==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 16-OCT-08 2ZUE . COMPND 2 MOLECULE: ARGINYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.KONNO,T.SUMIDA,E.UCHIKAWA,Y.MORI,T.YANAGISAWA,S.SEKINE, . 628 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 5.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 36 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 44.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 1 1 0 1 1 0 3 2 1 2 0 0 2 2 2 1 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 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 PARALLEL BRIDGES PER LADDER . 3 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 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 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 2 A L 0 0 154 0, 0.0 2,-0.9 0, 0.0 552,-0.0 0.000 360.0 360.0 360.0 177.9 -3.2 -7.9 32.4 2 3 A M > + 0 0 41 551,-0.3 3,-0.7 1,-0.2 2,-0.6 -0.267 360.0 137.2 -89.2 49.4 -3.4 -10.9 30.1 3 4 A E T 3 + 0 0 130 -2,-0.9 3,-0.4 1,-0.2 4,-0.3 -0.155 30.7 116.6 -86.1 41.5 -3.7 -13.5 32.9 4 5 A I T 3> + 0 0 28 -2,-0.6 4,-1.1 1,-0.2 3,-0.4 0.567 58.5 75.9 -82.0 -11.9 -6.3 -15.1 30.8 5 6 A R H <> S+ 0 0 72 -3,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.860 88.7 57.4 -66.1 -36.2 -3.9 -18.1 30.6 6 7 A E H > S+ 0 0 59 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.751 100.7 56.3 -67.3 -25.9 -4.9 -18.9 34.2 7 8 A S H > S+ 0 0 15 -3,-0.4 4,-1.8 -4,-0.3 -1,-0.2 0.848 108.2 47.1 -74.6 -34.4 -8.6 -19.2 33.2 8 9 A V H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.2 -2,-0.2 0.877 112.8 50.3 -72.4 -38.6 -7.8 -21.8 30.6 9 10 A K H X S+ 0 0 45 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.970 109.7 49.0 -63.3 -54.6 -5.6 -23.7 33.1 10 11 A E H X S+ 0 0 119 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.907 113.5 46.6 -52.4 -47.8 -8.3 -23.8 35.8 11 12 A R H X S+ 0 0 59 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.920 113.7 49.0 -61.3 -44.1 -10.9 -25.0 33.4 12 13 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.814 107.0 55.2 -66.5 -31.1 -8.5 -27.7 32.0 13 14 A E H X S+ 0 0 74 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.879 108.5 48.7 -69.8 -36.3 -7.6 -28.8 35.5 14 15 A E H X S+ 0 0 110 -4,-1.7 4,-1.0 -5,-0.2 -2,-0.2 0.956 108.6 51.9 -65.9 -51.8 -11.2 -29.5 36.3 15 16 A I H >X S+ 0 0 16 -4,-2.1 4,-1.4 1,-0.3 3,-0.7 0.871 110.6 50.2 -52.0 -40.3 -11.8 -31.4 33.1 16 17 A I H 3X S+ 0 0 3 -4,-1.7 4,-3.9 1,-0.2 -1,-0.3 0.887 102.0 60.2 -66.4 -40.3 -8.8 -33.5 34.0 17 18 A K H 3< S+ 0 0 141 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.704 106.0 50.5 -61.2 -19.3 -10.2 -34.2 37.5 18 19 A E H << S+ 0 0 122 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.853 120.0 31.4 -86.1 -40.1 -13.2 -35.8 35.8 19 20 A I H < S+ 0 0 43 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.2 