==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 07-JUL-11 3SRB . COMPND 2 MOLECULE: ACYL-HOMOSERINE LACTONE ACYLASE PVDQ; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.M.GULICK,E.J.DRAKE . 709 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 19.6 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 . 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 . 40 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 1 2 1 0 4 1 2 2 0 1 0 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 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 PARALLEL BRIDGES PER LADDER . 7 4 3 6 2 3 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 1 1 0 0 1 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 29 A T 0 0 98 0, 0.0 3,-0.1 0, 0.0 708,-0.0 0.000 360.0 360.0 360.0 179.7 19.4 33.5 75.8 2 30 A G + 0 0 55 1,-0.3 2,-0.5 708,-0.1 22,-0.2 0.784 360.0 137.7 67.3 28.7 20.2 36.6 78.0 3 31 A L + 0 0 5 20,-0.1 707,-2.0 21,-0.1 2,-0.3 -0.932 18.9 150.3-111.0 121.9 19.5 38.7 74.9 4 32 A A E +A 709 0A 50 -2,-0.5 16,-0.3 705,-0.2 2,-0.3 -0.981 12.4 172.9-152.5 140.0 17.5 41.9 75.3 5 33 A A E -A 708 0A 9 703,-2.5 703,-2.5 -2,-0.3 2,-0.5 -0.998 24.4-142.9-146.6 148.9 17.4 45.3 73.5 6 34 A D E -AB 707 18A 17 12,-2.9 12,-3.0 -2,-0.3 2,-0.5 -0.969 25.1-167.5-108.7 123.3 15.4 48.5 73.5 7 35 A I E -AB 706 17A 0 699,-3.4 699,-3.0 -2,-0.5 2,-0.4 -0.944 10.1-177.1-115.8 126.1 15.0 49.9 70.0 8 36 A R E -AB 705 16A 18 8,-2.4 8,-2.6 -2,-0.5 2,-0.5 -0.974 11.3-155.9-113.9 136.6 13.7 53.4 69.1 9 37 A W E -AB 704 15A 10 695,-2.8 695,-2.1 -2,-0.4 2,-0.1 -0.950 9.0-169.7-110.0 130.8 13.3 54.5 65.5 10 38 A T E >> - B 0 14A 4 4,-2.3 3,-1.4 -2,-0.5 4,-0.7 -0.365 49.8 -39.6 -99.9-172.7 13.4 58.2 64.6 11 39 A A G >4 S+ 0 0 22 1,-0.2 3,-0.6 2,-0.2 -1,-0.3 -0.136 128.1 22.1 -50.2 141.4 12.5 59.8 61.2 12 40 A Y G 34 S- 0 0 62 1,-0.2 654,-0.4 -3,-0.1 -1,-0.2 0.584 128.3 -74.2 74.8 14.3 13.6 57.8 58.1 13 41 A G G <4 S+ 0 0 1 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.803 76.8 162.6 73.8 32.7 13.9 54.5 60.0 14 42 A V E << -B 10 0A 5 -4,-0.7 -4,-2.3 -3,-0.6 -1,-0.2 -0.761 29.5-141.3 -84.6 118.6 17.1 55.3 61.9 15 43 A P E -B 9 0A 0 0, 0.0 185,-1.9 0, 0.0 2,-0.5 -0.573 13.3-162.1 -86.0 147.0 17.4 52.9 64.9 16 44 A H E -Bc 8 200A 2 -8,-2.6 -8,-2.4 -2,-0.2 2,-0.5 -0.969 16.3-161.5-126.3 106.6 18.6 53.8 68.3 17 45 A I E -Bc 7 201A 0 183,-3.1 185,-2.4 -2,-0.5 2,-0.4 -0.824 8.8-174.1-101.3 124.9 19.6 50.6 70.1 18 46 A R E +Bc 6 202A 57 -12,-3.0 -12,-2.9 -2,-0.5 2,-0.3 -0.981 15.8 153.4-116.9 130.3 20.0 50.5 73.9 19 47 A A - 0 0 11 183,-2.2 -14,-0.1 -2,-0.4 3,-0.0 -0.969 47.8-127.7-149.9 164.6 21.3 47.5 75.8 20 48 A K S S+ 0 0 166 -16,-0.3 2,-0.3 -2,-0.3 183,-0.1 0.567 91.3 13.3 -90.4 -11.0 23.0 46.6 79.0 21 49 A D S > S- 0 0 30 -17,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.940 85.3 -92.0-155.2 173.3 25.7 44.5 77.3 22 50 A E H > S+ 0 0 15 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.873 119.7 52.4 -62.0 -40.6 27.3 43.6 73.9 23 51 A R H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.929 112.5 45.2 -65.0 -42.6 25.1 40.6 73.2 24 52 