==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-FEB-12 4DUA . COMPND 2 MOLECULE: CYTOCHROME P450 BM3 VARIANT 9D7; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR E.M.BRUSTAD,V.S.LELYVELD,C.D.SNOW,N.CROOK,F.M.MARTINEZ,T.J.S . 914 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 637 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 43 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 370 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 4 2 0 4 0 0 4 0 2 2 2 2 0 0 4 0 2 0 0 0 0 0 0 0 2 0 2 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 . 0 2 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 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 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 T 0 0 158 0, 0.0 343,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.1 7.2 37.3 22.6 2 2 A I - 0 0 131 1,-0.1 2,-0.3 343,-0.0 343,-0.2 0.024 360.0-179.3 -45.1 120.7 6.2 35.9 19.1 3 3 A K - 0 0 69 341,-2.5 2,-0.4 3,-0.0 -1,-0.1 -0.789 32.4-110.2-111.5 157.6 9.2 34.5 17.1 4 4 A E - 0 0 92 -2,-0.3 3,-0.1 341,-0.1 341,-0.0 -0.734 43.1-114.8 -79.9 137.1 9.6 33.0 13.6 5 5 A M - 0 0 36 -2,-0.4 35,-0.1 1,-0.1 36,-0.1 -0.564 31.8-109.8 -71.7 132.8 10.3 29.3 13.9 6 6 A P - 0 0 44 0, 0.0 35,-2.9 0, 0.0 -1,-0.1 -0.205 39.4-177.4 -56.9 151.4 13.7 28.3 12.7 7 7 A Q - 0 0 54 33,-0.2 35,-0.1 -3,-0.1 3,-0.1 -0.974 25.7-115.4-149.7 138.9 13.7 26.2 9.5 8 8 A P - 0 0 10 0, 0.0 35,-0.1 0, 0.0 33,-0.0 -0.199 58.1 -65.8 -71.4 167.8 16.6 24.6 7.5 9 9 A K - 0 0 145 7,-0.1 2,-0.3 1,-0.1 10,-0.2 -0.245 51.2-144.3 -54.5 131.4 17.4 25.8 4.0 10 10 A T - 0 0 46 -3,-0.1 2,-0.6 6,-0.1 6,-0.2 -0.788 1.1-148.8 -93.2 144.2 14.6 25.1 1.4 11 11 A F > - 0 0 88 4,-2.7 3,-1.9 -2,-0.3 4,-0.3 -0.791 47.9 -83.0-114.2 91.0 15.4 24.2 -2.1 12 12 A G G > S- 0 0 53 -2,-0.6 3,-1.6 1,-0.3 -1,-0.2 -0.199 105.2 -13.7 46.9-135.2 12.7 25.5 -4.5 13 13 A E G 3 S+ 0 0 147 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.586 130.9 70.4 -73.8 -11.2 9.7 23.1 -4.7 14 14 A L G X S- 0 0 79 -3,-1.9 3,-1.7 1,-0.2 -1,-0.3 0.722 81.1-176.5 -74.7 -17.6 11.8 20.3 -3.0 15 15 A K T < - 0 0 72 -3,-1.6 -4,-2.7 -4,-0.3 -1,-0.2 -0.382 64.2 -23.7 54.6-128.2 11.5 22.4 0.2 16 16 A N T > S+ 0 0 0 27,-2.5 3,-2.0 -6,-0.2 4,-0.3 0.461 110.5 103.4 -89.1 -3.2 13.6 20.6 2.9 17 17 A L G X + 0 0 74 -3,-1.7 3,-2.1 26,-0.4 -1,-0.2 0.834 68.7 63.8 -51.8 -36.9 13.4 17.2 1.4 18 18 A P G > S+ 0 0 58 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.723 96.4 60.2 -64.4 -15.9 17.0 17.2 0.0 19 19 A L G < S+ 0 0 65 -3,-2.0 -2,-0.2 1,-0.2 13,-0.1 0.512 103.7 52.7 -86.0 -8.7 18.4 17.4 3.6 20 20 A L G < + 0 0 21 -3,-2.1 2,-1.7 -4,-0.3 -1,-0.2 -0.140 63.6 135.9-120.2 43.2 16.7 14.1 4.4 21 21 A N < + 0 0 154 -3,-0.6 2,-0.3 3,-0.1 -4,-0.0 -0.592 50.2 94.9 -90.6 84.8 17.9 11.8 1.7 22 22 A T S S- 0 0 46 -2,-1.7 -3,-0.0 1,-0.0 -2,-0.0 -0.986 78.0-128.2-166.7 150.4 18.6 8.9 4.0 23 23 A D S S+ 0 0 111 -2,-0.3 412,-0.5 1,-0.2 3,-0.1 0.206 107.3 63.1 -88.0 9.6 17.2 5.7 5.5 24 24 A K > + 0 0 71 1,-0.1 4,-1.8 410,-0.1 -1,-0.2 -0.507 59.1 154.9-128.6 63.3 18.2 7.2 8.9 25 25 A P