==== 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 LYASE 02-APR-96 1NZY . COMPND 2 MOLECULE: 4-CHLOROBENZOYL COENZYME A DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR M.M.BENNING,H.M.HOLDEN . 806 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 627 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 52 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 41.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 3 0 0 3 3 2 3 0 0 0 4 0 4 4 0 0 2 0 0 0 0 3 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 6 0 3 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 0 0 3 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 3 0 3 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 1 A M 0 0 161 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.7 13.3 91.3 26.4 2 2 A Y - 0 0 33 1,-0.1 5,-0.1 5,-0.1 29,-0.0 -0.476 360.0-163.2 -74.1 146.5 13.5 94.5 28.4 3 3 A E S S+ 0 0 155 -2,-0.1 -1,-0.1 27,-0.1 28,-0.1 0.520 80.0 35.2-108.8 -5.7 14.4 97.6 26.5 4 4 A A S S+ 0 0 26 26,-0.2 15,-0.6 27,-0.1 2,-0.3 0.350 112.4 47.8-129.6 5.4 15.4 100.1 29.2 5 5 A I E S-A 18 0A 9 13,-0.1 2,-0.4 29,-0.0 13,-0.2 -0.921 76.1-118.1-138.0 164.8 17.2 98.1 31.8 6 6 A G E +A 17 0A 14 11,-2.6 11,-2.4 -2,-0.3 2,-0.4 -0.814 39.1 178.3-101.2 144.9 19.8 95.4 31.8 7 7 A H E +A 16 0A 69 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.977 11.4 157.9-152.2 139.1 18.7 92.1 33.2 8 8 A R E -A 15 0A 92 7,-1.7 7,-4.0 -2,-0.4 2,-0.5 -0.975 24.3-149.9-160.8 149.0 20.1 88.7 33.8 9 9 A V E +A 14 0A 55 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.973 35.7 141.9-123.7 113.8 19.5 85.7 35.9 10 10 A E E > +A 13 0A 88 3,-2.2 3,-2.1 -2,-0.5 -2,-0.1 -0.994 62.0 8.7-150.4 144.9 22.5 83.5 36.7 11 11 A D T 3 S- 0 0 108 -2,-0.3 192,-0.1 1,-0.3 193,-0.1 0.770 130.4 -55.7 56.6 29.1 23.7 81.6 39.6 12 12 A G T 3 S+ 0 0 19 1,-0.2 37,-3.5 35,-0.1 38,-1.5 0.426 114.4 115.7 83.5 1.1 20.4 82.1 41.4 13 13 A V E < -Ab 10 50A 0 -3,-2.1 -3,-2.2 35,-0.2 2,-0.7 -0.913 54.3-154.7-111.9 130.3 20.7 85.9 41.1 14 14 A A E -Ab 9 51A 1 36,-2.6 38,-2.7 -2,-0.5 2,-0.6 -0.901 22.3-159.4 -99.1 114.3 18.4 88.1 39.2 15 15 A E E -Ab 8 52A 21 -7,-4.0 -7,-1.7 -2,-0.7 2,-0.6 -0.877 8.9-167.8-104.0 120.6 20.5 91.1 38.4 16 16 A I E -Ab 7 53A 1 36,-3.6 38,-2.4 -2,-0.6 2,-0.6 -0.917 5.9-163.9-106.6 121.4 18.8 94.4 37.5 17 17 A T E -Ab 6 54A 20 -11,-2.4 -11,-2.6 -2,-0.6 2,-0.6 -0.924 16.9-138.5-111.3 122.3 21.1 97.0 36.0 18 18 A I E -Ab 5 55A 4 36,-3.3 38,-2.5 -2,-0.6 2,-0.5 -0.661 32.4-168.8 -75.3 119.5 19.9 100.7 35.9 19 19 