==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 04-AUG-04 1U7X . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR Y.ZHANG,L.WANG,P.G.SCHULTZ,I.A.WILSON . 612 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 46 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 0 0 4 0 0 4 6 3 1 0 1 4 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 2 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 PARALLEL BRIDGES PER LADDER . 8 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 . 0 0 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 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 1 A M 0 0 210 0, 0.0 5,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 175.1 15.6 65.1 40.6 2 2 A D > - 0 0 75 3,-0.2 4,-2.9 2,-0.1 5,-0.2 0.896 360.0-132.1 71.8 100.3 15.6 62.5 43.4 3 3 A E H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.868 108.2 58.2 -46.0 -42.3 18.3 59.8 42.7 4 4 A F H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.967 109.1 41.3 -52.6 -60.7 15.6 57.3 43.5 5 5 A E H > S+ 0 0 82 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.902 111.8 56.6 -58.0 -42.3 13.2 58.6 40.9 6 6 A M H < S+ 0 0 86 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.869 113.3 39.7 -58.9 -37.3 16.1 59.0 38.4 7 7 A I H < S+ 0 0 1 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.887 116.1 52.8 -75.9 -40.5 17.1 55.3 38.7 8 8 A K H >< S+ 0 0 64 -4,-2.9 3,-1.9 -5,-0.3 -2,-0.2 0.835 84.9 110.5 -62.0 -36.9 13.4 54.3 38.8 9 9 A R T 3< S- 0 0 114 -4,-3.0 3,-0.1 1,-0.3 -3,-0.0 -0.128 91.1 -3.5 -50.2 131.0 12.6 56.2 35.6 10 10 A N T 3 S+ 0 0 32 1,-0.2 -1,-0.3 183,-0.1 2,-0.2 0.642 97.9 136.1 60.0 20.9 11.8 53.9 32.6 11 11 A T < - 0 0 26 -3,-1.9 182,-0.2 182,-0.2 -1,-0.2 -0.598 55.3-142.9 -93.2 159.9 12.5 50.7 34.6 12 12 A S S S- 0 0 47 180,-2.7 2,-0.2 1,-0.4 181,-0.2 0.645 78.2 -23.1 -93.9 -17.6 10.2 47.7 34.4 13 13 A E E -A 192 0A 49 179,-1.2 179,-2.4 -5,-0.1 2,-0.5 -0.882 44.5-141.1 174.6 153.2 10.7 46.9 38.0 14 14 A I E -A 191 0A 15 -2,-0.2 2,-0.9 177,-0.2 3,-0.2 -0.923 31.1-130.3-128.3 101.4 12.9 47.3 41.1 15 15 A I E S-A 190 0A 28 175,-2.5 175,-0.7 -2,-0.5 -2,-0.0 -0.374 93.2 -3.0 -58.1 98.4 13.0 44.1 43.1 16 16 A S > - 0 0 37 -2,-0.9 4,-1.5 173,-0.1 -1,-0.2 0.947 64.4-162.8 77.9 87.3 12.3 45.7 46.5 17 17 A E H > S+ 0 0 86 -3,-0.2 4,-2.2 1,-0.2 5,-0.1 0.870 93.8 60.4 -62.1 -33.5 12.1 49.5 46.1 18 18 A E H > S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.937 101.6 49.1 -59.1 -51.1 12.5 49.4 49.9 19 19 A E H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.834 109.6 52.8 -60.2 -33.1 15.9 47.7 49.7 20 20 A L H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.909 102.8 58.3 -68.5 -42.2 17.1 50.3 47.0 21 21 A R H X S+ 0 0 106 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.916 111.4 42.8 -49.7 -45.4 16.0 53.1 49.4 22 22 A E H X S+ 0 0 114 -4,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.908 109.9 54.6 -69.9 -44.6 18.4 51.7 51.9 23 23 A V H >< S+ 0 0 15 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.950 103.5 57.6 -55.8 -50.1 21.3 50.9 49.5 24 24 A L H 3< S+ 0 0 19 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.878 97.4 61.0 -46.3 -47.4 21.2 54.5 48.3 25 25 A K H 3< S+ 0 0 176 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.737 85.5 99.8 -56.4 -23.1 21.9 55.7 51.9 26 26 A K S << S- 0 0 86 -3,-2.2 3,-0.1 -4,-0.7 -3,-0.0 -0.398 70.1-144.4 -67.5 140.0 25.2 53.8 51.9 27 27 A D S S+ 0 0 148 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.640 92.5 43.1 -78.6 -12.9 28.3 55.8 51.2 28 28 A E S S+ 0 0 129 -5,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.919 75.1 152.5-136.0 107.1 29.8 52.9 49.3 29 29 A K E -b 60 0A 18 30,-0.8 32,-3.1 -2,-0.4 2,-0.4 -0.996 23.1-155.6-142.8 144.0 27.7 51.0 46.8 30 30 A S E -b 61 0A 28 -2,-0.4 135,-2.5 30,-0.3 136,-1.8 -0.888 4.6-170.6-121.1 146.1 28.1 48.9 43.7 31 31 A A E -bc 62 166A 0 30,-2.3 32,-1.7 -2,-0.4 2,-0.4 -0.998 9.1-167.1-134.0 131.7 25.9 47.9 40.7 32 32 A Q E +bc 63 167A 9 134,-2.8 136,-2.4 -2,-0.4 2,-0.3 -0.927 8.6 177.5-123.3 144.0 26.7 45.3 38.0 33 33 A I E -bc 64 168A 3 30,-1.9 32,-2.2 -2,-0.4 2,-0.4 -0.988 21.5-133.5-138.9 145.8 25.2 44.5 34.6 34 34 A G E +b 65 0A 35 134,-0.6 2,-0.4 -2,-0.3 32,-0.2 -0.855 20.0 177.5-111.5 142.5 26.4 41.9 32.1 35 35 A F E -b 66 0A 16 30,-2.7 32,-1.4 -2,-0.4 33,-0.1 -0.991 