==== 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 4DTY . COMPND 2 MOLECULE: CYTOCHROME P450 BM3 VARIANT 8C8; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR E.M.BRUSTAD,V.S.LELYVELD,C.D.SNOW,N.CROOK,F.M.MARTINEZ,T.J.S . 906 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 622 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 7.4 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 . 41 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 367 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 0 2 0 4 0 2 0 0 0 0 0 0 0 2 0 2 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 5 3 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 3 B K 0 0 65 0, 0.0 2,-0.2 0, 0.0 341,-0.0 0.000 360.0 360.0 360.0 151.7 16.7 32.3 25.9 2 4 B E - 0 0 166 341,-0.1 341,-0.0 1,-0.0 340,-0.0 -0.561 360.0-113.7 -76.9 148.3 16.4 30.4 29.1 3 5 B M - 0 0 33 -2,-0.2 35,-0.1 1,-0.1 36,-0.1 -0.725 15.2-124.0-104.0 133.0 15.7 26.7 28.7 4 6 B P - 0 0 45 0, 0.0 35,-2.6 0, 0.0 -1,-0.1 -0.254 30.0-172.2 -61.8 155.0 12.6 24.7 29.6 5 7 B Q - 0 0 69 33,-0.2 35,-0.1 35,-0.0 3,-0.1 -0.986 18.4-123.7-149.4 135.1 13.1 21.7 32.0 6 8 B P - 0 0 16 0, 0.0 11,-0.0 0, 0.0 33,-0.0 -0.125 53.1 -57.3 -72.1 178.6 10.7 19.0 33.1 7 9 B K - 0 0 146 1,-0.1 2,-0.2 7,-0.1 10,-0.2 -0.112 55.5-141.2 -63.2 152.4 9.9 18.1 36.7 8 10 B T - 0 0 88 -3,-0.1 6,-0.2 8,-0.1 2,-0.1 -0.645 12.5-145.5-118.9 162.9 12.6 17.2 39.1 9 11 B F > - 0 0 85 4,-2.2 3,-2.1 1,-0.5 4,-0.2 -0.565 51.5 -97.5-126.5 60.2 13.1 14.7 42.0 10 12 B G G > S- 0 0 63 1,-0.3 3,-2.3 2,-0.2 -1,-0.5 -0.258 101.7 -3.8 59.9-138.3 15.3 16.5 44.5 11 13 B E G 3 S+ 0 0 187 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.618 130.0 67.2 -63.9 -9.5 19.0 15.5 44.2 12 14 B L G X S- 0 0 94 -3,-2.1 3,-2.1 1,-0.2 -1,-0.3 0.612 85.0-169.0 -85.5 -6.7 18.1 13.0 41.5 13 15 B K T < - 0 0 77 -3,-2.3 -4,-2.2 1,-0.3 -1,-0.2 -0.410 64.3 -25.0 58.7-131.4 17.1 15.9 39.2 14 16 B N T > S+ 0 0 0 27,-2.2 3,-2.5 -6,-0.2 4,-0.4 0.438 108.7 106.5 -88.8 -4.9 15.3 14.6 36.1 15 17 B L G X S+ 0 0 60 -3,-2.1 3,-2.2 26,-0.4 4,-0.2 0.860 70.8 60.2 -51.2 -42.7 16.8 11.1 36.2 16 18 B P G > S+ 0 0 33 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.659 85.8 76.7 -61.6 -16.3 13.7 9.3 37.5 17 19 B L G < S+ 0 0 25 -3,-2.5 -2,-0.2 1,-0.3 9,-0.1 0.744 97.0 49.4 -58.5 -24.0 11.7 10.4 34.4 18 20 B L G < S+ 0 0 35 -3,-2.2 2,-2.0 -4,-0.4 -1,-0.3 0.415 79.4 99.4 -97.2 4.1 13.6 7.7 32.6 19 21 B N < + 0 0 94 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.1 -0.585 67.0 100.3 -87.9 71.4 12.9 5.0 35.2 20 22 B T S S- 0 0 45 -2,-2.0 -3,-0.0 1,-0.0 6,-0.0 -0.960 82.2-122.6-151.2 155.2 10.1 3.7 32.9 21 23 B D S S+ 0 0 118 -2,-0.3 412,-0.5 1,-0.2 -1,-0.0 