==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 19-JUL-12 4G6Z . COMPND 2 MOLECULE: GLUTAMATE-TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 381 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 6.3 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 . 3 0.8 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 . 1 0.3 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 . 16 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 0 0 2 2 2 2 1 1 0 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 4 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 3 A R 0 0 190 0, 0.0 180,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.0 5.2 35.7 23.5 2 4 A P - 0 0 98 0, 0.0 2,-0.2 0, 0.0 33,-0.1 -0.205 360.0-106.4 -63.3 148.2 6.3 35.3 27.1 3 5 A V - 0 0 17 30,-0.4 33,-2.8 27,-0.1 2,-0.4 -0.506 31.0-172.0 -73.5 137.5 9.9 36.4 28.0 4 6 A R E +a 36 0A 56 31,-0.2 177,-2.6 -2,-0.2 178,-1.5 -0.951 13.5 168.4-134.0 110.5 12.6 33.8 28.7 5 7 A T E -a 37 0A 1 31,-2.7 33,-2.4 -2,-0.4 2,-0.3 -0.657 12.3-157.5-112.5 171.7 15.9 35.1 30.0 6 8 A R E -a 38 0A 2 176,-0.4 2,-0.4 -2,-0.2 178,-0.3 -0.981 21.3-146.7-149.2 162.3 19.0 33.3 31.5 7 9 A F E +a 39 0A 12 31,-2.1 33,-2.4 -2,-0.3 16,-0.1 -0.995 22.8 179.5-125.0 124.3 22.0 33.6 33.7 8 10 A A - 0 0 1 -2,-0.4 33,-0.2 31,-0.2 31,-0.1 -0.517 8.3-177.2-130.9 61.9 24.8 31.3 32.3 9 11 A P - 0 0 8 0, 0.0 33,-2.5 0, 0.0 -2,-0.1 -0.307 26.0-135.8 -65.5 139.3 27.9 31.7 34.5 10 12 A S - 0 0 42 374,-2.0 2,-1.8 31,-0.2 33,-0.1 -0.832 28.1-130.1 -82.2 124.4 31.1 29.9 33.9 11 13 A P + 0 0 1 0, 0.0 39,-0.6 0, 0.0 42,-0.2 -0.456 47.4 153.0 -87.5 79.8 32.1 28.7 37.4 12 14 A T - 0 0 98 -2,-1.8 37,-0.1 2,-0.2 3,-0.1 0.405 66.2 -98.8 -89.5 4.0 35.7 29.9 37.6 13 15 A G S S+ 0 0 52 37,-0.1 2,-0.3 -3,-0.1 36,-0.1 0.340 94.3 70.6 104.0 -5.9 35.8 30.1 41.5 14 16 A F - 0 0 54 218,-0.0 2,-0.4 2,-0.0 -2,-0.2 -0.978 49.8-173.1-148.6 134.4 35.2 33.9 42.2 15 17 A I - 0 0 25 -2,-0.3 218,-2.3 -4,-0.1 219,-0.2 -0.993 8.2-179.4-129.7 124.1 32.2 36.2 41.8 16 18 A H B > -C 232 0B 23 -2,-0.4 4,-2.2 216,-0.3 5,-0.3 -0.526 49.1 -86.2-108.5-177.6 32.3 39.9 42.3 17 19 A L H > S+ 0 0 1 214,-0.5 4,-2.0 1,-0.2 5,-0.1 0.877 127.2 55.5 -56.0 -41.7 29.5 42.6 42.1 18 20 A G H > S+ 0 0 13 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.897 109.4 47.5 -56.0 -44.1 30.0 42.9 38.3 19 21 A N H >4 S+ 0 0 57 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.936 112.9 45.6 -65.2 -49.3 29.4 39.2 37.9 20 22 A I H >X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.3 3,-1.5 0.782 102.1 66.7 -73.9 -24.5 26.3 39.0 40.0 21 23 A R H 3X S+ 0 0 11 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.3 0.864 93.0 61.5 -58.1 -31.8 24.9 42.1 38.3 22 24 A S H << S+ 0 0 24 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.616 108.2 43.3 -74.5 -7.9 24.7 39.9 35.1 23 25 A A H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.3 -2,-0.2 0.775 109.6 57.2 -90.7 -41.9 22.3 37.6 37.1 24 26 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.886 104.5 50.1 -58.0 -45.6 20.3 40.6 38.6 25 27 A Y H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.938 112.9 42.2 -69.3 -47.1 19.3 42.1 