==== 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 08-JAN-04 1V8F . COMPND 2 MOLECULE: PANTOATE-BETA-ALANINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR B.BAGAUTDINOV,T.H.TAHIROV,RIKEN STRUCTURAL GENOMICS/PROTEOMI . 552 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 26 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 6 0 2 2 0 0 1 1 1 3 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 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 PARALLEL BRIDGES PER LADDER . 4 0 0 0 1 0 2 2 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 . 1 0 2 0 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 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,-0.4 0, 0.0 83,-0.2 0.000 360.0 360.0 360.0 146.7 75.9 17.4 -210.8 2 2 A R E -a 84 0A 168 81,-2.1 83,-3.2 80,-0.1 2,-0.5 -0.905 360.0-154.2-113.7 138.2 78.2 20.1 -209.4 3 3 A T E +a 85 0A 40 -2,-0.4 2,-0.3 81,-0.2 83,-0.2 -0.925 15.1 178.0-112.0 127.0 79.3 20.6 -205.8 4 4 A V E -a 86 0A 10 81,-2.9 83,-2.8 -2,-0.5 3,-0.0 -0.945 18.7-174.7-126.9 148.7 80.4 23.9 -204.5 5 5 A S + 0 0 60 -2,-0.3 84,-0.6 81,-0.2 2,-0.3 0.363 65.0 69.8-122.3 2.0 81.4 25.0 -201.0 6 6 A T S > S- 0 0 41 82,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.926 75.4-129.0-124.2 150.3 81.9 28.7 -201.4 7 7 A V H > S+ 0 0 16 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.837 109.4 58.2 -61.2 -33.7 79.4 31.6 -201.9 8 8 A A H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 108.0 43.1 -63.4 -47.8 81.6 32.8 -204.9 9 9 A E H > S+ 0 0 95 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.880 114.6 53.8 -65.5 -37.2 81.3 29.5 -206.8 10 10 A L H >X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 3,-0.7 0.965 108.9 44.7 -61.5 -56.8 77.6 29.3 -205.9 11 11 A R H 3< S+ 0 0 118 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.843 112.5 53.7 -58.0 -35.7 76.7 32.7 -207.3 12 12 A A H 3< S+ 0 0 88 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.777 110.6 46.0 -70.9 -27.2 78.7 32.1 -210.4 13 13 A A H << S+ 0 0 45 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.555 91.6 101.0 -93.3 -8.6 76.9 28.8 -211.2 14 14 A L < - 0 0 32 -4,-1.0 2,-0.1 -3,-0.4 5,-0.0 -0.602 64.3-138.3 -85.5 134.0 73.4 30.1 -210.6 15 15 A P - 0 0 50 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 -0.392 21.3-120.8 -79.1 166.4 71.0 31.0 -213.5 16 16 A R S S+ 0 0 126 -2,-0.1 2,-0.3 2,-0.1 3,-0.1 0.729 89.4 23.8 -81.8 -22.5 68.9 34.1 -213.1 17 17 A E S S+ 0 0 105 1,-0.1 121,-0.0 121,-0.0 -1,-0.0 -0.859 101.1 41.7-137.0 170.4 65.6 32.3 -213.4 18 18 A G + 0 0 7 -2,-0.3 27,-2.3 1,-0.2 2,-0.6 0.749 66.8 155.4 65.4 29.6 64.0 28.8 -213.0 19 19 A V E -b 45 0A 2 117,-0.2 119,-2.6 25,-0.1 120,-1.7 -0.792 24.6-168.8 -96.4 124.0 65.7 27.8 -209.8 20 20 A G E -bc 46 139A 0 25,-3.0 27,-2.8 -2,-0.6 2,-0.4 -0.929 15.7-159.2-106.3 130.1 64.1 25.3 -207.5 21 21 A F E -bc 47 