==== 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 21-APR-08 3CW9 . COMPND 2 MOLECULE: 4-CHLOROBENZOYL COA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES SP.; . AUTHOR A.S.REGER,J.CAO,R.WU,D.DUNAWAY-MARIANO,A.M.GULICK . 1006 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 680 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 63 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 241 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.6 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 2 2 4 2 8 4 0 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 0 13 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 . 10 6 2 5 2 5 0 0 0 2 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 0 0 2 0 4 0 2 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 58 0, 0.0 2,-0.5 0, 0.0 862,-0.3 0.000 360.0 360.0 360.0 167.5 24.0 1.9 58.2 2 2 A Q - 0 0 1 174,-0.2 177,-0.4 173,-0.1 2,-0.0 -0.971 360.0-156.5-116.8 111.9 20.8 3.6 59.3 3 3 A T > - 0 0 11 -2,-0.5 4,-2.6 175,-0.1 5,-0.2 -0.226 32.0-103.3 -75.4 171.0 20.9 7.3 58.3 4 4 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.951 124.9 50.2 -57.1 -47.7 18.9 10.1 60.0 5 5 A N H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.888 111.6 47.5 -58.4 -42.1 16.4 10.0 57.1 6 6 A E H > S+ 0 0 43 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.907 110.5 51.2 -68.7 -43.5 16.1 6.2 57.3 7 7 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.916 117.1 40.3 -57.9 -44.3 15.5 6.3 61.1 8 8 A L H X S+ 0 0 24 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.848 114.0 52.5 -77.9 -35.8 12.8 8.9 60.8 9 9 A R H X S+ 0 0 80 -4,-2.8 4,-1.2 -5,-0.3 -2,-0.2 0.938 111.9 45.8 -61.2 -48.1 11.3 7.4 57.6 10 10 A R H X S+ 0 0 13 -4,-2.8 4,-1.4 1,-0.2 3,-0.5 0.912 110.5 54.7 -63.5 -41.3 11.0 4.0 59.4 11 11 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.868 106.0 52.3 -56.1 -41.0 9.6 5.7 62.5 12 12 A A H < S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.752 107.1 52.4 -71.1 -26.1 6.8 7.3 60.4 13 13 A T H < S+ 0 0 49 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.795 115.8 41.2 -75.3 -30.3 5.8 3.9 58.9 14 14 A R H < S+ 0 0 13 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.816 132.0 20.9 -84.5 -36.9 5.5 2.5 62.4 15 15 A A S >< S+ 0 0 0 -4,-2.4 3,-1.7 -5,-0.2 17,-0.6 -0.314 70.8 151.4-131.7 52.1 3.8 5.4 64.1 16 16 A P T 3 S+ 0 0 41 0, 0.0 17,-2.8 0, 0.0 18,-0.5 0.823 78.4 39.8 -57.7 -38.0 2.2 7.6 61.4 17 17 A D T 3 S+ 0 0 140 15,-0.2 2,-0.3 14,-0.2 -5,-0.0 0.288 92.7 105.3 -99.6 9.2 -0.7 9.0 63.5 18 18 A H S < S- 0 0 45 -3,-1.7 14,-2.2 -6,-0.1 2,-0.2 -0.697 84.2 -97.4 -88.9 142.0 1.4 9.5 66.6 19 19 A C E +A 31 0A 25 -2,-0.3 12,-0.3 12,-0.3 3,-0.1 -0.412 43.7 170.7 -60.6 122.0 2.4 13.1 67.6 20 20 A A E + 0 0 0 10,-3.0 205,-3.8 1,-0.3 2,-0.5 0.842 67.9 29.9 -94.9 -51.0 6.0 13.8 66.4 21 21 A L E -Ab 30 225A 1 9,-2.2 9,-2.7 203,-0.2 2,-0.5 -0.959 63.4-174.0-119.2 126.9 6.2 17.6 67.1 22 22 A A E +Ab 29 226A 0 203,-2.3 205,-2.4 -2,-0.5 7,-0.2 -0.981 9.5 176.4-118.8 