==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 02-MAR-09 3A05 . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR W.TSUCHIYA,Z.FUJIMOTO,T.HASEGAWA . 368 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.5 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 0.3 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 . 13 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 2 3 2 2 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 6 A L 0 0 110 0, 0.0 3,-0.1 0, 0.0 319,-0.1 0.000 360.0 360.0 360.0 69.7 -20.3 -7.5 18.1 2 7 A D + 0 0 61 1,-0.1 3,-0.2 317,-0.1 5,-0.1 -0.762 360.0 159.0-107.4 82.1 -23.2 -7.4 15.6 3 8 A P S S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 302,-0.0 0.832 70.7 52.3 -75.8 -28.5 -21.9 -9.9 13.1 4 9 A W S S- 0 0 59 -3,-0.1 -2,-0.0 39,-0.1 312,-0.0 0.634 99.9-135.3 -80.7 -22.9 -25.4 -10.8 11.6 5 10 A G + 0 0 7 -3,-0.2 4,-0.5 1,-0.1 3,-0.5 0.939 38.2 166.9 67.4 54.2 -26.3 -7.1 10.9 6 11 A A >> + 0 0 57 1,-0.2 3,-1.4 2,-0.2 4,-1.2 0.856 67.8 76.8 -59.0 -37.2 -29.9 -6.8 12.1 7 12 A V H 3> S+ 0 0 106 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.819 94.4 43.9 -39.8 -53.4 -29.4 -2.9 11.8 8 13 A E H 3> S+ 0 0 84 -3,-0.5 4,-0.5 2,-0.1 -1,-0.3 0.658 112.7 57.9 -74.3 -19.0 -29.7 -2.7 8.0 9 14 A I H X> S+ 0 0 23 -3,-1.4 4,-1.7 -4,-0.5 3,-1.2 0.984 96.0 55.3 -68.8 -82.0 -32.8 -5.1 8.2 10 15 A K H 3X S+ 0 0 150 -4,-1.2 4,-0.6 1,-0.2 -2,-0.1 0.619 97.3 71.5 -19.3 -40.8 -35.3 -3.3 10.5 11 16 A D H 3< S+ 0 0 120 -4,-0.7 4,-0.4 1,-0.2 3,-0.4 0.944 114.4 16.8 -50.0 -64.3 -35.1 -0.2 8.2 12 17 A Y H 4 S+ 0 0 108 -4,-0.4 3,-1.0 1,-0.2 4,-0.3 0.805 109.5 56.7 -73.0 -33.8 -41.9 -0.7 4.6 16 21 A L G ><>S+ 0 0 18 -4,-2.9 5,-2.0 1,-0.2 3,-1.4 0.723 91.0 73.4 -70.3 -22.9 -42.2 -4.3 3.2 17 22 A R G > 5S+ 0 0 117 -4,-0.4 3,-1.4 -3,-0.3 -1,-0.2 0.755 84.3 69.3 -56.9 -26.5 -44.8 -5.0 5.9 18 23 A T G < 5S+ 0 0 110 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.838 100.0 46.7 -58.9 -33.9 -47.0 -2.8 3.7 19 24 A F G < 5S- 0 0 72 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.274 127.8-101.2 -92.4 8.3 -46.9 -5.8 1.2 20 25 A G T < 5S+ 0 0 33 -3,-1.4 2,-0.5 1,-0.3 32,-0.2 0.615 73.9 148.3 82.4 10.8 -47.6 -8.3 3.9 21 26 A I < - 0 0 0 -5,-2.0 -1,-0.3 30,-0.1 30,-0.2 -0.712 28.4-164.3 -81.6 130.2 -44.0 -9.3 4.2 22 27 A R E -A 50 0A 77 28,-3.3 28,-1.6 -2,-0.5 -8,-0.1 -0.698 29.9 -85.8-114.5 158.4 -43.1 -10.4 7.8 23 28 A P E > -A 49 0A 19 0, 0.0 3,-1.2 0, 0.0 26,-0.3 -0.410 38.3-128.9 -64.1 139.5 -39.8 -10.9 9.7 24 29 A F G > S+ 0 0 10 24,-2.4 3,-1.8 