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 113.0 51.8 -62.3 -40.2 21.9 42.7 73.8 25 53 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.953 111.2 46.1 -63.9 -48.6 23.3 45.5 71.7 26 54 A G H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.878 108.1 58.8 -58.7 -40.1 24.1 43.1 68.8 27 55 A Y H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.932 108.9 43.4 -54.3 -49.4 20.6 41.7 69.2 28 56 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.901 114.6 49.6 -65.1 -43.5 19.0 45.1 68.6 29 57 A I H X S+ 0 0 3 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.937 111.5 48.0 -59.5 -50.8 21.4 45.9 65.7 30 58 A G H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.895 114.3 46.7 -61.1 -42.1 20.8 42.6 63.9 31 59 A Y H X S+ 0 0 27 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.950 115.1 44.9 -64.3 -50.9 17.0 42.8 64.3 32 60 A A H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.923 114.5 48.9 -61.3 -44.8 16.8 46.5 63.1 33 61 A Y H X S+ 0 0 5 -4,-3.0 4,-2.9 -5,-0.2 3,-0.4 0.912 109.0 53.4 -62.8 -41.1 19.2 45.8 60.2 34 62 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.880 101.8 59.8 -60.1 -40.3 17.1 42.7 59.1 35 63 A R H < S+ 0 0 45 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.878 120.3 26.3 -55.3 -40.7 13.9 44.8 59.1 36 64 A D H < S+ 0 0 0 -4,-1.3 633,-0.8 -3,-0.4 632,-0.5 0.749 139.4 17.9 -91.1 -30.0 15.5 47.1 56.4 37 65 A N H X + 0 0 1 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.054 68.5 129.1-143.2 29.2 18.0 44.9 54.7 38 66 A A H X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.904 83.5 48.4 -55.3 -44.6 17.5 41.1 55.3 39 67 A a H > S+ 0 0 18 2,-0.2 4,-2.5 -5,-0.2 -1,-0.2 0.905 110.5 51.3 -67.2 -41.8 17.6 40.4 51.5 40 68 A L H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.948 112.4 45.4 -57.7 -52.2 20.8 42.4 51.1 41 69 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 111.6 52.6 -61.0 -41.5 22.6 40.7 53.9 42 70 A A H X S+ 0 0 5 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.928 110.8 47.7 -59.1 -45.9 21.4 37.2 52.7 43 71 A E H X S+ 0 0 50 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.920 113.5 46.5 -59.5 -47.6 22.8 37.9 49.2 44 72 A E H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.804 110.8 53.0 -70.6 -30.0 26.2 39.2 50.5 45 73 A I H X S+ 0 0 8 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.919 106.5 52.6 -67.1 -43.0 26.5 36.2 52.9 46 74 A V H <>S+ 0 0 5 -4,-2.4 5,-2.7 1,-0.2 4,-0.4 0.927 111.4 48.4 -55.4 -44.7 25.9 33.9 50.0 47 75 A T H ><5S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.952 112.3 46.3 -59.4 -51.0 28.7 35.7 48.2 48 76 A A H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.699 111.1 53.0 -71.3 -20.1 31.1 35.5 51.2 49 77 A R T 3<5S- 0 0 86 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.485 113.1-121.1 -84.4 -7.7 30.3 31.8 51.6 50 78 A G T < 5S+ 0 0 6 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.904 76.9 124.1 65.0 43.0 31.1 31.2 48.0 51 79 A E >< + 0 0 40 -5,-2.7 4,-1.6 -6,-0.1 5,-0.2 0.159 27.1 108.7-118.2 16.2 27.6 29.9 47.2 52 80 A R H > S+ 0 0 14 -6,-0.4 4,-2.9 16,-0.3 5,-0.4 0.926 82.3 