==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 15-OCT-12 4HK4 . COMPND 2 MOLECULE: TYROSINE--TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR Y.YANG,Q.ZHOU,J.DONG,J.LI,L.XIAOXUAN,A.MUKHERJEE,H.OUYANG,M. . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.4 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 . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 3 0 0 4 1 0 0 1 0 1 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.6 -14.5 -2.7 -42.7 2 2 A D > - 0 0 76 1,-0.0 4,-0.7 4,-0.0 5,-0.0 0.300 360.0 -84.7 -74.7-153.9 -11.4 -4.6 -41.4 3 3 A E H > S+ 0 0 77 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.915 121.0 51.8 -84.5 -48.3 -10.4 -5.3 -37.9 4 4 A F H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.908 112.7 45.1 -55.6 -47.3 -8.6 -2.1 -36.9 5 5 A E H > S+ 0 0 91 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.857 111.5 52.3 -70.1 -35.9 -11.5 0.2 -38.1 6 6 A M H < S+ 0 0 35 -4,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.900 112.6 46.2 -63.9 -41.7 -14.1 -2.0 -36.4 7 7 A I H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.905 111.8 51.1 -66.0 -42.7 -12.2 -1.8 -33.1 8 8 A K H >< S+ 0 0 87 -4,-2.4 3,-1.6 -5,-0.2 -1,-0.2 0.771 83.6 111.7 -68.3 -27.9 -11.6 2.0 -33.5 9 9 A R T 3< S+ 0 0 118 -4,-1.5 3,-0.1 1,-0.3 -3,-0.0 -0.229 88.8 2.5 -54.9 127.8 -15.3 2.7 -34.0 10 10 A N T 3 S+ 0 0 36 1,-0.2 2,-0.3 183,-0.1 -1,-0.3 0.758 98.9 127.5 67.9 28.4 -16.9 4.6 -31.2 11 11 A T < - 0 0 28 -3,-1.6 -1,-0.2 182,-0.2 182,-0.2 -0.842 56.8-143.4-110.4 154.1 -13.8 5.0 -29.1 12 12 A S S S- 0 0 62 180,-2.3 2,-0.3 -2,-0.3 181,-0.2 0.789 77.9 -17.6 -83.5 -30.4 -12.4 8.2 -27.6 13 13 A E E -A 192 0A 37 179,-1.3 179,-2.1 3,-0.0 2,-0.4 -0.977 48.3-143.4-169.5 157.6 -8.7 7.2 -28.2 14 14 A I E > -A 191 0A 12 -2,-0.3 3,-0.6 177,-0.2 2,-0.6 -0.993 25.4-130.8-131.3 126.0 -6.2 4.4 -28.8 15 15 A I E 3 S-A 190 0A 49 175,-3.0 175,-2.8 -2,-0.4 2,-0.0 -0.861 93.7 -4.7-118.3 95.7 -2.8 4.5 -27.2 16 16 A S T 3> - 0 0 36 -2,-0.6 4,-1.6 173,-0.2 -1,-0.4 0.674 61.1-164.1-120.5 170.6 -1.4 4.0 -29.6 17 17 A E H <> S+ 0 0 78 -3,-0.6 4,-1.7 1,-0.2 5,-0.1 0.903 97.9 48.1 -64.1 -43.3 -2.9 3.2 -33.1 18 18 A E H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 108.9 53.8 -62.9 -45.2 0.4 1.9 -34.6 19 19 A E H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 106.9 53.3 -58.3 -34.7 1.0 -0.4 -31.6 20 20 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.889 105.4 53.4 -66.4 -40.1 -2.5 -1.8 -32.1 21 21 A R H X S+ 0 0 107 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.895 108.2 49.8 -62.3 -40.8 -1.7 -2.6 -35.7 22 22 A E H >X S+ 0 0 98 -4,-2.1 4,-0.6 1,-0.2 3,-0.5 0.902 110.4 