35.3 26 28 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.853 115.6 52.4 -65.4 -31.7 18.0 39.1 33.5 27 29 A W H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.968 112.5 44.9 -61.9 -52.2 16.2 38.0 36.7 28 30 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.877 111.7 51.6 -61.0 -41.4 14.6 41.5 36.9 29 31 A F H X S+ 0 0 11 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.960 112.0 46.8 -64.2 -47.7 13.6 41.5 33.3 30 32 A A H <>S+ 0 0 0 -4,-2.4 5,-3.3 2,-0.2 -2,-0.2 0.944 114.6 46.3 -52.8 -53.2 11.9 38.1 33.5 31 33 A R H ><5S+ 0 0 52 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.919 111.6 52.7 -60.9 -41.6 10.1 39.1 36.8 32 34 A K H 3<5S+ 0 0 52 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.908 115.1 40.4 -59.5 -41.8 9.0 42.4 35.2 33 35 A M T 3<5S- 0 0 86 -4,-2.2 -30,-0.4 -5,-0.2 -1,-0.3 0.236 112.4-116.6 -93.1 14.8 7.5 40.7 32.1 34 36 A K T < 5S+ 0 0 177 -3,-1.4 -3,-0.2 -4,-0.2 -4,-0.1 0.903 75.4 128.2 48.0 45.8 6.0 37.9 34.1 35 37 A G < - 0 0 12 -5,-3.3 2,-0.4 -6,-0.2 -31,-0.2 -0.153 60.5 -75.0-110.7-153.5 8.4 35.5 32.2 36 38 A T E -a 4 0A 33 -33,-2.8 -31,-2.7 -2,-0.1 2,-0.5 -0.928 25.2-157.7-119.2 135.9 10.9 32.8 33.0 37 39 A F E -a 5 0A 0 -2,-0.4 32,-2.7 -33,-0.2 33,-1.2 -0.957 16.5-162.1-112.5 119.3 14.4 33.0 34.3 38 40 A V E -ab 6 70A 0 -33,-2.4 -31,-2.1 -2,-0.5 2,-0.5 -0.812 8.3-147.8-105.2 137.7 16.7 30.0 33.5 39 41 A L E +a 7 0A 0 31,-2.5 34,-2.1 -2,-0.4 2,-0.4 -0.930 19.4 177.1-105.9 125.9 19.9 29.1 35.3 40 42 A R E - b 0 73A 0 -33,-2.4 2,-0.6 -2,-0.5 34,-0.2 -0.950 19.9-146.7-123.6 139.0 22.6 27.4 33.2 41 43 A I E - b 0 74A 0 32,-2.6 34,-2.5 -2,-0.4 2,-1.4 -0.950 6.8-153.3-107.3 119.2 26.1 26.4 34.4 42 44 A E + 0 0 5 -33,-2.5 3,-0.3 -2,-0.6 32,-0.1 -0.609 35.9 149.5 -92.2 79.9 28.7 26.6 31.7 43 45 A D + 0 0 24 -2,-1.4 -1,-0.1 1,-0.2 6,-0.1 0.117 24.0 117.3-100.8 22.8 31.2 24.0 33.0 44 46 A T + 0 0 36 1,-0.2 2,-1.2 2,-0.1 -1,-0.2 0.701 64.1 73.6 -72.8 -13.8 32.8 22.7 29.8 45 47 A D > + 0 0 96 -3,-0.3 3,-1.2 1,-0.2 -1,-0.2 -0.718 65.2 179.9 -92.1 83.4 36.3 23.9 30.8 46 48 A V G > S+ 0 0 102 -2,-1.2 3,-0.9 1,-0.3 -1,-0.2 0.792 77.0 60.7 -58.7 -30.2 36.8 21.2 33.5 47 49 A E G 3 S+ 0 0 102 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.856 113.7 34.3 -61.1 -39.8 40.2 22.7 34.2 48 50 A R G < S+ 0 0 43 -3,-1.2 2,-0.3 -5,-0.0 -1,-0.2 0.044 110.2 77.8-108.2 24.3 38.6 26.1 35.2 49 51 A S < + 0 0 26 -3,-0.9 2,-0.3 -6,-0.1 -37,-0.1 -0.949 48.9 165.8-131.9 151.9 35.4 24.7 36.8 50 52 A S > - 0 0 53 -39,-0.6 4,-1.8 -2,-0.3 -37,-0.1 -0.985 45.9-114.8-158.8 159.6 34.5 23.1 40.2 51 53 A Q H > S+ 0 0 99 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.857 116.2 57.8 -62.3 -38.2 31.5 22.1 42.4 52 54 A E H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.938 105.1 50.7 -58.1 -48.5 32.7 24.6 45.0 53 55 A A H > S+ 0 0 6 1,-0.2 4,-1.9 -42,-0.2 -1,-0.2 0.919 110.1 50.6 -55.4 -44.2 32.5 27.4 42.4 54 56 A V H X S+ 0 0 3 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.943 109.2 49.2 -61.1 -48.5 28.9 26.2 41.6 55 57 A D H X S+ 0 0 83 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.866 108.8 54.4 -63.3 -33.6 27.7 26.3 45.2 56 58 A A H X