23.0-141.6-139.4 126.1 26.8 42.2 28.3 36 36 A E - 0 0 62 -2,-0.4 32,-0.1 30,-0.2 30,-0.1 -0.695 51.4 -87.0 -81.3 136.1 28.2 39.5 26.0 37 37 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 49,-0.1 -0.180 51.4-156.7 -48.8 129.7 30.4 41.3 23.4 38 38 A S - 0 0 10 47,-0.2 3,-0.1 1,-0.1 51,-0.1 -0.877 22.5-140.6-115.3 145.6 28.2 42.5 20.5 39 39 A G S S+ 0 0 55 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.948 96.8 24.2 -64.3 -48.6 29.3 43.2 17.0 40 40 A K S S- 0 0 79 -3,-0.1 2,-0.6 174,-0.0 -1,-0.2 -0.964 76.8-139.5-122.2 136.5 27.0 46.2 16.9 41 41 A I - 0 0 1 -2,-0.4 174,-2.6 -3,-0.1 175,-0.4 -0.854 31.2-174.1 -93.2 117.3 25.7 48.2 19.9 42 42 A H B >> -F 214 0B 18 -2,-0.6 4,-2.5 172,-0.3 3,-1.2 -0.494 44.8 -87.3-108.1 178.0 22.1 49.0 19.4 43 43 A L H 3> S+ 0 0 0 170,-1.6 4,-3.9 1,-0.3 5,-0.2 0.799 123.8 67.0 -52.3 -28.5 19.5 51.1 21.3 44 44 A G H 3> S+ 0 0 13 161,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.917 106.9 36.4 -59.9 -46.3 18.9 48.0 23.3 45 45 A H H X> S+ 0 0 21 -3,-1.2 4,-3.0 2,-0.2 3,-0.6 0.967 117.3 53.7 -68.9 -52.9 22.3 48.2 24.9 46 46 A Y H 3X S+ 0 0 32 -4,-2.5 4,-2.9 1,-0.3 5,-0.2 0.884 101.3 59.4 -47.6 -46.5 22.1 51.9 25.0 47 47 A L H 3X S+ 0 0 11 -4,-3.9 4,-1.3 -5,-0.2 -1,-0.3 0.939 114.9 36.6 -49.3 -49.8 18.8 51.8 26.8 48 48 A Q H <>S+ 0 0 0 -4,-1.7 5,-1.7 1,-0.2 3,-1.2 0.744 109.5 63.9 -59.4 -24.6 23.2 54.7 39.0 56 56 A Q H ><5S+ 0 0 31 -4,-1.8 3,-1.4 1,-0.3 2,-0.3 0.967 100.3 49.4 -63.9 -52.8 26.6 56.1 38.1 57 57 A N T 3<5S+ 0 0 110 -4,-2.8 -1,-0.3 -3,-0.3 -2,-0.2 0.090 105.5 62.2 -75.8 28.1 25.5 59.6 39.0 58 58 A A T < 5S- 0 0 5 -3,-1.2 -1,-0.3 -2,-0.3 -2,-0.2 0.240 123.7 -87.7-135.2 11.7 24.2 58.4 42.3 59 59 A G T < 5S+ 0 0 44 -3,-1.4 -30,-0.8 1,-0.3 2,-0.3 0.318 82.4 137.5 99.9 -8.2 27.3 57.1 44.0 60 60 A F E < -b 29 0A 8 -5,-1.7 2,-0.8 -6,-0.1 -1,-0.3 -0.533 53.6-132.1 -77.1 136.7 27.1 53.6 42.6 61 61 A D E -b 30 0A 90 -32,-3.1 -30,-2.3 -2,-0.3 2,-0.3 -0.802 27.9-142.2 -87.6 113.8 30.3 52.0 41.4 62 62 A I E -b 31 0A 7 -2,-0.8 39,-1.9 37,-0.4 2,-0.4 -0.593 18.9-173.7 -82.7 137.9 29.5 50.5 38.0 63 63 A I E -bd 32 101A 29 -32,-1.7 -30,-1.9 -2,-0.3 2,-0.9 -0.979 9.5-160.1-130.2 114.9 30.8 47.2 36.8 64 64 A I E -bd 33 102A 0 37,-3.1 39,-1.7 -2,-0.4 2,-0.6 -0.837 14.1-154.0 -99.1 102.3 30.2 46.1 33.2 65 65 A L E -bd 34 103A 6 -32,-2.2 -30,-2.7 -2,-0.9 2,-0.7 -0.654 6.2-147.4 -78.6 119.4 30.7 42.4 33.2 66 66 A L E -bd 35 104A 0 37,-3.7 2,-2.2 -2,-0.6 39,-2.0 -0.802 2.5-147.9 -96.6 113.4 31.7 41.2 29.7 67 67 A A > + 0 0 22 -32,-1.4 4,-0.9 -2,-0.7 37,-0.1 -0.393 46.8 139.4 -73.9 62.1 30.5 37.7 28.9 68 68 A D H > + 0 0 0 -2,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.766 63.9 66.0 -79.4 -22.5 33.3 36.6 26.6 69 69 A L H > S+ 0 0 6 -3,-0.3 4,-2.1 2,-0.2 5,-0.3 0.943 96.5 53.0 -61.8 -52.1 33.3 33.1 28.2 70 70 A H H > S+ 0 0 51 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.916 109.5 50.0 -50.0 -46.8 29.9 32.2 26.8 71 71 A A H < S+ 0 0 7 -4,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.892 108.8 54.7 -59.6 -39.2 31.2 33.3 23.3 72 72 A Y H >X S+ 0 0 55 -4,-1.8 4,-0.7 1,-0.2 3,-0.6 0.980 117.9 30.6 -55.8 -66.3 34.3 31.0 23.9 73 73 A L H 3< S+ 0 0 20 -4,-2.1 2,-1.8 1,-0.3 -2,-0.2 0.914 109.0 68.3 -60.2 -51.0 32.4 27.8 24.6 74 74 A N T 3< S- 0 0 55 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.1 0.064 122.2 -96.7 -64.5 31.4 29.4 28.5 22.5 75 75 A Q T <4 S+ 0 0 145 -2,-1.8 2,-0.3 -3,-0.6 -2,-0.2 0.950 84.1 114.5 49.1 87.6 31.6 28.1 19.4 76 76 A K < - 0 0 137 -4,-0.7 -1,-0.1 1,-0.5 3,-0.1 -0.801 68.4 -27.9-157.8-165.6 32.6 31.7 18.5 77 77 A G S S- 0 0 31 -2,-0.3 -1,-0.5 1,-0.1 2,-0.2 0.257 70.1 -92.8 -49.2 179.1 36.0 33.4 18.4 78 78 A E >> - 0 0 112 1,-0.1 4,-2.6 -3,-0.1 3,-0.8 -0.638 44.3-102.3 -89.9 154.9 38.9 32.7 20.6 79 79 A L H 3> S+ 0 0 39 1,-0.3 4,-2.9 -2,-0.2 5,-0.2 0.870 123.6 52.9 -46.3 -46.1 39.1 34.8 23.9 80 80 A D H 3> S+ 0 0 106 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.889 111.9 46.5 -57.9 -39.4 41.8 37.1 22.4 81 81 A E H <> S+ 0 0 89 -3,-0.8 4,-1.0 2,-0.2 3,-0.3 0.906 112.9 49.0 -69.2 -41.9 39.5 37.7 19.4 82 82 A I H X S+ 0 0 7 -4,-2.6 4,-3.3 1,-0.2 3,-0.4 0.854 102.1 62.3 -64.1 -39.8 36.5 38.3 21.7 83 83 A R H X S+ 0 0 74 -4,-2.9 4,-2.5 1,-0.3 -1,-0.2 0.871 102.8 53.1 -52.4 -40.2 38.5 40.7 23.9 84 84 A K H < S+ 0 0 149 -4,-1.0 4,-0.3 -3,-0.3 -1,-0.3 0.827 110.1 44.2 -67.8 -35.6 38.8 42.8 20.7 85 85 A I H >X S+ 0 0 75 -4,-1.0 4,-1.6 -3,-0.4 3,-1.2 0.944 117.3 48.4 -71.5 -47.4 35.0 42.8 20.1 86 86 A G H 3X S+ 0 0 0 -4,-3.3 4,-0.9 1,-0.3 -2,-0.2 0.789 105.2 55.6 -61.8 -35.0 34.5 43.5 23.8 87 87 A D H 3X S+ 0 0 61 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.3 0.564 105.3 54.5 -77.7 -6.4 37.1 46.3 24.0 88 88 A Y H <> S+ 0 0 67 -3,-1.2 4,-2.2 -4,-0.3 -2,-0.2 0.860 101.9 56.5 -85.3 -45.1 35.2 48.1 21.2 89 89 A N H X S+ 0 0 2 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.787 104.8 55.1 -55.1 -29.2 32.0 47.9 23.3 90 90 A K H X S+ 0 0 72 -4,-0.9 4,-3.3 2,-0.2 5,-0.3 0.973 104.1 51.1 -68.9 -53.5 34.0 49.7 25.9 91 91 A K H X S+ 0 0 136 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.845 113.9 47.4 -49.8 -39.0 34.9 52.6 23.5 92 92 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.976 111.5 47.1 -67.7 -57.5 31.2 52.8 22.7 93 93 A F H X>S+ 0 0 1 -4,-2.6 5,-2.1 1,-0.3 4,-0.8 0.860 112.3 51.1 -54.1 -37.7 30.0 52.7 26.4 94 94 A E H ><5S+ 0 0 94 -4,-3.3 3,-1.2 3,-0.2 -1,-0.3 0.930 107.1 55.0 -64.9 -41.2 32.6 55.3 27.2 95 95 A A H 3<5S+ 0 0 10 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.878 104.6 53.1 -57.5 -37.7 31.1 57.3 24.2 96 96 A M H 3<5S- 0 0 19 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.718 127.7-102.2 -70.7 -19.5 27.7 57.0 25.9 97 97 A G T <<5 + 0 0 29 -3,-1.2 2,-0.8 -4,-0.8 -3,-0.2 0.765 67.7 153.3 100.5 36.3 29.3 58.5 29.0 98 98 A L < - 0 0 2 -5,-2.1 2,-1.4 -8,-0.2 -1,-0.2 -0.835 24.3-171.4-103.5 101.0 29.6 55.3 31.1 99 99 A K + 0 0 181 -2,-0.8 -37,-0.4 -46,-0.1 2,-0.2 -0.721 39.1 135.5 -90.1 87.6 32.4 55.6 33.6 100 100 A A - 0 0 24 -2,-1.4 2,-0.5 -39,-0.1 -37,-0.2 -0.697 59.4-105.6-126.2 178.8 32.4 52.0 34.7 101 101 A K E -d 63 0A 150 -39,-1.9 -37,-3.1 -2,-0.2 2,-0.5 -0.928 35.0-148.1-107.1 132.2 34.9 49.2 35.5 102 102 A Y E +d 64 0A 39 -2,-0.5 2,-0.3 -39,-0.2 -37,-0.2 -0.886 19.2 174.7-108.4 133.9 35.0 46.5 32.8 103 103 A V E -d 65 0A 38 -39,-1.7 -37,-3.7 -2,-0.5 2,-0.5 -0.913 25.7-136.4-131.5 159.3 35.7 42.8 33.4 104 104 A Y E > -d 66 0A 19 -2,-0.3 3,-1.8 -39,-0.2 4,-0.3 -0.971 13.5-143.4-116.2 116.9 35.8 39.6 31.4 105 105 A G G >> S+ 0 0 0 -39,-2.0 4,-3.6 -2,-0.5 3,-1.7 0.753 94.7 80.9 -52.0 -19.8 34.2 36.7 33.1 106 106 A S G 34 S+ 0 0 21 -40,-0.4 -1,-0.3 1,-0.3 -39,-0.1 0.318 88.2 54.3 -70.9 10.3 36.9 34.7 31.4 107 107 A T G <4 S+ 0 0 81 -3,-1.8 -1,-0.3 4,-0.0 -2,-0.2 0.434 126.7 13.3-121.0 -7.1 39.3 35.7 34.1 108 108 A F T X4 S+ 0 0 13 -3,-1.7 3,-0.5 -4,-0.3 6,-0.2 0.511 104.9 82.2-138.4 -26.0 37.3 34.6 37.1 109 109 A Q T 3< S+ 0 0 18 -4,-3.6 -3,-0.1 1,-0.2 -4,-0.1 0.365 103.0 35.6 -69.6 7.6 34.5 32.3 35.8 110 110 A L T 3 S+ 0 0 16 -5,-0.2 -1,-0.2 4,-0.0 312,-0.2 0.492 86.7 120.1-129.7 -18.2 36.8 29.3 35.6 111 111 A D S <> S- 0 0 56 -3,-0.5 4,-2.2 3,-0.1 5,-0.2 0.012 75.7-103.9 -45.1 155.4 39.0 29.8 38.6 112 112 A K H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.961 115.1 42.5 -49.9 -75.4 39.0 27.1 41.3 113 113 A D H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.806 113.2 55.9 -45.9 -35.7 36.9 28.6 44.1 114 114 A Y H > S+ 0 0 8 2,-0.2 4,-2.8 -6,-0.2 3,-0.3 0.988 107.7 45.4 -62.9 -58.3 34.4 30.0 41.6 115 115 A T H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.906 111.4 57.3 -49.4 -44.4 33.6 26.6 39.9 116 116 A L H X S+ 0 0 17 -4,-2.3 4,-3.1 -5,-0.2 -1,-0.2 0.914 107.4 43.8 -54.5 -50.3 33.3 25.2 43.4 117 117 A N H X S+ 0 0 37 -4,-2.1 4,-3.4 -3,-0.3 5,-0.3 0.940 111.5 56.6 -62.8 -45.1 30.6 27.6 44.5 118 118 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 3,-0.3 0.964 110.4 42.1 -47.7 -62.3 28.9 27.0 41.2 119 119 A Y H X S+ 0 0 15 -4,-3.0 4,-1.3 1,-0.3 -1,-0.2 0.943 112.8 56.0 -50.1 -50.1 28.8 23.3 41.8 120 120 A R H >X S+ 0 0 82 -4,-3.1 3,-0.7 1,-0.3 4,-0.5 0.895 108.2 47.4 -47.1 -47.1 27.8 24.1 45.5 121 121 A L H >< S+ 0 0 14 -4,-3.4 3,-1.5 -3,-0.3 -1,-0.3 0.877 100.9 66.4 -64.3 -37.5 24.9 26.2 44.1 122 122 A A H >< S+ 0 0 1 -4,-2.5 3,-1.4 -5,-0.3 332,-1.2 0.834 91.8 62.6 -54.4 -34.1 23.9 23.3 41.8 123 123 A L H << S+ 0 0 44 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.795 109.7 39.9 -62.0 -28.9 23.0 21.2 44.9 124 124 A K T << S+ 0 0 123 -3,-1.5 2,-0.4 -4,-0.5 -1,-0.3 -0.037 96.8 90.6-112.5 31.5 20.3 23.6 45.8 125 125 A T S < S- 0 0 3 -3,-1.4 328,-2.2 4,-0.0 329,-0.3 -0.935 70.2-135.3-131.7 109.9 18.9 24.5 42.4 126 126 A T B > -G 452 0C 33 -2,-0.4 4,-2.4 326,-0.2 326,-0.3 -0.297 18.6-123.8 -63.4 142.0 16.0 22.4 41.0 127 127 A L H > S+ 0 0 0 324,-2.8 4,-2.4 1,-0.2 -1,-0.1 0.866 113.9 49.6 -51.3 -33.9 16.2 21.2 37.4 128 128 A K H > S+ 0 0 87 323,-0.4 4,-2.6 2,-0.2 5,-0.3 0.950 106.6 47.9 -74.3 -52.0 12.9 23.0 37.1 129 129 A R H > S+ 0 0 79 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.868 116.5 49.4 -58.9 -32.3 13.5 26.4 38.6 130 130 A A H >X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 3,-1.1 0.972 110.4 46.5 -70.4 -54.6 16.7 26.4 36.5 131 131 A R H 3X S+ 0 0 60 -4,-2.4 4,-1.0 1,-0.3 -2,-0.2 0.933 109.4 54.0 -52.5 -52.0 15.0 25.5 33.2 132 132 A R H 3X S+ 0 0 118 -4,-2.6 4,-0.7 1,-0.2 -1,-0.3 0.738 104.9 57.9 -56.6 -23.9 12.2 28.0 33.6 133 133 A S H XX S+ 0 0 2 -3,-1.1 3,-1.1 -4,-0.7 4,-0.7 0.974 108.3 42.7 -68.6 -56.3 14.9 30.6 34.1 134 134 A M H 3X S+ 0 0 29 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.589 99.0 80.5 -65.8 -10.3 16.4 29.9 30.8 135 135 A E H 3< S+ 0 0 93 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.904 88.5 51.6 -63.1 -43.2 12.9 29.8 29.4 136 136 A L H << S+ 0 0 65 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.867 111.1 51.2 -61.9 -38.6 12.6 33.6 29.2 137 137 A I H < S- 0 0 47 -4,-0.7 -2,-0.1 35,-0.2 2,-0.1 0.919 120.0 -2.2 -64.2 -98.0 15.8 33.8 27.3 138 138 A A S < S- 0 0 66 -4,-0.7 -1,-0.1 1,-0.1 0, 0.0 -0.431 75.1-104.6 -94.0 169.9 15.8 31.4 24.3 139 139 A R - 0 0 100 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.892 62.4 -97.3 -63.3 -75.9 13.1 29.0 23.2 140 140 A E - 0 0 75 3,-0.1 -1,-0.0 -6,-0.0 -5,-0.0 0.704 38.0 -93.7 150.7 87.1 14.8 25.5 24.3 141 141 A D - 0 0 92 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.443 41.9-103.8 -7.1 151.8 16.8 23.2 22.1 142 142 A E S S+ 0 0 191 1,-0.3 -1,-0.1 2,-0.0 0, 0.0 0.961 121.9 15.5 -50.1 -56.2 14.8 20.4 20.5 143 143 A N S S- 0 0 75 291,-0.0 -1,-0.3 292,-0.0 -2,-0.1 -0.901 100.9-134.6-125.6 97.1 16.5 18.2 23.0 144 144 A P - 0 0 13 0, 0.0 290,-3.4 0, 0.0 291,-0.3 -0.064 14.7-138.5 -50.3 142.7 18.0 20.5 25.8 145 145 A K B >> -H 433 0D 29 288,-0.3 3,-0.8 289,-0.1 4,-0.6 -0.584 23.9-108.2-105.2 168.9 21.5 20.0 27.1 146 146 A V H >> S+ 0 0 0 286,-2.7 4,-1.3 283,-0.4 3,-0.9 0.860 113.2 68.6 -62.1 -37.4 23.0 20.1 30.6 147 147 A A H 3> S+ 0 0 19 282,-2.5 4,-2.3 1,-0.3 3,-0.4 0.870 90.9 63.5 -51.7 -37.2 24.8 23.4 29.8 148 148 A E H <4 S+ 0 0 41 -3,-0.8 -1,-0.3 281,-0.3 -2,-0.2 0.913 105.1 43.3 -56.2 -43.3 21.4 25.1 29.6 149 149 A V H X S+ 0 0 9 -4,-1.3 4,-1.3 -3,-0.4 3,-0.8 0.855 91.0 72.8 -76.2 -38.6 24.2 25.4 34.2 151 151 A Y H >X S+ 0 0 64 -4,-2.3 4,-2.4 1,-0.2 3,-0.5 0.861 94.7 51.2 -43.7 -51.0 24.0 28.9 32.6 152 152 A P H 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.829 111.1 45.8 -62.7 -34.4 21.7 30.3 35.4 153 153 A I H X S+ 0 0 2 -4,-1.8 3,-3.2 1,-0.2 4,-1.7 0.990 106.3 46.5 -60.8 -62.9 24.1 33.7 39.6 157 157 A N H 3X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.3 -1,-0.2 0.635 103.3 67.4 -56.2 -13.3 27.5 33.1 41.1 158 158 A A H 3< S+ 0 0 0 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.594 103.5 43.5 -83.3 -11.0 28.6 36.1 38.9 159 159 A I H <> S+ 0 0 4 -3,-3.2 4,-1.1 -4,-0.3 5,-0.5 0.778 114.9 49.1 -95.4 -40.9 26.5 38.4 41.1 160 160 A H H >< S+ 0 0 73 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.971 104.0 61.7 -60.8 -54.4 27.6 36.7 44.3 161 161 A Y T 3< S+ 0 0 124 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.1 0.843 108.0 38.8 -40.1 -56.3 31.3 37.0 43.3 162 162 A P T 34 S- 0 0 44 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.761 96.3-139.1 -73.5 -21.9 31.6 40.8 43.0 163 163 A G << + 0 0 36 -4,-1.1 -133,-0.2 -3,-0.9 -3,-0.1 0.619 40.2 168.2 74.4 12.7 29.4 41.3 46.1 164 164 A V - 0 0 0 -5,-0.5 -133,-0.2 1,-0.1 -1,-0.1 -0.041 38.7-136.1 -56.8 162.2 27.6 44.2 44.3 165 165 A D S S+ 0 0 12 -135,-2.5 24,-2.2 1,-0.2 2,-0.4 0.708 83.2 39.8 -92.8 -24.3 24.4 45.7 45.8 166 166 A V E -ce 31 189A 0 -136,-1.8 -134,-2.8 22,-0.2 2,-0.4 -0.976 59.8-160.1-134.2 142.5 22.5 46.0 42.6 167 167 A A E -ce 32 190A 1 22,-2.3 24,-2.4 -2,-0.4 2,-0.3 -0.980 12.3-161.5-119.7 126.0 22.1 43.9 39.4 168 168 A V E +ce 33 191A 5 -136,-2.4 -134,-0.6 -2,-0.4 2,-0.3 -0.777 27.7 128.1-106.1 152.9 20.8 45.4 36.2 169 169 A G E - e 0 192A 6 22,-1.3 24,-2.1 -2,-0.3 -2,-0.0 -0.905 55.8 -83.7 174.1 160.6 19.4 43.5 33.3 170 170 A G E > - e 0 193A 1 22,-0.3 3,-1.4 -2,-0.3 4,-0.1 -0.209 56.5 -90.3 -72.5 177.6 16.4 43.4 31.0 171 171 A M G > S+ 0 0 60 22,-1.5 3,-1.0 1,-0.3 4,-0.2 0.573 118.3 77.4 -64.3 -10.5 13.2 41.6 32.0 172 172 A E G > S+ 0 0 37 1,-0.2 3,-0.6 2,-0.1 4,-0.3 0.875 93.6 52.6 -66.2 -33.5 14.5 38.4 30.5 173 173 A Q G <> S+ 0 0 27 -3,-1.4 4,-3.4 1,-0.2 5,-0.3 0.411 74.2 101.3 -83.9 0.6 16.7 37.9 33.5 174 174 A R H <> S+ 0 0 56 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.831 83.2 51.1 -56.9 -32.2 14.1 38.3 36.2 175 175 A K H <> S+ 0 0 39 -3,-0.6 4,-2.2 -4,-0.2 -1,-0.2 0.985 114.9 40.3 -66.1 -60.3 14.0 34.5 36.8 176 176 A I H >> S+ 0 0 2 -4,-0.3 4,-2.2 -43,-0.3 3,-0.7 0.962 116.5 52.6 -49.8 -54.9 17.8 34.1 37.1 177 177 A H H 3X S+ 0 0 5 -4,-3.4 4,-2.0 1,-0.3 -1,-0.2 0.839 108.6 50.0 -50.6 -39.9 17.8 37.3 39.1 178 178 A M H 3X S+ 0 0 54 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.3 0.839 105.9 55.9 -70.6 -31.7 15.1 35.9 41.4 179 179 A L H - 0 0 0 5,-3.8 3,-1.0 -2,-0.1 14,-0.2 0.017 28.1-102.4 -54.8 168.5 12.7 45.1 17.2 199 199 A L T 3 S+ 0 0 3 12,-2.1 31,-3.0 1,-0.3 42,-0.2 0.862 120.6 51.9 -63.9 -40.7 11.9 47.3 14.2 200 200 A D T 3 S- 0 0 69 29,-0.2 -1,-0.3 40,-0.1 31,-0.1 0.496 119.1-111.0 -75.3 -4.6 9.9 44.7 12.3 201 201 A G S < S+ 0 0 19 -3,-1.0 -2,-0.1 10,-0.2 3,-0.1 0.922 84.4 101.3 76.5 46.8 7.8 44.2 15.4 202 202 A E S S- 0 0 142 1,-0.4 3,-0.1 9,-0.1 -1,-0.0 0.343 78.8 -20.0-119.7-105.9 8.8 40.7 16.6 203 203 A G S S- 0 0 43 1,-0.3 -5,-3.8 -6,-0.1 -1,-0.4 0.123 92.7 -40.2 -92.4-152.8 11.3 40.0 19.3 204 204 A K B -I 197 0E 88 -7,-0.3 2,-3.3 1,-0.1 -1,-0.3 -0.259 66.3 -93.6 -72.3 161.1 14.0 42.1 21.0 205 205 A M + 0 0 8 -9,-1.7 -161,-0.2 -7,-0.1 2,-0.2 -0.183 64.0 169.8 -68.9 50.3 16.3 44.4 19.0 206 206 A S > > - 0 0 28 -2,-3.3 3,-1.0 1,-0.2 5,-0.6 -0.478 36.7-149.7 -68.5 131.2 18.8 41.6 18.8 207 207 A S T 3 5S+ 0 0 40 1,-0.3 -1,-0.2 -2,-0.2 5,-0.1 0.584 92.8 83.8 -75.0 -8.4 21.7 42.3 16.4 208 208 A S T 3 5S+ 0 0 88 2,-0.0 -1,-0.3 -169,-0.0 2,-0.2 0.361 104.9 31.8 -72.9 6.7 21.7 38.5 15.9 209 209 A K T < 5S- 0 0 137 -3,-1.0 3,-0.1 -4,-0.1 -4,-0.0 -0.577 98.8-106.8-138.7-161.5 19.0 39.6 13.5 210 210 A G T 5S+ 0 0 58 -2,-0.2 -3,-0.1 1,-0.1 -5,-0.1 -0.091 84.8 97.8-134.8 40.4 18.6 42.9 11.5 211 211 A N < + 0 0 4 -5,-0.6 -12,-2.1 -7,-0.2 2,-0.2 -0.171 64.2 105.8-117.8 37.2 15.9 44.9 13.1 212 212 A F - 0 0 23 -14,-0.2 2,-0.5 -3,-0.1 -6,-0.1 -0.723 61.5-138.0-118.2 165.7 18.2 47.1 15.2 213 213 A I - 0 0 0 -2,-0.2 -170,-1.6 -8,-0.1 -169,-0.2 -0.983 25.9-141.4-124.2 113.1 19.4 50.7 15.2 214 214 A A B -F 42 0B 0 -2,-0.5 -172,-0.3 -172,-0.2 3,-0.2 -0.485 16.6-126.8 -75.3 145.7 23.1 51.0 16.0 215 215 A V S S+ 0 0 0 -174,-2.6 88,-0.4 1,-0.2 -1,-0.1 0.704 113.8 43.5 -64.5 -15.8 24.2 53.8 18.2 216 216 A D S S+ 0 0 43 -175,-0.4 -1,-0.2 86,-0.1 -174,-0.1 0.678 80.7 124.8-103.2 -21.3 26.7 54.5 15.3 217 217 A D - 0 0 0 -3,-0.2 86,-0.1 1,-0.1 -4,-0.0 -0.004 66.9-103.3 -41.6 143.4 24.6 54.1 12.2 218 218 A S > - 0 0 45 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.146 31.7-101.6 -66.0 162.4 24.6 57.1 9.8 219 219 A P H > S+ 0 0 41 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.777 126.6 51.7 -59.1 -21.7 21.7 59.5 9.6 220 220 A E H > S+ 0 0 153 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.947 103.2 54.0 -78.2 -50.8 20.8 57.7 6.5 221 221 A E H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.862 112.9 46.9 -50.8 -36.6 20.8 54.2 8.0 222 222 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.988 109.7 49.1 -70.2 -58.5 18.4 55.5 10.6 223 223 A R H X S+ 0 0 107 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.884 116.3 46.6 -46.6 -44.7 15.9 57.3 8.3 224 224 A A H X S+ 0 0 60 -4,-2.8 4,-1.4 1,-0.2 3,-0.5 0.998 111.5 46.6 -61.4 -69.4 15.8 54.2 6.2 225 225 A K H X S+ 0 0 33 -4,-2.1 4,-1.5 1,-0.3 -1,-0.2 0.731 114.4 50.6 -46.3 -30.4 15.4 51.6 9.0 226 226 A I H < S+ 0 0 1 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.934 102.9 56.0 -78.2 -44.6 12.7 53.7 10.6 227 227 A K H < S+ 0 0 154 -4,-2.1 -2,-0.2 -3,-0.5 -1,-0.2 0.764 113.6 43.3 -59.4 -24.6 10.6 54.2 7.4 228 228 A K H < S+ 0 0 110 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.895 91.5 115.0 -83.6 -44.9 10.4 50.4 7.0 229 229 A A S < S- 0 0 4 -4,-1.5 -29,-0.2 -5,-0.2 2,-0.2 0.266 