==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JAN-10 3L94 . COMPND 2 MOLECULE: ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT ALPH . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR E.J.DRAKE,A.M.GULICK . 707 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 485 68.6 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 . 140 19.8 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 . 45 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 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 2 1 1 0 3 2 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 . 6 5 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 90 0, 0.0 2,-1.3 0, 0.0 708,-0.1 0.000 360.0 360.0 360.0-145.8 20.9 34.2 77.3 2 30 A G + 0 0 36 707,-0.1 2,-0.9 706,-0.1 22,-0.2 -0.589 360.0 152.2 -83.6 65.6 20.9 37.8 78.4 3 31 A L + 0 0 16 -2,-1.3 706,-2.2 20,-0.1 2,-0.3 -0.866 17.7 130.8 -99.9 101.8 19.6 38.7 75.0 4 32 A A E +A 708 0A 27 -2,-0.9 16,-0.3 704,-0.2 2,-0.3 -0.966 24.6 170.5-151.9 138.5 17.6 41.9 75.6 5 33 A A E -A 707 0A 8 702,-2.6 702,-2.5 -2,-0.3 2,-0.5 -0.993 26.1-143.2-145.9 149.7 17.6 45.3 73.9 6 34 A D E -AB 706 18A 18 12,-2.7 12,-2.8 -2,-0.3 2,-0.5 -0.975 26.6-166.6-109.1 124.7 15.6 48.5 74.0 7 35 A I E -AB 705 17A 0 698,-3.4 698,-2.5 -2,-0.5 2,-0.4 -0.955 10.6-176.6-118.1 126.7 15.3 50.0 70.5 8 36 A R E -AB 704 16A 12 8,-2.5 8,-3.1 -2,-0.5 2,-0.4 -0.948 10.7-155.9-113.0 142.3 14.1 53.5 69.7 9 37 A W E -AB 703 15A 12 694,-2.7 694,-1.9 -2,-0.4 2,-0.1 -0.979 7.3-167.2-117.1 130.7 13.7 54.7 66.1 10 38 A T E >> - B 0 14A 5 4,-2.3 3,-1.2 -2,-0.4 4,-0.8 -0.372 50.0 -41.5 -99.8-177.5 13.8 58.3 65.1 11 39 A A G >4 S+ 0 0 20 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 -0.123 127.8 22.3 -48.3 140.6 12.8 59.9 61.7 12 40 A Y G 34 S- 0 0 67 1,-0.2 653,-0.4 -3,-0.1 -1,-0.2 0.597 128.7 -74.4 73.8 18.6 13.8 58.0 58.6 13 41 A G G <4 S+ 0 0 1 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.790 76.4 162.4 66.9 35.8 14.1 54.7 60.5 14 42 A V E << -B 10 0A 6 -4,-0.8 -4,-2.3 -3,-0.6 2,-0.2 -0.757 30.1-140.8 -84.1 116.6 17.4 55.4 62.4 15 43 A P E -B 9 0A 0 0, 0.0 185,-2.1 0, 0.0 2,-0.5 -0.566 13.9-161.5 -86.1 148.1 17.6 53.0 65.3 16 44 A H E -Bc 8 200A 2 -8,-3.1 -8,-2.5 -2,-0.2 2,-0.5 -0.961 14.9-162.0-126.4 106.6 18.9 53.8 68.8 17 45 A I E -Bc 7 201A 0 183,-2.9 185,-2.2 -2,-0.5 2,-0.4 -0.799 8.9-175.3 -99.4 123.4 19.9 50.6 70.7 18 46 A R E +Bc 6 202A 58 -12,-2.8 -12,-2.7 -2,-0.5 2,-0.3 -0.982 16.2 153.6-114.9 132.7 20.3 50.6 74.5 19 47 A A - 0 0 10 183,-2.1 -14,-0.1 -2,-0.4 3,-0.1 -0.962 47.8-126.0-149.4 164.5 21.5 47.4 76.3 20 48 A K S S+ 0 0 164 -16,-0.3 2,-0.3 -2,-0.3 183,-0.1 0.512 91.3 9.5 -90.8 -7.5 23.3 