==== 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 17-FEB-06 2G36 . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 323 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 15 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 43.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.1 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 2 2 0 0 2 1 3 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A H 0 0 188 0, 0.0 2,-0.2 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 100.2 9.9 55.8 22.7 2 1 A M - 0 0 67 136,-0.0 33,-3.5 135,-0.0 2,-0.8 -0.646 360.0-118.0-125.0 165.7 11.6 58.1 20.0 3 2 A R E -a 35 0A 51 -2,-0.2 135,-2.6 31,-0.2 136,-1.9 -0.827 42.0-171.1 -92.0 109.6 11.6 60.4 17.0 4 3 A I E -ab 36 139A 0 31,-3.0 33,-2.9 -2,-0.8 2,-0.4 -0.877 7.9-175.7-109.3 137.3 13.7 58.6 14.4 5 4 A L E +a 37 0A 0 134,-2.0 2,-0.3 -2,-0.4 33,-0.2 -0.999 14.2 144.5-133.4 135.7 14.8 60.2 11.1 6 5 A S E -a 38 0A 5 31,-2.0 33,-1.6 -2,-0.4 2,-0.3 -0.980 17.4-168.3-160.5 159.4 16.7 58.6 8.2 7 6 A G E -a 39 0A 4 -2,-0.3 2,-0.4 31,-0.2 33,-0.2 -0.975 9.8-149.5-149.0 161.6 16.9 58.7 4.4 8 7 A M E -a 40 0A 22 31,-1.8 33,-2.9 -2,-0.3 37,-0.1 -0.994 24.1-120.7-133.1 142.5 18.4 57.0 1.3 9 8 A R - 0 0 48 -2,-0.4 2,-1.3 31,-0.2 3,-0.2 -0.611 27.3-123.3 -79.1 132.8 19.5 58.4 -2.0 10 9 A P + 0 0 5 0, 0.0 50,-0.1 0, 0.0 49,-0.1 -0.685 57.2 140.6 -79.8 95.8 17.7 57.0 -5.0 11 10 A T - 0 0 47 -2,-1.3 2,-0.3 1,-0.3 49,-0.1 0.414 66.3 -58.6-113.3 -6.0 20.6 55.7 -7.1 12 11 A G S S- 0 0 7 -3,-0.2 -1,-0.3 47,-0.2 2,-0.1 -0.996 84.0 -12.5 162.9-167.5 18.9 52.4 -8.3 13 12 A K S S- 0 0 78 -2,-0.3 2,-0.2 -3,-0.1 50,-0.1 -0.470 71.8-113.7 -62.4 133.4 17.2 49.1 -7.6 14 13 A L - 0 0 14 -2,-0.1 185,-2.3 48,-0.1 186,-0.5 -0.509 39.0-166.3 -67.4 143.7 17.7 48.2 -3.9 15 14 A H B >> -E 198 0B 22 183,-0.3 4,-1.7 -2,-0.2 3,-1.3 -0.601 39.8 -78.0-124.1-179.3 19.9 45.1 -3.3 16 15 A I H 3> S+ 0 0 0 181,-2.3 4,-2.7 1,-0.3 5,-0.3 0.867 124.9 58.2 -45.3 -46.2 20.7 42.7 -0.5 17 16 A G H 3>>S+ 0 0 24 1,-0.2 4,-0.8 2,-0.2 5,-0.5 0.747 104.0 48.3 -61.3 -30.3 23.1 45.3 1.1 18 17 A H H <4>S+ 0 0 41 -3,-1.3 5,-2.8 3,-0.2 6,-0.3 0.877 115.6 48.2 -75.4 -37.3 20.4 47.9 1.5 19 18 A L H <>S+ 0 0 6 -4,-1.7 5,-2.1 3,-0.2 6,-0.2 0.983 114.7 38.1 -65.9 -61.2 18.2 45.3 3.1 20 19 A V H <5S+ 0 0 4 -4,-2.7 -1,-0.2 3,-0.2 -3,-0.2 0.770 127.9 33.5 -71.2 -23.8 20.4 43.6 5.7 21 20 A G T X5S+ 0 0 19 -4,-0.8 4,-1.4 -5,-0.3 3,-0.2 0.745 132.5 8.1 -87.0 -95.6 22.2 46.8 6.7 22 21 A A H >S+ 0 0 15 -4,-2.8 5,-1.7 1,-0.2 4,-0.3 0.901 113.0 50.7 -66.9 -36.3 13.1 50.8 14.9 30 29 A Q H ><5S+ 0 0 6 -4,-2.1 3,-1.4 -5,-0.2 -2,-0.2 0.945 111.0 47.2 -63.3 -47.7 9.6 51.0 13.4 31 30 A E H 3<5S+ 0 0 98 