==== 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 03-AUG-04 1U7D . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR Y.ZHANG,L.WANG,P.G.SCHULTZ,I.A.WILSON . 576 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 408 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 4.2 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 . 1 0.2 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 . 29 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 5 0 3 5 1 2 0 0 0 3 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 3 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 PARALLEL BRIDGES PER LADDER . 4 0 4 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 . 2 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 0 177 0, 0.0 4,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -92.0 6.5 66.2 5.5 2 2 A D > - 0 0 70 3,-0.1 4,-1.7 2,-0.1 5,-0.1 0.701 360.0-140.4 84.8 115.9 6.6 63.0 3.4 3 3 A E H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.854 102.0 56.9 -71.7 -35.8 4.2 60.1 4.2 4 4 A F H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.974 109.5 44.9 -59.4 -53.9 6.9 57.5 3.6 5 5 A E H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.865 112.3 51.7 -58.8 -39.3 9.2 59.1 6.2 6 6 A M H < S+ 0 0 95 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.922 112.8 44.8 -66.2 -42.4 6.4 59.5 8.7 7 7 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.928 115.0 49.3 -65.9 -42.6 5.3 55.9 8.4 8 8 A K H >< S+ 0 0 72 -4,-2.9 3,-1.4 -5,-0.2 -2,-0.2 0.818 83.8 111.1 -66.4 -32.4 9.0 54.7 8.5 9 9 A R T 3< S+ 0 0 141 -4,-2.1 -3,-0.0 1,-0.2 -4,-0.0 -0.176 88.9 4.1 -50.4 128.7 9.9 56.7 11.7 10 10 A N T 3 S+ 0 0 40 1,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.756 97.6 132.6 65.9 30.8 10.5 54.6 14.7 11 11 A T < - 0 0 25 -3,-1.4 175,-0.2 175,-0.2 -1,-0.2 -0.868 54.0-145.4-112.0 147.2 10.2 51.2 12.9 12 12 A S S S- 0 0 54 173,-2.1 2,-0.3 -2,-0.4 174,-0.2 0.955 80.1 -12.4 -70.5 -50.0 12.5 48.2 13.1 13 13 A E E -A 185 0A 49 172,-1.3 172,-3.1 2,-0.0 2,-0.5 -0.999 47.6-153.6-155.7 146.5 12.1 47.2 9.6 14 14 A I E -A 184 0A 14 -2,-0.3 2,-1.8 170,-0.2 3,-0.3 -0.936 27.7-134.4-124.5 106.8 9.9 47.8 6.5 15 15 A I E S-A 183 0A 37 168,-2.5 168,-0.8 -2,-0.5 169,-0.0 -0.470 87.8 -5.1 -73.8 89.7 9.8 44.7 4.3 16 16 A S > - 0 0 42 -2,-1.8 4,-1.6 166,-0.1 -1,-0.2 0.865 61.7-167.3 87.2 93.1 10.3 46.4 1.0 17 17 A E H > S+ 0 0 71 -3,-0.3 4,-1.8 1,-0.2 5,-0.2 0.833 91.3 59.8 -65.9 -34.5 10.3 50.2 1.2 18 18 A E H > S+ 0 0 105 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.879 103.9 49.4 -65.7 -32.9 10.0 50.3 -2.5 19 19 A E H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.910 108.2 54.2 -69.9 -39.2 6.7 48.4 -2.4 20 20 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.861 104.9 54.2 -60.2 -37.8 5.4 50.7 0.3 21 21 A R H X S+ 0 0 116 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.872 110.5 46.3 -65.9 -35.3 6.1 53.6 -2.0 22 22 A E H >X S+ 0 0 109 -4,-1.3 4,-0.7 2,-0.2 3,-0.5 0.900 112.1 50.8 -71.4 -40.8 4.1 52.0 -4.7 23 23 A V H >< S+ 0 0 16 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.877 103.3 59.4 -63.7 -39.8 1.3 51.2 -2.2 24 24 A L H 3< S+ 0 0 25 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.799 101.4 56.1 -60.0 -29.3 1.3 54.9 -1.0 25 25 A K H << S+ 0 0 177 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.747 84.4 105.9 -75.8 -25.6 0.4 56.0 -4.6 26 26 A K S << S- 0 0 87 -3,-0.9 3,-0.1 -4,-0.7 -3,-0.0 -0.182 73.0-133.7 -56.3 146.9 -2.7 53.8 -4.8 27 27 A D S S+ 0 0 164 1,-0.2 2,-0.4 0, 0.0 -1,-0.1 0.804 96.3 30.1 -70.5 -29.3 -6.1 55.5 -4.6 28 28 A E S S+ 0 0 141 -5,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.990 74.0 155.7-135.7 124.9 -7.2 52.9 -2.1 29 29 A K - 0 0 21 30,-0.5 32,-2.2 -2,-0.4 2,-0.3 -0.994 16.7-160.4-147.3 154.6 -5.0 51.0 0.4 30 30 A S E -b 61 0A 20 -2,-0.3 128,-2.6 30,-0.2 129,-2.0 -0.968 5.5-170.0-140.3 155.6 -5.3 49.2 3.7 31 31 A A E -bc 62 159A 0 30,-2.6 32,-2.2 -2,-0.3 2,-0.3 -0.973 8.2-173.7-139.1 151.2 -3.4 48.0 6.7 32 32 A Y E -bc 63 160A 11 127,-1.7 129,-2.5 -2,-0.3 2,-0.3 -0.935 9.2-167.5-141.3 165.8 -4.1 45.7 9.7 33 33 A I E -b 64 0A 2 30,-1.4 32,-2.3 -2,-0.3 2,-0.4 -0.980 20.0-130.6-150.9 144.8 -2.6 44.5 13.0 34 34 A G E +b 65 0A 36 127,-0.5 2,-0.3 -2,-0.3 32,-0.2 -0.818 24.6 173.0-104.2 141.3 -3.7 41.7 15.3 35 35 A F E -b 66 0A 16 30,-2.4 32,-2.8 -2,-0.4 -2,-0.0 -0.996 30.8-131.1-141.4 