0.680 113.2 45.5 -77.1 -15.1 9.7 0.8 30.5 22 24 B K > + 0 0 73 1,-0.1 4,-1.8 410,-0.1 -1,-0.2 -0.543 66.4 154.3-128.3 65.5 8.7 3.5 27.8 23 25 B P H > S+ 0 0 36 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.889 72.4 49.7 -69.5 -37.8 11.3 6.3 28.1 24 26 B V H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.940 110.3 50.4 -68.6 -34.3 11.2 7.7 24.6 25 27 B Q H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 110.9 51.7 -66.2 -36.9 7.4 7.9 24.7 26 28 B A H X S+ 0 0 30 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.918 110.0 47.9 -59.0 -46.3 7.7 9.7 28.0 27 29 B L H X S+ 0 0 8 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.820 106.7 56.3 -67.1 -34.0 10.2 12.2 26.4 28 30 B M H X S+ 0 0 14 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.921 107.6 49.6 -61.4 -40.2 7.8 12.7 23.5 29 31 B K H X S+ 0 0 160 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.897 111.2 49.7 -62.6 -43.1 5.0 13.7 26.0 30 32 B I H X S+ 0 0 24 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.945 109.2 51.3 -61.3 -48.6 7.5 16.1 27.6 31 33 B A H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.861 106.3 54.7 -52.7 -45.3 8.4 17.6 24.3 32 34 B D H < S+ 0 0 115 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.906 114.8 41.3 -57.6 -35.7 4.8 18.1 23.5 33 35 B E H < S+ 0 0 164 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.825 126.1 30.6 -75.8 -41.3 4.5 20.1 26.7 34 36 B L H < S- 0 0 51 -4,-2.5 3,-0.3 1,-0.3 2,-0.2 0.658 98.6-136.8-102.9 -18.3 7.8 22.0 26.6 35 37 B G < - 0 0 33 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.618 54.7 -12.1 100.5-156.4 8.4 22.6 22.9 36 38 B E S S+ 0 0 55 -2,-0.2 15,-2.3 1,-0.1 16,-0.7 0.607 123.5 21.2 -66.1 -19.1 11.5 22.4 20.6 37 39 B I E +A 50 0A 3 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.974 59.2 169.2-151.0 136.6 14.1 22.2 23.3 38 40 B F E -A 49 0A 0 11,-1.5 11,-2.9 -2,-0.3 2,-0.4 -0.987 30.0-120.6-145.1 148.1 14.4 21.2 27.0 39 41 B K E -A 48 0A 59 -35,-2.6 2,-0.5 -2,-0.3 9,-0.2 -0.674 20.8-163.3 -79.0 143.2 17.2 20.5 29.4 40 42 B F E -A 47 0A 0 7,-2.9 7,-2.5 -2,-0.4 2,-0.3 -0.957 8.1-171.6-131.1 120.5 17.5 17.2 31.1 41 43 B E E +A 46 0A 49 -2,-0.5 -27,-2.2 5,-0.2 -26,-0.4 -0.829 10.0 167.7-111.5 145.2 19.7 16.9 34.2 42 44 B A E > -A 45 0A 4 3,-2.5 3,-2.0 -2,-0.3 -29,-0.1 -0.907 57.6 -64.5-142.8 159.1 20.8 13.7 36.1 43 45 B P T 3 S- 0 0 67 0, 0.0 -31,-0.1 0, 0.0 3,-0.0 -0.379 124.3 -2.5 -43.5 116.9 23.5 13.3 38.8 44 46 B G T 3 S+ 0 0 91 1,-0.1 2,-0.3 -2,-0.0 -3,-0.0 0.437 124.1 70.7 75.7 2.6 26.7 14.1 37.0 45 47 B R E < -A 42 0A 51 -3,-2.0 -3,-2.5 2,-0.0 2,-0.3 -0.993 49.8-170.4-150.3 159.8 25.3 14.7 33.5 46 48 B V E +A 41 0A 45 -2,-0.3 304,-0.5 -5,-0.2 2,-0.3 -0.996 9.9 