0.734 144.1 13.0 -88.4 -26.6 -11.3 -38.1 33.5 20 21 A A >< + 0 0 12 -4,-3.9 3,-2.7 -5,-0.2 -1,-0.2 -0.510 61.6 173.7-151.1 74.4 -8.4 -38.6 35.9 21 22 A P T 3 S+ 0 0 68 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.504 80.3 70.7 -61.9 -0.3 -9.2 -37.2 39.5 22 23 A Q T 3 S+ 0 0 166 -6,-0.2 2,-0.1 -3,-0.0 -5,-0.1 0.546 76.4 99.0 -92.9 -10.8 -5.9 -38.8 40.4 23 24 A W < + 0 0 55 -3,-2.7 -3,-0.0 -7,-0.2 25,-0.0 -0.457 39.0 167.8 -76.1 151.2 -3.9 -36.1 38.4 24 25 A E + 0 0 177 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.034 32.0 120.7-155.2 33.4 -2.4 -33.3 40.4 25 26 A G - 0 0 23 1,-0.1 2,-0.4 -12,-0.1 -2,-0.0 -0.429 63.5 -95.6-101.5 175.9 0.0 -31.4 38.1 26 27 A E - 0 0 171 -2,-0.1 2,-0.5 1,-0.0 -1,-0.1 -0.721 34.1-129.3 -90.4 136.2 0.5 -27.9 36.7 27 28 A I - 0 0 5 -2,-0.4 2,-0.5 15,-0.0 -18,-0.1 -0.749 19.4-150.8 -88.1 125.1 -0.9 -27.2 33.2 28 29 A E - 0 0 104 -2,-0.5 2,-0.6 -19,-0.1 16,-0.3 -0.852 7.9-165.4-100.4 126.7 1.6 -25.6 30.9 29 30 A L + 0 0 7 -2,-0.5 2,-0.3 13,-0.1 13,-0.2 -0.938 14.6 174.9-113.1 115.4 0.4 -23.2 28.2 30 31 A K E -A 41 0A 108 11,-3.0 11,-2.9 -2,-0.6 -2,-0.0 -0.854 38.7 -86.4-121.6 156.6 2.8 -22.4 25.4 31 32 A E E -A 40 0A 124 -2,-0.3 9,-0.2 9,-0.2 8,-0.1 -0.220 47.5-119.3 -54.6 142.0 2.7 -20.4 22.2 32 33 A T - 0 0 23 7,-0.9 -1,-0.1 6,-0.3 6,-0.1 -0.526 19.3-114.9 -84.3 155.2 1.5 -22.5 19.2 33 34 A P S S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.729 98.3 16.4 -60.4 -23.0 3.8 -23.0 16.1 34 35 A D S > S- 0 0 69 4,-0.1 3,-2.2 1,-0.1 4,-0.5 -0.988 73.4-121.0-154.5 141.9 1.4 -21.1 14.0 35 36 A P G > S+ 0 0 33 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.815 110.8 67.5 -50.0 -34.3 -1.6 -18.7 14.4 36 37 A K G 3 S+ 0 0 150 1,-0.3 3,-0.1 3,-0.1 507,-0.0 0.808 98.1 51.7 -57.5 -31.0 -3.7 -21.2 12.5 37 38 A L G < S- 0 0 55 -3,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.568 123.8 -96.0 -83.6 -9.5 -3.3 -23.7 15.4 38 39 A G < - 0 0 1 -3,-1.5 -1,-0.3 -4,-0.5 -6,-0.3 -0.666 39.0 -70.0 122.9-179.2 -4.5 -21.1 17.9 39 40 A D S S- 0 0 36 48,-2.1 -7,-0.9 1,-0.3 2,-0.3 0.894 105.5 -16.7 -81.1 -43.1 -2.9 -18.6 20.3 40 41 A F E -AB 31 87A 14 47,-1.0 47,-2.6 -9,-0.2 -1,-0.3 -0.984 63.0-173.3-158.3 160.1 -1.5 -21.1 22.8 41 42 A G E -AB 30 86A 4 -11,-2.9 -11,-3.0 -2,-0.3 45,-0.2 -0.929 18.7-120.5-150.3 174.9 -1.8 -24.7 23.8 42 43 A T E - B 0 85A 0 43,-2.3 43,-2.2 -2,-0.3 3,-0.4 -0.964 2.8-156.6-126.7 140.4 -0.8 -27.4 26.3 43 44 A P >> + 0 0 23 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.143 60.2 120.4 -96.0 17.4 1.0 -30.8 25.7 44 45 A I H >> + 0 0 6 -16,-0.3 4,-1.1 1,-0.3 3,-1.0 0.782 60.9 69.2 -52.9 -31.5 -0.6 -32.1 28.9 45 46 A A H 3> S+ 0 0 0 38,-0.4 4,-1.8 -3,-0.4 3,-0.4 0.859 92.9 56.8 -58.7 -37.0 -2.2 -35.0 27.0 46 47 A F H <4 S+ 0 0 87 -3,-1.5 4,-0.5 37,-0.2 -1,-0.3 0.782 109.3 46.6 -66.1 -25.4 1.1 -36.6 26.3 47 48 A K