==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-MAY-08 3D6U . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR W.LIU,E.TIPPMANN,A.V.MACK,P.G.SCHULTZ . 307 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 0 2 1 0 3 3 1 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 D > 0 0 137 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 152.3 9.5 -41.0 -11.1 2 3 A E H > + 0 0 88 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.963 360.0 46.4 -77.1 -47.0 8.7 -37.8 -13.0 3 4 A F H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.881 113.2 52.0 -52.8 -46.4 6.3 -39.2 -15.5 4 5 A E H > S+ 0 0 91 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.773 107.5 50.9 -68.6 -30.8 4.5 -41.1 -12.8 5 6 A M H < S+ 0 0 60 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.852 111.1 47.6 -77.1 -32.1 4.1 -38.1 -10.6 6 7 A I H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.948 114.6 48.9 -64.7 -46.4 2.6 -36.1 -13.5 7 8 A K H >< S+ 0 0 74 -4,-2.8 3,-2.2 -5,-0.2 -2,-0.2 0.727 83.5 114.2 -64.1 -27.9 0.3 -39.2 -14.1 8 9 A R T 3< S- 0 0 115 -4,-1.3 3,-0.1 1,-0.3 -3,-0.0 -0.276 92.0 -1.2 -51.8 123.7 -0.7 -39.5 -10.5 9 10 A N T 3 S+ 0 0 38 1,-0.3 -1,-0.3 2,-0.1 2,-0.3 0.663 100.5 126.7 67.9 22.9 -4.5 -38.7 -10.2 10 11 A T < - 0 0 26 -3,-2.2 182,-0.3 182,-0.2 -1,-0.3 -0.710 56.0-143.1 -96.4 160.9 -5.1 -38.0 -13.9 11 12 A S S S- 0 0 57 180,-3.0 2,-0.3 1,-0.3 181,-0.2 0.791 75.4 -16.1 -89.6 -35.7 -7.7 -39.7 -16.0 12 13 A E E -A 191 0A 46 179,-1.6 179,-2.7 2,-0.0 2,-0.4 -0.990 47.9-146.8-161.7 164.9 -5.7 -39.9 -19.1 13 14 A I E > -A 190 0A 16 -2,-0.3 3,-0.7 177,-0.2 2,-0.6 -0.984 24.3-131.6-136.9 125.8 -2.7 -38.7 -21.1 14 15 A I E 3 S-A 189 0A 28 175,-2.8 175,-1.9 -2,-0.4 173,-0.1 -0.874 92.6 -2.9-118.6 96.9 -2.6 -38.4 -24.8 15 16 A S T 3> - 0 0 18 -2,-0.6 4,-2.0 173,-0.2 -1,-0.4 0.675 56.8-170.0-123.9 160.9 -0.2 -39.7 -25.3 16 17 A E H <> S+ 0 0 60 -3,-0.7 4,-1.5 2,-0.2 -2,-0.1 0.832 96.9 54.3 -64.0 -36.5 2.1 -41.1 -22.7 17 18 A E H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.958 110.1 47.4 -59.5 -48.2 4.9 -41.7 -25.3 18 19 A E H > S+ 0 0 42 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.860 110.0 53.3 -63.3 -34.7 4.7 -38.1 -26.4 19 20 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.821 104.7 54.1 -67.1 -34.1 4.8 -37.0 -22.9 20 21 A R H X S+ 0 0 111 -4,-1.5 4,-0.8 -3,-0.5 -2,-0.2 0.951 108.8 48.8 -67.2 -44.4 8.0 -39.1 -22.4 21 22 A E H >X S+ 0 0 146 -4,-2.0 3,-1.1 1,-0.2 4,-0.8 0.934 110.8 52.6 -51.4 -54.4 9.6 -37.2 -25.3 22 23 A V H >< S+ 0 0 13 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.874 103.4 56.2 -49.8 -47.5 8.5 -33.9 -23.8 23 24 A L H 3< S+ 0 0 23 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.720 98.1 61.2 -65.5 -21.8 10.0 -34.6 -20.4 24 25 A K H << S+ 0 0 