140A 0 118,-2.9 120,-2.9 -2,-0.5 27,-0.2 -0.936 19.7-175.6-123.2 135.0 65.7 25.1 -204.1 22 22 A V E -b 48 0A 0 25,-2.3 27,-1.5 -2,-0.4 2,-0.3 -0.877 13.5-160.0-124.4 98.3 65.8 22.4 -201.3 23 23 A P E +b 49 0A 24 0, 0.0 2,-0.3 0, 0.0 27,-0.1 -0.606 23.4 161.3 -79.6 134.9 67.6 23.4 -198.1 24 24 A T E -b 50 0A 16 25,-1.6 27,-1.8 -2,-0.3 3,-0.1 -0.927 47.9-130.6-144.8 168.8 68.7 20.5 -195.9 25 25 A M - 0 0 24 1,-0.3 25,-0.2 -2,-0.3 27,-0.1 0.069 60.7-118.2-108.1 21.2 71.0 19.5 -193.1 26 26 A G S S+ 0 0 2 23,-0.3 -1,-0.3 25,-0.1 156,-0.1 -0.092 82.4 103.7 78.5-173.7 72.4 16.5 -194.9 27 27 A Y S S- 0 0 58 42,-0.2 43,-0.1 1,-0.1 -1,-0.1 0.976 71.6-151.0 53.6 58.1 72.4 12.7 -194.3 28 28 A L - 0 0 3 41,-0.2 2,-0.2 3,-0.1 -1,-0.1 -0.210 23.2-179.6 -66.5 147.3 69.7 12.5 -196.9 29 29 A H >> - 0 0 44 -3,-0.1 4,-1.8 151,-0.1 3,-1.0 -0.721 50.6 -74.5-133.2-179.0 66.9 9.9 -197.0 30 30 A R H 3> S+ 0 0 136 1,-0.3 4,-1.2 -2,-0.2 143,-0.1 0.775 126.1 61.3 -50.2 -33.0 63.9 9.1 -199.3 31 31 A G H 3> S+ 0 0 12 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.895 103.1 47.6 -64.3 -42.0 62.0 12.0 -197.8 32 32 A H H <> S+ 0 0 26 -3,-1.0 4,-2.3 1,-0.2 3,-0.5 0.915 107.4 58.3 -64.4 -40.8 64.6 14.5 -199.0 33 33 A L H X S+ 0 0 53 -4,-1.8 4,-2.6 1,-0.3 -1,-0.2 0.795 99.7 57.4 -59.5 -29.4 64.4 12.8 -202.4 34 34 A A H X S+ 0 0 32 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.3 0.895 107.4 47.8 -67.8 -39.8 60.7 13.5 -202.6 35 35 A L H X S+ 0 0 17 -4,-1.2 4,-2.3 -3,-0.5 -2,-0.2 0.914 112.9 49.5 -65.2 -43.3 61.4 17.2 -202.2 36 36 A V H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.890 109.4 49.8 -64.3 -41.3 64.1 17.0 -204.8 37 37 A E H X S+ 0 0 54 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.908 110.5 51.5 -65.3 -38.9 61.9 15.2 -207.3 38 38 A R H X S+ 0 0 90 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.935 113.2 44.4 -61.7 -47.3 59.2 17.8 -206.8 39 39 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.908 112.1 52.8 -64.5 -42.3 61.7 20.6 -207.4 40 40 A R H < S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 110.7 47.1 -61.8 -38.7 63.2 18.8 -210.5 41 41 A R H < S+ 0 0 184 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.829 118.5 40.0 -73.1 -32.5 59.8 18.4 -212.1 42 42 A E H < S+ 0 0 71 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.537 117.0 44.9 -96.3 -7.1 58.7 22.0 -211.5 43 43 A N < - 0 0 10 -4,-1.4 -24,-0.1 -5,-0.1 -1,-0.1 -0.988 64.9-139.6-139.7 147.2 61.9 23.8 -212.2 44 44 A P S S+ 0 0 106 0, 0.0 2,-0.4 0, 0.0 -25,-0.1 0.782 95.1 41.9 -74.9 -25.1 64.6 23.7 -214.9 45 45 A F E S-b 19 0A 42 -27,-2.3 -25,-3.0 -6,-0.1 2,-0.5 -0.983 72.2-161.7-127.3 124.9 67.5 24.1 -212.5 46 46 A V E -b 20 0A 0 -2,-0.4 38,-2.1 35,-0.2 37,-1.2 -0.912 6.1-174.7-113.1 130.8 67.7 22.4 -209.1 47 47 A V E -bd 21 84A 0 -27,-2.8 -25,-2.3 -2,-0.5 2,-0.4 -0.971 1.3-172.6-121.6 134.2 69.9 23.5 -206.2 