46.5 79.5 21 49 A D S > S- 0 0 34 -17,-0.2 4,-2.1 -19,-0.1 5,-0.1 -0.953 85.9 -90.3-159.5 175.8 26.0 44.5 77.8 22 50 A E H > S+ 0 0 14 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.812 119.2 56.3 -67.0 -35.6 27.5 43.6 74.3 23 51 A R H > S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.963 112.2 41.9 -63.0 -49.5 25.2 40.5 73.8 24 52 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.875 113.5 53.6 -62.3 -36.9 22.1 42.6 74.2 25 53 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.962 110.4 46.0 -65.1 -49.6 23.6 45.4 72.2 26 54 A G H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.888 108.5 58.3 -55.0 -42.4 24.3 43.0 69.3 27 55 A Y H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.920 109.1 43.4 -55.5 -47.3 20.8 41.6 69.7 28 56 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 -24,-0.2 5,-0.2 0.890 114.8 50.0 -67.6 -39.4 19.2 45.0 69.1 29 57 A I H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.954 112.0 46.3 -61.4 -51.3 21.6 45.8 66.2 30 58 A G H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.878 115.3 48.0 -63.3 -40.1 21.0 42.5 64.3 31 59 A Y H X S+ 0 0 27 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.944 114.3 43.6 -64.1 -50.2 17.2 42.9 64.8 32 60 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.898 114.8 50.7 -63.8 -39.4 17.0 46.5 63.6 33 61 A Y H X S+ 0 0 6 -4,-2.9 4,-2.6 -5,-0.2 3,-0.5 0.929 108.3 51.9 -64.9 -43.2 19.3 45.8 60.7 34 62 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.881 101.5 61.5 -60.7 -39.3 17.3 42.7 59.6 35 63 A R H < S+ 0 0 52 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.898 119.7 25.8 -55.3 -40.4 14.1 44.8 59.6 36 64 A D H < S+ 0 0 1 -4,-1.2 632,-0.9 -3,-0.5 631,-0.6 0.725 139.5 19.0 -90.7 -28.6 15.6 47.1 56.9 37 65 A N H X + 0 0 1 -4,-2.6 4,-2.5 629,-0.2 5,-0.2 0.037 69.0 129.3-143.4 28.2 18.1 44.8 55.2 38 66 A A H X S+ 0 0 1 -4,-1.9 4,-2.6 79,-0.2 5,-0.2 0.929 83.2 47.6 -53.6 -50.2 17.4 41.1 55.8 39 67 A a H > S+ 0 0 16 -5,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.904 111.0 51.7 -59.9 -43.6 17.6 40.3 52.0 40 68 A L H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.950 112.8 44.0 -56.5 -53.5 20.8 42.3 51.5 41 69 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.890 113.0 51.9 -63.3 -42.4 22.6 40.6 54.4 42 70 A A H X S+ 0 0 5 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.952 111.4 47.5 -56.0 -49.3 21.3 37.1 53.3 43 71 A E H X S+ 0 0 55 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.900 113.5 47.4 -58.9 -42.9 22.6 37.7 49.7 44 72 A E H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.804 110.6 51.3 -74.4 -26.9 26.0 38.9 50.9 45 73 A I H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.903 