S+ 0 0 38 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.881 108.1 49.1 -68.2 -36.0 29.2 29.7 45.6 57 59 A I H X S+ 0 0 7 -4,-1.9 4,-2.6 -3,-0.2 5,-0.2 0.942 112.8 47.0 -62.6 -48.6 27.2 31.0 42.6 58 60 A L H X S+ 0 0 43 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.861 112.3 51.1 -62.5 -35.8 24.0 29.4 44.1 59 61 A E H X S+ 0 0 94 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.909 111.6 45.5 -68.7 -43.6 24.8 30.9 47.5 60 62 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 6,-0.2 0.930 113.2 50.5 -66.1 -45.3 25.3 34.5 46.2 61 63 A M H <>S+ 0 0 2 -4,-2.6 5,-2.7 2,-0.2 4,-0.2 0.921 113.3 46.1 -55.8 -46.5 22.1 34.2 44.0 62 64 A A H ><5S+ 0 0 75 -4,-2.1 3,-1.6 -5,-0.2 -2,-0.2 0.917 107.3 57.3 -67.0 -40.7 20.1 33.0 47.0 63 65 A W H 3<5S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.859 112.0 42.7 -55.0 -36.4 21.6 35.8 49.3 64 66 A L T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.350 116.0-112.6 -95.2 6.0 20.3 38.4 46.9 65 67 A G T < 5 + 0 0 25 -3,-1.6 2,-1.7 -4,-0.2 -3,-0.2 0.727 61.9 152.8 74.4 22.4 16.9 36.7 46.3 66 68 A L < - 0 0 3 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.1 -0.561 22.8-176.5 -88.1 74.9 17.6 35.8 42.6 67 69 A D - 0 0 76 -2,-1.7 2,-0.3 -3,-0.1 -30,-0.1 -0.457 11.8-146.3 -73.2 144.2 15.3 32.8 42.4 68 70 A Y - 0 0 82 -2,-0.1 -30,-0.2 1,-0.1 3,-0.1 -0.867 11.1-152.0-119.4 147.3 15.3 30.9 39.1 69 71 A D S S+ 0 0 80 -32,-2.7 2,-0.3 -2,-0.3 -31,-0.2 0.790 80.2 24.5 -89.2 -33.3 12.4 29.1 37.5 70 72 A E E S-b 38 0A 52 -33,-1.2 -31,-2.5 3,-0.0 -1,-0.2 -0.962 94.7 -23.9-133.5 151.9 14.3 26.4 35.5 71 73 A G E - 0 0 30 -2,-0.3 -31,-0.1 1,-0.3 2,-0.1 -0.494 24.0-138.3 102.5-170.5 17.7 24.8 36.1 72 74 A P E - 0 0 39 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 0.334 50.5-176.6 -72.1 129.3 20.4 24.5 37.0 73 75 A Y E -b 40 0A 86 -34,-2.1 -32,-2.6 -3,-0.2 2,-0.5 -0.910 12.7-151.4 -97.4 117.6 21.2 23.0 33.6 74 76 A Y E > -b 41 0A 56 -2,-0.6 3,-1.6 -34,-0.2 4,-0.2 -0.775 9.8-148.3 -93.6 127.7 24.8 21.9 33.4 75 77 A Q G > S+ 0 0 0 -34,-2.5 3,-2.1 -2,-0.5 -1,-0.1 0.875 99.2 60.1 -60.0 -36.2 26.4 21.9 29.9 76 78 A M G 3 S+ 0 0 64 -35,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.697 103.0 53.0 -66.6 -18.2 28.6 18.9 30.9 77 79 A Q G < S+ 0 0 154 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.361 101.7 62.0 -92.2 5.6 25.4 16.9 31.5 78 80 A R <> + 0 0 46 -3,-2.1 4,-2.5 -4,-0.2 5,-0.2 0.218 63.7 114.1-116.8 15.9 24.1 17.8 28.0 79 81 A M H > S+ 0 0 28 -3,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.795 74.5 54.5 -61.1 -35.1 26.8 16.2 25.9 80 82 A D H > S+ 0 0 141 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 109.9 48.7 -63.0 -44.7 24.4 13.6 24.4 81 83 A R H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.943 111.3 48.8 -57.9 -48.6 22.1 16.4 23.2 82 84 A Y H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.907 111.6 49.5 -59.5 -45.9 25.0 18.4 21.7 83 85 A R H X S+ 0 0 100 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.872 109.0 52.8 -57.6 -41.5 26.3 15.2 19.9 84 86 A E H X S+ 0 0 102 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.929 109.4 48.2 -62.3 -46.3 22.7 14.6 18.5 85 87 