==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 26-JUL-05 2AG6 . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR J.M.TURNER,J.GRAZIANO,G.SPRAGGON,P.G.SCHULTZ . 308 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.1 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 . 17 5.5 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 . 116 37.7 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 0 0 2 1 1 3 2 0 0 1 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 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 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 1 A M 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.1 93.3 58.7 9.3 2 2 A D > - 0 0 91 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.012 360.0 -83.7 -62.0-176.2 91.9 60.9 6.5 3 3 A E H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.944 130.7 51.7 -61.8 -47.2 88.7 59.8 4.8 4 4 A F H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.913 112.0 45.2 -57.4 -45.9 90.5 57.5 2.4 5 5 A E H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.886 110.2 54.3 -70.7 -37.7 92.3 55.7 5.2 6 6 A M H < S+ 0 0 25 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.929 113.6 43.3 -54.6 -46.2 89.2 55.4 7.3 7 7 A I H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.926 114.1 49.5 -69.6 -42.3 87.5 53.8 4.4 8 8 A K H >< S+ 0 0 74 -4,-2.7 3,-2.1 -5,-0.2 -1,-0.2 0.748 84.0 116.6 -66.8 -24.1 90.5 51.6 3.6 9 9 A R T 3< S- 0 0 93 -4,-1.8 3,-0.1 1,-0.3 -3,-0.0 -0.225 90.1 -5.4 -55.0 127.7 90.8 50.5 7.2 10 10 A N T 3 S+ 0 0 36 1,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.632 99.9 127.6 61.1 21.9 90.2 46.7 7.5 11 11 A T < - 0 0 25 -3,-2.1 182,-0.3 182,-0.2 -1,-0.2 -0.690 57.2-140.3 -96.0 160.2 89.3 46.1 3.8 12 12 A S S S- 0 0 57 180,-3.2 2,-0.3 1,-0.3 181,-0.2 0.805 76.3 -14.2 -90.5 -33.8 91.0 43.5 1.7 13 13 A E E -A 192 0A 38 179,-1.4 179,-3.1 2,-0.0 2,-0.4 -0.968 49.5-149.3-163.9 156.2 91.3 45.5 -1.5 14 14 A I E > -A 191 0A 12 -2,-0.3 3,-0.6 177,-0.2 2,-0.6 -0.999 26.7-129.8-129.3 128.2 89.9 48.6 -3.2 15 15 A I E 3 S-A 190 0A 39 175,-3.6 175,-2.3 -2,-0.4 173,-0.1 -0.887 91.8 -0.8-122.6 98.1 89.6 48.5 -7.0 16 16 A S T 3> - 0 0 35 -2,-0.6 4,-2.4 173,-0.2 -1,-0.4 0.662 58.6-170.9-114.9 163.4 91.0 51.0 -7.5 17 17 A E H <> S+ 0 0 69 -3,-0.6 4,-1.9 2,-0.2 5,-0.1 0.848 97.4 52.9 -66.5 -34.8 92.4 53.3 -4.9 18 18 A E H > S+ 0 0 150 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.947 110.6 49.2 -66.4 -41.0 93.1 56.1 -7.5 19 19 A E H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.929 108.9 52.2 -60.4 -40.9 89.5 55.7 -8.6 20 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.872 106.3 53.7 -63.3 -38.2 88.3 56.0 -4.9 21 21 A R H X S+ 0 0 91 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.879 107.6 50.5 -65.7 -36.4 90.3 59.2 -4.4 22 22 A E H >< S+ 0 0 139 -4,-1.7 3,-0.7 -3,-0.2 4,-0.5 0.911 110.6 50.8 -63.7 -45.4 88.6 60.7 -7.4 23 23 A V H >< S+ 0 0 12 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.934 103.2 58.0 -59.1 -46.1 85.2 59.7 -5.9 24 24 A L H 3< S+ 0 0 34 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.740 97.1 63.0 -58.8 -25.6 86.0 61.3 -2.6 25 25 A K T << S+ 0 0 178 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.705 87.3 93.9 -71.0 -20.0 86.5 64.7 -4.2 26 26 A K S < S- 0 0 90 -3,-1.8 3,-0.1 -4,-0.5 -3,-0.0 -0.407 74.2-135.9 -75.4 149.4 82.9 64.8 -5.4 27 27 A D S S+ 0 0 150 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.904 94.5 36.7 -64.8 -45.1 80.1 66.4 -3.5 28 28 A E S S+ 0 0 149 32,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.957 70.5 160.1-118.4 129.6 77.7 63.6 -4.0 29 29 A K E -b 60 0A 21 30,-0.6 32,-2.8 -2,-0.5 2,-0.4 -0.982 19.0-155.2-144.2 145.7 78.8 60.1 -4.0 30 30 A S E -b 61 0A 13 -2,-0.3 135,-2.0 30,-0.3 136,-1.6 -0.956 2.3-162.8-124.4 147.1 76.9 56.8 -3.5 31 31 A A E -bc 62 166A 0 30,-2.7 32,-3.0 -2,-0.4 2,-0.4 -0.980 8.1-160.5-129.2 138.1 77.9 53.4 -2.3 32 32 A L E +bc 63 167A 8 134,-2.5 136,-2.6 -2,-0.4 2,-0.3 -0.904 11.8 177.5-117.2 142.5 76.0 50.2 -2.8 33 33 A I E -b 64 0A 2 30,-2.2 32,-2.8 -2,-0.4 2,-0.4 -0.987 13.3-156.5-133.3 139.6 76.1 46.8 -1.1 34 34 A G E -b 65 0A 6 134,-0.5 2,-0.4 -2,-0.3 32,-0.2 -0.925 8.8-174.4-110.2 145.5 73.8 43.9 -1.8 35 35 A F E -b 66 0A 4 30,-2.3 32,-2.4 -2,-0.4 36,-0.1 -0.998 28.8-129.7-131.1 130.3 72.9 41.1 0.5 36 36 A E - 0 0 18 -2,-0.4 32,-0.1 30,-0.2 30,-0.0 -0.658 54.4 -99.4 -60.8 126.6 70.9 38.0 -0.2 37 37 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 49,-0.2 -0.325 43.4-155.6 -57.3 140.9 68.6 38.2 2.8 38 38 A S - 0 0 11 47,-0.3 3,-0.0 1,-0.1 51,-0.0 -0.926 22.6-137.1-126.3 139.2 69.7 36.0 5.7 39 39 A G S S+ 0 0 50 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.841 100.1 37.7 -66.4 -31.4 67.6 34.5 8.5 40 40 A K S S- 0 0 95 -3,-0.0 2,-0.6 175,-0.0 -1,-0.2 -0.972 76.7-146.9-119.3 133.0 70.4 35.4 10.8 41 41 A I - 0 0 0 -2,-0.4 174,-2.5 3,-0.0 175,-0.4 -0.903 31.2-179.2 -97.4 123.4 72.5 38.6 10.6 42 42 A H B > -F 214 0B 14 -2,-0.6 4,-2.3 172,-0.3 3,-0.4 -0.397 44.5 -83.0-120.8-178.6 76.0 37.7 11.8 43 43 A L H > S+ 0 0 0 170,-1.6 4,-3.0 1,-0.2 5,-0.2 0.806 122.7 62.1 -62.2 -26.9 79.3 39.4 12.3 44 44 A G H > S+ 0 0 17 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.934 108.5 42.6 -62.5 -45.2 80.2 39.0 8.6 45 45 A H H > S+ 0 0 17 -3,-0.4 4,-2.6 2,-0.2 3,-0.5 0.937 113.3 53.1 -58.9 -50.8 77.3 41.2 7.8 46 46 A Y H X S+ 0 0 28 -4,-2.3 4,-2.8 1,-0.3 -2,-0.2 0.868 103.2 57.3 -56.5 -40.0 78.1 43.6 10.6 47 47 A L H X S+ 0 0 9 -4,-3.0 4,-1.3 1,-0.2 -1,-0.3 0.893 111.3 42.4 -57.7 -40.7 81.7 43.9 9.4 48 48 A Q H X S+ 0 0 19 -4,-1.1 4,-2.0 -3,-0.5 -2,-0.2 0.898 112.1 52.7 -75.9 -37.9 80.4 45.1 6.0 49 49 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.904 105.8 55.2 -62.3 -40.6 77.7 47.3 7.5 50 50 A K H X S+ 0 0 49 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.894 107.4 50.8 -54.5 -41.0 80.4 48.9 9.6 51 51 A K H X S+ 0 0 8 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.862 107.7 51.0 -68.1 -37.3 82.2 49.6 6.3 52 52 A M H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.867 108.3 53.9 -62.6 -37.5 79.1 51.2 4.8 53 53 A I H X S+ 0 0 33 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.921 105.5 52.4 -65.1 -44.0 78.9 53.3 8.0 54 54 A D H X S+ 0 0 34 