==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-FEB-10 3LT5 . COMPND 2 MOLECULE: FMN-DEPENDENT NADH-AZOREDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.RYAN,N.LAURIERI,I.WESTWOOD,C.-J.WANG,E.LOWE,E.SIM . 408 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 3.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 1 2 0 0 3 2 1 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 3 2 3 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 . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 117 0, 0.0 2,-0.4 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 41.5 -38.1 -42.6 15.2 2 2 A S - 0 0 15 31,-0.1 2,-0.5 87,-0.0 35,-0.3 -0.944 360.0-138.2-115.8 139.5 -36.6 -39.4 13.7 3 3 A R - 0 0 109 -2,-0.4 86,-3.3 33,-0.2 87,-1.9 -0.833 31.3-149.4 -88.0 126.9 -33.8 -39.1 11.2 4 4 A I E -ab 38 90A 3 33,-3.6 35,-3.6 -2,-0.5 2,-0.6 -0.862 20.6-166.3-111.1 134.3 -31.7 -36.2 12.3 5 5 A L E -ab 39 91A 0 85,-2.6 87,-3.1 -2,-0.4 2,-0.6 -0.965 13.5-167.6-108.5 114.1 -29.6 -33.6 10.4 6 6 A A E -ab 40 92A 1 33,-3.7 35,-3.3 -2,-0.6 2,-0.6 -0.913 1.8-169.0-104.8 118.6 -27.2 -31.7 12.6 7 7 A V E -ab 41 93A 0 85,-3.4 87,-2.5 -2,-0.6 2,-0.5 -0.927 5.7-160.2-108.2 112.7 -25.6 -28.6 11.1 8 8 A H E +ab 42 94A 3 33,-1.5 35,-2.6 -2,-0.6 36,-1.0 -0.853 14.3 174.4-100.0 123.3 -22.8 -27.1 13.2 9 9 A A + 0 0 0 85,-2.6 97,-0.2 -2,-0.5 96,-0.2 0.537 43.6 101.9-108.8 -11.6 -21.8 -23.5 12.4 10 10 A S - 0 0 4 84,-0.2 35,-0.3 1,-0.1 34,-0.3 -0.605 60.6-147.7 -72.8 137.9 -19.3 -22.5 15.0 11 11 A P S S+ 0 0 6 0, 0.0 253,-0.4 0, 0.0 2,-0.2 0.635 77.3 90.7 -71.0 -19.0 -15.6 -22.5 13.9 12 12 A R - 0 0 51 1,-0.1 33,-0.1 251,-0.1 -2,-0.1 -0.498 60.8-163.6 -82.1 152.6 -14.7 -23.4 17.4 13 13 A G S > S- 0 0 14 -2,-0.2 3,-1.8 6,-0.0 7,-0.2 0.677 74.7 -0.6 -98.9-106.2 -14.4 -27.0 18.5 14 14 A E T 3 S+ 0 0 111 1,-0.3 6,-0.1 5,-0.1 -2,-0.1 0.811 133.5 57.4 -58.5 -32.8 -14.4 -28.1 22.2 15 15 A R T 3 S+ 0 0 181 4,-0.0 2,-0.4 5,-0.0 -1,-0.3 0.532 79.8 109.9 -76.1 -8.1 -14.7 -24.5 23.1 16 16 A S <> - 0 0 2 -3,-1.8 4,-1.9 1,-0.2 5,-0.1 -0.569 48.4-168.6 -73.7 123.0 -17.9 -23.9 21.1 17 17 A Q H > S+ 0 0 44 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.891 88.7 50.0 -76.1 -39.4 -20.9 -23.4 23.5 18 18 A S H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.902 114.4 45.2 -67.0 -38.0 -23.5 -23.8 20.7 19 19 A R H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.935 113.2 50.9 -66.6 -46.4 -21.8 -27.0 19.5 20 20 A R H X S+ 0 0 87 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.901 111.6 47.0 -57.3 -41.7 -21.6 -28.2 23.1 21 21 A L H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.845 111.2 50.8 -72.7 -34.3 -25.3 -27.5 23.7 22 22 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.838 107.6 52.8 -70.2 -35.0 -26.4 -29.2 20.5 23 23 A E H X S+ 0 0 57 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.808 104.4 57.7 -71.6 -28.9 -24.4 -32.4 21.3 24 24 A V H X S+ 0 0 35 -4,-1.3 4,-2.0 -5,-0.2 -2,-0.2 0.961 110.2 43.0 -61.7 -52.3 -26.2 -32.4 24.6 25 25 A F H X S+ 0 0 2 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.936 115.0 50.3 -53.3 -49.5 -29.5 -32.6 22.8 26 26 A L H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.869 112.4 44.9 -63.6 -39.6 -28.1 -35.1 20.3 27 27 A A H X S+ 0 0 55 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.818 114.0 50.1 -75.1 -33.2 -26.7 -37.5 22.9 28 28 A A H X S+ 0 0 16 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.903 110.6 49.9 -66.9 -44.0 -29.9 -37.2 25.0 29 29 A Y H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.894 108.4 54.5 -59.2 -39.1 -32.0 -37.9 21.9 30 30 A R H < S+ 0 0 94 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.813 103.0 55.6 -66.2 -33.3 -29.7 -40.9 21.3 31 31 A E H < S+ 0 0 166 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.865 113.0 41.1 -66.9 -37.0 -30.4 -42.3 24.7 32 32 A A H < S+ 0 0 54 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.738 127.6 33.6 -80.8 -23.6 -34.1 -42.3 24.1 33 33 A H >< + 0 0 40 -4,-1.5 3,-2.3 -5,-0.2 -1,-0.2 -0.586 64.0 174.5-137.6 73.0 -33.7 -43.6 20.5 34 34 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.706 82.9 47.7 -53.4 -26.7 -30.8 -46.0 20.2 35 35 A Q T 3 S+ 0 0 107 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.313 83.5 119.6-102.1 7.1 -31.6 -46.8 16.6 36 36 A A < - 0 0 12 -3,-2.3 2,-0.5 -6,-0.2 -33,-0.2 -0.428 62.4-123.4 -75.2 146.7 -32.1 -43.2 15.3 37 37 A R - 0 0 63 -35,-0.3 -33,-3.6 -2,-0.1 2,-0.5 -0.799 24.0-170.4 -93.9 125.9 -29.9 -41.9 12.5 38 38 A V E -a 4 0A 31 -2,-0.5 2,-0.4 -35,-0.2 -33,-0.2 -0.973 1.3-168.2-115.4 118.7 -27.9 -38.7 13.1 39 39 A A E -a 5 0A 46 -35,-3.6 -33,-3.7 -2,-0.5 2,-0.5 -0.898 8.1-153.3-103.1 134.6 -26.2 -37.0 10.2 40 40 A R E -a 6 0A 132 -2,-0.4 2,-0.5 -35,-0.2 -33,-0.2 -0.927 8.8-171.1-112.3 129.8 -23.7 -34.3 10.9 41 41 A R E -a 7 0A 40 -35,-3.3 -33,-1.5 -2,-0.5 2,-0.5 -0.952 14.2-147.6-121.3 110.6 -22.9 -31.5 8.4 42 42 A E E +a 8 0A 43 -2,-0.5 -33,-0.1 -35,-0.2 -35,-0.1 -0.657 34.4 151.2 -81.7 120.2 -19.9 -29.2 9.3 43 43 A V S S+ 0 0 3 -35,-2.6 5,-0.2 -2,-0.5 -34,-0.2 0.344 70.7 52.8-124.1 3.4 -20.2 -25.6 8.1 44 44 A G S S+ 0 0 14 -36,-1.0 -35,-0.1 -34,-0.3 61,-0.1 0.835 112.3 34.2-102.9 -50.8 -18.2 -23.9 10.8 45 45 A R S S+ 0 0 133 -35,-0.3 -36,-0.1 -37,-0.3 219,-0.1 0.542 119.9 53.4 -88.6 -8.1 -14.8 -25.6 11.0 46 46 A V S S- 0 0 68 217,-0.0 -1,-0.0 2,-0.0 2,-0.0 -0.984 92.8-106.1-126.8 142.6 -14.7 -26.3 7.2 47 47 A P - 0 0 122 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.353 25.8-158.1 -62.4 138.8 -15.2 -23.8 4.4 48 48 A L - 0 0 24 -5,-0.2 60,-0.1 -4,-0.1 61,-0.1 -0.993 28.0-111.5-117.2 125.1 -18.5 -23.8 2.5 49 49 A P - 0 0 75 0, 0.0 2,-0.1 0, 0.0 63,-0.1 -0.188 28.2-123.6 -55.9 138.0 -18.3 -22.3 -1.1 50 50 A A - 0 0 40 1,-0.1 2,-0.2 61,-0.0 58,-0.0 -0.428 40.1 -85.3 -72.6 155.8 -20.2 -19.1 -1.6 51 51 A V - 0 0 12 -2,-0.1 2,-0.2 4,-0.1 265,-0.1 -0.464 52.2-162.2 -60.9 130.0 -22.8 -18.9 -4.4 52 52 A T > - 0 0 69 -2,-0.2 4,-2.3 22,-0.1 5,-0.1 -0.667 34.4-106.4-108.7 169.5 -21.1 -18.1 -7.7 53 53 A E H > S+ 0 0 62 169,-0.5 4,-2.5 -2,-0.2 5,-0.2 0.870 123.4 57.3 -62.4 -35.1 -22.5 -16.8 -11.0 54 54 A A H > S+ 0 0 44 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.899 106.0 50.7 -61.3 -38.8 -22.0 -20.4 -12.4 55 55 A F H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 3,-0.3 0.950 109.6 50.1 -59.0 -50.2 -24.3 -21.5 -9.5 56 56 A V H X S+ 0 0 28 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.919 108.8 51.5 -56.7 -47.9 -26.9 -19.0 -10.4 57 57 A A H < S+ 0 0 51 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.813 116.7 39.9 -57.7 -36.0 -26.9 -19.9 -14.1 58 58 A A H >< S+ 0 0 0 -4,-1.5 3,-1.2 -3,-0.3 -2,-0.2 0.906 113.4 50.4 -84.4 -44.0 -27.4 -23.6 -13.3 59 59 A A H 3< S+ 0 0 4 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.823 118.8 39.1 -64.3 -31.1 -29.9 -23.4 -10.4 60 60 A F T 3< S+ 0 0 109 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.137 79.9 144.1-108.0 16.0 -32.2 -21.1 -12.4 61 61 A H < - 0 0 36 -3,-1.2 6,-0.1 1,-0.1 -3,-0.1 -0.403 51.1-136.9 -58.8 126.0 -31.8 -22.8 -15.8 62 62 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.804 100.1 32.3 -56.6 -35.4 -35.2 -22.6 -17.6 63 63 A Q S > S- 0 0 93 1,-0.1 3,-2.2 2,-0.0 4,-0.1 -0.772 73.7-176.2-126.1 87.9 -34.9 -26.2 -18.8 64 64 A P G > S+ 0 0 58 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.733 77.1 66.0 -62.0 -28.2 -33.0 -28.1 -16.1 65 65 A E G 3 S+ 0 0 145 1,-0.3 -2,-0.0 -4,-0.1 0, 0.0 0.616 97.7 58.8 -72.0 -7.8 -32.8 -31.4 -17.9 66 66 A Q G < S+ 0 0 120 -3,-2.2 -1,-0.3 -5,-0.0 2,-0.0 0.390 73.6 130.4 -99.0 2.4 -30.6 -29.6 -20.5 67 67 A R < - 0 0 42 -3,-1.7 -9,-0.0 -4,-0.1 5,-0.0 -0.326 60.5-120.8 -54.8 130.8 -27.8 -28.6 -18.0 68 68 A S > - 0 0 66 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.206 26.4-104.0 -64.3 165.5 -24.4 -29.5 -19.3 69 69 A L H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.869 124.7 54.1 -59.4 -39.1 -22.2 -31.8 -17.2 70 70 A A H > S+ 0 0 67 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.907 107.4 50.3 -60.5 -44.8 -20.2 -28.8 -16.1 71 71 A M H > S+ 0 0 47 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.883 109.0 51.6 -58.6 -40.9 -23.4 -27.1 -14.9 72 72 A Q H >X S+ 0 0 93 -4,-2.1 4,-0.8 1,-0.2 3,-0.7 0.901 105.3 55.5 -66.0 -39.9 -24.3 -30.2 -13.0 73 73 A A H >< S+ 0 0 66 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.859 102.7 57.3 -57.2 -37.8 -20.9 -30.2 -11.4 74 74 A D H 3< S+ 0 0 72 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.773 113.6 38.9 -61.7 -29.2 -21.7 -26.6 -10.2 75 75 A L H S+ 0 0 50 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.939 113.9 51.8 -56.9 -47.7 -22.4 -29.9 -3.6 78 78 A S H > S+ 0 0 0 -4,-0.3 4,-3.1 1,-0.2 5,-0.3 0.915 107.6 51.4 -54.3 -49.9 -25.9 -28.3 -3.4 79 79 A D H X S+ 0 0 79 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.883 111.0 48.3 -55.7 -41.6 -27.6 -31.6 -4.4 80 80 A Q H X S+ 0 0 108 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.905 113.5 47.2 -67.8 -39.8 -25.7 -33.4 -1.7 81 81 A L H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.898 114.5 46.0 -66.5 -41.5 -26.7 -30.7 0.9 82 82 A V H X S+ 0 0 6 -4,-3.1 4,-2.4 1,-0.2 3,-0.3 0.901 108.8 57.4 -67.9 -40.2 -30.3 -30.7 -0.2 83 83 A G H X S+ 0 0 26 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.874 102.2 53.5 -57.6 -41.6 -30.4 -34.5 -0.1 84 84 A E H < S+ 0 0 45 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.869 110.3 49.5 -60.2 -37.4 -29.3 -34.6 3.5 85 85 A L H >< S+ 0 0 2 -4,-1.1 3,-1.4 -3,-0.3 -2,-0.2 0.900 109.4 48.8 -70.3 -46.0 -32.2 -32.4 4.3 86 86 A F H 3< S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.842 108.5 56.0 -62.5 -31.4 -34.8 -34.4 2.5 87 87 A D T 3< S+ 0 0 106 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.3 0.390 101.2 77.9 -82.9 4.2 -33.5 -37.5 4.2 88 88 A S < - 0 0 3 -3,-1.4 -84,-0.2 1,-0.1 3,-0.1 -0.810 53.3-167.5-117.3 157.5 -34.1 -35.9 7.6 89 89 A D S S+ 0 0 38 -86,-3.3 50,-1.6 1,-0.3 2,-0.4 0.741 83.8 36.6-103.4 -38.6 -37.1 -35.3 9.8 90 90 A L E -bc 4 139A 8 -87,-1.9 -85,-2.6 48,-0.2 2,-0.5 -0.968 68.0-156.5-123.2 131.1 -35.5 -33.0 12.3 91 91 A L E -bc 5 140A 2 48,-2.2 50,-3.3 -2,-0.4 2,-0.5 -0.921 7.3-167.8-106.4 124.6 -32.9 -30.3 11.5 92 92 A V E -bc 6 141A 2 -87,-3.1 -85,-3.4 -2,-0.5 2,-0.5 -0.969 4.6-173.8-111.8 121.2 -30.7 -29.1 14.3 93 93 A I E -bc 7 142A 0 48,-2.8 50,-3.3 -2,-0.5 2,-0.5 -0.966 4.9-167.4-113.0 125.2 -28.6 -26.0 13.7 94 94 A S E +bc 8 143A 1 -87,-2.5 -85,-2.6 -2,-0.5 -84,-0.2 -0.939 22.0 158.0-108.2 135.4 -26.0 -24.8 16.2 95 95 A T E - c 0 144A 2 48,-2.3 50,-1.5 -2,-0.5 2,-0.1 -0.986 36.3-131.9-156.9 140.1 -24.6 -21.3 15.7 96 96 A P E - c 0 145A 13 0, 0.0 2,-0.6 0, 0.0 50,-0.2 -0.383 35.7-112.5 -68.4 163.5 -22.9 -18.4 17.4 97 97 A M - 0 0 25 48,-1.4 2,-0.5 5,-0.1 50,-0.3 -0.948 39.0-173.0 -90.2 123.9 -24.2 -14.9 16.9 98 98 A Y B > -E 101 0B 39 3,-3.1 3,-1.8 -2,-0.6 224,-0.1 -0.970 66.9 -23.5-120.0 116.6 -21.5 -13.2 14.9 99 99 A N T 3 S- 0 0 39 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.901 125.9 -50.4 50.3 47.5 -21.9 -9.4 14.3 100 100 A F T 3 S+ 0 0 18 1,-0.3 62,-2.2 275,-0.1 -1,-0.3 0.423 132.8 54.6 76.2 0.5 -25.7 -9.5 14.8 101 101 A S B < S-E 98 0B 3 -3,-1.8 -3,-3.1 60,-0.1 -1,-0.3 -0.512 95.0 -69.0-135.9-153.7 -26.1 -12.4 12.4 102 102 A V - 0 0 0 60,-0.3 -5,-0.1 -5,-0.2 -1,-0.1 -0.659 58.3 -81.4-101.4 161.9 -24.7 -15.9 11.7 103 103 A P >> - 0 0 7 0, 0.0 4,-1.5 0, 0.0 3,-1.1 -0.283 44.3-113.7 -52.9 147.0 -21.2 -17.0 10.7 104 104 A S H 3> S+ 0 0 10 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.817 114.0 64.4 -59.8 -31.8 -20.7 -16.6 6.9 105 105 A G H 3> S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.859 102.6 47.5 -58.4 -37.8 -20.5 -20.4 6.6 106 106 A L H <> S+ 0 0 0 -3,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.903 109.5 52.2 -71.8 -41.1 -24.1 -20.9 7.7 107 107 A K H X S+ 0 0 3 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.922 109.9 51.1 -57.1 -43.6 -25.3 -18.2 5.3 108 108 A A H X S+ 0 0 2 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.893 107.9 51.2 -63.6 -40.1 -23.4 -20.1 2.6 109 109 A W H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 3,-0.4 0.951 110.7 48.9 -61.7 -45.7 -25.1 -23.4 3.6 110 110 A I H X S+ 0 0 1 -4,-2.7 4,-1.2 1,-0.2 3,-0.5 0.905 107.9 54.8 -58.4 -41.4 -28.5 -21.7 3.4 111 111 A D H < S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.816 108.3 49.8 -64.1 -28.9 -27.6 -20.2 -0.0 112 112 A Q H < S+ 0 0 8 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.748 111.4 46.9 -76.7 -28.1 -26.9 -23.8 -1.3 113 113 A I H < S+ 0 0 0 -4,-1.3 2,-1.1 -3,-0.5 -2,-0.2 0.591 86.1 84.5-101.0 -10.0 -30.1 -25.4 -0.1 114 114 A V < + 0 0 13 -4,-1.2 2,-0.5 4,-0.1 -1,-0.1 -0.817 67.1 170.2 -88.5 100.2 -32.8 -22.9 -1.2 115 115 A R >>> - 0 0 3 -2,-1.1 4,-2.4 -37,-0.0 3,-2.3 -0.958 38.0-114.0-127.2 123.9 -33.1 -24.3 -4.8 116 116 A L B 345S+f 120 0C 36 -2,-0.5 5,-0.2 1,-0.3 -2,-0.0 -0.280 102.9 6.6 -55.6 129.3 -35.6 -23.5 -7.5 117 117 A G T 345S+ 0 0 42 3,-2.6 -1,-0.3 1,-0.1 4,-0.2 0.355 129.4 62.7 81.7 -6.5 -37.8 -26.5 -8.2 118 118 A V T <45S+ 0 0 47 -3,-2.3 -2,-0.2 2,-0.5 3,-0.1 0.781 120.7 4.8-117.8 -51.9 -36.3 -28.4 -5.3 119 119 A T T <5S+ 0 0 0 -4,-2.4 15,-2.1 1,-0.3 16,-0.7 0.453 137.5 16.7-115.1 -8.0 -36.9 -26.7 -2.0 120 120 A F E < -fG 116 133C 14 -5,-1.3 -3,-2.6 13,-0.3 -2,-0.5 -0.971 64.1-173.1-153.4 158.2 -39.2 -24.0 -3.3 121 121 A D E - G 0 132C 53 11,-2.7 11,-2.8 -2,-0.3 2,-0.3 -0.862 4.6-160.5-140.0 177.3 -41.2 -23.3 -6.5 122 122 A F E - G 0 131C 70 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.993 8.2-164.8-156.8 156.5 -43.2 -20.5 -8.1 123 123 A V E - G 0 130C 99 7,-1.7 7,-3.5 -2,-0.3 2,-0.7 -0.947 29.4-114.6-134.9 161.2 -45.8 -19.6 -10.7 124 124 A L E - G 0 129C 110 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.875 