==== 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 OXIDOREDUCTASE 05-MAY-08 3D1C . COMPND 2 MOLECULE: FLAVIN-CONTAINING PUTATIVE MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 358 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 33 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 2 1 1 0 0 1 0 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 4 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 X 0 0 205 0, 0.0 128,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.7 40.9 -0.5 14.6 2 2 A Q - 0 0 116 1,-0.1 2,-1.3 129,-0.0 128,-0.6 -0.128 360.0-129.1 -51.0 140.8 39.0 -0.7 17.9 3 3 A H E -a 130 0A 82 126,-0.1 128,-0.2 128,-0.1 -1,-0.1 -0.753 36.9-160.9 -90.4 87.3 35.2 -0.1 17.9 4 4 A H E -a 131 0A 11 126,-1.8 128,-1.9 -2,-1.3 3,-0.1 -0.356 22.6-141.1 -74.4 151.0 35.1 2.5 20.6 5 5 A K E S+ 0 0 53 24,-1.0 128,-2.8 1,-0.2 2,-0.4 0.934 85.6 16.3 -70.0 -49.1 32.0 3.4 22.5 6 6 A V E -ab 133 30A 0 23,-2.2 25,-2.5 126,-0.2 2,-0.4 -0.975 54.3-172.2-132.5 139.6 32.8 7.1 22.5 7 7 A A E -ab 134 31A 0 126,-2.3 128,-2.2 -2,-0.4 2,-0.5 -1.000 12.7-160.9-124.1 128.6 35.1 9.6 20.8 8 8 A I E -ab 135 32A 0 23,-2.5 25,-2.7 -2,-0.4 2,-0.9 -0.934 11.9-143.4-107.8 126.4 35.3 13.2 22.1 9 9 A I E S+ab 136 33A 7 126,-3.1 128,-2.2 -2,-0.5 25,-0.2 -0.831 71.9 23.1 -95.9 105.3 36.7 15.7 19.7 10 10 A G - 0 0 7 23,-2.5 24,-0.2 -2,-0.9 2,-0.2 0.204 62.2-136.5 112.3 131.4 38.8 18.2 21.7 11 11 A A + 0 0 0 26,-0.1 28,-2.4 4,-0.1 29,-0.3 -0.493 65.3 114.6-114.0 54.3 40.5 18.0 25.1 12 12 A G S > S- 0 0 19 125,-0.4 4,-2.3 26,-0.2 5,-0.3 -0.168 90.1 -60.3-100.0-160.3 39.5 21.4 26.4 13 13 A A H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.925 136.6 41.4 -50.2 -51.5 37.2 22.2 29.4 14 14 A A H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.865 113.9 49.6 -70.2 -43.1 34.2 20.4 27.9 15 15 A G H > S+ 0 0 0 122,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.915 114.3 44.6 -65.3 -44.2 36.0 17.3 26.5 16 16 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.948 115.7 47.8 -65.1 -48.1 37.8 16.6 29.7 17 17 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.910 112.2 49.4 -57.5 -45.0 34.7 17.1 31.8 18 18 A X H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.881 108.5 52.7 -64.2 -41.3 32.6 14.9 29.5 19 19 A A H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.930 111.2 47.4 -59.8 -44.7 35.1 12.1 29.6 20 20 A I H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.891 113.0 48.5 -63.2 -41.3 35.1 12.2 33.5 21 21 A T H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.898 108.3 53.6 -67.6 -39.2 31.2 12.2 33.6 22 22 A L H ><>S+ 0 0 0 -4,-2.5 5,-3.1 1,-0.2 