122.6 4.3 19.4 69.8 23 23 A V E >>> +A 28 0A 4 5,-3.6 5,-2.0 -2,-0.5 3,-0.8 -0.748 8.1 176.7-120.1 82.4 4.4 23.3 70.0 24 24 A P G >45S+ 0 0 29 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.843 75.2 56.5 -59.9 -39.1 2.0 23.9 72.9 25 25 A A G 345S+ 0 0 103 1,-0.3 203,-0.0 2,-0.1 -2,-0.0 0.844 117.2 35.7 -62.4 -34.5 2.5 27.7 73.1 26 26 A R G <45S- 0 0 148 -3,-0.8 -1,-0.3 2,-0.1 3,-0.1 0.354 109.4-121.8 -98.0 1.6 1.5 28.0 69.4 27 27 A G T <<5 + 0 0 65 -3,-0.9 2,-0.4 -4,-0.6 -2,-0.1 0.782 63.6 144.7 60.9 29.2 -1.1 25.2 69.6 28 28 A L E < +A 23 0A 33 -5,-2.0 -5,-3.6 2,-0.0 2,-0.4 -0.855 21.1 170.2-102.7 131.6 0.7 23.3 66.8 29 29 A R E -A 22 0A 115 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.991 8.1-172.4-138.6 132.0 0.9 19.4 66.8 30 30 A L E -A 21 0A 5 -9,-2.7 -10,-3.0 -2,-0.4 -9,-2.2 -0.993 15.4-139.2-128.0 130.1 2.1 17.3 63.9 31 31 A T E > -A 19 0A 26 -2,-0.4 4,-2.7 -12,-0.3 -12,-0.3 -0.233 35.4-100.8 -72.3 169.5 2.0 13.5 63.7 32 32 A H H > S+ 0 0 8 -14,-2.2 4,-2.3 -17,-0.6 -15,-0.2 0.913 126.7 47.5 -57.0 -45.4 4.9 11.5 62.3 33 33 A A H > S+ 0 0 19 -17,-2.8 4,-2.3 -18,-0.2 -1,-0.2 0.883 111.7 50.2 -63.8 -40.0 3.0 11.2 58.9 34 34 A E H > S+ 0 0 80 -18,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.908 111.6 47.8 -65.4 -43.3 2.3 15.0 58.9 35 35 A L H X S+ 0 0 9 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.925 111.1 51.6 -60.9 -45.4 5.9 15.8 59.6 36 36 A R H X S+ 0 0 97 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.899 108.3 51.7 -57.4 -44.9 7.0 13.4 56.8 37 37 A A H X S+ 0 0 52 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.893 112.6 45.5 -59.5 -41.9 4.6 15.1 54.4 38 38 A R H X S+ 0 0 44 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.896 111.0 51.3 -71.9 -42.2 6.0 18.5 55.2 39 39 A V H X S+ 0 0 12 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.923 112.5 48.0 -57.3 -46.9 9.7 17.4 55.0 40 40 A E H X S+ 0 0 65 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.896 111.4 50.1 -59.2 -44.5 8.8 15.9 51.6 41 41 A A H X S+ 0 0 25 -4,-2.1 4,-1.9 2,-0.2 100,-0.3 0.912 113.2 44.6 -64.1 -44.9 7.1 19.1 50.4 42 42 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.914 113.1 51.7 -67.0 -43.3 10.0 21.4 51.5 43 43 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.915 109.2 50.7 -55.1 -46.6 12.6 18.9 50.0 44 44 A A H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.883 111.0 48.7 -61.2 -40.8 10.6 19.0 46.6 45 45 A R H X S+ 0 0 45 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.948 111.6 47.4 -64.9 -51.7 10.6 22.8 46.6 46 46 A L H <>S+ 0 0 1 -4,-2.5 5,-2.3 1,-0.2 4,-0.3 0.890 114.3 49.1 -55.1 -41.3 14.3 23.2 47.3 47 47 A H H ><5S+ 0 0 57 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.899 108.5 51.8 -67.6 -43.5 15.0 20.5 44.6 48 48 A A H 3<5S+ 0 0 50 -4,-2.5 -1,-0.2 93,-0.3 -2,-0.2 0.879 106.2 55.8 -58.6 -39.1 12.7 22.3 42.1 49 49 A D T 3<5S- 0 0 62 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.574 130.0 -98.0 -72.9 -9.2 14.7 25.5 42.8 50 50 A G T < 5 + 0 0 44 