==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 02-AUG-10 3O82 . COMPND 2 MOLECULE: PEPTIDE ARYLATION ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR E.J.DRAKE,B.P.DUCKWORTH,J.NERES,C.C.ALDRICH,A.M.GULICK . 870 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 10.6 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 . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 42 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 2 2 5 4 1 5 1 5 2 0 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 2 5 5 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 2 2 5 6 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 1 0 0 0 3 0 1 0 0 1 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 K 0 0 142 0, 0.0 2,-0.6 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 -43.8 -8.8 -13.6 42.6 2 4 A Q - 0 0 87 73,-0.1 3,-0.1 74,-0.1 2,-0.0 -0.622 360.0-139.7 -80.4 117.6 -8.6 -10.6 40.2 3 5 A L - 0 0 60 -2,-0.6 72,-0.0 1,-0.1 74,-0.0 -0.386 39.1 -77.9 -67.9 153.7 -11.6 -10.3 37.7 4 6 A I - 0 0 18 73,-0.2 185,-0.4 185,-0.1 2,-0.2 -0.205 51.2-118.3 -55.5 136.9 -10.9 -9.3 34.1 5 7 A E + 0 0 147 -3,-0.1 2,-0.3 183,-0.1 394,-0.2 -0.577 42.2 155.2 -83.0 142.6 -10.3 -5.6 33.5 6 8 A F - 0 0 37 -2,-0.2 2,-0.5 392,-0.1 391,-0.1 -0.896 47.8 -91.8-146.8 177.1 -12.5 -3.5 31.4 7 9 A V - 0 0 66 389,-0.3 388,-0.5 -2,-0.3 2,-0.1 -0.882 47.0-143.7 -96.0 129.9 -13.5 0.2 31.0 8 10 A R - 0 0 122 -2,-0.5 2,-0.1 1,-0.1 180,-0.0 -0.481 12.7-109.4 -93.1 159.9 -16.6 1.0 33.1 9 11 A W - 0 0 23 -2,-0.1 -1,-0.1 1,-0.1 386,-0.0 -0.369 50.6 -91.2 -67.3 162.1 -19.5 3.3 32.4 10 12 A S > - 0 0 45 1,-0.1 4,-2.6 -2,-0.1 3,-0.2 -0.434 33.4-117.1 -71.0 154.9 -19.5 6.3 34.6 11 13 A P H > S+ 0 0 100 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.882 116.2 60.7 -63.0 -32.0 -21.5 5.8 37.9 12 14 A E H > S+ 0 0 141 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.922 111.1 40.8 -52.2 -46.5 -24.0 8.6 36.7 13 15 A R H > S+ 0 0 30 2,-0.2 4,-3.3 -3,-0.2 5,-0.2 0.922 111.4 54.9 -71.8 -47.0 -24.7 6.3 33.7 14 16 A A H X S+ 0 0 15 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.926 111.6 46.4 -48.2 -48.8 -24.8 3.1 35.7 15 17 A Q H X S+ 0 0 119 -4,-2.9 4,-3.0 2,-0.2 3,-0.3 0.942 111.1 50.1 -65.2 -48.0 -27.3 4.6 38.0 16 18 A H H X S+ 0 0 71 -4,-2.3 4,-2.3 1,-0.2 6,-0.2 0.940 110.2 51.8 -53.5 -46.0 -29.5 5.9 35.2 17 19 A Y H <>S+ 0 0 4 -4,-3.3 6,-1.8 1,-0.2 5,-1.3 0.805 112.0 45.0 -70.8 -27.3 -29.4 2.5 33.5 18 20 A R H ><5S+ 0 0 84 -4,-1.9 3,-1.9 -3,-0.3 -1,-0.2 0.912 110.6 56.3 -72.6 -42.6 -30.6 0.7 36.7 19 21 A N H 3<5S+ 0 0 110 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.854 107.7 46.2 -55.3 -42.3 -33.2 3.4 37.2 20 22 A K T 3<5S- 0 0 104 