106.5 54.7 -73.0 -41.5 26.4 36.0 53.3 46 74 A V H <>S+ 0 0 5 -4,-2.5 5,-2.7 1,-0.2 6,-0.4 0.926 111.4 46.6 -50.6 -46.9 25.6 33.6 50.4 47 75 A T H ><5S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.950 112.6 47.4 -59.5 -49.6 28.4 35.4 48.5 48 76 A A H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.660 110.5 53.5 -75.9 -17.7 30.8 35.2 51.5 49 77 A R T 3<5S- 0 0 87 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.437 113.1-119.8 -82.6 -7.8 30.0 31.5 52.0 50 78 A G T < 5S+ 0 0 8 -3,-1.7 222,-0.3 -4,-0.3 -3,-0.2 0.903 78.5 122.6 65.0 40.9 30.8 30.8 48.3 51 79 A E >< + 0 0 38 -5,-2.7 4,-1.7 -6,-0.2 5,-0.2 0.188 28.4 106.5-116.9 13.0 27.2 29.5 47.7 52 80 A R H > S+ 0 0 16 -6,-0.4 4,-3.1 16,-0.2 5,-0.4 0.922 82.5 48.3 -59.5 -45.9 26.1 31.8 44.8 53 81 A A H > S+ 0 0 0 15,-0.4 221,-2.6 1,-0.2 4,-1.5 0.836 107.5 57.6 -65.4 -30.4 26.3 29.1 42.2 54 82 A R H 4 S+ 0 0 101 219,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.907 120.6 26.0 -66.8 -42.2 24.4 26.7 44.4 55 83 A Y H < S+ 0 0 44 -4,-1.7 -2,-0.2 -3,-0.1 -1,-0.2 0.808 138.7 23.5 -89.7 -31.1 21.4 29.1 44.6 56 84 A F H < S- 0 0 63 -4,-3.1 4,-0.3 -5,-0.2 3,-0.2 0.467 97.9-125.3-119.4 -6.4 21.7 31.1 41.4 57 85 A G < - 0 0 8 -4,-1.5 3,-0.4 -5,-0.4 -1,-0.2 -0.168 41.1 -68.9 80.1 179.1 23.7 29.0 38.9 58 86 A S S S+ 0 0 67 216,-0.5 11,-0.4 1,-0.2 10,-0.4 0.658 117.9 76.6 -84.1 -14.6 26.9 30.0 37.1 59 87 A E S S+ 0 0 97 -3,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.794 86.1 71.8 -67.9 -30.3 25.2 32.6 34.8 60 88 A G - 0 0 27 -3,-0.4 8,-2.4 -4,-0.3 2,-0.3 -0.048 66.9-138.3 -84.9-176.0 24.8 35.3 37.6 61 89 A K B -J 67 0B 102 6,-0.3 6,-0.2 7,-0.1 2,-0.1 -0.914 18.5-110.5-136.8 158.6 27.2 37.7 39.4 62 90 A S > - 0 0 5 4,-2.5 3,-2.0 -2,-0.3 -18,-0.1 -0.276 44.4 -96.1 -75.8 173.1 27.7 38.9 43.0 63 91 A S T 3 S+ 0 0 53 1,-0.3 128,-0.1 2,-0.1 -1,-0.1 0.655 128.9 61.6 -68.3 -13.8 27.0 42.5 44.0 64 92 A A T 3 S- 0 0 50 2,-0.1 -1,-0.3 128,-0.0 3,-0.1 0.297 119.9-114.7 -88.7 7.9 30.7 43.1 43.5 65 93 A E < + 0 0 134 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.713 70.0 138.9 66.9 22.9 30.1 42.1 39.8 66 94 A L - 0 0 27 1,-0.1 -4,-2.5 2,-0.0 -1,-0.2 -0.828 63.5-101.3 -88.1 142.9 32.2 38.9 39.9 67 95 A D B > -J 61 0B 76 -2,-0.4 4,-2.6 -6,-0.2 -6,-0.3 -0.281 35.9-115.3 -56.1 146.0 30.8 35.8 38.1 68 96 A N H > S+ 0 0 0 -8,-2.4 4,-2.6 -10,-0.4 -15,-0.4 0.861 109.3 46.6 -57.0 -46.4 29.2 33.5 40.7 69 97 A L H > S+ 0 0 39 -11,-0.4 4,-2.4 -9,-0.3 5,-0.2 0.966 115.3 44.1 -69.0 -49.4 31.5 30.5 40.2 70 98 A P H > S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.916 115.3 51.5 -58.6 -40.2 34.8 32.5 40.4 71 99 A S H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.930 