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.445 68.2 151.8 114.0 1.1 17.9 23.6 41.9 51 51 A L < - 0 0 2 -5,-2.3 -1,-0.3 1,-0.0 28,-0.1 -0.408 28.1-155.8 -67.6 139.1 19.5 22.4 45.1 52 52 A R > - 0 0 128 -2,-0.1 3,-1.4 1,-0.1 26,-0.1 -0.788 23.1 -88.5-117.6 156.0 21.5 19.2 44.8 53 53 A P T 3 S+ 0 0 49 0, 0.0 26,-0.3 0, 0.0 25,-0.1 -0.274 110.3 22.6 -57.6 148.5 22.6 16.4 47.0 54 54 A Q T 3 S+ 0 0 59 24,-3.2 2,-0.3 1,-0.3 25,-0.2 0.332 89.3 129.1 71.8 -3.8 26.0 16.9 48.9 55 55 A Q < - 0 0 62 -3,-1.4 25,-2.8 47,-0.1 2,-0.3 -0.623 61.1-121.1 -76.1 137.6 25.7 20.7 48.5 56 56 A R E -i 80 0B 64 45,-0.3 47,-2.7 -2,-0.3 48,-1.1 -0.666 28.7-174.0 -84.5 136.2 26.2 22.5 51.9 57 57 A V E -ij 81 104B 1 23,-2.3 25,-2.4 -2,-0.3 48,-0.3 -0.980 19.3-133.7-133.6 119.2 23.4 24.7 53.2 58 58 A A E -ij 82 105B 0 46,-2.2 48,-3.2 -2,-0.4 2,-0.4 -0.384 14.2-159.1 -68.4 146.6 23.8 26.9 56.2 59 59 A V E +ij 83 106B 4 23,-2.3 25,-3.0 46,-0.2 2,-0.5 -0.979 14.6 173.0-129.0 118.7 21.0 26.9 58.8 60 60 A V E +ij 84 107B 0 46,-2.6 48,-2.7 -2,-0.4 49,-0.2 -0.835 31.1 113.6-131.4 92.2 20.8 29.8 61.1 61 61 A A - 0 0 7 23,-0.6 144,-0.1 -2,-0.5 145,-0.1 -0.991 61.0-110.0-159.8 143.6 17.7 29.8 63.3 62 62 A P - 0 0 63 0, 0.0 5,-0.2 0, 0.0 167,-0.1 -0.336 63.6 -68.7 -68.7 165.2 16.5 29.4 66.9 63 63 A N S S+ 0 0 13 166,-0.2 2,-0.3 165,-0.2 3,-0.1 -0.313 76.0 135.2 -56.2 133.2 14.7 26.2 67.8 64 64 A S > - 0 0 17 -3,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.956 67.6-103.8-167.4 164.7 11.3 25.9 66.2 65 65 A A H > S+ 0 0 4 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.855 119.8 57.7 -63.2 -33.9 9.0 23.4 64.4 66 66 A D H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 105.4 46.5 -67.2 -39.7 9.9 25.2 61.1 67 67 A V H > S+ 0 0 4 2,-0.2 4,-3.0 -5,-0.2 5,-0.3 0.857 108.9 56.1 -73.0 -32.8 13.7 24.8 61.5 68 68 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.960 110.6 45.7 -56.4 -49.9 13.2 21.1 62.4 69 69 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.913 114.3 47.7 -60.8 -45.0 11.3 20.7 59.1 70 70 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.922 111.9 48.1 -64.2 -47.8 13.9 22.7 57.1 71 71 A I H X S+ 0 0 2 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.943 115.7 44.8 -57.7 -48.4 16.9 20.7 58.5 72 72 A L H X S+ 0 0 8 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.841 111.6 52.9 -68.1 -34.0 15.2 17.4 57.9 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.873 108.3 50.4 -66.8 -40.8 14.1 18.5 54.4 74 74 A L H X>S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 5,-1.6 0.937 114.2 44.7 -58.7 -48.5 17.7 19.5 53.5 75 75 A H H <5S+ 0 0 2 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.910 110.0 55.4 -63.8 -44.6 18.9 16.1 54.7 76 76 A R H <5S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.908 110.0 45.8 -51.6 -48.3 16.0 14.3 52.9 77 77 A L H <5S- 0 0 2 -4,-2.3 -1,-0.2 70,-0.1 -2,-0.2 0.860 121.6-109.2 -62.8 -38.2 17.1 16.0 49.6 78 78 A G T <5S+ 0 0 5 -4,-1.9 -24,-3.2 1,-0.4 -3,-0.2 0.316 72.1 137.1 118.1 -4.8 20.7 