A V H X S+ 0 0 5 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.919 109.3 54.0 -62.2 -40.4 22.5 18.1 17.1 86 88 A L H X S+ 0 0 9 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.891 107.9 49.9 -60.7 -40.9 26.0 17.7 15.5 87 89 A A H X S+ 0 0 58 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.900 110.8 49.3 -62.1 -43.8 24.9 14.5 13.7 88 90 A Q H X S+ 0 0 95 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.932 111.8 49.6 -60.6 -42.4 21.7 16.2 12.4 89 91 A M H <>S+ 0 0 3 -4,-2.8 5,-2.6 1,-0.2 6,-0.9 0.877 109.8 50.1 -64.8 -38.0 23.9 19.1 11.2 90 92 A Q H ><5S+ 0 0 89 -4,-2.2 3,-1.2 3,-0.2 -1,-0.2 0.927 110.3 49.7 -67.8 -42.4 26.3 16.8 9.5 91 93 A E H 3<5S+ 0 0 178 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.916 114.1 46.1 -60.8 -42.0 23.4 14.9 7.7 92 94 A K T 3<5S- 0 0 70 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.436 115.5-117.4 -80.2 0.6 22.0 18.3 6.6 93 95 A G T < 5S+ 0 0 33 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.652 79.5 123.3 72.7 15.4 25.5 19.5 5.4 94 96 A L S + 0 0 10 1,-0.1 3,-1.8 50,-0.1 -2,-0.1 0.679 62.3 152.1 63.6 24.2 37.4 26.8 3.8 106 126 A T T 3 S+ 0 0 46 1,-0.3 -1,-0.1 9,-0.0 -8,-0.0 0.877 79.3 38.4 -52.5 -38.1 39.9 24.4 2.0 107 127 A W T 3 S+ 0 0 26 8,-0.1 -1,-0.3 -11,-0.1 -2,-0.1 0.403 87.3 119.5 -95.3 4.0 37.7 21.5 3.3 108 128 A R < - 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0 0 29 -67,-3.2 2,-0.3 -2,-0.5 -63,-0.1 -0.247 25.3-172.6 -56.0 142.4 31.8 51.4 42.1 285 305 A D > - 0 0 65 1,-0.1 4,-1.8 2,-0.0 3,-0.4 -0.827 12.6-167.2-144.3 101.4 31.6 53.8 45.0 286 306 A H H > S+ 0 0 66 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.761 87.4 61.2 -62.6 -26.7 31.9 52.3 48.5 287 307 A N H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 105.6 46.5 -66.1 -42.8 30.7 55.6 50.2 288 308 A K H > S+ 0 0 70 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.904 112.1 50.7 -62.3 -44.7 27.4 55.4 48.4 289 309 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.913 110.1 50.8 -61.1 -41.9 27.1 51.7 49.3 290 310 A N H X S+ 0 0 27 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.884 107.2 52.8 -61.4 -44.4 27.8 52.5 53.0 291 311 A W H X S+ 0 0 143 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.953 112.8 44.8 -56.2 -49.9 25.1 55.3 53.0 292 312 A L H X S+ 0 0 8 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.863 111.1 52.9 -62.1 -40.7 22.5 52.8 51.7 293 313 A N H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.909 109.1 49.5 -65.2 -38.2 23.7 50.1 54.2 294 314 A N H X S+ 0 0 25 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.941 110.2 52.2 -60.6 -46.1 23.3 52.5 57.1 295 315 A H H X S+ 0 0 53 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.936 113.0 42.8 -53.8 -49.8 19.8 53.3 55.8 296 316 A Y H X S+ 0 0 12 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.802 108.0 59.5 -74.9 -28.4 18.8 49.7 55.6 297 317 A I H < S+ 0 0 0 -4,-2.2 3,-0.5 2,-0.2 -1,-0.2 0.936 105.3 49.5 -61.7 -47.8 20.4 48.9 59.0 298 318 A K H < S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.860 114.0 47.0 -55.7 -35.9 18.1 51.4 60.7 299 319 A E H < S+ 0 0 129 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.678 