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.925 110.7 48.0 -49.3 -48.1 82.5 54.5 7.3 55 55 A L H <>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 3,-0.3 0.925 110.1 51.6 -62.1 -42.5 81.4 55.4 3.8 56 56 A Q H ><5S+ 0 0 49 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.862 108.4 50.8 -60.2 -39.5 78.4 57.3 5.3 57 57 A N H 3<5S+ 0 0 99 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.760 104.9 58.9 -70.0 -24.5 80.7 59.1 7.6 58 58 A A T 3<5S- 0 0 1 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.241 129.3 -97.9 -85.8 9.7 82.7 60.0 4.5 59 59 A G T < 5S+ 0 0 43 -3,-1.4 -30,-0.6 1,-0.3 2,-0.3 0.602 76.4 143.0 85.5 13.1 79.7 61.6 3.0 60 60 A F E < -b 29 0A 5 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.3 -0.657 51.8-128.2 -80.9 141.2 78.5 58.8 0.8 61 61 A D E -b 30 0A 100 -32,-2.8 -30,-2.7 -2,-0.3 2,-0.4 -0.747 33.0-137.3 -77.9 136.2 74.8 58.1 0.3 62 62 A I E -b 31 0A 7 -2,-0.4 39,-2.6 37,-0.4 2,-0.4 -0.867 19.4-169.1-108.4 133.0 74.3 54.4 1.1 63 63 A I E -bd 32 101A 42 -32,-3.0 -30,-2.2 -2,-0.4 2,-0.6 -0.983 3.9-164.2-120.4 127.0 72.2 52.0 -0.8 64 64 A I E -bd 33 102A 0 37,-3.0 39,-2.5 -2,-0.4 2,-0.7 -0.962 9.4-155.1-108.5 113.2 71.4 48.5 0.6 65 65 A L E -bd 34 103A 2 -32,-2.8 -30,-2.3 -2,-0.6 2,-1.1 -0.853 6.5-150.8 -86.2 117.3 70.1 46.2 -2.1 66 66 A L E -bd 35 104A 0 37,-3.5 39,-2.6 -2,-0.7 2,-2.2 -0.861 18.7-150.5 -86.2 99.7 68.0 43.5 -0.4 67 67 A A > + 0 0 0 -32,-2.4 4,-2.3 -2,-1.1 5,-0.2 -0.452 37.7 152.9 -83.7 69.2 68.9 41.1 -3.2 68 68 A D H > S+ 0 0 0 -2,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.882 71.0 48.5 -70.3 -37.8 65.7 39.0 -3.0 69 69 A L H > S+ 0 0 12 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.901 111.8 51.3 -72.8 -39.0 65.8 37.8 -6.7 70 70 A H H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.944 110.3 48.1 -60.2 -44.5 69.4 36.8 -6.3 71 71 A A H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 6,-0.3 0.881 109.8 53.7 -62.1 -38.6 68.6 34.8 -3.2 72 72 A Y H ><5S+ 0 0 107 -4,-2.3 3,-1.5 1,-0.2 5,-0.4 0.954 110.1 45.8 -56.7 -52.7 65.7 33.3 -5.0 73 73 A L H 3<5S+ 0 0 23 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.763 108.7 58.7 -61.9 -28.2 68.1 32.2 -7.8 74 74 A N T 3<5S- 0 0 4 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.007 120.7-107.2 -95.7 27.1 70.5 31.0 -5.1 75 75 A Q T < 5S+ 0 0 82 -3,-1.5 -3,-0.2 2,-0.1 -2,-0.1 0.664 76.8 135.5 65.8 26.2 67.9 28.6 -3.7 76 76 A K S - 0 0 109 -2,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.487 60.2-119.8 -80.6 148.1 60.3 31.7 -2.4 79 79 A L H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.848 109.3 54.8 -55.5 -41.5 60.4 35.4 -3.1 80 80 A D H > S+ 0 0 117 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.922 112.5 42.2 -63.1 -44.7 57.7 36.3 -0.6 81 81 A E H > S+ 0 0 83 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.845 113.1 54.4 -66.8 -37.0 59.5 34.7 2.3 82 82 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.917 105.9 52.3 -61.7 -42.5 62.8 36.0 1.1 83 83 A R H X S+ 0 0 103 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.850 107.6 51.3 -65.1 -34.9 61.4 39.6 1.1 84 84 A K H X