==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-SEP-01 1JXZ . COMPND 2 MOLECULE: 4-CHLOROBENZOYL COENZYME A DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP. CBS3; . AUTHOR J.B.THODEN,W.ZHANG,Y.WEI,L.LUO,K.L.TAYLOR,G.YANG,D.DUNAWAY- . 801 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 622 77.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 10.6 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 . 54 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 3 0 0 3 3 3 2 0 0 0 4 2 1 5 0 0 2 0 0 0 0 3 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 7 2 5 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 2 A Y 0 0 100 0, 0.0 5,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 149.2 13.5 94.6 28.4 2 3 A E + 0 0 156 27,-0.1 28,-0.1 3,-0.1 3,-0.1 0.582 360.0 35.7-113.2 -3.7 14.4 97.7 26.5 3 4 A A S S+ 0 0 26 26,-0.2 15,-0.6 27,-0.1 2,-0.3 0.392 112.6 49.2-124.6 -1.6 15.4 100.2 29.2 4 5 A I E S-A 17 0A 9 13,-0.1 2,-0.4 29,-0.0 13,-0.2 -0.912 76.2-118.2-134.9 162.5 17.2 98.0 31.8 5 6 A G E -A 16 0A 11 11,-2.4 11,-3.0 -2,-0.3 2,-0.3 -0.811 38.8-179.3 -97.8 138.4 19.9 95.4 31.9 6 7 A H E +A 15 0A 72 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.982 11.6 157.2-146.9 131.1 18.6 92.1 33.2 7 8 A R E -A 14 0A 92 7,-1.9 7,-3.8 -2,-0.3 2,-0.5 -0.963 23.6-153.6-156.5 142.1 20.2 88.7 33.8 8 9 A V E +A 13 0A 52 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.962 34.5 142.3-118.2 113.4 19.6 85.7 35.9 9 10 A E E > +A 12 0A 91 3,-2.2 3,-1.8 -2,-0.5 -2,-0.1 -0.987 61.0 9.6-151.5 143.4 22.6 83.6 36.8 10 11 A D T 3 S- 0 0 104 -2,-0.3 192,-0.1 1,-0.3 193,-0.1 0.790 130.2 -56.5 59.1 30.0 23.8 81.6 39.7 11 12 A G T 3 S+ 0 0 21 1,-0.2 37,-3.6 35,-0.1 38,-1.6 0.457 113.8 117.4 80.7 3.6 20.4 82.1 41.4 12 13 A V E < -Ab 9 49A 0 -3,-1.8 -3,-2.2 35,-0.2 2,-0.8 -0.913 55.3-152.4-110.8 129.3 20.7 85.9 41.2 13 14 A A E -Ab 8 50A 1 36,-2.7 38,-2.8 -2,-0.5 2,-0.7 -0.847 23.2-159.0 -92.8 110.5 18.3 88.1 39.3 14 15 A E E -Ab 7 51A 24 -7,-3.8 -7,-1.9 -2,-0.8 2,-0.6 -0.858 8.5-168.0-102.0 120.9 20.5 91.1 38.3 15 16 A I E -Ab 6 52A 1 36,-3.4 38,-2.6 -2,-0.7 2,-0.6 -0.913 5.0-163.2-107.5 120.7 18.8 94.3 37.5 16 17 A T E -Ab 5 53A 20 -11,-3.0 -11,-2.4 -2,-0.6 2,-0.5 -0.904 16.0-141.5-110.9 121.8 21.0 97.0 36.0 17 18 A I E -Ab 4 54A 3 36,-3.1 38,-3.1 -2,-0.6 2,-0.4 -0.634 30.5-172.4 -75.4 120.1 19.9 100.7 35.8 18 19 A K + 0 0 125 -15,-0.6 -1,-0.1 -2,-0.5 36,-0.1 -0.740 46.1 101.5-128.2 87.1 21.3 101.6 32.4 19 20 A L > > + 0 0 26 -2,-0.4 3,-2.5 36,-0.1 5,-1.7 -0.271 36.0 161.6-154.8 46.8 21.2 105.2 31.2 20 21 A P G > 5 + 0 0 32 0, 0.0 3,-1.9 0, 0.0 37,-0.1 0.749 67.3 65.0 -45.7 -35.4 24.9 