==== 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 21-JAN-03 1NQK . COMPND 2 MOLECULE: ALKANESULFONATE MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.ZHANG,T.SKARINA,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST . 345 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 4.3 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 . 2 0.6 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 . 24 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 31.3 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 0 0 1 1 0 0 2 2 1 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 1 4 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 1 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 0 155 0, 0.0 2,-0.4 0, 0.0 333,-0.1 0.000 360.0 360.0 360.0 88.2 31.3 -7.9 10.5 2 2 A S - 0 0 51 333,-0.1 2,-0.4 331,-0.0 333,-0.2 -0.770 360.0-113.8 -91.9 139.6 29.0 -5.9 8.2 3 3 A L B -a 335 0A 4 331,-2.8 333,-3.0 -2,-0.4 2,-0.8 -0.617 17.2-138.7 -81.2 131.0 27.6 -2.7 9.8 4 4 A N E -b 310 0B 35 305,-3.1 307,-2.1 -2,-0.4 2,-0.5 -0.795 21.7-154.4 -88.0 109.3 23.9 -2.5 10.5 5 5 A M E -b 311 0B 0 -2,-0.8 40,-3.3 331,-0.4 41,-0.9 -0.756 12.9-172.9 -92.9 126.2 22.9 1.0 9.6 6 6 A F E -bc 312 46B 0 305,-2.3 307,-2.5 -2,-0.5 41,-0.3 -0.836 6.7-161.4-115.0 153.2 19.8 2.4 11.3 7 7 A W E - c 0 47B 0 39,-2.4 41,-2.7 -2,-0.3 2,-0.4 -0.513 19.7-115.1-117.2-167.7 17.9 5.7 10.7 8 8 A F E - c 0 48B 11 39,-0.3 41,-0.2 -2,-0.2 307,-0.1 -0.982 4.9-140.0-136.8 140.3 15.5 7.6 12.9 9 9 A L - 0 0 0 39,-2.4 2,-2.3 -2,-0.4 23,-0.1 -0.914 21.3-142.3-100.2 113.9 11.7 8.4 12.6 10 10 A P > + 0 0 0 0, 0.0 3,-2.0 0, 0.0 39,-0.1 -0.398 34.7 163.2 -74.6 66.0 11.4 12.1 13.9 11 11 A T T 3 S+ 0 0 5 -2,-2.3 45,-1.1 1,-0.3 3,-0.1 0.351 71.9 52.9 -70.0 5.0 8.0 11.5 15.7 12 12 A H T 3 S- 0 0 60 1,-0.4 -1,-0.3 43,-0.2 2,-0.1 0.220 127.7 -61.9-119.4 7.6 8.4 14.7 17.7 13 13 A G < - 0 0 33 -3,-2.0 -1,-0.4 13,-0.0 2,-0.3 -0.256 46.0-145.1 123.0 149.7 9.0 16.9 14.6 14 14 A D E +M 25 0C 9 11,-1.0 11,-3.0 -2,-0.1 2,-0.3 -0.886 28.0 133.3-139.8 167.2 11.5 17.4 11.8 15 15 A G E -M 24 0C 3 9,-0.3 9,-0.3 -2,-0.3 8,-0.1 -0.979 60.6 -88.2 171.5-173.7 12.9 20.4 9.9 16 16 A H S S+ 0 0 83 7,-1.3 2,-0.4 -2,-0.3 8,-0.1 0.594 102.8 53.3 -95.9 -18.4 15.9 22.2 8.4 17 17 A Y S > S- 0 0 41 5,-0.4 3,-0.6 3,-0.2 230,-0.2 -0.967 74.3-130.0-128.8 139.5 16.7 24.1 11.6 18 18 A L T 3 S+ 0 0 10 228,-2.3 231,-0.3 -2,-0.4 4,-0.1 -0.477 88.3 12.8 -78.7 149.9 17.3 23.3 15.3 19 19 A G T 3 S+ 0 0 49 -2,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.787 110.2 81.7 54.7 37.4 15.4 25.3 18.0 20 20 A T S < S- 0 0 51 -3,-0.6 -3,-0.2 2,-0.1 -1,-0.1 -0.975 70.7-138.0-164.5 152.0 12.8 27.0 15.7 21 21 A E S > S+ 0 0 155 -2,-0.3 3,-1.2 3,-0.1 2,-0.4 0.424 78.9 110.3 -90.5 -1.9 9.5 26.3 14.0 22 22 A E T 3 S+ 0 0 110 1,-0.3 -5,-0.4 -4,-0.1 -6,-0.2 -0.608 90.8 4.8 -75.5 124.9 11.1 28.1 11.1 23 23 A G T 3 S+ 0 0 32 -2,-0.4 -7,-1.3 1,-0.2 -1,-0.3 0.541 101.1 145.9 76.6 4.7 11.9 25.7 8.2 24 24 A S E < -M 15 0C 43 -3,-1.2 -9,-0.3 -9,-0.3 -1,-0.2 -0.178 