47.3 -59.8 -47.1 26.6 32.2 44.4 53 81 A A H > S+ 0 0 0 15,-0.4 221,-2.5 1,-0.2 4,-1.6 0.842 108.1 58.2 -65.7 -31.5 26.8 29.5 41.7 54 82 A R H 4 S+ 0 0 99 219,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.892 120.5 25.5 -61.9 -43.4 24.9 27.1 43.9 55 83 A Y H < S+ 0 0 32 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.777 138.4 23.4 -91.8 -29.5 21.8 29.4 44.2 56 84 A F H < S- 0 0 64 -4,-2.9 3,-0.2 -5,-0.2 4,-0.2 0.468 97.9-122.0-124.8 -5.9 22.1 31.4 41.0 57 85 A G >< - 0 0 9 -4,-1.6 3,-0.5 -5,-0.4 -1,-0.2 -0.112 39.4 -70.6 81.5 176.0 24.1 29.5 38.4 58 86 A S T 3 S+ 0 0 66 216,-0.5 11,-0.4 1,-0.2 10,-0.3 0.583 118.6 70.1 -84.8 -11.9 27.3 30.5 36.6 59 87 A E T 3 S+ 0 0 190 -3,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.670 87.3 79.8 -81.6 -15.7 25.8 33.2 34.3 60 88 A G < - 0 0 27 -3,-0.5 8,-2.4 -4,-0.2 2,-0.3 -0.222 66.2-139.8 -87.7 176.1 25.2 35.7 37.2 61 89 A K B -J 67 0B 104 6,-0.3 6,-0.2 7,-0.1 2,-0.1 -0.892 15.4-113.8-130.8 161.1 27.4 38.1 39.0 62 90 A S > - 0 0 5 4,-2.4 3,-1.8 -2,-0.3 -18,-0.1 -0.336 43.2 -97.5 -79.3 174.1 27.9 39.3 42.6 63 91 A S T 3 S+ 0 0 51 1,-0.3 128,-0.1 2,-0.1 -1,-0.1 0.644 127.6 62.2 -70.1 -14.4 27.1 42.9 43.6 64 92 A A T 3 S- 0 0 57 2,-0.1 -1,-0.3 128,-0.0 128,-0.0 0.347 120.0-114.3 -85.8 2.3 30.9 43.5 43.2 65 93 A E S < S+ 0 0 134 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.671 70.1 139.2 70.0 22.2 30.4 42.6 39.5 66 94 A L - 0 0 27 1,-0.1 -4,-2.4 2,-0.0 -1,-0.3 -0.748 63.0 -99.9 -88.1 143.6 32.5 39.4 39.7 67 95 A D B > -J 61 0B 81 -2,-0.3 4,-2.8 -6,-0.2 -6,-0.3 -0.338 35.8-116.9 -56.5 142.9 31.2 36.3 37.8 68 96 A N H > S+ 0 0 1 -8,-2.4 4,-2.6 -10,-0.3 -15,-0.4 0.874 108.5 44.4 -53.5 -48.1 29.5 33.9 40.3 69 97 A L H > S+ 0 0 36 -11,-0.4 4,-2.5 -9,-0.2 5,-0.2 0.957 116.1 44.6 -70.4 -49.1 31.9 30.9 39.9 70 98 A P H > S+ 0 0 30 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.913 114.6 51.7 -57.6 -39.7 35.2 32.9 40.1 71 99 A S H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.936 110.3 48.6 -60.1 -45.6 33.7 34.9 43.0 72 100 A D H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.884 109.5 51.4 -61.7 -42.3 32.8 31.6 44.8 73 101 A I H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.937 111.9 48.2 -60.2 -46.0 36.3 30.2 44.2 74 102 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.926 115.3 42.9 -60.6 -47.7 37.8 33.3 45.7 75 103 A Y H X S+ 0 0 11 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.846 111.3 53.5 -74.0 -31.7 35.5 33.4 48.8 76 104 A A H < S+ 0 0 23 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.898 113.7 45.3 -64.1 -39.0 35.8 29.7 49.4 77 105 A W H >< S+ 0 0 19 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.937 116.9 44.0 -66.3 -46.0 39.6 30.2 49.4 78 106 A L H 3< S+ 0 0 3 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.900 118.8 42.3 -65.7 -42.3 39.4 33.3 51.6 79 107 A N T 3< S+ 0 0 9 -4,-2.8 -1,-0.2 -31,-0.2 -2,-0.1 -0.244 76.8 156.3-108.4 43.2 36.9 31.9 54.1 80 108 A Q <> - 0 0 44 -3,-0.9 4,-2.1 1,-0.1 3,-0.5 -0.314 57.2-107.5 -61.4 150.8 38.2 28.4 54.6 81 109 A P H > S+ 0 0 100 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.872 