105.8 31.8 21 22 A R G 3 5S+ 0 0 175 1,-0.3 -3,-0.0 2,-0.1 -2,-0.0 0.789 112.8 36.8 -62.2 -26.0 25.0 108.9 29.4 22 23 A H G X 5S- 0 0 51 -3,-2.5 3,-1.5 3,-0.1 -1,-0.3 -0.189 127.4 -97.1-118.6 36.3 22.6 110.5 31.9 23 24 A R T < 5S- 0 0 154 -3,-1.9 38,-1.3 1,-0.3 -2,-0.1 0.765 71.4 -66.2 55.0 36.3 24.1 109.0 35.0 24 25 A N T 3 - 0 0 17 -2,-0.6 4,-2.1 -24,-0.2 5,-0.2 -0.338 29.2-110.3 -78.4 160.9 13.0 106.7 33.1 28 29 A V H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.946 120.4 49.5 -56.7 -44.8 9.4 106.0 33.6 29 30 A K H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 108.9 52.1 -60.7 -42.2 9.7 103.0 31.2 30 31 A A H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 106.3 53.7 -63.5 -37.6 12.7 101.7 33.1 31 32 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.884 107.0 51.7 -65.7 -37.8 10.9 101.9 36.4 32 33 A Q H X S+ 0 0 67 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.926 111.1 48.5 -63.7 -39.4 8.1 99.8 34.9 33 34 A E H X S+ 0 0 13 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.865 108.2 53.0 -68.5 -39.2 10.6 97.2 33.8 34 35 A V H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.942 111.1 46.9 -62.4 -43.5 12.4 97.1 37.2 35 36 A T H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.970 112.5 49.4 -62.1 -45.8 9.1 96.4 38.9 36 37 A D H X S+ 0 0 50 -4,-2.4 4,-3.0 1,-0.3 -1,-0.2 0.934 111.2 50.7 -54.7 -45.9 8.2 93.7 36.3 37 38 A A H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.876 108.3 50.9 -61.8 -37.0 11.6 92.3 36.8 38 39 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.921 110.8 50.4 -69.2 -38.3 11.1 92.2 40.6 39 40 A N H X S+ 0 0 54 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.916 110.6 48.6 -62.7 -43.2 7.7 90.4 40.0 40 41 A R H X S+ 0 0 139 -4,-3.0 4,-0.6 -5,-0.2 3,-0.2 0.876 107.4 55.1 -64.8 -36.5 9.3 87.9 37.8 41 42 A A H >< S+ 0 0 3 -4,-2.0 3,-1.0 1,-0.2 6,-0.3 0.918 106.5 50.9 -60.2 -45.5 12.2 87.2 40.3 42 43 A E H 3< S+ 0 0 45 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.725 111.5 49.5 -62.6 -28.6 9.7 86.4 43.1 43 44 A E H 3< S+ 0 0 145 -4,-0.9 2,-0.7 -3,-0.2 -1,-0.3 0.541 93.4 92.2 -91.1 -8.3 8.0 84.0 40.8 44 45 A D X< - 0 0 59 -3,-1.0 3,-2.3 -4,-0.6 -1,-0.0 -0.780 55.8-163.9 -96.1 114.3 11.2 82.2 39.7 45 46 A D T 3 S+ 0 0 156 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.1 0.658 93.1 60.0 -66.2 -16.3 12.2 79.2 41.6 46 47 A S T 3 S+ 0 0 72 -5,-0.0 2,-0.6 -3,-0.0 -1,-0.3 0.438 89.8 85.5 -89.3 -2.4 15.6 79.5 40.2 47 48 A V < + 0 0 3 -3,-2.3 -35,-0.2 -6,-0.3 3,-0.1 -0.908 41.3 166.8-106.1 121.2 16.1 83.0 41.7 48 49 A G + 0 0 7 -37,-3.6 2,-0.3 -2,-0.6 -36,-0.2 0.565 67.8 8.4-100.8 -19.7 17.3 83.1 45.3 49 50 A A