171.3-145.1 138.8 23.2 17.1 31.4 47 49 B T E -A 40 0A 0 -7,-2.5 -7,-2.9 -2,-0.3 2,-0.4 -0.916 25.0-132.5-139.3 172.6 21.7 16.9 27.9 48 50 B R E -A 39 0A 29 302,-0.5 304,-3.0 -2,-0.3 2,-0.5 -0.993 17.1-142.8-128.6 121.2 19.3 18.9 25.8 49 51 B Y E -Ab 38 352A 13 -11,-2.9 -11,-1.5 -2,-0.4 2,-0.4 -0.798 16.3-159.4 -88.1 125.1 16.5 17.2 23.9 50 52 B L E +Ab 37 353A 0 302,-3.2 304,-2.7 -2,-0.5 308,-0.3 -0.852 23.1 162.5-111.9 140.1 15.7 18.7 20.5 51 53 B S + 0 0 10 -15,-2.3 2,-0.3 -2,-0.4 309,-0.3 0.489 47.6 85.6-128.5 -21.1 12.4 18.2 18.6 52 54 B S > - 0 0 12 -16,-0.7 4,-2.9 1,-0.1 5,-0.2 -0.742 69.0-134.1 -94.1 147.3 12.1 20.9 15.8 53 55 B Q H > S+ 0 0 30 -2,-0.3 4,-2.6 305,-0.2 5,-0.2 0.886 106.4 62.1 -57.8 -37.7 13.5 20.8 12.4 54 56 B R H > S+ 0 0 96 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.929 114.3 31.2 -58.5 -44.5 14.8 24.3 12.9 55 57 B L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.870 116.6 56.0 -81.6 -38.7 17.1 23.2 15.7 56 58 B I H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.888 100.3 60.2 -65.2 -33.0 17.9 19.7 14.5 57 59 B K H < S+ 0 0 94 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.894 109.3 44.8 -58.2 -35.3 19.1 21.0 11.1 58 60 B E H >< S+ 0 0 50 -4,-0.7 3,-2.0 -3,-0.3 -2,-0.2 0.924 109.0 53.9 -73.5 -45.0 21.8 22.9 13.1 59 61 B A H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.779 104.0 59.9 -55.7 -25.1 22.6 19.9 15.3 60 62 B C T 3< S+ 0 0 6 -4,-1.7 2,-0.8 -5,-0.2 -1,-0.3 0.415 73.8 110.4 -92.6 5.6 23.2 18.0 12.0 61 63 B D X> - 0 0 63 -3,-2.0 4,-2.0 1,-0.2 3,-1.6 -0.670 57.4-158.5 -78.7 109.9 25.9 20.4 10.9 62 64 B E T 34 S+ 0 0 84 -2,-0.8 -1,-0.2 1,-0.3 5,-0.0 0.627 87.4 66.4 -72.8 -12.6 29.0 18.1 11.1 63 65 B S T 34 S+ 0 0 90 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.707 115.7 29.3 -69.0 -26.3 31.3 21.1 11.3 64 66 B R T <4 S+ 0 0 49 -3,-1.6 270,-3.0 1,-0.2 271,-0.6 0.713 124.8 32.2-101.2 -31.6 29.7 21.9 14.7 65 67 B F E < -C 333 0A 4 -4,-2.0 2,-0.3 268,-0.2 -1,-0.2 -0.985 57.2-169.0-140.6 144.2 28.6 18.6 16.2 66 68 B D E -C 332 0A 17 266,-1.9 266,-2.4 -2,-0.4 2,-0.1 -0.828 41.8 -76.4-125.9 161.6 29.7 15.0 16.2 67 69 B K E -C 331 0A 40 -2,-0.3 22,-0.4 264,-0.2 2,-0.4 -0.424 44.1-160.3 -60.7 132.3 28.1 11.7 17.3 68 70 B N E -C 330 0A 17 262,-2.4 2,-0.7 283,-0.2 262,-0.6 -0.882 22.2-118.1-107.4 151.6 28.2 11.1 21.0 69 71 B L - 0 0 3 -2,-0.4 262,-0.1 260,-0.1 17,-0.1 -0.797 35.5-152.0 -83.9 111.4 27.7 7.7 22.7 70 72 B S > - 0 0 32 -2,-0.7 4,-1.9 260,-0.1 282,-0.0 -0.055 33.2 -80.9 -83.1-175.2 24.6 7.9 24.8 71 73 B Q H > S+ 0 0 50 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.912 122.6 39.3 -69.2 -48.5 24.0 5.9 27.8 72 74 B A H >> S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 