368 A D - 0 0 82 -2,-0.9 -44,-0.9 -4,-0.1 -4,-0.2 -0.969 60.4 -95.8-149.1 146.4 11.6 14.1 35.0 366 369 A D - 0 0 78 -2,-0.3 2,-0.5 -45,-0.2 -43,-0.2 -0.283 34.3-136.4 -62.7 149.1 14.8 12.1 35.4 367 370 A I E -p 323 0I 11 -45,-2.9 -43,-2.3 2,-0.0 2,-0.5 -0.950 15.5-149.1-113.6 120.4 14.7 9.4 38.0 368 371 A D E -p 324 0I 37 -2,-0.5 2,-1.1 -45,-0.2 -43,-0.2 -0.801 9.5-159.6 -98.6 124.0 17.7 9.1 40.2 369 372 A L E -p 325 0I 0 -45,-2.9 -43,-2.3 -2,-0.5 2,-0.7 -0.827 15.0-173.0 -92.8 92.7 18.9 5.8 41.7 370 373 A N > - 0 0 54 -2,-1.1 4,-2.1 -45,-0.2 5,-0.1 -0.838 13.7-151.9 -87.1 117.1 21.0 7.1 44.6 371 374 A L H > S+ 0 0 3 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.856 91.7 48.9 -65.9 -38.1 22.6 3.9 45.9 372 375 A E H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.929 114.4 47.4 -62.2 -44.2 23.0 5.0 49.6 373 376 A D H > S+ 0 0 46 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.826 105.2 60.9 -66.2 -32.4 19.4 6.1 49.6 374 377 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.937 106.8 44.8 -60.0 -48.3 18.4 2.8 48.0 375 378 A V H X S+ 0 0 5 -4,-1.8 4,-2.0 1,-0.2 156,-0.3 0.949 116.5 46.4 -60.7 -49.1 19.7 0.9 51.0 376 379 A Q H X S+ 0 0 117 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.921 115.6 44.6 -60.2 -45.4 18.1 3.3 53.4 377 380 A R H X>S+ 0 0 72 -4,-3.2 4,-2.8 2,-0.2 5,-0.6 0.898 112.4 48.7 -73.1 -43.2 14.7 3.4 51.7 378 381 A V H X>S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 5,-1.6 0.955 116.7 44.0 -61.7 -46.5 14.3 -0.3 51.0 379 382 A N H <>S+ 0 0 6 -4,-2.0 5,-2.0 -5,-0.3 -2,-0.2 0.922 118.3 44.0 -64.1 -43.5 15.2 -1.1 54.7 380 383 A A H <5S+ 0 0 42 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.923 125.7 27.9 -68.6 -45.1 13.1 1.6 56.1 381 384 A D H X>S+ 0 0 22 -4,-2.8 5,-2.2 3,-0.2 4,-0.5 0.912 129.3 31.2 -89.6 -46.8 9.9 1.1 54.0 382 385 A I T >> S+ 0 0 0 -3,-0.9 4,-1.4 -4,-0.3 -2,-0.2 0.700 100.5 71.7-111.3 -28.1 2.6 -10.3 64.8 394 397 A A H X S+ 0 0 3 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.854 90.4 60.6 -68.8 -35.9 2.6 -13.6 63.0 395 398 A G H > S+ 0 0 35 -4,-0.4 4,-3.1 -5,-0.2 5,-0.3 0.918 105.2 47.0 -58.0 -47.4 4.8 -15.5 65.6 396 399 A F H >>S+ 0 0 61 2,-0.2 4,-2.5 -4,-0.2 5,-0.7 0.910 112.8 50.5 -60.9 -43.3 2.3 -15.0 68.4 397 400 A I H X5S+ 0 0 0 -4,-1.4 6,-2.4 1,-0.2 4,-1.3 0.948 115.7 42.2 -60.0 -47.8 -0.6 -16.0 66.2 398 401 A N H <5S+ 0 0 40 -4,-2.9 4,-0.5 4,-0.2 -2,-0.2 0.917 122.2 37.2 -63.6 -45.1 1.3 -19.2 65.2 399 402 A K H <5S+ 0 0 185 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.823 129.9 24.4 -83.8 -33.6 2.6 -20.2 68.6 400 403 A R H <5S+ 0 0 89 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.631 128.5 37.2-108.8 -16.1 -0.2 -19.2 70.9 401 404 A F S >< + 0 0 50 1,-0.1 4,-2.1 62,-0.1 -1,-0.3 -0.693 65.1 172.3-137.8 80.7 -10.3 -1.5 65.7 412 415 A P H > S+ 0 0 81 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.835 80.5 58.1 -60.1 -34.0 -12.9 -1.3 63.0 413 416 A Q H > S+ 0 0 163 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.920 107.7 45.8 -63.2 -43.9 -12.6 2.5 62.7 414 417 A L H > S+ 0 0 27 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.918 110.8 