1,-0.2 4,-0.2 0.731 101.4 73.5 -60.7 -27.7 -38.7 -14.4 9.1 25 30 A S G > S+ 0 0 75 23,-0.3 3,-2.7 1,-0.3 -1,-0.2 0.852 79.2 74.5 -59.8 -30.1 -38.3 -15.1 12.9 26 31 A E G < S+ 0 0 95 -3,-1.2 4,-0.3 1,-0.3 -1,-0.3 0.767 94.8 54.1 -55.8 -20.1 -42.1 -15.2 13.2 27 32 A V G <> S+ 0 0 0 -3,-1.8 4,-2.1 -4,-0.2 -1,-0.3 0.519 78.0 96.9 -93.0 -0.4 -41.9 -18.7 11.6 28 33 A L H <> S+ 0 0 66 -3,-2.7 4,-2.5 1,-0.2 5,-0.2 0.909 82.5 49.7 -54.0 -47.7 -39.4 -20.3 14.0 29 34 A P H > S+ 0 0 71 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.919 113.5 48.3 -61.8 -36.4 -41.9 -22.1 16.2 30 35 A L H > S+ 0 0 39 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.871 107.3 55.0 -66.6 -33.8 -43.6 -23.5 13.1 31 36 A L H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 4,-0.2 0.957 109.4 48.6 -62.1 -51.6 -40.2 -24.6 11.7 32 37 A R H ><5S+ 0 0 169 -4,-2.5 3,-2.6 3,-0.2 -2,-0.2 0.957 110.5 48.7 -45.4 -60.2 -39.6 -26.5 14.9 33 38 A K H 3<5S+ 0 0 160 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.844 106.7 57.9 -57.5 -31.8 -43.0 -28.2 14.8 34 39 A A T 3<5S- 0 0 15 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.524 121.4-111.5 -74.1 -1.0 -42.4 -29.1 11.1 35 40 A G T < 5S+ 0 0 62 -3,-2.6 2,-0.4 1,-0.3 -3,-0.2 0.866 76.2 126.4 75.9 36.8 -39.2 -30.9 12.3 36 41 A M < - 0 0 3 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.1 -0.970 49.4-149.0-132.2 138.1 -36.8 -28.5 10.7 37 42 A E - 0 0 130 -2,-0.4 -9,-0.0 -3,-0.1 0, 0.0 -0.849 40.0 -95.6-101.4 147.2 -33.9 -26.6 12.2 38 43 A P - 0 0 34 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.267 37.6-122.2 -64.3 149.7 -33.1 -23.2 10.6 39 44 A S > - 0 0 16 1,-0.1 4,-3.0 -3,-0.0 3,-0.4 -0.384 30.1-104.0 -81.0 167.4 -30.4 -23.2 7.9 40 45 A F H > S+ 0 0 42 1,-0.3 4,-2.3 2,-0.2 6,-0.3 0.857 123.3 59.2 -67.8 -27.5 -27.4 -20.9 8.5 41 46 A L H 4>S+ 0 0 7 2,-0.2 5,-1.9 1,-0.2 6,-1.8 0.890 109.8 44.6 -63.4 -36.6 -28.8 -18.4 5.9 42 47 A M H >45S+ 0 0 19 -3,-0.4 3,-2.0 4,-0.2 -2,-0.2 0.952 111.1 52.3 -69.5 -49.5 -31.8 -18.2 8.2 43 48 A R H 3<5S+ 0 0 109 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.886 109.3 50.8 -53.7 -37.4 -29.8 -18.0 11.4 44 49 A R T 3<5S- 0 0 1 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.464 113.2-114.9 -86.6 2.3 -27.7 -15.1 10.0 45 50 A G T < 5S+ 0 0 16 -3,-2.0 -3,-0.2 2,-0.2 197,-0.1 0.636 83.5 122.3 79.4 12.5 -30.7 -13.0 9.0 46 51 A I S S+ 0 0 35 -2,-0.4 4,-1.2 -32,-0.2 185,-0.2 0.591 88.7 127.9 69.1 12.8 -47.4 -17.1 4.1 53 58 A F H > + 0 0 1 185,-0.3 4,-2.7 1,-0.2 5,-0.2 0.846 69.5 64.0 -71.5 -27.0 -44.5 -19.5 4.8 54 59 A D H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.953 100.0 50.8 -50.6 -47.6 -46.3 -20.3 8.1 55 60 A K H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.851 110.3 51.1 -63.5 -37.1 -49.2 -21.6 6.0 56 61 A I H X S+ 0 0 1 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.935 111.0 45.3 -61.8 -49.5 -46.7 -23.8 4.1 57 62 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.859 109.3 56.5 -67.8 -33.6 -45.1 -25.2 7.3 58 63 A E H X S+ 0 0 84 -4,-2.6 4,-1.5 -5,-0.2 6,-0.2 0.957 109.7 46.7 -60.6 -47.0 -48.6 -25.9 8.8 59 64 A A H ><>S+ 0 0 0 -4,-1.9 5,-2.3 1,-0.2 3,-0.9 0.966 113.5 48.2 -58.1 -47.9 -49.5 -28.0 5.8 60 65 A K H ><5S+ 0 0 45 -4,-2.4 3,-2.2 1,-0.3 -1,-0.2 0.909 106.0 58.2 -61.8 -43.0 -46.2 -29.7 6.0 61 66 A A H 3<5S+ 0 0 54 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.782 103.7 51.6 -55.7 -29.9 -46.6 -30.4 9.7 62 67 A R T <<5S- 0 0 167 -4,-1.5 -1,-0.3 -3,-0.9 -2,-0.2 0.275 129.2 -95.3 -95.7 12.7 -49.9 -32.3 9.1 63 68 A G T < 5S+ 0 0 66 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.598 74.8 145.4 92.9 14.2 -48.1 -34.5 6.5 64 69 A E < - 0 0 78 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.634 56.1-115.4 -79.6 142.7 -49.0 -32.7 3.3 65 70 A R - 0 0 107 -2,-0.2 139,-0.3 32,-0.1 2,-0.2 -0.749 40.0-163.6 -75.4 119.0 -46.1 -32.8 0.6 66 71 A V - 0 0 1 -2,-0.6 32,-2.6 30,-0.2 2,-0.3 -0.649 0.8-145.6-101.6 164.6 -45.1 -29.1 0.2 67 72 A A E -cd 98 205A 0 137,-2.1 139,-2.1 30,-0.2 2,-0.4 -0.917 13.3-157.1-133.5 158.0 -43.1 -27.6 -2.7 68 73 A V E -cd 99 206A 0 30,-3.1 32,-2.2 -2,-0.3 2,-0.3 -0.970 19.0-179.4-129.8 146.5 -40.5 -25.0 -3.6 69 74 A L E +c 100 0A 0 137,-1.8 2,-0.3 -2,-0.4 32,-0.2 -0.990 11.8 153.3-142.9 141.9 -40.1 -23.5 -7.0 70 75 A T E -c 101 0A 7 30,-1.4 32,-2.7 -2,-0.3 2,-0.3 -0.935 25.1-141.1-150.1 172.5 -37.8 -21.0 -8.6 71 76 A G E -c 102 0A 7 -2,-0.3 2,-0.4 30,-0.2 32,-0.2 -0.967 4.7-141.9-135.0 170.1 -36.6 -20.5 -12.2 72 77 A F E -c 103 0A 12 30,-3.0 32,-2.6 -2,-0.3 55,-0.0 -0.984 16.2-129.5-132.0 136.8 -33.4 -19.5 -14.0 73 78 A M - 0 0 18 296,-0.5 2,-2.1 -2,-0.4 32,-0.1 -0.739 27.2-136.9 -69.2 112.6 -32.6 -17.4 -17.1 74 79 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 49,-0.2 -0.478 64.7 113.9 -80.6 73.5 -30.3 -19.7 -19.2 75 80 A S - 0 0 38 -2,-2.1 179,-0.1 47,-0.1 -2,-0.1 -0.997 68.9 -10.9-138.8 133.7 -27.9 -16.9 -20.1 76 81 A G S S- 0 0 34 -2,-0.3 2,-0.2 178,-0.1 179,-0.0 -0.077 98.9 -37.3 71.1-170.1 -24.2 -16.4 -19.1 77 82 A K - 0 0 89 1,-0.1 2,-0.4 -3,-0.1 177,-0.1 -0.581 57.4-102.6-102.1 157.7 -22.5 -18.5 -16.4 78 83 A F + 0 0 0 -2,-0.2 185,-2.6 48,-0.2 186,-0.4 -0.579 50.7 176.0 -73.5 126.0 -23.6 -19.9 -13.1 79 84 A H B > -G 262 0B 14 -2,-0.4 4,-2.0 183,-0.2 183,-0.2 -0.507 48.3 -85.5-126.1-176.6 -22.3 -17.7 -10.3 80 85 A F H > S+ 0 0 0 181,-1.0 4,-1.7 2,-0.2 5,-0.1 0.723 122.9 63.1 -72.2 -20.9 -22.5 -17.4 -6.5 81 86 A G H > S+ 0 0 23 2,-0.2 4,-1.1 1,-0.2 3,-0.4 0.979 109.0 41.3 -58.6 -50.8 -25.7 -15.3 -6.9 82 87 A H H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.862 109.3 60.0 -63.1 -38.3 -27.3 -18.4 -8.4 83 88 A K H X S+ 0 0 13 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.849 98.0 58.2 -62.1 -39.7 -25.6 -20.6 -5.8 84 89 A L H X S+ 0 0 4 -4,-1.7 4,-1.3 -3,-0.4 -1,-0.2 0.908 108.8 46.2 -58.7 -43.2 -27.4 -18.7 -2.9 85 90 A T H X S+ 0 0 20 -4,-1.1 4,-1.7 -3,-0.2 3,-0.4 0.951 113.0 48.8 -59.9 -51.2 -30.8 -19.6 -4.5 86 91 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.824 105.3 57.0 -59.7 -38.5 -29.8 -23.2 -5.1 87 92 A D H X S+ 0 0 34 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.841 105.4 51.7 -61.5 -37.9 -28.5 -23.7 -1.5 88 93 A Q H X S+ 0 0 9 -4,-1.3 4,-2.1 -3,-0.4 -2,-0.2 0.918 110.6 49.9 -62.9 -37.9 -32.0 -22.6 -0.3 89 94 A L H X S+ 0 0 0 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.903 111.0 48.9 -62.1 -42.5 -33.5 -25.3 -2.6 90 95 A I H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.929 109.2 51.0 -69.4 -42.4 -31.1 -27.9 -1.3 91 96 A Y H X S+ 0 0 37 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.966 114.0 44.9 -58.0 -43.8 -31.9 -27.1 2.3 92 97 A L H ><>S+ 0 0 10 -4,-2.1 5,-2.2 1,-0.2 3,-0.6 0.935 111.0 53.8 -69.3 -38.3 -35.7 -27.4 1.6 93 98 A Q H ><5S+ 0 0 25 -4,-3.2 3,-1.7 1,-0.3 -1,-0.2 0.891 105.8 52.2 -63.8 -37.8 -35.2 -30.6 -0.4 94 99 A K H 3<5S+ 0 0 172 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.776 106.6 55.8 -66.7 -26.8 -33.4 -32.2 2.5 95 100 A N T <<5S- 0 0 43 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.215 131.5 -90.9 -91.1 19.2 -36.3 -31.2 4.7 96 101 A G T < 5S+ 0 0 30 -3,-1.7 -30,-0.2 1,-0.3 -3,-0.2 0.395 77.3 143.8 95.3 -3.5 -38.8 -33.0 2.4 97 102 A F < - 0 0 0 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.473 51.2-125.2 -67.8 139.0 -39.8 -30.2 0.0 98 103 A K E -c 67 0A 22 -32,-2.6 -30,-3.1 -2,-0.1 2,-0.5 -0.709 30.5-145.8 -76.0 134.0 -40.5 -31.1 -3.6 99 104 A V E -c 68 0A 0 41,-0.4 43,-2.3 -2,-0.4 2,-0.4 -0.871 18.0-174.5-111.3 133.3 -38.3 -28.9 -5.7 100 105 A F E -ce 69 142A 0 -32,-2.2 -30,-1.4 -2,-0.5 2,-0.5 -0.987 2.8-169.7-118.4 136.7 -39.3 -27.5 -9.1 101 106 A V E -ce 70 143A 0 41,-2.4 43,-1.6 -2,-0.4 2,-0.4 -0.967 8.8-154.8-125.6 121.9 -36.8 -25.6 -11.2 102 107 A A E -ce 71 144A 0 -32,-2.7 -30,-3.0 -2,-0.5 2,-0.6 -0.751 6.5-146.7 -90.5 136.5 -38.0 -23.8 -14.2 103 108 A I E -ce 72 145A 1 41,-2.9 43,-2.4 -2,-0.4 2,-1.6 -0.921 11.9-147.1 -95.8 119.4 -35.7 -23.0 -17.2 104 109 A A > + 0 0 0 -32,-2.6 4,-2.2 -2,-0.6 5,-0.1 -0.275 47.6 139.7 -83.8 53.2 -36.9 -19.7 -18.7 105 110 A D H > + 0 0 0 -2,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.743 67.9 56.4 -73.2 -25.0 -36.0 -20.5 -22.2 106 111 A A H > S+ 0 0 29 -3,-0.4 4,-2.9 2,-0.2 5,-0.4 0.939 112.3 43.2 -67.4 -46.0 -39.2 -18.9 -23.7 107 112 A E H >>S+ 0 0 17 2,-0.2 4,-2.4 3,-0.2 5,-1.7 0.921 110.8 56.8 -63.8 -40.2 -38.2 -15.6 -22.0 108 113 A A H <5S+ 0 0 0 -4,-2.2 6,-2.6 3,-0.2 4,-0.2 0.957 115.0 38.0 -51.3 -49.9 -34.5 -16.1 -23.1 109 114 A F H X5S+ 0 0 114 -4,-2.3 4,-0.8 4,-0.3 -2,-0.2 0.961 124.8 35.3 -65.8 -52.9 -35.6 -16.3 -26.7 110 115 A A H <5S+ 0 0 49 -4,-2.9 69,-0.2 -5,-0.2 -3,-0.2 0.876 131.1 24.3 -84.2 -39.9 -38.3 -13.7 -26.8 111 116 A V T <5S+ 0 0 38 -4,-2.4 -3,-0.2 -5,-0.4 -1,-0.1 0.884 133.7 32.1 -88.8 -47.6 -37.1 -11.0 -24.4 112 117 A R T 4 - 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0 0 77 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.671 25.2-116.0 -98.9 159.3 -54.5 -5.1 -17.3 166 171 A A H > S+ 0 0 58 -2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.922 118.1 54.5 -51.0 -42.6 -51.8 -3.4 -19.5 167 172 A A H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 104.4 50.9 -66.1 -42.8 -51.5 -0.8 -16.6 168 173 A E H > S+ 0 0 57 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.925 116.6 42.3 -59.5 -41.4 -50.9 -3.5 -13.9 169 174 A M H >X S+ 0 0 10 -4,-1.9 4,-1.7 1,-0.2 3,-0.7 0.925 109.0 56.8 -72.0 -42.4 -48.2 -4.9 -16.1 170 175 A E H 3X S+ 0 0 73 -4,-3.5 4,-2.6 1,-0.2 -2,-0.2 0.885 103.1 58.5 -50.1 -39.1 -46.8 -1.5 -17.0 171 176 A A H 3< S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 112.1 38.1 -57.5 -39.0 -46.3 -0.9 -13.3 172 177 A I H << S+ 0 0 53 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.765 132.8 20.5 -86.0 -29.7 -44.1 -3.9 -12.8 173 178 A Y H < S- 0 0 69 -4,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.539 90.3-136.1-124.3 -20.5 -42.0 -3.8 -16.0 174 179 A G S < S+ 0 0 32 -4,-2.6 2,-0.4 -5,-0.4 -1,-0.3 -0.788 79.5 19.3 92.1-133.5 -42.3 -0.2 -17.4 175 180 A E S S- 0 0 154 -2,-0.4 2,-0.6 -4,-0.1 -4,-0.0 -0.652 88.4-140.1 -78.9 133.1 -42.8 -0.0 -21.1 176 181 A L - 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