E -b 12 0A 0 -38,-1.6 -36,-2.7 51,-0.1 2,-0.4 -0.991 61.7-130.1-158.4 161.0 18.2 86.9 45.4 50 51 A V E -bc 13 102A 0 51,-2.9 53,-3.0 -2,-0.3 2,-0.4 -0.934 16.2-166.4-118.0 141.5 17.9 90.1 43.6 51 52 A M E -bc 14 103A 4 -38,-2.8 -36,-3.4 -2,-0.4 2,-0.5 -0.991 1.2-165.8-128.5 130.1 20.8 92.5 42.9 52 53 A I E +bc 15 104A 3 51,-2.6 53,-3.0 -2,-0.4 2,-0.3 -0.955 22.8 149.4-114.8 131.2 20.3 96.0 41.7 53 54 A T E -b 16 0A 3 -38,-2.6 -36,-3.1 -2,-0.5 2,-0.3 -0.876 38.3-109.7-148.0 175.5 23.3 97.9 40.3 54 55 A G E -b 17 0A 1 51,-0.5 -36,-0.2 -2,-0.3 2,-0.2 -0.778 33.1-103.5-112.4 157.8 24.0 100.7 37.7 55 56 A A S > S- 0 0 15 -38,-3.1 3,-1.3 -2,-0.3 -36,-0.1 -0.503 83.9 -18.9 -76.7 144.4 25.7 100.5 34.4 56 57 A E T 3 S- 0 0 128 1,-0.2 -2,-0.1 -2,-0.2 -38,-0.0 -0.332 123.8 -23.8 62.0-128.2 29.2 101.8 34.2 57 58 A D T 3 S+ 0 0 103 -2,-0.1 52,-0.5 -37,-0.1 2,-0.3 0.277 115.4 73.6-109.2 16.2 30.3 104.1 37.0 58 59 A A < - 0 0 7 -3,-1.3 49,-0.1 50,-0.3 52,-0.1 -0.917 56.0-158.0-124.6 149.0 27.1 105.6 38.4 59 60 A F S S- 0 0 0 50,-1.6 2,-0.3 -2,-0.3 -4,-0.2 0.908 70.6 -39.9 -86.1 -70.7 24.5 103.9 40.5 60 61 A C B -g 110 0C 0 49,-2.1 51,-2.6 -6,-0.1 -36,-0.2 -0.842 37.3-155.9-166.3 124.7 21.5 106.0 39.8 61 62 A A - 0 0 35 -38,-1.3 2,-0.2 1,-0.3 -36,-0.2 0.314 46.8-129.1 -81.9 2.3 21.1 109.8 39.5 62 63 A G + 0 0 1 -38,-0.4 -36,-2.6 50,-0.2 -1,-0.3 -0.581 68.6 30.2 88.4-148.0 17.4 109.6 40.5 63 64 A F B S-f 26 0B 37 -2,-0.2 2,-1.6 -38,-0.2 -36,-0.1 -0.147 78.3-119.7 -52.4 139.2 14.5 111.2 38.6 64 65 A Y > + 0 0 26 -38,-0.9 3,-1.3 1,-0.2 -1,-0.1 -0.669 34.7 179.9 -86.8 93.5 15.0 111.4 34.9 65 66 A L G > + 0 0 24 -2,-1.6 3,-1.0 1,-0.3 -1,-0.2 0.704 69.5 70.5 -69.2 -21.8 14.7 115.1 34.6 66 67 A R G 3 S+ 0 0 135 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.460 92.9 57.9 -78.4 2.1 15.2 115.1 30.9 67 68 A E G < S+ 0 0 67 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.399 75.4 110.8-111.8 4.0 11.9 113.6 30.2 68 69 A I S < S- 0 0 10 -3,-1.0 2,-0.2 -4,-0.1 9,-0.1 -0.653 75.3-116.7 -77.8 129.8 9.8 116.2 31.9 69 70 A P + 0 0 33 0, 0.0 3,-0.2 0, 0.0 11,-0.1 -0.502 31.3 179.9 -71.8 130.5 7.8 118.2 29.3 70 71 A L S S+ 0 0 102 -2,-0.2 3,-0.2 1,-0.1 7,-0.1 0.470 73.2 61.2-106.8 -6.9 8.8 121.9 29.1 71 72 A D S S+ 0 0 134 1,-0.1 -1,-0.1 2,-0.1 0, 0.0 0.045 93.5 63.1-107.4 18.4 6.3 123.0 26.4 72 73 A K S > S- 0 0 129 1,-0.3 4,-1.7 -3,-0.2 3,-0.3 0.184 94.7-122.2-131.3 20.6 3.0 122.2 28.1 73 74 A G H > - 0 0 45 -3,-0.2 4,-2.1 2,-0.2 -1,-0.3 -0.097 54.1 -43.2 73.0-176.0 2.9 124.3 31.1 74 75 A V H > S+ 0 0 77 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.865 136.6 58.5 -59.1 -36.0 2.5 123.6 34.7 75 76 A A H > S+ 