H X>S+ 0 0 9 -4,-1.8 5,-1.2 1,-0.2 4,-0.9 0.902 93.2 45.7 -47.8 -53.9 -1.4 -40.9 28.1 50 51 A K H >45S+ 0 0 171 -4,-0.5 3,-1.4 1,-0.2 -1,-0.2 0.959 111.7 49.3 -57.5 -56.3 0.6 -43.2 30.4 51 52 A L H 3<5S+ 0 0 107 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.669 122.2 37.2 -59.4 -16.6 -1.6 -42.8 33.5 52 53 A L H <<5S- 0 0 38 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.398 96.8-136.6-114.8 -1.0 -4.6 -43.5 31.2 53 54 A K T <<5 + 0 0 201 -3,-1.4 -3,-0.2 -4,-0.9 -4,-0.1 0.682 69.5 120.0 51.8 16.5 -3.0 -46.1 29.0 54 55 A R S > - 0 0 75 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.265 28.5-126.7 -59.8 141.9 -3.1 -42.4 23.2 56 57 A P H 3> S+ 0 0 35 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.920 109.8 58.4 -55.1 -46.2 -2.4 -38.7 23.6 57 58 A I H 3> S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 26,-0.3 0.826 109.3 44.9 -53.0 -36.5 -4.3 -37.8 20.5 58 59 A E H <> S+ 0 0 101 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.914 111.6 49.8 -76.0 -45.9 -7.4 -39.4 22.0 59 60 A I H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.871 109.3 54.6 -60.6 -37.4 -7.1 -37.8 25.4 60 61 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.970 109.0 45.7 -60.0 -55.8 -6.6 -34.4 23.8 61 62 A E H X S+ 0 0 98 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.866 111.9 54.8 -55.3 -39.4 -9.8 -34.7 21.7 62 63 A K H X S+ 0 0 78 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.906 109.7 43.6 -63.4 -45.3 -11.6 -35.9 24.9 63 64 A I H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.865 113.9 52.1 -69.4 -34.7 -10.6 -32.9 27.0 64 65 A V H X S+ 0 0 7 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.794 102.5 60.8 -70.0 -29.1 -11.4 -30.6 24.1 65 66 A E H < S+ 0 0 106 -4,-1.6 4,-0.2 -5,-0.2 -1,-0.2 0.928 110.6 39.5 -63.2 -44.9 -14.9 -32.3 23.8 66 67 A K H >X S+ 0 0 56 -4,-1.4 3,-2.1 1,-0.2 4,-1.3 0.891 108.9 60.9 -72.4 -40.3 -15.7 -31.1 27.4 67 68 A L H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.862 94.8 62.9 -54.3 -39.5 -14.0 -27.7 27.0 68 69 A K T 3< S+ 0 0 128 -4,-1.7 3,-0.3 1,-0.2 -1,-0.3 0.666 102.4 53.3 -61.6 -15.5 -16.4 -26.8 24.2 69 70 A L T <4 S+ 0 0 149 -3,-2.1 -1,-0.2 -4,-0.2 2,-0.2 0.905 124.3 20.5 -85.2 -48.5 -19.2 -27.2 26.8 70 71 A N S < S- 0 0 84 -4,-1.3 -1,-0.2 -59,-0.0 -2,-0.2 -0.522 89.1-162.4-120.8 63.1 -17.9 -24.8 29.5 71 72 A L - 0 0 51 -3,-0.3 3,-0.1 -2,-0.2 -3,-0.1 -0.113 26.7-100.6 -49.2 134.0 -15.5 -22.7 27.4 72 73 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 2,-0.4 -0.118 47.8 -87.4 -54.5 154.0 -12.8 -20.7 29.4 73 74 A E T 3 S+ 0 0 153 1,-0.3 -66,-0.1 -66,-0.1 3,-0.1 -0.520 115.4 15.6 -69.8 120.1 -13.5 -17.0 29.9 74 75 A G T 3 S+ 0 0 32 -2,-0.4 16,-2.8 1,-0.3 2,-0.5 0.512 99.5 117.3 95.5 6.1 -12.1 -15.0 27.0 75 76 A I E < -C 89 0A 9 -3,-1.7 -1,-0.3 14,-0.3 14,-0.3 -0.934 42.2-172.5-112.7 127.0 -11.8 -18.0 24.7 76 77 A K E - 0 0 137 12,-2.5 2,-0.3 -2,-0.5 13,-0.2 0.876 68.5 -10.9 -82.4 -41.0 -13.8 -18.3 21.5 77 78 A D E -C 88 0A 71 11,-1.2 11,-3.0 2,-0.0 2,-0.3 -0.962 54.1-149.7-155.1 167.5 -12.9 -21.8 20.5 78 79 A V E -C 87 0A 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.969 11.8-175.6-141.4 155.2 -10.6 -24.8 21.2 79 80 A K E -C 86 0A 124 7,-2.8 7,-2.3 -2,-0.3 2,-0.4 -0.960 20.9-134.0-157.8 136.9 -9.2 -27.6 19.1 80 81 A A E -C 85 0A 23 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.725 25.7-178.9 -90.0 138.0 -7.1 -30.8 19.7 81 82 A V E > -C 84 0A 35 3,-2.2 3,-2.9 -2,-0.4 -2,-0.0 -0.932 63.7 -33.4-144.2 117.0 -4.3 -31.3 17.2 82 83 A N T 3 S- 0 0 125 -2,-0.4 -25,-0.1 1,-0.3 3,-0.1 0.785 129.4 -38.4 43.8 37.2 -1.9 -34.3 17.2 83 84 A G T 3 S+ 0 0 1 1,-0.4 -38,-0.4 -26,-0.3 -1,-0.3 0.210 115.0 114.8 104.2 -16.9 -2.1 -34.5 21.0 84 85 A Y E < - C 0 81A 109 -3,-2.9 -3,-2.2 -39,-0.1 2,-0.7 -0.624 58.2-141.8 -91.7 148.9 -2.1 -30.8 21.8 85 86 A I E -BC 42 80A 0 -43,-2.2 -43,-2.3 -2,-0.2 2,-0.4 -0.943 29.5-173.0-106.9 110.0 -5.0 -28.9 23.4 86 87 A N E -BC 41 79A 7 -7,-2.3 -7,-2.8 -2,-0.7 2,-0.3 -0.884 8.0-158.1-112.2 140.9 -5.1 -25.5 21.6 87 88 A V E -BC 40 78A 0 -47,-2.6 -48,-2.1 -2,-0.4 -47,-1.0 -0.836 8.1-145.5-117.5 153.5 -7.3 -22.5 22.5 88 89 A F E - C 0 77A 50 -11,-3.0 -12,-2.5 -2,-0.3 -11,-1.2 -0.973 20.9-131.9-119.8 121.5 -8.4 -19.4 20.5 89 90 A I E - C 0 75A 6 -2,-0.5 2,-1.4 -14,-0.3 -14,-0.3 -0.396 18.4-120.6 -70.7 143.9 -8.8 -16.1 22.2 90 91 A D > - 0 0 62 -16,-2.8 4,-0.9 1,-0.2 3,-0.3 -0.738 38.0-171.6 -84.5 95.5 -11.9 -14.0 21.7 91 92 A Y H > + 0 0 19 -2,-1.4 4,-3.1 1,-0.2 5,-0.4 0.833 59.1 77.5 -62.6 -44.4 -10.1 -11.0 20.3 92 93 A P H > S+ 0 0 31 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.833 107.9 29.0 -35.4 -59.6 -12.6 -8.2 19.9 93 94 A H H > S+ 0 0 135 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.862 117.5 57.5 -75.8 -36.1 -12.7 -7.2 23.6 94 95 A F H X S+ 0 0 36 -4,-0.9 4,-2.6 1,-0.2 5,-0.2 0.964 110.3 45.3 -56.8 -53.0 -9.1 -8.2 24.4 95 96 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.926 114.8 47.2 -57.3 -49.1 -7.8 -5.9 21.7 96 97 A R H X S+ 0 0 67 -4,-1.7 4,-2.4 -5,-0.4 5,-0.2 0.943 114.1 45.3 -60.3 -50.9 -10.0 -3.0 22.7 97 98 A I H X S+ 0 0 123 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.921 117.0 46.6 -60.4 -43.1 -9.3 -3.2 26.4 98 99 A L H X S+ 0 0 19 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.951 113.8 45.0 -65.1 -51.3 -5.6 -3.6 25.7 99 100 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.896 111.7 53.1 -61.8 -40.4 -5.2 -0.8 23.2 100 101 A N H X S+ 0 0 81 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.878 110.8 48.1 -63.2 -35.1 -7.3 1.6 25.3 101 102 A D H X S+ 0 0 51 -4,-1.6 4,-2.7 -5,-0.2 5,-0.3 0.882 109.9 50.9 -72.6 -38.6 -4.9 0.8 28.2 102 103 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 