3,-0.6 0.908 106.9 53.1 -62.9 -39.0 31.0 9.3 31.1 23 23 A K H ><5S+ 0 0 76 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.913 104.8 54.3 -60.7 -44.1 33.3 7.4 33.5 24 24 A D H 3<5S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.724 106.5 52.5 -61.0 -24.8 30.9 8.1 36.4 25 25 A F T <<5S- 0 0 4 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.252 127.6-100.6 -96.1 11.5 28.1 6.6 34.3 26 26 A G T < 5S+ 0 0 53 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.634 84.4 128.3 81.7 17.7 30.1 3.5 33.7 27 27 A I < + 0 0 11 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.912 15.4 149.4-111.8 109.2 31.3 4.4 30.2 28 28 A T + 0 0 104 -2,-0.7 2,-2.5 1,-0.1 -1,-0.2 0.597 43.9 92.7-115.3 -20.2 35.0 4.0 30.0 29 29 A D + 0 0 55 -6,-0.0 -23,-2.2 2,-0.0 -24,-1.0 -0.447 63.0 133.9 -77.6 71.3 35.7 3.0 26.4 30 30 A V E -b 6 0A 13 -2,-2.5 73,-0.5 -25,-0.2 2,-0.3 -0.986 39.4-164.7-128.1 124.6 36.2 6.7 25.5 31 31 A I E -bc 7 103A 0 -25,-2.5 -23,-2.5 -2,-0.4 2,-0.4 -0.866 7.7-152.4-107.3 144.4 39.0 8.3 23.5 32 32 A I E -bc 8 104A 1 71,-2.1 73,-2.9 -2,-0.3 2,-0.5 -0.988 7.7-158.3-114.2 127.6 39.7 12.0 23.4 33 33 A L E -bc 9 105A 2 -25,-2.7 -23,-2.5 -2,-0.4 2,-0.4 -0.934 13.2-178.3-111.2 118.0 41.3 13.5 20.3 34 34 A E - 0 0 14 71,-2.8 74,-2.8 -2,-0.5 4,-0.1 -0.963 26.2-152.9-123.6 131.2 43.1 16.8 20.6 35 35 A K S S+ 0 0 88 -2,-0.4 74,-0.2 72,-0.3 -1,-0.1 0.832 91.0 7.4 -70.5 -36.0 44.9 18.9 17.9 36 36 A G S S- 0 0 10 1,-0.3 71,-2.7 71,-0.1 2,-0.2 0.244 112.5 -55.7-108.6-121.9 47.4 20.5 20.4 37 37 A T S > S- 0 0 38 69,-0.2 3,-1.6 1,-0.1 -1,-0.3 -0.726 73.7 -61.0-120.5 170.5 47.7 19.5 24.0 38 38 A V T 3 S+ 0 0 1 1,-0.3 -26,-0.2 -2,-0.2 56,-0.1 -0.284 127.4 12.9 -53.5 126.3 45.2 19.3 26.9 39 39 A G T 3> S+ 0 0 0 -28,-2.4 4,-1.9 54,-0.1 3,-0.4 0.751 78.2 162.4 75.2 26.8 43.8 22.8 27.4 40 40 A H H <> S+ 0 0 40 -3,-1.6 4,-0.7 -29,-0.3 -2,-0.1 0.863 71.1 49.5 -43.4 -50.1 45.2 24.2 24.2 41 41 A S H >4 S+ 0 0 43 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.903 109.0 51.4 -61.2 -43.8 42.9 27.3 24.1 42 42 A F H >4 S+ 0 0 23 -3,-0.4 3,-1.6 1,-0.2 -1,-0.2 0.872 104.0 57.9 -61.6 -38.0 43.7 28.2 27.7 43 43 A K H 3< S+ 0 0 94 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.700 106.3 52.2 -65.2 -20.6 47.5 28.1 27.0 44 44 A H T << S+ 0 0 99 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.175 81.0 114.0-106.4 17.5 46.9 30.7 24.2 45 45 A W S < S- 0 0 59 -3,-1.6 110,-0.1 1,-0.1 42,-0.1 -0.485 87.0 -86.7 -70.6 152.4 45.0 33.2 26.3 46 46 A P > - 0 0 1 0, 0.0 3,-1.3 0, 0.0 40,-0.3 -0.407 45.7-110.5 -56.5 147.5 46.9 36.4 26.7 47 47 A K T 3 S+ 0 0 145 111,-2.8 40,-0.2 1,-0.3 112,-0.1 