110.0 48.3 -58.4 -46.9 33.4 34.4 43.3 72 100 A D H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.891 110.4 51.0 -61.7 -41.7 32.4 31.2 45.1 73 101 A I H X S+ 0 0 6 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.944 111.7 48.5 -61.1 -46.7 35.9 29.7 44.5 74 102 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.925 115.8 41.9 -59.0 -50.3 37.5 32.8 45.9 75 103 A Y H X S+ 0 0 8 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.858 111.4 55.1 -70.7 -32.1 35.3 32.9 49.1 76 104 A A H < S+ 0 0 25 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.916 114.1 43.0 -62.8 -38.7 35.5 29.2 49.7 77 105 A W H >< S+ 0 0 17 -4,-2.1 3,-0.8 -5,-0.2 -2,-0.2 0.924 118.7 43.2 -71.9 -44.9 39.3 29.7 49.7 78 106 A L H 3< S+ 0 0 3 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.930 117.7 43.6 -65.2 -47.2 39.2 32.8 51.8 79 107 A N T 3< S+ 0 0 9 -4,-3.2 -1,-0.2 -31,-0.2 -2,-0.1 -0.194 76.7 157.4-102.6 40.9 36.6 31.6 54.3 80 108 A Q X> - 0 0 34 -3,-0.8 4,-2.0 -2,-0.2 3,-0.6 -0.260 55.7-109.9 -58.2 149.3 37.9 28.1 55.0 81 109 A P H 3> S+ 0 0 96 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.884 118.2 53.8 -56.4 -38.9 36.8 26.6 58.3 82 110 A E H 3> S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.882 108.7 49.9 -61.6 -37.8 40.4 26.7 59.8 83 111 A A H <> S+ 0 0 26 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.907 112.0 46.5 -67.3 -43.6 40.6 30.5 58.9 84 112 A L H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.881 113.1 50.6 -64.6 -39.7 37.2 31.3 60.6 85 113 A Q H X S+ 0 0 112 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.948 111.1 46.8 -66.0 -48.2 38.2 29.2 63.6 86 114 A A H X S+ 0 0 58 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.924 113.6 49.9 -56.0 -44.8 41.6 31.0 64.0 87 115 A F H >< S+ 0 0 4 -4,-2.3 3,-0.6 1,-0.2 4,-0.3 0.950 111.8 47.9 -61.1 -48.8 39.8 34.4 63.6 88 116 A W H >< S+ 0 0 49 -4,-2.7 3,-1.9 1,-0.2 -1,-0.2 0.907 108.2 54.2 -55.4 -46.3 37.2 33.5 66.2 89 117 A Q H 3< S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.793 105.5 55.2 -64.2 -24.0 39.8 32.3 68.7 90 118 A A T << S+ 0 0 48 -4,-1.3 2,-0.3 -3,-0.6 -1,-0.3 0.442 87.8 104.5 -85.0 -4.6 41.6 35.7 68.4 91 119 A Q S < S- 0 0 8 -3,-1.9 230,-0.1 -4,-0.3 -3,-0.0 -0.629 72.6-119.2 -86.4 140.6 38.4 37.7 69.3 92 120 A T > - 0 0 40 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.268 29.7-107.5 -63.3 155.9 37.9 39.3 72.7 93 121 A P H > S+ 0 0 89 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.915 120.4 54.3 -50.7 -46.0 35.0 38.3 74.9 94 122 A A H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.894 110.4 45.1 -58.1 -42.5 33.2 41.7 74.1 95 123 A V