93.8 100.1 -80.8 -23.1 15.2 49.8 58.9 300 320 A A S < S- 0 0 7 -4,-1.4 2,-0.1 -3,-0.5 -3,-0.0 -0.362 83.0-101.5 -73.2 147.2 16.2 46.2 59.8 301 321 A D > - 0 0 102 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.400 27.4-131.3 -63.1 137.8 14.5 44.3 62.7 302 322 A D H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.850 104.9 52.4 -67.9 -34.5 16.7 44.2 65.8 303 323 A A H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 109.9 50.8 -67.0 -40.2 16.4 40.5 66.4 304 324 A R H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.950 111.2 47.8 -57.2 -48.6 17.5 39.9 62.8 305 325 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.890 106.9 57.7 -60.1 -41.2 20.5 42.2 63.3 306 326 A A H X S+ 0 0 7 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.919 108.2 45.8 -54.2 -50.4 21.4 40.5 66.6 307 327 A G H < S+ 0 0 40 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.867 113.8 48.4 -62.1 -39.5 21.7 37.1 64.8 308 328 A L H < S+ 0 0 65 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.831 107.9 57.2 -69.2 -32.6 23.8 38.7 62.0 309 329 A A H >X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 3,-1.3 0.754 82.8 86.3 -68.3 -26.0 26.0 40.4 64.6 310 330 A K H 3X S+ 0 0 109 -4,-1.0 4,-1.8 -3,-0.3 3,-0.4 0.871 87.7 48.9 -50.1 -49.4 27.1 37.2 66.4 311 331 A P H 3> S+ 0 0 87 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.814 109.5 53.6 -65.7 -22.3 30.0 36.3 64.1 312 332 A F H <4 S+ 0 0 27 -3,-1.3 4,-0.4 -4,-0.4 -2,-0.2 0.825 105.1 53.5 -77.6 -28.8 31.4 39.9 64.5 313 333 A F H ><>S+ 0 0 0 -4,-1.6 5,-2.2 -3,-0.4 3,-1.3 0.910 105.6 54.0 -70.4 -39.9 31.3 39.7 68.3 314 334 A A H ><5S+ 0 0 64 -4,-1.8 3,-2.5 1,-0.3 -2,-0.2 0.930 102.3 57.6 -55.1 -46.4 33.4 36.5 68.1 315 335 A A T 3<5S+ 0 0 85 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.645 106.4 51.4 -59.1 -15.8 36.0 38.5 66.0 316 336 A L T < 5S- 0 0 38 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.136 126.7 -99.5-105.5 15.6 36.2 40.9 69.0 317 337 A G T < 5S+ 0 0 74 -3,-2.5 2,-0.5 1,-0.2 -3,-0.2 0.819 82.3 133.8 67.6 31.8 36.8 38.1 71.6 318 338 A I < - 0 0 9 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.2 -0.978 41.3-151.9-122.2 127.5 33.1 38.1 72.6 319 339 A D > - 0 0 102 -2,-0.5 4,-1.6 -3,-0.1 5,-0.2 -0.510 27.3-112.0-108.4 152.0 31.5 34.8 73.0 320 340 A A H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.885 120.1 48.3 -44.0 -49.0 28.0 33.3 72.7 321 341 A G H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 107.9 53.0 -62.6 -43.4 28.0 32.7 76.5 322 342 A A H > S+ 0 0 41 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.743 111.0 49.2 -63.1 -25.3 29.2 36.2 77.4 323 343 A I H < S+ 0 0 11 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.916 110.1 47.5 -80.1 -49.9 26.3 37.6 75.3 324 344 A E H < S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.905 118.3 44.1 -54.7 -42.6 23.5 35.5 76.9 325 345 A Q H < S+ 0 0 92 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.781 112.4 63.0 -74.5 -29.9 25.0 36.4 80.3 326 346 A G S < S- 0 0 27 -4,-1.0 3,-0.1 1,-0.2 28,-0.1 -0.004 106.7 -42.4 -80.1-170.0 25.4 40.1 79.3 327 347 A P S S- 0 0 13 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.054 