0.762 115.1 46.2 -55.2 -32.5 49.2 36.0 29.8 48 48 A S T 3 S+ 0 0 14 110,-0.1 -1,-0.3 37,-0.1 2,-0.1 0.592 83.0 115.4 -91.6 -14.4 47.3 38.4 32.0 49 49 A T < - 0 0 13 -3,-1.3 37,-0.7 1,-0.0 2,-0.3 -0.344 42.4-177.2 -58.8 132.5 43.8 37.1 31.2 50 50 A R B -H 85 0B 86 35,-0.2 35,-0.2 36,-0.1 2,-0.1 -0.944 36.3 -91.5-129.3 149.6 42.0 35.6 34.3 51 51 A T - 0 0 11 33,-1.9 4,-0.1 -2,-0.3 16,-0.0 -0.435 24.9-148.3 -57.5 134.5 38.6 33.9 34.6 52 52 A I S S+ 0 0 34 31,-0.1 153,-0.4 -2,-0.1 -1,-0.2 0.717 82.6 82.2 -72.0 -25.6 35.9 36.5 35.5 53 53 A T S S- 0 0 23 31,-0.1 31,-0.4 152,-0.1 2,-0.3 -0.693 86.3-128.2 -82.3 126.6 34.2 33.7 37.4 54 54 A P - 0 0 57 0, 0.0 12,-0.5 0, 0.0 2,-0.4 -0.627 11.3-138.3 -86.1 138.5 35.7 33.2 40.8 55 55 A S + 0 0 4 27,-2.7 2,-0.3 -2,-0.3 10,-0.1 -0.783 31.8 157.0 -90.6 130.1 36.9 29.8 42.1 56 56 A F - 0 0 146 -2,-0.4 2,-1.9 26,-0.0 10,-0.2 -0.954 48.0-115.8-147.3 139.2 36.1 28.8 45.8 57 57 A T + 0 0 61 -2,-0.3 3,-0.3 1,-0.2 17,-0.1 -0.545 58.4 142.3 -85.2 80.3 36.0 25.3 47.0 58 58 A S > > + 0 0 50 -2,-1.9 3,-0.9 5,-0.3 5,-0.9 0.326 30.4 122.1 -91.7 -0.4 32.3 25.1 47.9 59 59 A N G > 5 + 0 0 25 1,-0.2 3,-0.7 -3,-0.2 -1,-0.2 0.722 64.4 56.8 -36.4 -41.9 32.2 21.5 46.6 60 60 A G G 3 5S+ 0 0 69 -3,-0.3 2,-1.0 1,-0.2 -1,-0.2 0.972 103.3 51.4 -61.2 -49.3 31.1 19.9 49.9 61 61 A F G < 5S- 0 0 210 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.1 -0.297 128.5 -68.7 -96.2 51.7 27.9 22.0 50.3 62 62 A G T < 5S+ 0 0 31 -2,-1.0 -3,-0.2 -3,-0.7 -1,-0.1 0.328 110.0 65.2 93.4 -8.3 26.1 21.6 47.0 63 63 A X < - 0 0 70 -5,-0.9 -5,-0.3 280,-0.1 -2,-0.2 -0.834 68.0-137.5-146.3 119.5 28.0 23.5 44.3 64 64 A P - 0 0 1 0, 0.0 10,-0.1 0, 0.0 -7,-0.1 -0.337 52.2 -68.3 -63.1 146.5 31.4 22.7 43.0 65 65 A D > - 0 0 0 8,-0.3 3,-2.1 1,-0.2 -10,-0.1 -0.080 54.1-122.8 -28.0 123.3 34.0 25.4 42.4 66 66 A X T 3 S+ 0 0 48 -12,-0.5 245,-0.3 1,-0.3 -1,-0.2 0.558 109.0 50.4 -58.1 -22.0 32.4 27.2 39.4 67 67 A N T 3 S+ 0 0 0 243,-0.1 -1,-0.3 -11,-0.1 2,-0.1 0.457 88.0 104.7 -98.2 -1.0 35.4 26.8 37.2 68 68 A A < - 0 0 0 -3,-2.1 246,-0.1 5,-0.2 6,-0.1 -0.441 57.7-155.9 -78.4 147.4 35.7 23.0 37.9 69 69 A I S S+ 0 0 0 -2,-0.1 2,-0.3 245,-0.0 -1,-0.1 0.321 77.5 46.4-108.4 6.0 34.6 20.6 35.1 70 70 A S S > S- 0 0 1 3,-0.1 3,-1.2 -50,-0.1 -2,-0.1 -0.971 85.3-116.0-140.4 159.2 33.9 17.8 37.5 71 71 A X T 3 S+ 0 0 15 -2,-0.3 -6,-0.1 1,-0.2 -3,-0.1 0.799 111.4 44.1 -61.8 -33.3 32.0 17.5 40.8 72 72 A D T 3 S+ 0 0 116 -8,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.178 102.5 80.0-104.1 16.3 35.0 16.5 42.9 73 73 A T < + 0 0 20 -3,-1.2 -8,-0.3 -8,-0.1 -5,-0.2 -0.776 46.7 177.7-123.6 165.9 37.6 18.9 41.6 