50.8 -64.1 -41.2 1.4 -4.5 -34.7 23 23 A V H >< S+ 0 0 15 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.896 103.4 59.7 -61.4 -41.6 -0.7 -6.5 -32.1 24 24 A L H 3< S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.783 96.3 61.4 -60.3 -29.1 -3.3 -7.3 -34.8 25 25 A K H << S+ 0 0 139 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.790 84.6 100.7 -69.4 -27.2 -0.7 -9.1 -36.9 26 26 A K S << S- 0 0 87 -3,-1.2 3,-0.1 -4,-0.6 -3,-0.0 -0.214 73.7-136.4 -61.6 147.0 -0.1 -11.6 -34.1 27 27 A D S S+ 0 0 163 1,-0.2 2,-0.5 0, 0.0 -1,-0.1 0.888 95.3 33.4 -69.1 -40.2 -1.6 -15.1 -34.3 28 28 A E S S+ 0 0 150 32,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.977 72.3 155.0-122.1 127.7 -2.5 -14.9 -30.6 29 29 A K E -b 60 0A 18 30,-0.6 32,-2.8 -2,-0.5 2,-0.3 -0.981 21.6-150.0-145.5 155.8 -3.5 -11.7 -28.8 30 30 A S E -b 61 0A 18 -2,-0.3 136,-1.8 30,-0.3 135,-0.9 -0.921 4.6-164.2-130.7 154.3 -5.5 -10.8 -25.7 31 31 A A E -bc 62 166A 0 30,-2.7 32,-2.5 -2,-0.3 2,-0.3 -0.999 11.5-174.7-138.1 132.9 -7.6 -8.0 -24.4 32 32 A E E -bc 63 167A 9 134,-2.1 136,-3.1 -2,-0.4 2,-0.3 -0.886 9.1-172.9-126.4 158.4 -8.8 -7.3 -20.9 33 33 A I E -bc 64 168A 1 30,-1.5 32,-2.9 -2,-0.3 2,-0.4 -0.985 17.5-137.2-143.8 147.0 -11.0 -4.9 -19.0 34 34 A G E -b 65 0A 34 134,-0.6 2,-0.4 -2,-0.3 32,-0.2 -0.907 16.1-174.6-109.6 133.3 -11.6 -4.4 -15.3 35 35 A F E -b 66 0A 10 30,-2.6 32,-1.3 -2,-0.4 36,-0.1 -0.984 22.1-139.7-123.5 121.6 -15.0 -3.8 -13.6 36 36 A E - 0 0 31 -2,-0.4 32,-0.1 30,-0.2 30,-0.1 -0.673 51.1 -93.1 -65.9 125.8 -15.5 -3.0 -10.0 37 37 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 49,-0.2 -0.167 50.2-163.8 -46.5 129.2 -18.5 -5.1 -9.1 38 38 A S - 0 0 19 47,-0.3 51,-0.0 1,-0.1 3,-0.0 -0.958 26.2-138.3-123.7 138.1 -21.7 -3.0 -9.5 39 39 A G S S+ 0 0 43 -2,-0.4 2,-0.5 1,-0.1 -1,-0.1 0.874 97.1 41.5 -60.1 -38.2 -25.2 -3.7 -8.2 40 40 A K S S- 0 0 77 -3,-0.1 2,-0.8 174,-0.0 -1,-0.1 -0.950 71.4-152.7-114.4 129.1 -26.6 -2.5 -11.5 41 41 A I + 0 0 0 -2,-0.5 174,-2.6 3,-0.1 175,-0.4 -0.878 33.5 175.5 -96.0 104.7 -25.1 -3.3 -14.9 42 42 A H B >> -F 214 0B 17 -2,-0.8 4,-2.3 172,-0.3 3,-0.7 -0.328 49.1 -81.4-105.7-175.3 -26.2 -0.3 -17.1 43 43 A L H 3> S+ 0 0 0 170,-1.2 4,-2.7 1,-0.3 5,-0.2 0.757 124.1 65.2 -60.4 -25.9 -25.6 0.9 -20.6 44 44 A G H 3> S+ 0 0 18 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.938 107.7 39.5 -60.0 -48.0 -22.3 2.3 -19.5 45 45 A H H X> S+ 0 0 22 -3,-0.7 4,-2.1 1,-0.2 3,-1.0 0.941 113.8 55.5 -63.5 -49.1 -21.1 -1.2 -18.8 46 46 A Y H 3X S+ 0 0 28 -4,-2.3 4,-2.8 1,-0.3 5,-0.2 0.882 100.4 58.4 -52.7 -45.5 -22.8 -2.5 -21.9 47 47 A L H 3X S+ 0 0 10 -4,-2.7 4,-0.9 1,-0.2 -1,-0.3 0.849 109.6 45.1 -55.4 -35.5 -21.0 -0.0 -24.2 48 48 A Q H <>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.2 3,-0.8 0.897 109.0 56.1 -63.6 -40.7 -12.0 -7.2 -30.1 56 56 A Q H ><5S+ 0 0 54 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.881 107.4 48.7 -58.4 -39.9 -13.2 -10.8 -29.6 57 57 A N H 3<5S+ 0 0 107 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.646 102.5 63.5 -74.5 -16.2 -14.3 -10.9 -33.2 58 58 A A T <<5S- 0 0 0 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.293 131.0 -89.3 -91.3 8.3 -10.9 -9.5 -34.3 59 59 A G T < 5S+ 0 0 41 -3,-1.1 -30,-0.6 1,-0.3 2,-0.3 0.466 81.9 142.3 100.2 4.6 -9.1 -12.6 -32.9 60 60 A F E < -b 29 0A 5 -5,-2.2 2,-0.5 -6,-0.1 -1,-0.3 -0.614 49.6-134.9 -83.0 133.3 -8.6 -11.3 -29.4 61 61 A D E -b 30 0A 96 -32,-2.8 -30,-2.7 -2,-0.3 2,-0.4 -0.759 32.0-139.8 -78.4 129.1 -8.9 -13.7 -26.4 62 62 A I E -b 31 0A 8 -2,-0.5 39,-2.5 37,-0.3 2,-0.4 -0.787 20.8-173.0-103.7 134.2 -10.9 -11.7 -23.9 63 63 A I E -bd 32 101A 13 -32,-2.5 -30,-1.5 -2,-0.4 2,-0.7 -0.986 9.9-156.8-123.0 125.8 -10.4 -11.5 -20.1 64 64 A I E -bd 33 102A 0 37,-3.6 39,-1.9 -2,-0.4 2,-0.8 -0.888 10.2-153.8 -99.2 113.1 -12.8 -9.8 -17.8 65 65 A S E -bd 34 103A 4 -32,-2.9 -30,-2.6 -2,-0.7 2,-1.2 -0.784 2.6-154.1 -87.0 112.8 -11.1 -8.7 -14.6 66 66 A L E -bd 35 104A 0 37,-2.0 2,-2.6 -2,-0.8 39,-1.8 -0.751 12.3-152.3 -86.6 94.9 -13.7 -8.6 -11.8 67 67 A A > + 0 0 6 -32,-1.3 4,-2.1 -2,-1.2 5,-0.1 -0.333 42.5 143.3 -75.2 66.3 -11.9 -6.0 -9.6 68 68 A D H > S+ 0 0 1 -2,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.906 76.1 48.7 -69.0 -42.3 -13.3 -7.1 -6.2 69 69 A L H > S+ 0 0 11 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.871 112.9 49.5 -64.1 -37.8 -10.0 -6.4 -4.4 70 70 A G H > S+ 0 0 3 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.861 108.5 51.5 -69.7 -38.7 -9.9 -3.0 -6.2 71 71 A A H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 6,-0.3 0.907 106.1 56.0 -62.4 -42.3 -13.5 -2.2 -5.1 72 72 A Y H ><5S+ 0 0 111 -4,-2.2 3,-1.1 1,-0.3 5,-0.3 0.882 109.0 46.1 -57.3 -39.7 -12.5 -3.0 -1.5 73 73 A L H 3<5S+ 0 0 30 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.745 107.0 59.1 -74.6 -23.6 -9.7 -0.5 -1.7 74 74 A N T 3<5S- 0 0 14 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.137 122.2-107.8 -91.0 18.5 -12.2 2.0 -3.3 75 75 A Q T < 5S+ 0 0 98 -3,-1.1 -3,-0.2 2,-0.1 -2,-0.1 0.833 71.5 145.3 62.2 37.8 -14.3 1.7 -0.2 76 76 A K < - 0 0 106 -5,-2.3 2,-0.3 1,-0.3 -4,-0.2 0.422 64.8-102.4 -84.5 2.3 -17.1 -0.4 -1.9 77 77 A G - 0 0 26 -5,-0.3 -1,-0.3 -6,-0.3 2,-0.2 -0.856 67.2 -8.5 116.9-151.2 -17.7 -2.3 1.3 78 78 A E > - 0 0 107 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.490 57.7-121.8 -87.8 