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 0.364 117.0-114.5 -81.5 4.9 -34.8 2.9 33.8 21 23 A G T < 5S+ 0 0 38 -3,-1.9 -3,-0.2 2,-0.2 3,-0.1 0.586 84.3 119.7 72.0 11.2 -34.7 -0.9 34.4 22 24 A Y S - 0 0 34 0, 0.0 3,-2.9 0, 0.0 4,-0.2 -0.486 34.2-105.9 -68.5 151.6 -26.2 -13.0 35.2 28 30 A L T > S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.757 117.4 76.0 -44.8 -30.9 -26.9 -14.0 31.6 29 31 A T T >> S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 3,-1.1 0.728 70.3 87.4 -57.1 -18.7 -27.8 -17.4 32.9 30 32 A R H <> S+ 0 0 30 -3,-2.9 4,-3.0 1,-0.3 5,-0.5 0.920 80.0 63.0 -43.6 -47.8 -31.1 -15.7 34.0 31 33 A I H <> S+ 0 0 2 -3,-1.3 4,-1.1 1,-0.2 -1,-0.3 0.865 111.4 35.2 -40.8 -51.3 -32.3 -16.6 30.5 32 34 A L H <> S+ 0 0 0 -3,-1.1 4,-2.9 -4,-0.4 -2,-0.2 0.905 115.5 52.1 -74.2 -50.1 -31.9 -20.3 31.3 33 35 A T H X S+ 0 0 61 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.926 114.3 44.6 -55.5 -48.0 -33.0 -20.3 35.0 34 36 A V H X S+ 0 0 59 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.2 0.891 111.2 54.6 -63.1 -40.2 -36.2 -18.5 34.2 35 37 A G H X S+ 0 0 1 -4,-1.1 4,-2.7 -5,-0.5 3,-0.3 0.936 106.6 50.9 -63.1 -45.1 -36.8 -20.8 31.3 36 38 A V H < S+ 0 0 27 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 108.5 52.3 -56.5 -35.8 -36.5 -23.9 33.5 37 39 A Q H < S+ 0 0 150 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.848 119.5 32.1 -73.8 -33.3 -39.0 -22.5 36.0 38 40 A S H < S+ 0 0 88 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.1 0.838 139.0 4.5 -90.2 -42.7 -41.7 -21.7 33.4 39 41 A H >< + 0 0 45 -4,-2.7 3,-1.3 -5,-0.2 15,-0.4 -0.486 62.6 167.9-148.8 66.2 -41.4 -24.4 30.7 40 42 A P T 3 S+ 0 0 37 0, 0.0 15,-2.5 0, 0.0 16,-0.4 0.797 81.8 46.1 -55.8 -30.9 -38.7 -26.9 31.6 41 43 A H T 3 S+ 0 0 144 13,-0.2 2,-0.1 12,-0.2 -5,-0.1 0.411 83.9 111.4-100.6 1.7 -39.8 -29.3 28.8 42 44 A S S < S- 0 0 47 -3,-1.3 12,-1.6 -7,-0.2 2,-0.3 -0.357 80.4 -95.1 -62.4 154.2 -40.1 -26.8 25.9 43 45 A L E +A 53 0A 44 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.575 44.5 169.4 -78.6 128.7 -37.6 -27.2 23.1 44 46 A A E + 0 0 0 8,-3.1 214,-2.8 -2,-0.3 2,-0.4 0.714 68.5 25.9-100.5 -42.1 -34.6 -24.9 23.4 45 47 A I E -Ab 52 258A 2 7,-2.2 7,-2.8 212,-0.2 2,-0.5 -0.987 52.8-172.4-131.4 133.4 -32.4 -26.4 20.7 46 48 A I E +Ab 51 259A 0 212,-2.9 214,-3.5 -2,-0.4 2,-0.4 -0.991 13.4 168.9-117.7 122.3 -33.0 -28.4 17.6 47 49 A C E > -A 50 0A 21 3,-1.6 3,-1.5 -2,-0.5 2,-0.6 -0.872 64.5 -64.9-137.6 94.4 -29.8 -29.7 15.9 48 50 A G T 3 S- 0 0 46 -2,-0.4 212,-0.0 212,-0.3 0, 0.0 -0.470 122.1 -8.0 62.4-106.8 -30.6 -32.2 13.2 49 51 A E T 3 S+ 0 0 140 -2,-0.6 -1,-0.3 -3,-0.1 2,-0.0 0.783 117.7 92.8 -89.4 -34.3 -32.2 -35.2 14.9 50 52 A R E < -A 47 0A 97 -3,-1.5 -3,-1.6 -4,-0.0 2,-0.4 -0.247 52.6-165.0 -62.9 146.8 -31.6 -34.0 18.5 51 53 A Q E -A 46 0A 116 -5,-0.2 2,-0.5 -2,-0.0 -5,-0.2 -0.976 2.2-165.8-133.2 120.5 -33.9 -32.0 20.6 52 54 A L E -A 45 0A 15 -7,-2.8 -8,-3.1 -2,-0.4 -7,-2.2 -0.928 9.9-153.0-102.8 121.0 -32.7 -30.2 23.8 53 55 A S E > -A 43 0A 8 -2,-0.5 4,-2.8 -10,-0.3 -10,-0.2 -0.330 33.9-100.5 -79.5 173.6 -35.3 -29.0 26.2 54 56 A Y H > S+ 0 0 0 -12,-1.6 4,-2.7 -15,-0.4 -18,-0.2 0.928 125.8 44.6 -60.2 -44.1 -34.6 -26.0 28.5 55 57 A I H > S+ 0 0 35 -15,-2.5 4,-3.0 2,-0.2 5,-0.2 0.840 111.5 52.8 -73.0 -31.2 -34.0 -28.3 31.4 56 58 A E H > S+ 0 0 79 -16,-0.4 4,-2.7 2,-0.2 5,-0.2 0.944 112.5 46.3 -62.5 -43.2 -31.9 -30.6 29.3 57 59 A L H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.877 114.0 47.5 -64.7 -40.6 -29.9 -27.5 28.4 58 60 A D H X S+ 0 0 33 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.968 114.1 47.0 -65.3 -52.1 -29.7 -26.4 32.0 59 61 A R H X S+ 0 0 136 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.932 112.3 48.1 -55.0 -52.6 -28.6 -29.8 33.2 60 62 A L H X S+ 0 0 42 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.861 113.6 47.2 -59.7 -35.0 -26.0 -30.4 30.6 61 63 A S H X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.837 109.9 53.0 -81.0 -30.8 -24.4 -27.0 31.1 62 64 A T H X S+ 0 0 51 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.971 106.0 55.4 -58.2 -52.5 -24.5 -27.5 34.9 63 65 A N H X S+ 0 0 29 -4,-2.8 4,-2.4 1,-0.2 112,-0.4 0.927 110.5 44.1 -43.6 -57.1 -22.6 -30.8 34.4 64 66 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.851 111.8 52.8 -63.6 -33.9 -19.8 -29.1 32.5 65 67 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.914 110.9 46.1 -67.7 -43.0 -19.6 -26.2 34.9 66 68 A T H X S+ 0 0 32 -4,-2.6 4,-2.1 1,-0.2 113,-0.2 0.896 111.7 54.0 -63.6 -41.9 -19.2 -28.5 37.9 67 69 A R H X S+ 0 0 38 -4,-2.4 4,-0.6 -5,-0.3 -1,-0.2 0.841 110.1 45.3 -59.9 -36.8 -16.7 -30.4 35.9 68 70 A L H <>S+ 0 0 0 -4,-1.8 5,-1.9 2,-0.2 -1,-0.2 0.796 111.0 52.2 -77.5 -34.1 -14.5 -27.3 35.2 69 71 A A H ><5S+ 0 0 4 -4,-1.9 3,-3.5 3,-0.2 -2,-0.2 0.884 98.3 65.8 -68.6 -37.1 -14.7 -26.0 38.8 70 72 A E H 3<5S+ 0 0 48 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.854 103.5 48.0 -51.3 -36.3 -13.5 -29.4 40.0 71 73 A K T 3<5S- 0 0 98 -4,-0.6 -1,-0.3 -3,-0.1 -2,-0.2 0.200 125.1-107.4 -92.6 15.5 -10.3 -28.5 38.1 72 74 A G T < 5 + 0 0 59 -3,-3.5 2,-0.5 1,-0.2 -3,-0.2 0.730 69.8 141.7 71.3 25.9 -10.2 -25.1 39.7 73 75 A L < + 0 0 5 -5,-1.9 2,-0.2 4,-0.0 -1,-0.2 -0.867 30.1 100.0 -93.0 132.0 -11.2 -22.9 36.8 74 76 A G > + 0 0 16 -2,-0.5 3,-2.9 26,-0.2 28,-0.3 -0.822 61.9 18.3-175.3-146.8 -13.4 -20.0 37.8 75 77 A K T 3 S+ 0 0 83 24,-0.4 26,-0.1 1,-0.3 -1,-0.1 -0.193 124.7 