53.4 -64.1 -41.7 -8.9 2.2 62.0 415 418 A Y H X S+ 0 0 10 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.918 107.0 52.6 -58.5 -42.3 -9.6 -0.6 59.4 416 419 A K H X S+ 0 0 115 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.877 102.7 57.8 -62.6 -37.9 -12.1 1.7 57.7 417 420 A T H X S+ 0 0 67 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.921 109.4 46.8 -55.3 -42.1 -9.4 4.4 57.5 418 421 A F H >< S+ 0 0 0 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.923 115.3 42.6 -67.6 -45.1 -7.3 1.9 55.5 419 422 A T H >< S+ 0 0 11 -4,-2.4 3,-1.6 1,-0.2 4,-0.3 0.832 106.3 62.9 -74.8 -27.9 -10.0 0.7 53.2 420 423 A D H >< S+ 0 0 92 -4,-2.8 3,-0.6 1,-0.3 4,-0.4 0.750 94.3 64.9 -63.5 -23.8 -11.3 4.3 52.6 421 424 A A T S+ 0 0 13 -3,-1.6 4,-2.8 1,-0.2 5,-0.3 0.872 82.3 53.1 -57.9 -40.5 -8.5 2.7 48.2 423 426 A E H <> S+ 0 0 172 -3,-0.6 4,-2.3 -4,-0.3 -1,-0.2 0.951 113.2 41.2 -63.6 -49.4 -10.1 5.2 45.9 424 427 A V H > S+ 0 0 50 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.889 116.9 48.6 -67.1 -39.1 -7.3 7.8 46.2 425 428 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.945 112.7 47.6 -67.1 -44.8 -4.5 5.2 46.0 426 429 A G H X S+ 0 0 1 -4,-2.8 4,-2.9 -5,-0.3 -2,-0.2 0.897 109.8 53.5 -61.9 -39.7 -6.1 3.5 42.9 427 430 A E H X S+ 0 0 106 -4,-2.3 4,-2.4 -5,-0.3 6,-0.3 0.880 108.0 51.6 -62.8 -35.9 -6.5 6.9 41.3 428 431 A A H <>S+ 0 0 2 -4,-1.8 5,-1.9 2,-0.2 4,-0.4 0.917 111.1 45.8 -67.9 -42.4 -2.8 7.5 41.9 429 432 A W H ><5S+ 0 0 0 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.951 114.0 51.0 -60.8 -45.3 -1.9 4.2 40.2 430 433 A E H 3<5S+ 0 0 50 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.888 112.5 43.8 -58.7 -43.9 -4.3 5.0 37.4 431 434 A S T 3<5S- 0 0 35 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.363 114.4-114.0 -86.0 3.1 -2.9 8.4 36.7 432 435 A R T < 5S+ 0 0 24 -3,-1.3 2,-1.8 -4,-0.4 3,-0.3 0.652 71.7 140.1 70.7 17.9 0.7 7.2 37.0 433 436 A E >< + 0 0 61 -5,-1.9 4,-2.2 -6,-0.3 -1,-0.2 -0.513 18.4 159.2 -85.8 66.1 1.3 9.3 40.1 434 437 A F H > + 0 0 0 -2,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.877 66.2 54.0 -63.7 -42.2 3.3 6.4 41.5 435 438 A G H > S+ 0 0 2 -75,-2.5 4,-2.4 -3,-0.3 -1,-0.2 0.884 108.6 50.4 -60.2 -39.3 5.2 8.5 44.1 436 439 A K H > S+ 0 0 100 -76,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.926 109.6 50.8 -62.7 -47.2 1.9 9.8 45.5 437 440 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.940 111.8 47.0 -55.5 -48.9 0.5 6.3 45.7 438 441 A V H X S+ 0 0 6 -4,-2.6 4,-3.0 -81,-0.2 5,-0.2 0.908 110.4 52.4 -63.0 -41.2 3.6 5.1 47.7 439 442 A R H X S+ 0 0 166 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.921 111.4 46.9 -59.9 -43.9 3.5 8.1 50.0 440 443 A E H X S+ 0 0 70 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.914 113.3 48.5 -63.9 -42.9 -0.1 7.4 50.8 441 444 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.926 112.5 48.0 -65.0 -42.8 0.6 3.7 51.4 442 445 A M H X S+ 0 0 11 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.830 107.3 55.5 -70.7 -30.0 3.6 4.5 53.6 443 446 A A H X S+ 0 0 52 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.905 109.4 48.2 -64.5 -40.3 1.6 