H > + 0 0 44 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.819 69.6 55.5 -67.9 -32.1 16.0 10.3 9.2 26 26 A V H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.928 109.5 47.1 -62.6 -46.5 16.0 10.4 13.0 27 27 A Q H > S+ 0 0 34 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.874 114.0 49.2 -61.4 -34.9 19.7 10.5 13.1 28 28 A A H X S+ 0 0 18 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.863 109.2 52.0 -73.3 -37.6 19.7 13.2 10.3 29 29 A L H X S+ 0 0 6 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.815 102.9 58.7 -67.9 -29.8 17.1 15.3 12.2 30 30 A M H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.883 105.3 51.4 -64.8 -37.4 19.2 15.2 15.4 31 31 A K H X S+ 0 0 138 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.891 109.6 48.0 -68.9 -37.0 22.0 16.9 13.4 32 32 A I H X S+ 0 0 17 -4,-1.5 4,-3.2 2,-0.2 5,-0.3 0.934 110.6 52.3 -66.3 -42.9 19.6 19.5 12.2 33 33 A A H X S+ 0 0 3 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.903 105.4 54.6 -56.7 -41.5 18.4 20.0 15.9 34 34 A D H < S+ 0 0 120 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.848 115.7 40.6 -57.8 -38.5 22.1 20.5 16.9 35 35 A E H < S+ 0 0 146 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.928 128.2 27.7 -74.5 -43.7 22.3 23.3 14.3 36 36 A L H < S- 0 0 45 -4,-3.2 3,-0.3 1,-0.3 2,-0.2 0.577 100.6-132.1-105.5 -17.7 18.9 25.0 14.8 37 37 A G < - 0 0 34 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.1 -0.651 53.7 -17.3 107.1-156.2 17.9 24.3 18.5 38 38 A E S S+ 0 0 50 -2,-0.2 15,-3.1 1,-0.2 16,-0.7 0.644 123.2 27.4 -77.4 -20.1 15.0 23.2 20.4 39 39 A I E +A 52 0A 2 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.988 61.6 162.8-144.8 135.5 12.4 23.7 17.7 40 40 A F E -A 51 0A 0 11,-1.6 11,-3.0 -2,-0.3 2,-0.4 -0.996 30.9-126.9-146.8 153.0 12.4 23.7 13.9 41 41 A K E -A 50 0A 65 -35,-2.9 2,-0.4 -2,-0.3 9,-0.2 -0.802 21.8-164.0 -91.0 139.0 9.9 23.5 11.1 42 42 A F E -A 49 0A 0 7,-3.1 7,-2.2 -2,-0.4 2,-0.4 -0.995 5.6-166.7-127.6 126.3 10.5 20.9 8.4 43 43 A E E +A 48 0A 43 -2,-0.4 -27,-2.5 5,-0.2 -26,-0.4 -0.943 12.1 173.1-117.3 129.9 8.7 21.1 5.1 44 44 A A E > -A 47 0A 9 3,-2.4 3,-2.4 -2,-0.4 -29,-0.1 -0.857 59.4 -69.4-118.2 162.4 8.4 18.5 2.4 45 45 A P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 -31,-0.0 -0.393 125.5 0.9 -54.6 123.5 6.1 18.9 -0.7 46 46 A G T 3 S+ 0 0 93 -2,-0.1 2,-0.4 1,-0.1 -3,-0.0 0.407 120.6 84.1 77.1 -1.0 2.7 18.7 0.9 47 47 A R E < -A 44 0A 110 -3,-2.4 -3,-2.4 2,-0.0 2,-0.4 -0.992 46.9-176.7-136.2 141.0 3.7 18.2 4.5 48 48 A V E +A 43 0A 57 -2,-0.4 2,-0.3 -5,-0.2 304,-0.3 -0.997 12.5 165.1-130.0 135.7 4.8 20.5 7.3 49 49 A T E -A 42 0A 10 -7,-2.2 -7,-3.1 -2,-0.4 2,-0.4 -0.989 26.9-135.9-144.8 152.7 5.9 19.4 10.7 50 50 A R E -Ab 41 353A 24 302,-1.3 304,-3.9 -2,-0.3 2,-0.6 -0.965 16.0-149.1-110.9 132.2 7.7 20.9 13.8 51 51 A Y E -Ab 40 354A 19 -11,-3.0 -11,-1.6 -2,-0.4 2,-0.5 -0.864 9.3-160.4-105.3 122.8 10.4 19.1 15.6 52 52 A L E +Ab 39 355A 0 302,-2.7 304,-2.9 -2,-0.6 308,-0.3 -0.871 21.4 160.9-109.2 135.8 10.8 19.6 19.3 53 53 A S + 0 0 8 -15,-3.1 2,-0.3 -2,-0.5 309,-0.2 0.451 45.5 