H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 111.4 52.2 -70.3 -41.2 33.5 41.2 70.4 96 124 A R H X S+ 0 0 76 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.910 111.1 48.7 -59.0 -42.4 32.3 37.5 70.5 97 125 A Q H X S+ 0 0 58 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.894 108.2 52.8 -65.0 -43.3 29.3 38.7 72.5 98 126 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 113.8 44.1 -53.9 -46.6 28.5 41.5 70.0 99 127 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.902 112.6 50.2 -70.1 -43.8 28.6 39.0 67.2 100 128 A E H X S+ 0 0 62 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.924 113.0 47.6 -58.4 -44.4 26.6 36.3 69.1 101 129 A G H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.944 110.3 52.3 -63.0 -46.3 23.9 39.0 69.9 102 130 A Y H X S+ 0 0 3 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.935 109.7 47.4 -56.7 -50.3 23.8 40.2 66.3 103 131 A A H X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.2 26,-0.4 0.923 114.2 48.9 -57.9 -43.9 23.2 36.7 64.8 104 132 A A H X S+ 0 0 16 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.877 112.6 46.5 -62.8 -39.7 20.5 36.1 67.4 105 133 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.902 112.4 50.2 -74.1 -39.8 18.7 39.4 66.8 106 134 A F H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.918 112.5 47.7 -58.5 -46.5 18.8 38.9 63.0 107 135 A N H X S+ 0 0 27 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.845 106.6 56.9 -66.8 -35.4 17.4 35.4 63.4 108 136 A R H X S+ 0 0 42 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.950 107.6 48.5 -61.2 -50.0 14.6 36.7 65.7 109 137 A F H >X S+ 0 0 15 -4,-2.1 4,-1.3 1,-0.2 3,-0.7 0.931 111.2 50.7 -52.2 -49.2 13.5 39.1 63.0 110 138 A L H 3< S+ 0 0 31 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 105.0 56.7 -59.0 -38.6 13.6 36.3 60.4 111 139 A R H 3< S+ 0 0 154 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.819 117.5 34.4 -60.4 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0 0 84 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.614 100.4 52.3 -60.2 -14.9 42.9 62.9 29.7 546 598 B E T < S+ 0 0 156 -3,-1.7 2,-0.3 -5,-0.1 -1,-0.3 0.423 88.2 102.7-102.2 -2.4 44.3 60.9 26.8 547 599 B L < - 0 0 42 -3,-1.7 3,-0.4 -4,-0.3 2,-0.4 -0.635 68.0-128.9 -89.0 139.8 46.3 63.7 25.3 548 600 B D S S- 0 0 150 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.748 81.4 -10.5 -88.1 129.8 50.1 64.0 25.7 549 601 B G S S+ 0 0 59 -2,-0.4 -1,-0.2 1,-0.1 25,-0.1 0.787 85.5 133.8 58.0 37.0 51.6 67.4 26.9 550 602 B A + 0 0 4 -3,-0.4 18,-2.7 -6,-0.2 2,-0.2 0.615 37.7 102.7 -92.4 -15.8 48.3 69.4 26.5 551 603 B W E -G 567 0L 79 16,-0.2 16,-0.3 1,-0.1 15,-0.2 -0.507 63.5-148.8 -66.6 133.0 48.5 71.1 29.9 552 