7,-0.3 0.936 114.2 44.9 -62.9 -44.4 -1.8 1.3 26.2 103 104 A L H < S+ 0 0 33 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.864 113.7 49.6 -67.5 -37.3 -3.1 4.7 25.0 104 105 A A H < S+ 0 0 77 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.944 117.2 39.4 -68.0 -47.8 -4.2 5.7 28.4 105 106 A K H >< S+ 0 0 104 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.827 88.1 167.4 -71.4 -31.6 -0.9 4.9 30.1 106 107 A G G >< + 0 0 10 -4,-2.3 3,-2.2 -5,-0.3 4,-0.2 -0.328 68.8 10.6 59.0-124.8 1.0 6.2 27.1 107 108 A D G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.618 133.5 55.5 -62.3 -12.0 4.7 6.6 27.8 108 109 A R G X S+ 0 0 188 -3,-2.1 3,-2.6 -6,-0.2 -1,-0.3 0.463 72.6 116.3 -99.8 0.7 4.1 4.7 31.0 109 110 A F T < S+ 0 0 11 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.822 81.8 32.4 -38.4 -61.9 2.5 1.6 29.4 110 111 A G T 3 S+ 0 0 0 -4,-0.2 -1,-0.3 -3,-0.1 450,-0.1 0.302 96.0 119.1 -85.1 15.8 5.1 -1.1 30.3 111 112 A S < - 0 0 48 -3,-2.6 2,-0.3 448,-0.1 43,-0.2 -0.195 40.6-170.7 -75.1 169.4 6.0 0.5 33.7 112 113 A S - 0 0 27 41,-2.4 3,-0.2 40,-0.1 -2,-0.0 -0.967 32.0-141.7-154.3 164.8 5.6 -1.1 37.1 113 114 A E > + 0 0 134 -2,-0.3 3,-2.4 1,-0.1 42,-0.1 0.137 68.9 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0.0 -4,-0.1 0, 0.0 7,-0.1 0.626 69.4 81.0 -60.4 -12.2 16.6 15.0 0.3 457 458 A A T 3 S+ 0 0 89 2,-0.0 3,-0.1 3,-0.0 -5,-0.1 0.951 71.6 87.5 -59.0 -55.5 13.3 17.0 0.8 458 459 A L S < S- 0 0 15 -3,-0.8 -3,-0.1 -7,-0.1 0, 0.0 0.072 91.0 -90.6 -44.6 155.4 13.7 17.5 4.6 459 460 A S > - 0 0 61 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.240 32.8-112.0 -68.1 158.8 15.6 20.5 5.9 460 461 A D H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.909 118.6 53.0 -57.3 -43.9 19.3 20.3 6.6 461 462 A E H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 110.4 44.7 -59.0 -48.5 18.6 20.7 10.3 462 463 A E H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 112.0 53.5 -66.7 -35.0 16.1 17.8 10.4 463 464 A K H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.885 109.3 48.3 -66.5 -36.5 18.4 15.6 8.3 464 465 A A H X S+ 0 0 51 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.892 111.3 51.9 -68.6 -39.9 21.2 16.2 10.7 465 466 A E H X S+ 0 0 88 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 112.3 43.4 -61.4 -48.9 18.9 15.4 13.6 466 467 A V H X S+ 0 0 7 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.895 108.6 58.8 -66.7 -39.4 17.7 12.1 12.1 467 468 A A H X S+ 0 0 1 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.896 110.0 44.0 -56.9 -41.3 21.3 11.2 11.1 468 469 A E H X>S+ 0 0 98 -4,-1.7 4,-2.5 2,-0.2 5,-0.6 0.941 112.9 50.0 -70.3 -46.1 22.3 11.4 14.8 469 470 A K H X5S+ 0 0 47 -4,-2.3 4,-1.3 1,-0.2 154,-0.3 0.890 118.7 40.4 -58.9 -38.7 19.3 9.6 16.1 470 471 A V H X5S+ 0 0 15 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.948 