86.0-126.9 -16.9 14.0 18.8 21.1 54 54 A S > - 0 0 11 -16,-0.7 4,-2.5 1,-0.1 5,-0.2 -0.745 68.6-134.1 -99.7 149.3 14.2 20.7 24.4 55 55 A Q H > S+ 0 0 17 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.905 106.7 62.0 -59.7 -36.3 12.7 19.6 27.7 56 56 A R H > S+ 0 0 90 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.917 112.9 32.5 -58.4 -44.4 11.3 23.1 28.1 57 57 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.853 115.5 58.0 -82.5 -34.7 9.1 22.9 25.0 58 58 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.881 97.9 60.4 -63.3 -35.2 8.4 19.1 25.3 59 59 A K H < S+ 0 0 84 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.885 109.0 44.9 -59.4 -36.5 6.9 19.7 28.8 60 60 A E H >< S+ 0 0 48 -4,-0.7 3,-1.8 -3,-0.4 -2,-0.2 0.924 108.9 54.3 -71.2 -50.1 4.3 21.9 27.1 61 61 A A H 3< S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.754 101.6 62.1 -47.0 -31.7 3.7 19.5 24.3 62 62 A C T 3< S+ 0 0 8 -4,-1.7 2,-0.9 -5,-0.2 -1,-0.3 0.484 72.6 110.5 -84.5 -1.8 3.0 16.8 27.0 63 63 A D X> - 0 0 64 -3,-1.8 4,-2.2 1,-0.2 3,-1.6 -0.648 56.1-161.2 -72.0 103.8 -0.0 18.8 28.3 64 64 A E T 34 S+ 0 0 78 -2,-0.9 -1,-0.2 1,-0.3 5,-0.0 0.658 86.5 62.6 -67.6 -19.0 -2.9 16.6 27.2 65 65 A S T 34 S+ 0 0 86 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.698 117.5 31.8 -76.0 -19.6 -5.5 19.3 27.6 66 66 A R T <4 S+ 0 0 49 -3,-1.6 270,-2.6 1,-0.3 271,-0.6 0.674 126.7 28.0-105.8 -28.6 -3.6 21.2 24.8 67 67 A F E < -C 335 0A 5 -4,-2.2 2,-0.3 268,-0.2 -1,-0.3 -0.996 58.9-171.8-139.2 148.1 -2.1 18.3 22.6 68 68 A D E -C 334 0A 17 266,-1.8 266,-2.3 -2,-0.4 2,-0.1 -0.835 41.3 -74.4-134.9 165.5 -3.1 14.8 21.7 69 69 A K E -C 333 0A 30 -2,-0.3 2,-0.4 264,-0.2 22,-0.3 -0.388 43.5-151.9 -66.6 131.6 -1.4 12.0 19.9 70 70 A N - 0 0 9 262,-2.7 2,-0.9 283,-0.2 262,-0.4 -0.838 15.4-126.6 -97.8 143.9 -1.3 12.3 16.1 71 71 A L - 0 0 2 -2,-0.4 17,-0.1 260,-0.1 262,-0.1 -0.820 30.9-150.6 -85.6 108.4 -1.3 9.3 13.8 72 72 A S > - 0 0 32 -2,-0.9 4,-2.1 1,-0.1 5,-0.2 -0.179 31.8 -96.5 -67.8 171.1 1.7 9.9 11.6 73 73 A Q H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.875 126.9 55.8 -59.4 -35.4 1.7 8.5 8.1 74 74 A A H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.937 107.7 47.4 -61.5 -46.5 3.7 5.5 9.3 75 75 A L H > S+ 0 0 16 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.832 108.6 55.3 -68.7 -29.9 1.0 4.7 11.9 76 76 A K H < S+ 0 0 92 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.875 110.2 45.4 -71.0 -34.8 -1.7 5.1 9.3 77 77 A F H >< S+ 0 0 45 -4,-2.1 3,-1.6 1,-0.2 4,-0.4 0.932 110.8 53.2 -71.3 -41.4 -0.0 2.5 7.1 78 78 A V H >X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.3 3,-1.7 0.858 97.5 68.4 -59.8 -28.9 0.5 0.3 10.1 79 79 A R H 3X S+ 0 0 79 -4,-1.5 4,-1.7 1,-0.3 -1,-0.3 0.781 80.5 76.7 -61.1 -23.6 -3.3 0.7 10.7 80 80 A D H <4 S+ 0 0 82 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.785 116.7 15.5 -54.5 -31.6 -3.8 -1.4 7.5 81 81 A F H <4 S+ 0 0 2 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.589 129.0 50.1-116.3 -15.3 -3.0 -4.4 9.6 82 82 A A H >< S- 0 0 1 -4,-2.6 3,-1.7 1,-0.2 6,-0.2 0.445 