==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-OCT-07 2RGJ . COMPND 2 MOLECULE: FLAVIN-CONTAINING MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.E.LADNER,J.F.PARSONS,B.T.GREENHAGEN,H.ROBINSON . 376 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 18.1 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 35 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 26.3 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+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 2 0 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 3 0 0 2 1 3 0 0 1 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 . 0 2 0 0 1 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 4 A P 0 0 173 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 82.8 21.3 17.6 97.5 2 5 A I - 0 0 66 23,-0.3 25,-1.5 154,-0.0 2,-0.6 -0.628 360.0-141.4 -90.7 144.3 19.3 16.8 94.3 3 6 A D E -a 27 0A 44 -2,-0.3 153,-2.8 23,-0.1 154,-1.3 -0.911 19.2-160.3-107.2 125.3 19.4 13.6 92.3 4 7 A I E -ab 28 157A 4 23,-3.6 25,-2.2 -2,-0.6 2,-0.5 -0.847 8.3-160.3-111.7 128.2 19.3 14.0 88.6 5 8 A L E -ab 29 158A 7 152,-2.7 154,-2.8 -2,-0.5 2,-0.5 -0.934 7.6-165.8-104.6 128.9 18.4 11.4 86.0 6 9 A I E -ab 30 159A 0 23,-2.4 25,-3.2 -2,-0.5 2,-0.7 -0.977 10.9-147.6-116.0 121.2 19.5 11.9 82.4 7 10 A A E S+ab 31 160A 2 152,-2.1 154,-1.5 -2,-0.5 25,-0.2 -0.777 71.4 28.3 -84.3 112.7 17.9 9.8 79.6 8 11 A G - 0 0 7 23,-4.0 24,-0.2 -2,-0.7 23,-0.1 0.399 57.8-146.4 106.6 124.0 20.5 9.3 76.9 9 12 A A + 0 0 0 4,-0.2 -1,-0.1 21,-0.1 23,-0.1 -0.134 60.8 118.4-109.6 35.1 24.3 9.1 77.1 10 13 A G S > S- 0 0 15 151,-0.5 4,-2.0 4,-0.0 5,-0.3 0.217 89.4 -65.0 -79.4-149.2 24.9 10.7 73.6 11 14 A I H > S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.915 135.5 44.2 -75.9 -41.6 26.7 13.9 73.2 12 15 A G H > S+ 0 0 10 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.866 114.8 49.5 -65.4 -42.2 24.2 16.1 75.0 13 16 A G H > S+ 0 0 0 148,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.944 113.2 42.5 -68.9 -51.9 23.7 13.7 77.9 14 17 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.920 116.4 48.6 -61.4 -42.0 27.4 13.1 78.8 15 18 A S H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.3 -1,-0.2 0.906 110.0 51.4 -69.6 -40.8 28.3 16.7 78.4 16 19 A C H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.906 107.2 53.7 -56.9 -44.7 25.4 17.9 80.5 17 20 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.935 110.4 48.2 -58.3 -47.0 26.5 15.4 83.2 18 21 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.905 111.5 48.5 -58.8 -44.9 29.9 17.0 83.1 19 22 A A H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.935 111.7 49.9 -63.3 -44.2 28.5 20.5 