74 74 A S >> - 0 0 2 -2,-0.3 4,-2.2 -10,-0.1 3,-0.6 -0.750 29.3-149.7-167.1 113.2 38.4 22.6 42.1 75 75 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 6,-0.5 0.843 106.6 57.9 -55.0 -30.4 41.1 24.9 40.7 76 76 A A H 3> S+ 0 0 13 3,-0.2 4,-1.5 4,-0.2 -19,-0.1 0.863 108.7 46.9 -65.4 -35.2 40.8 26.8 44.1 77 77 A F H <4 S+ 0 0 152 -3,-0.6 -1,-0.1 2,-0.2 -4,-0.0 0.974 118.5 37.3 -67.1 -59.6 41.7 23.5 45.8 78 78 A T H < S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.1 0.880 135.2 20.8 -59.8 -41.6 44.7 22.5 43.5 79 79 A F H < S- 0 0 47 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.520 86.6-131.1-115.2 -6.4 46.1 26.1 43.1 80 80 A N < + 0 0 148 -4,-1.5 2,-0.3 -5,-0.3 -4,-0.2 0.835 66.9 124.6 54.4 37.4 44.8 28.3 45.9 81 81 A E - 0 0 83 -6,-0.5 -1,-0.2 1,-0.1 -2,-0.2 -0.909 48.1-164.1-125.1 152.9 43.7 30.9 43.3 82 82 A E S S+ 0 0 106 -2,-0.3 -27,-2.7 1,-0.3 2,-0.6 0.822 85.5 42.3-101.5 -48.3 40.4 32.6 42.8 83 83 A H S S- 0 0 35 -29,-0.2 2,-0.3 -33,-0.0 -1,-0.3 -0.928 89.2-145.2-108.0 112.0 40.8 34.1 39.3 84 84 A I - 0 0 0 -2,-0.6 -33,-1.9 -31,-0.4 -31,-0.1 -0.613 2.9-135.0 -92.8 132.9 42.6 31.6 37.2 85 85 A S B > -H 50 0B 12 -2,-0.3 4,-2.0 -35,-0.2 -35,-0.2 -0.361 26.6-117.3 -70.8 158.2 45.1 32.2 34.4 86 86 A G H > S+ 0 0 2 -37,-0.7 4,-2.2 -40,-0.3 5,-0.2 0.875 117.3 53.8 -64.8 -37.4 44.7 30.3 31.2 87 87 A E H > S+ 0 0 156 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.930 110.3 46.0 -62.3 -46.3 48.1 28.6 31.8 88 88 A T H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.845 111.3 52.6 -63.6 -37.6 46.9 27.5 35.3 89 89 A Y H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.839 105.6 53.9 -70.5 -38.1 43.6 26.2 33.9 90 90 A A H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.899 111.2 46.9 -56.3 -44.7 45.4 24.1 31.2 91 91 A E H X S+ 0 0 110 -4,-1.6 4,-3.3 2,-0.2 -2,-0.2 0.854 107.9 55.7 -68.8 -36.9 47.4 22.5 34.1 92 92 A Y H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.961 109.5 46.6 -57.2 -49.7 44.1 22.0 36.1 93 93 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.852 113.5 49.3 -63.1 -34.1 42.8 20.1 33.1 94 94 A Q H X S+ 0 0 56 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.929 110.1 50.2 -69.2 -44.7 46.0 18.1 32.8 95 95 A V H X S+ 0 0 57 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.921 115.0 43.6 -59.1 -45.7 46.0 17.3 36.6 96 96 A V H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.861 112.6 52.0 -68.0 -39.7 42.4 16.0 36.4 97 97 A A H <>S+ 0 0 4 -4,-2.0 5,-2.2 -5,-0.2 4,-0.3 0.896 112.0 46.8 -62.9 -43.8 43.1 14.1 33.1 98 98 A N H ><5S+ 0 0 105 -4,-2.6 3,-0.8 3,-0.2 -2,-0.2 0.916 113.0 49.9 -62.6 -44.6 46.1 12.3 