604 B K E S+ 0 0 99 14,-2.4 14,-0.2 1,-0.3 -1,-0.1 0.954 96.5 24.6 -62.8 -51.5 49.7 74.8 29.7 553 605 B E E S-G 565 0L 85 12,-2.1 12,-1.9 13,-0.3 -1,-0.3 -0.954 88.3-152.0-115.2 106.3 51.3 74.3 33.2 554 606 B P - 0 0 88 0, 0.0 -2,-0.0 0, 0.0 11,-0.0 -0.119 46.9 -57.7 -62.8 170.7 52.2 70.7 34.0 555 607 B F - 0 0 72 8,-0.2 2,-0.5 9,-0.1 3,-0.0 -0.314 55.6-164.4 -49.7 127.6 52.4 69.4 37.5 556 608 B D > - 0 0 68 3,-0.3 3,-1.9 -3,-0.1 7,-0.2 -0.985 14.1-151.3-121.4 115.3 54.9 71.5 39.5 557 609 B A T 3 S+ 0 0 60 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.740 100.3 50.5 -60.9 -25.0 56.0 69.9 42.8 558 610 B Q T 3 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.463 118.4 39.4 -88.9 -5.8 56.6 73.3 44.3 559 611 B R S X> S+ 0 0 100 -3,-1.9 3,-0.9 1,-0.1 4,-0.7 -0.329 70.7 147.4-133.6 53.7 53.1 74.5 43.1 560 612 B P T 34 + 0 0 19 0, 0.0 -102,-0.4 0, 0.0 -3,-0.1 0.700 69.3 56.6 -68.0 -19.4 51.0 71.3 43.9 561 613 B L T 34 S+ 0 0 33 1,-0.2 -94,-0.1 -3,-0.1 -95,-0.0 0.782 116.1 33.5 -80.6 -25.7 47.9 73.2 44.7 562 614 B D T <4 S+ 0 0 95 -3,-0.9 -1,-0.2 -6,-0.2 -99,-0.0 0.310 97.9 123.2-115.2 3.1 47.7 75.1 41.4 563 615 B T < + 0 0 1 -4,-0.7 -8,-0.2 -7,-0.2 2,-0.1 -0.959 50.9 34.4-131.3 149.0 49.1 72.6 38.9 564 616 B P S S+ 0 0 21 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 0.588 83.3 150.2 -75.4 158.4 48.3 71.2 36.4 565 617 B Q E +G 553 0L 22 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-0.144 76.3 101.5-117.3 36.6 12.8 53.9 54.6 674 727 B Y S < S- 0 0 35 -3,-1.2 -1,-0.1 -9,-0.2 -4,-0.1 0.732 104.8 -0.8 -88.1 -30.3 13.6 52.8 51.0 675 728 B R S > S+ 0 0 71 -3,-0.2 4,-2.2 -4,-0.2 5,-0.2 0.353 97.4 104.7-144.4 5.1 13.6 56.3 49.5 676 729 B D H > S+ 0 0 24 1,-0.2 4,-1.3 2,-0.2 -3,-0.1 0.907 92.3 37.5 -64.8 -43.9 12.8 58.9 52.2 677 730 B Q H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.694 111.7 62.1 -79.7 -17.8 16.3 60.2 52.7 678 731 B T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.870 101.2 50.9 -72.5 -39.1 16.9 59.9 48.9 679 732 B E H X S+ 0 0 58 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.917 113.4 47.0 -59.6 -42.1 14.1 62.4 48.3 680 733 B L H <>S+ 0 0 16 -4,-1.3 5,-2.6 1,-0.2 4,-0.4 0.859 109.2 52.8 -68.3 -36.9 15.9 64.7 50.8 681 734 B F H ><5S+ 0 0 1 -4,-2.1 3,-0.8 -19,-0.3 -1,-0.2 0.897 105.1 55.9 -64.1 -39.0 19.3 64.1 49.2 682 735 B S H 3<5S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.903 114.3 38.9 -56.4 -45.3 17.8 65.1 45.8 683 736 B R T 3<5S- 0 0 142 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.427 110.5-126.4 -85.6 -0.9 16.7 68.4 47.4 684 737 B Q T < 5 + 0 0 44 -3,-0.8 2,-0.7 -4,-0.4 -3,-0.2 0.906 56.0 151.9 52.6 47.9 20.0 68.6 49.4 685 738 B Q < - 0 