0 0 57 -3,-0.3 4,-3.7 2,-0.2 5,-0.2 0.931 104.9 47.7 -57.8 -52.3 -0.1 121.0 33.7 76 77 A G H X S+ 0 0 8 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.863 114.8 47.3 -58.9 -37.7 2.2 119.1 31.5 77 78 A V H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.965 113.6 46.2 -69.4 -49.7 4.7 119.2 34.3 78 79 A R H X S+ 0 0 77 -4,-3.5 4,-1.9 1,-0.2 -2,-0.2 0.888 113.0 52.4 -58.9 -40.9 2.1 118.1 36.9 79 80 A D H X S+ 0 0 91 -4,-3.7 4,-1.6 -5,-0.2 -1,-0.2 0.882 108.9 47.8 -62.7 -43.0 0.9 115.4 34.7 80 81 A H H X S+ 0 0 25 -4,-1.9 4,-3.1 -5,-0.2 5,-0.3 0.939 111.6 49.7 -65.7 -45.1 4.3 114.0 34.0 81 82 A F H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.855 104.9 58.6 -63.7 -31.1 5.2 113.9 37.7 82 83 A R H X S+ 0 0 131 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.926 113.6 39.3 -64.0 -41.9 1.9 112.2 38.6 83 84 A I H X S+ 0 0 91 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.933 119.2 43.3 -72.4 -49.1 2.9 109.3 36.3 84 85 A A H X S+ 0 0 2 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.903 112.7 54.2 -65.4 -36.3 6.6 109.1 37.0 85 86 A A H X S+ 0 0 1 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.880 105.2 54.4 -63.7 -34.9 5.9 109.5 40.8 86 87 A L H X S+ 0 0 71 -4,-1.3 4,-2.9 -5,-0.2 -1,-0.2 0.903 110.5 46.3 -63.8 -41.3 3.5 106.6 40.6 87 88 A W H X S+ 0 0 62 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.863 108.1 53.1 -71.5 -35.2 6.2 104.4 39.0 88 89 A W H X S+ 0 0 5 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.923 114.3 48.3 -61.2 -38.5 8.9 105.4 41.5 89 90 A Q H X S+ 0 0 26 -4,-1.8 4,-2.6 -5,-0.2 5,-0.3 0.942 109.0 49.1 -64.2 -52.5 6.3 104.3 44.0 90 91 A Q H X S+ 0 0 70 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.928 116.8 43.1 -55.4 -46.2 5.5 101.1 42.5 91 92 A M H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.914 114.0 47.5 -66.3 -50.7 9.1 100.2 42.2 92 93 A I H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.944 113.7 49.0 -59.8 -44.4 10.2 101.3 45.6 93 94 A H H X S+ 0 0 22 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.917 109.6 52.9 -60.4 -43.0 7.3 99.6 47.2 94 95 A K H X S+ 0 0 35 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.847 104.4 56.0 -61.8 -34.0 8.1 96.4 45.3 95 96 A I H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.927 113.8 40.2 -63.3 -42.1 11.7 96.5 46.5 96 97 A I H < S+ 0 0 5 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.800 123.7 37.6 -75.1 -31.9 10.4 96.5 50.1 97 98 A R H < S+ 0 0 103 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.654 84.4 118.8 -96.6 -18.2 7.6 94.0 49.6 98 99 A V < - 0 0 1 -4,-2.5 2,-1.7 -5,-0.2 4,-0.1 -0.240 69.2-125.6 -53.4 137.4 9.3 91.5 47.1 