34.7 99 99 A H H 3<5S+ 0 0 131 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.925 114.5 41.0 -63.9 -47.8 44.1 11.5 37.8 100 100 A Y T 3<5S- 0 0 40 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.381 108.5-126.1 -85.1 5.5 41.1 10.0 36.1 101 101 A E T < 5 - 0 0 159 -3,-0.8 -3,-0.2 -4,-0.3 2,-0.1 0.921 36.0-169.8 54.1 56.1 43.4 8.2 33.6 102 102 A L < - 0 0 32 -5,-2.2 2,-1.0 -6,-0.1 -1,-0.1 -0.472 25.1-124.4 -78.1 148.8 41.7 9.6 30.5 103 103 A N E +c 31 0A 77 -73,-0.5 -71,-2.1 -2,-0.1 2,-0.4 -0.811 45.7 169.0 -97.2 96.0 42.7 8.1 27.2 104 104 A I E -c 32 0A 35 -2,-1.0 2,-0.6 -73,-0.2 -71,-0.2 -0.898 28.9-157.0-118.6 137.9 43.8 11.2 25.3 105 105 A F E -c 33 0A 63 -73,-2.9 -71,-2.8 -2,-0.4 3,-0.3 -0.928 18.6-164.0-117.0 105.2 45.6 11.5 22.0 106 106 A E + 0 0 71 -2,-0.6 -69,-0.2 1,-0.2 -71,-0.2 -0.337 67.0 32.6 -81.3 167.9 47.4 14.8 21.7 107 107 A N S S+ 0 0 109 -71,-2.7 2,-0.4 1,-0.2 -72,-0.3 0.884 84.6 129.1 47.8 48.9 48.7 16.3 18.4 108 108 A T - 0 0 4 -74,-2.8 2,-0.8 -3,-0.3 -1,-0.2 -0.897 45.0-159.4-133.8 100.9 45.9 14.7 16.4 109 109 A V - 0 0 62 -2,-0.4 16,-1.3 -74,-0.2 2,-0.4 -0.738 15.9-140.9 -83.8 108.8 43.9 17.0 14.1 110 110 A V E +D 124 0A 17 -2,-0.8 14,-0.3 14,-0.2 157,-0.2 -0.617 26.4 174.3 -69.1 126.4 40.6 15.4 13.4 111 111 A T E + 0 0 65 12,-2.6 2,-0.3 -2,-0.4 13,-0.2 0.723 56.4 11.5-108.9 -32.4 39.9 16.1 9.7 112 112 A N E -D 123 0A 68 11,-1.6 11,-3.2 2,-0.0 2,-0.4 -0.986 49.4-167.3-154.5 137.1 36.7 14.2 8.8 113 113 A I E +D 122 0A 4 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 22.7 164.6-124.4 134.4 33.9 12.3 10.5 114 114 A S E -D 121 0A 42 7,-2.0 7,-3.1 -2,-0.4 2,-0.3 -0.969 36.8 -97.7-147.2 159.4 31.6 10.1 8.5 115 115 A A E +D 120 0A 58 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.595 35.1 176.3 -84.6 132.1 29.0 7.3 9.0 116 116 A D - 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0 0 56 3,-2.7 4,-0.2 -2,-0.3 -1,-0.1 0.264 50.0-115.4-135.5 12.5 19.7 27.4 22.7 303 312 A D S S+ 0 0 150 2,-0.5 3,-0.1 1,-0.1 -2,-0.0 0.780 117.0 69.5 51.4 25.5 18.1 30.8 22.9 304 313 A N S S- 0 0 85 1,-0.5 2,-0.2 49,-0.0 49,-0.2 0.059 121.7 -2.9-136.5 5.3 16.9 29.7 26.3 305 314 A A - 0 0 24 49,-0.1 -3,-2.7 1,-0.0 -2,-0.5 -0.719 55.2-144.6 164.4 136.4 20.6 29.9 27.5 306 315 A K - 0 0 54 -5,-0.2 7,-0.0 -2,-0.2 -1,-0.0 0.518 26.4-153.7 -96.1 -9.0 24.0 30.7 25.8 307 316 A L + 0 0 2 1,-0.1 -7,-0.3 -8,-0.1 6,-0.3 0.651 45.2 140.2 44.4 30.0 25.9 28.2 27.9 308 317 A C + 0 0 66 -9,-0.1 2,-0.3 4,-0.1 -10,-0.2 0.495 48.4 76.1 -82.3 -5.9 29.2 30.2 27.5 309 318 A Y S >> S- 0 0 76 -12,-0.1 4,-2.4 1,-0.1 3,-1.4 -0.847 83.3-124.6-105.0 145.0 30.4 29.7 31.0 310 319 A I H 