48 48 A V E -bd 22 85A 1 36,-2.5 38,-2.8 -2,-0.4 2,-0.4 -0.992 8.0-155.4-127.4 132.9 70.2 21.6 -202.9 49 49 A S E -bd 23 86A 0 -27,-1.5 -25,-1.6 -2,-0.4 2,-0.5 -0.866 4.1-166.0-109.5 143.0 72.1 22.9 -199.9 50 50 A V E +b 24 0A 16 36,-2.5 2,-0.2 -2,-0.4 -25,-0.2 -0.983 30.4 138.7-126.5 114.7 73.5 20.6 -197.2 51 51 A F - 0 0 14 -27,-1.8 2,-1.0 -2,-0.5 -25,-0.1 -0.797 47.4-140.3-163.2 113.8 74.5 22.5 -194.0 52 52 A V - 0 0 14 -2,-0.2 -27,-0.1 -27,-0.1 -2,-0.0 -0.689 32.3-145.2 -76.5 107.7 74.1 21.5 -190.4 53 53 A N > - 0 0 2 -2,-1.0 3,-1.4 1,-0.2 4,-0.2 -0.674 14.9-164.2 -83.2 105.8 73.1 25.0 -189.1 54 54 A P G > S+ 0 0 34 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.836 82.9 71.0 -57.2 -32.4 74.5 25.6 -185.5 55 55 A L G 3 S+ 0 0 43 1,-0.3 68,-0.3 68,-0.2 69,-0.2 0.769 95.8 51.5 -57.9 -28.2 72.2 28.6 -185.0 56 56 A Q G < S+ 0 0 20 -3,-1.4 2,-0.3 67,-0.3 -1,-0.3 0.353 96.4 85.4 -93.8 9.1 69.1 26.3 -184.8 57 57 A F < - 0 0 25 -3,-2.0 60,-0.0 -4,-0.2 0, 0.0 -0.841 68.1-139.4-108.9 147.8 70.6 24.0 -182.1 58 58 A G > - 0 0 25 -2,-0.3 3,-1.6 1,-0.1 5,-0.4 -0.542 31.7-102.3 -95.8 166.6 70.6 24.5 -178.4 59 59 A P T 3 S+ 0 0 148 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.846 120.8 45.2 -59.1 -35.3 73.5 23.8 -176.0 60 60 A G T 3 S+ 0 0 79 2,-0.0 -3,-0.0 3,-0.0 0, 0.0 0.330 101.3 88.8 -92.2 10.3 72.0 20.5 -174.7 61 61 A E S < S- 0 0 59 -3,-1.6 3,-0.2 1,-0.0 -4,-0.1 0.112 91.5 -85.3 -90.4-154.9 71.0 19.2 -178.2 62 62 A D S > S+ 0 0 12 1,-0.2 4,-1.6 2,-0.1 3,-0.2 0.055 72.4 125.1-108.3 26.4 72.8 17.2 -180.9 63 63 A Y T 4 S+ 0 0 57 -5,-0.4 3,-0.4 1,-0.2 -1,-0.2 0.916 81.1 46.1 -49.5 -48.2 74.8 19.6 -183.0 64 64 A H T 4 S+ 0 0 173 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.854 119.7 37.3 -67.3 -35.2 78.0 17.7 -182.4 65 65 A R T 4 S+ 0 0 140 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.466 80.4 133.6 -97.1 0.5 76.6 14.2 -183.1 66 66 A Y S < S- 0 0 18 -4,-1.6 -39,-0.1 -3,-0.4 -14,-0.1 -0.236 71.4 -95.0 -51.8 132.0 74.2 15.2 -185.9 67 67 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.241 49.4-178.2 -55.4 128.5 74.7 12.6 -188.7 68 68 A R + 0 0 123 -3,-0.1 -42,-0.1 -42,-0.1 2,-0.1 -0.996 23.3 141.0-135.7 129.9 77.2 13.8 -191.4 69 69 A D > + 0 0 71 -2,-0.4 4,-1.8 1,-0.0 -42,-0.2 -0.478 13.9 176.9-166.3 82.0 78.3 12.0 -194.6 70 70 A L H > S+ 0 0 73 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.846 80.2 59.1 -61.0 -37.8 78.7 14.4 -197.6 71 71 A E H > S+ 0 0 120 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 107.0 45.9 -59.9 -45.1 79.9 11.7 -199.9 72 72 A R H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 113.0 51.2 -64.8 -38.5 76.7 9.6 -199.5 73 73 A D H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.895 109.6 50.1 -64.8 -40.3 74.6 12.8 -199.9 74 74 A R H X S+ 0 0 95 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.921 109.3 50.5 -64.2 -44.6 