142.7 -4.1 41.9 19.1 36 36 A E - 0 0 59 -2,-0.3 32,-0.1 30,-0.2 30,-0.1 -0.836 50.2 -95.5 -91.3 130.1 -5.5 39.4 21.5 37 37 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 49,-0.1 -0.115 51.0-164.0 -43.2 138.7 -8.0 41.4 23.6 38 38 A S - 0 0 38 47,-0.3 51,-0.0 1,-0.1 44,-0.0 -0.989 29.4-146.2-138.7 133.3 -6.3 42.6 26.8 39 39 A G S S+ 0 0 45 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.878 94.7 42.7 -58.6 -39.9 -7.5 43.9 30.1 40 40 A K S S- 0 0 92 163,-0.0 2,-0.7 162,-0.0 -1,-0.1 -0.917 72.7-153.7-112.0 133.7 -4.5 46.2 30.4 41 41 A I - 0 0 0 -2,-0.4 162,-2.6 4,-0.0 163,-0.3 -0.900 22.7-175.1-108.1 105.9 -3.2 48.3 27.5 42 42 A H B > -F 202 0B 69 -2,-0.7 4,-2.2 160,-0.3 3,-0.4 -0.231 42.8 -86.8 -92.4-177.6 0.5 49.0 28.0 43 43 A L H > S+ 0 0 9 158,-1.2 4,-2.6 1,-0.2 5,-0.2 0.726 122.2 64.2 -62.3 -24.7 3.1 51.1 26.1 44 44 A G H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.962 108.4 41.3 -63.3 -48.5 3.9 48.2 23.8 45 45 A H H > S+ 0 0 25 -3,-0.4 4,-2.5 1,-0.2 3,-0.2 0.972 114.3 51.5 -59.1 -57.1 0.4 48.4 22.5 46 46 A Y H X S+ 0 0 27 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.858 105.3 57.0 -50.7 -39.0 0.4 52.2 22.4 47 47 A L H X S+ 0 0 10 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.966 110.8 43.0 -59.0 -50.3 3.6 52.1 20.4 48 48 A Q H X S+ 0 0 26 -4,-1.8 4,-2.0 -3,-0.2 -2,-0.2 0.853 110.7 53.7 -64.5 -37.9 2.0 50.0 17.7 49 49 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.919 103.9 57.3 -64.5 -39.0 -1.3 52.0 17.6 50 50 A K H X S+ 0 0 47 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.870 106.1 51.6 -57.0 -35.0 0.7 55.2 17.1 51 51 A K H X S+ 0 0 9 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.941 107.7 49.9 -68.4 -44.9 2.1 53.4 14.0 52 52 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.907 108.9 53.6 -60.2 -40.0 -1.4 52.5 12.7 53 53 A I H X S+ 0 0 27 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.886 104.8 54.0 -62.7 -37.0 -2.4 56.2 13.2 54 54 A D H X S+ 0 0 41 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.949 111.9 44.9 -59.6 -46.9 0.6 57.2 11.1 55 55 A L H <>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 3,-0.4 0.885 110.6 54.5 -62.8 -38.9 -0.7 54.9 8.4 56 56 A Q H ><5S+ 0 0 35 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.910 107.0 50.7 -61.9 -41.6 -4.2 56.3 9.0 57 57 A N H 3<5S+ 0 0 108 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.725 104.8 58.9 -69.7 -18.7 -2.8 59.8 8.4 58 58 A A T 3<5S- 0 0 6 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.344 128.4 -91.2 -92.8 7.9 -1.2 58.7 5.2 59 59 A G T < 5S+ 0 0 46 -3,-1.4 -30,-0.5 1,-0.3 -3,-0.2 0.528 79.7 139.0 99.2 6.8 -4.5 57.6 3.6 60 60 A F < - 0 0 9 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.3 -0.527 52.3-127.7 -83.7 151.4 -4.6 53.9 4.7 61 61 A D E -b 30 0A 87 -32,-2.2 -30,-2.6 -2,-0.2 2,-0.4 -0.868 30.8-139.4 -94.2 127.4 -7.8 52.3 5.9 62 62 A I E -b 31 0A 8 -2,-0.5 39,-2.1 37,-0.5 2,-0.4 -0.708 19.2-172.7 -95.2 140.4 -7.1 50.6 9.2 63 63 A I E -bd 32 101A 25 -32,-2.2 -30,-1.4 -2,-0.4 2,-0.7 -0.986 7.0-161.9-129.0 119.9 -8.3 47.2 10.3 64 64 A I E -bd 33 102A 0 37,-2.8 39,-2.3 -2,-0.4 2,-0.7 -0.905 11.3-152.6-101.7 113.0 -7.7 46.0 13.9 65 65 A L E -bd 34 103A 5 -32,-2.3 -30,-2.4 -2,-0.7 2,-0.9 -0.769 3.7-152.9 -88.5 114.7 -8.2 42.2 14.1 66 66 A L E -bd 35 104A 2 37,-3.3 39,-2.8 -2,-0.7 2,-2.5 -0.786 9.5-145.4 -90.2 107.5 -9.3 41.2 17.7 67 67 A A > + 0 0 12 -32,-2.8 4,-1.8 -2,-0.9 5,-0.1 -0.352 46.1 143.2 -70.2 64.9 -8.0 37.7 18.2 68 68 A D H > + 0 0 0 -2,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.880 68.3 58.0 -74.5 -35.1 -10.9 36.4 20.3 69 69 A L H > S+ 0 0 3 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.940 111.1 43.2 -58.2 -46.3 -10.9 32.9 18.7 70 70 A H H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 112.1 53.3 -66.6 -39.1 -7.2 32.5 19.8 71 71 A A H <>S+ 0 0 2 -4,-1.8 5,-2.5 1,-0.2 -1,-0.2 0.808 108.4 51.7 -65.3 -29.2 -8.0 34.0 23.2 72 72 A Y H ><5S+ 0 0 55 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.926 112.1 44.3 -72.3 -45.3 -10.8 31.4 23.6 73 73 A L H 3<5S+ 0 0 16 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.794 103.3 62.5 -70.6 -30.3 -8.5 28.5 22.7 74 74 A N T 3<5S- 0 0 64 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.1 0.373 125.0-108.9 -75.1 6.6 -5.7 29.8 25.0 75 75 A Q T < 5S+ 0 0 151 -3,-1.0 -3,-0.2 -5,-0.2 -2,-0.2 0.641 72.4 