7.0 55.7 444 447 A L H X S+ 0 0 10 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.914 108.6 53.6 -63.5 -42.4 -0.9 4.2 56.3 445 448 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.899 106.4 52.9 -60.5 -37.5 2.0 1.9 57.2 446 449 A D H X S+ 0 0 67 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.924 108.8 49.5 -62.0 -43.3 3.1 4.5 59.8 447 450 A L H X S+ 0 0 65 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.877 110.3 51.5 -61.6 -39.4 -0.4 4.5 61.2 448 451 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 111.2 45.5 -65.5 -43.5 -0.4 0.7 61.4 449 452 A N H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.862 110.7 54.6 -70.8 -31.0 2.9 0.6 63.3 450 453 A R H X S+ 0 0 150 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.907 107.4 51.6 -63.4 -42.5 1.7 3.4 65.6 451 454 A Y H X S+ 0 0 8 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.953 110.4 47.2 -58.4 -50.4 -1.3 1.2 66.4 452 455 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.2 0.933 112.7 49.4 -59.8 -44.0 0.8 -1.8 67.2 453 456 A D H < S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.890 108.5 53.7 -59.7 -40.9 3.1 0.4 69.4 454 457 A E H < S+ 0 0 136 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.824 113.1 43.6 -62.3 -32.9 0.1 1.9 71.2 455 458 A Q H < S- 0 0 75 -4,-1.7 5,-0.3 -3,-0.2 -1,-0.2 0.692 94.0-153.7 -88.3 -21.8 -1.1 -1.7 71.9 456 459 A A >X - 0 0 19 -4,-1.7 4,-2.4 -5,-0.2 3,-2.1 0.907 15.3-175.8 52.5 61.5 2.4 -2.9 73.0 457 460 A P H 3> S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.795 80.4 64.8 -60.2 -26.6 2.1 -6.7 72.2 458 461 A W H 34 S+ 0 0 146 2,-0.2 4,-0.1 1,-0.2 -2,-0.1 0.681 111.0 38.5 -68.8 -17.5 5.6 -7.3 73.6 459 462 A V H X> S+ 0 0 44 -3,-2.1 3,-1.5 2,-0.1 4,-0.5 0.840 114.4 51.6 -91.0 -50.4 4.1 -6.2 77.0 460 463 A V H >< S+ 0 0 2 -4,-2.4 3,-1.4 -5,-0.3 6,-0.3 0.873 101.8 63.9 -54.3 -37.7 0.7 -7.8 76.6 461 464 A A T 3< S+ 0 0 20 -4,-2.6 -1,-0.3 1,-0.3 -3,-0.1 0.726 104.2 44.8 -62.4 -24.9 2.4 -11.2 75.8 462 465 A K T <4 S+ 0 0 166 -3,-1.5 2,-0.4 -5,-0.1 -1,-0.3 0.470 93.2 97.8 -98.6 -3.1 4.0 -11.5 79.2 463 466 A Q S X< S- 0 0 73 -3,-1.4 3,-1.6 -4,-0.5 4,-0.0 -0.750 80.2-108.4 -99.0 130.2 1.0 -10.5 81.2 464 467 A E T 3 S+ 0 0 189 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 -0.187 95.2 6.2 -58.6 135.1 -1.3 -13.1 82.8 465 468 A G T 3 S+ 0 0 61 1,-0.1 3,-0.3 3,-0.0 -1,-0.2 0.522 92.3 112.5 77.3 6.1 -4.7 -13.7 81.3 466 469 A R <> + 0 0 82 -3,-1.6 4,-2.3 -6,-0.3 5,-0.2 0.096 32.4 117.2-100.4 25.3 -4.3 -11.3 78.4 467 470 A D H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 76.5 50.3 -54.4 -48.8 -4.3 -14.0 75.7 468 471 A A H > S+ 0 0 69 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.898 109.8 50.6 -60.7 -42.2 -7.5 -12.6 74.1 469 472 A D H > S+ 0 0 71 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 110.1 50.7 -61.3 -43.8 -6.0 -9.1 73.9 470 473 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.938 110.3 47.9 -63.4 -46.6 -2.8 -10.5 72.3 471 474 A Q H X S+ 0 0 46 -4,-2.6 4,-2.2 1,-0.2 -65,-0.5 0.901 112.6 51.1 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0.766 360.0 360.0 -72.7 360.0 33.3 -1.8 36.3