A K + 0 0 122 -15,-0.6 -1,-0.1 -2,-0.6 3,-0.1 -0.736 46.9 100.1-126.1 88.5 21.2 101.6 32.5 20 20 A L > > + 0 0 36 -2,-0.5 3,-2.8 36,-0.1 5,-2.1 -0.301 36.7 166.5-157.6 52.3 21.3 105.1 31.0 21 21 A P G > 5 + 0 0 33 0, 0.0 3,-1.9 0, 0.0 37,-0.1 0.758 69.3 63.9 -44.2 -38.6 25.0 105.8 31.6 22 22 A R G 3 5S+ 0 0 173 1,-0.3 -3,-0.0 2,-0.1 -2,-0.0 0.756 111.8 38.6 -62.6 -23.3 25.0 108.9 29.4 23 23 A H G X 5S- 0 0 43 -3,-2.8 3,-1.2 3,-0.1 -1,-0.3 -0.151 125.7 -98.3-119.1 33.0 22.7 110.4 31.9 24 24 A R T < 5S- 0 0 153 -3,-1.9 38,-1.2 1,-0.3 -2,-0.1 0.758 71.5 -67.1 58.0 31.7 24.2 109.0 34.9 25 25 A N T 3 - 0 0 17 -2,-0.7 4,-2.4 -24,-0.2 5,-0.2 -0.285 29.0-110.3 -72.8 158.6 13.1 106.8 33.1 29 29 A V H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.920 121.4 50.1 -57.9 -42.9 9.4 106.0 33.5 30 30 A K H > S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.955 110.4 50.5 -61.9 -45.4 9.8 103.1 31.1 31 31 A A H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.888 106.1 53.8 -60.7 -41.1 12.8 101.8 33.0 32 32 A M H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.885 106.5 52.3 -63.0 -38.7 11.0 101.9 36.3 33 33 A Q H X S+ 0 0 62 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.911 109.4 50.6 -62.9 -40.4 8.1 99.9 35.0 34 34 A E H X S+ 0 0 10 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.901 106.8 54.0 -65.0 -40.4 10.6 97.2 33.8 35 35 A V H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.937 110.0 47.1 -60.7 -43.6 12.4 97.1 37.2 36 36 A T H X S+ 0 0 21 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.959 111.8 50.4 -63.5 -43.9 9.1 96.4 38.9 37 37 A D H X S+ 0 0 48 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.933 109.9 51.0 -56.5 -44.6 8.2 93.8 36.3 38 38 A A H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -1,-0.3 0.868 108.2 52.1 -61.5 -34.7 11.6 92.2 36.9 39 39 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.905 109.0 49.7 -69.6 -39.7 11.0 92.2 40.6 40 40 A N H X S+ 0 0 54 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.915 111.5 49.9 -64.0 -42.1 7.7 90.4 40.1 41 41 A R H >X S+ 0 0 118 -4,-2.8 4,-0.6 -5,-0.2 3,-0.6 0.908 106.3 54.3 -64.3 -39.3 9.3 87.9 37.9 42 42 A A H >< S+ 0 0 5 -4,-2.1 3,-0.8 1,-0.3 6,-0.3 0.876 104.7 54.0 -61.5 -37.4 12.1 87.2 40.3 43 43 A E H 3< S+ 0 0 44 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.737 111.2 47.2 -68.9 -24.9 9.7 86.4 43.1 44 44 A E H << S+ 0 0 145 -4,-0.9 2,-0.8 -3,-0.6 -1,-0.2 0.476 91.8 95.0 -96.7 -3.3 8.0 83.9 40.8 45 45 A D X< - 0 0 61 -3,-0.8 3,-2.5 -4,-0.6 -1,-0.0 -0.793 