117.8 44.4 -74.9 -53.1 19.9 6.8 13.5 471 472 A G H X5S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.3 -3,-0.2 0.936 120.4 39.9 -58.8 -50.2 23.7 6.6 13.8 472 473 A I H X5S+ 0 0 17 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.928 115.0 53.1 -65.6 -46.2 23.8 6.7 17.6 473 474 A G H XX S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.8 0.942 113.9 48.5 -60.4 -49.4 23.6 1.4 21.0 477 478 A Y H 3X S+ 0 0 5 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.925 105.5 57.0 -59.6 -45.8 21.4 -1.3 19.6 478 479 A N H 3< S+ 0 0 10 -4,-2.4 -1,-0.2 -5,-0.2 4,-0.2 0.749 110.8 44.9 -60.6 -22.0 24.2 -3.3 18.1 479 480 A L H << S+ 0 0 6 -4,-1.0 3,-0.5 -3,-0.8 -1,-0.2 0.864 115.8 43.2 -89.0 -39.0 25.8 -3.6 21.6 480 481 A I H < S+ 0 0 1 -4,-2.0 92,-0.2 1,-0.2 -2,-0.2 0.728 98.8 72.4 -78.2 -23.9 22.6 -4.4 23.6 481 482 A K S < S+ 0 0 52 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 0.738 84.6 79.5 -64.5 -25.0 21.2 -6.9 21.1 482 483 A Y S S- 0 0 74 -3,-0.5 87,-0.1 -4,-0.2 6,-0.1 -0.681 91.4-113.8 -87.3 137.6 23.8 -9.6 22.0 483 484 A S > - 0 0 32 -2,-0.3 3,-2.0 1,-0.2 -2,-0.1 -0.479 31.4-120.7 -63.6 139.5 23.4 -11.6 25.2 484 485 A P T 3 S+ 0 0 13 0, 0.0 -69,-3.2 0, 0.0 -1,-0.2 0.746 107.7 71.1 -54.9 -25.4 26.3 -10.5 27.4 485 486 A D T 3 S+ 0 0 111 -71,-0.2 2,-0.5 2,-0.1 -71,-0.1 0.513 88.9 76.0 -71.8 -5.1 27.7 -14.1 27.5 486 487 A K S < S- 0 0 136 -3,-2.0 -71,-0.2 -71,-0.1 -4,-0.0 -0.931 83.1-123.8-114.9 133.0 28.7 -13.8 23.9 487 488 A K - 0 0 81 -2,-0.5 2,-0.5 -73,-0.1 -70,-0.2 -0.229 21.5-135.8 -64.0 156.1 31.7 -11.9 22.6 488 489 A I E -n 417 0E 11 -72,-1.8 -70,-2.9 -4,-0.1 2,-1.0 -0.978 6.8-156.5-121.8 119.3 31.2 -9.2 20.0 489 490 A I E -n 418 0E 89 -2,-0.5 -70,-0.2 -72,-0.2 2,-0.2 -0.842 24.6-135.9 -94.8 103.8 33.6 -9.0 17.1 490 491 A F + 0 0 5 -72,-2.9 2,-0.4 -2,-1.0 3,-0.1 -0.409 30.2 173.9 -64.3 127.8 33.3 -5.4 16.0 491 492 A R >> - 0 0 76 -2,-0.2 4,-1.6 -72,-0.1 3,-1.1 -0.996 35.3-137.6-138.3 130.0 33.0 -5.0 12.2 492 493 A W H 3> S+ 0 0 60 -2,-0.4 4,-2.2 1,-0.3 5,-0.1 0.847 107.3 57.2 -53.4 -37.1 32.3 -1.8 10.4 493 494 A E H 34 S+ 0 0 132 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.824 105.7 53.0 -64.0 -31.6 29.9 -3.6 8.1 494 495 A D H <4 S+ 0 0 56 -3,-1.1 3,-0.4 2,-0.2 -2,-0.2 0.932 114.0 36.4 -71.3 -50.0 27.9 -4.7 11.2 495 496 A V H < S+ 0 0 8 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.1 0.859 118.5 51.0 -73.6 -34.7 27.4 -1.3 12.8 496 497 A L S < S+ 0 0 28 -4,-2.2 2,-0.8 -5,-0.3 -1,-0.2 0.520 84.0 99.5 -81.3 -6.0 26.9 0.6 9.5 497 498 A N - 0 0 65 -4,-0.5 -4,-0.0 -3,-0.4 -3,-0.0 -0.735 49.3-176.8 -83.6 114.5 24.3 -1.8 8.2 498 499 A F + 0 0 21 -2,-0.8 2,-0.3 4,-0.1 -1,-0.1 0.066 59.0 77.9-100.2 24.4 21.0 -0.1 8.8 499 500 A E S S+ 0 0 155 2,-0.1 2,-0.2 5,-0.1 4,-0.1 -0.870 83.9 20.7-125.1 159.0 18.9 -3.0 7.5 500 501 A