83.3 20 23 A L H <>S+ 0 0 0 -4,-3.1 5,-1.9 2,-0.2 4,-0.5 0.974 111.3 49.7 -53.7 -60.9 26.3 19.5 86.2 21 24 A H H ><5S+ 0 0 72 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.883 111.6 47.3 -42.0 -55.3 29.4 18.0 88.0 22 25 A Q H 3<5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.911 108.4 55.2 -57.5 -43.8 31.6 21.1 87.4 23 26 A A T 3<5S- 0 0 43 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.491 119.8-114.5 -70.3 -4.4 28.7 23.3 88.7 24 27 A G T < 5 + 0 0 63 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.770 62.9 153.4 80.5 34.6 28.8 21.2 91.8 25 28 A I < - 0 0 16 -5,-1.9 2,-0.7 1,-0.2 -23,-0.3 0.493 36.7-146.1 -89.1 -9.4 25.3 19.7 91.3 26 29 A G + 0 0 59 -5,-0.2 2,-0.7 -6,-0.2 -1,-0.2 -0.722 60.2 35.7 106.1-109.5 25.7 16.4 93.1 27 30 A K E +a 3 0A 137 -25,-1.5 -23,-3.6 -2,-0.7 2,-0.4 -0.856 59.1 164.8-100.2 117.3 24.0 13.2 92.1 28 31 A V E +a 4 0A 6 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.993 6.5 175.4-126.0 133.5 23.7 12.6 88.4 29 32 A T E -a 5 0A 20 -25,-2.2 -23,-2.4 -2,-0.4 2,-0.4 -0.952 14.6-153.0-129.8 139.6 22.9 9.1 86.8 30 33 A L E -ac 6 123A 0 92,-3.0 94,-2.9 -2,-0.3 2,-0.5 -0.986 2.8-150.8-123.8 144.5 22.4 8.6 83.2 31 34 A L E -ac 7 124A 2 -25,-3.2 -23,-4.0 -2,-0.4 2,-0.5 -0.944 12.2-174.9-115.7 123.0 20.4 6.0 81.4 32 35 A E E - c 0 125A 27 92,-2.4 95,-2.0 -2,-0.5 94,-1.0 -0.971 20.4-151.4-124.8 120.8 21.3 4.8 77.9 33 36 A S S S+ 0 0 82 -2,-0.5 95,-0.3 93,-0.2 2,-0.2 0.749 72.5 94.8 -61.7 -27.3 19.1 2.4 75.9 34 37 A S S S- 0 0 49 93,-0.2 92,-2.1 1,-0.1 93,-0.3 -0.477 77.7-133.7 -70.4 137.7 22.1 1.0 74.0 35 38 A S S S+ 0 0 85 90,-0.2 2,-0.3 91,-0.2 -1,-0.1 0.892 89.9 8.7 -62.5 -47.3 23.6 -2.2 75.6 36 39 A E S S- 0 0 125 89,-0.1 2,-0.6 90,-0.0 -1,-0.1 -0.913 87.5-108.1-126.8 160.3 27.2 -0.9 75.2 37 40 A I - 0 0 23 -2,-0.3 88,-0.0 -3,-0.0 -27,-0.0 -0.814 39.5-166.2 -97.5 123.6 28.4 2.6 74.2 38 41 A R - 0 0 107 -2,-0.6 2,-3.0 1,-0.0 69,-0.1 -0.851 32.3-120.8-117.2 137.6 29.9 2.7 70.8 39 42 A P + 0 0 64 0, 0.0 65,-0.4 0, 0.0 66,-0.2 -0.305 59.1 158.0 -66.5 59.7 32.1 5.3 68.8 40 43 A L + 0 0 68 -2,-3.0 67,-0.2 64,-0.2 2,-0.1 -0.545 24.0 50.1 -89.0 156.7 29.4 5.5 66.1 41 44 A G S S- 0 0 15 -2,-0.2 63,-0.3 62,-0.1 2,-0.1 -0.378 70.1 -99.7 108.3 178.4 28.9 8.3 63.6 42 45 A V - 0 0 3 1,-0.3 61,-2.9 -2,-0.1 62,-0.1 -0.171 64.1 -32.2-120.5-157.4 31.0 10.3 61.2 43 46 A G E -F 102 0B 9 146,-0.2 -1,-0.3 59,-0.2 2,-0.3 -0.307 56.4-178.5 -65.0 147.9 32.7 13.8 61.4 44 47 A I E -F 101 0B 39 57,-3.0 57,-3.1 174,-0.1 2,-0.5 -0.942 22.0-123.1-136.3 165.0 31.0 16.6 63.3 45 48 A N E -F 100 0B 18 -2,-0.3 2,-0.6 273,-0.2 276,-0.5 -0.940 11.6-160.1-111.4 126.9 31.9 20.3 63.9 46 