56.8-161.4 -96.5 111.8 11.2 82.2 39.6 46 46 A D T 3 S+ 0 0 158 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.0 0.771 92.8 58.6 -58.8 -26.0 12.1 79.1 41.5 47 47 A S T 3 S+ 0 0 71 -3,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.398 89.9 85.7 -83.9 -0.2 15.6 79.4 40.3 48 48 A V < + 0 0 4 -3,-2.5 -35,-0.2 -6,-0.3 3,-0.1 -0.917 41.1 167.2-107.6 125.4 16.1 83.0 41.7 49 49 A G + 0 0 6 -37,-3.5 2,-0.3 -2,-0.6 -36,-0.2 0.547 67.2 9.3-107.6 -14.6 17.2 83.2 45.3 50 50 A A E -b 13 0A 0 -38,-1.5 -36,-2.6 51,-0.2 2,-0.4 -0.985 61.9-132.9-161.1 157.6 18.2 86.9 45.4 51 51 A V E -bc 14 103A 0 51,-2.8 53,-2.5 -2,-0.3 2,-0.4 -0.920 14.9-163.6-117.6 146.2 17.9 90.1 43.5 52 52 A M E -bc 15 104A 4 -38,-2.7 -36,-3.6 -2,-0.4 2,-0.5 -0.995 1.0-164.5-129.6 130.1 20.8 92.5 42.9 53 53 A I E +bc 16 105A 3 51,-2.7 53,-2.9 -2,-0.4 2,-0.3 -0.950 24.3 146.2-114.3 134.0 20.2 96.0 41.7 54 54 A T E -bc 17 106A 2 -38,-2.4 -36,-3.3 -2,-0.5 2,-0.3 -0.919 39.5-107.5-152.3 173.5 23.2 98.0 40.4 55 55 A G E -b 18 0A 1 51,-0.6 -36,-0.2 -2,-0.3 2,-0.1 -0.755 32.3-105.8-111.5 158.5 24.0 100.7 37.8 56 56 A A S > S- 0 0 15 -38,-2.5 3,-1.4 -2,-0.3 -36,-0.1 -0.439 82.2 -16.7 -75.8 151.3 25.8 100.5 34.5 57 57 A E T 3 S- 0 0 134 1,-0.2 -2,-0.1 -2,-0.1 51,-0.0 -0.210 124.1 -25.4 56.7-130.5 29.3 101.8 34.3 58 58 A D T 3 S+ 0 0 103 -37,-0.1 52,-0.5 51,-0.0 2,-0.3 0.322 115.2 73.9-108.7 14.8 30.3 104.1 37.0 59 59 A A < - 0 0 6 -3,-1.4 49,-0.2 50,-0.2 52,-0.1 -0.914 55.8-156.5-121.7 150.2 27.1 105.6 38.3 60 60 A F S S- 0 0 0 50,-1.6 2,-0.3 -2,-0.3 51,-0.2 0.916 70.7 -43.0 -85.4 -69.4 24.5 103.9 40.5 61 61 A C B -g 111 0C 0 49,-2.2 51,-2.6 -6,-0.1 -35,-0.2 -0.825 37.5-153.8-167.5 121.1 21.4 106.0 39.7 62 62 A A - 0 0 35 -38,-1.2 -36,-0.2 -2,-0.3 2,-0.2 0.261 45.6-128.3 -81.1 8.0 21.0 109.8 39.5 63 63 A G + 0 0 1 -38,-0.4 -36,-2.1 50,-0.2 -1,-0.2 -0.498 69.9 31.9 87.6-147.3 17.3 109.7 40.4 64 64 A F B S-f 27 0B 37 -2,-0.2 2,-1.6 -38,-0.2 -36,-0.1 -0.106 78.0-120.6 -48.6 139.9 14.5 111.3 38.6 65 65 A Y > + 0 0 28 -38,-0.8 3,-1.4 1,-0.2 -1,-0.1 -0.674 35.9 179.4 -90.1 89.5 15.0 111.4 34.8 66 66 A L G > + 0 0 24 -2,-1.6 3,-1.0 1,-0.3 -1,-0.2 0.640 69.5 68.0 -63.3 -25.2 14.8 115.2 34.5 67 67 A R G 3 S+ 0 0 139 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.522 93.3 59.5 -78.9 -4.1 15.3 115.2 30.8 68 68 A E G < S+ 0 0 64 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.358 75.4 112.8-107.0 12.7 12.0 113.6 30.2 69 69 A I S < S- 0 0 10 -3,-1.0 9,-0.1 1,-0.1 2,-0.1 -0.703 74.2-116.9 -82.6 129.2 10.0 116.3 31.8 70 