141.8 76.2 20.3 -8.4 29.2 27.6 76 76 A K < - 0 0 113 -5,-2.5 -1,-0.1 -6,-0.2 3,-0.1 0.047 62.4 -51.9 -70.3-163.4 -9.3 32.8 28.4 77 77 A G S S- 0 0 22 1,-0.1 2,-0.2 4,-0.1 -1,-0.1 0.353 73.6 -66.1 -60.6-165.9 -13.0 33.5 29.0 78 78 A E >> - 0 0 107 1,-0.1 4,-2.1 -3,-0.1 3,-0.9 -0.506 53.3-101.1 -81.8 156.8 -16.0 32.7 26.8 79 79 A L H 3> S+ 0 0 39 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.847 125.1 44.0 -45.4 -45.6 -16.4 34.4 23.4 80 80 A D H 3> S+ 0 0 123 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.786 112.0 54.7 -74.0 -24.8 -19.0 36.9 24.8 81 81 A E H <> S+ 0 0 98 -3,-0.9 4,-0.8 1,-0.2 -2,-0.2 0.784 109.4 46.8 -76.8 -28.4 -16.8 37.5 27.8 82 82 A I H X S+ 0 0 8 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.786 101.8 65.2 -82.3 -29.1 -13.8 38.3 25.6 83 83 A R H X S+ 0 0 75 -4,-1.5 4,-2.8 -5,-0.3 5,-0.2 0.853 97.2 56.4 -60.0 -37.6 -15.9 40.7 23.5 84 84 A K H X S+ 0 0 116 -4,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.925 109.6 44.6 -61.5 -46.1 -16.3 42.9 26.5 85 85 A I H X S+ 0 0 48 -4,-0.8 4,-2.7 2,-0.2 -47,-0.3 0.896 111.7 54.5 -64.6 -41.7 -12.6 43.2 26.9 86 86 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.930 107.5 48.2 -58.4 -48.4 -12.2 43.8 23.1 87 87 A D H X S+ 0 0 59 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.807 109.2 54.4 -63.3 -31.2 -14.7 46.7 23.1 88 88 A Y H >X S+ 0 0 54 -4,-1.5 4,-2.1 2,-0.2 3,-0.9 0.977 108.0 49.0 -64.0 -52.9 -12.8 48.1 26.1 89 89 A N H 3X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.3 5,-0.2 0.867 106.4 57.6 -51.8 -38.9 -9.6 47.9 24.0 90 90 A K H 3X S+ 0 0 75 -4,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.888 105.5 50.1 -60.7 -37.5 -11.6 49.6 21.2 91 91 A K H S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.3 4,-0.8 0.900 111.1 52.0 -54.5 -43.8 -7.4 52.9 20.9 94 94 A E H ><5S+ 0 0 96 -4,-2.1 3,-1.0 1,-0.3 -1,-0.3 0.902 108.3 51.8 -60.1 -37.3 -10.2 55.5 20.1 95 95 A A H 3<5S+ 0 0 14 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.796 103.6 58.3 -67.2 -27.9 -8.8 57.5 22.9 96 96 A M H 3<5S- 0 0 20 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.659 126.6-103.0 -76.0 -14.0 -5.4 57.2 21.4 97 97 A G T <<5S+ 0 0 37 -3,-1.0 2,-0.3 -4,-0.8 -3,-0.2 0.609 70.4 148.8 102.7 14.8 -6.8 58.8 18.3 98 98 A L < - 0 0 6 -5,-2.2 2,-0.6 1,-0.0 -1,-0.3 -0.641 30.5-164.8 -84.0 136.9 -7.2 55.7 16.1 99 99 A K + 0 0 170 -2,-0.3 -37,-0.5 2,-0.0 2,-0.2 -0.864 36.9 138.1-120.9 93.7 -10.0 55.7 13.6 100 100 A A - 0 0 27 -2,-0.6 2,-0.4 -39,-0.1 -37,-0.2 -0.762 54.5-110.8-133.5 177.0 -10.3 52.1 12.5 101 101 A K E -d 63 0A 139 -39,-2.1 -37,-2.8 -2,-0.2 2,-0.4 -0.909 34.0-145.1-106.8 135.6 -12.6 49.2 11.7 102 102 A Y E -d 64 0A 36 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.866 16.5-177.2-108.4 138.0 -12.6 46.3 14.2 103 103 A V E -d 65 0A 13 -39,-2.3 -37,-3.3 -2,-0.4 2,-0.4 -0.999 19.1-140.4-132.3 132.9 -13.1 42.7 13.2 104 104 A Y E > -d 66 0A 16 -2,-0.4 3,-2.2 -39,-0.2 4,-0.5 -0.804 18.4-131.5 -92.6 133.7 -13.3 39.8 15.7 105 105 A G G >> S+ 0 0 0 -39,-2.8 4,-2.9 -2,-0.4 3,-1.4 0.829 105.8 64.0 -52.0 -35.2 -11.4 36.7 14.5 106 106 A S G 34 S+ 0 0 21 -40,-0.4 4,-0.3 1,-0.3 -1,-0.3 0.752 86.5 73.7 -64.4 -21.3 -14.5 34.6 15.4 107 107 A E G <4 S- 0 0 111 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.837 123.5 -1.9 -60.5 -32.7 -16.4 36.5 12.7 108 108 A F T X4 S+ 0 0 5 -3,-1.4 3,-1.8 -4,-0.5 6,-0.3 0.645 105.6 89.0-134.0 -19.4 -14.5 34.6 9.9 109 109 A Q T 3< S+ 0 0 0 -4,-2.9 -3,-0.1 1,-0.3 -2,-0.1 0.415 96.0 45.0 -68.9 2.6 -11.8 32.2 11.1 110 110 A L T 3 S+ 0 0 16 -4,-0.3 -1,-0.3 -5,-0.2 299,-0.2 0.301 86.2 120.9-122.8 4.0 -14.2 29.2 11.4 111 111 A D S <> S- 0 0 41 -3,-1.8 4,-3.2 1,-0.1 5,-0.2 -0.366 71.8-120.5 -69.0 147.2 -15.9 29.9 8.1 112 112 A K H > S+ 0 0 113 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.893 111.9 50.4 -57.1 -46.2 -15.7 27.1 5.5 113 113 A D H > S+ 0 0 95 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.913 115.8 44.5 -61.3 -39.5 -13.9 29.1 2.9 114 114 A Y H > S+ 0 0 2 -6,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.936 114.1 47.2 -70.2 -47.5 -11.4 30.2 5.5 115 115 A T H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.910 108.6 55.9 -61.1 -40.4 -10.9 26.7 7.0 116 116 A L H X S+ 0 0 24 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.871 106.5 51.8 -61.5 -33.3 -10.6 25.2 3.5 117 117 A N H X S+ 0 0 26 -4,-1.2 