0 91 -5,-2.6 -1,-0.2 -8,-0.1 -2,-0.1 -0.863 28.8-160.9-111.4 96.0 18.1 69.1 52.7 686 739 B W - 0 0 12 -2,-0.7 2,-0.3 -3,-0.1 -26,-0.2 -0.313 8.8-149.9 -76.7 160.9 20.3 67.6 55.5 687 740 B Q E -O 659 0C 58 -28,-2.9 -28,-2.6 -2,-0.0 2,-0.1 -0.865 23.1 -83.9-131.3 161.5 18.7 66.8 58.8 688 741 B T E -O 658 0C 80 -2,-0.3 -30,-0.3 -30,-0.2 -32,-0.0 -0.396 29.7-143.8 -61.4 139.4 19.5 66.6 62.5 689 742 B L - 0 0 6 -32,-2.7 -32,-0.4 -2,-0.1 2,-0.2 -0.910 26.2-139.7-101.3 97.2 21.2 63.4 63.6 690 743 B P + 0 0 14 0, 0.0 -680,-0.1 0, 0.0 -34,-0.1 -0.446 39.2 154.0 -73.1 129.7 19.5 63.0 67.1 691 744 B F + 0 0 9 -36,-0.2 2,-0.1 -2,-0.2 -35,-0.1 0.724 46.3 69.9-119.9 -48.5 22.0 61.8 69.8 692 745 B S S > S- 0 0 38 -37,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.388 85.4-114.5 -75.4 155.7 20.9 63.0 73.3 693 746 B D H > S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.879 119.6 55.8 -55.4 -36.0 17.8 61.6 75.0 694 747 B R H > S+ 0 0 212 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.900 108.8 45.0 -63.3 -43.7 16.3 65.1 74.7 695 748 B Q H 4 S+ 0 0 56 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.916 113.8 49.4 -65.4 -43.1 16.8 65.1 70.9 696 749 B I H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.946 111.7 49.4 -61.7 -47.4 15.5 61.6 70.5 697 750 B D H 3< S+ 0 0 106 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.742 102.5 61.2 -63.6 -27.7 12.4 62.5 72.7 698 751 B A T 3< S+ 0 0 79 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.596 79.8 105.2 -73.2 -11.2 11.6 65.6 70.7 699 752 B D X - 0 0 28 -3,-1.5 3,-2.2 -4,-0.4 -3,-0.0 -0.598 60.9-155.5 -79.2 115.3 11.2 63.6 67.5 700 753 B P T 3 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.673 94.1 56.6 -66.8 -11.4 7.4 63.3 66.7 701 754 B Q T 3 S+ 0 0 122 2,-0.1 -692,-0.1 -3,-0.0 -2,-0.1 0.340 78.1 144.5 -92.8 6.3 8.1 60.1 64.7 702 755 B L < + 0 0 53 -3,-2.2 2,-0.3 -6,-0.2 -692,-0.2 -0.185 23.1 177.8 -53.6 128.6 9.6 58.4 67.8 703 756 B Q E -A 9 0A 117 -694,-1.9 -694,-2.7 2,-0.0 2,-0.3 -0.944 7.6-163.3-129.6 155.7 8.9 54.7 68.0 704 757 B R E +A 8 0A 165 -2,-0.3 2,-0.3 -696,-0.2 -696,-0.2 -0.999 12.2 173.0-145.7 137.8 10.1 52.1 70.6 705 758 B L E -A 7 0A 66 -698,-2.5 -698,-3.4 -2,-0.3 2,-0.4 -0.985 14.4-156.6-141.8 136.5 10.3 48.3 71.0 706 759 B S E -A 6 0A 77 -2,-0.3 2,-0.3 -700,-0.2 -700,-0.2 -0.953 18.7-175.0-110.5 135.4 11.9 46.2 73.7 707 760 B I E +A 5 0A 9 -702,-2.5 -702,-2.6 -2,-0.4 2,-0.3 -0.957 8.5 165.6-130.2 147.6 12.9 42.6 72.7 708 761 B R E A 4 0A 180 -2,-0.3 -704,-0.2 -704,-0.2 -706,-0.1 -0.987 360.0 360.0-151.6 157.1 14.3 39.7 74.6 709 762 B E 0 0 91 -706,-2.2 -705,-0.1 -2,-0.3 -1,-0.1 0.249 360.0 360.0-151.7 360.0 14.9 35.9 74.3