155.6 -16.6 -5.8 2.5 79 79 A L H > S+ 0 0 55 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.941 109.0 53.9 -59.9 -51.4 -15.0 -8.4 0.3 80 80 A D H > S+ 0 0 96 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.905 113.9 41.9 -52.0 -48.0 -17.7 -11.1 0.8 81 81 A E H > S+ 0 0 102 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.953 115.9 48.8 -64.3 -51.3 -20.5 -8.7 -0.2 82 82 A I H X S+ 0 0 6 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.892 108.6 54.9 -55.0 -42.8 -18.5 -7.3 -3.1 83 83 A R H X S+ 0 0 99 -4,-3.6 4,-1.3 1,-0.2 -1,-0.2 0.842 104.3 54.7 -59.6 -36.6 -17.6 -10.9 -4.2 84 84 A K H X S+ 0 0 126 -4,-1.4 4,-1.5 -3,-0.5 -1,-0.2 0.864 107.8 47.9 -67.9 -37.4 -21.3 -11.7 -4.4 85 85 A I H X S+ 0 0 62 -4,-1.6 4,-2.7 1,-0.2 -47,-0.3 0.788 106.8 58.8 -72.2 -28.1 -22.0 -8.8 -6.7 86 86 A G H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.823 103.2 52.0 -68.0 -32.5 -19.1 -10.0 -8.8 87 87 A D H X S+ 0 0 65 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.913 111.4 47.0 -66.5 -44.2 -20.8 -13.3 -9.2 88 88 A Y H X S+ 0 0 76 -4,-1.5 4,-1.6 1,-0.2 3,-0.3 0.925 109.7 52.6 -63.7 -46.6 -23.9 -11.5 -10.4 89 89 A N H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.836 104.7 57.7 -58.5 -34.6 -22.0 -9.3 -12.8 90 90 A K H X S+ 0 0 74 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.908 106.3 47.3 -63.7 -43.1 -20.4 -12.4 -14.3 91 91 A K H X S+ 0 0 130 -4,-1.4 4,-1.4 -3,-0.3 -1,-0.2 0.809 111.1 52.7 -68.9 -29.4 -23.8 -13.9 -15.2 92 92 A V H X S+ 0 0 0 -4,-1.6 4,-0.6 2,-0.2 -2,-0.2 0.880 109.1 47.7 -73.3 -40.0 -24.9 -10.5 -16.7 93 93 A F H ><>S+ 0 0 0 -4,-2.1 5,-1.1 1,-0.2 3,-0.6 0.862 110.8 53.0 -66.9 -36.1 -21.8 -10.3 -18.9 94 94 A E H ><5S+ 0 0 78 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.848 104.3 55.0 -67.1 -34.5 -22.4 -13.9 -20.0 95 95 A A H 3<5S+ 0 0 5 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.657 94.7 70.6 -71.8 -15.7 -25.9 -13.0 -21.0 96 96 A M T <<5S- 0 0 11 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.423 116.9-110.6 -81.4 0.8 -24.5 -10.3 -23.2 97 97 A G T < 5S+ 0 0 43 -3,-1.3 2,-0.5 1,-0.3 -3,-0.1 0.468 73.8 137.7 85.1 1.7 -23.2 -12.9 -25.6 98 98 A L < - 0 0 5 -5,-1.1 2,-0.6 2,-0.0 -1,-0.3 -0.699 39.4-158.3 -82.0 124.0 -19.6 -12.3 -24.7 99 99 A K + 0 0 176 -2,-0.5 -37,-0.3 -3,-0.1 2,-0.3 -0.917 36.9 124.4-101.3 126.5 -17.4 -15.3 -24.2 100 100 A A - 0 0 24 -2,-0.6 2,-0.3 -39,-0.1 -37,-0.2 -0.956 60.6 -84.7-162.5 173.3 -14.3 -14.7 -22.1 101 101 A K E -d 63 0A 135 -39,-2.5 -37,-3.6 -2,-0.3 2,-0.5 -0.734 35.0-150.2 -89.1 144.9 -12.3 -15.6 -19.1 102 102 A Y E -d 64 0A 36 -2,-0.3 2,-0.5 -39,-0.2 -37,-0.2 -0.967 16.1-179.3-119.6 116.5 -13.4 -14.1 -15.7 103 103 A V E -d 65 0A 22 -39,-1.9 -37,-2.0 -2,-0.5 2,-0.3 -0.964 19.9-139.2-118.7 126.1 -10.7 -13.6 -13.1 104 104 A Y E >> -d 66 0A 23 -2,-0.5 3,-1.5 -39,-0.2 4,-0.6 -0.604 15.5-132.6 -78.4 141.0 -11.3 -12.2 -9.7 105 105 A G H >> S+ 0 0 0 -39,-1.8 4,-2.2 -2,-0.3 3,-0.6 0.872 107.3 55.9 -58.9 -37.7 -8.6 -9.7 -8.4 106 106 A S H 34 S+ 0 0 30 -40,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.483 91.4 75.4 -76.7 -2.9 -8.5 -11.5 -5.1 107 107 A E H <4 S+ 0 0 123 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.900 123.7 0.1 -76.3 -41.6 -7.7 -14.8 -6.8 108 108 A F H X< S+ 0 0 27 -4,-0.6 3,-1.6 -3,-0.6 6,-0.3 0.492 116.4 85.1-119.2 -14.2 -4.1 -14.0 -7.6 109 109 A G T 3< S+ 0 0 1 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.314 91.5 49.0 -78.5 9.3 -4.0 -10.5 -6.0 110 110 A L T 3 S+ 0 0 110 -4,-0.2 -1,-0.3 -5,-0.1 2,-0.1 0.253 84.9 117.1-125.3 5.9 -3.2 -11.9 -2.6 111 111 A D S <> S- 0 0 79 -3,-1.6 4,-2.9 1,-0.1 5,-0.3 -0.405 75.1-115.0 -74.6 152.5 -0.4 -14.2 -3.6 112 112 A K H > S+ 0 0 186 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 114.8 45.3 -53.3 -53.0 3.1 -13.7 -2.3 113 113 A D H > S+ 0 0 92 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.832 114.9 49.8 -64.6 -32.0 4.7 -12.8 -5.6 114 114 A Y H > S+ 0 0 0 -6,-0.3 4,-1.7 2,-0.2 3,-0.4 0.978 111.0 46.4 -68.3 -57.3 1.8 -10.5 -6.5 115 115 A T H X S+ 0 0 40 -4,-2.9 4,-1.7 1,-0.3 -2,-0.2 0.859 111.2 54.4 -54.4 -38.1 1.9 -8.6 -3.2 116 116 A L H X S+ 0 0 126 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.3 0.887 106.1 51.3 -64.4 -39.5 5.6 -8.3 -3.5 117 117 A N H X S+ 0 0 17 -4,-1.5 4,-2.2 -3,-0.4 -1,-0.2 0.795 105.3 58.4 -66.8 -28.2 5.3 -6.8 -7.0 118 118 A V H X S+ 0 0 11 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.932 107.6 44.6 -64.3 -46.6 2.8 -4.3 -5.5 119 119 A Y H X S+ 0 0 145 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.848 111.0 54.0 -68.8 -35.7 5.4 -3.0 -3.0 120 120 A R H >X S+ 0 0 101 -4,-1.9 4,-1.0 2,-0.2 3,-0.8 0.952 111.0 45.4 -61.7 -50.3 8.1 -2.9 -5.7 121 121 A L H 3X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.3 3,-0.4 0.856 107.4 58.6 -60.3 -37.2 5.8 -0.7 -7.9 122 122 A A H 3< S+ 0 0 49 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.757 102.0 55.6 -64.8 -24.5 5.0 1.4 -4.8 123 123 A L H << S+ 0 0 154 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.805 112.1 42.3 -73.0 -31.2 8.7 2.1 -4.6 124 124 A K H < S+ 0 0 125 -4,-1.0 2,-0.5 -3,-0.4 -2,-0.2 0.691 103.4 80.3 -86.7 -21.4 8.7 3.4 -8.1 125 125 A T S < S- 0 0 19 -4,-1.7 2,-0.2 -5,-0.1 28,-0.0 -0.775 70.2-141.3-100.7 127.6 5.4 5.4 -7.8 126 126 A T > - 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