70 A P + 0 0 29 0, 0.0 3,-0.1 0, 0.0 11,-0.1 -0.422 32.0 178.7 -67.5 138.3 7.9 118.2 29.2 71 71 A L S S+ 0 0 103 -2,-0.1 3,-0.3 1,-0.1 7,-0.1 0.458 72.1 61.7-117.2 -7.1 8.7 121.8 28.8 72 72 A D S S+ 0 0 121 1,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.147 94.8 62.7-110.5 31.8 6.2 122.9 26.0 73 73 A K S > S- 0 0 132 1,-0.2 4,-1.9 -3,-0.1 3,-0.3 0.135 95.4-123.6-143.4 19.7 3.0 122.1 28.0 74 74 A G H > - 0 0 48 -3,-0.3 4,-2.2 2,-0.2 3,-0.2 -0.009 54.8 -43.9 67.2-172.0 3.0 124.4 30.9 75 75 A V H > S+ 0 0 77 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.816 138.7 59.3 -61.6 -29.3 2.7 123.7 34.6 76 76 A A H > S+ 0 0 58 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.920 104.2 48.7 -64.8 -44.5 0.0 121.3 33.7 77 77 A G H X S+ 0 0 8 -4,-1.9 4,-1.9 -3,-0.2 -2,-0.2 0.837 114.7 47.2 -61.8 -39.1 2.4 119.3 31.4 78 78 A V H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.979 112.6 46.9 -65.2 -56.5 4.9 119.3 34.2 79 79 A R H X S+ 0 0 79 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.874 112.0 52.8 -52.7 -44.3 2.4 118.3 36.9 80 80 A D H X S+ 0 0 95 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.893 107.9 48.8 -63.4 -42.4 1.1 115.6 34.6 81 81 A H H X S+ 0 0 24 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.956 110.8 50.6 -64.8 -44.4 4.4 114.1 34.0 82 82 A F H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.867 105.5 56.0 -62.2 -33.3 5.3 114.0 37.7 83 83 A R H X S+ 0 0 126 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.940 113.3 42.3 -63.8 -41.8 2.0 112.3 38.6 84 84 A I H X S+ 0 0 88 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.947 116.7 45.0 -66.9 -51.6 2.8 109.5 36.2 85 85 A A H X S+ 0 0 1 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.901 111.3 55.5 -60.5 -38.4 6.5 109.2 37.1 86 86 A A H X S+ 0 0 1 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.854 105.1 52.0 -63.6 -35.8 5.5 109.4 40.7 87 87 A L H X S+ 0 0 79 -4,-1.5 4,-2.3 -5,-0.2 5,-0.2 0.968 115.1 41.7 -65.6 -50.1 3.2 106.4 40.4 88 88 A W H X S+ 0 0 80 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.885 109.7 55.6 -68.5 -36.6 5.8 104.3 38.8 89 89 A W H X S+ 0 0 5 -4,-3.2 4,-2.3 -5,-0.2 -1,-0.2 0.905 115.0 41.2 -59.7 -41.5 8.7 105.4 41.1 90 90 A H H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.832 107.4 58.0 -77.5 -32.2 6.6 104.3 44.1 91 91 A Q H X S+ 0 0 91 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.944 113.7 43.4 -61.1 -39.9 5.2 101.2 42.7 92 92 A M H X S+ 0 0 1 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.931 113.8 48.4 -68.2 -48.8 8.9 100.2 42.2 93 93 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.937 112.3 48.5 -59.7 -46.4 10.1 101.3 45.6 94 94 A H H X S+ 0 0 22 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.913 109.6 54.8 -60.7 -39.7 7.3 99.6 47.3 95 95 A K H X S+ 0 0 36 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.854 103.3 54.6 -63.2 -36.9 8.1 96.4 45.3 96 96 A I H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.923 114.1 42.1 -61.8 -40.1 11.7 96.5 46.4 97 97 A I H < S+ 0 0 5 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.833 122.3 36.9 -73.1 -36.5 10.4 96.5 50.0 98 98 A R H < S+ 0 0 104 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.628 83.8 120.8 -94.1 -15.6 7.7 93.9 49.6 99 99 A V < - 0 0 1 -4,-2.4 2,-1.7 -5,-0.2 4,-0.1 -0.248 69.2-125.1 -53.8 136.3 9.3 91.5 47.1 100 100 A K S S+ 0 0 96 -60,-0.1 111,-0.2 2,-0.1 -1,-0.2 -0.272 87.0 73.5 -79.5 51.4 9.6 87.9 48.5 101 101 A R S S- 0 0 25 -2,-1.7 2,-0.2 -5,-0.2 -51,-0.2 -0.959 91.5-101.7-156.1 148.6 13.4 87.8 47.8 102 102 A P - 0 0 3 0, 0.0 -51,-2.8 0, 0.0 2,-0.5 -0.538 38.9-150.7 -74.6 140.2 16.3 89.5 49.6 103 103 A V E -c 51 0A 0 -2,-0.2 21,-2.0 -53,-0.2 20,-1.4 -0.964 7.1-161.2-118.8 123.8 17.4 92.6 47.5 104 104 A L E -cd 52 124A 0 -53,-2.5 -51,-2.7 -2,-0.5 2,-0.8 -0.926 9.4-147.8-108.4 126.1 21.1 93.7 47.5 105 105 A A E -cd 53 125A 0 19,-3.5 21,-2.1 -2,-0.5 2,-1.1 -0.860 8.2-163.7 -94.3 114.9 21.8 97.2 46.4 106 106 A A E -cd 54 126A 0 -53,-2.9 2,-1.3 -2,-0.8 -51,-0.6 -0.795 9.7-161.3 -99.6 86.0 25.3 97.1 44.8 107 107 A I E + d 0 127A 0 19,-2.3 21,-2.3 -2,-1.1 24,-0.2 -0.612 20.0 168.6 -78.2 92.7 26.1 100.8 44.8 108 108 A N - 0 0 8 -2,-1.3 2,-0.3 19,-0.2 -1,-0.2 0.145 64.2 -17.8 -89.4 12.5 28.9 101.2 42.2 109 109 A G S S- 0 0 1 -50,-0.1 23,-0.8 23,-0.1 -50,-0.2 -0.956 106.5 -3.5 176.0-158.0 28.8 105.0 42.0 110 110 A V E - 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0 0 9 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.892 62.5-110.0-113.4 139.8 11.6 113.3 89.0 413 143 B G - 0 0 0 362,-0.4 336,-0.1 -2,-0.3 363,-0.1 -0.342 46.8 -98.0 -64.7 141.2 10.1 111.1 86.2 414 144 B N + 0 0 0 335,-0.3 2,-0.2 1,-0.1 362,-0.1 -0.281 59.9 140.0 -63.0 141.1 11.6 111.8 82.7 415 145 B D > + 0 0 15 1,-0.1 3,-1.5 -3,-0.1 -1,-0.1 -0.541 24.7 105.4-150.9-144.7 9.7 114.0 80.4 416 146 B T T 3 S- 0 0 2 1,-0.3 -1,-0.1 -2,-0.2 -25,-0.1 0.811 116.6 -62.1 57.9 32.5 10.1 116.8 77.8 417 147 B A T >> S+ 0 0 0 -3,-0.1 4,-2.7 348,-0.1 3,-1.7 0.708 96.8 139.0 68.8 21.4 9.4 114.2 75.1 418 148 B T H <> + 0 0 0 -3,-1.5 