77.7 -99.3 -28.9 141.5 9.7 49.7 10.7 230 230 A Y + 0 0 101 -31,-3.0 11,-0.7 -32,-0.1 -29,-0.1 -0.465 56.7 150.0 -66.7 131.7 6.5 48.2 11.9 231 231 A C - 0 0 14 -2,-0.2 57,-0.1 -3,-0.1 -1,-0.1 -0.300 24.6-162.3-170.4 75.9 4.2 51.0 13.3 232 232 A P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 7,-0.0 0.120 32.4 -82.7 -58.2 169.6 0.3 50.5 13.0 233 233 A A S S- 0 0 63 1,-0.2 2,-2.0 50,-0.0 3,-0.1 -0.616 103.6 -15.8 -81.2 130.6 -2.5 53.1 13.3 234 234 A G S S+ 0 0 12 43,-0.4 2,-0.2 -2,-0.4 -1,-0.2 -0.076 105.5 119.4 71.6 -40.8 -3.6 54.0 16.8 235 235 A V + 0 0 50 -2,-2.0 -1,-0.2 1,-0.2 43,-0.0 -0.404 27.6 163.1 -63.9 126.0 -1.8 50.9 18.2 236 236 A V > + 0 0 12 -2,-0.2 3,-0.8 -3,-0.1 2,-0.8 0.563 48.0 96.4-114.2 -26.2 0.9 51.7 20.7 237 237 A E T 3 S+ 0 0 136 1,-0.3 -2,-0.0 5,-0.0 -1,-0.0 -0.607 104.6 4.3 -74.4 110.2 1.4 48.3 22.2 238 238 A G T 3 S+ 0 0 32 -2,-0.8 -1,-0.3 1,-0.2 -8,-0.1 0.166 91.5 145.3 102.2 -16.2 4.3 46.7 20.4 239 239 A N <> - 0 0 0 -3,-0.8 4,-1.8 1,-0.2 3,-0.3 -0.391 34.8-163.6 -61.7 98.8 5.0 49.8 18.4 240 240 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 3,-0.5 0.911 90.0 50.2 -47.5 -54.0 8.8 50.0 17.9 241 241 A I H > S+ 0 0 0 -11,-0.7 4,-1.1 1,-0.2 -10,-0.1 0.890 109.2 52.6 -55.8 -41.2 8.8 53.6 16.9 242 242 A M H > S+ 0 0 1 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.819 108.3 50.0 -65.5 -32.9 6.6 54.5 20.0 243 243 A E H X S+ 0 0 30 -4,-1.8 4,-2.8 -3,-0.5 5,-0.3 0.966 105.0 56.4 -68.4 -52.5 9.1 52.8 22.4 244 244 A I H X>S+ 0 0 6 -4,-2.5 4,-1.1 1,-0.2 5,-0.8 0.820 110.9 47.9 -46.6 -31.2 12.0 54.7 20.8 245 245 A A H X5S+ 0 0 0 -4,-1.1 4,-0.7 -5,-0.2 3,-0.3 0.942 111.1 46.6 -75.9 -51.2 9.9 57.8 21.8 246 246 A K H <5S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.803 123.3 34.4 -61.4 -31.4 9.1 56.8 25.3 247 247 A Y H <5S+ 0 0 32 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.523 129.2 17.4-107.7 -5.6 12.8 55.8 26.0 248 248 A F H <5S+ 0 0 5 -4,-1.1 -3,-0.2 -5,-0.3 -2,-0.1 0.660 91.3 93.9-136.2 -29.4 15.1 58.1 24.1 249 249 A L << - 0 0 7 -5,-0.8 2,-0.3 -4,-0.7 4,-0.1 -0.405 61.3-135.0 -75.2 147.0 13.5 61.3 22.9 250 250 A E - 0 0 126 -2,-0.1 -1,-0.1 2,-0.1 19,-0.1 -0.782 35.7 -98.3-101.9 145.4 13.7 64.6 24.8 251 251 A Y S S+ 0 0 55 -2,-0.3 17,-0.1 1,-0.2 18,-0.1 -0.742 90.1 54.2-121.3 169.9 10.6 66.8 25.2 252 252 A P S S- 0 0 79 0, 0.0 16,-0.3 0, 0.0 2,-0.2 0.286 77.8-164.9 -71.1 124.4 8.8 69.0 24.7 253 253 A L B -J 267 0F 6 14,-1.4 14,-1.0 16,-0.1 2,-0.6 -0.565 10.5-153.2 -82.6 141.0 8.9 67.6 21.2 254 254 A T - 0 0 92 12,-0.3 2,-0.3 -2,-0.2 12,-0.2 -0.879 10.8-164.1-121.6 100.4 7.6 69.7 18.3 255 255 A I - 0 0 8 -2,-0.6 10,-3.0 8,-0.1 2,-0.2 -0.677 10.0-146.9 -87.9 138.1 6.3 67.6 15.4 256 256 A K + 0 0 112 -2,-0.3 34,-0.1 8,-0.2 33,-0.1 -0.594 28.1 141.1-104.2 160.3 5.8 69.2 11.9 257 257 A R - 0 0 64 -2,-0.2 7,-0.4 5,-0.1 6,-0.2 -0.648 55.4 -77.4 167.5 137.0 3.4 68.8 9.0 258 258 A P >> - 0 0 65 0, 0.0 3,-3.2 0, 0.0 4,-1.3 -0.136 38.2-127.3 -44.3 123.7 1.5 70.9 6.4 259 259 A E T 34 S+ 0 0 158 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 0.556 110.6 68.5 -52.7 -3.9 -1.6 72.5 8.0 260 260 A K T 34 S+ 0 0 159 1,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.808 111.3 25.8 -84.3 -34.0 -3.2 70.9 5.0 261 261 A F T <4 S- 0 0 115 -3,-3.2 -2,-0.2 0, 0.0 -1,-0.1 0.374 143.8 -44.1-109.5 1.9 -2.6 67.4 6.3 262 262 A G S < S- 0 0 51 -4,-1.3 2,-0.1 -5,-0.1 -3,-0.1 -0.425 72.3 -99.1 176.3 -93.5 -2.5 68.2 10.0 263 263 A G - 0 0 19 -6,-0.2 -8,-0.1 -2,-0.1 -4,-0.0 -0.299 38.5 -85.3 142.5 130.6 -0.7 71.1 11.6 264 264 A D + 0 0 97 -7,-0.4 -8,-0.2 -2,-0.1 2,-0.1 -0.293 55.5 178.8 -57.6 138.7 2.6 71.5 13.5 265 265 A L - 0 0 65 -10,-3.0 -1,-0.1 2,-0.0 -8,-0.0 -0.293 29.1-135.4-123.5-154.7 2.3 70.6 17.2 266 266 A T - 0 0 61 -12,-0.2 2,-1.4 -2,-0.1 -12,-0.3 -0.351 9.9-162.8-176.1 81.6 4.2 70.3 20.4 267 267 A V B -J 253 0F 3 -14,-1.0 -14,-1.4 1,-0.2 6,-0.1 -0.580 4.9-164.8 -76.3 92.3 3.7 67.3 22.6 268 268 A N S S+ 0 0 108 -2,-1.4 2,-0.3 -16,-0.3 -1,-0.2 0.637 71.7 18.6 -53.0 -15.9 5.2 68.5 26.0 269 269 A S S > S- 0 0 34 1,-0.1 4,-1.2 -16,-0.1 -16,-0.1 -0.863 77.7-112.1-145.5 178.4 5.2 64.9 27.2 270 270 A Y H > S+ 0 0 22 -2,-0.3 4,-3.9 2,-0.2 5,-0.2 0.906 115.0 55.7 -83.2 -45.9 5.1 61.3 25.9 271 271 A E H > S+ 0 0 122 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.929 108.0 54.0 -49.1 -43.7 1.7 60.4 27.4 272 272 A E H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.935 111.7 42.1 -53.0 -52.7 0.6 63.4 25.3 273 273 A L H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.881 113.5 53.3 -62.7 -42.4 2.2 61.9 22.2 274 274 A E H X S+ 0 0 49 -4,-3.9 4,-2.1 1,-0.2 -2,-0.2 0.963 105.9 52.8 -58.8 -52.2 0.8 58.5 23.1 275 275 A S H X S+ 0 0 72 -4,-3.5 4,-2.3 -5,-0.2 -1,-0.2 0.823 108.2 51.9 -53.7 -36.6 -2.7 59.8 23.4 276 276 A L H >X S+ 0 0 24 -4,-1.4 4,-1.4 2,-0.2 3,-0.6 0.994 108.3 48.9 -63.4 -61.0 -2.4 61.4 20.0 277 277 A F H 3< S+ 0 0 1 -4,-2.3 -43,-0.4 1,-0.3 -2,-0.2 0.803 114.1 48.5 -48.1 -31.9 -1.3 58.2 18.3 278 278 A K H 3< S+ 0 0 112 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.874 110.5 48.9 -76.0 -38.9 -4.3 56.5 20.1 279 279 A N H << S- 0 0 88 -4,-2.3 -2,-0.2 -3,-0.6 -1,-0.2 0.546 110.7-127.8 -76.9 -8.6 -6.7 59.2 19.0 280 280 A K S < S+ 0 0 118 -4,-1.4 -3,-0.2 2,-0.1 -4,-0.1 0.080 78.0 117.4 84.0 -21.3 -5.3 58.7 15.5 281 281 A E + 0 0 116 -5,-0.5 2,-0.9 1,-0.2 -4,-0.2 0.733 67.3 67.8 -51.5 -22.8 -4.5 62.4 14.8 282 282 A L S S- 0 0 5 -6,-0.5 -48,-0.3 -9,-0.1 -1,-0.2 -0.751 82.3-149.3-106.2 91.0 -0.9 61.5 14.5 283 283 A H >> - 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0 0 0 -2,-0.4 174,-2.2 -3,-0.1 175,-0.3 -0.883 24.4-175.6-106.4 96.4 35.8 -0.9 53.5 349 42 B H B >> -P 521 0H 12 -2,-0.8 4,-1.4 172,-0.3 3,-1.1 -0.228 46.4 -83.5 -88.4 179.3 33.6 -3.9 52.9 350 43 B L H 3> S+ 0 0 0 170,-1.8 4,-3.1 1,-0.3 5,-0.2 0.776 119.8 77.7 -51.3 -28.2 33.8 -6.8 50.4 351 44 B G H 3> S+ 0 0 15 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.950 100.3 37.5 -46.5 -56.9 32.0 -4.5 48.0 352 45 B H H X> S+ 0 0 19 -3,-1.1 4,-3.0 1,-0.2 3,-1.3 0.913 112.7 61.4 -61.8 -41.9 35.3 -2.7 47.4 353 46 B Y H 3X S+ 0 0 29 -4,-1.4 4,-1.8 1,-0.3 5,-0.2 0.908 92.0 63.0 -50.4 -52.2 37.1 -6.0 47.6 354 47 B L H 3X S+ 0 0 12 -4,-3.1 4,-0.9 1,-0.2 -1,-0.3 0.784 118.3 29.6 -44.5 -33.1 35.2 -7.5 44.6 355 48 B Q H X S+ 0 0 43 -4,-1.8 4,-1.6 -5,-0.3 3,-1.2 0.971 106.5 45.2 -74.4 -61.8 40.6 -7.5 43.2 358 51 B K H 3X S+ 0 0 5 -4,-0.9 4,-1.7 1,-0.3 -2,-0.2 0.847 108.9 60.0 -48.4 -37.6 39.7 -7.1 39.5 359 52 B M H 3X S+ 0 0 0 -4,-3.2 4,-1.2 1,-0.2 -1,-0.3 0.905 103.4 50.7 -58.2 -42.1 42.0 -4.0 39.6 360 53 B I H S+ 0 0 0 -4,-1.7 5,-1.6 1,-0.2 4,-0.4 0.759 109.2 53.1 -71.5 -25.6 44.7 -5.8 35.3 363 56 B Q H <5S+ 0 0 28 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.827 108.4 51.9 -76.8 -30.9 47.9 -4.8 37.1 364 57 B N H <5S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.622 105.0 54.4 -77.3 -15.8 49.0 -8.3 36.6 365 58 B A T <5S- 0 0 8 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.570 131.6 -96.9 -89.6 -12.4 48.2 -8.1 32.9 366 59 B G T 5S+ 0 0 37 -4,-0.4 -30,-0.2 1,-0.3 -3,-0.2 0.026 77.0 143.0 122.1 -26.6 50.5 -5.0 32.9 367 60 B F < - 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0 0 110 -5,-1.4 -4,-0.2 -4,-0.5 -1,-0.1 0.728 69.7 -11.4 -81.1-107.3 30.3 15.2 54.5 384 77 B G - 0 0 14 -6,-0.2 2,-0.4 -9,-0.1 3,-0.1 0.193 66.6-104.6 -80.5-160.5 33.9 16.1 55.5 385 78 B E > - 0 0 99 1,-0.2 3,-5.1 -3,-0.1 5,-0.2 -0.881 46.3-109.5-129.6 93.3 36.2 19.0 55.0 386 79 B L T 3> S+ 0 0 52 -2,-0.4 4,-4.4 1,-0.3 -1,-0.2 0.281 119.3 44.6 15.3 -82.6 38.8 18.0 52.3 387 80 B D H 3> S+ 0 0 123 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.782 116.6 51.1 -50.5 -27.9 41.8 17.7 54.6 388 81 B E H X> S+ 0 0 90 -3,-5.1 4,-1.0 2,-0.2 3,-0.9 0.985 113.3 41.0 -70.6 -65.8 39.4 15.8 57.0 389 82 B I H >> S+ 0 0 11 1,-0.3 4,-2.1 2,-0.2 3,-1.6 0.918 104.4 72.6 -46.2 -48.5 38.2 13.4 54.3 390 83 B R H 3X S+ 0 0 68 -4,-4.4 4,-2.8 1,-0.3 -1,-0.3 0.845 95.5 48.5 -35.7 -55.7 41.8 13.3 53.1 391 84 B K H S+ 0 0 0 -4,-3.2 5,-0.6 1,-0.2 3,-0.4 0.785 112.9 48.8 -68.2 -27.6 43.7 -1.3 49.3 401 94 B E H ><5S+ 0 0 98 -4,-1.2 3,-2.1 -5,-0.4 4,-0.3 0.872 105.4 56.1 -77.1 -38.5 47.4 -1.8 49.9 402 95 B A T 3<5S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.450 102.1 60.9 -71.2 1.1 46.7 -4.4 52.5 403 96 B M T 3 5S- 0 0 16 -3,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.397 123.8-102.9-105.8 -1.9 44.8 -6.1 49.7 404 97 B G T < 5 + 0 0 46 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.942 68.6 146.3 81.6 52.0 47.9 -6.5 47.5 405 98 B L < - 0 0 10 -5,-0.6 2,-0.4 -4,-0.3 -1,-0.2 -0.945 34.5-159.1-127.0 113.8 47.4 -3.7 45.0 406 