119.1 53.1 -50.9 -42.3 37.2 26.7 57.9 82 110 A E H > S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 109.6 47.8 -62.1 -42.0 40.8 27.0 59.3 83 111 A A H > S+ 0 0 28 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.883 113.1 47.5 -65.2 -43.5 40.9 30.8 58.6 84 112 A L H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.889 111.9 50.5 -65.5 -41.5 37.5 31.5 60.1 85 113 A Q H X S+ 0 0 54 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.936 111.9 46.6 -62.8 -47.3 38.4 29.4 63.2 86 114 A A H X S+ 0 0 63 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.898 113.2 50.0 -61.4 -41.2 41.6 31.3 63.8 87 115 A F H < S+ 0 0 2 -4,-2.1 3,-0.5 2,-0.2 4,-0.4 0.948 111.8 47.6 -61.9 -48.8 39.9 34.6 63.2 88 116 A W H >< S+ 0 0 49 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.914 108.9 54.2 -57.3 -46.2 37.2 33.7 65.7 89 117 A Q H 3< S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.782 105.3 54.4 -63.3 -25.9 39.7 32.5 68.3 90 118 A A T 3< S+ 0 0 51 -4,-1.3 -1,-0.3 -3,-0.5 2,-0.2 0.499 87.2 106.9 -85.5 -5.2 41.5 35.9 68.1 91 119 A Q S < S- 0 0 8 -3,-1.7 230,-0.1 -4,-0.4 -3,-0.0 -0.538 72.6-118.7 -79.7 139.6 38.3 37.9 68.8 92 120 A T > - 0 0 47 -2,-0.2 4,-2.6 1,-0.1 3,-0.2 -0.329 28.3-108.6 -66.2 154.7 37.8 39.5 72.2 93 121 A P H > S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.905 120.1 54.8 -48.7 -45.7 34.9 38.4 74.4 94 122 A A H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.889 110.2 44.5 -57.9 -43.7 33.2 41.8 73.7 95 123 A V H > S+ 0 0 2 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 111.4 53.0 -70.5 -41.8 33.4 41.3 69.9 96 124 A R H X S+ 0 0 74 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.909 110.8 48.6 -56.3 -41.6 32.3 37.7 70.1 97 125 A Q H X S+ 0 0 65 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.889 108.0 52.8 -68.4 -41.2 29.2 38.9 72.1 98 126 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.930 113.7 44.4 -56.7 -46.2 28.4 41.6 69.6 99 127 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.881 111.2 52.2 -69.5 -40.2 28.4 39.1 66.8 100 128 A E H X S+ 0 0 67 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.922 112.8 46.3 -60.8 -44.8 26.4 36.4 68.8 101 129 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.931 110.7 52.8 -61.1 -48.0 23.8 39.1 69.5 102 130 A Y H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.931 109.6 47.2 -55.9 -51.1 23.7 40.3 65.9 103 131 A A H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 26,-0.4 0.926 114.1 48.2 -57.6 -45.2 23.2 36.8 64.5 104 132 A A H X S+ 0 0 16 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.868 112.7 48.4 -64.0 -38.2 20.4 36.1 67.0 105 133 A G H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.909 112.3 47.3 -69.3 -45.0 18.7 39.4 66.3 106 134 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.943 113.3 49.9 -59.1 -47.7 18.8 39.0 62.5 107 135 A N H X S+ 0 0 27 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.835 105.5 56.7 -63.5 -34.5 17.4 35.4 62.9 108 136 A R H X S+ 0 0 45 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.941 107.5 48.1 -61.8 -47.7 14.6 36.6 65.2 109 137 A F