24.8-172.7-100.2 115.6 -46.8 -16.2 -12.2 125 125 A D E > S- G 0 128C 113 3,-2.2 3,-1.5 -2,-0.7 -2,-0.0 -0.933 83.8 -17.1-105.2 113.3 -50.3 -15.1 -11.4 126 126 A N T 3 S- 0 0 101 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.870 131.1 -53.8 56.4 37.4 -51.1 -11.9 -13.5 127 127 A G T 3 S+ 0 0 48 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.308 113.8 117.8 86.2 -8.2 -47.3 -11.6 -14.0 128 128 A V E < -G 125 0C 73 -3,-1.5 -3,-2.2 1,-0.0 -1,-0.2 -0.829 67.6-122.9 -99.4 119.0 -46.4 -11.7 -10.3 129 129 A A E -G 124 0C 18 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.346 24.6-160.7 -57.9 127.7 -44.3 -14.6 -9.1 130 130 A Q E -G 123 0C 91 -7,-3.5 -7,-1.7 -2,-0.1 2,-0.3 -0.970 11.3-142.8-112.3 128.6 -46.1 -16.6 -6.3 131 131 A Y E -G 122 0C 106 -2,-0.5 -9,-0.3 -9,-0.2 -11,-0.0 -0.715 15.9-173.1-102.0 143.1 -43.8 -18.8 -4.2 132 132 A R E -G 121 0C 144 -11,-2.8 -11,-2.7 -2,-0.3 2,-0.1 -0.998 22.7-126.6-134.0 129.2 -44.6 -22.2 -2.7 133 133 A P E -G 120 0C 58 0, 0.0 -13,-0.3 0, 0.0 41,-0.2 -0.452 13.5-164.3 -72.5 150.3 -42.4 -24.2 -0.3 134 134 A L + 0 0 44 -15,-2.1 2,-0.4 40,-0.5 -14,-0.2 0.564 61.4 89.9-114.9 -15.2 -41.4 -27.8 -1.2 135 135 A L + 0 0 7 39,-2.1 2,-0.3 -16,-0.7 -16,-0.0 -0.689 54.0 173.7 -79.4 135.7 -40.2 -29.2 2.1 136 136 A R + 0 0 80 -2,-0.4 3,-0.1 1,-0.1 40,-0.1 -0.994 53.9 26.3-144.1 146.6 -43.0 -30.7 4.2 137 137 A G S S+ 0 0 73 -2,-0.3 2,-0.2 1,-0.3 39,-0.1 0.500 87.1 132.3 80.9 5.3 -43.0 -32.7 7.4 138 138 A K - 0 0 27 37,-0.2 40,-0.5 -48,-0.1 2,-0.3 -0.543 36.4-168.1 -91.5 156.8 -39.9 -31.1 8.7 139 139 A R E -c 90 0A 81 -50,-1.6 -48,-2.2 -2,-0.2 2,-0.4 -0.909 8.2-153.8-128.7 161.2 -39.1 -29.6 12.1 140 140 A A E -cd 91 179A 3 38,-2.2 40,-2.2 -2,-0.3 2,-0.5 -0.999 9.3-164.0-139.9 142.0 -36.1 -27.5 13.1 141 141 A L E -cd 92 180A 7 -50,-3.3 -48,-2.8 -2,-0.4 2,-0.6 -0.989 10.1-160.7-120.5 121.1 -34.2 -26.7 16.4 142 142 A I E -cd 93 181A 0 38,-3.5 40,-3.0 -2,-0.5 2,-0.6 -0.909 4.4-169.7-101.4 118.3 -31.9 -23.8 16.5 143 143 A V E +cd 94 182A 0 -50,-3.3 -48,-2.3 -2,-0.6 2,-0.3 -0.925 17.1 177.7-105.9 120.2 -29.3 -23.8 19.3 144 144 A T E -cd 95 183A 1 38,-2.8 40,-2.2 -2,-0.6 2,-0.4 -0.915 21.7-161.0-131.5 149.7 -27.5 -20.5 19.6 145 145 A S E -cd 96 184A 13 -50,-1.5 -48,-1.4 -2,-0.3 2,-0.4 -0.988 11.8-171.8-126.4 139.3 -24.9 -18.9 21.8 146 146 A R - 0 0 7 38,-2.5 41,-2.5 -2,-0.4 40,-0.3 -0.983 25.4-145.2-131.8 143.3 -24.3 -15.1 22.2 147 147 A G S S+ 0 0 15 -2,-0.4 41,-1.2 -50,-0.3 42,-0.7 0.896 85.9 45.7 -67.7 -43.4 -21.6 -13.0 23.9 148 148 A G S S- 0 0 22 38,-0.2 38,-1.6 39,-0.1 39,-0.3 -0.143 81.4-113.2 -93.9-171.1 -24.0 -10.3 24.9 149 149 A H S S+ 0 0 90 36,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.815 76.9 41.4-122.4 161.0 -27.4 -10.0 26.5 150 150 A G + 0 0 16 -2,-0.3 7,-1.7 6,-0.1 8,-0.4 0.556 66.2 118.5 86.7 11.8 -30.9 -8.9 25.5 151 151 A F + 0 0 20 -3,-0.2 10,-0.1 6,-0.2 3,-0.1 0.525 57.4 86.2 -87.1 -7.5 -31.2 -10.3 22.0 152 152 A G S > S- 0 0 15 1,-0.2 3,-2.6 2,-0.0 6,-0.2 -0.210 99.9 -54.0 -85.1 179.0 -34.2 -12.5 22.8 153 153 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.327 130.1 10.3 -56.6 125.2 -37.9 -11.7 22.8 154 154 A G T 3 S+ 0 0 75 1,-0.3 -3,-0.1 -3,-0.1 2,-0.1 0.321 98.1 138.0 87.1 -7.7 -38.5 -8.7 25.0 155 155 A G X - 0 0 23 -3,-2.6 3,-1.7 1,-0.1 -1,-0.3 -0.342 66.7-117.5 -72.9 153.6 -34.8 -8.0 25.3 156 156 A E T 3 S+ 0 0 103 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.773 116.9 39.4 -59.5 -28.3 -33.4 -4.5 25.1 157 157 A N T > S+ 0 0 61 -7,-1.7 3,-2.2 1,-0.2 4,-0.4 0.124 76.7 121.4-109.0 20.0 -31.5 -5.4 22.0 158 158 A Q G X S+ 0 0 102 -3,-1.7 3,-1.5 -8,-0.4 -1,-0.2 0.833 70.8 59.0 -51.9 -37.4 -34.1 -7.6 20.3 159 159 A A G 3 S+ 0 0 91 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.653 99.3 58.5 -71.1 -14.4 -34.2 -5.3 17.3 160 160 A M G < S+ 0 0 53 -3,-2.2 2,-1.0 215,-0.0 -1,-0.3 0.456 79.5 107.3 -89.7 -3.4 -30.5 -6.0 16.7 161 161 A N < + 0 0 8 -3,-1.5 -60,-0.1 -4,-0.4 -61,-0.0 -0.668 26.6 150.3 -83.9 102.6 -31.0 -9.7 16.4 162 162 A H + 0 0 18 -62,-2.2 -60,-0.3 -2,-1.0 -1,-0.1 -0.075 57.1 76.9-115.7 27.9 -30.7 -10.8 12.7 163 163 A A S > S+ 0 0 0 -62,-0.3 4,-2.2 3,-0.1 3,-0.2 0.766 105.2 13.9 -99.6 -84.1 -29.5 -14.3 13.5 164 164 A D H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.864 126.3 56.0 -67.5 -37.3 -32.2 -16.7 14.6 165 165 A P H > S+ 0 0 44 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.891 111.2 46.2 -57.3 -38.0 -35.1 -14.4 13.4 166 166 A W H > S+ 0 0 0 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.875 109.7 53.6 -71.8 -38.3 -33.5 -14.4 10.0 167 167 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.924 106.1 54.2 -57.6 -45.4 -33.0 -18.2 10.1 168 168 A R H X S+ 0 0 117 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.893 109.5 47.6 -52.1 -47.1 -36.7 -18.6 10.9 169 169 A T H X S+ 0 0 32 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.852 113.4 46.2 -67.1 -39.8 -37.7 -16.6 7.8 170 170 A A H X S+ 0 0 2 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.912 114.6 46.6 -73.8 -42.6 -35.4 -18.4 5.5 171 171 A L H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 3,-0.5 0.868 110.3 54.2 -64.4 -36.7 -36.4 -21.9 6.7 172 172 A G H ><5S+ 0 0 19 -4,-2.1 3,-0.9 -5,-0.3 -1,-0.2 0.861 99.4 62.4 -66.8 -35.9 -40.1 -21.0 6.5 173 173 A F H 3<5S+ 0 0 44 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.828 108.4 41.7 -58.9 -33.8 -39.7 -19.9 2.9 174 174 A I T 3<5S- 0 0 1 -4,-0.9 -39,-2.1 -3,-0.5 -40,-0.5 0.435 132.6 -90.2 -97.7 -0.0 -38.7 -23.5 2.0 175 175 A G T < 5S+ 0 0 11 -3,-0.9 2,-1.2 -4,-0.5 -3,-0.2 0.422 84.2 128.0 116.6 2.5 -41.4 -25.0 4.3 176 176 A I < + 0 0 2 -5,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.730 19.9 153.5 -90.3 93.3 -40.0 -25.5 7.7 177 177 A D + 0 0 112 -2,-1.2 2,-1.1 -39,-0.3 -1,-0.2 0.646 51.1 79.5 -95.5 -23.5 -42.6 -23.7 9.9 178 178 A E + 0 0 129 -40,-0.5 -38,-2.2 -3,-0.2 2,-0.4 -0.776 64.1 157.7 -90.2 99.0 -42.1 -25.6 13.1 179 179 A V E -d 140 0A 14 -2,-1.1 2,-0.4 -40,-0.2 -38,-0.2 -0.986 24.3-167.3-132.8 130.0 -39.0 -24.0 14.6 180 180 A T E -d 141 0A 50 -40,-2.2 -38,-3.5 -2,-0.4 2,-0.5 -0.927 7.5-156.4-116.0 136.2 -37.8 -23.9 18.1 181 181 A V E -d 142 0A 41 -2,-0.4 2,-0.5 -40,-0.2 -38,-0.2 -0.950 8.3-174.6-116.1 128.3 -35.0 -21.7 19.4 182 182 A V E -d 143 0A 9 -40,-3.0 -38,-2.8 -2,-0.5 2,-0.4 -0.984 16.3-172.0-116.8 128.4 -32.8 -22.3 22.5 183 183 A A E -d 144 0A 36 -2,-0.5 2,-0.4 -40,-0.2 -38,-0.2 -0.964 20.5-162.2-129.2 136.4 -30.4 -19.5 23.4 184 184 A A E -d 145 0A 0 -40,-2.2 -38,-2.5 -2,-0.4 2,-0.3 -0.963 22.1-170.5-110.5 131.2 -27.5 -19.0 25.8 185 185 A E + 0 0 34 -2,-0.4 -36,-0.2 -40,-0.2 11,-0.2 -0.822 54.2 43.9-121.2 158.6 -26.5 -15.4 26.5 186 186 A G >> + 0 0 0 -38,-1.6 4,-1.3 -40,-0.3 3,-0.8 0.662 58.6 144.6 86.5 20.7 -23.7 -13.6 28.3 187 187 A E T 34 S+ 0 0 54 -41,-2.5 -40,-0.2 -39,-0.3 -39,-0.1 0.840 70.8 52.3 -61.3 -34.6 -20.9 -15.8 27.0 188 188 A E T 34 S+ 0 0 102 -41,-1.2 -1,-0.2 1,-0.2 -40,-0.1 0.739 115.6 40.7 -75.7 -21.6 -18.4 -12.9 26.8 189 189 A S T <4 0 0 81 -3,-0.8 -1,-0.2 -42,-0.7 -2,-0.2 0.544 360.0 360.0-101.3 -10.3 -19.0 -11.9 30.4 190 190 A G < 0 0 62 -4,-1.3 3,-1.2 -43,-0.2 -1,-0.2 -0.039 360.0 360.0 38.2 360.0 -19.2 -15.4 31.8 191 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 192 193 A S > 0 0 90 0, 0.0 4,-2.0 0, 0.0 -7,-0.2 0.000 360.0 360.0 360.0 -64.7 -25.0 -15.9 35.2 193 194 A F H > + 0 0 21 -3,-1.2 4,-2.5 2,-0.2 5,-0.2 0.825 360.0 56.1 -67.4 -33.3 -23.8 -17.3 31.9 194 195 A E H > S+ 0 0 157 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 106.4 48.5 -62.6 -40.1 -23.7 -20.6 33.8 195 196 A D H > S+ 0 0 117 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.934 110.8 51.4 -61.9 -46.2 -27.3 -20.1 34.7 196 197 A S H X S+ 0 0 29 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.881 112.8 44.4 -61.7 -42.2 -28.1 -19.4 31.1 197 198 A C H X S+ 0 0 9 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.843 111.8 52.7 -70.7 -37.3 -26.3 -22.5 29.9 198 199 A D H X S+ 0 0 88 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.927 110.5 47.8 -62.9 -45.6 -27.9 -24.7 32.6 199 200 A E H X S+ 0 0 81 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.869 111.1 51.4 -61.4 -38.5 -31.4 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