3,-0.9 0.948 113.0 57.2 -68.7 -40.1 22.8 2.5 26.6 73 75 B P H 3> S+ 0 0 18 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.862 99.0 60.0 -55.2 -37.6 25.3 2.4 23.7 74 76 B K H 3< S+ 0 0 96 -4,-1.9 -2,-0.2 2,-0.2 4,-0.1 0.849 111.4 41.0 -55.2 -34.5 28.2 2.9 26.1 75 77 B F H X< S+ 0 0 65 -4,-1.0 3,-1.9 -3,-0.9 4,-0.3 0.851 108.0 59.0 -81.0 -36.9 27.1 -0.4 27.8 76 78 B V H >X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.3 3,-2.1 0.845 93.1 70.9 -57.0 -29.4 26.4 -2.0 24.4 77 79 B R H 3X S+ 0 0 70 -4,-1.8 4,-1.5 1,-0.3 -1,-0.3 0.757 80.4 75.1 -60.1 -21.8 30.2 -1.3 23.8 78 80 B D H <4 S+ 0 0 80 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.808 116.2 16.0 -62.2 -24.7 31.0 -4.0 26.3 79 81 B F H <4 S+ 0 0 0 -3,-2.1 -2,-0.2 -4,-0.3 -1,-0.2 0.582 129.9 48.7-120.6 -18.5 30.1 -6.6 23.7 80 82 B A H >< S- 0 0 2 -4,-2.7 3,-2.0 1,-0.2 6,-0.2 0.496 84.2-178.7 -98.7 -3.3 30.1 -4.6 20.4 81 83 B G T 3< - 0 0 8 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.1 -0.040 62.5 -17.8 50.9-134.6 33.5 -3.1 21.2 82 84 B D T 3 S+ 0 0 27 5,-0.1 -1,-0.3 3,-0.1 5,-0.1 -0.134 95.0 138.3-100.5 37.2 34.8 -0.6 18.5 83 85 B G S <> S- 0 0 0 -3,-2.0 4,-0.5 171,-0.2 3,-0.4 -0.192 75.4 -87.0 -60.8 172.7 32.4 -1.9 15.8 84 86 B L T 4 S+ 0 0 14 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.816 123.3 49.5 -61.9 -37.1 30.9 0.9 13.7 85 87 B F T 4 S+ 0 0 70 1,-0.2 -1,-0.2 -5,-0.1 -8,-0.1 0.844 117.3 37.3 -75.5 -29.4 27.9 1.7 16.0 86 88 B T T 4 S+ 0 0 0 -3,-0.4 2,-0.3 -6,-0.2 -1,-0.2 0.142 96.3 99.2-114.6 16.3 29.7 2.0 19.3 87 89 B S S < S- 0 0 0 -4,-0.5 2,-0.3 -3,-0.4 -5,-0.1 -0.723 72.0-118.8 -96.4 153.2 32.9 3.7 18.1 88 90 B W > - 0 0 65 -2,-0.3 3,-2.0 1,-0.1 6,-0.3 -0.639 27.0-117.2 -82.0 148.9 33.8 7.4 18.3 89 91 B T T 3 S+ 0 0 22 -22,-0.4 6,-0.3 1,-0.3 -1,-0.1 0.806 112.9 54.6 -56.5 -36.4 34.3 9.1 15.0 90 92 B H T 3 S+ 0 0 131 4,-0.1 2,-0.3 5,-0.1 -1,-0.3 0.495 82.4 104.3 -81.2 -4.9 37.9 10.0 16.0 91 93 B E S X> S- 0 0 44 -3,-2.0 3,-1.4 1,-0.1 4,-1.2 -0.631 76.7-128.1 -78.8 137.6 38.9 6.3 16.7 92 94 B K H 3> S+ 0 0 121 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.837 105.0 57.2 -47.5 -44.2 41.1 4.8 14.0 93 95 B N H 3> S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.760 98.4 62.1 -65.6 -25.1 38.9 1.8 13.7 94 96 B W H <> S+ 0 0 7 -3,-1.4 4,-2.8 -6,-0.3 5,-0.2 0.987 110.0 36.4 -65.0 -57.4 35.8 3.8 12.9 95 97 B K H X S+ 0 0 67 -4,-1.2 4,-2.8 -6,-0.3 5,-0.2 0.889 116.3 54.0 -67.1 -40.4 37.0 5.3 9.8 96 98 B K H X S+ 0 0 15 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.950 114.1 41.5 -52.5 -50.3 38.9 2.2 8.7 97 99 B A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.898 112.4 54.4 -71.4 -36.9 35.9 0.1 9.0 98 100 B H H X