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.793 101.4 62.9 -70.7 -28.4 8.4 47.8 15.1 32 31 A E T 3<5S- 0 0 121 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.602 121.3-111.3 -70.1 -9.8 9.8 48.8 18.5 33 32 A G T < 5 + 0 0 32 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.2 0.800 63.2 149.1 89.0 33.3 7.3 51.6 18.1 34 33 A N < - 0 0 16 -5,-1.7 2,-1.1 -33,-0.1 -31,-0.2 -0.490 59.7 -97.6 -88.9 163.9 9.3 54.8 17.7 35 34 A E E -a 3 0A 89 -33,-3.5 -31,-3.0 -2,-0.1 2,-0.5 -0.719 51.6-163.3 -80.7 98.9 8.0 57.8 15.6 36 35 A C E -a 4 0A 3 -2,-1.1 42,-3.0 40,-0.5 2,-0.5 -0.758 21.2-173.8 -99.4 127.9 9.8 57.1 12.3 37 36 A F E +ac 5 78A 2 -33,-2.9 -31,-2.0 -2,-0.5 2,-0.4 -0.972 16.4 174.5-111.6 113.5 10.3 59.6 9.5 38 37 A Y E +ac 6 79A 0 40,-2.9 42,-2.1 -2,-0.5 2,-0.3 -0.984 5.3 171.2-125.7 134.6 11.9 57.8 6.5 39 38 A F E -ac 7 80A 0 -33,-1.6 -31,-1.8 -2,-0.4 2,-0.6 -0.927 39.4-111.3-146.3 162.2 12.5 59.5 3.1 40 39 A V E -ac 8 81A 0 40,-2.0 42,-2.5 -2,-0.3 2,-1.8 -0.871 30.6-144.5 -93.4 118.6 14.0 59.3 -0.3 41 40 A A > + 0 0 0 -33,-2.9 4,-1.4 -2,-0.6 3,-0.3 -0.485 36.2 158.7 -83.8 67.3 16.8 61.8 -0.4 42 41 A D H > S+ 0 0 15 -2,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.838 71.3 54.2 -63.9 -32.8 16.4 62.9 -4.1 43 42 A W H > S+ 0 0 61 -3,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.878 106.1 52.6 -68.4 -33.8 18.2 66.2 -3.6 44 43 A H H > S+ 0 0 0 -3,-0.3 4,-0.9 1,-0.2 5,-0.2 0.825 100.5 63.1 -68.1 -27.6 21.2 64.4 -2.2 45 44 A A H >X S+ 0 0 2 -4,-1.4 4,-2.7 1,-0.2 3,-0.9 0.951 101.0 53.1 -59.3 -43.3 21.1 62.3 -5.4 46 45 A L H 3X S+ 0 0 61 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.824 93.1 69.6 -60.8 -35.7 21.7 65.5 -7.3 47 46 A T H 3< S+ 0 0 15 -4,-1.1 -1,-0.2 1,-0.2 71,-0.2 0.887 121.3 16.5 -52.5 -37.2 24.9 66.4 -5.3 48 47 A T H << S+ 0 0 21 -4,-0.9 3,-0.3 -3,-0.9 -2,-0.2 0.740 133.4 43.0-105.4 -29.0 26.7 63.5 -7.0 49 48 A H H >< + 0 0 67 -4,-2.7 3,-1.5 -5,-0.2 -2,-0.2 -0.066 64.5 123.6-112.5 32.6 24.5 62.7 -10.0 50 49 A Y T 3< S+ 0 0 105 -4,-1.0 3,-0.3 1,-0.3 -1,-0.2 0.675 74.9 62.5 -65.3 -15.8 23.7 66.1 -11.3 51 50 A D T 3 S+ 0 0 112 -3,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.659 110.0 36.8 -81.6 -20.2 25.2 64.8 -14.6 52 51 A D < + 0 0 85 -3,-1.5 3,-0.3 1,-0.1 -1,-0.2 -0.689 59.5 142.4-136.5 88.1 22.5 62.0 -15.0 53 52 A V > + 0 0 76 -3,-0.3 3,-2.0 -2,-0.3 4,-0.5 0.439 42.1 106.7 -97.9 -1.9 19.0 63.0 -13.9 54 53 A S T 3 S+ 0 0 97 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.715 92.5 30.2 -55.3 -20.0 17.2 61.1 -16.7 55 54 A K T 3> S+ 0 0 117 -3,-0.3 4,-3.4 2,-0.1 -1,-0.3 0.249 89.8 104.5-123.2 17.8 16.1 58.4 -14.2 56 55 A L H <> S+ 0 0 35 -3,-2.0 4,-2.4 2,-0.2 5,-0.2 0.932 83.3 42.8 -65.6 -56.2 15.8 60.5 -11.0 57 56 A K H > S+ 0 0 170 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.941 118.8 48.1 -56.4 -44.7 12.0 60.8 -10.7 58 57 A E H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.934 112.7 46.1 -65.7 -45.2 11.8 57.1 -11.7 59 58 A Y H X S+ 0 0 60 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.832 108.5 58.6 -65.7 -31.1 14.4 56.0 -9.1 60 59 A T H X S+ 0 0 12 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.944 109.8 42.0 -62.4 -50.2 12.7 58.1 -6.5 61 60 A R H X S+ 0 0 80 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.932 113.1 53.2 -62.4 -47.7 9.4 56.3 -6.9 62 61 A D H X S+ 0 0 64 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.905 104.8 55.9 -57.3 -39.5 11.1 52.9 -7.1 63 62 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.953 109.2 46.2 -61.0 -42.5 13.0 53.6 -3.8 64 63 A V H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.926 109.7 54.0 -65.7 -41.0 9.6 54.2 -2.1 65 64 A R H X S+ 0 0 21 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.931 110.9 48.2 -54.6 -44.9 8.2 51.1 -3.7 66 65 A G H X S+ 0 0 2 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.880 104.8 55.8 -63.0 -43.5 11.2 49.3 -2.2 67 66 A F H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 3,-0.3 0.940 111.0 47.7 -53.0 -48.1 10.8 50.7 1.3 68 67 A L H ><5S+ 0 0 15 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.868 106.9 54.0 -61.1 -43.3 7.3 49.4 1.4 69 68 A A H 3<5S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 213,-0.2 0.805 107.5 54.2 -63.5 -29.0 8.2 45.9 0.1 70 69 A C T 3<5S- 0 0 13 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.361 129.8 -89.2 -88.4 1.8 10.7 45.6 3.0 71 70 A G T < 5S+ 0 0 30 -3,-1.6 2,-0.8 1,-0.3 -3,-0.2 0.451 73.2 147.3 107.4 -2.4 8.2 46.4 5.7 72 71 A I < - 0 0 2 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.617 39.3-154.3 -66.3 111.2 8.3 50.2 6.0 73 72 A D >> - 0 0 51 -2,-0.8 4,-3.1 1,-0.1 3,-1.4 -0.851 18.6-162.1 -99.3 117.0 4.7 50.6 7.0 74 73 A P T 34 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.684 89.2 69.4 -71.6 -18.2 3.0 53.9 6.1 75 74 A E T 34 S+ 0 0 92 1,-0.1 3,-0.1 3,-0.1 -2,-0.0 0.691 121.3 17.4 -71.7 -17.5 0.2 53.2 8.6 76 75 A K T <4 S+ 0 0 110 -3,-1.4 -40,-0.5 1,-0.1 2,-0.3 0.571 123.9 54.2-127.4 -18.9 2.9 53.7 11.3 77 76 A S S < S- 0 0 6 -4,-3.1 2,-0.6 -42,-0.1 -40,-0.2 -0.800 77.8-121.6-111.9 160.0 5.9 55.5 9.7 78 77 A V E -c 37 0A 21 -42,-3.0 -40,-2.9 -2,-0.3 2,-0.5 -0.906 33.1-171.0 -97.8 115.5 5.9 58.8 7.8 79 78 A I E +c 38 0A 2 -2,-0.6 2,-0.3 217,-0.2 -40,-0.2 -0.952 18.2 147.5-114.3 127.4 7.3 58.0 4.4 80 79 A F E -c 39 0A 0 -42,-2.1 -40,-2.0 -2,-0.5 2,-0.5 -0.878 46.2-104.6-150.6 177.4 8.2 60.9 2.1 81 80 A V E > -c 40 0A 12 216,-0.3 3,-1.3 -2,-0.3 