49 A I E -F 99 0B 0 53,-3.6 53,-2.2 -2,-0.5 271,-0.1 -0.915 21.7-138.2-102.2 112.4 32.4 21.8 67.3 47 50 A Q >> - 0 0 28 -2,-0.6 4,-2.2 51,-0.2 3,-1.0 -0.302 27.3-102.5 -68.5 153.7 32.0 25.6 67.1 48 51 A P H 3> S+ 0 0 13 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.852 119.7 53.6 -45.7 -43.9 34.5 27.8 69.1 49 52 A A H 3> S+ 0 0 58 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.830 111.4 45.6 -63.6 -34.2 31.9 28.7 71.9 50 53 A A H <> S+ 0 0 0 -3,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.859 111.8 51.4 -75.9 -35.8 31.2 24.9 72.5 51 54 A V H X S+ 0 0 2 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.902 106.6 56.2 -63.7 -41.3 35.0 24.1 72.4 52 55 A E H X S+ 0 0 76 -4,-2.9 4,-2.1 -5,-0.3 -2,-0.2 0.938 109.5 45.3 -52.8 -47.8 35.3 26.9 75.0 53 56 A A H X S+ 0 0 9 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.929 112.8 49.1 -64.4 -46.6 32.8 25.1 77.2 54 57 A L H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 6,-0.3 0.889 112.4 48.7 -62.3 -37.5 34.5 21.7 76.7 55 58 A A H ><5S+ 0 0 25 -4,-3.2 3,-1.9 4,-0.3 5,-0.4 0.868 107.3 55.5 -64.3 -38.8 37.9 23.3 77.5 56 59 A E H 3<5S+ 0 0 125 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.828 105.3 53.3 -63.7 -31.8 36.3 24.9 80.6 57 60 A L T 3<5S- 0 0 6 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.229 128.3-101.1 -87.3 10.2 35.3 21.4 81.6 58 61 A G T < 5S+ 0 0 50 -3,-1.9 -3,-0.2 -5,-0.1 4,-0.2 0.696 91.3 117.0 82.0 23.8 38.9 20.2 81.2 59 62 A L >< + 0 0 7 -5,-2.5 4,-2.6 -8,-0.2 3,-0.5 0.450 37.1 108.9-102.6 -0.6 38.7 18.5 77.8 60 63 A G H > S+ 0 0 23 -5,-0.4 4,-1.8 -6,-0.3 -1,-0.1 0.834 82.5 37.6 -43.1 -55.4 41.1 20.9 76.0 61 64 A P H > S+ 0 0 96 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.773 112.1 57.2 -75.7 -26.1 44.0 18.5 75.5 62 65 A A H 4 S+ 0 0 39 -3,-0.5 -2,-0.2 2,-0.2 4,-0.2 0.936 112.4 43.9 -67.4 -41.5 41.9 15.4 74.9 63 66 A L H >X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 3,-1.4 0.881 110.4 55.3 -62.9 -39.8 40.3 17.4 72.0 64 67 A A H 3< S+ 0 0 53 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.3 48.2 -68.2 -32.7 43.7 18.7 70.9 65 68 A A T 3< S+ 0 0 68 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.396 125.6 27.0 -85.3 1.6 45.0 15.1 70.6 66 69 A T T <4 S+ 0 0 14 -3,-1.4 154,-2.8 -4,-0.2 155,-0.5 0.655 107.8 60.7-125.5 -44.0 41.9 13.9 68.6 67 70 A A S < S- 0 0 1 -4,-3.0 34,-0.2 152,-0.2 152,-0.2 -0.438 74.3-114.6-100.4 163.6 40.3 16.6 66.6 68 71 A I B -G 100 0B 9 32,-2.6 32,-2.3 150,-0.2 2,-1.8 -0.860 17.4-135.8 -98.7 128.9 41.4 19.0 63.8 69 72 A P - 0 0 55 0, 0.0 30,-0.2 0, 0.0 19,-0.1 -0.544 27.7-151.0 -82.1 73.6 41.6 22.7 64.4 70 73 A T + 0 0 1 -2,-1.8 28,-0.5 