99 100 A K S S+ 0 0 96 2,-0.1 111,-0.2 114,-0.0 -1,-0.1 -0.322 86.8 72.6 -82.0 54.6 9.6 87.9 48.5 100 101 A R S S- 0 0 25 -2,-1.7 2,-0.2 -5,-0.2 -51,-0.1 -0.944 91.0-101.9-159.4 147.2 13.4 87.8 47.9 101 102 A P - 0 0 3 0, 0.0 -51,-2.9 0, 0.0 2,-0.5 -0.575 37.6-148.9 -76.0 140.4 16.3 89.5 49.5 102 103 A V E -c 50 0A 0 -2,-0.2 21,-2.0 -53,-0.2 20,-1.2 -0.955 6.8-159.9-118.1 122.3 17.5 92.5 47.5 103 104 A L E -cd 51 123A 0 -53,-3.0 -51,-2.6 -2,-0.5 2,-0.8 -0.886 8.5-150.0-103.5 121.8 21.1 93.6 47.5 104 105 A A E -cd 52 124A 0 19,-3.3 21,-1.9 -2,-0.6 2,-1.1 -0.808 9.2-163.6 -88.3 113.5 21.8 97.2 46.4 105 106 A A E - d 0 125A 1 -53,-3.0 2,-1.3 -2,-0.8 -51,-0.5 -0.774 9.2-159.6 -99.0 91.5 25.3 97.0 44.8 106 107 A I E + d 0 126A 0 19,-2.6 21,-2.6 -2,-1.1 24,-0.2 -0.598 21.4 168.1 -79.6 93.9 26.1 100.8 44.8 107 108 A N - 0 0 6 -2,-1.3 2,-0.3 19,-0.2 -1,-0.2 0.353 63.6 -17.3 -88.4 4.1 28.8 101.2 42.1 108 109 A G S S- 0 0 1 23,-0.1 23,-0.5 19,-0.1 -50,-0.3 -0.920 106.7 -4.9-178.0-161.6 28.8 105.0 41.9 109 110 A V E - 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0 0 13 -4,-1.7 4,-1.3 -5,-0.4 -1,-0.2 -0.071 41.1 -79.7 91.8 155.9 18.5 104.0 69.3 427 158 B M H > S+ 0 0 11 266,-2.7 4,-1.8 2,-0.2 267,-0.2 0.799 122.0 53.9 -71.2 -28.4 16.8 102.4 72.2 428 159 B R H > S+ 0 0 8 265,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.944 111.1 42.7 -71.4 -51.0 19.7 101.0 74.0 429 160 B R H X S+ 0 0 39 -4,-0.5 4,-2.3 1,-0.2 5,-0.3 0.812 113.8 54.9 -66.1 -30.5 21.8 104.2 74.3 430 161 B A H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.949 110.5 45.2 -66.1 -44.5 18.6 106.0 75.2 431 162 B M H X S+ 0 0 5 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.908 113.9 50.5 -60.6 -44.3 17.9 103.6 78.0 432 163 B E H X S+ 0 0 3 -4,-2.4 4,-3.2 2,-0.2 5,-0.5 0.956 107.7 49.1 -61.1 -55.0 21.4 103.8 79.1 433 164 B L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 5,-0.5 0.935 115.2 46.5 -54.9 -44.9 21.8 107.5 79.3 434 165 B M H < S+ 0 0 0 -4,-2.1 -27,-0.3 -5,-0.3 -1,-0.2 0.941 116.4 42.5 -62.9 -48.4 18.6 107.8 81.3 435 166 B L H < S+ 0 0 3 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.873 120.3 39.2 -69.5 -42.3 19.4 105.0 83.7 436 167 B T H < S- 0 0 0 -4,-3.2 361,-2.1 -5,-0.3 362,-1.6 0.837 90.1-145.9 -79.9 -24.7 23.0 105.8 84.4 437 168 B N < + 0 0 16 -4,-1.9 -3,-0.1 -5,-0.5 -4,-0.1 0.848 40.3 166.1 61.4 34.8 22.4 109.6 84.4 438 169 B R - 0 0 28 -5,-0.5 -34,-0.5 -6,-0.3 2,-0.5 -0.374 40.2-112.6 -76.1 158.3 25.8 109.8 83.0 439 170 B T E -R 403 0F 41 -36,-0.1 2,-0.5 -2,-0.1 -36,-0.2 -0.836 26.6-147.5 -97.2 129.9 27.1 113.0 81.4 440 171 B L E -R 402 0F 0 -38,-3.2 -38,-2.4 -2,-0.5 -7,-0.0 -0.876 