76.5 13.7 -203.1 75 75 A A H X S+ 0 0 66 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.914 113.0 47.5 -59.6 -43.5 76.0 10.2 -204.6 76 76 A L H X S+ 0 0 54 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.911 113.7 44.7 -64.8 -46.7 72.3 10.4 -203.8 77 77 A L H <>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 4,-0.4 0.831 107.4 61.8 -68.2 -32.0 71.8 13.9 -205.3 78 78 A Q H ><5S+ 0 0 102 -4,-2.3 3,-1.0 -5,-0.2 -1,-0.2 0.932 108.2 41.4 -58.6 -47.9 73.8 12.9 -208.3 79 79 A E H 3<5S+ 0 0 168 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.811 106.3 65.2 -69.7 -31.1 71.3 10.2 -209.2 80 80 A A T 3<5S- 0 0 24 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.520 115.0-111.3 -71.5 -5.8 68.4 12.4 -208.4 81 81 A G T < 5 + 0 0 39 -3,-1.0 -35,-0.2 -4,-0.4 2,-0.2 0.725 55.8 167.2 83.2 21.6 69.3 14.8 -211.3 82 82 A V < - 0 0 4 -5,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.472 25.8-157.9 -71.5 139.0 70.3 17.7 -209.1 83 83 A D S S+ 0 0 65 -37,-1.2 -81,-2.1 1,-0.3 2,-0.4 0.905 73.0 17.3 -82.7 -44.9 72.2 20.5 -210.9 84 84 A L E -ad 2 47A 2 -38,-2.1 -36,-2.5 -83,-0.2 2,-0.5 -0.993 57.3-163.8-138.8 130.2 74.0 22.1 -208.0 85 85 A L E -ad 3 48A 0 -83,-3.2 -81,-2.9 -2,-0.4 2,-0.7 -0.959 9.5-159.6-112.8 120.9 74.9 21.0 -204.5 86 86 A F E +ad 4 49A 0 -38,-2.8 -36,-2.5 -2,-0.5 -81,-0.2 -0.898 18.3 167.8-103.5 109.9 75.9 23.8 -202.1 87 87 A A + 0 0 16 -83,-2.8 -36,-0.1 -2,-0.7 2,-0.1 -0.671 13.5 177.5-124.9 76.8 77.8 22.3 -199.1 88 88 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -82,-0.1 -0.357 27.1-122.0 -79.6 156.0 79.5 25.2 -197.2 89 89 A G >> - 0 0 44 -84,-0.6 4,-1.9 1,-0.1 3,-0.7 -0.492 34.7-103.6 -88.0 166.9 81.5 25.0 -194.0 90 90 A V H 3> S+ 0 0 60 1,-0.3 4,-3.2 2,-0.2 -1,-0.1 0.869 122.7 58.0 -58.8 -37.2 80.4 26.9 -191.0 91 91 A E H 34 S+ 0 0 166 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.809 107.0 47.6 -63.3 -31.9 83.1 29.5 -191.7 92 92 A E H <4 S+ 0 0 58 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.887 116.8 41.4 -78.2 -39.1 81.7 30.1 -195.2 93 93 A M H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.904 132.2 22.8 -74.1 -41.0 78.1 30.5 -193.9 94 94 A Y S < S- 0 0 27 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.620 82.7-173.3-128.7 73.3 78.9 32.6 -190.9 95 95 A P > - 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0 0 19 -3,-1.4 -3,-0.0 -4,-0.4 79,-0.0 -0.246 69.6-136.3 -58.2 132.8 65.2 74.4 -184.8 465 188 B S > - 0 0 42 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.369 33.8 -99.2 -80.1 166.9 64.1 77.9 -183.8 466 189 B P H > S+ 0 0 114 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.855 124.7 48.0 -57.0 -34.3 65.9 80.8 -185.3 467 190 B E H >> S+ 0 0 92 2,-0.2 4,-0.6 1,-0.2 3,-0.6 0.886 111.3 46.6 -74.8 -41.7 68.0 81.1 -182.1 468 191 B T H >> S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 3,-0.8 0.835 102.8 65.6 -70.4 -31.3 69.0 77.5 -181.8 469 192 B R H 3< S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 96.6 57.4 -59.2 -29.7 69.9 77.4 -185.5 470 193 B K H << S+ 0 0 160 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.809 111.5 40.3 -71.3 -31.0 72.7 79.8 -184.6 471 194 B K H X< S+ 0 0 58 -3,-0.8 3,-1.9 -4,-0.6 -2,-0.2 0.665 93.4 86.5 -90.5 -20.3 74.2 77.4 -182.1 472 195 B A T >< S+ 0 0 1 -4,-1.8 3,-1.4 1,-0.3 4,-0.4 0.784 71.2 73.9 -52.4 -34.1 73.6 74.3 -184.1 473 196 B P T 3> S+ 0 0 12 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.563 73.1 90.9 -61.0 -2.6 77.0 74.6 -186.0 474 197 B V H <> S+ 0 0 0 -3,-1.9 4,-2.6 2,-0.2 5,-0.2 0.827 77.8 57.5 -64.1 -32.7 78.7 73.5 -182.8 475 198 B L H <> S+ 0 0 4 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.977 111.4 40.8 -61.8 -54.8 78.6 69.8 -183.8 476 199 B Y H > S+ 0 0 57 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.867 113.9 55.9 -59.9 -37.0 80.5 70.3 -187.0 477 200 B R H X S+ 0 0 114 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.927 107.1 48.0 -61.4 -46.6 82.8 72.8 -185.2 478 201 B A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.925 111.3 51.0 -60.8 -44.7 83.7 70.2 -182.6 479 202 B L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.900 109.7 49.6 -60.4 -42.4 84.4 67.6 -185.3 480 203 B L H X S+ 0 0 49 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.858 105.4 58.1 -65.4 -35.6 86.7 70.1 -187.2 481 204 B A H X S+ 0 0 19 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.888 108.6 45.9 -61.2 -39.7 88.6 70.8 -184.0 482 205 B M H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.935 111.1 50.5 -69.9 -45.7 89.4 67.2 -183.7 483 206 B R H X S+ 0 0 113 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.880 108.4 55.7 -58.9 -36.9 90.5 66.8 -187.3 484 207 B E H X S+ 0 0 119 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.940 107.7 46.1 -61.2 -49.0 92.7 69.9 -186.8 485 208 B V H <>S+ 0 0 19 -4,-1.8 5,-2.8 1,-0.2 4,-0.4 0.933 111.1 53.3 -59.4 -45.8 94.5 68.3 -183.9 486 209 B A H ><5S+ 0 0 7 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.867 109.6 49.1 -57.4 -37.3 94.9 65.1 -185.9 487 210 B G H 3<5S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.806 106.8 55.0 -73.2 -29.1 96.4 67.0 -188.7 488 211 B Q T 3<5S- 0 0 147 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.434 126.0 -99.5 -82.8 -0.3 98.8 68.9 -186.4 489 212 B G T < 5S+ 0 0 67 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.577 71.5 152.5 94.0 10.6 100.1 65.5 -185.2 490 213 B G < - 0 0 8 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.1 -0.221 45.5-105.2 -71.1 164.0 98.1 65.4 -182.0 491 214 B S > - 0 0 44 1,-0.1 4,-2.2 36,-0.0 5,-0.2 -0.363 31.1-104.5 -83.7 167.9 97.1 62.2 -180.3 492 215 B V H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.934 124.1 50.6 -57.2 -45.6 93.6 60.7 -180.3 493 216 B A