4,-0.5 -0.964 24.9-139.8-114.0 127.0 10.3 62.4 -0.7 82 81 A Q G > S+ 0 0 0 -42,-2.5 3,-2.3 -2,-0.5 6,-0.3 0.895 99.7 57.2 -48.4 -52.9 12.8 65.1 0.3 83 82 A S G 3 S+ 0 0 29 -43,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.738 99.3 61.6 -57.8 -24.4 12.1 67.4 -2.7 84 83 A G G < S+ 0 0 18 -3,-1.3 2,-1.0 1,-0.2 -1,-0.3 0.668 91.0 70.0 -74.3 -17.1 8.4 67.6 -1.7 85 84 A V X - 0 0 0 -3,-2.3 3,-2.5 -4,-0.5 4,-0.4 -0.685 63.9-179.9-104.5 81.6 9.3 69.2 1.7 86 85 A K T >> S+ 0 0 135 -2,-1.0 4,-1.3 1,-0.3 3,-1.0 0.739 71.0 77.0 -54.8 -24.8 10.5 72.6 0.4 87 86 A E H 3> S+ 0 0 34 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.755 83.0 65.9 -59.1 -24.5 11.2 73.6 4.0 88 87 A H H <> S+ 0 0 0 -3,-2.5 4,-2.2 -6,-0.3 -1,-0.3 0.884 99.2 51.3 -65.6 -41.0 14.4 71.5 3.9 89 88 A A H <> S+ 0 0 50 -3,-1.0 4,-2.5 -4,-0.4 -1,-0.2 0.940 111.0 48.4 -59.1 -46.8 15.9 73.9 1.3 90 89 A E H X S+ 0 0 53 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.902 112.9 45.6 -62.0 -46.4 15.1 76.9 3.4 91 90 A L H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.908 111.3 54.0 -65.7 -39.5 16.6 75.5 6.7 92 91 A A H X S+ 0 0 13 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.953 110.6 46.3 -57.4 -49.1 19.7 74.3 4.8 93 92 A L H X S+ 0 0 111 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.915 113.5 49.0 -58.7 -48.7 20.2 77.8 3.5 94 93 A L H >< S+ 0 0 19 -4,-2.5 3,-1.0 1,-0.2 4,-0.2 0.916 111.6 48.4 -59.1 -44.4 19.6 79.3 6.9 95 94 A F H >< S+ 0 0 0 -4,-3.4 3,-1.7 1,-0.2 4,-0.4 0.799 100.2 66.9 -66.3 -28.0 22.1 76.8 8.6 96 95 A S H >< S+ 0 0 40 -4,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.771 91.7 63.5 -65.4 -20.8 24.7 77.6 5.9 97 96 A M T << S+ 0 0 132 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.635 107.1 41.4 -78.7 -12.0 24.9 81.1 7.3 98 97 A I T < S+ 0 0 8 -3,-1.7 2,-0.4 -4,-0.2 -1,-0.2 0.314 100.3 79.5-118.1 9.6 26.2 79.8 10.6 99 98 A V S < S- 0 0 25 -3,-0.6 2,-0.1 -4,-0.4 27,-0.0 -0.950 74.8-125.2-120.5 134.2 28.7 77.1 9.5 100 99 A S > - 0 0 51 -2,-0.4 4,-1.3 1,-0.1 5,-0.1 -0.391 12.3-128.1 -80.8 154.4 32.2 77.8 8.2 101 100 A V H >> S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.943 112.1 53.3 -59.2 -48.4 33.6 76.7 4.9 102 101 A S H 3> S+ 0 0 71 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.890 104.1 56.0 -58.1 -40.3 36.6 75.2 6.7 103 102 A R H 34 S+ 0 0 32 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.832 108.9 46.8 -60.8 -35.4 34.3 73.2 9.0 104 103 A L H X< S+ 0 0 7 -4,-1.3 3,-0.9 -3,-0.7 -1,-0.2 0.867 108.8 55.4 -74.2 -34.7 32.7 71.6 5.9 105 104 A E H 3< S+ 0 0 107 -4,-2.2 6,-0.4 1,-0.2 -2,-0.2 0.839 99.8 61.0 -64.7 -32.4 36.1 70.9 4.4 106 105 A R T 3< S+ 0 0 157 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.714 