4,-3.2 -5,-0.2 -1,-0.2 0.845 102.0 58.5 -73.3 -31.7 -7.7 27.6 2.9 118 118 A V H X S+ 0 0 4 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.986 109.0 45.5 -59.0 -53.4 -5.9 26.6 6.1 119 119 A Y H X S+ 0 0 16 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.875 112.7 50.5 -56.6 -41.6 -5.8 23.0 4.8 120 120 A R H >< S+ 0 0 92 -4,-1.9 3,-0.9 1,-0.2 4,-0.5 0.972 112.6 46.9 -60.1 -52.3 -4.7 24.1 1.3 121 121 A L H >< S+ 0 0 12 -4,-3.2 3,-1.6 1,-0.3 4,-0.3 0.895 108.0 56.3 -56.3 -40.7 -2.0 26.2 2.9 122 122 A A H >< S+ 0 0 0 -4,-2.9 308,-1.8 1,-0.3 3,-0.6 0.781 99.8 59.3 -63.4 -27.6 -0.9 23.3 5.2 123 123 A L T << S+ 0 0 40 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.580 111.9 41.2 -76.7 -10.1 -0.4 21.1 2.1 124 124 A K T < S+ 0 0 150 -3,-1.6 2,-0.5 -4,-0.5 -1,-0.2 0.297 99.4 84.8-118.8 6.4 2.2 23.5 0.8 125 125 A T S < S- 0 0 1 -3,-0.6 304,-3.8 -4,-0.3 305,-0.3 -0.948 71.5-135.9-116.2 124.9 4.0 24.4 4.1 126 126 A T B > -G 428 0C 43 -2,-0.5 4,-2.2 302,-0.3 302,-0.3 -0.419 21.4-120.5 -75.4 152.2 6.8 22.1 5.4 127 127 A L H > S+ 0 0 13 300,-3.9 4,-1.2 1,-0.2 301,-0.1 0.736 117.8 48.9 -63.5 -18.3 6.8 21.2 9.1 128 128 A K H > S+ 0 0 133 299,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.943 107.8 47.7 -83.5 -56.5 10.2 22.9 9.0 129 129 A R H > S+ 0 0 45 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.843 119.4 45.2 -53.0 -35.0 9.3 26.2 7.3 130 130 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.836 109.6 49.4 -81.1 -37.9 6.4 26.4 9.7 131 131 A R H < S+ 0 0 87 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.823 98.9 74.7 -71.3 -28.3 8.1 25.5 13.0 132 132 A R H < 0 0 179 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.947 360.0 360.0 -42.9 -73.3 10.7 28.1 12.0 133 133 A S < 0 0 30 -4,-0.8 -2,-0.1 35,-0.2 36,-0.1 0.981 360.0 360.0 -70.8 360.0 8.4 31.1 12.9 134 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 135 142 A E 0 0 220 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.3 9.1 22.2 26.7 136 143 A N - 0 0 78 286,-0.0 286,-0.1 284,-0.0 0, 0.0 -0.866 360.0-124.2-127.4 96.9 7.0 19.8 24.5 137 144 A P - 0 0 57 0, 0.0 284,-2.3 0, 0.0 285,-0.3 0.007 21.5-150.3 -41.1 129.6 5.8 21.3 21.1 138 145 A K B > -H 420 0D 65 282,-0.3 3,-0.9 283,-0.1 4,-0.4 -0.699 23.4-118.6-101.9 156.1 2.1 21.1 20.4 139 146 A V T >> S+ 0 0 0 280,-2.1 3,-2.0 277,-0.6 4,-0.9 0.869 109.1 70.8 -61.7 -36.2 0.6 20.8 16.9 140 147 A A H >> S+ 0 0 10 276,-2.5 4,-2.9 279,-0.3 3,-1.0 0.837 86.6 67.4 -47.5 -39.4 -1.2 24.2 17.4 141 148 A E H <4 S+ 0 0 70 -3,-0.9 -1,-0.3 275,-0.3 -2,-0.2 0.754 103.5 41.5 -56.6 -31.2 2.2 25.9 17.1 142 149 A V H <4 S+ 0 0 0 -3,-2.0 4,-0.3 -4,-0.4 -1,-0.3 0.564 114.9 52.7 -93.5 -10.5 2.7 25.0 13.5 143 150 A I H XX S+ 0 0 7 -3,-1.0 4,-1.9 -4,-0.9 3,-1.6 0.904 95.9 67.6 -85.7 -48.6 -0.9 25.8 12.7 144 151 A Y H 3X S+ 0 0 72 -4,-2.9 4,-1.9 1,-0.3 -2,-0.1 0.814 98.0 50.8 -39.1 -50.1 -0.9 29.3 14.1 145 152 A P H 3> S+ 0 0 5 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.818 109.9 49.5 -67.3 -26.4 1.5 30.8 11.6 146 153 A I H <> S+ 0 0 2 -3,-1.6 4,-2.4 -4,-0.3 -2,-0.2 0.855 107.5 54.7 -78.8 -31.0 -0.6 29.4 8.6 147 154 A M H X S+ 0 0 3 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.902 107.2 52.4 -63.2 -39.1 -3.8 30.9 10.1 148 155 A Q H X S+ 0 0 39 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.908 107.5 49.5 -63.3 -43.6 -2.0 34.2 10.2 149 156 A V H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 3,-0.3 0.932 110.4 52.4 -61.0 -43.2 -1.0 34.0 6.6 150 157 A N H X S+ 0 0 3 -4,-2.4 4,-3.3 1,-0.3 -1,-0.2 0.859 104.4 56.0 -61.1 -36.1 -4.7 33.2 5.9 151 158 A D H X S+ 0 0 8 -4,-2.0 4,-2.9 1,-0.2 -1,-0.3 0.884 106.1 51.1 -63.2 -37.8 -5.7 36.3 7.8 152 159 A I H < S+ 0 0 4 -4,-1.6 5,-0.4 -3,-0.3 4,-0.3 0.890 113.6 44.9 -67.7 -37.9 -3.6 38.4 5.5 153 160 A H H >< S+ 0 0 94 -4,-2.0 3,-1.4 2,-0.2 -2,-0.2 0.981 116.1 45.3 -67.5 -55.8 -5.2 36.8 2.5 154 161 A Y H 3< S+ 0 0 97 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.915 111.2 50.1 -55.4 -52.8 -8.7 37.1 3.8 155 162 A L T 3< S- 0 0 23 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.507 98.0-141.1 -69.4 -1.0 -8.5 40.7 5.1 156 163 A G < + 0 0 37 -3,-1.4 -126,-0.2 -4,-0.3 -3,-0.1 0.578 38.4 167.9 53.9 17.1 -7.1 41.8 1.7 157 164 A V - 0 0 1 -5,-0.4 -126,-0.2 1,-0.1 -1,-0.1 -0.050 41.3-153.5 -64.6 160.8 -4.6 44.2 3.2 158 165 A D S S+ 0 0 12 -128,-2.6 24,-2.6 1,-0.3 2,-0.4 0.695 