H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 109.2 50.2 -58.4 -45.9 93.2 61.9 -176.7 494 217 B E H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.852 109.5 52.2 -61.8 -35.7 94.3 65.4 -177.5 495 218 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.919 107.6 51.4 -67.3 -43.4 91.9 65.5 -180.4 496 219 B L H X S+ 0 0 34 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.895 107.9 53.0 -59.9 -41.5 89.0 64.4 -178.1 497 220 B R H X S+ 0 0 139 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.939 107.3 50.5 -59.4 -49.2 89.9 67.2 -175.7 498 221 B A H X S+ 0 0 24 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.872 112.8 48.0 -56.7 -38.9 89.8 69.8 -178.5 499 222 B G H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.897 109.0 52.3 -69.7 -41.0 86.4 68.5 -179.5 500 223 B E H X S+ 0 0 54 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.926 107.4 53.0 -60.2 -46.3 85.1 68.5 -175.9 501 224 B E H X S+ 0 0 133 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.896 105.5 54.2 -56.0 -44.1 86.1 72.2 -175.5 502 225 B A H < S+ 0 0 17 -4,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.916 111.8 44.1 -58.3 -44.5 84.2 73.2 -178.6 503 226 B L H >< S+ 0 0 10 -4,-1.7 3,-2.2 1,-0.2 6,-0.3 0.886 105.3 62.1 -67.7 -39.6 81.0 71.6 -177.3 504 227 B R H 3< S+ 0 0 186 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.762 91.2 67.8 -58.3 -27.1 81.5 73.0 -173.8 505 228 B A T 3< S+ 0 0 77 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.593 101.5 50.3 -70.4 -10.3 81.3 76.5 -175.3 506 229 B V X + 0 0 10 -3,-2.2 3,-2.1 -4,-0.1 -1,-0.3 -0.658 63.7 172.1-130.3 76.2 77.6 75.8 -176.1 507 230 B P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.662 72.7 74.2 -57.6 -20.6 76.0 74.5 -172.8 508 231 B E T 3 S+ 0 0 81 -3,-0.1 2,-0.7 1,-0.1 31,-0.0 0.786 83.5 81.2 -64.5 -25.4 72.5 74.6 -174.5 509 232 B F S < S- 0 0 11 -3,-2.1 2,-0.9 -6,-0.3 31,-0.2 -0.744 74.8-153.6 -86.8 111.3 73.7 71.6 -176.4 510 233 B R E -Q 539 0G 191 29,-2.4 29,-2.1 -2,-0.7 2,-0.1 -0.766 18.6-137.4 -87.8 106.4 73.3 68.4 -174.2 511 234 B K E -Q 538 0G 94 -2,-0.9 27,-0.3 27,-0.3 3,-0.1 -0.359 26.2-179.0 -68.2 136.8 75.9 66.0 -175.4 512 235 B D E S- 0 0 54 25,-3.2 2,-0.3 1,-0.4 26,-0.2 0.822 72.2 -25.3 -94.7 -48.9 75.0 62.3 -175.9 513 236 B Y E -Q 537 0G 24 24,-1.4 24,-1.8 2,-0.0 -1,-0.4 -0.987 46.6-166.7-162.1 158.0 78.5 61.2 -177.0 514 237 B L E +Q 536 0G 16 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.894 32.2 143.8-150.9 116.8 81.7 62.5 -178.7 515 238 B A E -Q 535 0G 9 20,-2.2 20,-2.9 -2,-0.3 2,-0.5 -0.961 48.1-127.5-153.1 168.4 84.3 60.0 -179.9 516 239 B I E +Q 534 0G 4 -2,-0.3 9,-2.4 18,-0.2 18,-0.2 -0.982 45.7 177.5-120.1 111.6 86.9 59.1 -182.5 517 240 B V E -QR 533 524G 0 16,-3.1 16,-2.9 -2,-0.5 6,-0.0 -0.729 36.8 -85.8-121.5 166.5 86.1 55.5 -183.7 518 241 B H > - 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