4,-1.0 1,-0.3 5,-0.5 0.807 69.6 58.4 -67.7 -24.5 12.4 112.2 76.0 419 149 B S H 34 S+ 0 0 2 2,-0.1 -1,-0.3 3,-0.1 -3,-0.1 0.465 115.7 36.2 -83.1 3.1 10.4 109.1 75.5 420 150 B Y H <> S+ 0 0 3 -3,-1.7 4,-0.7 342,-0.1 -2,-0.2 0.697 124.2 33.6-109.0 -62.6 9.7 110.2 72.0 421 151 B S H X S+ 0 0 5 -4,-2.7 4,-1.1 2,-0.2 -3,-0.2 0.806 104.9 61.5 -71.8 -41.9 12.9 111.9 70.8 422 152 B L H >X S+ 0 0 0 -4,-1.0 4,-3.6 -5,-0.3 3,-0.7 0.951 108.7 40.0 -57.1 -54.9 15.8 110.1 72.4 423 153 B A H 3> S+ 0 0 5 -5,-0.5 4,-2.0 1,-0.3 -1,-0.2 0.824 109.5 62.6 -65.2 -30.6 15.4 106.7 71.0 424 154 B R H 3< S+ 0 0 3 -4,-0.7 -266,-2.6 1,-0.2 -1,-0.3 0.816 116.9 30.3 -64.7 -27.0 14.4 108.1 67.6 425 155 B I H << S+ 0 0 17 -4,-1.1 -2,-0.2 -3,-0.7 -265,-0.2 0.882 135.5 22.2 -97.7 -45.0 17.8 109.7 67.5 426 156 B V H < S- 0 0 12 -4,-3.6 4,-0.5 1,-0.2 -3,-0.2 0.425 104.7-107.8-105.8 -1.0 20.2 107.2 69.4 427 157 B G X - 0 0 13 -4,-2.0 4,-1.6 -5,-0.4 268,-0.2 -0.030 41.1 -77.3 90.7 157.8 18.4 103.9 69.3 428 158 B M H > S+ 0 0 8 266,-3.0 4,-2.1 1,-0.2 267,-0.2 0.831 123.2 52.4 -65.4 -36.6 16.7 102.3 72.3 429 159 B R H > S+ 0 0 8 265,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.936 111.2 44.2 -66.9 -48.4 19.7 100.9 74.1 430 160 B R H > S+ 0 0 38 -4,-0.5 4,-2.5 1,-0.2 5,-0.3 0.856 113.9 52.9 -65.0 -35.6 21.7 104.2 74.2 431 161 B A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.963 110.5 46.4 -64.1 -46.2 18.6 106.0 75.2 432 162 B M H X S+ 0 0 6 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.911 112.3 51.4 -60.0 -41.8 18.0 103.6 78.0 433 163 B E H X S+ 0 0 3 -4,-2.5 4,-3.3 1,-0.2 5,-0.4 0.959 107.2 50.6 -62.0 -52.0 21.5 103.8 79.2 434 164 B L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 5,-0.4 0.905 114.3 44.5 -55.3 -44.4 21.8 107.5 79.3 435 165 B M H < S+ 0 0 0 -4,-2.0 -27,-0.3 -5,-0.3 -1,-0.2 0.886 116.8 44.3 -68.8 -41.0 18.6 107.8 81.3 436 166 B L H < S+ 0 0 4 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.853 119.5 38.9 -75.0 -37.7 19.4 105.0 83.7 437 167 B T H < S- 0 0 0 -4,-3.3 365,-2.4 -5,-0.3 366,-1.6 0.805 87.8-146.7 -84.9 -23.6 23.0 105.8 84.4 438 168 B D < + 0 0 0 -4,-1.7 -3,-0.1 -5,-0.4 -4,-0.1 0.752 41.8 162.8 62.5 24.2 22.5 109.6 84.5 439 169 B R - 0 0 31 -5,-0.4 2,-0.6 -6,-0.3 -34,-0.5 -0.208 42.2-110.3 -66.9 160.6 26.0 109.7 83.0 440 170 B T E -R 404 0F 18 -36,-0.1 2,-0.6 359,-0.1 -36,-0.2 -0.851 26.3-146.5-101.9 125.1 27.2 112.9 81.4 441 171 B L E -R 403 0F 0 -38,-3.4 -38,-2.4 -2,-0.6 -7,-0.0 -0.798 11.8-152.1 -95.7 123.5 27.7 112.7 77.7 442 172 B Y > - 0 0 126 -2,-0.6 4,-2.9 -40,-0.2 3,-0.3 -0.466 30.5 -97.7 -90.1 162.1 30.5 114.7 76.1 443 173 B P H > S+ 0 0 10 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.832 117.6 51.8 -48.6 -45.3 30.7 116.2 72.7 444 174 B E H > S+ 0 0 171 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.940 115.1 42.3 -61.8 -44.4 32.7 113.5 71.0 445 175 B E H > S+ 0 0 46 -3,-0.3 4,-2.4 2,-0.2 6,-0.2 0.885 112.1 54.4 -68.7 -38.0 30.4 110.8 72.2 446 176 B A H X>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.2 4,-1.1 0.912 109.9 48.2 -62.9 -39.6 27.3 112.9 71.5 447 177 B K H ><5S+ 0 0 68 -4,-2.6 3,-0.9 -5,-0.3 -1,-0.2 0.962 110.0 50.7 -65.4 -45.7 28.5 113.3 67.9 448 178 B D H 3<5S+ 0 0 64 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.896 110.1 51.5 -56.5 -39.9 29.2 109.6 67.6 449 179 B W H 3<5S- 0 0 14 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.659 115.6-115.9 -70.5 -21.1 25.7 108.9 68.9 450 180 B G T <<5S+ 0 0 3 -4,-1.1 -3,-0.2 -3,-0.9 -2,-0.1 0.519 82.3 124.6 91.0 8.9 24.2 111.2 66.4 451 181 B L S > - 0 0 31 0, 0.0 3,-2.5 0, 0.0 4,-1.7 -0.263 40.7-118.8 -56.3 135.9 35.7 125.1 69.3 458 188 B K H >> S+ 0 0 75 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.871 111.3 55.0 -41.4 -50.6 34.0 127.1 72.0 459 189 B D H 34 S+ 0 0 159 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.641 115.8 36.7 -63.1 -18.5 35.5 130.4 70.8 460 190 B E H <> S+ 0 0 112 -3,-2.5 4,-2.5 2,-0.1 -1,-0.2 0.534 90.9 95.1-111.1 -8.7 34.2 130.0 67.3 461 191 B F H S+ 0 0 160 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.900 114.1 48.2 -65.5 -41.9 29.8 132.5 64.8 464 194 B V H X S+ 0 0 23 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.929 113.3 47.5 -61.9 -46.7 29.6 129.1 63.2 465 195 B A H X S+ 0 0 2 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.869 108.5 54.7 -62.6 -40.8 26.1 128.5 64.5 466 196 B W H X S+ 0 0 35 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.903 109.8 46.9 -63.7 -40.1 24.9 131.9 63.4 467 197 B K H X S+ 0 0 90 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.928 111.0 51.4 -68.5 -43.0 26.0 131.3 59.8 468 198 B V H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.975 109.7 51.6 -58.1 -48.4 24.4 127.8 59.8 469 199 B A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.929 109.5 48.8 -52.0 -48.0 21.2 129.3 61.0 470 200 B R H X S+ 0 0 79 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.858 110.3 50.6 -64.2 -33.4 21.2 131.9 58.3 471 201 B E H X S+ 0 0 38 -4,-2.1 4,-1.6 -3,-0.3 -1,-0.2 0.900 109.9 49.9 -71.3 -38.3 21.9 129.3 55.6 472 202 B L