162 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.822 87.7 96.7 -71.4 -30.9 13.6 -35.2 -21.8 25 26 A K S << S- 0 0 87 -4,-0.8 3,-0.1 -3,-0.8 -3,-0.0 -0.206 74.3-136.4 -63.5 149.1 13.7 -31.7 -23.1 26 27 A D S S+ 0 0 158 1,-0.2 2,-0.5 33,-0.0 -1,-0.1 0.853 92.9 39.8 -71.6 -40.1 15.3 -28.9 -21.3 27 28 A E + 0 0 150 32,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.954 68.5 149.3-123.1 129.3 12.5 -26.5 -22.0 28 29 A K - 0 0 19 30,-0.5 32,-3.1 -2,-0.5 2,-0.3 -0.987 22.4-156.4-153.8 148.9 8.8 -27.4 -21.9 29 30 A S E -b 60 0A 14 -2,-0.3 135,-1.6 30,-0.3 136,-1.3 -0.933 1.3-158.3-131.7 152.7 5.7 -25.6 -21.1 30 31 A A E -bc 61 165A 0 30,-2.5 32,-2.5 -2,-0.3 2,-0.4 -0.989 12.3-162.2-132.0 132.2 2.2 -26.7 -20.0 31 32 A I E +bc 62 166A 6 134,-2.5 136,-2.6 -2,-0.4 2,-0.3 -0.882 10.6 179.6-113.9 153.8 -0.9 -24.6 -20.5 32 33 A I E -b 63 0A 1 30,-1.7 32,-2.7 -2,-0.4 2,-0.4 -0.979 14.8-147.5-141.6 143.9 -4.3 -24.7 -18.9 33 34 A G E -b 64 0A 6 134,-0.5 2,-0.4 -2,-0.3 32,-0.2 -0.920 11.9-173.8-111.8 147.5 -7.3 -22.4 -19.6 34 35 A F E -b 65 0A 9 30,-2.9 32,-2.6 -2,-0.4 36,-0.1 -0.984 26.0-133.6-134.7 124.6 -10.0 -21.3 -17.2 35 36 A E - 0 0 17 -2,-0.4 32,-0.1 30,-0.2 30,-0.0 -0.596 53.8 -96.6 -61.6 125.2 -13.2 -19.3 -17.8 36 37 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 49,-0.2 -0.218 47.6-151.2 -50.8 136.6 -13.0 -16.8 -14.9 37 38 A S - 0 0 8 47,-0.3 3,-0.1 1,-0.1 38,-0.0 -0.957 23.1-140.6-125.9 135.5 -15.0 -18.1 -12.0 38 39 A G S S+ 0 0 53 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.902 99.1 26.6 -55.3 -43.5 -16.9 -16.3 -9.2 39 40 A K S S- 0 0 86 -3,-0.1 2,-0.6 175,-0.0 -1,-0.2 -0.979 75.8-142.5-122.4 134.6 -15.7 -18.9 -6.8 40 41 A I - 0 0 0 -2,-0.4 174,-2.2 -3,-0.1 175,-0.4 -0.844 32.7-176.9 -92.8 121.7 -12.6 -21.1 -7.1 41 42 A H B > -F 213 0B 13 -2,-0.6 4,-2.3 172,-0.3 3,-0.5 -0.452 44.9 -85.7-115.4 177.7 -13.5 -24.5 -5.9 42 43 A L H > S+ 0 0 0 170,-1.8 4,-2.8 1,-0.2 5,-0.2 0.762 125.1 63.2 -57.8 -26.8 -11.7 -27.9 -5.3 43 44 A G H > S+ 0 0 18 169,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.932 107.5 42.4 -61.0 -44.4 -12.3 -28.7 -9.0 44 45 A H H >> S+ 0 0 16 -3,-0.5 4,-1.9 2,-0.2 3,-1.0 0.976 114.7 52.3 -59.9 -51.0 -10.1 -25.7 -9.9 45 46 A Y H 3X S+ 0 0 26 -4,-2.3 4,-2.8 1,-0.3 5,-0.2 0.838 101.1 57.9 -59.0 -44.4 -7.6 -26.8 -7.2 46 47 A L H 3X S+ 0 0 10 -4,-2.8 4,-1.5 1,-0.2 -1,-0.3 0.868 111.7 44.7 -50.1 -36.5 -7.2 -30.3 -8.4 47 48 A Q H S+ 0 0 0 -4,-1.6 5,-2.3 2,-0.2 3,-0.5 0.892 110.7 52.2 -65.7 -44.1 4.2 -30.1 -13.9 55 56 A Q H ><5S+ 0 0 40 -4,-2.6 3,-2.3 1,-0.2 -2,-0.2 0.951 108.6 52.2 -58.4 -46.1 6.0 -27.0 -12.6 56 57 A N H 3<5S+ 0 0 102 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.728 104.7 57.4 -61.0 -20.6 7.9 -29.4 -10.2 57 58 A A T 3<5S- 0 0 3 