75.4 113.7 -67.4 -23.2 37.1 69.0 7.6 107 106 A V X> - 0 0 5 -3,-0.9 3,-1.3 -4,-0.5 4,-1.0 -0.333 59.7-153.3 -53.7 116.9 34.3 66.5 7.0 108 107 A P H 3> S+ 0 0 58 0, 0.0 4,-1.7 0, 0.0 5,-0.3 0.949 93.6 63.9 -59.6 -46.8 36.1 63.1 6.2 109 108 A T H 34 S+ 0 0 27 2,-0.2 4,-0.5 36,-0.1 -2,-0.1 0.618 104.9 54.6 -50.9 -13.0 33.1 61.9 4.2 110 109 A Y H X4 S+ 0 0 56 -3,-1.3 3,-1.1 2,-0.1 -1,-0.1 0.926 109.2 34.9 -82.1 -83.6 34.0 64.9 1.9 111 110 A K H 3< S+ 0 0 110 -4,-1.0 -2,-0.2 -6,-0.4 -1,-0.1 0.585 118.3 56.6 -52.5 -16.5 37.7 64.6 0.9 112 111 A E T 3< 0 0 91 -4,-1.7 -1,-0.2 0, 0.0 -3,-0.1 0.854 360.0 360.0 -83.9 -41.3 37.4 60.7 0.8 113 112 A I < 0 0 128 -3,-1.1 3,-0.0 -4,-0.5 0, 0.0 -0.426 360.0 360.0 -72.3 360.0 34.5 60.4 -1.8 114 ! 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 0.0 115 120 A D 0 0 120 0, 0.0 3,-0.2 0, 0.0 -65,-0.1 0.000 360.0 360.0 360.0 -84.9 32.4 66.5 -10.8 116 121 A L + 0 0 41 1,-0.2 -3,-0.0 4,-0.0 -68,-0.0 -0.002 360.0 96.1-108.5 27.8 32.4 66.7 -7.0 117 122 A S + 0 0 106 4,-0.1 -1,-0.2 5,-0.0 2,-0.1 0.131 63.1 127.6 -95.7 17.3 34.1 70.1 -6.7 118 123 A T S > S- 0 0 41 -3,-0.2 4,-1.7 -71,-0.2 3,-0.3 -0.386 72.8-127.0 -86.1 151.7 30.7 71.7 -6.4 119 124 A A H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.909 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22.8 -3.4 263 268 A D H > S+ 0 0 79 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.854 113.2 54.6 -62.7 -37.2 25.2 21.6 -0.3 264 269 A C H X S+ 0 0 16 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.898 110.5 45.2 -65.0 -41.4 26.3 24.5 1.7 265 270 A K H X S+ 0 0 16 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.854 103.4 63.2 -72.7 -34.5 25.0 26.9 -0.9 266 271 A K H X S+ 0 0 108 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.920 105.3 49.1 -53.3 -39.3 21.7 24.9 -1.2 267 272 A L H X S+ 0 0 22 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.864 109.1 49.8 -69.3 -40.2 21.2 25.9 2.5 268 273 A L H X S+ 0 0 0 -4,-1.4 4,-3.3 2,-0.2 5,-0.3 0.944 110.4 52.9 -61.1 -43.9 22.0 29.6 1.8 269 274 A L H X S+ 0 0 24 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.938 108.4 48.4 -56.8 -52.1 19.4 29.4 -1.0 270 275 A K H X S+ 0 0 122 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.915 118.4 41.3 -54.5 -46.3 16.7 28.0 1.2 271 276 A N H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.816 115.9 46.5 -74.4 -35.9 17.3 30.7 3.8 272 277 A M H X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 -2,-0.2 0.907 111.5 52.2 -78.2 -31.6 17.8 33.6 1.5 273 278 A K H X S+ 0 0 61 -4,-2.9 4,-2.7 -5,-0.3 -2,-0.2 0.831 105.2 58.7 -64.9 -32.8 14.7 32.6 -0.5 274 279 A R H < S+ 0 0 124 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.894 110.1 