G S S+ 0 0 42 -2,-0.3 2,-2.5 1,-0.1 5,-0.2 -0.524 123.8 3.2 83.7-153.1 18.1 -6.2 9.2 501 502 A E S S+ 0 0 124 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.417 103.6 118.6 -71.6 74.3 18.3 -6.6 13.0 502 503 A S S > S- 0 0 0 -2,-2.5 4,-1.1 -4,-0.1 5,-0.1 -0.806 77.2-108.0-134.1 173.8 19.2 -3.0 13.7 503 504 A A H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 3,-0.3 0.911 115.7 56.7 -70.1 -44.7 18.0 0.1 15.4 504 505 A P H > S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.852 102.0 58.0 -56.1 -34.2 17.1 1.9 12.2 505 506 A Y H > S+ 0 0 57 -5,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.916 111.6 40.4 -60.8 -45.2 14.8 -1.0 11.3 506 507 A I H X S+ 0 0 0 -4,-1.1 4,-1.9 -3,-0.3 -1,-0.2 0.878 114.2 53.1 -71.9 -38.3 12.8 -0.5 14.5 507 508 A Q H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.872 106.8 54.0 -64.6 -36.8 12.9 3.3 14.1 508 509 A Y H X S+ 0 0 113 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.932 105.0 52.1 -64.1 -47.1 11.5 3.0 10.6 509 510 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.925 113.0 46.7 -56.2 -42.8 8.5 1.0 11.8 510 511 A H H X S+ 0 0 3 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.949 110.9 49.1 -64.5 -50.1 7.8 3.7 14.4 511 512 A A H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.866 107.8 57.3 -57.8 -34.7 8.2 6.6 11.9 512 513 A R H X S+ 0 0 54 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.931 109.0 46.2 -59.5 -46.4 5.9 4.7 9.6 513 514 A C H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.944 112.9 47.5 -60.0 -53.0 3.3 4.7 12.4 514 515 A S H X S+ 0 0 7 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.856 111.7 51.8 -58.9 -37.3 3.8 8.4 13.2 515 516 A S H X S+ 0 0 38 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.868 106.4 52.4 -70.4 -37.2 3.5 9.3 9.5 516 517 A I H X S+ 0 0 20 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.954 113.9 44.5 -61.5 -47.2 0.2 7.4 9.0 517 518 A L H X S+ 0 0 20 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.861 113.8 49.4 -65.2 -38.1 -1.2 9.3 12.0 518 519 A R H X S+ 0 0 57 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.942 111.1 49.5 -65.1 -49.6 0.2 12.6 10.8 519 520 A K H X S+ 0 0 92 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.906 109.6 52.9 -56.9 -43.4 -1.2 12.1 7.3 520 521 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.4 -5,-0.2 3,-0.5 0.955 110.2 46.4 -59.0 -51.2 -4.6 11.2 8.8 521 522 A E H ><5S+ 0 0 121 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.935 109.3 53.9 -56.0 -51.6 -4.8 14.4 10.9 522 523 A E H 3<5S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.779 107.4 52.7 -55.4 -29.9 -3.7 16.7 8.0 523 524 A E T <<5S- 0 0 97 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.166 123.6 -99.8 -96.0 18.6 -6.5 15.2 5.8 524 525 A G T < 5S+ 0 0 59 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.628 