10.3-151.7-101.4 125.6 27.7 112.8 77.6 441 172 B Y > - 0 0 127 -2,-0.5 4,-3.1 -40,-0.2 3,-0.4 -0.522 31.1 -97.4 -93.2 161.1 30.5 114.8 76.2 442 173 B P H > S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.779 117.3 54.3 -46.3 -43.6 30.6 116.2 72.7 443 174 B E H > S+ 0 0 173 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.931 116.7 38.0 -61.8 -44.4 32.7 113.4 71.0 444 175 B E H > S+ 0 0 56 -3,-0.4 4,-2.6 2,-0.2 6,-0.3 0.895 113.6 54.2 -73.7 -41.3 30.4 110.8 72.2 445 176 B A H X>S+ 0 0 0 -4,-3.1 5,-2.1 1,-0.2 6,-0.9 0.929 111.3 48.2 -60.2 -39.9 27.3 112.8 71.6 446 177 B K H ><5S+ 0 0 70 -4,-2.6 3,-1.0 -5,-0.3 -2,-0.2 0.949 109.3 51.7 -64.1 -46.2 28.5 113.3 68.1 447 178 B D H 3<5S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.907 110.6 51.0 -56.0 -38.0 29.2 109.5 67.7 448 179 B W H 3<5S- 0 0 12 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.673 116.5-113.6 -75.5 -18.2 25.7 108.8 68.8 449 180 B G T <<5S+ 0 0 2 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.562 82.1 124.8 92.9 7.7 24.1 111.2 66.4 450 181 B L S > - 0 0 31 0, 0.0 3,-2.5 0, 0.0 4,-1.9 -0.200 42.9-117.5 -51.6 132.9 35.7 125.1 69.3 457 188 B K H 3> S+ 0 0 65 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.847 112.0 52.2 -42.1 -44.2 34.0 127.1 72.0 458 189 B D H 34 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.681 114.2 41.9 -72.9 -14.9 35.4 130.3 70.8 459 190 B E H <> S+ 0 0 112 -3,-2.5 4,-2.1 2,-0.1 3,-0.4 0.623 92.0 91.8-101.4 -18.9 34.3 129.8 67.3 460 191 B F H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.822 78.5 52.7 -43.5 -59.4 30.8 128.4 68.1 461 192 B R H X S+ 0 0 104 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.894 113.8 44.1 -53.6 -42.3 28.7 131.5 68.2 462 193 B E H > S+ 0 0 162 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.914 113.3 48.6 -70.0 -43.6 29.8 132.5 64.8 463 194 B V H X S+ 0 0 24 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.919 113.3 48.8 -61.4 -43.0 29.5 129.1 63.2 464 195 B A H X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.889 107.7 53.2 -66.2 -40.0 26.2 128.6 64.5 465 196 B W H X S+ 0 0 33 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.898 110.6 47.0 -65.4 -39.9 24.9 131.9 63.4 466 197 B K H X S+ 0 0 93 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.922 110.4 53.5 -67.1 -41.3 26.0 131.3 59.8 467 198 B V H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.941 109.8 48.9 -58.4 -45.3 24.4 127.8 59.9 468 199 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.919 110.5 49.9 -60.4 -43.9 21.1 129.4 61.0 469 200 B R H X S+ 0 0 79 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.853 110.9 49.7 -62.6 -35.2 21.3 