79.5 -78.7 -45.6 152.9 22.9 42.8 78.4 328 348 A D > - 0 0 90 42,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.482 39.7-150.9 -62.9 117.6 20.0 41.8 76.0 329 349 A L H > S+ 0 0 9 -2,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.857 93.2 57.4 -62.1 -37.0 21.6 41.8 72.5 330 350 A V H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 110.8 43.3 -60.6 -45.2 18.3 42.7 70.7 331 351 A S H > S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.840 110.6 55.9 -66.6 -37.1 18.0 45.9 72.9 332 352 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.882 106.1 51.6 -63.1 -35.9 21.7 46.6 72.4 333 353 A M H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.959 108.3 50.5 -66.4 -49.6 21.2 46.5 68.6 334 354 A G H < S+ 0 0 30 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.844 114.9 44.7 -56.6 -36.7 18.3 49.0 68.7 335 355 A L H < S+ 0 0 42 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.835 122.0 32.8 -77.8 -35.4 20.3 51.4 70.8 336 356 A M H < S+ 0 0 20 -4,-1.9 3,-0.4 -3,-0.2 4,-0.2 0.492 94.9 82.2-104.0 -7.4 23.6 51.3 68.9 337 357 A K >< + 0 0 23 -4,-1.7 3,-1.9 1,-0.2 -39,-0.1 0.778 66.5 84.3 -76.6 -25.0 22.8 50.8 65.2 338 358 A D T 3 S+ 0 0 87 -4,-0.3 -1,-0.2 1,-0.3 -40,-0.1 0.782 96.0 38.5 -57.8 -36.2 21.9 54.3 64.0 339 359 A R T 3 S+ 0 0 75 -3,-0.4 -1,-0.3 6,-0.1 2,-0.2 0.539 93.7 111.0 -86.6 -6.2 25.5 55.5 63.3 340 360 A A < - 0 0 0 -3,-1.9 -43,-0.2 -4,-0.2 -42,-0.1 -0.493 45.3-171.1 -81.2 136.9 26.8 52.2 61.8 341 361 A S S S+ 0 0 28 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.602 80.7 24.3 -88.7 -20.2 27.7 51.7 58.1 342 362 A T S > S- 0 0 11 -101,-0.1 4,-1.7 1,-0.1 -101,-0.2 -0.964 78.3-116.0-139.5 160.3 28.0 48.0 58.6 343 363 A V H > S+ 0 0 2 -103,-2.0 4,-2.1 -2,-0.3 5,-0.2 0.853 118.2 60.8 -62.0 -32.6 26.8 45.2 61.0 344 364 A K H > S+ 0 0 95 -105,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.933 102.6 50.0 -58.9 -46.8 30.5 44.9 62.0 345 365 A E H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.865 105.0 57.7 -59.3 -37.6 30.5 48.5 63.2 346 366 A I H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.980 109.5 44.8 -55.2 -50.7 27.3 47.8 65.2 347 367 A A H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.892 113.1 50.2 -64.3 -40.4 29.2 45.0 67.0 348 368 A E H < S+ 0 0 82 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.891 112.4 46.0 -62.8 -42.7 32.3 47.2 67.5 349 369 A N H < S+ 0 0 67 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.772 116.5 47.6 -70.3 -24.0 30.3 50.1 68.9 350 370 A S H >< S+ 0 0 0 -4,-1.7 3,-2.2 -5,-0.2 -1,-0.2 0.497 80.9 94.6 -94.9 -8.5 28.4 47.6 71.1 351 371 A A G >X + 0 0 2 -4,-0.9 3,-2.5 -3,-0.5 4,-0.6 0.814 69.8 75.5 -60.0 -32.0 31.4 45.7 72.6 352 372 A M G 34 S+ 0 0 75 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.663 87.6 61.5 -49.3 -22.9 31.4 48.0 75.6 353 373 A F G <4 S+ 0 0 6 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.502 115.4 30.5 -81.1 -7.3 28.3 46.1 76.9 354 374 A Y T <4 S+ 0 0 31 -3,-2.5 2,-0.3 -4,-0.2 -2,-0.2 0.259 103.5 87.5-136.4 6.4 30.3 42.8 77.1 355 375 A R S < S- 0 0 115 -4,-0.6 -37,-0.0 -3,-0.1 3,-0.0 -0.840 82.6-109.3-110.1 147.6 33.8 43.9 77.9 356 376 A A - 0 0 87 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.1 -0.675 51.2-103.8 -67.9 121.9 35.4 44.6 81.2 357 377 A P 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.213 360.0 360.0 -48.5 134.9 35.8 48.4 81.4 358 378 A A 0 0 154 -3,-0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.606 360.0 360.0 -79.7 360.0 39.4 49.7 80.8 359 ! 