25.3 -52.8 124.4 -13.5 -16.3 38.6 76 78 A G T 3 S+ 0 0 25 24,-0.5 -1,-0.3 1,-0.4 25,-0.1 -0.053 101.2 104.8 109.0 -33.1 -10.4 -14.7 37.2 77 79 A D < - 0 0 21 -3,-2.9 25,-1.5 23,-0.1 -1,-0.4 -0.332 53.7-152.7 -79.4 161.2 -9.8 -17.3 34.5 78 80 A T E -i 102 0B 7 45,-0.3 47,-2.1 23,-0.2 48,-0.9 -0.884 6.3-158.2-128.3 164.9 -10.4 -17.0 30.7 79 81 A A E -ij 103 126B 0 23,-1.6 25,-2.5 -2,-0.3 2,-0.5 -0.998 12.1-145.2-147.8 144.6 -11.2 -19.5 28.0 80 82 A L E -ij 104 127B 0 46,-2.6 48,-2.1 -2,-0.3 2,-0.4 -0.954 22.1-173.8-111.9 120.0 -11.0 -19.8 24.3 81 83 A V E +ij 105 128B 1 23,-2.3 25,-2.6 -2,-0.5 2,-0.4 -0.960 11.5 178.1-119.1 130.9 -13.8 -21.7 22.6 82 84 A Q E +i 106 0B 2 46,-3.1 48,-0.1 -2,-0.4 25,-0.1 -0.871 21.3 150.3-131.5 107.5 -14.0 -22.7 18.9 83 85 A L - 0 0 2 23,-0.5 25,-0.3 -2,-0.4 154,-0.1 -0.973 38.4-123.3-140.1 143.5 -17.0 -24.7 18.0 84 86 A P - 0 0 29 0, 0.0 2,-2.3 0, 0.0 5,-0.3 -0.127 56.7 -67.1 -74.9-176.8 -19.2 -25.1 14.9 85 87 A N S S+ 0 0 20 177,-0.3 2,-0.3 176,-0.1 176,-0.1 -0.406 91.2 118.5 -74.1 73.0 -23.0 -24.5 14.8 86 88 A V S > S- 0 0 36 -2,-2.3 3,-2.3 174,-0.1 4,-0.4 -0.931 80.0 -99.9-136.9 162.2 -24.0 -27.4 17.0 87 89 A A T >> S+ 0 0 1 -2,-0.3 4,-1.9 1,-0.3 3,-0.6 0.765 113.5 72.9 -53.7 -28.5 -25.9 -27.5 20.3 88 90 A E H 3> S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.812 84.8 68.0 -61.0 -28.8 -22.6 -28.0 22.2 89 91 A F H <> S+ 0 0 2 -3,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.946 105.8 38.9 -52.7 -53.2 -21.8 -24.3 21.5 90 92 A Y H <> S+ 0 0 1 -3,-0.6 4,-3.2 -4,-0.4 5,-0.3 0.890 112.9 55.5 -67.4 -42.7 -24.6 -23.1 23.8 91 93 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.937 113.2 43.5 -51.5 -49.1 -24.0 -25.8 26.4 92 94 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.922 111.9 52.6 -62.7 -44.8 -20.5 -24.7 26.6 93 95 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.950 114.1 42.8 -62.7 -48.7 -21.4 -20.9 26.6 94 96 A F H X S+ 0 0 1 -4,-3.2 4,-2.5 2,-0.2 5,-0.3 0.930 110.3 57.9 -60.2 -42.5 -23.8 -21.4 29.4 95 97 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.942 110.0 43.0 -53.8 -50.0 -21.3 -23.7 31.2 96 98 A L H X>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 4,-1.7 0.893 111.2 54.4 -67.0 -37.4 -18.7 -20.9 31.2 97 99 A L H <5S+ 0 0 4 -4,-2.2 87,-0.3 -5,-0.2 -1,-0.2 0.887 113.4 43.7 -60.0 -36.9 -21.3 -18.3 32.3 98 100 A K H <5S+ 0 0 21 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 112.6 51.9 -75.7 -41.4 -22.2 -20.5 35.2 99 101 A A H <5S- 0 0 1 -4,-2.7 83,-0.5 -5,-0.3 -24,-0.4 0.765 110.3-119.1 -63.3 -27.5 -18.6 -21.3 36.1 100 102 A G T <5 + 0 0 2 -4,-1.7 2,-0.7 1,-0.3 -24,-0.5 0.539 65.5 144.0 88.6 13.3 -17.5 -17.6 36.1 101 103 A V < - 0 0 1 -5,-1.8 2,-0.6 -6,-0.2 -1,-0.3 -0.787 50.3-134.4 -89.9 118.7 -15.1 -18.2 33.3 102 104 A V E -i 78 0B 5 -25,-1.5 -23,-1.6 -2,-0.7 2,-0.3 -0.614 30.6-156.8 -70.1 115.1 -14.9 -15.2 31.0 103 105 A V E -ik 79 191B 0 87,-0.7 89,-3.0 -2,-0.6 2,-0.5 -0.771 22.6-159.9-103.6 141.0 -15.0 -16.7 27.4 104 106 A L E -ik 80 192B 0 -25,-2.5 -23,-2.3 -2,-0.3 2,-0.7 -0.991 19.6-150.6-103.7 124.7 -13.9 -15.5 24.0 105 107 A N E -i 81 0B 8 87,-0.8 -23,-0.2 -2,-0.5 89,-0.1 -0.869 11.0-151.0 -97.9 107.2 -15.8 -17.4 21.3 106 108 A A E -i 82 0B 2 -25,-2.6 -23,-0.5 -2,-0.7 2,-0.2 -0.420 21.7-108.3 -73.3 148.3 -13.7 -17.7 18.2 107 109 A L > - 0 0 41 1,-0.1 3,-1.3 -25,-0.1 -1,-0.1 -0.566 23.7-126.6 -65.3 138.9 -15.3 -18.0 14.7 108 110 A Y T 3 S+ 0 0 76 -25,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.734 111.5 60.8 -54.5 -22.2 -15.0 -21.6 13.3 109 111 A S T 3 S+ 0 0 82 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.664 80.8 106.1 -84.5 -13.0 -13.5 -19.8 10.2 110 112 A H < - 0 0 13 -3,-1.3 2,-0.2 1,-0.1 -4,-0.0 -0.403 57.3-159.3 -63.6 136.1 -10.7 -18.4 12.3 111 113 A R >> - 0 0 115 -2,-0.1 4,-1.9 23,-0.1 3,-1.4 -0.528 39.5 -69.6-113.2-177.7 -7.3 -20.1 11.7 112 114 A Q H 3> S+ 0 0 87 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.789 125.9 61.9 -36.3 -46.2 -4.0 -20.5 13.6 113 115 A Y H 3> S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.907 111.6 34.1 -58.0 -45.6 -3.1 -16.9 13.0 114 116 A E H <> S+ 0 0 45 -3,-1.4 4,-2.3 2,-0.2 5,-0.2 0.939 116.5 53.8 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41.1-103.1-149.2-171.4 -10.9 -27.6 -13.3 565 132 B S E > - i 0 593E 1 27,-0.2 3,-1.4 -2,-0.2 6,-0.4 -1.000 9.8-145.6-138.0 133.5 -9.1 -29.7 -10.7 566 133 B R T 3 S+ 0 0 35 27,-2.1 28,-0.1 -2,-0.4 -1,-0.1 0.710 99.9 67.2 -68.3 -19.8 -10.3 -33.0 -9.2 567 134 B Q T 3 S+ 0 0 135 26,-0.2 2,-0.3 4,-0.0 -1,-0.2 0.512 84.9 95.8 -75.3 -3.6 -8.6 -31.9 -5.9 568 135 B H S X> S- 0 0 13 -3,-1.4 3,-2.3 1,-0.1 4,-1.0 -0.729 84.6-119.6 -98.3 139.3 -11.3 -29.1 -5.5 569 136 B E T 34 S+ 0 0 71 -2,-0.3 3,-0.3 1,-0.3 4,-0.2 0.739 110.4 55.1 -45.9 -33.5 -14.5 -29.5 -3.5 570 137 B V T 34 S+ 0 0 3 1,-0.2 6,-0.5 2,-0.1 -1,-0.3 0.761 113.4 37.1 -75.1 -25.2 -16.7 -28.8 -6.5 571 138 B F T <4 S+ 0 0 0 -3,-2.3 -1,-0.2 -6,-0.4 -2,-0.2 0.395 76.2 111.9-115.3 1.8 -15.3 -31.6 -8.8 572 139 B S S < S- 0 0 84 -4,-1.0 2,-0.2 -3,-0.3 -1,-0.2 0.741 100.4 -3.6 -37.8 -31.9 -14.7 -34.3 -6.1 573 140 B N S S- 0 0 61 -3,-0.3 4,-0.3 -4,-0.2 3,-0.3 -0.793 87.4 -95.2-151.4-171.3 -17.5 -36.0 -8.0 574 141 B N S > S+ 0 0 68 -2,-0.2 4,-3.4 1,-0.2 5,-0.4 0.189 85.3 107.9-109.7 15.7 -19.7 -35.2 -10.9 575 142 B Q H > S+ 0 0 146 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.955 88.3 41.3 -54.8 -50.6 -22.8 -33.8 -9.1 