28,-0.3 131,-0.2 -0.189 22.6 175.3 -41.4 118.3 40.0 23.7 61.1 71 74 A H + 0 0 25 129,-2.6 17,-2.9 1,-0.2 2,-0.3 0.548 56.4 40.6-112.0 -10.0 41.4 27.1 60.2 72 75 A E E -Hi 87 201C 39 128,-1.1 130,-3.2 15,-0.3 2,-0.5 -0.997 49.5-163.1-149.6 140.7 39.8 27.6 56.8 73 76 A L E -Hi 86 202C 26 13,-2.8 13,-2.5 -2,-0.3 2,-0.4 -0.995 17.0-173.1-121.2 120.4 36.7 27.2 54.8 74 77 A R E -Hi 85 203C 73 128,-2.8 130,-2.6 -2,-0.5 2,-0.5 -0.959 12.1-158.2-107.8 131.3 37.0 27.4 50.9 75 78 A Y E -Hi 84 204C 74 9,-3.3 8,-2.4 -2,-0.4 9,-1.6 -0.949 21.4-163.9-103.0 125.5 34.0 27.4 48.6 76 79 A I E -H 82 0C 0 128,-2.6 130,-0.5 -2,-0.5 6,-0.3 -0.894 12.3-125.3-116.2 141.8 35.1 26.2 45.2 77 80 A D > - 0 0 51 4,-3.1 3,-1.7 -2,-0.4 -1,-0.1 -0.073 41.5 -88.1 -75.2-179.7 33.4 26.5 41.7 78 81 A Q T 3 S+ 0 0 40 1,-0.3 189,-0.6 2,-0.1 -1,-0.1 0.588 127.5 53.1 -71.0 -8.4 32.7 23.6 39.4 79 82 A S T 3 S- 0 0 85 2,-0.1 -1,-0.3 187,-0.1 189,-0.0 0.395 124.2 -99.9-102.1 1.9 36.1 23.9 37.7 80 83 A G S < S+ 0 0 8 -3,-1.7 -2,-0.1 1,-0.3 2,-0.1 0.322 75.0 141.9 99.6 -6.0 38.0 23.7 41.1 81 84 A A - 0 0 47 -5,-0.1 -4,-3.1 1,-0.1 2,-0.7 -0.431 57.1-116.2 -76.3 143.4 38.6 27.4 41.6 82 85 A T E +H 76 0C 67 -6,-0.3 -6,-0.3 1,-0.2 3,-0.1 -0.655 39.3 168.1 -72.6 112.5 38.4 29.0 45.0 83 86 A V E + 0 0 90 -8,-2.4 2,-0.4 -2,-0.7 -1,-0.2 0.887 66.7 19.3 -88.6 -54.9 35.6 31.5 44.8 84 87 A W E -H 75 0C 148 -9,-1.6 -9,-3.3 2,-0.0 2,-0.4 -0.950 65.9-178.2-122.3 141.6 35.1 32.3 48.5 85 88 A S E +H 74 0C 55 -2,-0.4 -11,-0.2 -11,-0.2 -13,-0.0 -0.994 2.5 175.6-138.0 141.4 37.5 31.8 51.4 86 89 A E E -H 73 0C 47 -13,-2.5 -13,-2.8 -2,-0.4 2,-0.1 -0.998 29.2-115.5-146.8 145.8 37.3 32.5 55.1 87 90 A P E -H 72 0C 70 0, 0.0 -15,-0.3 0, 0.0 2,-0.3 -0.400 31.6-160.4 -69.6 153.4 39.3 31.9 58.2 88 91 A R > - 0 0 67 -17,-2.9 3,-0.8 -19,-0.1 4,-0.2 -0.913 46.1 -6.5-130.1 159.1 38.0 29.6 60.9 89 92 A G G > >S- 0 0 2 -2,-0.3 5,-1.6 1,-0.2 3,-1.5 -0.247 126.0 -3.1 63.9-138.1 38.6 29.1 64.6 90 93 A V G > 5S+ 0 0 85 1,-0.3 3,-2.1 3,-0.2 -1,-0.2 0.897 132.7 56.9 -56.6 -42.2 41.5 31.0 66.3 91 94 A E G < 5S+ 0 0 121 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.668 102.4 56.6 -63.2 -18.4 42.6 32.6 63.0 92 95 A A G < 5S- 0 0 46 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.407 131.6 -88.9 -95.2 -3.1 39.1 34.1 62.6 93 96 A G T < 5S+ 0 0 70 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.509 81.8 136.1 110.1 8.4 39.3 35.8 65.9 94 97 A N < - 0 0 64 -5,-1.6 -1,-0.3 1,-0.1 -2,-0.1 -0.669 57.0-134.8 -88.8 147.2 37.9 33.2 68.3 95 98 A A S S+ 0 0 81 -2,-0.3 -1,-0.1 2,-0.1 -5,-0.1 0.790 92.1 34.6 -68.8 -25.5 39.6 32.6 71.6 96 99 A Y S S- 0 0 82 -7,-0.1 -2,-0.1 1,-0.0 -44,-0.1 -0.842 91.2 -98.9-125.2 160.2 39.3 28.8 70.9 97 100 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 -46,-0.2 -0.381 25.7-121.9 -68.4 154.0 39.5 26.6 67.9 98 101 A Q - 0 0 2 -28,-0.5 2,-0.5 -47,-0.1 -28,-0.3 -0.816 37.4-147.4 -75.1 136.7 36.6 25.2 66.0 99 102 A Y E -F 46 0B 27 -53,-2.2 -53,-3.6 -2,-0.4 2,-0.6 -0.954 13.6-159.1-115.7 127.7 37.2 21.4 66.2 100 103 A S E +FG 45 68B 0 -32,-2.3 -32,-2.6 -2,-0.5 2,-0.3 -0.928 33.0 165.0-101.7 122.8 36.2 19.0 63.5 101 104 A I E -F 44 0B 0 -57,-3.1 -57,-3.0 -2,-0.6 2,-0.3 -0.957 46.3 -99.1-144.5 151.2 36.0 15.6 65.1 102 105 A H E > -F 43 0B 37 116,-0.7 4,-2.6 -2,-0.3 -59,-0.2 -0.573 36.9-134.8 -67.3 126.8 34.8 12.1 64.7 103 106 A R H > S+ 0 0 67 -61,-2.9 4,-2.8 -2,-0.3 -63,-0.1 0.896 102.4 46.2 -54.1 -44.5 31.5 11.9 66.6 104 107 A G H > S+ 0 0 0 -65,-0.4 4,-2.1 -63,-0.3 -1,-0.2 0.850 109.1 54.0 -73.1 -36.4 32.3 8.6 68.3 105 108 A E H > S+ 0 0 49 2,-0.2 4,-2.0 -66,-0.2 -1,-0.2 0.951 111.0 47.9 -56.0 -46.3 35.8 9.7 69.3 106 109 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.924 110.1 52.3 -59.4 -45.3 34.1 12.8 70.9 107 110 A Q H X S+ 0 0 10 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.874 108.1 50.7 -56.5 -38.8 31.6 10.5 72.6 108 111 A X H X S+ 0 0 56 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.874 109.0 51.0 -65.9 -42.7 34.5 8.3 74.1 109 112 A I H X S+ 0 0 23 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.920 114.6 44.5 -58.1 -45.4 36.3 11.4 75.4 110 113 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.905 112.7 50.8 -65.4 -42.5 33.0 12.4 77.1 111 114 A L H X S+ 0 0 8 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.931 111.2 47.8 -64.9 -45.2 32.3 8.9 78.3 112 115 A A H X S+ 0 0 44 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.918 110.8 51.7 -59.6 -48.2 35.8 8.6 79.9 113 116 A A H X S+ 0 0 5 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.955 113.5 43.6 -52.8 -55.7 35.5 12.1 81.6 114 117 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.915 115.2 49.5 -54.5 -50.3 32.1 11.2 83.1 115 118 A R H X S+ 0 0 64 -4,-2.9 4,-1.2 -5,-0.2 -2,-0.2 0.932 115.1 43.5 -56.4 -48.2 33.3 7.7 84.2 116 119 A E H < S+ 0 0 166 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.852 119.0 42.8 -61.8 -41.4 36.5 9.1 85.8 117 120 A R H < S+ 0 0 75 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.656 130.0 19.0 -89.9 -23.1 34.8 12.0 87.5 118 121 A L H < S- 0 0 43 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.316 114.1 -94.8-130.5 15.1 31.6 10.4 88.9 119 122 A G >< - 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0 0 0 -145,-2.2 3,-0.9 -2,-0.3 4,-0.3 -0.976 48.5 -4.5-147.3 154.3 18.1 19.0 76.0 306 309 A