S+ 0 0 155 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.883 108.4 50.1 -71.0 -35.0 60.2 39.2 4.7 85 85 A I H X S+ 0 0 50 -4,-2.0 4,-2.3 1,-0.2 -47,-0.3 0.902 110.0 55.5 -60.6 -38.8 63.7 38.0 5.7 86 86 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.916 103.0 51.6 -56.4 -48.8 64.7 41.2 3.8 87 87 A D H X S+ 0 0 76 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.874 111.0 49.4 -60.6 -36.6 62.5 43.4 5.9 88 88 A Y H X S+ 0 0 65 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.906 108.1 52.3 -66.3 -43.8 64.0 41.9 9.1 89 89 A N H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.902 106.8 54.5 -59.4 -42.1 67.5 42.5 7.7 90 90 A K H X S+ 0 0 65 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.897 107.8 49.8 -56.0 -45.2 66.6 46.1 7.1 91 91 A K H X S+ 0 0 113 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.918 112.0 47.9 -62.2 -43.3 65.5 46.4 10.8 92 92 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.942 111.5 49.4 -62.4 -44.3 68.8 44.9 11.9 93 93 A F H <>S+ 0 0 0 -4,-3.0 5,-1.8 1,-0.2 -1,-0.2 0.895 111.6 49.2 -64.1 -39.2 70.9 47.2 9.7 94 94 A E H ><5S+ 0 0 94 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.870 108.1 54.4 -64.4 -38.4 68.9 50.1 11.0 95 95 A A H 3<5S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.809 100.5 60.7 -65.9 -28.4 69.6 48.9 14.6 96 96 A M T 3<5S- 0 0 12 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.506 124.1-106.1 -74.9 -5.6 73.4 48.8 13.7 97 97 A G T < 5 + 0 0 39 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.616 65.6 154.6 96.2 13.9 73.1 52.6 13.1 98 98 A L < - 0 0 3 -5,-1.8 2,-0.7 1,-0.0 -1,-0.3 -0.556 33.5-153.8 -77.9 137.7 73.2 52.6 9.3 99 99 A K + 0 0 152 -2,-0.3 -37,-0.4 2,-0.0 2,-0.3 -0.953 44.4 130.8-107.3 108.6 71.6 55.5 7.5 100 100 A A - 0 0 29 -2,-0.7 2,-0.4 -39,-0.1 -37,-0.2 -0.957 59.1-109.2-149.7 164.8 70.7 54.1 4.1 101 101 A K E -d 63 0A 128 -39,-2.6 -37,-3.0 -2,-0.3 2,-0.4 -0.860 34.7-148.3 -94.7 140.0 68.2 53.7 1.4 102 102 A Y E -d 64 0A 20 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.921 15.8-177.3-112.7 133.2 66.9 50.1 1.1 103 103 A V E -d 65 0A 26 -39,-2.5 -37,-3.5 -2,-0.4 2,-0.5 -0.995 22.2-137.2-130.3 137.1 65.8 48.6 -2.2 104 104 A Y E > -d 66 0A 30 -2,-0.4 3,-1.5 -39,-0.2 4,-0.3 -0.802 18.4-137.2 -88.7 128.9 64.3 45.2 -2.9 105 105 A G G >> S+ 0 0 0 -39,-2.6 4,-2.6 -2,-0.5 3,-2.3 0.902 101.3 60.9 -49.3 -46.5 65.9 43.7 -6.0 106 106 A S G 34 S+ 0 0 26 -40,-0.3 4,-0.5 1,-0.3 -1,-0.3 0.710 87.5 77.2 -65.1 -13.8 62.6 42.5 -7.4 107 107 A S G <4 S+ 0 0 73 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.757 121.1 3.2 -58.8 -30.6 61.4 46.1 -7.5 108 108 A F T X4 S+ 0 0 45 -3,-2.3 3,-1.7 -4,-0.3 6,-0.3 0.495 109.8 86.1-133.5 -14.8 63.4 46.7 -10.6 109 109 A Q T 3< S+ 0 0 1 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.1 0.534 90.8 53.6 -78.7 -4.2 65.0 43.5 -11.6 110 110 A L T 3 S+ 0 0 114 -4,-0.5 -1,-0.3 -5,-0.2 2,-0.1 0.291 81.9 120.0-106.6 7.8 62.0 42.3 -13.6 111 111 A D S <> S- 0 0 79 -3,-1.7 4,-2.6 1,-0.1 5,-0.2 -0.423 75.1-117.7 -69.2 146.5 61.9 45.5 -15.6 112 112 A K H > S+ 0 0 176 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 