72.0 146.6 77.8 14.3 -9.2 15.9 8.3 525 526 A I < - 0 0 46 -5,-2.4 2,-0.2 -6,-0.2 -1,-0.2 -0.748 51.2-123.2 -88.0 124.0 -9.5 12.4 9.8 526 527 A K + 0 0 143 -2,-0.6 -5,-0.0 1,-0.1 -1,-0.0 -0.472 35.0 171.5 -65.4 126.5 -10.4 12.4 13.4 527 528 A V + 0 0 23 -2,-0.2 -1,-0.1 4,-0.0 -6,-0.1 0.271 30.0 126.9-120.6 8.9 -7.8 10.5 15.4 528 529 A D > - 0 0 44 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.463 67.6-122.5 -67.2 140.0 -8.8 11.2 18.9 529 530 A P H > S+ 0 0 45 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.856 107.4 56.9 -50.6 -43.2 -9.2 7.9 20.9 530 531 A E H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.971 110.9 41.0 -56.9 -57.1 -12.8 8.6 21.8 531 532 A T H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.924 115.6 51.5 -57.9 -47.0 -14.0 9.0 18.2 532 533 A L H X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.924 111.7 45.1 -58.4 -47.0 -11.9 6.1 17.0 533 534 A F H < S+ 0 0 23 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 107.7 60.4 -65.6 -34.9 -13.1 3.7 19.7 534 535 A K H < S+ 0 0 159 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.921 119.9 25.2 -57.6 -45.5 -16.7 4.8 19.1 535 536 A N H < S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.521 94.4 115.4-100.2 -6.1 -16.6 3.7 15.4 536 537 A A < - 0 0 9 -4,-1.9 62,-0.2 -5,-0.2 60,-0.1 -0.322 44.4-163.8 -67.1 147.2 -13.9 1.0 15.5 537 538 A D + 0 0 48 60,-1.9 61,-0.1 1,-0.1 -1,-0.1 0.913 13.9 172.4 -93.3 -74.8 -14.9 -2.6 14.6 538 539 A F + 0 0 6 59,-0.1 3,-0.5 1,-0.1 -443,-0.1 0.363 55.1 98.2 77.8 -4.2 -12.3 -5.1 15.8 539 540 A T S S+ 0 0 95 1,-0.2 -1,-0.1 -448,-0.1 -448,-0.1 0.478 78.0 58.5 -91.4 -1.2 -14.4 -8.2 15.0 540 541 A K S S+ 0 0 110 -448,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.268 73.4 158.6-119.8 43.8 -12.6 -8.7 11.6 541 542 A L - 0 0 23 -3,-0.5 2,-0.1 4,-0.1 -450,-0.1 -0.532 31.0-142.1 -75.6 129.6 -9.0 -9.1 12.8 542 543 A S > - 0 0 35 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.324 32.1 -99.7 -79.9 168.8 -6.6 -10.8 10.4 543 544 A E H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 124.0 52.9 -54.7 -46.5 -3.9 -13.2 11.7 544 545 A R H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 109.1 46.8 -54.4 -49.9 -1.3 -10.4 11.4 545 546 A E H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.846 112.8 50.8 -64.4 -34.0 -3.4 -7.9 13.5 546 547 A R H X S+ 0 0 64 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.889 107.8 51.6 -71.6 -38.0 -4.0 -10.6 16.1 547 548 A E H X S+ 0 0 55 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.882 110.0 53.1 -63.6 -35.6 -0.3 -11.4 16.2 548 549 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.904 108.6 45.8 -66.4 -45.0 0.2 -7.7 16.8 549 550 A V H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.903 114.2 49.2 -67.8 -39.1 -2.2 -7.3 19.7 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