G T >> S- 0 0 4 -2,-0.3 4,-2.3 1,-0.2 3,-1.9 -0.181 125.7 -12.5 61.6-153.1 20.0 18.5 72.7 307 310 A D H 3> S+ 0 0 35 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.787 134.1 64.5 -48.5 -34.8 18.2 16.9 69.7 308 311 A A H <4 S+ 0 0 0 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.830 112.8 34.0 -56.7 -36.0 15.4 15.9 72.1 309 312 A A H <4 S+ 0 0 2 -3,-1.9 -2,-0.2 -4,-0.3 -15,-0.2 0.879 141.8 2.7 -83.6 -46.1 14.7 19.7 72.6 310 313 A H H < - 0 0 4 -4,-2.3 9,-0.2 -17,-0.1 -2,-0.2 -0.512 66.3-165.6-152.5 66.4 15.5 21.1 69.2 311 314 A L < + 0 0 1 -4,-0.9 -20,-1.4 -3,-0.1 2,-0.3 -0.428 22.4 179.9 -60.9 128.7 16.5 18.6 66.4 312 315 A X - 0 0 9 -22,-0.2 -23,-0.2 -2,-0.1 -22,-0.1 -0.841 38.4 -77.5-124.3 163.6 18.0 20.6 63.5 313 316 A Y - 0 0 10 -2,-0.3 2,-2.4 1,-0.1 5,-0.2 -0.432 54.2-112.6 -56.5 128.8 19.4 20.0 60.1 314 317 A P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.384 75.3 113.2 -70.3 74.6 23.0 18.6 60.6 315 318 A X S > S- 0 0 55 -2,-2.4 3,-2.0 -270,-0.0 2,-0.2 -0.988 72.0 -24.2-139.7 154.9 25.0 21.5 59.2 316 319 A G T 3 S- 0 0 50 -2,-0.3 -271,-0.2 1,-0.2 -269,-0.1 -0.273 126.1 -5.7 59.8-112.1 27.3 24.1 60.5 317 320 A A T 3 S+ 0 0 34 -2,-0.2 5,-0.3 -271,-0.1 -1,-0.2 0.215 105.6 107.2-108.2 7.3 26.9 24.9 64.2 318 321 A N < + 0 0 21 -3,-2.0 2,-0.6 -5,-0.2 3,-0.5 -0.405 66.9 24.1 -79.5 162.9 23.8 22.7 64.8 319 322 A G S > S+ 0 0 23 -9,-0.2 4,-2.1 1,-0.2 3,-0.3 -0.750 123.1 19.6 91.5-120.4 23.8 19.5 66.7 320 323 A A H > S+ 0 0 15 -2,-0.6 4,-3.1 1,-0.2 5,-0.3 0.880 121.4 57.9 -60.0 -42.9 26.6 18.8 69.2 321 324 A S H > S+ 0 0 1 -276,-0.5 4,-1.7 -3,-0.5 -1,-0.2 0.901 111.4 42.7 -53.1 -45.2 27.5 22.6 69.6 322 325 A Q H > S+ 0 0 22 -3,-0.3 4,-1.8 -5,-0.3 -1,-0.2 0.881 113.4 51.7 -72.4 -37.1 24.0 23.4 70.7 323 326 A A H X S+ 0 0 5 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.916 110.2 48.4 -65.7 -45.2 23.6 20.3 72.9 324 327 A I H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.911 112.8 49.2 -56.9 -43.1 26.9 21.1 74.8 325 328 A L H X S+ 0 0 43 -4,-1.7 4,-1.4 -5,-0.3 -2,-0.2 0.767 106.1 56.3 -73.0 -27.1 25.7 24.8 75.2 326 329 A D H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.882 106.2 51.9 -59.5 -45.2 22.3 23.6 76.5 327 330 A G H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.917 105.6 53.0 -67.5 -44.8 24.1 21.6 79.2 328 331 A I H X S+ 0 0 61 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.924 112.2 46.2 -50.9 -48.3 26.2 24.6 80.4 329 332 A E H X S+ 0 0 51 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.840 111.6 51.1 -68.5 -34.2 23.0 26.6 80.7 330 333 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.935 111.5 46.2 -70.4 -51.5 21.1 23.9 82.6 331 334 