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.209 130.4 -95.3 -98.4 16.3 8.8 -31.4 -13.1 58 59 A G T < 5S+ 0 0 45 -3,-2.3 -30,-0.5 1,-0.3 2,-0.2 0.540 76.3 142.5 90.4 8.3 10.5 -28.4 -14.8 59 60 A F < - 0 0 7 -5,-2.3 2,-0.4 -8,-0.1 -1,-0.3 -0.590 51.9-127.2 -83.5 143.2 7.6 -27.2 -17.0 60 61 A D E -b 29 0A 93 -32,-3.1 -30,-2.5 -2,-0.2 2,-0.4 -0.805 32.9-140.1 -80.0 136.5 7.0 -23.5 -17.5 61 62 A I E -b 30 0A 5 37,-0.4 39,-2.6 -2,-0.4 2,-0.4 -0.871 18.8-171.1-109.3 129.2 3.3 -23.0 -16.7 62 63 A I E -bd 31 100A 39 -32,-2.5 -30,-1.7 -2,-0.4 2,-0.5 -0.977 5.3-162.4-120.8 131.5 0.9 -20.7 -18.5 63 64 A I E -bd 32 101A 0 37,-2.5 39,-2.9 -2,-0.4 2,-0.7 -0.984 9.1-151.6-113.3 115.7 -2.6 -20.0 -17.2 64 65 A L E -bd 33 102A 0 -32,-2.7 -30,-2.9 -2,-0.5 2,-1.3 -0.868 6.8-149.8 -88.2 114.8 -5.1 -18.6 -19.8 65 66 A L E -bd 34 103A 1 37,-3.7 2,-2.7 -2,-0.7 39,-1.9 -0.822 22.1-150.0 -77.7 91.2 -7.6 -16.5 -18.1 66 67 A A > + 0 0 0 -32,-2.6 4,-2.5 -2,-1.3 5,-0.2 -0.323 38.2 153.6 -80.6 65.3 -10.1 -17.5 -20.8 67 68 A D H > S+ 0 0 0 -2,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.900 70.0 45.2 -66.2 -39.2 -12.1 -14.3 -20.7 68 69 A L H > S+ 0 0 13 -3,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.872 111.5 55.7 -73.1 -35.9 -13.4 -14.3 -24.3 69 70 A F H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.950 109.8 45.5 -53.2 -55.4 -14.3 -18.0 -23.9 70 71 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 6,-0.3 0.918 111.2 53.8 -56.2 -40.1 -16.3 -17.0 -20.8 71 72 A Y H ><5S+ 0 0 104 -4,-2.7 3,-1.7 1,-0.3 5,-0.4 0.975 111.0 44.9 -60.0 -51.6 -17.9 -14.1 -22.8 72 73 A L H 3<5S+ 0 0 24 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.780 108.8 58.5 -62.7 -28.2 -18.9 -16.5 -25.5 73 74 A N T 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.026 120.1-108.4 -92.5 26.4 -20.2 -19.0 -22.9 74 75 A Q T < 5S+ 0 0 68 -3,-1.7 -3,-0.2 2,-0.1 -2,-0.1 0.827 74.6 139.0 55.9 37.0 -22.6 -16.3 -21.5 75 76 A K < - 0 0 75 -5,-2.5 2,-0.3 1,-0.3 -4,-0.2 0.407 69.5-105.5 -85.3 -1.5 -20.7 -15.6 -18.3 76 77 A G - 0 0 26 -5,-0.4 -1,-0.3 -6,-0.3 2,-0.2 -0.832 65.8 -1.2 121.6-148.0 -21.5 -11.9 -18.9 77 78 A E > - 0 0 117 -2,-0.3 4,-2.4 -3,-0.1 3,-0.2 -0.503 61.0-121.9 -94.1 152.5 -19.6 -8.9 -20.0 78 79 A L H > S+ 0 0 44 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.833 106.2 45.0 -72.9 -42.7 -16.0 -8.9 -20.8 79 80 A D H > S+ 0 0 110 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.843 115.2 50.3 -71.7 -27.6 -14.5 -6.4 -18.5 80 81 A E H > S+ 0 0 79 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.807 111.2 49.3 -69.0 -40.6 -16.5 -7.8 -15.6 81 82 A I H X S+ 0 0 2 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.916 108.1 54.9 -61.4 -44.2 -15.2 -11.3 -16.6 82 83 A R H X S+ 0 0 77 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.731 