99 B K + 0 0 166 -2,-0.5 2,-0.3 -46,-0.1 -37,-0.3 -0.738 42.5 133.2 -82.8 136.1 50.3 -1.8 43.5 407 100 B A - 0 0 37 -2,-0.4 2,-0.5 -39,-0.1 -37,-0.2 -0.995 58.4 -97.3-174.4 171.1 48.8 1.4 42.2 408 101 B K E -n 370 0G 131 -39,-2.2 -37,-3.8 -2,-0.3 2,-0.5 -0.882 36.3-155.6-102.2 127.2 48.7 5.2 41.7 409 102 B Y E +n 371 0G 38 -2,-0.5 2,-0.3 -39,-0.2 -37,-0.2 -0.913 16.2 173.4-111.6 131.6 46.4 7.1 44.1 410 103 B V E -n 372 0G 38 -39,-1.9 -37,-2.3 -2,-0.5 2,-0.4 -0.989 26.3-134.6-140.2 146.2 44.9 10.5 43.4 411 104 B Y E > -n 373 0G 23 -2,-0.3 3,-1.8 -39,-0.2 -37,-0.2 -0.816 12.6-144.2 -98.5 132.6 42.4 13.0 44.8 412 105 B G G >> S+ 0 0 0 -39,-1.4 3,-2.1 -2,-0.4 4,-2.0 0.842 97.0 70.8 -62.5 -30.9 39.8 14.5 42.5 413 106 B S G 34 S+ 0 0 14 -40,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.626 90.2 63.6 -61.6 -10.7 40.1 17.8 44.5 414 107 B T G <4 S+ 0 0 79 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.538 124.2 3.9 -94.6 -4.3 43.5 18.2 43.0 415 108 B F T X4 S+ 0 0 12 -3,-2.1 3,-3.2 -4,-0.2 6,-0.3 0.524 106.5 80.7-142.0 -42.7 42.4 18.5 39.4 416 109 B Q T 3< S+ 0 0 3 -4,-2.0 -3,-0.1 1,-0.3 -4,-0.1 0.511 98.7 51.1 -54.9 -0.5 38.7 18.5 38.9 417 110 B L T 3 S+ 0 0 12 -5,-0.3 -1,-0.3 -4,-0.1 2,-0.2 0.269 82.4 118.1-120.8 11.5 38.6 22.1 39.8 418 111 B D S <> S- 0 0 35 -3,-3.2 4,-3.3 1,-0.1 5,-0.4 -0.515 74.7-115.9 -78.9 145.1 41.3 23.4 37.4 419 112 B K H > S+ 0 0 117 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.930 114.9 45.6 -41.7 -67.4 40.4 25.9 34.8 420 113 B D H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 115.7 45.9 -44.7 -52.5 41.2 23.5 31.9 421 114 B Y H > S+ 0 0 3 -6,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.950 115.7 45.4 -59.7 -51.3 39.3 20.6 33.5 422 115 B T H X S+ 0 0 0 -4,-3.3 4,-2.0 -7,-0.2 -1,-0.2 0.866 108.6 59.9 -59.1 -36.5 36.3 22.7 34.4 423 116 B L H X S+ 0 0 24 -4,-3.2 4,-2.0 -5,-0.4 -1,-0.2 0.914 106.3 45.0 -59.2 -45.6 36.4 24.2 30.9 424 117 B N H X S+ 0 0 49 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.781 104.2 62.5 -72.2 -27.7 35.9 20.9 29.3 425 118 B V H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.962 109.4 43.6 -58.7 -46.7 33.2 19.9 31.7 426 119 B Y H X S+ 0 0 12 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.899 111.2 51.4 -65.1 -43.3 31.3 22.9 30.2 427 120 B R H >< S+ 0 0 82 -4,-2.0 3,-1.1 1,-0.2 4,-0.4 0.957 114.0 46.9 -57.4 -46.3 32.3 22.1 26.6 428 121 B L H >X S+ 0 0 9 -4,-3.1 3,-2.1 1,-0.3 4,-0.5 0.863 101.6 65.2 -60.4 -37.6 30.9 18.6 27.4 429 122 B A H 3< S+ 0 0 1 -4,-2.1 -282,-2.5 1,-0.3 3,-0.4 0.764 97.4 55.7 -59.7 -24.0 27.8 20.2 29.0 430 123 B L T << S+ 0 0 37 -3,-1.1 -1,-0.3 -4,-1.1 -2,-0.2 0.637 109.7 47.5 -81.2 -14.9 26.9 21.5 25.5 431 124 B K T <4 S+ 0 0 120 -3,-2.1 2,-0.7 -4,-0.4 -2,-0.2 0.358 94.4 85.6-106.2 1.2 27.1 17.9 24.3 432 125 B T S < S- 0 0 2 -4,-0.5 -286,-2.7 -3,-0.4 -285,-0.2 -0.880 70.8-138.9-112.5 112.9 25.1 16.2 27.0 433 126 B T B > -H 145 0D 28 -2,-0.7 4,-1.7 -288,-0.3 -288,-0.3 -0.290 24.9-117.1 -62.3 150.3 21.3 16.1 26.6 434 127 B L H > S+ 0 0 4 -290,-3.4 4,-1.6 1,-0.2 -1,-0.1 0.867 113.4 39.4 -56.5 -39.0 19.4 16.7 29.9 435 128 B K H > S+ 0 0 73 -291,-0.3 4,-3.4 2,-0.2 5,-0.4 0.938 108.1 56.9 -77.6 -51.7 17.9 13.2 29.8 436 129 B R H 4 S+ 0 0 46 1,-0.3 4,-0.2 2,-0.2 -2,-0.2 0.847 113.1 47.8 -49.8 -31.0 20.9 11.2 28.6 437 130 B A H >X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 3,-0.8 0.926 113.3 45.0 -75.4 -46.3 22.5 12.8 31.7 438 131 B R H 3X S+ 0 0 52 -4,-1.6 4,-1.8 1,-0.2 3,-0.4 0.950 105.9 57.7 -64.1 -51.5 19.7 12.0 34.0 439 132 B R H 3< S+ 0 0 130 -4,-3.4 4,-0.5 1,-0.2 -1,-0.2 0.649 102.4 62.7 -55.6 -12.2 19.2 8.4 32.9 440 133 B S H X> S+ 0 0 0 -3,-0.8 3,-0.9 -5,-0.4 4,-0.5 0.952 104.7 40.3 -76.6 -55.7 22.8 8.0 33.8 441 134 B M H >X S+ 0 0 29 -4,-1.2 4,-1.3 -3,-0.4 3,-1.1 0.774 98.7 79.6 -64.8 -27.8 22.5 8.7 37.5 442 135 B E H 3< S+ 0 0 75 -4,-1.8 4,-0.3 1,-0.3 -1,-0.2 0.828 92.8 47.8 -52.7 -37.1 19.3 6.7 37.8 443 136 B L H <4 S+ 0 0 68 -3,-0.9 -1,-0.3 -4,-0.5 3,-0.2 0.762 112.9 53.4 -76.9 -22.0 21.1 3.4 37.9 444 137 B I H << S- 0 0 39 -3,-1.1 2,-0.5 -4,-0.5 -2,-0.2 0.978 129.3 -6.3 -74.0 -78.9 23.5 4.8 40.5 445 138 B A S < S- 0 0 69 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 -0.758 88.9-107.6-126.0 87.3 21.3 6.2 43.3 446 139 B R - 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