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 0.0 360 444 A H 0 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 88.7 31.0 57.2 73.6 361 445 A T - 0 0 89 -25,-0.0 3,-0.2 0, 0.0 -25,-0.0 -0.881 360.0-121.6-166.0 145.1 27.6 56.2 75.1 362 446 A P S S- 0 0 34 0, 0.0 5,-0.1 0, 0.0 -26,-0.0 -0.123 75.1 -29.6 -70.3-177.9 23.9 56.7 74.4 363 447 A S >> - 0 0 84 1,-0.1 4,-1.9 3,-0.1 3,-0.7 -0.050 65.4-128.0 -37.8 120.6 21.4 58.3 76.9 364 448 A I H 3> S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.818 103.4 55.6 -44.5 -42.6 22.9 57.3 80.3 365 449 A D H 3> S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 107.5 44.3 -65.9 -44.5 19.5 55.9 81.5 366 450 A A H <> S+ 0 0 33 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.919 113.6 52.9 -65.6 -42.9 18.9 53.4 78.7 367 451 A V H X S+ 0 0 14 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.918 110.7 46.7 -55.3 -49.5 22.6 52.2 78.9 368 452 A L H < S+ 0 0 96 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.896 107.8 56.8 -62.2 -42.3 22.2 51.6 82.7 369 453 A L H < S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.887 105.9 50.0 -57.6 -41.5 18.9 49.7 82.3 370 454 A L H < S+ 0 0 33 -4,-1.8 2,-0.4 -5,-0.1 -42,-0.3 0.870 101.9 67.1 -71.9 -39.1 20.5 47.2 79.9 371 455 A F S < S- 0 0 27 -4,-1.6 -45,-0.1 -5,-0.2 5,-0.0 -0.694 104.3-109.4 -67.6 132.5 23.4 46.6 82.3 372 456 A G > - 0 0 39 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 0.081 21.3-103.6 -58.3 175.0 21.7 44.9 85.3 373 457 A R H > S+ 0 0 83 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.962 122.1 50.5 -60.2 -52.1 21.1 46.4 88.8 374 458 A D H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.887 111.6 47.3 -53.9 -47.2 24.0 44.3 90.2 375 459 A V H > S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.900 115.1 43.1 -67.1 -45.3 26.5 45.4 87.5 376 460 A V H X S+ 0 0 43 -4,-1.8 4,-1.5 -8,-0.2 -2,-0.2 0.925 113.9 52.9 -66.7 -42.2 25.7 49.1 87.6 377 461 A V H X S+ 0 0 62 -4,-2.8 4,-1.8 -5,-0.2 3,-0.4 0.962 113.4 41.3 -57.3 -56.8 25.7 49.1 91.4 378 462 A S H X S+ 0 0 81 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.870 110.1 55.9 -58.3 -46.2 29.2 47.5 91.8 379 463 A R H < S+ 0 0 122 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.803 109.6 48.5 -64.8 -29.0 30.9 49.4 89.0 380 464 A I H < S+ 0 0 80 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.988 101.4 60.5 -67.8 -64.4 30.0 52.7 90.7 381 465 A E H < 0 0 96 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.1 0.770 360.0 360.0 -34.5 -48.8 31.1 51.9 94.3 382 466 A A < 0 0 124 -4,-1.4 -1,-0.3 0, 0.0 -2,-0.1 0.331 360.0 360.0 -62.9 360.0 34.7 51.3 93.1 383 ! 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 0.0 384 501 A E 0 0 54 0, 0.0 -374,-2.0 0, 0.0 -342,-0.1 0.000 360.0 360.0 360.0 360.0 29.6 33.5 30.4