H X S+ 0 0 16 -4,-1.9 4,-1.7 1,-0.2 3,-0.5 0.927 109.8 53.2 -56.7 -46.6 13.4 39.0 62.5 110 138 A L H < S+ 0 0 32 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.870 105.8 53.8 -55.9 -41.8 13.6 36.2 59.9 111 139 A R H < S+ 0 0 151 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.831 118.6 34.6 -59.8 -35.6 11.4 33.9 62.1 112 140 A E H < S+ 0 0 99 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.549 85.5 125.7-101.0 -13.0 8.7 36.6 62.3 113 141 A A < + 0 0 23 -4,-1.7 -3,-0.0 -5,-0.2 -78,-0.0 -0.235 28.8 177.2 -58.3 129.7 8.9 38.2 58.9 114 142 A D - 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0 0 11 19,-0.2 3,-0.4 21,-0.2 -1,-0.2 -0.065 46.7 -96.2 -67.6 177.3 48.3 60.9 49.9 436 488 B A S > S+ 0 0 0 1,-0.2 3,-2.0 16,-0.2 9,-0.3 0.720 98.9 100.4 -64.3 -22.3 49.0 62.5 53.3 437 489 B W T 3 S+ 0 0 12 17,-0.4 8,-2.5 1,-0.3 3,-0.4 0.782 90.2 23.0 -36.5 -65.4 51.3 65.1 51.6 438 490 B L T 3 S+ 0 0 8 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 -0.067 73.4 130.9-105.1 33.6 49.0 68.1 51.5 439 491 B T S < S+ 0 0 1 -3,-2.0 -9,-1.1 1,-0.3 -1,-0.2 0.895 99.9 2.0 -45.1 -47.9 46.5 67.3 54.3 440 492 B N S > S- 0 0 2 -3,-0.4 3,-2.7 3,-0.3 -1,-0.3 -0.852 75.3-151.2-141.2 112.8 47.3 70.9 55.4 441 493 B P T 3 S+ 0 0 25 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.680 94.3 68.4 -56.3 -23.0 49.7 72.7 53.0 442 494 B A T 3 S+ 0 0 72 1,-0.3 -4,-0.0 -4,-0.1 -3,-0.0 0.722 115.3 26.9 -66.3 -22.2 51.0 74.8 55.9 443 495 B S S < S- 0 0 42 -3,-2.7 -3,-0.3 -6,-0.1 -1,-0.3 -0.608 87.3-159.8-141.0 75.4 52.6 71.6 57.3 444 496 B P - 0 0 57 0, 0.0 2,-0.7 0, 0.0 -6,-0.2 -0.268 14.9-131.8 -62.0 140.7 53.3 69.2 54.4 445 497 B L + 0 0 19 -8,-2.5 2,-0.3 -9,-0.3 3,-0.1 -0.861 45.3 151.0 -96.3 114.6 53.8 65.5 55.3 446 498 B Q + 0 0 103 -2,-0.7 8,-0.1 1,-0.1 0, 0.0 -0.863 31.7 56.9-139.6 166.4 56.9 64.2 53.6 447 499 B G S S+ 0 0 82 -2,-0.3 2,-0.2 1,-0.3 -1,-0.1 0.712 70.4 138.0 82.6 23.5 59.7 61.7 54.0 448 500 B F - 0 0 55 5,-0.3 -1,-0.3 1,-0.1 -28,-0.1 -0.613 61.5 -84.9 -97.9 158.2 57.6 58.5 54.1 449 501 B S >> - 0 0 32 -30,-0.2 4,-2.4 -2,-0.2 3,-1.9 -0.244 35.1-120.3 -51.7 144.2 58.0 55.2 52.5 450 502 B P T 34 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.755 118.0 60.5 -57.5 -25.9 56.7 54.9 48.9 451 503 B L T 34 S+ 0 0 18 -78,-0.1 -213,-2.9 -214,-0.1 3,-0.1 0.607 115.2 34.6 -72.5 -12.8 54.5 52.1 50.4 452 504 B V T <4 S- 0 0 3 -3,-1.9 2,-0.3 1,-0.3 -216,-0.2 0.851 126.8 -16.4-109.5 -60.9 53.0 54.8 52.7 453 505 B S < - 0 0 9 -4,-2.4 -5,-0.3 -18,-0.1 2,-0.3 -0.965 53.0-169.1-159.1 134.2 52.7 58.2 51.1 454 506 B Q - 0 0 108 -2,-0.3 2,-1.8 -4,-0.1 -17,-0.4 -0.892 35.2-110.8-126.0 154.9 54.2 60.0 48.1 455 507 B E + 0 0 99 -2,-0.3 3,-0.0 -18,-0.1 -9,-0.0 -0.510 58.7 155.3 -83.9 71.6 54.3 63.6 46.9 456 508 B K - 0 0 49 -2,-1.8 -21,-0.2 1,-0.1 -2,-0.0 -0.689 54.3 -85.5 -97.1 152.1 52.0 63.1 43.9 457 509 B P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.317 52.4-116.6 -55.5 133.1 49.8 65.9 42.3 458 510 B I - 0 0 22 102,-0.4 -25,-0.0 1,-0.1 -3,-0.0 -0.365 26.0-108.6 -74.5 151.6 46.5 66.2 44.2 459 511 B G > - 0 0 23 -27,-0.1 4,-2.1 1,-0.1 