113.5 48.7 -54.9 -43.8 62.2 45.1 -19.4 113 113 A D H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.903 111.7 49.0 -66.6 -39.7 65.4 47.1 -19.6 114 114 A Y H > S+ 0 0 0 -6,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.940 113.0 47.9 -61.6 -49.6 67.0 45.2 -16.8 115 115 A T H X S+ 0 0 41 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.893 107.8 54.8 -59.4 -42.7 66.1 41.9 -18.3 116 116 A L H X S+ 0 0 123 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.893 107.3 51.2 -58.2 -41.6 67.4 43.0 -21.7 117 117 A N H X S+ 0 0 25 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.842 104.4 57.4 -67.2 -32.5 70.7 43.7 -20.1 118 118 A V H X S+ 0 0 9 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.955 110.6 43.5 -56.8 -49.7 70.7 40.3 -18.5 119 119 A Y H X S+ 0 0 158 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.875 112.4 52.1 -67.4 -37.5 70.5 38.7 -22.0 120 120 A R H X S+ 0 0 97 -4,-2.2 4,-0.5 1,-0.2 3,-0.5 0.904 113.1 44.7 -64.2 -43.5 73.0 41.0 -23.5 121 121 A L H >X S+ 0 0 3 -4,-2.3 4,-1.0 1,-0.2 3,-0.6 0.809 105.4 62.7 -71.1 -27.2 75.5 40.1 -20.7 122 122 A A H 3< S+ 0 0 46 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.772 101.5 52.3 -65.0 -29.1 74.6 36.5 -21.1 123 123 A L H 3< S+ 0 0 155 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.724 113.8 43.6 -75.4 -26.6 75.9 36.7 -24.6 124 124 A K H << S+ 0 0 116 -3,-0.6 2,-0.6 -4,-0.5 -2,-0.2 0.480 101.1 76.8 -95.1 -15.4 79.2 38.2 -23.3 125 125 A T S < S- 0 0 17 -4,-1.0 2,-0.1 -3,-0.1 -1,-0.0 -0.921 73.2-137.0-111.4 120.3 79.8 35.9 -20.4 126 126 A T > - 0 0 83 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.431 17.7-126.0 -69.3 150.0 81.1 32.4 -20.8 127 127 A L H > S+ 0 0 124 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.896 112.1 56.3 -57.6 -40.2 79.5 29.7 -18.8 128 128 A K H > S+ 0 0 163 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.935 110.1 43.6 -61.9 -46.6 83.0 28.8 -17.5 129 129 A R H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 113.2 51.4 -68.8 -38.1 83.5 32.3 -16.2 130 130 A A H X S+ 0 0 3 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.941 113.1 44.9 -63.9 -45.8 80.1 32.5 -14.7 131 131 A R H >< S+ 0 0 116 -4,-2.9 3,-0.9 2,-0.2 4,-0.4 0.935 111.6 52.0 -63.3 -48.9 80.5 29.3 -12.9 132 132 A R H >< S+ 0 0 98 -4,-2.8 3,-1.3 1,-0.2 4,-0.3 0.905 107.5 56.1 -50.3 -42.9 84.0 30.2 -11.7 133 133 A S H 3< S+ 0 0 4 -4,-2.3 43,-0.5 1,-0.3 3,-0.3 0.789 107.7 47.3 -63.1 -27.5 82.5 33.5 -10.4 134 134 A M T XX S+ 0 0 0 -4,-1.0 4,-3.0 -3,-0.9 3,-1.7 0.381 76.6 106.3 -97.6 1.3 80.0 31.6 -8.3 135 135 A E T <4 S+ 0 0 136 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.890 90.5 35.1 -52.1 -41.4 82.3 29.1 -6.6 136 136 A L T 34 S+ 0 0 133 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.397 127.3 39.2 -92.7 2.8 82.2 30.9 -3.2 137 137 A I T <4 S+ 0 0 20 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.1 0.710 83.8 100.3-119.8 -39.6 78.6 32.0 -3.5 138 138 A A S < S- 0 0 23 -4,-3.0 3,-0.1 -7,-0.2 -64,-0.1 -0.225 77.8-110.9 -60.2 134.4 76.5 29.3 -5.1 139 139 A R - 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