105.8 51.0 -65.1 -25.6 -11.6 -9.9 -16.7 83 84 A K H X S+ 0 0 131 -4,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.881 109.9 49.0 -78.7 -40.6 -12.0 -8.6 -13.1 84 85 A I H X S+ 0 0 45 -4,-1.8 4,-2.7 1,-0.2 -47,-0.3 0.923 110.0 54.1 -51.6 -46.1 -13.2 -12.1 -12.0 85 86 A G H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.877 104.8 53.6 -55.9 -36.0 -10.1 -13.3 -14.0 86 87 A D H X S+ 0 0 75 -4,-0.9 4,-1.1 1,-0.2 -1,-0.2 0.898 109.9 45.8 -71.4 -41.0 -8.0 -11.0 -11.9 87 88 A Y H X S+ 0 0 69 -4,-1.8 4,-2.6 2,-0.2 3,-0.3 0.888 107.9 58.0 -61.9 -43.4 -9.3 -12.4 -8.7 88 89 A N H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.929 103.3 54.2 -56.1 -47.1 -8.8 -16.0 -10.0 89 90 A K H X S+ 0 0 61 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.835 106.7 49.9 -52.1 -46.4 -5.1 -15.2 -10.5 90 91 A K H X S+ 0 0 116 -4,-1.1 4,-2.8 -3,-0.3 5,-0.2 0.958 111.5 50.1 -56.7 -52.5 -4.8 -14.1 -6.8 91 92 A V H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.909 111.5 47.9 -48.4 -45.8 -6.5 -17.4 -5.8 92 93 A F H <>S+ 0 0 0 -4,-2.5 5,-1.6 2,-0.2 -1,-0.2 0.856 110.8 50.4 -70.3 -37.1 -4.0 -19.3 -8.0 93 94 A E H ><5S+ 0 0 58 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.922 106.1 55.5 -65.2 -42.1 -1.1 -17.5 -6.6 94 95 A A H 3<5S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.688 99.9 62.3 -63.9 -21.3 -2.3 -18.3 -3.1 95 96 A M T 3<5S- 0 0 14 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.487 121.9-108.6 -75.2 -3.7 -2.3 -22.0 -4.2 96 97 A G T < 5 + 0 0 28 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.656 64.5 155.3 85.3 12.3 1.5 -21.7 -4.7 97 98 A L < - 0 0 8 -5,-1.6 2,-0.7 1,-0.0 -1,-0.3 -0.597 33.9-153.3 -75.2 133.8 1.4 -21.9 -8.5 98 99 A K + 0 0 151 -2,-0.3 -37,-0.4 2,-0.0 2,-0.3 -0.929 44.0 134.1-102.8 106.5 4.4 -20.2 -10.2 99 100 A A - 0 0 28 -2,-0.7 2,-0.5 -39,-0.1 -37,-0.2 -0.969 59.3-112.6-149.0 160.0 2.9 -19.2 -13.6 100 101 A K E -d 62 0A 155 -39,-2.6 -37,-2.5 -2,-0.3 2,-0.4 -0.890 35.1-148.4 -93.7 129.2 2.5 -16.7 -16.4 101 102 A Y E -d 63 0A 36 -2,-0.5 2,-0.4 -39,-0.2 -37,-0.2 -0.860 15.2-174.1-100.8 125.7 -1.1 -15.5 -16.6 102 103 A V E -d 64 0A 47 -39,-2.9 -37,-3.7 -2,-0.4 2,-0.5 -0.975 19.6-140.4-119.8 136.2 -2.5 -14.4 -20.0 103 104 A Y E > -d 65 0A 34 -2,-0.4 3,-1.1 -39,-0.2 4,-0.3 -0.859 18.0-137.2 -89.9 129.5 -5.9 -12.9 -20.7 104 105 A G T >> S+ 0 0 0 -39,-1.9 3,-2.3 -2,-0.5 4,-2.0 0.911 99.1 61.5 -58.7 -44.9 -7.3 -14.4 -23.9 105 106 A S H 3> S+ 0 0 23 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.723 87.3 74.5 -55.6 -20.5 -8.6 -11.0 -25.2 106 107 A S H <4 S+ 0 0 79 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.794 122.6 5.3 -68.9 -23.2 -5.0 -9.6 -25.3 107 108 A F H X4 S+ 0 0 48 -3,-2.3 3,-1.2 -4,-0.3 6,-0.3 0.540 110.7 83.6-130.7 -8.3 -4.3 -11.8 -28.3 108 