131.9 58.2 470 201 B E H X S+ 0 0 36 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.886 111.0 49.2 -69.3 -43.2 21.9 129.2 55.7 471 202 B L H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.905 111.5 49.8 -64.2 -39.3 19.0 127.2 57.0 472 203 B A H < S+ 0 0 12 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.892 109.6 50.9 -65.8 -37.5 16.8 130.3 56.8 473 204 B A H < S+ 0 0 87 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.828 93.0 91.3 -70.5 -32.2 17.8 131.1 53.2 474 205 B A S < S- 0 0 7 -4,-1.9 2,-0.7 1,-0.2 -309,-0.0 -0.213 102.5 -77.3 -62.2 157.5 17.1 127.6 52.1 475 206 B P > - 0 0 18 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.426 40.7-161.6 -63.6 103.4 13.5 127.0 50.7 476 207 B T H > S+ 0 0 38 -2,-0.7 4,-3.2 -4,-0.3 5,-0.2 0.814 85.3 60.9 -54.3 -39.6 11.3 126.7 53.8 477 208 B H H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 109.6 42.2 -57.2 -43.1 8.5 125.0 51.9 478 209 B L H > S+ 0 0 0 -3,-0.5 4,-1.8 2,-0.2 -335,-0.3 0.862 112.9 53.5 -69.3 -39.0 10.7 122.1 51.1 479 210 B Q H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.905 108.9 49.0 -62.2 -45.9 12.2 122.1 54.6 480 211 B V H X S+ 0 0 16 -4,-3.2 4,-2.7 1,-0.2 5,-0.3 0.911 107.7 54.6 -61.5 -43.1 8.8 121.8 56.2 481 212 B M H X S+ 0 0 27 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.896 110.9 45.3 -56.5 -44.5 7.8 119.0 53.9 482 213 B A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.916 113.3 49.2 -64.7 -47.7 10.8 117.0 54.9 483 214 B K H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.901 112.9 46.1 -59.5 -48.2 10.4 117.7 58.7 484 215 B E H X S+ 0 0 77 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.921 115.0 47.5 -65.4 -43.6 6.6 116.8 58.8 485 216 B R H X S+ 0 0 14 -4,-1.9 4,-2.8 -5,-0.3 5,-0.2 0.863 108.7 55.2 -68.0 -33.0 7.2 113.6 56.8 486 217 B F H X S+ 0 0 1 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.968 112.8 40.9 -65.1 -47.0 10.2 112.6 59.0 487 218 B H H < S+ 0 0 13 -4,-2.2 4,-0.4 -5,-0.2 3,-0.4 0.962 121.7 41.9 -63.2 -49.3 8.2 112.8 62.2 488 219 B A H >< S+ 0 0 25 -4,-2.5 3,-1.7 -5,-0.2 -2,-0.2 0.946 110.6 54.7 -62.1 -50.1 5.1 111.2 60.7 489 220 B G H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.655 86.1 78.6 -61.0 -22.5 6.8 108.5 58.7 490 221 B W T 3< S+ 0 0 4 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.1 0.860 107.9 32.7 -55.0 -33.2 8.7 107.0 61.5 491 222 B M T < S+ 0 0 57 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.190 105.6 89.1-107.8 12.5 5.4 105.4 62.5 492 223 B Q S < S- 0 0 29 -3,-1.4 2,-0.0 -4,-0.1 -4,-0.0 -0.871 75.2-110.9-119.2 152.4 3.8 104.8 59.1 493 224 B P >> - 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