15.0 50.3 79 79 A A < - 0 0 2 -5,-1.6 -1,-0.4 -26,-0.3 -23,-0.2 -0.302 57.4-118.2 -62.7 158.0 22.1 18.5 51.0 80 80 A V E -i 56 0B 1 -25,-2.8 -23,-2.3 77,-0.1 77,-0.2 -0.893 23.9-142.7-104.0 103.8 24.5 18.8 54.0 81 81 A P E -i 57 0B 0 0, 0.0 77,-2.6 0, 0.0 2,-0.6 -0.510 7.1-158.6 -67.7 134.1 23.0 21.2 56.6 82 82 A A E -ik 58 158B 0 -25,-2.4 -23,-2.3 75,-0.2 2,-0.4 -0.936 17.3-147.9-111.8 101.0 25.7 23.3 58.3 83 83 A L E -ik 59 159B 3 75,-2.4 77,-0.6 -2,-0.6 2,-0.4 -0.584 17.2-171.7 -82.2 123.6 24.1 24.3 61.6 84 84 A L E -i 60 0B 2 -25,-3.0 -23,-0.6 -2,-0.4 123,-0.1 -0.937 30.2-108.0-120.4 139.1 25.1 27.7 62.9 85 85 A N > - 0 0 13 -2,-0.4 3,-1.7 1,-0.1 -25,-0.1 -0.458 22.4-147.9 -61.1 119.3 24.4 29.4 66.3 86 86 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.598 92.8 71.0 -69.9 -10.8 21.8 32.2 65.6 87 87 A R T 3 S+ 0 0 158 -26,-0.1 385,-0.5 384,-0.0 386,-0.2 0.606 77.7 102.9 -76.4 -14.8 23.4 34.3 68.4 88 88 A L S < S- 0 0 17 -3,-1.7 2,-0.1 383,-0.1 382,-0.1 -0.355 77.0-113.6 -67.6 151.5 26.4 34.8 66.2 89 89 A K > - 0 0 45 380,-0.4 4,-2.3 1,-0.1 3,-0.2 -0.354 29.1 -97.3 -86.7 170.7 26.7 38.2 64.5 90 90 A S H > S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.828 116.6 50.0 -59.7 -43.5 26.6 39.0 60.8 91 91 A A H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 113.0 46.2 -66.0 -42.2 30.3 39.1 59.9 92 92 A E H > S+ 0 0 24 -3,-0.2 4,-2.3 377,-0.2 -2,-0.2 0.925 115.5 46.7 -65.3 -46.4 31.1 35.8 61.6 93 93 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.944 113.8 47.5 -60.6 -49.6 28.1 34.1 60.0 94 94 A A H X S+ 0 0 6 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.901 113.1 48.5 -59.9 -42.4 28.9 35.5 56.6 95 95 A E H X S+ 0 0 62 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.894 111.5 49.0 -68.9 -39.2 32.6 34.5 56.8 96 96 A L H X S+ 0 0 9 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.883 112.9 47.9 -64.9 -39.3 31.8 30.9 58.0 97 97 A I H <>S+ 0 0 0 -4,-2.3 5,-1.5 -5,-0.2 4,-0.2 0.910 114.2 47.9 -66.6 -41.5 29.3 30.5 55.1 98 98 A K H ><5S+ 0 0 92 -4,-2.5 3,-1.8 -5,-0.2 -2,-0.2 0.951 112.5 46.0 -61.9 -53.7 31.9 31.9 52.6 99 99 A R H 3<5S+ 0 0 136 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.811 109.3 57.8 -61.6 -30.7 34.8 29.7 53.8 100 100 A G T 3<5S- 0 0 2 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.518 101.6-136.6 -75.0 -6.0 32.4 26.7 53.8 101 101 A E T < 5 - 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M 0 173B 1 16,-1.7 16,-3.3 -77,-0.2 -1,-0.5 -0.981 57.6-145.5-143.9 151.3 25.8 17.3 58.8 158 158 A I E +kM 82 172B 2 -77,-2.6 -75,-2.4 -2,-0.3 2,-0.3 -0.989 16.8 179.6-123.1 127.8 28.2 20.0 59.8 159 159 A F E -kM 83 171B 1 12,-1.9 12,-2.5 -2,-0.4 2,-0.4 -0.944 20.6-130.7-123.6 147.2 28.4 21.4 63.3 160 160 A Y E + M 0 170B 23 -77,-0.6 2,-0.3 46,-0.4 10,-0.2 -0.782 23.5 174.2-104.9 140.3 30.8 24.1 64.6 161 161 A T E - M 0 169B 18 8,-2.0 8,-3.3 -2,-0.4 2,-0.1 -0.995 36.1 -97.3-142.0 149.1 33.1 24.2 67.6 162 162 A S - 0 0 16 -2,-0.3 2,-0.1 6,-0.3 5,-0.1 -0.342 30.4-155.2 -69.2 136.8 35.7 