576 143 B F H > S+ 0 0 14 -6,-0.5 4,-1.1 -3,-0.3 -1,-0.2 0.955 117.9 46.7 -63.6 -50.5 -21.9 -30.3 -10.2 577 144 B I H >> S+ 0 0 24 -4,-0.3 3,-1.2 -7,-0.3 4,-1.0 0.953 115.2 44.6 -53.3 -54.9 -20.9 -31.3 -13.7 578 145 B D H >X S+ 0 0 103 -4,-3.4 4,-1.1 1,-0.3 3,-0.6 0.932 104.5 65.4 -58.0 -45.5 -24.0 -33.5 -14.3 579 146 B S H 3X S+ 0 0 37 -4,-2.6 4,-1.4 -5,-0.4 -1,-0.3 0.781 96.5 58.5 -47.3 -33.3 -26.2 -30.7 -12.8 580 147 B L H S+ 0 0 2 -3,-1.2 5,-1.3 -4,-1.1 4,-1.0 0.962 95.5 59.1 -63.2 -52.6 -25.2 -28.6 -15.8 581 148 B H H X<5S+ 0 0 52 -4,-1.0 3,-1.2 -3,-0.6 5,-0.2 0.876 104.8 54.4 -42.8 -49.5 -26.6 -31.1 -18.4 582 149 B D H 3<5S+ 0 0 129 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.958 108.9 43.6 -46.4 -68.6 -30.0 -30.6 -16.7 583 150 B V H 3<5S- 0 0 104 -4,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.478 120.0-111.8 -67.6 0.1 -30.1 -26.8 -16.9 584 151 B N T <<5S+ 0 0 148 -3,-1.2 -3,-0.2 -4,-1.0 -2,-0.1 0.895 85.8 112.2 76.6 45.8 -28.8 -27.2 -20.6 585 152 B L < + 0 0 37 -5,-1.3 -4,-0.2 -6,-0.1 -5,-0.1 -0.025 31.4 151.9-141.4 28.1 -25.3 -25.7 -20.1 586 153 B S - 0 0 72 -6,-0.3 -8,-0.0 -5,-0.2 -9,-0.0 -0.475 43.7-128.2 -60.8 124.4 -22.9 -28.5 -20.5 587 154 B P - 0 0 15 0, 0.0 -27,-0.2 0, 0.0 -26,-0.2 -0.315 13.0-129.6 -54.8 161.2 -19.5 -27.4 -21.8 588 155 B E S S+ 0 0 122 -28,-1.8 2,-0.4 1,-0.3 -27,-0.2 0.835 91.8 32.7 -83.3 -35.5 -18.3 -29.3 -24.9 589 156 B I E -i 561 0E 8 -29,-2.2 -27,-1.7 2,-0.0 2,-0.4 -0.981 62.6-172.7-129.5 132.4 -14.9 -30.0 -23.3 590 157 B I E -i 562 0E 47 -2,-0.4 10,-0.5 -29,-0.2 2,-0.4 -0.991 7.5-170.4-120.5 130.7 -13.9 -30.5 -19.7 591 158 B L E -i 563 0E 0 -29,-2.2 -27,-2.5 -2,-0.4 2,-0.5 -0.984 7.7-153.6-123.0 135.4 -10.2 -30.8 -18.7 592 159 B M E > -ij 564 601E 1 8,-2.7 10,-2.6 -2,-0.4 3,-0.6 -0.883 9.1-153.9-118.1 129.5 -9.0 -31.9 -15.3 593 160 B L E 3 S+i 565 0E 10 -29,-2.7 -27,-2.1 -2,-0.5 -26,-0.2 -0.558 94.3 18.3 -80.5 161.5 -5.9 -31.1 -13.4 594 161 B N T 3 S- 0 0 75 -2,-0.2 -1,-0.2 -29,-0.2 -29,-0.1 0.856 103.4-170.1 36.9 43.2 -4.9 -33.9 -10.8 595 162 B H < - 0 0 89 -3,-0.6 2,-0.2 -29,-0.1 -1,-0.1 -0.197 16.5-156.0 -66.6 153.8 -7.3 -35.9 -13.0 596 163 B Q > - 0 0 118 1,-0.4 3,-1.7 -3,-0.1 -4,-0.1 -0.577 48.7 -33.2-117.3 171.3 -8.6 -39.3 -12.2 597 164 B A T 3 S+ 0 0 87 1,-0.2 -1,-0.4 -2,-0.2 3,-0.1 0.196 125.0 7.1 -15.6 139.7 -9.9 -42.1 -14.3 598 165 B T T 3 S+ 0 0 153 1,-0.1 2,-0.2 -3,-0.1 -1,-0.2 0.441 94.1 126.2 46.9 7.6 -11.9 -41.1 -17.6 599 166 B D S < S- 0 0 29 -3,-1.7 2,-0.6 -7,-0.0 -1,-0.1 -0.638 71.7-113.5 -78.1 149.2 -11.1 -37.4 -17.3 600 167 B F - 0 0 111 -10,-0.5 -8,-2.7 -2,-0.2 2,-0.4 -0.796 44.8-123.1 -69.0 119.3 -9.6 -35.6 -20.2 601 168 B G B > -j 592 0E 5 -2,-0.6 4,-1.9 -10,-0.2 -8,-0.2 -0.559 14.8-152.5 -75.4 125.6 -6.2 -34.8 -18.6 602 169 B L H >> S+ 0 0 0 -10,-2.6 4,-0.6 -2,-0.4 3,-0.5 0.974 101.0 49.5 -55.5 -54.9 -5.2 -31.1 -18.5 603 170 B L H >> S+ 0 0 83 -11,-0.4 4,-2.2 1,-0.2 3,-0.8 0.838 108.0 55.8 -53.6 -32.6 -1.6 -32.0 -18.4 604 171 B D H 3> S+ 0 0 95 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.853 104.2 50.7 -72.1 -39.7 -2.2 -34.3 -21.4 605 172 B W H << S+ 0 0 14 -4,-1.9 -103,-0.3 -3,-0.5 -1,-0.3 0.505 115.7 45.7 -74.4 -3.4 -3.7 -31.6 -23.6 606 173 B I H << S+ 0 0 2 -3,-0.8 -2,-0.2 -4,-0.6 -107,-0.2 0.764 99.4 65.8-101.3 -38.4 -0.6 -29.5 -22.8 607 174 B E H < S+ 0 0 58 -4,-2.2 -2,-0.1 -5,-0.2 -3,-0.1 0.856 109.5 26.2 -59.3 -41.2 2.2 -32.0 -23.2 608 175 B T S < S- 0 0 78 -4,-0.9 -106,-0.1 -110,-0.1 -1,-0.1 -0.960 78.8-118.9-129.8 144.8 1.8 -32.5 -27.0 609 176 B P - 0 0 69 0, 0.0 -111,-0.1 0, 0.0 -110,-0.1 -0.201 49.1 -83.2 -66.9 169.0 0.4 -30.4 -29.9 610 177 B A - 0 0 18 -112,-0.4 -108,-0.1 2,-0.1 -109,-0.0 -0.226 26.5-127.1 -75.0 165.5 -2.6 -31.7 -31.9 611 178 B E S S+ 0 0 105 -109,-0.1 -1,-0.1 -110,-0.0 -109,-0.0 0.979 91.5 45.7 -77.1 -62.3 -2.5 -34.2 -34.8 612 179 B T S S- 0 0 90 -111,-0.0 2,-0.6 -110,-0.0 -107,-0.1 -0.227 86.1-121.0 -68.8 163.7 -4.5 -32.2 -37.4 613 180 B F + 0 0 166 -109,-0.1 2,-0.3 -108,-0.1 -112,-0.0 -0.956 33.4 170.6-113.1 109.9 -3.9 -28.5 -38.2 614 181 B V - 0 0 64 -2,-0.6 2,-0.3 -113,-0.2 -109,-0.2 -0.836 35.4-109.9-104.8 158.5 -6.8 -26.1 -37.7 615 182 B D + 0 0 133 -2,-0.3 2,-0.3 -111,-0.1 -81,-0.0 -0.623 40.9 164.2 -90.6 142.8 -6.3 -22.4 -37.8 616 183 B F + 0 0 60 -2,-0.3 2,-0.3 -107,-0.1 -81,-0.1 -0.993 9.7 174.1-153.7 156.5 -6.5 -20.0 -34.9 617 184 B S - 0 0 57 -83,-0.4 -107,-0.2 -2,-0.3 -84,-0.0 -0.963 38.8 -86.1-153.6 169.8 -5.6 -16.5 -33.8 618 185 B S - 0 0 24 -2,-0.3 -85,-0.1 1,-0.1 3,-0.1 -0.148 52.9 -93.7 -69.1 168.8 -6.1 -14.2 -30.9 619 186 B T - 0 0 7 -87,-0.3 -1,-0.1 1,-0.1 -84,-0.1 -0.504 63.8 -78.3 -77.5 157.7 -9.2 -12.0 -30.7 620 187 B P > - 0 0 58 0, 0.0 3,-2.0 0, 0.0 24,-0.4 -0.211 43.4-110.1 -59.9 156.5 -8.4 -8.6 -32.2 621 188 B A T 3 S+ 0 0 12 1,-0.3 24,-2.4 -161,-0.2 23,-0.3 0.770 116.5 46.8 -58.5 -29.7 -6.4 -6.2 -30.0 622 189 B D T 3 S+ 0 0 55 22,-0.2 -1,-0.3 21,-0.1 2,-0.3 0.066 103.4 82.8-102.3 19.0 -9.4 -3.7 -29.4 623 190 B E S < S- 0 0 26 -3,-2.0 21,-1.0 -4,-0.1 22,-0.2 -0.844 98.4 -68.4-118.7 159.3 -11.7 -6.6 -28.6 624 191 B V E + K 0 643E 3 -185,-0.4 19,-0.3 -2,-0.3 -185,-0.2 -0.215 43.7 175.8 -47.7 125.3 -12.4 -8.6 -25.4 625 192 B A E - 0 0 2 17,-2.9 -87,-0.7 1,-0.4 2,-0.3 0.747 63.6 -31.4 -97.0 -40.9 -9.4 -10.7 -24.5 626 193 B F E -hK 538 642E 0 16,-1.5 16,-1.8 -89,-0.2 2,-0.5 -0.962 64.3 -93.8-166.0 170.8 -10.7 -12.1 -21.2 627 194 B F E -hK 539 641E 3 -89,-2.7 -87,-0.8 -2,-0.3 2,-0.2 -0.904 24.4-164.8-104.3 129.9 -12.9 -11.3 -18.2 628 195 B Q E - K 0 640E 11 12,-3.0 12,-2.7 -2,-0.5 2,-0.3 -0.599 21.0-132.8 -86.8 164.9 -11.6 -9.8 -14.9 629 196 B L E - K 0 639E 19 -2,-0.2 46,-0.2 10,-0.2 10,-0.2 -0.935 13.5-117.5-118.5 149.4 -14.0 -10.0 -11.9 630 197 B S - 0 0 6 8,-1.7 3,-0.2 -2,-0.3 142,-0.0 -0.505 11.9-161.9 -81.3 152.8 -14.9 -7.3 -9.4 631 198 B G S S+ 0 0 81 -2,-0.2 -1,-0.1 1,-0.1 141,-0.0 0.538 80.2 69.0-107.2 -11.8 -14.1 -7.5 -5.7 632 199 B G S S+ 0 0 56 2,-0.1 2,-0.3 219,-0.0 -1,-0.1 -0.257 75.0 115.3-103.2 43.1 -16.5 -4.9 -4.4 633 200 B S - 0 0 45 -3,-0.2 2,-0.6 2,-0.2 0, 0.0 -0.826 60.1-140.2-108.6 146.9 -19.9 -6.7 -5.1 634 201 B T S S+ 0 0 67 -2,-0.3 2,-0.2 2,-0.1 -2,-0.1 -0.944 89.0 14.8 -91.9 128.3 -22.6 -8.0 -2.8 635 202 B G S S- 0 0 23 -2,-0.6 -2,-0.2 2,-0.0 3,-0.1 -0.560 123.7 -12.9 98.9-172.0 -23.4 -11.2 -4.6 636 203 B T S S- 0 0 34 -2,-0.2 2,-0.1 1,-0.1 -2,-0.1 -0.287 86.4 -90.5 -60.6 146.6 -21.3 -12.9 -7.3 637 204 B P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.433 42.3-122.1 -62.8 130.5 -18.5 -10.9 -8.8 638 205 B K - 0 0 56 -2,-0.1 -8,-1.7 -3,-0.1 2,-0.5 -0.337 28.9-108.5 -69.8 156.0 -19.6 -8.9 -11.9 639 206 B L E -K 629 0E 3 194,-0.3 194,-2.9 -10,-0.2 -10,-0.2 -0.811 27.4-163.2 -99.6 131.9 -17.7 -9.6 -15.2 640 207 B I E -K 628 0E 0 -12,-2.7 -12,-3.0 -2,-0.5 192,-0.1 -0.948 12.7-143.0-115.1 104.4 -15.3 -6.9 -16.5 641 208 B P E -K 627 0E 8 0, 0.0 2,-0.4 0, 0.0 -14,-0.2 -0.496 19.2-171.0 -64.8 140.2 -14.3 -7.3 -20.1 642 209 B R E -K 626 0E 2 -16,-1.8 -17,-2.9 -2,-0.1 -16,-1.5 -0.996 10.5-143.1-132.3 134.8 -10.7 -6.3 -20.6 643 210 B T E > -K 624 0E 2 -2,-0.4 4,-2.0 -19,-0.3 5,-0.3 -0.507 25.6-111.6 -93.5 167.6 -9.2 -5.9 -24.1 644 211 B H H > S+ 0 0 0 -21,-1.0 4,-2.2 -24,-0.4 5,-0.3 0.908 116.4 52.6 -60.3 -39.5 -5.7 -6.8 -25.3 645 212 B N H > S+ 0 0 2 -24,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.953 113.3 38.5 -65.9 -49.8 -4.9 -3.1 -25.7 646 213 B D H > S+ 0 0 2 -25,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 119.8 45.3 -74.8 -36.3 -5.9 -1.9 -22.3 647 214 B Y H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.960 113.5 48.4 -71.5 -48.8 -4.6 -4.8 -20.3 648 215 B D H X S+ 0 0 1 -4,-2.2 4,-3.0 -5,-0.3 5,-0.2 0.873 110.8 53.5 -57.8 -39.1 -1.3 -5.0 -22.2 649 216 B Y H X S+ 0 0 15 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.966 109.4 46.5 -59.1 -52.6 -0.9 -1.2 -21.7 650 217 B S H X S+ 0 0 1 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.854 114.5 48.8 -60.1 -37.3 -1.4 -1.4 -18.0 651 218 B V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 3,-0.3 0.981 112.3 47.1 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