S+ 0 0 28 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.939 110.4 46.4 -60.8 -46.4 33.6 2.7 7.4 99 101 B N H < S+ 0 0 25 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.889 116.4 45.2 -66.1 -36.8 35.8 3.0 4.4 100 102 B I H < S+ 0 0 20 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.912 119.8 38.7 -65.6 -44.7 36.0 -0.8 4.0 101 103 B L H >< S+ 0 0 0 -4,-3.0 3,-0.8 -5,-0.2 4,-0.4 0.713 93.2 82.9 -88.4 -21.0 32.4 -1.5 4.6 102 104 B L G >< S+ 0 0 90 -4,-2.1 3,-2.1 1,-0.3 4,-0.3 0.934 93.0 46.9 -53.6 -46.0 30.6 1.3 2.7 103 105 B P G > S+ 0 0 89 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.802 107.3 59.6 -70.7 -21.4 30.8 -0.2 -0.8 104 106 B S G < S+ 0 0 8 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.432 109.3 43.8 -77.9 -3.2 29.5 -3.5 0.7 105 107 B F G < S+ 0 0 11 -3,-2.1 297,-0.4 -4,-0.4 298,-0.3 0.237 88.0 119.4-123.1 9.0 26.4 -1.7 1.9 106 108 B S S <> S- 0 0 38 -3,-0.7 4,-1.0 -4,-0.3 3,-0.1 -0.213 80.2-105.8 -74.9 162.7 25.6 0.3 -1.2 107 109 B Q T >4 S+ 0 0 67 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.915 123.7 53.9 -53.0 -38.8 22.5 0.0 -3.2 108 110 B Q T >4 S+ 0 0 123 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.880 101.3 59.6 -64.3 -33.7 24.5 -1.8 -5.9 109 111 B A T >> S+ 0 0 21 1,-0.3 3,-1.0 -6,-0.3 4,-0.8 0.760 88.1 74.6 -72.0 -22.7 25.7 -4.3 -3.3 110 112 B M H S+ 0 0 60 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.906 110.8 45.9 -60.8 -39.5 19.2 -14.2 -3.2 116 118 B M H > S+ 0 0 61 -4,-0.3 4,-1.7 -3,-0.3 -1,-0.2 0.893 111.3 53.4 -73.0 -31.9 19.9 -14.9 0.5 117 119 B M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 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0.879 110.8 50.7 -73.5 -35.6 19.9 -10.8 27.0 178 180 B A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.864 108.7 51.3 -63.8 -44.2 23.0 -8.6 26.7 179 181 B L H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.926 110.5 50.5 -59.2 -41.8 21.0 -5.8 25.0 180 182 B D H X S+ 0 0 59 -4,-2.2 4,-3.2 -5,-0.2 -2,-0.2 0.906 107.7 51.7 -63.2 -41.0 18.6 -6.1 27.9 181 183 B E H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.911 107.4 53.5 -56.8 -47.4 21.3 -5.9 30.5 182 184 B A H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.944 115.1 40.8 -51.5 -53.0 22.6 -2.7 28.8 183 185 B M H >< S+ 0 0 32 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.887 114.8 50.6 -60.2 -48.3 19.1 -1.2 29.0 184 186 B N H >< S+ 0 0 79 -4,-3.2 3,-1.3 1,-0.2 -1,-0.2 0.835 99.0 66.4 -66.8 -30.8 18.4 -2.4 32.6 185 187 B K H >< S+ 0 0 40 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.817 93.4 61.8 -57.1 -32.0 21.7 -1.0 33.9 186 188 B L T << S+ 0 0 67 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.759 102.2 50.6 -65.3 -27.2 20.4 2.5 33.2 187 189 B R T < S+ 0 0 88 -3,-1.3 2,-0.6 -4,-0.4 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50.7 -64.7 -38.2 26.0 -10.0 41.0 198 200 B E H > S+ 0 0 106 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.895 107.6 50.8 -61.0 -49.6 24.0 -12.6 39.0 199 201 B N H > S+ 0 0 58 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.872 111.2 50.9 -57.3 -37.7 23.1 -10.1 36.2 200 202 B K H X S+ 0 0 77 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.895 111.4 46.2 -68.4 -41.5 26.9 -9.3 36.0 201 203 B R H X S+ 0 0 110 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.906 113.2 48.8 -65.5 -44.3 27.9 -13.0 35.7 202 204 B Q H X S+ 0 0 33 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.901 108.7 55.6 -60.3 -42.3 25.1 -13.7 33.1 203 205 B F H X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.936 110.0 44.6 -60.3 -45.9 26.4 -10.6 31.1 204 206 B Q H X S+ 0 0 122 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.890 111.9 52.9 -64.0 -40.7 29.9 -12.0 31.0 205 207 B E H X S+ 0 0 83 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.910 110.7 47.2 -54.7 -48.3 28.6 -15.5 30.1 206 208 B D H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.885 109.3 52.7 -66.1 -37.3 26.6 -13.9 27.1 207 209 B I H X S+ 0 0 20 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 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218 A K H X S+ 0 0 65 -4,-1.7 4,-3.1 -5,-0.3 -2,-0.2 0.943 109.5 48.6 -68.6 -44.4 -13.8 -29.0 15.4 671 219 A I H X S+ 0 0 13 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.880 112.3 49.5 -64.9 -40.8 -12.0 -30.2 12.2 672 220 A I H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.955 114.0 43.9 -59.5 -52.1 -14.7 -32.8 11.6 673 221 A A H X S+ 0 0 59 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.907 113.2 52.5 -57.2 -44.0 -17.5 -30.3 12.1 674 222 A D H X S+ 0 0 65 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.877 112.0 46.8 -57.9 -46.6 -15.6 -27.6 9.9 675 223 A R H X S+ 0 0 10 -4,-2.6 4,-1.9 -5,-0.2 5,-0.4 0.892 110.2 51.0 -68.2 -39.3 -15.2 -30.2 7.1 676 224 A K H < S+ 0 0 113 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.901 111.5 50.2 -64.1 -37.5 -18.9 -31.3 7.2 677 225 A A H < S+ 0 0 90 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.891 114.9 40.2 -65.2 -44.7 -19.9 -27.6 7.0 678 226 A S H < S- 0 0 67 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.795 91.9-140.7 -76.1 -29.9 -17.7 -26.7 3.9 679 227 A G < + 0 0 45 -4,-1.9 -3,-0.1 1,-0.2 -4,-0.1 0.558 40.2 167.2 73.4 9.8 -18.3 -29.9 2.0 680 228 A E - 0 0 95 -5,-0.4 2,-0.5 1,-0.1 -1,-0.2 -0.299 25.3-151.3 -55.8 134.1 -14.6 -29.8 1.0 681 229 A Q + 0 0 124 -3,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.962 