3,-0.3 -0.245 34.0-101.7 -71.5 166.4 43.2 65.5 42.6 460 512 B P H > S+ 0 0 31 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.786 118.6 60.7 -66.1 -26.6 40.7 68.3 41.7 461 513 B R H > S+ 0 0 36 159,-0.3 4,-2.6 2,-0.2 5,-0.1 0.944 109.5 41.3 -62.3 -47.5 38.5 67.5 44.8 462 514 B A H > S+ 0 0 0 -30,-0.3 4,-2.7 -3,-0.3 5,-0.2 0.889 114.2 52.9 -65.6 -40.1 41.4 68.2 47.2 463 515 B R H X S+ 0 0 19 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.922 110.8 47.9 -61.3 -44.5 42.4 71.2 45.1 464 516 B Y H X S+ 0 0 16 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.940 111.9 48.9 -57.7 -52.4 38.8 72.5 45.3 465 517 B A H >X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 3,-0.9 0.929 111.0 49.2 -56.9 -49.1 38.7 72.0 49.1 466 518 B L H 3X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.819 105.2 58.9 -62.5 -31.4 42.0 73.7 49.8 467 519 B S H 3< S+ 0 0 68 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.804 114.2 38.1 -65.5 -28.8 40.9 76.7 47.6 468 520 B R H << S+ 0 0 80 -4,-1.2 -2,-0.2 -3,-0.9 -1,-0.2 0.700 119.5 46.5 -92.0 -24.9 37.9 77.1 50.0 469 521 B L H < S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.770 89.4 89.6 -94.3 -30.4 39.7 76.3 53.3 470 522 B Q < + 0 0 87 -4,-2.1 2,-0.3 -5,-0.2 3,-0.2 -0.328 68.0 49.5 -73.3 154.1 42.9 78.3 53.0 471 523 B G S S- 0 0 50 1,-0.1 -3,-0.0 -2,-0.0 -4,-0.0 -0.758 93.5 -76.9 112.0-163.3 43.1 81.9 54.4 472 524 B K S S+ 0 0 189 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.418 80.4 115.6-124.3 -0.9 42.0 83.4 57.7 473 525 B Q S S- 0 0 149 -3,-0.2 -297,-0.1 1,-0.1 0, 0.0 -0.498 72.3-102.7 -74.2 139.6 38.2 83.7 57.6 474 526 B P - 0 0 78 0, 0.0 2,-0.5 0, 0.0 -299,-0.2 -0.267 31.5-128.6 -61.2 146.4 36.2 81.6 60.1 475 527 B L B -p 175 0D 7 -301,-3.1 -299,-1.9 4,-0.0 -298,-0.3 -0.880 21.6-162.1-101.4 125.2 34.5 78.5 58.8 476 528 B E > - 0 0 105 -2,-0.5 4,-1.5 -301,-0.2 3,-0.4 -0.659 32.7-113.8 -97.3 158.7 30.8 77.9 59.5 477 529 B A H > S+ 0 0 36 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.904 119.4 58.3 -54.6 -42.8 28.9 74.7 59.3 478 530 B K H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.856 100.8 55.9 -54.3 -40.3 27.0 76.2 56.4 479 531 B T H > S+ 0 0 48 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.918 109.9 44.5 -61.6 -44.5 30.2 76.8 54.5 480 532 B L H X S+ 0 0 0 -4,-1.5 4,-0.8 2,-0.2 3,-0.2 0.900 112.8 51.2 -68.8 -40.8 31.1 73.0 54.8 481 533 B E H >X S+ 0 0 29 -4,-2.5 4,-2.4 1,-0.2 3,-1.0 0.929 109.6 50.6 -57.9 -46.7 27.6 72.0 53.8 482 534 B E H 3X S+ 0 0 96 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.723 96.7 67.7 -71.0 -20.9 27.6 74.2 50.8 483 535 B M H 3< S+ 0 0 5 -4,-1.2 5,-0.3 -3,-0.2 143,-0.3 0.833 112.5 34.9 -62.9 -31.9 31.0 72.8 49.6 484 536 B V H X< S+ 0 0 2 -3,-1.0 3,-1.2 -4,-0.8 142,-0.4 0.921 120.6 45.6 -81.7 -52.2 29.0 69.6 49.0 485 537 B T H 3< S+ 0 0 21 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.2 0.587 96.1 73.6 -77.5 -11.0 25.6 71.1 47.9 486 538 B A T 3< S- 0 0 46 -4,-1.8 -1,-0.3 -5,-0.2 40,-0.2 0.791 82.3-154.2 -66.3 -27.6 27.1 73.7 45.4 487 539 B N < - 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