87.0 37.8 -97.6 -29.4 -1.7 45.9 1.5 159 166 A V E -ce 31 182A 0 -129,-2.0 -127,-1.7 22,-0.2 2,-0.4 -0.981 62.0-165.2-130.7 136.0 0.2 46.3 4.7 160 167 A A E -ce 32 183A 0 22,-2.3 24,-2.5 -2,-0.4 2,-0.4 -0.978 16.5-162.3-118.0 129.0 0.5 44.0 7.8 161 168 A V E + e 0 184A 6 -129,-2.5 -127,-0.5 -2,-0.4 2,-0.3 -0.883 24.8 122.3-116.9 147.9 1.9 45.5 11.0 162 169 A G E - e 0 185A 0 22,-2.0 24,-2.3 -2,-0.4 -2,-0.0 -0.980 55.4 -59.9 179.4 175.4 3.4 43.9 14.0 163 170 A G E > - e 0 186A 3 -2,-0.3 3,-0.6 22,-0.2 25,-0.1 -0.241 50.9-107.2 -70.3 163.2 6.4 43.5 16.4 164 171 A M G > S+ 0 0 60 22,-1.5 3,-0.9 1,-0.2 -1,-0.1 0.648 111.2 76.2 -64.2 -15.8 9.8 42.3 15.3 165 172 A E G 3 S+ 0 0 110 1,-0.3 2,-0.8 2,-0.1 3,-0.5 0.936 95.7 42.4 -61.6 -52.0 9.0 39.0 17.0 166 173 A Q G < S+ 0 0 59 -3,-0.6 4,-0.3 1,-0.2 -1,-0.3 -0.336 77.7 119.3 -93.7 51.9 6.7 37.7 14.3 167 174 A R S < S+ 0 0 80 -3,-0.9 -1,-0.2 -2,-0.8 -2,-0.1 0.624 73.3 53.1 -88.4 -16.8 8.9 38.8 11.5 168 175 A K S >> S+ 0 0 67 -3,-0.5 4,-0.8 2,-0.2 3,-0.7 0.628 97.0 65.2 -91.0 -18.0 9.3 35.3 10.2 169 176 A I H 3> S+ 0 0 19 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.774 100.5 53.9 -72.3 -26.7 5.5 34.7 10.1 170 177 A H H 3> S+ 0 0 3 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.491 95.0 67.0 -85.5 -7.2 5.5 37.4 7.4 171 178 A M H <> S+ 0 0 68 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.836 98.9 52.7 -80.2 -33.9 8.1 35.5 5.3 172 179 A L H X S+ 0 0 2 -4,-0.8 4,-4.1 2,-0.2 5,-0.3 0.902 103.9 55.8 -64.4 -46.6 5.6 32.7 4.7 173 180 A A H X S+ 0 0 1 -4,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.953 108.6 46.4 -51.4 -56.2 2.9 35.1 3.5 174 181 A R H < S+ 0 0 55 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 118.5 45.0 -56.7 -34.2 5.3 36.5 0.8 175 182 A E H < S+ 0 0 112 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.919 122.6 32.7 -74.8 -45.7 6.1 32.9 0.0 176 183 A L H < S+ 0 0 42 -4,-4.1 -2,-0.2 -5,-0.1 -3,-0.2 0.536 102.7 71.2 -92.7 -14.2 2.5 31.4 0.0 177 184 A L < - 0 0 17 -4,-2.6 4,-0.1 -5,-0.3 -27,-0.0 -0.849 69.7-134.4-110.5 146.1 0.1 34.1 -1.3 178 185 A P S S+ 0 0 126 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.953 93.7 60.1 -57.7 -49.9 -0.3 35.4 -4.8 179 186 A K S S- 0 0 94 -3,-0.1 2,-0.5 1,-0.0 -2,-0.1 -0.643 85.0-134.8 -82.6 130.1 -0.4 39.1 -3.7 180 187 A K - 0 0 119 -2,-0.4 2,-0.4 -5,-0.0 -6,-0.1 -0.713 17.8-153.6 -89.9 131.9 2.7 40.3 -1.9 181 188 A V - 0 0 4 -2,-0.5 2,-0.4 -11,-0.1 -22,-0.2 -0.804 16.4-120.9-105.6 144.7 2.1 42.4 1.2 182 189 A V E - e 0 159A 2 -24,-2.6 -22,-2.3 -2,-0.4 2,-0.4 -0.685 28.4-148.7 -80.5 129.3 4.4 45.0 2.7 183 190 A C E -Ae 15 160A 0 -168,-0.8 -168,-2.5 -2,-0.4 2,-0.5 -0.845 9.7-165.6-101.9 138.9 5.4 44.1 6.3 184 191 A I E -Ae 14 161A 0 -24,-2.5 -22,-2.0 -2,-0.4 2,-0.5 -0.985 6.7-162.0-124.3 120.5 6.1 46.8 8.9 185 192 A H E -Ae 13 162A 0 -172,-3.1 -173,-2.1 -2,-0.5 -172,-1.3 -0.895 2.7-154.5-109.5 131.6 7.8 45.8 12.1 186 193 A N E - e 0 163A 1 -24,-2.3 -22,-1.5 -2,-0.5 -175,-0.2 -0.715 31.1 -97.6 -98.7 148.9 7.9 47.9 15.3 187 194 A P - 0 0 18 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.216 34.9-117.1 -62.3 157.9 10.6 47.6 17.9 188 195 A V - 0 0 88 -25,-0.1 2,-0.2 -24,-0.0 -144,-0.0 -0.852 27.8-128.7 -97.5 126.5 10.1 45.5 21.0 189 196 A L - 0 0 46 -2,-0.5 2,-0.3 1,-0.1 3,-0.1 -0.536 17.7-123.4 -78.2 142.0 10.1 47.4 24.3 190 197 A T - 0 0 33 -2,-0.2 5,-0.1 1,-0.1 -1,-0.1 -0.640 34.5-104.5 -82.3 138.1 12.4 46.2 27.1 191 198 A G > - 0 0 17 4,-0.7 3,-2.0 -2,-0.3 9,-0.2 -0.182 30.8-106.9 -59.5 155.5 10.6 45.4 30.3 192 199 A L T 3 S+ 0 0 8 7,-1.6 26,-2.6 1,-0.3 37,-0.1 0.819 123.5 51.3 -52.6 -32.2 10.9 47.9 33.2 193 200 A D T 3 S- 0 0 67 24,-0.2 -1,-0.3 2,-0.1 26,-0.1 0.605 123.7-104.2 -82.5 -12.1 13.2 45.4 34.9 194 201 A G < 0 0 27 -3,-2.0 -2,-0.1 1,-0.2 23,-0.0 0.386 360.0 360.0 106.2 -3.1 15.4 45.0 31.8 195 202 A E 0 0 175 -5,-0.1 -4,-0.7 4,-0.0 -1,-0.2 -0.519 360.0 360.0 -73.6 360.0 14.2 41.6 30.7 196 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 197 209 A K 0 0 236 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.4 4.6 40.7 33.7 198 210 A G + 0 0 48 1,-0.1 2,-0.2 3,-0.0 0, 0.0 0.244 360.0 91.1-110.4 9.2 4.6 43.5 36.2 199 211 A N + 0 0 47 2,-0.1 -7,-1.6 -4,-0.1 2,-0.3 -0.278 65.8 100.5 -98.7 44.6 7.2 45.5 34.2 200 212 A F - 0 0 60 -2,-0.2 2,-0.6 -9,-0.2 -9,-0.0 -0.944 62.7-141.1-130.1 149.9 4.7 47.4 32.1 201 