3> S+ 0 0 22 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.885 111.7 56.9 -47.4 -46.0 31.9 26.5 32.5 311 320 A Y H 34 S+ 0 0 74 -245,-0.3 -1,-0.2 1,-0.2 -244,-0.1 0.700 113.8 41.2 -68.6 -16.2 29.3 26.4 35.3 312 321 A K H X4 S+ 0 0 61 -3,-1.4 3,-1.4 2,-0.1 -2,-0.2 0.897 116.6 41.4 -91.5 -59.1 26.6 26.4 32.6 313 322 A F H >< S+ 0 0 11 -4,-2.4 3,-1.1 -6,-0.3 -16,-0.3 0.752 107.6 62.3 -67.5 -22.9 27.8 24.0 29.9 314 323 A R G >< S+ 0 0 0 -4,-2.0 3,-0.6 -5,-0.3 4,-0.4 0.662 89.6 70.7 -74.6 -15.5 29.2 21.5 32.4 315 324 A A G < S+ 0 0 6 -3,-1.4 32,-3.0 1,-0.2 4,-0.3 0.530 93.4 57.4 -78.6 -4.9 25.6 20.9 33.7 316 325 A R G <> S+ 0 0 5 -3,-1.1 4,-1.8 30,-0.2 -1,-0.2 0.648 82.9 83.3 -96.5 -20.3 24.7 19.2 30.5 317 326 A F H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.3 3,-0.2 0.901 94.0 42.5 -50.3 -53.9 27.4 16.5 30.7 318 327 A A H > S+ 0 0 0 27,-0.5 4,-2.2 -4,-0.4 -1,-0.2 0.778 108.6 59.6 -71.8 -25.3 25.4 14.1 32.9 319 328 A V H > S+ 0 0 12 -4,-0.3 4,-1.6 -3,-0.2 -1,-0.2 0.904 111.5 41.0 -67.7 -38.0 22.2 14.6 31.0 320 329 A L H X S+ 0 0 1 -4,-1.8 4,-2.6 -3,-0.2 -2,-0.2 0.886 111.2 56.4 -75.0 -38.9 23.9 13.3 27.9 321 330 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.917 109.8 46.4 -61.2 -45.0 25.7 10.5 29.7 322 331 A H H X S+ 0 0 40 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.909 110.0 52.4 -60.3 -49.0 22.4 9.2 31.0 323 332 A L H X S+ 0 0 31 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.909 109.7 51.1 -53.2 -44.2 20.8 9.5 27.6 324 333 A L H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.949 108.5 49.9 -61.0 -49.9 23.7 7.4 26.3 325 334 A T H <>S+ 0 0 1 -4,-2.4 5,-2.2 1,-0.2 -1,-0.2 0.836 111.4 49.5 -59.3 -33.2 23.2 4.7 28.9 326 335 A Q H ><5S+ 0 0 83 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.911 108.4 51.4 -74.8 -41.5 19.5 4.5 28.1 327 336 A R H 3<5S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.732 107.0 56.7 -61.8 -22.9 20.1 4.2 24.4 328 337 A E T 3<5S- 0 0 67 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.409 116.2-117.1 -86.0 -2.4 22.6 1.4 25.3 329 338 A G T < 5 + 0 0 68 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.630 68.4 139.9 74.1 14.9 19.8 -0.5 27.1 330 339 A L < - 0 0 84 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.623 59.2 -94.6 -89.9 146.5 21.6 -0.2 30.5 331 340 A P - 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.165 47.0 -95.2 -54.8 151.1 19.8 0.5 33.8 332 341 A A - 0 0 44 1,-0.1 2,-1.5 -6,-0.0 3,-0.1 -0.556 29.6-136.6 -69.3 130.1 19.6 4.1 35.0 333 342 A K > + 0 0 77 -2,-0.3 4,-2.6 1,-0.2 3,-0.3 -0.659 32.0 172.9 -90.1 81.4 22.5 4.8 37.4 334 343 A Q H > S+ 0 0 92 -2,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.740 71.0 61.1 -70.2 -25.8 20.3 6.7 40.0 335 344 A E H > S+ 0 0 147 2,-0.2 4,-1.4 -3,-0.1 -1,-0.2 0.935 113.4 39.5 -55.6 -48.5 23.1 7.0 42.6 336 345 A V H >> S+ 0 0 15 -3,-0.3 4,-2.4 2,-0.2 3,-0.6 0.963 112.5 53.1 -69.8 -53.5 25.1 9.0 40.0 337 346 A I H 3X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.856 109.8 52.4 -48.8 -38.7 22.2 11.0 38.6 338 347 A E H 3X S+ 0 0 104 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.843 106.6 50.8 -71.2 -36.1 21.4 12.0 42.2 339 348 A N H S+ 0 0 2 -4,-2.4 5,-3.0 1,-0.2 3,-0.5 0.915 112.9 48.3 -57.2 -45.5 24.9 15.4 39.8 341 350 A Q H ><5S+ 0 0 94 -4,-2.1 3,-0.9 -5,-0.3 -1,-0.2 0.851 110.9 51.0 -61.5 -37.5 21.5 16.8 40.6 342 351 A K H 3<5S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.717 110.5 50.1 -74.0 -22.0 22.5 17.6 44.1 343 352 A N T 3<5S- 0 0 26 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 -0.136 118.2-104.5-110.9 34.0 25.6 19.4 42.9 344 353 A Q T < 5S+ 0 0 43 -3,-0.9 -3,-0.2 1,-0.1 -2,-0.1 0.736 90.2 115.2 57.7 28.5 23.9 21.6 40.3 345 354 A X < + 0 0 0 -5,-3.0 -27,-0.5 -6,-0.2 -4,-0.2 -0.156 47.8 79.7-128.0 43.0 25.2 19.5 37.4 346 355 A Y + 0 0 32 -6,-0.2 2,-1.8 -5,-0.2 3,-0.2 -0.580 48.6 173.7-143.5 73.2 22.1 18.1 35.9 347 356 A L + 0 0 36 -32,-3.0 3,-0.1 1,-0.2 -28,-0.1 -0.607 18.7 148.8 -85.0 82.7 20.5 20.8 33.7 348 357 A D + 0 0 102 -2,-1.8 2,-0.4 1,-0.2 -1,-0.2 0.619 63.3 47.0 -92.3 -14.8 17.7 18.6 32.2 349 358 A D > - 0 0 87 -3,-0.2 3,-1.3 1,-0.1 -1,-0.2 -0.919 59.2-167.1-133.5 107.2 15.2 21.4 31.8 350 359 A Y G > S+ 0 0 19 -2,-0.4 3,-1.5 1,-0.2 4,-0.2 0.594 80.1 82.1 -65.7 -13.5 16.2 24.8 30.2 351 360 A S G 3 S+ 0 0 60 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.812 93.9 48.4 -59.7 -30.3 12.9 26.4 31.4 352 361 A C G < S+ 0 0 104 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.105 84.7 83.6 -99.0 15.8 14.6 26.8 34.9 353 362 A C < + 0 0 36 -3,-1.5 2,-1.2 -49,-0.2 -1,-0.2 0.437 60.5 130.8 -86.8 -3.4 17.9 28.4 33.6 354 363 A E - 0 0 81 -3,-0.5 2,-0.7 -4,-0.2 -49,-0.1 -0.293 46.8-161.2 -54.5 86.6 15.7 31.6 33.7 355 364 A V + 0 0 99 -2,-1.2 2,-0.2 2,-0.0 -1,-0.1 -0.651 30.6 132.6 -82.4 106.2 18.1 33.8 35.6 356 365 A S - 0 0 119 -2,-0.7 2,-0.2 0, 0.0 -2,-0.0 -0.757 38.8-144.7-159.1 119.5 16.6 36.9 37.2 357 366 A C - 0 0 119 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.477 12.8-140.6 -82.0 145.6 16.9 38.5 40.7 358 367 A T 0 0 146 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 0.641 360.0 360.0 -76.8 -21.0 14.0 40.2 42.6 359 368 A C 0 0 177 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.948 360.0 360.0-172.8 360.0 16.3 43.0 43.9