83.1-174.6-102.8 0.9 -3.2 -3.3 13.2 83 83 A G T 3< - 0 0 8 -4,-1.7 -1,-0.2 -5,-0.3 5,-0.1 0.011 61.1 -19.1 51.0-144.1 -6.6 -1.7 12.8 84 84 A D T 3 S+ 0 0 27 3,-0.1 -1,-0.2 5,-0.1 5,-0.1 -0.121 93.1 141.6 -92.3 38.4 -8.1 0.1 15.7 85 85 A G S X S- 0 0 0 -3,-1.7 3,-0.6 171,-0.2 4,-0.2 -0.228 72.8 -90.4 -62.6 171.8 -5.7 -1.5 18.2 86 86 A L G > S+ 0 0 14 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.828 122.9 52.2 -60.5 -29.6 -4.4 0.8 21.0 87 87 A F G 3 S+ 0 0 62 1,-0.2 -1,-0.2 -5,-0.1 -8,-0.1 0.819 116.3 33.9 -82.5 -28.4 -1.3 1.9 19.0 88 88 A T G < S+ 0 0 0 -3,-0.6 2,-0.3 -6,-0.2 -1,-0.2 0.004 97.5 101.8-120.2 24.3 -2.9 3.0 15.8 89 89 A S S < S- 0 0 0 -3,-0.7 2,-0.2 -4,-0.2 -5,-0.1 -0.861 72.2-117.1-106.0 150.5 -6.2 4.4 17.1 90 90 A W > - 0 0 59 -2,-0.3 3,-1.8 1,-0.1 6,-0.3 -0.559 29.2-117.2 -77.5 153.4 -7.2 8.1 17.7 91 91 A T T 3 S+ 0 0 22 -22,-0.3 6,-0.3 1,-0.3 -1,-0.1 0.781 113.2 58.4 -63.6 -32.2 -7.8 8.9 21.4 92 92 A H T 3 S+ 0 0 143 4,-0.1 -1,-0.3 5,-0.0 2,-0.2 0.524 79.5 107.1 -77.0 -8.3 -11.4 9.8 20.5 93 93 A E S X> S- 0 0 30 -3,-1.8 4,-1.6 1,-0.1 3,-1.4 -0.562 73.0-132.7 -77.7 137.1 -12.3 6.3 19.0 94 94 A K H 3> S+ 0 0 122 1,-0.3 4,-2.3 -2,-0.2 5,-0.2 0.827 106.1 55.1 -62.3 -34.0 -14.6 4.3 21.3 95 95 A N H 3> S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.723 102.0 57.0 -71.3 -25.3 -12.4 1.3 21.0 96 96 A W H <> S+ 0 0 5 -3,-1.4 4,-3.1 -6,-0.3 5,-0.2 0.975 112.3 41.2 -61.2 -56.3 -9.3 3.2 22.1 97 97 A K H X S+ 0 0 68 -4,-1.6 4,-2.2 -6,-0.3 -2,-0.2 0.878 116.2 49.3 -64.4 -40.2 -11.0 4.1 25.4 98 98 A K H X S+ 0 0 15 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.951 115.1 42.5 -63.4 -55.9 -12.6 0.7 25.9 99 99 A A H X S+ 0 0 0 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.894 113.0 54.5 -57.4 -40.9 -9.4 -1.3 25.3 100 100 A H H X S+ 0 0 25 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.950 112.3 42.2 -59.8 -47.2 -7.4 1.2 27.4 101 101 A N H < S+ 0 0 33 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.849 118.9 45.5 -70.9 -32.8 -9.6 0.8 30.4 102 102 A I H < S+ 0 0 16 -4,-2.0 4,-0.3 -5,-0.2 -2,-0.2 0.891 118.8 39.7 -76.9 -41.1 -9.9 -3.0 30.0 103 103 A L H >X S+ 0 0 0 -4,-3.3 3,-1.0 -5,-0.2 4,-0.6 0.727 92.2 83.3 -86.7 -23.7 -6.2 -3.7 29.4 104 104 A L G >< S+ 0 0 80 -4,-2.1 3,-1.8 -5,-0.3 4,-0.4 0.886 92.0 47.9 -50.3 -49.0 -4.5 -1.3 31.8 105 105 A P G >4 S+ 0 0 89 0, 0.0 3,-0.6 0, 0.0 6,-0.3 0.780 107.4 59.2 -64.3 -25.1 -4.8 -3.5 34.9 106 106 A S G <4 S+ 0 0 12 -3,-1.0 -2,-0.2 -4,-0.3 -3,-0.1 0.562 108.8 43.9 -79.9 -6.7 -3.4 -6.4 32.8 107 107 A F G << S+ 0 0 12 -3,-1.8 297,-0.3 -4,-0.6 298,-0.3 0.296 87.7 117.8-113.9 9.6 -0.2 -4.3 32.1 108 108 A S S <> S- 0 0 43 -3,-0.6 4,-1.1 -4,-0.4 3,-0.1 -0.227 81.4-103.8 -76.9 168.6 0.6 -3.0 35.6 109 109 A Q T >4 S+ 0 0 62 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.908 125.4 52.8 -53.8 -39.8 3.7 -3.7 37.7 110 110 A Q T >4 S+ 0 0 126 1,-0.2 3,-1.8 2,-0.2 4,-0.4 0.920 101.1 57.7 -61.8 -48.0 1.4 -6.1 39.7 111 111 A A T >> S+ 0 0 21 -6,-0.3 3,-1.3 1,-0.3 4,-0.7 0.751 90.5 76.4 -53.4 -26.6 0.2 -8.0 36.6 112 112 A M H XX S+ 0 0 0 -4,-1.1 4,-1.4 -3,-0.7 3,-0.7 0.792 81.3 67.6 -58.7 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630 172 B P H 3> S+ 0 0 82 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.782 118.0 58.8 -52.0 -28.1 26.6 -28.5 6.9 631 173 B F H 3> S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 107.3 47.0 -64.3 -44.9 28.4 -31.6 8.2 632 174 B I H <> S+ 0 0 7 -3,-0.7 4,-2.7 2,-0.2 5,-0.3 0.941 109.5 52.3 -62.3 -47.8 25.1 -33.5 8.4 633 175 B T H X S+ 0 0 52 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.920 113.1 45.9 -55.2 -45.2 24.0 -32.4 4.9 634 176 B S H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.903 112.4 49.2 -64.6 -42.6 27.3 -33.7 3.5 635 177 B M H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.960 112.8 46.9 -66.9 -46.0 27.2 -37.0 5.4 636 178 B V H X S+ 0 0 58 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.907 113.9 48.4 -58.0 -43.7 23.7 -37.7 4.3 637 179 B R H X S+ 0 0 93 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.888 111.0 50.7 -65.2 -42.9 24.5 -36.8 0.7 638 180 B A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.863 109.1 51.3 -60.5 -37.2 27.6 -39.0 0.8 639 181 B L H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.940 110.9 47.9 -69.1 -44.7 25.6 -41.9 2.1 640 182 B D H X S+ 0 0 69 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.922 110.1 52.3 -54.6 -49.9 23.0 -41.5 -0.7 641 183 B E H X S+ 0 0 13 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.905 109.1 50.3 -56.7 -44.7 25.8 -41.3 -3.3 642 184 B A H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.912 113.9 44.0 -62.6 -46.2 27.3 -44.6 -2.1 643 185 B M H >< S+ 0 0 25 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.873 110.9 54.8 -62.9 -37.2 23.9 -46.4 -2.2 644 186 B N H >< S+ 0 0 82 -4,-2.9 3,-1.3 1,-0.3 4,-0.3 0.842 96.9 65.6 -68.4 -32.4 23.0 -44.9 -5.6 645 187 B K G >< S+ 0 0 45 -4,-2.0 3,-0.6 1,-0.3 -1,-0.3 0.684 89.5 66.7 -60.7 -23.6 26.2 -46.3 -7.0 646 188 B L G < S+ 0 0 49 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.806 107.4 38.0 -67.9 -32.2 25.0 -49.8 -6.4 647 189 B Q G < S+ 0 0 83 -3,-1.3 2,-1.0 -4,-0.4 -1,-0.2 0.269 88.5 111.8 -99.5 6.1 22.2 -49.4 -9.0 648 190 B R < - 0 0 30 -3,-0.6 -3,-0.0 -4,-0.3 -169,-0.0 -0.739 42.5-178.4 -89.6 100.1 24.4 -47.4 -11.4 649 191 B A S S+ 0 0 79 -2,-1.0 -1,-0.2 1,-0.3 -4,-0.0 0.908 79.8 37.7 -68.6 -43.3 24.9 -49.7 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33.4 -30.9 4.5 670 212 B M H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.955 114.7 44.6 -66.0 -49.9 33.4 -34.1 6.7 671 213 B N H X S+ 0 0 25 -4,-2.9 4,-3.5 -5,-0.2 5,-0.3 0.914 111.9 53.3 -63.1 -40.2 37.2 -34.5 7.0 672 214 B D H X S+ 0 0 80 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.947 111.9 42.2 -62.7 -52.1 37.8 -30.8 7.7 673 215 B L H X S+ 0 0 32 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.930 119.2 44.6 -54.8 -52.2 35.4 -30.4 10.6 674 216 B V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.940 113.1 49.5 -68.7 -44.9 36.4 -33.7 12.2 675 217 B D H X S+ 0 0 53 -4,-3.5 4,-2.5 -5,-0.3 -1,-0.2 0.860 111.5 51.3 -57.7 -37.7 40.2 -33.1 11.7 676 218 B