A A H X S+ 0 0 3 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.938 115.7 47.6 -50.1 -51.0 23.9 23.3 85.1 332 335 A A H X S+ 0 0 42 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.943 112.9 47.9 -62.5 -45.4 24.1 27.1 85.6 333 336 A A H >X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 3,-0.5 0.955 113.4 47.5 -56.5 -53.4 20.3 27.4 85.9 334 337 A L H 3< S+ 0 0 18 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.756 112.3 50.7 -56.6 -30.3 20.1 24.5 88.5 335 338 A A H 3< S+ 0 0 59 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.812 112.6 46.4 -77.8 -30.6 23.1 26.1 90.4 336 339 A R H << S+ 0 0 144 -4,-1.6 2,-0.5 -3,-0.5 -2,-0.2 0.843 109.7 50.4 -83.9 -42.0 21.5 29.5 90.6 337 340 A N < - 0 0 45 -4,-2.0 -1,-0.2 -5,-0.2 6,-0.2 -0.920 56.9-162.1-112.9 119.0 17.9 28.7 91.7 338 341 A A S S+ 0 0 111 -2,-0.5 2,-1.2 1,-0.1 -1,-0.1 0.771 79.6 81.4 -64.6 -29.3 17.0 26.4 94.6 339 342 A D S >> S- 0 0 92 1,-0.2 4,-1.8 2,-0.1 3,-0.9 -0.674 73.4-157.5 -82.7 94.1 13.5 25.9 93.3 340 343 A V H 3> S+ 0 0 13 -2,-1.2 4,-2.8 1,-0.3 5,-0.2 0.749 85.3 50.5 -43.1 -47.4 14.0 23.2 90.6 341 344 A A H 3> S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.891 112.8 47.2 -66.5 -37.3 10.9 23.8 88.4 342 345 A A H <> S+ 0 0 11 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.857 112.2 51.0 -69.9 -33.3 11.7 27.5 88.2 343 346 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.970 109.3 49.9 -63.2 -55.8 15.4 26.6 87.4 344 347 A L H X S+ 0 0 2 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.841 113.5 46.8 -46.4 -44.7 14.3 24.2 84.6 345 348 A R H X S+ 0 0 126 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.866 110.2 52.4 -64.2 -42.6 12.1 27.0 83.2 346 349 A E H X S+ 0 0 76 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.791 106.4 55.5 -67.2 -31.7 14.8 29.5 83.4 347 350 A Y H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.933 112.1 40.4 -62.4 -47.5 17.1 27.2 81.5 348 351 A E H X S+ 0 0 2 -4,-1.4 4,-3.7 2,-0.3 -2,-0.2 0.740 108.0 59.1 -82.3 -23.8 14.8 26.8 78.5 349 352 A E H < S+ 0 0 94 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.788 110.3 46.5 -73.2 -23.8 13.7 30.4 78.4 350 353 A A H < S+ 0 0 40 -4,-0.8 4,-0.4 -5,-0.2 -2,-0.3 0.926 127.5 25.6 -74.1 -42.9 17.4 31.0 77.9 351 354 A R H X S+ 0 0 35 -4,-1.7 4,-2.0 2,-0.1 -2,-0.2 0.764 107.5 67.7 -99.7 -28.6 17.8 28.3 75.2 352 355 A R H X S+ 0 0 37 -4,-3.7 4,-2.9 2,-0.2 5,-0.2 0.895 97.7 49.6 -63.2 -46.6 14.4 27.8 73.5 353 356 A P H > S+ 0 0 46 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.906 113.0 48.0 -65.4 -38.9 14.0 31.1 71.6 354 357 A T H > S+ 0 0 51 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.949 112.8 