41.1 -63.1 -42.1 12.8 32.5 2.9 275 280 A K H X S+ 0 0 39 -4,-1.2 4,-0.7 -3,-0.1 -2,-0.2 0.897 120.5 43.9 -73.8 -37.2 13.7 36.2 3.6 276 281 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.817 95.0 73.7 -80.6 -31.5 13.0 37.3 -0.0 277 282 A A H X S+ 0 0 41 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.881 99.6 46.3 -51.6 -49.4 9.8 35.4 -0.9 278 283 A P H > S+ 0 0 71 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.908 113.0 50.1 -60.6 -41.2 7.6 37.8 1.3 279 284 A I H X S+ 0 0 17 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.896 111.8 48.9 -62.0 -41.8 9.4 40.9 -0.2 280 285 A W H X S+ 0 0 28 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.910 111.1 48.6 -64.6 -43.2 8.7 39.5 -3.7 281 286 A E H >X S+ 0 0 80 -4,-2.4 4,-2.4 -5,-0.2 3,-0.8 0.964 109.8 54.1 -58.8 -51.5 5.0 38.8 -2.9 282 287 A N H 3X S+ 0 0 43 -4,-2.9 4,-2.5 1,-0.3 -2,-0.2 0.840 103.0 55.0 -52.4 -41.4 4.9 42.4 -1.5 283 288 A F H 3X S+ 0 0 13 -4,-2.0 4,-1.6 1,-0.2 -1,-0.3 0.873 111.0 46.9 -60.0 -37.9 6.2 43.9 -4.8 284 289 A R H < S+ 0 0 14 -4,-2.5 3,-0.7 1,-0.2 6,-0.3 0.901 109.3 50.2 -65.6 -43.1 1.9 46.8 -4.3 287 292 A D H 3< S+ 0 0 81 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.790 98.5 65.4 -68.9 -29.2 1.8 46.8 -8.1 288 293 A E H 3< S+ 0 0 151 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.776 100.0 55.4 -68.3 -22.6 -1.8 45.4 -8.4 289 294 A D S X< S- 0 0 87 -3,-0.7 3,-2.1 -4,-0.7 4,-0.4 -0.790 84.6-161.5-104.2 87.3 -3.0 48.6 -6.7 290 295 A P T 3 S+ 0 0 82 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.477 79.9 34.2 -66.2 143.8 -1.6 51.2 -9.1 291 296 A H T 3> S+ 0 0 118 -2,-0.1 4,-3.5 4,-0.0 5,-0.3 0.105 87.4 107.3 93.3 -17.0 -1.6 54.6 -7.3 292 297 A Y H <> S+ 0 0 79 -3,-2.1 4,-2.1 -6,-0.3 5,-0.1 0.923 84.6 41.4 -57.4 -44.7 -0.9 52.8 -4.0 293 298 A V H > S+ 0 0 2 -4,-0.4 4,-2.3 -7,-0.2 -1,-0.2 0.870 115.7 49.5 -70.2 -38.5 2.7 54.1 -4.1 294 299 A D H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.936 111.6 49.4 -64.8 -45.6 1.6 57.6 -5.3 295 300 A D H X S+ 0 0 88 -4,-3.5 4,-2.9 1,-0.2 5,-0.3 0.937 111.8 48.9 -56.9 -48.0 -1.1 57.8 -2.6 296 301 A V H X S+ 0 0 8 -4,-2.1 4,-2.6 -5,-0.3 -217,-0.2 0.887 111.5 49.8 -58.0 -45.1 1.6 56.8 0.0 297 302 A I H X S+ 0 0 24 -4,-2.3 4,-2.3 2,-0.2 -216,-0.3 0.880 114.8 42.3 -61.9 -43.4 4.0 59.4 -1.3 298 303 A M H X S+ 0 0 135 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.921 117.9 45.1 -72.9 -46.5 1.5 62.3 -1.2 299 304 A E H X S+ 0 0 148 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.940 117.2 45.5 -61.3 -47.1 -0.0 61.3 2.1 300 305 A G H X S+ 0 0 10 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.910 114.6 45.9 -64.4 -44.7 3.4 60.8 3.7 301 306 A T H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.830 