K H X S+ 0 0 58 -4,-2.0 4,-3.4 -5,-0.3 5,-0.2 0.936 108.3 49.8 -64.0 -49.5 39.8 -29.6 13.3 677 219 B I H X S+ 0 0 22 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.912 113.4 47.5 -55.9 -43.1 37.9 -31.0 16.3 678 220 B I H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.928 113.4 47.1 -64.3 -44.7 40.7 -33.6 16.8 679 221 B A H X S+ 0 0 56 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.894 112.3 50.4 -68.9 -36.3 43.4 -31.0 16.4 680 222 B D H X S+ 0 0 93 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.900 109.8 50.8 -62.4 -43.2 41.6 -28.6 18.8 681 223 B R H X S+ 0 0 15 -4,-2.2 4,-1.7 -5,-0.2 5,-0.3 0.864 111.0 47.9 -66.2 -38.9 41.3 -31.3 21.4 682 224 B K H < S+ 0 0 113 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.896 111.3 50.7 -66.6 -43.7 45.0 -32.2 21.2 683 225 B A H < S+ 0 0 91 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.3 42.8 -58.3 -43.2 46.0 -28.6 21.5 684 226 B S H < S- 0 0 72 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.801 87.6-144.7 -77.9 -30.5 43.8 -28.0 24.6 685 227 B G < + 0 0 50 -4,-1.7 -3,-0.1 1,-0.2 -4,-0.1 0.486 42.5 158.3 75.0 1.4 44.5 -31.2 26.6 686 228 B E - 0 0 97 -5,-0.3 2,-0.4 1,-0.1 -1,-0.2 -0.330 29.9-151.1 -60.3 134.0 40.9 -31.1 27.8 687 229 B Q + 0 0 122 -3,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.913 24.0 163.4-103.5 133.6 39.5 -34.5 29.0 688 230 B S - 0 0 28 -2,-0.4 6,-0.0 2,-0.2 5,-0.0 -0.772 51.9 -95.1-132.8-172.5 35.8 -35.2 28.6 689 231 B D S S+ 0 0 105 -2,-0.2 2,-0.1 4,-0.1 -113,-0.1 0.252 83.5 115.0 -86.8 14.3 33.5 -38.2 28.7 690 232 B D S >> S- 0 0 0 1,-0.1 4,-1.6 -74,-0.1 3,-0.6 -0.398 79.2-113.7 -88.9 164.1 33.5 -38.6 24.9 691 233 B L H 3> S+ 0 0 6 -77,-2.2 4,-2.6 1,-0.2 5,-0.2 0.792 114.4 63.9 -56.4 -30.9 34.8 -41.4 22.6 692 234 B L H 3> S+ 0 0 0 -77,-1.3 4,-2.0 -78,-0.2 -1,-0.2 0.900 99.2 49.8 -65.8 -43.4 37.4 -39.0 21.3 693 235 B T H <> S+ 0 0 10 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.925 112.8 49.0 -57.0 -48.9 39.1 -38.6 24.7 694 236 B H H X S+ 0 0 73 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.894 112.3 47.6 -60.1 -40.4 39.2 -42.4 24.9 695 237 B M H < S+ 0 0 1 -4,-2.6 12,-0.5 2,-0.2 -1,-0.2 0.793 112.4 49.0 -70.3 -32.4 40.7 -42.6 21.4 696 238 B L H < S+ 0 0 41 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.818 120.8 36.3 -74.5 -30.7 43.2 -40.0 22.2 697 239 B N H < S+ 0 0 92 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.620 97.3 101.2 -93.5 -15.1 44.3 -41.7 25.4 698 240 B G < - 0 0 17 -4,-1.8 9,-0.4 -5,-0.2 2,-0.4 -0.357 46.7-166.3 -81.2 153.6 44.0 -45.4 24.4 699 241 B K - 0 0 133 7,-0.2 6,-0.1 -139,-0.1 -3,-0.0 -0.994 31.6-109.5-133.4 136.2 46.7 -47.9 23.4 700 242 B D > - 0 0 2 5,-2.9 4,-2.6 -2,-0.4 5,-0.1 -0.499 21.8-145.4 -61.6 121.8 46.2 -51.2 21.8 701 243 B P T 4 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -145,-0.1 0.900 96.1 49.1 -55.6 -39.0 47.0 -53.8 24.4 702 244 B E T 4 S+ 0 0 115 1,-0.2 -146,-0.0 -147,-0.1 -2,-0.0 0.964 129.4 16.7 -70.2 -52.2 48.5 -56.2 21.7 703 245 B T T 4 S- 0 0 61 2,-0.2 -1,-0.2 -147,-0.0 -147,-0.0 0.698 91.3-130.9 -92.9 -24.2 50.8 -53.7 19.9 704 246 B G < + 0 0 45 -4,-2.6 -2,-0.0 1,-0.3 0, 0.0 0.491 64.4 131.7 79.6 7.0 51.0 -50.9 22.4 705 247 B E - 0 0 61 -5,-0.1 -5,-2.9 -6,-0.1 -1,-0.3 -0.652 52.6-133.5 -95.6 148.4 50.2 -48.4 19.7 706 248 B P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.452 34.8 -95.5 -80.3 162.3 47.7 -45.6 19.7 707 249 B L - 0 0 7 -12,-0.5 2,-0.1 -9,-0.4 -9,-0.0 -0.598 44.8-122.6 -64.4 135.0 45.2 -44.9 16.8 708 250 B D > - 0 0 83 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.438 25.8-102.6 -77.0 169.3 46.7 -42.2 14.6 709 251 B D H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.818 119.2 55.4 -64.4 -38.5 44.7 -39.0 13.9 710 252 B E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 110.2 45.3 -60.6 -46.3 43.5 -40.1 10.5 711 253 B N H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.900 109.1 56.2 -61.4 -41.7 42.0 -43.3 11.8 712 254 B I H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.920 106.4 51.3 -56.8 -44.6 40.4 -41.4 14.7 713 255 B R H X S+ 0 0 29 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.920 108.1 51.7 -58.1 -45.2 38.7 -39.2 12.2 714 256 B Y H X S+ 0 0 41 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.903 107.6 52.3 -60.7 -39.7 37.4 -42.3 10.3 715 257 B Q H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.913 109.7 49.5 -59.7 -42.1 36.0 -43.8 13.5 716 258 B I H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.966 112.2 46.3 -63.1 -50.1 34.1 -40.5 14.3 717 259 B I H X S+ 0 0 0 -4,-2.5 4,-3.5 1,-0.2 -1,-0.2 0.891 113.3 51.9 -51.1 -44.3 32.7 -40.4 10.8 718 260 B T H X>S+ 0 0 7 -4,-2.3 4,-3.5 2,-0.2 5,-0.6 0.926 105.8 52.3 -64.6 -41.7 31.8 -44.1 11.1 719 261 B F H X5S+ 0 0 21 -4,-3.1 4,-1.2 1,-0.2 5,-0.3 0.914 115.9 42.0 -62.2 -44.5 30.0 -43.7 14.4 720 262 B L H X5S+ 0 0 1 -4,-2.2 4,-1.7 -5,-0.2 5,-0.3 0.932 119.8 42.5 -66.7 -46.1 27.9 -40.9 12.9 721 263 B A H X5S+ 0 0 5 -4,-3.5 4,-0.6 -5,-0.2 -2,-0.2 0.957 126.2 30.3 -71.2 -45.1 27.4 -42.6 9.6 722 264 B A H <5S+ 0 0 34 -4,-3.5 4,-0.3 -5,-0.2 -1,-0.2 0.598 125.2 47.3 -83.0 -21.2 26.6 -46.3 10.8 723 265 B G H X S+ 0 0 25 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.905 116.3 46.4 -59.8 -35.3 19.8 -47.5 12.2 727 269 B T H X S+ 0 0 13 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.888 111.7 49.4 -76.7 -41.1 19.1 -46.0 15.7 728 270 B S H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.883 111.9 50.7 -61.5 -42.0 16.7 -43.4 14.4 729 271 B G H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.936 106.5 53.6 -62.8 -48.9 15.0 -46.1 12.4 730 272 B L H X S+ 0 0 5 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.944 110.6 46.6 -47.0 -49.4 14.6 -48.3 15.5 731 273 B L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.874 113.7 48.9 -69.0 -34.2 12.9 -45.5 17.5 732 274 B S H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.930 113.4 45.1 -70.9 -46.9 10.6 -44.8 14.5 733 275 B F H X S+ 0 0 1 -4,-3.3 4,-2.7 2,-0.2 5,-0.3 0.923 112.6 53.0 -59.9 -42.9 9.6 -48.4 14.0 734 276 B A H X S+ 0 0 0 -4,-3.3 4,-2.0 -5,-0.3 -2,-0.2 0.946 111.4 44.5 -58.4 -46.5 9.1 -48.8 17.8 735 277 B