49.2 -58.0 -50.6 17.6 30.9 70.1 355 358 A A H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.885 112.3 47.6 -58.6 -44.5 16.9 27.2 69.1 356 359 A N H X S+ 0 0 21 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.835 107.1 57.3 -67.3 -32.1 13.6 28.2 67.5 357 360 A K H X S+ 0 0 139 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.924 110.2 45.1 -59.8 -42.2 15.4 31.2 65.7 358 361 A I H X S+ 0 0 37 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.914 110.3 52.6 -74.1 -44.0 17.8 28.7 64.1 359 362 A I H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.963 113.1 44.0 -53.5 -52.2 15.2 26.2 63.1 360 363 A L H X S+ 0 0 100 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.866 114.9 48.4 -65.7 -34.7 13.1 28.9 61.3 361 364 A A H X S+ 0 0 52 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.910 109.4 52.2 -71.9 -44.2 16.1 30.5 59.6 362 365 A N H X S+ 0 0 20 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.881 110.5 48.7 -53.1 -47.0 17.5 27.2 58.4 363 366 A R H X S+ 0 0 63 -4,-1.9 4,-3.1 -5,-0.2 -2,-0.2 0.960 113.7 47.1 -60.3 -47.9 14.1 26.3 56.8 364 367 A E H X S+ 0 0 108 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.896 112.3 47.4 -64.4 -46.7 13.9 29.7 55.1 365 368 A R H X S+ 0 0 146 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.917 115.0 48.3 -56.0 -46.8 17.5 29.6 53.7 366 369 A E H X S+ 0 0 13 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.938 111.3 49.4 -60.3 -47.7 16.9 26.1 52.5 367 370 A K H X S+ 0 0 134 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.907 112.0 48.1 -54.5 -50.4 13.6 27.1 50.9 368 371 A E H X S+ 0 0 110 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.864 111.4 48.9 -62.4 -42.9 15.1 30.1 49.1 369 372 A E H X S+ 0 0 33 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.851 111.8 49.7 -69.1 -34.5 18.0 28.2 47.7 370 373 A W H X S+ 0 0 116 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.946 110.0 50.3 -67.2 -48.4 15.8 25.4 46.4 371 374 A A H X S+ 0 0 49 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.898 112.3 48.4 -54.0 -45.0 13.4 28.0 44.7 372 375 A A H < S+ 0 0 69 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.853 109.6 51.8 -63.2 -39.8 16.5 29.6 43.1 373 376 A A H < S+ 0 0 40 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.721 105.3 58.7 -66.1 -25.6 17.9 26.2 41.9 374 377 A S H < S+ 0 0 68 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.724 81.3 95.1 -86.2 -24.6 14.5 25.4 40.3 375 378 A R < 0 0 206 -4,-0.9 -3,-0.0 -3,-0.4 0, 0.0 -0.397 360.0 360.0 -64.4 144.4 14.3 28.4 37.9 376 379 A P 0 0 181 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.604 360.0 360.0 -82.2 360.0 15.5 27.6 34.3