213 A I - 0 0 4 -2,-0.3 -158,-1.2 4,-0.0 2,-0.2 -0.965 24.3-141.7-110.8 118.0 3.3 50.9 32.3 202 214 A A B > -F 42 0B 0 -2,-0.6 3,-2.1 -160,-0.2 -160,-0.3 -0.572 14.4-127.8 -79.7 143.2 -0.4 51.0 31.5 203 215 A V T 3 S+ 0 0 0 -162,-2.6 88,-0.2 1,-0.3 -1,-0.1 0.692 113.0 46.1 -64.6 -15.9 -1.6 53.9 29.4 204 216 A D T 3 S+ 0 0 50 -163,-0.3 -1,-0.3 86,-0.1 -162,-0.1 0.210 84.0 127.3-111.4 15.9 -4.2 54.4 32.1 205 217 A D < - 0 0 2 -3,-2.1 86,-0.1 1,-0.1 -4,-0.0 -0.333 65.2-102.0 -67.3 154.8 -1.9 54.1 35.1 206 218 A S > - 0 0 28 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.323 24.8-111.3 -77.4 158.9 -2.0 56.9 37.7 207 219 A P H > S+ 0 0 25 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.854 122.3 52.6 -58.2 -29.3 0.6 59.7 37.9 208 220 A E H > S+ 0 0 124 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.958 109.4 45.6 -68.1 -53.4 1.6 58.0 41.2 209 221 A E H > S+ 0 0 95 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.866 111.4 53.1 -59.6 -39.5 2.0 54.5 39.7 210 222 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.965 110.4 45.9 -63.2 -50.9 4.0 55.8 36.8 211 223 A R H X S+ 0 0 85 -4,-1.9 4,-3.0 -5,-0.2 -2,-0.2 0.938 116.0 49.1 -55.6 -45.0 6.4 57.6 39.0 212 224 A A H X S+ 0 0 54 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.972 111.8 45.3 -58.4 -58.5 6.6 54.5 41.1 213 225 A K H < S+ 0 0 30 -4,-3.7 4,-0.3 1,-0.2 -1,-0.2 0.843 115.1 50.3 -56.6 -34.7 7.1 52.1 38.2 214 226 A I H >< S+ 0 0 3 -4,-2.7 3,-1.7 -5,-0.2 -1,-0.2 0.945 104.8 55.9 -70.5 -47.9 9.8 54.4 36.8 215 227 A K H 3< S+ 0 0 149 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.902 109.1 44.9 -51.4 -49.1 11.7 54.8 40.0 216 228 A K T 3< S+ 0 0 129 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.487 94.1 122.8 -75.8 -0.8 12.4 51.1 40.5 217 229 A A S < S- 0 0 8 -3,-1.7 -24,-0.2 -4,-0.3 -25,-0.1 -0.229 71.2-103.7 -70.0 148.4 13.3 50.7 36.9 218 230 A Y + 0 0 105 -26,-2.6 11,-0.6 -27,-0.1 -24,-0.1 -0.374 54.2 147.6 -62.6 143.0 16.5 49.3 35.4 219 231 A C - 0 0 14 9,-0.1 57,-0.1 -26,-0.1 3,-0.1 -0.060 27.2-162.1 180.0 65.1 18.6 52.2 34.0 220 232 A P - 0 0 37 0, 0.0 3,-0.4 0, 0.0 2,-0.1 -0.301 33.2-107.4 -60.9 137.2 22.5 51.9 34.1 221 233 A A S S+ 0 0 46 1,-0.2 2,-0.4 47,-0.0 50,-0.1 -0.427 102.5 9.1 -64.5 134.0 24.3 55.2 33.7 222 234 A G S S+ 0 0 17 43,-0.6 2,-0.4 48,-0.3 -1,-0.2 -0.115 103.7 108.0 88.6 -38.8 25.9 55.5 30.3 223 235 A V + 0 0 49 -3,-0.4 -1,-0.2 -2,-0.4 43,-0.0 -0.616 32.6 164.4 -79.9 129.5 24.2 52.4 29.0 224 236 A V > + 0 0 12 -2,-0.4 3,-1.7 -3,-0.1 7,-0.2 0.712 48.9 89.3-110.1 -40.4 21.5 53.0 26.4 225 237 A E T 3 S+ 0 0 126 1,-0.3 5,-0.0 5,-0.1 -2,-0.0 -0.418 105.4 6.3 -64.5 134.7 20.9 49.5 24.8 226 238 A G T 3 S+ 0 0 34 1,-0.2 -1,-0.3 -2,-0.1 -3,-0.0 0.570 94.7 137.8 68.4 7.1 18.3 47.5 26.6 227 239 A N <> - 0 0 0 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 -0.779 41.5-160.8 -90.6 106.0 17.6 50.5 28.8 228 240 A P H > S+ 0 0 5 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.832 87.3 53.0 -54.1 -40.2 13.8 50.8 29.3 229 241 A I H > S+ 0 0 0 -11,-0.6 4,-1.8 2,-0.2 3,-0.2 0.948 109.0 47.5 -65.7 -47.0 13.8 54.5 30.3 230 242 A M H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.925 108.4 57.2 -58.0 -44.5 15.8 55.7 27.3 231 243 A E H X S+ 0 0 31 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.866 104.0 52.3 -53.2 -42.8 13.4 53.6 25.1 232 244 A I H X>S+ 0 0 9 -4,-1.6 4,-2.8 -3,-0.2 5,-1.0 0.945 109.5 48.8 -59.9 -49.2 10.4 55.5 26.4 233 245 A A H <5S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.835 112.6 48.9 -59.7 -36.5 12.1 58.9 25.7 234 246 A K H <5S+ 0 0 58 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.860 121.6 33.1 -72.4 -36.2 12.9 57.7 22.2 235 247 A Y H <5S+ 0 0 30 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.627 131.0 16.3-100.0 -16.6 9.4 56.5 21.4 236 248 A F T <5S+ 0 0 2 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.678 92.5 96.6-127.8 -29.1 6.9 58.6 23.2 237 249 A L < - 0 0 5 -5,-1.0 2,-0.3 -4,-0.1 21,-0.1 -0.307 64.2-128.6 -70.1 146.9 8.4 61.9 24.4 238 250 A E - 0 0 122 44,-0.1 -1,-0.1 2,-0.1 19,-0.1 -0.656 35.5 -96.2 -93.0 149.0 8.1 65.2 22.4 239 251 A Y S S+ 0 0 53 -2,-0.3 2,-0.2 17,-0.1 17,-0.2 -0.936 92.6 36.5-126.9 151.3 11.0 67.4 21.5 240 252 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 16,-0.2 0.561 76.2 165.6 -73.6 164.0 12.5 69.7 22.4 241 253 A L E -I 255 0E 14 14,-1.8 14,-1.3 -2,-0.2 2,-0.5 -0.978 27.9-134.2-141.9 148.0 12.1 69.0 26.1 242 254 A T E -I 254 0E 65 -2,-0.3 2,-0.8 12,-0.2 12,-0.2 -0.924 7.5-141.9-113.3 130.2 13.9 70.5 29.1 243 255 A I E -I 253 0E 4 10,-2.6 10,-1.5 -2,-0.5 32,-0.1 -0.789 24.9-130.5 -89.3 107.2 15.4 68.5 32.0 244 256 A K - 0 0 135 -2,-0.8 34,-0.1 8,-0.2 33,-0.1 -0.341 38.2-178.7 -55.9 131.8 14.8 70.6 35.1 245 257 A R - 0 0 16 5,-0.1 7,-0.6 -2,-0.0 5,-0.1 -0.996 33.9-100.2-146.2 144.3 18.1 70.7 37.0 246 258 A P > > - 0 0 54 0, 0.0 5,-1.7 0, 0.0 3,-0.6 -0.305 34.8-125.6 -56.8 133.9 19.8 72.1 40.2 247 259 A E T 3 5S+ 0 0 189 1,-0.3 3,-0.2 2,-0.2 -2,-0.0 0.749 114.4 43.7 -54.0 -21.2 21.7 75.3 39.4 248 260 A K T 3 5S+ 0 0 173 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.703 102.9 63.1 -96.3 -25.8 24.6 73.5 41.0 249 261 A F T < 5S- 0 0 114 -3,-0.6 -2,-0.2 1,-0.1 -1,-0.2 0.281 134.9 -72.6 -84.5 11.9 24.2 70.0 39.4 250 262 A G T 5S- 0 0 59 -4,-0.4 -3,-0.2 -3,-0.2 -2,-0.1 0.001 73.3-118.5 122.5 -28.1 24.8 71.4 35.9 251 263 A G < - 0 0 12 -5,-1.7 -4,-0.1 2,-0.1 -8,-0.1 0.056 57.2 -15.4 81.4 166.7 21.5 73.3 35.4 252 264 A D - 0 0 106 -7,-0.6 2,-0.4 1,-0.1 -8,-0.2 0.017 58.3-153.5 -41.2 135.6 18.7 72.9 32.9 253 265 A L E -I 243 0E 29 -10,-1.5 -10,-2.6 2,-0.0 2,-0.5 -0.955 5.3-164.5-115.5 134.3 19.4 70.9 29.8 254 266 A T E -I 242 0E 80 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.835 10.2-178.8-124.2 94.1 17.4 71.5 26.7 255 267 A V E -I 241 0E 2 -14,-1.3 -14,-1.8 -2,-0.5 3,-0.1 -0.667 15.1-163.5 -88.8 146.6 17.7 68.7 24.2 256 268 A N S S+ 0 0 93 -2,-0.3 2,-0.3 -16,-0.2 -17,-0.1 0.370 71.3 24.7-111.1 2.0 16.0 69.1 20.8 257 269 A S S > S- 0 0 32 1,-0.1 4,-1.9 -16,-0.1 -1,-0.1 -0.983 76.3-113.8-159.1 159.1 16.1 65.5 19.7 258 270 A Y H > S+ 0 0 19 -2,-0.3 4,-3.5 1,-0.2 5,-0.2 0.911 116.2 63.6 -61.3 -39.5 16.3 62.0 21.2 259 271 A E H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 103.3 44.2 -49.7 -50.9 19.7 61.9 19.4 260 272 A E H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.970 113.4 51.4 -61.0 -52.8 21.1 64.7 21.6 261 273 A L H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.925 108.5 52.3 -47.8 -51.4 19.6 63.1 24.7 262 274 A E H X S+ 0 0 52 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.942 109.2 49.4 -52.1 -52.0 21.2 59.8 23.8 263 275 A S H X S+ 0 0 73 -4,-2.4 4,-2.2 1,-0.2 6,-0.3 0.950 111.0 48.9 -51.9 -56.2 24.6 61.5 23.4 264 276 A L H <>S+ 0 0 37 -4,-2.7 5,-1.4 1,-0.2 6,-1.3 0.865 111.9 50.0 -52.6 -41.4 24.4 63.3 26.8 265 277 A F H ><5S+ 0 0 0 -4,-2.7 3,-0.8 -5,-0.3 -43,-0.6 0.876 109.4 50.9 -68.4 -37.7 23.4 60.0 28.4 266 278 A K H 3<5S+ 0 0 109 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.923 109.8 47.0 -66.1 -47.5 26.3 58.0 26.9 267 279 A N T 3<5S- 0 0 97 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.299 116.3-118.1 -78.0 10.9 29.0 60.5 28.0 268 280 A K T < 5S+ 0 0 129 -3,-0.8 -3,-0.2 -5,-0.2 -2,-0.1 0.554 77.2 131.5 63.5 12.5 27.3 60.4 31.4 269 281 A E S - 0 0 90 -2,-0.5 4,-1.8 -50,-0.1 5,-0.2 -0.501 25.2-106.7 -85.5 154.8 22.7 60.8 35.3 272 284 A P H > S+ 0 0 25 0, 0.0 4,-2.7 0, 0.0 3,-0.2 0.868 116.7 48.2 -43.2 -53.9 20.0 58.1 35.7 273 285 A M H > S+ 0 0 153 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.929 109.9 51.0 -57.8 -49.0 17.9 59.9 38.3 274 286 A D H > S+ 0 0 33 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.843 113.6 46.8 -59.6 -32.3 17.9 63.2 36.4 275 287 A L H X S+ 0 0 2 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.933 108.6 54.6 -74.9 -47.0 16.7 61.3 33.3 276 288 A K H X S+ 0 0 31 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.898 106.6 49.2 -53.1 -50.0 14.0 59.3 35.2 277 289 A N H X S+ 0 0 78 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.879 112.9 49.2 -61.9 -36.5 12.2 62.3 36.7 278 290 A A H X S+ 0 0 10 -4,-1.0 4,-2.1 -5,-0.3 -2,-0.2 0.970 114.5 42.0 -66.0 -54.0 12.1 64.0 33.3 279 291 A V H X S+ 0 0 3 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.880 114.7 54.8 -61.2 -37.6 10.7 61.0 31.4 280 292 A A H X S+ 0 0 4 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.978 113.4 35.9 -61.3 -62.4 8.3 60.3 34.2 281 293 A E H X S+ 0 0 42 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.843 119.5 54.4 -62.2 -30.5 6.6 63.7 34.5 282 294 A E H X S+ 0 0 47 -4,-2.1 4,-2.0 -5,-0.3 3,-0.3 0.922 108.3 46.1 -68.7 -44.5 6.9 63.9 30.7 283 295 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.936 107.0 