109 A M H 3< S+ 0 0 3 -4,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.447 90.4 54.9 -82.7 -7.5 -7.6 -13.5 -29.4 109 110 A L T 3< S+ 0 0 117 -4,-0.5 -1,-0.3 -5,-0.2 2,-0.2 0.122 82.8 119.7-109.4 14.9 -8.8 -10.5 -31.4 110 111 A D S <> S- 0 0 75 -3,-1.2 4,-3.3 1,-0.1 5,-0.2 -0.547 75.2-116.6 -83.4 156.0 -5.7 -10.4 -33.4 111 112 A K H > S+ 0 0 175 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.869 114.9 46.9 -65.5 -44.0 -6.0 -10.8 -37.2 112 113 A D H > S+ 0 0 83 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.891 112.6 51.5 -64.7 -38.5 -4.0 -14.0 -37.4 113 114 A Y H > S+ 0 0 1 -6,-0.3 4,-1.8 2,-0.2 3,-0.3 0.972 111.9 46.9 -60.5 -52.2 -6.0 -15.4 -34.4 114 115 A T H X S+ 0 0 40 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.881 108.0 54.0 -62.0 -35.3 -9.2 -14.5 -36.1 115 116 A L H X S+ 0 0 119 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.841 107.5 52.1 -64.3 -36.9 -8.2 -16.0 -39.5 116 117 A N H X S+ 0 0 35 -4,-1.7 4,-2.7 -3,-0.3 -1,-0.2 0.865 105.3 55.7 -67.7 -34.7 -7.4 -19.3 -37.8 117 118 A V H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.962 113.0 40.7 -56.7 -49.9 -10.8 -19.3 -36.2 118 119 A Y H X S+ 0 0 149 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.867 113.8 53.3 -70.2 -37.8 -12.5 -18.9 -39.7 119 120 A R H >< S+ 0 0 86 -4,-2.5 3,-0.7 1,-0.2 4,-0.4 0.943 114.1 42.3 -56.2 -47.9 -10.1 -21.4 -41.3 120 121 A L H >X S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 4,-1.1 0.839 105.4 63.6 -73.6 -30.1 -11.0 -23.9 -38.5 121 122 A A H 3< S+ 0 0 53 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.786 100.6 54.4 -63.9 -25.5 -14.7 -23.0 -38.8 122 123 A L T << S+ 0 0 150 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.713 113.0 42.2 -74.0 -19.6 -14.4 -24.4 -42.5 123 124 A K T <4 S+ 0 0 115 -3,-1.2 2,-0.5 -4,-0.4 -2,-0.2 0.494 101.4 78.9-110.2 -11.8 -13.1 -27.8 -41.2 124 125 A T S < S- 0 0 17 -4,-1.1 2,-0.1 4,-0.0 -1,-0.1 -0.890 72.4-136.9-111.2 125.6 -15.3 -28.3 -38.2 125 126 A T > - 0 0 82 -2,-0.5 4,-2.8 1,-0.1 5,-0.2 -0.413 16.2-128.6 -73.6 150.3 -18.8 -29.5 -38.5 126 127 A L H > S+ 0 0 126 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.847 111.1 56.4 -61.5 -38.9 -21.6 -28.0 -36.5 127 128 A K H > S+ 0 0 155 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.985 111.1 43.1 -57.5 -52.1 -22.6 -31.4 -35.3 128 129 A R H > S+ 0 0 46 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.950 112.7 52.3 -61.3 -48.8 -19.0 -32.0 -34.0 129 130 A A H X S+ 0 0 3 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.911 112.6 45.6 -48.3 -50.0 -18.7 -28.5 -32.5 130 131 A R H >< S+ 0 0 105 -4,-2.6 3,-0.7 2,-0.2 4,-0.4 0.942 112.1 50.5 -67.0 -43.3 -22.0 -29.0 -30.6 131 132 A R H >< S+ 0 0 83 -4,-2.9 3,-1.9 -5,-0.2 4,-0.3 0.943 107.5 55.4 -55.8 -44.1 -21.0 -32.5 -29.4 132 133 A S H 3< S+ 0 0 3 -4,-3.0 43,-0.5 1,-0.3 3,-0.3 0.791 110.1 47.6 -62.1 -23.3 -17.6 -31.1 -28.1 133 134 A M T XX S+ 0 0 0 -4,-0.9 4,-2.9 -3,-0.7 3,-1.4 0.418 75.0 106.4-100.9 -1.8 -19.5 -28.6 -26.0 134 135 A E T <4 S+ 0 0 136 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.1 0.850 91.7 35.5 -54.7 -32.7 -22.1 -30.8 -24.4 135 136 A L T 34 S+ 0 0 133 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.577 125.5 40.4 -96.2 -3.2 -20.3 -30.7 -21.0 136 137 A I T <4 S+ 0 0 18 -3,-1.4 -2,-0.2 35,-0.1 -3,-0.1 0.830 85.1 98.9-109.1 -45.2 -19.1 -27.1 -21.3 137 138 A A S < S- 0 0 23 -4,-2.9 3,-0.1 -7,-0.2 -64,-0.1 -0.205 77.6-110.2 -60.6 130.4 -21.8 -25.0 -22.9 138 139 A R - 0 0 129 1,-0.1 2,-0.2 -65,-0.1 -1,-0.1 -0.222 48.6 -85.2 -49.4 145.4 -24.0 -22.9 -20.6 139 140 A E + 0 0 189 4,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.401 61.6 165.0 -60.9 126.6 -27.5 -24.2 -20.3 140 141 A D - 0 0 41 -2,-0.2 -3,-0.0 -3,-0.1 -1,-0.0 -0.897 37.7-159.3-154.9 118.1 -29.6 -22.7 -23.1 141 142 A E S S+ 0 0 189 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.786 102.3 36.2 -66.5 -24.6 -33.0 -23.7 -24.5 142 143 A N S S- 0 0 114 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 -0.717 95.6-141.2-127.3 77.2 -32.1 -21.9 -27.8 143 144 A P - 0 0 58 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.081 17.2-133.4 -51.7 138.9 -28.3 -22.6 -28.3 144 145 A K > - 0 0 97 1,-0.1 3,-1.7 0, 0.0 4,-0.4 -0.486 19.4-114.9 -92.6 155.8 -26.4 -19.6 -29.7 145 146 A V T >> S+ 0 0 110 1,-0.3 3,-1.6 2,-0.2 4,-1.3 0.821 113.0 74.1 -54.8 -31.5 -23.9 -19.4 -32.5 146 147 A A H 3> S+ 0 0 23 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.796 85.3 66.1 -50.9 -36.6 -21.4 -18.4 -29.7 147 148 A E H <4 S+ 0 0 21 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.794 104.5 40.4 -56.6 -34.8 -21.5 -22.1 -28.6 148 149 A V H <> S+ 0 0 21 -3,-1.6 4,-0.9 -4,-0.4 -1,-0.2 0.691 110.0 58.0 -97.7 -17.4 -19.9 -23.5 -31.7 149 150 A I H X S+ 0 0 59 -4,-1.3 4,-2.0 1,-0.2 3,-0.3 0.929 96.9 66.4 -70.1 -42.7 -17.4 -20.6 -32.0 150 151 A Y H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.876 101.3 43.9 -43.4 -57.0 -16.0 -21.5 -28.5 151 152 A P H > S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.852 110.8 53.7 -70.0 -27.9 -14.5 -24.9 -29.4 152 153 A I H < S+ 0 0 7 -4,-0.9 -2,-0.2 -3,-0.3 3,-0.2 0.858 108.9 49.3 -72.7 -26.9 -13.0 -23.8 -32.6 153 154 A M H >< S+ 0 0 16 -4,-2.0 3,-1.8 -3,-0.3 6,-0.2 0.948 108.1 56.2 -68.5 -40.6 -11.2 -20.9 -30.6 154 155 A Q H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.718 108.9 45.7 -62.5 -19.3 -10.1 -23.6 -28.1 155 156 A V T 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.302 81.8 129.9-105.7 4.2 -8.4 -25.6 -30.9 156 157 A N X - 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