26.7 68.8 163 163 A G - 0 0 6 3,-0.3 250,-0.1 2,-0.2 3,-0.1 -0.400 35.7-101.9 -91.5-179.6 39.4 26.3 68.1 164 164 A T S S+ 0 0 72 1,-0.1 2,-0.3 -2,-0.1 251,-0.2 0.616 107.4 18.5 -79.9 -13.8 42.2 27.8 70.2 165 165 A T S S+ 0 0 108 2,-0.2 -2,-0.2 250,-0.1 -1,-0.1 -0.981 110.5 6.7-150.4 155.9 42.6 30.4 67.5 166 166 A G S S- 0 0 35 -2,-0.3 -3,-0.3 -3,-0.1 3,-0.1 -0.040 99.5 -20.2 71.3-170.5 40.5 31.8 64.6 167 167 A L S S- 0 0 41 1,-0.1 -2,-0.2 -5,-0.1 -4,-0.1 -0.234 87.3 -75.6 -66.7 157.7 36.9 31.1 63.6 168 168 A P - 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0 0 22 -34,-2.9 3,-0.1 -2,-0.6 -2,-0.0 -0.892 38.1-133.3-122.5 148.6 -5.9 -45.3 59.9 987 483 B D S S- 0 0 165 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.839 95.0 -12.5 -62.4 -34.7 -7.5 -47.7 57.5 988 484 B Q S S- 0 0 134 -36,-0.1 -1,-0.3 -35,-0.1 -36,-0.1 -0.964 70.9-112.9-161.6 149.3 -7.4 -45.0 54.9 989 485 B L - 0 0 4 -2,-0.3 2,-0.4 -3,-0.1 -55,-0.0 -0.651 45.6-101.1 -79.3 148.3 -6.8 -41.2 54.7 990 486 B P + 0 0 26 0, 0.0 8,-3.1 0, 0.0 2,-0.3 -0.634 59.1 165.6 -71.5 124.8 -9.8 -39.2 53.7 991 487 B K B -Z 997 0L 46 -2,-0.4 6,-0.2 6,-0.3 2,-0.1 -0.967 33.4-124.6-142.5 152.1 -9.3 -38.4 50.0 992 488 B N > - 0 0 76 4,-2.1 3,-2.5 -2,-0.3 4,-0.3 -0.315 49.4 -84.4 -87.0 178.4 -11.2 -37.1 47.0 993 489 B A T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.690 128.5 63.9 -58.8 -19.4 -11.6 -38.8 43.6 994 490 B L T 3 S- 0 0 127 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.380 117.7-113.2 -80.9 0.5 -8.3 -37.3 42.6 995 491 B N S < S+ 0 0 101 -3,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.828 71.6 141.9 65.2 35.0 -6.6 -39.3 45.3 996 492 B K - 0 0 123 -4,-0.3 -4,-2.1 1,-0.0 -1,-0.3 -0.904 57.3-105.7-112.1 136.6 -5.8 -36.1 47.2 997 493 B V B -Z 991 0L 50 -2,-0.4 2,-1.8 -6,-0.2 -6,-0.3 -0.385 17.5-136.3 -68.6 125.1 -6.0 -35.9 51.0 998 494 B L > - 0 0 52 -8,-3.1 4,-2.1 1,-0.2 3,-0.3 -0.625 29.4-174.1 -77.7 84.5 -8.9 -33.9 52.4 999 495 B R H > S+ 0 0 119 -2,-1.8 4,-2.6 1,-0.2 5,-0.2 0.833 75.1 50.5 -58.9 -43.9 -6.7 -32.2 54.9 1000 496 B R H > S+ 0 0 211 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 112.2 49.0 -61.5 -42.2 -9.4 -30.3 56.9 1001 497 B Q H > S+ 0 0 105 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.868 111.5 49.9 -63.5 -41.3 -11.3 -33.6 57.4 1002 498 B L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.947 109.9 48.6 -62.8 -52.4 -8.1 -35.4 58.5 1003 499 B V H X S+ 0 0 40 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.905 114.0 48.3 -55.7 -43.7 -7.2 -32.8 61.1 1004 500 B Q H < S+ 0 0 154 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.897 109.3 52.7 -61.3 -44.9 -10.8 -32.9 62.4 1005 501 B Q H < S+ 0 0 117 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.836 118.7 34.9 -60.8 -36.7 -10.8 -36.7 62.5 1006 502 B V H < 0 0 13 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.652 360.0 360.0 -97.4 -18.6 -7.5 -36.9 64.6 1007 503 B S < 0 0 98 -4,-2.0 -68,-0.0 -5,-0.2 0, 0.0 -0.657 360.0 360.0 -82.5 360.0 -8.1 -33.7 66.7