H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.881 112.2 50.2 -63.9 -36.0 18.9 127.2 56.9 473 203 B A H < S+ 0 0 11 -4,-2.5 4,-0.2 -5,-0.3 -1,-0.2 0.904 109.1 50.8 -68.7 -39.4 16.8 130.3 56.8 474 204 B A H < S+ 0 0 87 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.766 93.2 88.9 -71.3 -25.6 17.9 131.1 53.3 475 205 B A S < S- 0 0 8 -4,-1.6 2,-0.5 1,-0.1 -309,-0.0 -0.364 102.3 -74.4 -71.4 159.3 17.1 127.7 52.0 476 206 B P > - 0 0 21 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.378 40.7-161.9 -58.7 103.4 13.5 126.9 50.7 477 207 B T H > S+ 0 0 37 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.825 85.0 61.5 -56.2 -38.9 11.2 126.7 53.8 478 208 B H H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 107.7 41.7 -58.0 -46.6 8.5 124.9 51.9 479 209 B L H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -335,-0.3 0.863 113.6 54.8 -67.4 -37.4 10.7 122.0 51.1 480 210 B Q H X S+ 0 0 4 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.895 108.6 47.4 -63.1 -42.7 12.2 122.0 54.6 481 211 B V H X S+ 0 0 15 -4,-3.0 4,-2.9 2,-0.2 5,-0.4 0.912 108.3 54.9 -66.6 -40.9 8.8 121.8 56.2 482 212 B M H X S+ 0 0 26 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.932 112.3 44.3 -54.4 -48.0 7.7 119.0 53.9 483 213 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.925 113.9 49.5 -62.9 -46.8 10.8 117.0 54.9 484 214 B K H X S+ 0 0 4 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.917 113.6 43.4 -61.3 -48.7 10.4 117.7 58.6 485 215 B E H X S+ 0 0 77 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.916 113.9 51.0 -67.2 -41.3 6.8 116.8 58.9 486 216 B R H X S+ 0 0 13 -4,-2.1 4,-3.2 -5,-0.4 5,-0.2 0.894 107.7 54.8 -63.8 -37.1 7.2 113.7 56.8 487 217 B F H X S+ 0 0 1 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.951 112.0 42.0 -62.4 -46.7 10.1 112.6 59.0 488 218 B H H < S+ 0 0 14 -4,-1.9 4,-0.4 2,-0.2 3,-0.3 0.959 121.7 41.1 -63.7 -47.3 8.2 112.8 62.2 489 219 B A H >< S+ 0 0 28 -4,-2.6 3,-1.5 1,-0.2 4,-0.2 0.949 111.1 55.4 -65.2 -50.2 5.1 111.2 60.6 490 220 B G H >< S+ 0 0 0 -4,-3.2 3,-1.1 1,-0.3 -1,-0.2 0.684 87.9 76.0 -58.7 -23.5 6.8 108.5 58.6 491 221 B W T 3< S+ 0 0 5 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.1 0.841 108.5 33.7 -56.2 -33.6 8.7 107.0 61.6 492 222 B M T < S+ 0 0 56 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.310 106.0 86.7-104.2 3.7 5.4 105.4 62.5 493 223 B Q S < S- 0 0 31 -3,-1.1 2,-0.0 -4,-0.2 -4,-0.0 -0.826 75.4-111.4-115.2 152.2 3.8 104.7 59.1 494 224 B P >> - 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