25.7 165.8-106.7 126.2 -13.4 -33.0 -0.6 682 230 A S - 0 0 31 -2,-0.5 6,-0.0 2,-0.1 5,-0.0 -0.749 49.9 -99.5-133.2-176.6 -9.7 -33.7 -0.0 683 231 A D S S+ 0 0 115 -2,-0.2 2,-0.1 4,-0.1 -113,-0.1 0.132 83.7 109.5 -91.7 20.8 -7.2 -36.6 -0.3 684 232 A D S > S- 0 0 2 1,-0.1 4,-1.5 -74,-0.0 3,-0.2 -0.428 81.7-111.7 -94.9 168.6 -7.2 -37.4 3.4 685 233 A L H > S+ 0 0 3 -77,-2.3 4,-2.4 1,-0.2 -75,-0.2 0.821 115.3 64.6 -65.5 -32.0 -8.7 -40.3 5.5 686 234 A L H > S+ 0 0 0 -77,-1.6 4,-2.5 -78,-0.2 -1,-0.2 0.927 100.8 48.6 -59.8 -40.7 -11.2 -37.9 6.9 687 235 A T H > S+ 0 0 8 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.925 111.2 50.2 -63.0 -43.7 -12.8 -37.4 3.5 688 236 A H H X S+ 0 0 80 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.882 112.4 49.2 -61.4 -41.1 -12.9 -41.3 3.0 689 237 A M H < S+ 0 0 1 -4,-2.4 12,-0.5 1,-0.2 -2,-0.2 0.882 109.9 48.6 -69.0 -38.0 -14.5 -41.6 6.5 690 238 A L H < S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 121.1 37.8 -66.0 -29.3 -17.2 -39.0 5.8 691 239 A N H < S+ 0 0 96 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.561 96.3 100.6-100.3 -7.0 -18.0 -40.6 2.5 692 240 A G < - 0 0 17 -4,-1.3 2,-0.4 -5,-0.2 9,-0.3 -0.366 46.5-168.3 -93.5 152.4 -17.7 -44.3 3.3 693 241 A K - 0 0 154 7,-0.1 6,-0.1 -139,-0.1 -2,-0.0 -0.999 29.6-116.5-132.1 134.6 -20.4 -46.8 4.1 694 242 A D > - 0 0 1 5,-3.3 4,-2.1 -2,-0.4 5,-0.1 -0.566 19.9-146.6 -66.2 125.8 -19.8 -50.3 5.5 695 243 A P T 4 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -145,-0.1 0.805 94.1 51.4 -66.6 -22.9 -21.0 -52.8 2.8 696 244 A E T 4 S+ 0 0 123 1,-0.1 -146,-0.0 3,-0.1 -2,-0.0 0.995 126.2 17.6 -77.3 -61.1 -22.1 -55.2 5.5 697 245 A T T 4 S- 0 0 63 2,-0.2 -1,-0.1 1,-0.0 -147,-0.0 0.636 94.2-131.6 -80.3 -22.2 -24.4 -53.1 7.8 698 246 A G < + 0 0 39 -4,-2.1 -1,-0.0 1,-0.3 -2,-0.0 0.438 65.5 126.2 77.5 5.8 -24.8 -50.3 5.2 699 247 A E - 0 0 67 -5,-0.1 -5,-3.3 -6,-0.1 -1,-0.3 -0.633 54.2-136.1 -95.4 147.0 -23.9 -47.7 7.9 700 248 A P - 0 0 67 0, 0.0 2,-0.2 0, 0.0 -7,-0.1 -0.430 38.4 -90.4 -83.9 168.7 -21.3 -45.0 7.9 701 249 A L - 0 0 7 -12,-0.5 2,-0.1 -9,-0.3 -9,-0.0 -0.622 45.2-122.0 -75.0 142.5 -19.0 -44.3 11.0 702 250 A D > - 0 0 88 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.457 26.5-102.8 -81.0 164.8 -20.6 -41.7 13.3 703 251 A D H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.822 119.4 54.6 -64.1 -36.1 -18.7 -38.5 14.1 704 252 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 110.6 45.6 -62.0 -46.7 -17.6 -39.7 17.5 705 253 A N H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.896 108.5 56.8 -66.9 -34.4 -16.0 -42.8 16.1 706 254 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.893 107.1 50.7 -55.7 -47.9 -14.4 -40.8 13.2 707 255 A R H X S+ 0 0 27 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.940 109.4 50.1 -57.6 -47.7 -12.7 -38.7 16.0 708 256 A Y H X S+ 0 0 37 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.855 108.0 53.0 -60.9 -36.2 -11.5 -41.8 17.7 709 257 A Q H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.926 109.2 49.1 -67.6 -37.5 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-62.4 -43.0 24.3 -50.2 -1.4 742 290 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.893 113.1 50.0 -72.3 -32.0 21.1 -48.4 -0.3 743 291 A A H X S+ 0 0 17 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.870 107.7 54.2 -71.0 -38.4 22.5 -44.9 -1.3 744 292 A E H X S+ 0 0 96 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.899 109.9 46.6 -59.5 -40.9 23.5 -46.3 -4.7 745 293 A E H X S+ 0 0 16 -4,-1.6 4,-2.5 2,-0.2 5,-0.4 0.936 110.9 52.7 -67.3 -43.0 19.9 -47.5 -5.3 746 294 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.922 111.5 46.1 -56.6 -42.6 18.5 -44.1 -4.1 747 295 A A H < S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 115.0 47.5 -72.6 -32.2 20.7 -42.3 -6.6 748 296 A R H < S+ 0 0 165 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.846 122.7 31.1 -71.2 -38.8 19.8 -44.6 -9.4 749 297 A V H < S+ 0 0 27 -4,-2.5 2,-2.0 1,-0.2 3,-0.2 0.858 105.6 66.6 -93.6 -42.2 16.1 -44.6 -8.9 750 298 A L < + 0 0 3 -4,-2.4 -1,-0.2 -5,-0.4 -4,-0.0 -0.471 58.6 149.3 -85.7 73.1 15.2 -41.1 -7.5 751 299 A V + 0 0 102 -2,-2.0 -1,-0.2 -3,-0.2 -2,-0.1 0.530 49.9 71.2 -91.9 -5.1 16.2 -39.3 -10.8 752 300 A D S S- 0 0 79 -3,-0.2 4,-0.0 2,-0.1 -3,-0.0 -0.677 93.7-106.1-108.8 163.9 13.7 -36.4 -10.4 753 301 A P S S+ 0 0 72 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.807 109.8 25.5 -69.0 -29.3 13.7 -33.4 -7.9 754 302 A V S S- 0 0 66 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.955 97.3-107.0-124.0 147.4 10.9 -34.9 -5.8 755 303 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.507 28.3-138.4 -76.6 141.6 10.2 -38.7 -5.7 756 304 A S > - 0 0 47 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.549 25.5-109.6 -86.6 164.8 7.2 -40.1 -7.5 757 305 A Y H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.932 120.6 50.9 -57.6 -44.2 4.9 -42.8 -6.1 758 306 A K H > S+ 0 0 127 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.854 107.3 53.0 -66.4 -34.0 6.2 -45.3 -8.7 759 307 A Q H >4 S+ 0 0 25 2,-0.2 3,-0.9 1,-0.2 4,-0.4 0.898 104.9 54.6 -67.1 -38.3 9.9 -44.5 -7.9 760 308 A V H >< S+ 0 0 5 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.939 105.1 54.9 -63.4 -35.0 9.3 -45.2 -4.2 761 309 A K H 3< S+ 0 0 75 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.752 103.0 56.8 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