60.6 -62.2 -45.8 5.2 60.6 30.1 284 296 A I H X S+ 0 0 16 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.828 106.8 45.4 -50.2 -38.5 2.4 61.5 32.6 285 297 A K H < S+ 0 0 129 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.932 112.3 51.2 -73.8 -44.9 1.5 64.6 30.5 286 298 A I H < S+ 0 0 32 -4,-2.0 -2,-0.2 1,-0.2 4,-0.2 0.848 116.2 39.7 -61.5 -36.2 1.6 62.6 27.2 287 299 A L H >X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-1.5 0.700 95.0 87.9 -85.7 -19.5 -0.7 59.8 28.6 288 300 A E H 3X S+ 0 0 67 -4,-1.1 4,-1.9 -5,-0.3 -2,-0.2 0.889 83.0 53.2 -43.9 -57.9 -3.0 62.3 30.4 289 301 A P H 3> S+ 0 0 70 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.757 113.1 46.3 -53.6 -26.3 -5.4 63.0 27.5 290 302 A I H <> S+ 0 0 7 -3,-1.5 4,-0.5 -4,-0.2 -2,-0.2 0.899 106.3 55.7 -83.6 -44.3 -5.9 59.3 27.2 291 303 A R H >< S+ 0 0 68 -4,-2.2 3,-0.8 -88,-0.2 -3,-0.1 0.845 102.9 59.1 -56.0 -37.9 -6.5 58.5 30.9 292 304 A K H 3< S+ 0 0 156 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.948 103.1 48.0 -56.5 -56.0 -9.3 61.1 31.0 293 305 A R H 3< 0 0 184 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.541 360.0 360.0 -65.8 -5.7 -11.5 59.5 28.3 294 306 A L << 0 0 88 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.594 360.0 360.0-101.3 360.0 -11.0 56.2 30.1 295 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 296 2 B D > 0 0 144 0, 0.0 4,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.4 -20.5 -16.1 18.8 297 3 B E H > + 0 0 91 2,-0.2 4,-2.2 1,-0.1 5,-0.2 0.844 360.0 58.7 -83.5 -37.2 -20.1 -12.4 17.8 298 4 B F H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.930 110.7 43.8 -59.9 -44.3 -16.7 -11.6 19.3 299 5 B E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.941 109.9 55.7 -65.4 -46.6 -15.0 -14.4 17.3 300 6 B M H < S+ 0 0 95 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.870 112.3 43.2 -52.3 -41.8 -16.9 -13.4 14.1 301 7 B I H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.891 112.9 51.2 -73.3 -39.3 -15.6 -9.9 14.3 302 8 B K H >< S+ 0 0 82 -4,-2.2 3,-1.7 -5,-0.2 -2,-0.2 0.788 83.9 120.6 -68.6 -25.6 -12.1 -11.0 15.3 303 9 B R T 3< S- 0 0 139 -4,-2.3 45,-0.1 1,-0.3 -3,-0.0 -0.097 87.0 -8.2 -46.5 122.2 -12.0 -13.3 12.3 304 10 B N T 3 S+ 0 0 37 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.775 98.0 136.5 60.2 32.4 -9.2 -12.5 9.8 305 11 B T < - 0 0 21 -3,-1.7 169,-0.2 1,-0.2 -1,-0.2 -0.783 55.2-138.8-107.1 151.6 -8.2 -9.3 11.5 306 12 B S S S- 0 0 55 167,-2.0 2,-0.3 -2,-0.3 -1,-0.2 0.981 82.1 -19.4 -66.3 -73.0 -4.6 -8.2 12.2 307 13 B E E -J 473 0F 88 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0.955 115.6 46.7 -63.9 -50.5 -8.6 -19.8 -6.6 568 292 B A H X S+ 0 0 4 -4,-3.4 4,-2.7 1,-0.2 5,-0.2 0.944 114.0 46.2 -57.5 -51.8 -9.5 -18.2 -9.9 569 293 B E H X S+ 0 0 66 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.821 119.4 40.9 -63.8 -31.4 -12.5 -20.3 -10.6 570 294 B E H X S+ 0 0 55 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.880 112.3 53.9 -82.6 -40.7 -13.8 -19.9 -7.0 571 295 B L H >X S+ 0 0 0 -4,-3.5 4,-2.4 -5,-0.2 3,-0.8 0.943 109.3 51.2 -56.5 -48.1 -12.9 -16.2 -6.8 572 296 B I H 3X S+ 0 0 12 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.892 107.1 51.5 -55.8 -46.0 -14.9 -15.7 -10.0 573 297 B K H 3< S+ 0 0 144 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.732 112.1 48.7 -67.0 -20.5 -18.0 -17.5 -8.6 574 298 B I H << S+ 0 0 47 -4,-1.4 4,-0.2 -3,-0.8 -2,-0.2 0.896 112.8 43.6 -84.7 -45.1 -17.9 -15.3 -5.5 575 299 B L H >X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-2.1 0.799 96.9 79.3 -71.1 -28.8 -17.5 -11.9 -7.1 576 300 B E H 3X S+ 0 0 86 -4,-2.0 4,-3.2 1,-0.3 -1,-0.2 0.892 83.1 59.4 -46.6 -54.9 -20.2 -12.7 -9.8 577 301 B P H 34 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.706 114.3 42.0 -51.1 -18.0 -23.2 -12.1 -7.5 578 302 B I H X> S+ 0 0 7 -3,-2.1 3,-1.8 -4,-0.2 4,-0.6 0.898 113.4 46.5 -91.9 -58.0 -21.8 -8.6 -7.2 579 303 B R H >< S+ 0 0 63 -4,-2.2 3,-0.7 -88,-0.4 -3,-0.2 0.787 104.6 66.5 -54.2 -28.7 -20.7 -7.9 -10.8 580 304 B K T 3< S+ 0 0 157 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.1 0.132 104.7 44.3 -80.9 20.6 -24.1 -9.2 -11.7 581 305 B R T <4 0 0 167 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.392 360.0 360.0-138.5 -10.4 -25.6 -6.1 -10.0 582 306 B L << 0 0 104 -3,-0.7 -196,-0.0 -4,-0.6 -3,-0.0 -0.295 360.0 360.0 -98.1 360.0 -23.4 -3.3 -11.2