109.3 56.4 -69.1 -33.6 5.0 63.9 2.3 302 307 A K H X S+ 0 0 85 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.953 110.4 45.9 -60.3 -46.6 1.9 65.9 3.3 303 308 A K H X S+ 0 0 86 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.908 112.3 48.6 -65.2 -44.1 2.5 64.7 6.9 304 309 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.900 110.0 55.7 -61.1 -38.4 6.2 65.4 6.9 305 310 A R H X S+ 0 0 98 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.917 104.1 50.3 -62.1 -44.8 5.4 68.8 5.5 306 311 A E H X S+ 0 0 123 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.880 112.9 46.5 -68.5 -32.4 3.1 69.8 8.3 307 312 A V H X S+ 0 0 25 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.980 114.4 48.8 -66.2 -51.7 5.7 68.7 11.0 308 313 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.877 109.1 52.2 -54.1 -44.5 8.4 70.6 9.1 309 314 A A H X S+ 0 0 30 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.920 105.8 54.5 -61.3 -41.7 6.3 73.7 8.7 310 315 A K H X S+ 0 0 98 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.943 109.7 47.8 -58.9 -44.0 5.6 73.8 12.5 311 316 A T H X S+ 0 0 8 -4,-2.0 4,-2.2 -177,-0.2 -1,-0.2 0.896 108.4 54.6 -63.3 -39.2 9.4 73.7 13.1 312 317 A M H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 5,-0.4 0.876 98.1 62.0 -66.2 -36.6 10.0 76.5 10.6 313 318 A E H X S+ 0 0 111 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.933 110.0 42.7 -51.6 -46.4 7.6 78.8 12.4 314 319 A E H X S+ 0 0 60 -4,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.919 113.8 50.7 -64.8 -48.2 9.9 78.6 15.4 315 320 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.909 112.5 45.5 -57.1 -45.3 13.1 78.9 13.4 316 321 A R H <>S+ 0 0 46 -4,-3.3 5,-2.0 2,-0.2 4,-0.3 0.887 113.7 49.9 -69.2 -36.5 11.9 82.0 11.6 317 322 A R H ><5S+ 0 0 174 -4,-1.8 3,-1.2 -5,-0.4 -2,-0.2 0.947 110.9 50.1 -67.2 -42.5 10.6 83.5 14.8 318 323 A A H 3<5S+ 0 0 25 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.844 113.2 44.6 -63.1 -36.3 14.0 82.8 16.5 319 324 A M T 3<5S- 0 0 35 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.416 109.7-125.4 -90.4 4.2 16.0 84.4 13.7 320 325 A N T < 5 + 0 0 145 -3,-1.2 2,-0.2 -4,-0.3 -3,-0.2 0.788 52.9 158.4 55.2 35.1 13.6 87.3 13.6 321 326 A L < - 0 0 82 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.613 46.0-131.0 -81.1 146.7 12.8 86.9 9.9 322 327 A M 0 0 169 -2,-0.2 -1,-0.1 1,-0.0 -2,-0.1 0.895 360.0 360.0 -63.7 -42.0 9.6 88.4 8.6 323 328 A F 0 0 193 -7,-0.1 -2,-0.1 -3,-0.0 -1,-0.0 -0.768 360.0 360.0-131.6 360.0 8.5 85.3 6.7 324 ! 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 0.0 325 401 A W 0 0 37 0, 0.0 -318,-0.2 0, 0.0 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