L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.899 112.0 55.0 -68.6 -34.6 6.8 -45.7 18.0 736 278 B Y H X S+ 0 0 31 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.946 109.2 45.1 -59.5 -48.9 5.0 -47.0 14.9 737 279 B F H X S+ 0 0 19 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.858 111.2 55.0 -70.8 -26.5 4.3 -50.4 16.5 738 280 B L H >< S+ 0 0 0 -4,-2.0 3,-1.2 -5,-0.3 7,-0.5 0.967 108.4 46.2 -67.8 -48.7 3.2 -48.8 19.7 739 281 B V H 3< S+ 0 0 17 -4,-2.5 144,-0.2 1,-0.3 -2,-0.2 0.842 112.8 51.3 -64.2 -30.0 0.6 -46.6 18.1 740 282 B K H 3< S+ 0 0 57 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.594 115.0 44.1 -78.3 -14.8 -0.7 -49.5 16.0 741 283 B N XX + 0 0 53 -3,-1.2 4,-2.1 -4,-0.8 3,-1.2 -0.672 65.7 178.5-131.2 77.4 -1.0 -51.6 19.2 742 284 B P H 3> S+ 0 0 92 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.717 81.2 58.6 -55.6 -26.4 -2.6 -49.5 22.0 743 285 B H H 3> S+ 0 0 165 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.886 110.2 43.3 -68.7 -39.9 -2.6 -52.4 24.5 744 286 B V H <> S+ 0 0 15 -3,-1.2 4,-2.6 2,-0.2 5,-0.2 0.925 112.9 52.5 -69.2 -41.1 1.2 -52.6 24.1 745 287 B L H X S+ 0 0 26 -4,-2.1 4,-2.8 -7,-0.5 5,-0.3 0.939 109.7 49.9 -60.1 -48.6 1.5 -48.8 24.2 746 288 B Q H X S+ 0 0 107 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.892 110.8 47.5 -56.1 -43.3 -0.5 -48.8 27.5 747 289 B K H X S+ 0 0 92 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.916 115.1 46.9 -70.1 -40.5 1.6 -51.5 29.2 748 290 B A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.881 112.1 49.7 -63.1 -41.1 4.8 -49.7 28.1 749 291 B A H X S+ 0 0 18 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.832 108.4 54.4 -68.3 -34.0 3.5 -46.3 29.3 750 292 B E H X S+ 0 0 103 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.924 108.8 47.0 -65.8 -42.3 2.6 -47.9 32.6 751 293 B E H X S+ 0 0 8 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.925 111.9 51.4 -63.7 -44.4 6.1 -49.2 33.1 752 294 B A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.932 111.7 46.2 -53.9 -47.7 7.6 -45.7 32.2 753 295 B A H < S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.876 116.0 47.2 -65.0 -37.8 5.3 -43.9 34.6 754 296 B R H < S+ 0 0 160 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.899 122.6 32.3 -63.2 -48.2 6.2 -46.6 37.4 755 297 B V H < S+ 0 0 23 -4,-2.7 2,-1.7 1,-0.2 3,-0.2 0.837 106.3 65.2 -89.4 -38.3 10.0 -46.5 36.8 756 298 B L < + 0 0 2 -4,-2.8 -1,-0.2 -5,-0.3 -4,-0.0 -0.481 56.0 150.6 -93.5 71.5 10.8 -43.0 35.7 757 299 B V + 0 0 101 -2,-1.7 -1,-0.2 -3,-0.2 -2,-0.1 0.604 49.6 76.4 -79.8 -10.1 9.9 -41.2 39.0 758 300 B D S S- 0 0 78 -3,-0.2 156,-0.1 2,-0.1 4,-0.0 -0.715 90.8-110.9-104.0 152.7 12.4 -38.3 38.6 759 301 B P S S+ 0 0 62 0, 0.0 155,-1.1 0, 0.0 -1,-0.1 0.784 111.8 27.9 -47.0 -35.5 12.4 -35.2 36.4 760 302 B V S S- 0 0 48 153,-0.2 2,-0.1 -178,-0.0 -2,-0.1 -0.990 93.5-112.3-128.1 149.8 15.3 -36.9 34.6 761 303 B P - 0 0 7 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.475 26.7-141.9 -71.3 138.6 16.0 -40.6 34.2 762 304 B S > - 0 0 47 -2,-0.1 4,-2.3 1,-0.1 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