41.3-139.8 -69.8 168.5 10.1 23.0 10.3 25 25 A R E -M 14 0C 51 -11,-3.0 -11,-1.0 -3,-0.1 -1,-0.0 -0.982 17.5-117.1-136.9 122.5 8.1 20.2 8.6 26 26 A P - 0 0 109 0, 0.0 2,-0.7 0, 0.0 5,-0.1 -0.331 28.0-141.2 -59.0 134.8 4.8 18.9 9.9 27 27 A V + 0 0 29 4,-0.1 2,-0.2 3,-0.1 3,-0.0 -0.869 37.6 145.7-105.4 105.6 5.1 15.2 10.8 28 28 A D > - 0 0 92 -2,-0.7 4,-2.6 1,-0.0 5,-0.2 -0.606 65.2 -83.9-122.9-174.0 2.2 13.1 9.9 29 29 A H H > S+ 0 0 81 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.941 126.3 55.4 -58.7 -47.1 1.7 9.5 8.8 30 30 A G H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 112.4 41.0 -51.3 -49.6 2.4 10.4 5.2 31 31 A Y H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 114.3 51.8 -68.4 -39.8 5.7 12.0 6.0 32 32 A L H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.892 108.6 53.1 -63.9 -36.8 6.7 9.3 8.4 33 33 A Q H X S+ 0 0 52 -4,-3.2 4,-2.6 -5,-0.2 5,-0.3 0.902 104.0 55.8 -64.1 -41.4 5.9 6.8 5.7 34 34 A Q H X S+ 0 0 105 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.911 111.0 44.1 -55.9 -47.1 8.2 8.6 3.2 35 35 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.927 113.7 49.7 -65.0 -46.6 11.1 8.3 5.6 36 36 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.874 113.3 45.3 -62.2 -41.1 10.4 4.7 6.5 37 37 A Q H X S+ 0 0 70 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.795 111.2 54.6 -73.4 -27.8 10.1 3.6 2.8 38 38 A A H X S+ 0 0 3 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.921 112.3 42.3 -69.0 -44.0 13.2 5.6 2.1 39 39 A A H X>S+ 0 0 0 -4,-2.5 5,-2.1 2,-0.2 4,-0.6 0.893 112.8 55.4 -67.5 -41.3 15.2 3.7 4.8 40 40 A D H <5S+ 0 0 13 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.892 115.0 36.9 -59.2 -43.7 13.6 0.5 3.7 41 41 A R H <5S+ 0 0 152 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.775 110.2 60.7 -83.2 -26.6 14.7 0.9 0.1 42 42 A L H <5S- 0 0 34 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.509 117.5-104.5 -79.2 -4.0 18.1 2.4 0.8 43 43 A G T <5 + 0 0 3 -4,-0.6 -38,-0.3 -3,-0.4 -3,-0.2 0.588 62.0 158.0 95.2 9.9 19.3 -0.6 2.7 44 44 A Y < - 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 -38,-0.2 -0.422 42.8-136.5 -66.9 143.5 19.0 0.6 6.4 45 45 A T S S- 0 0 19 -40,-3.3 28,-1.8 1,-0.2 2,-0.3 0.885 71.5 -48.0 -67.8 -38.6 18.7 -2.3 8.9 46 46 A G E -cd 6 73B 0 -41,-0.9 -39,-2.4 26,-0.2 2,-0.4 -0.966 53.3 -99.9-173.9-173.8 15.9 -0.4 10.7 47 47 A V E -cd 7 74B 0 26,-2.3 28,-2.5 -2,-0.3 2,-0.4 -0.993 24.0-129.9-131.9 139.2 14.7 2.8 12.3 48 48 A L E -cd 8 75B 16 -41,-2.7 -39,-2.4 -2,-0.4 28,-0.2 -0.735 19.1-158.8 -85.0 132.5 14.7 3.9 15.9 49 49 A I E - d 0 76B 0 26,-2.5 28,-1.0 -2,-0.4 9,-0.1 -0.925 20.1-133.2-116.6 105.5 11.3 5.3 16.9 50 50 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 8,-0.2 0.102 11.8-141.4 -54.6 162.4 11.6 7.5 20.0 51 51 A T + 0 0 53 6,-0.1 2,-0.2 7,-0.1 3,-0.1 -0.807 43.3 91.8-122.6 165.2 9.5 7.5 23.2 52 52 A G S > S- 0 0 19 -2,-0.3 3,-1.6 3,-0.1 58,-0.0 -0.522 81.9 -82.5 129.8 160.5 8.2 10.3 25.4 53 53 A R T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.699 126.0 62.9 -67.0 -19.9 5.2 12.5 25.9 54 54 A S T 3 S+ 0 0 90 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.434 99.3 62.9 -84.3 -4.4 6.7 14.7 23.2 55 55 A C S < S- 0 0 16 -3,-1.6 2,-0.2 -43,-0.1 -43,-0.2 -0.816 88.7-108.7-118.9 160.2 6.5 11.9 20.6 56 56 A E - 0 0 117 -45,-1.1 -45,-0.1 -2,-0.3 -2,-0.1 -0.620 64.8 -71.1 -82.8 151.0 3.5 10.1 19.0 57 57 A D > - 0 0 91 -2,-0.2 4,-1.9 1,-0.1 -1,-0.1 -0.183 42.6-150.3 -49.4 122.9 3.3 6.5 20.3 58 58 A A H > S+ 0 0 4 -8,-0.2 4,-3.0 1,-0.2 5,-0.2 0.829 90.7 57.1 -64.1 -37.4 6.2 4.5 18.7 59 59 A W H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 110.3 42.2 -63.7 -45.7 4.3 1.2 18.7 60 60 A L H > S+ 0 0 124 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 114.5 52.0 -68.8 -40.2 1.4 2.5 16.7 61 61 A V H < S+ 0 0 13 -4,-1.9 4,-0.3 2,-0.2 -2,-0.2 0.971 110.9 48.0 -58.7 -52.2 3.7 4.4 14.4 62 62 A A H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 4,-0.3 0.933 112.3 49.3 -52.7 -50.3 5.8 1.2 13.8 63 63 A A H >< S+ 0 0 35 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.872 104.0 58.4 -59.1 -41.3 2.7 -0.9 13.2 64 64 A S T 3< S+ 0 0 44 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.462 103.5 55.8 -70.1 0.2 1.3 1.6 10.6 65 65 A M T < S+ 0 0 0 -3,-1.6 3,-0.4 -4,-0.3 4,-0.4 0.469 81.8 91.5-107.7 -5.4 4.5 1.1 8.6 66 66 A I S X S+ 0 0 25 -3,-1.6 3,-1.3 -4,-0.3 -2,-0.1 0.944 87.9 42.0 -56.6 -56.2 4.2 -2.7 8.3 67 67 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.691 115.7 52.9 -67.7 -14.5 2.2 -2.9 5.0 68 68 A V T 3 S+ 0 0 35 -3,-0.4 2,-0.3 -4,-0.1 -2,-0.2 0.321 108.0 48.3-104.5 7.3 4.4 -0.1 3.4 69 69 A T < - 0 0 4 -3,-1.3 -32,-0.1 -4,-0.4 -33,-0.0 -0.939 56.2-169.0-139.3 158.7 7.9 -1.6 4.1 70 70 A Q S S+ 0 0 120 -2,-0.3 -1,-0.1 -33,-0.1 -33,-0.0 0.684 80.6 10.1-124.4 -28.8 9.2 -5.1 3.5 71 71 A R S S+ 0 0 56 269,-0.2 268,-0.2 -27,-0.1 2,-0.1 0.510 91.5 112.2-128.4 -15.8 12.6 -5.6 5.2 72 72 A L - 0 0 0 -36,-0.1 2,-0.3 266,-0.1 -26,-0.2 -0.342 56.7-140.0 -63.9 139.6 13.1 -2.6 7.5 73 73 A K E -d 46 0B 57 -28,-1.8 -26,-2.3 -29,-0.1 2,-0.6 -0.722 4.5-137.2-102.0 153.0 13.1 -3.3 11.2 74 74 A F E -de 47 103B 0 28,-2.7 30,-2.8 -2,-0.3 2,-1.0 -0.930 7.9-162.9-114.4 115.3 11.5 -1.1 13.9 75 75 A L E -de 48 104B 0 -28,-2.5 -26,-2.5 -2,-0.6 2,-0.3 -0.810 22.9-179.5 -96.3 95.5 13.3 -0.4 17.1 76 76 A V E -de 49 105B 0 28,-2.2 30,-2.3 -2,-1.0 2,-0.1 -0.762 27.9-104.0-101.9 148.0 10.6 0.8 19.4 77 77 A A E - e 0 106B 3 -28,-1.0 2,-0.5 -2,-0.3 30,-0.2 -0.352 21.3-149.6 -71.6 142.0 11.0 1.9 23.0 78 78 A L E - e 0 107B 2 28,-2.4 30,-3.1 -2,-0.1 -27,-0.1 -0.950 9.6-160.6-111.3 122.8 9.9 -0.2 26.0 79 79 A R > - 0 0 28 -2,-0.5 4,-0.9 1,-0.2 30,-0.1 -0.882 4.0-160.0-113.4 104.8 8.8 1.8 29.0 80 80 A P T >4 S+ 0 0 3 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.927 78.8 23.8 -40.7 -98.9 8.9 -0.2 32.3 81 81 A S T 34 S+ 0 0 45 1,-0.3 28,-0.0 47,-0.2 -2,-0.0 0.721 113.1 70.2 -51.3 -26.3 6.7 1.2 35.1 82 82 A V T 34 S+ 0 0 56 39,-0.1 2,-0.3 1,-0.0 -1,-0.3 0.801 109.9 24.9 -62.1 -30.6 4.5 3.1 32.7 83 83 A T S << S- 0 0 46 -3,-2.1 -1,-0.0 -4,-0.9 -5,-0.0 -0.918 88.4 -95.1-137.6 161.5 3.0 -0.2 31.5 84 84 A S > - 0 0 51 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.564 29.0-137.1 -73.3 130.3 2.4 -3.8 32.5 85 85 A P H > S+ 0 0 5 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.811 105.1 56.6 -59.3 -26.9 5.1 -6.2 31.4 86 86 A T H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.927 108.5 44.2 -69.6 -45.5 2.5 -8.7 30.4 87 87 A V H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.887 113.8 50.8 -65.7 -40.1 0.7 -6.2 28.1 88 88 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.778 109.8 50.3 -68.6 -29.6 4.0 -5.1 26.6 89 89 A A H X S+ 0 0 0 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.907 111.1 49.5 -73.7 -42.5 5.1 -8.7 25.9 90 90 A R H X S+ 0 0 119 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.847 113.7 44.8 -64.0 -36.9 1.7 -9.3 24.2 91 91 A Q H X S+ 0 0 90 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.854 111.2 54.8 -75.5 -35.6 2.1 -6.1 22.1 92 92 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.940 108.2 48.0 -61.4 -47.4 5.7 -7.1 21.4 93 93 A A H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 74,-0.2 0.903 113.5 48.6 -60.6 -41.6 4.5 -10.6 20.1 94 94 A T H X S+ 0 0 62 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.881 110.3 49.2 -68.1 -39.5 1.9 -8.9 17.9 95 95 A L H X S+ 0 0 9 -4,-2.6 4,-1.7 1,-0.2 7,-0.3 0.917 114.2 47.5 -66.2 -40.2 4.2 -6.3 16.4 96 96 A D H <>S+ 0 0 0 -4,-2.4 5,-3.8 -5,-0.2 6,-0.4 0.916 114.9 44.6 -67.0 -43.7 6.7 -9.1 15.6 97 97 A R H ><5S+ 0 0 98 -4,-2.6 3,-0.9 3,-0.2 -2,-0.2 0.942 113.9 47.9 -67.2 -47.9 4.0 -11.4 14.1 98 98 A L H 3<5S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.832 117.0 42.9 -62.1 -34.5 2.3 -8.7 12.0 99 99 A S T 3<5S- 0 0 1 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.450 115.5-116.7 -90.8 -1.7 5.6 -7.4 10.6 100 100 A N T < 5S- 0 0 35 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.949 78.9 -35.7 65.4 52.0 6.8 -10.9 10.1 101 101 A G S > - 0 0 61 1,-0.2 4,-2.8 2,-0.0 3,-1.0 -0.813 55.9-167.3-104.7 95.1 11.8 12.7 34.0 113 113 A P H 3> S+ 0 0 73 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.806 89.5 55.4 -48.6 -34.6 9.8 12.4 37.3 114 114 A Q H 3> S+ 0 0 154 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.885 110.0 44.2 -69.5 -37.1 7.3 14.9 36.0 115 115 A E H X> S+ 0 0 27 -3,-1.0 4,-1.0 2,-0.2 3,-0.5 0.970 117.2 46.8 -67.1 -50.9 6.7 12.9 32.8 116 116 A L H >X>S+ 0 0 5 -4,-2.8 5,-3.1 1,-0.3 4,-0.8 0.871 109.6 52.6 -55.2 -44.6 6.5 9.7 35.0 117 117 A A H 3<5S+ 0 0 42 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.788 104.8 57.8 -63.7 -29.0 4.2 11.4 37.5 118 118 A G H <<5S+ 0 0 43 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.775 109.1 44.7 -71.8 -26.2 2.0 12.3 34.6 119 119 A D H <<5S- 0 0 82 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.543 127.2 -97.4 -93.4 -9.1 1.8 8.6 33.7 120 120 A G T <5S+ 0 0 51 -4,-0.8 2,-0.4 1,-0.3 -3,-0.2 0.577 81.3 131.8 103.9 12.7 1.1 7.5 37.3 121 121 A V < + 0 0 12 -5,-3.1 -1,-0.3 -6,-0.1 2,-0.2 -0.850 25.9 172.7-103.6 131.7 4.7 6.5 38.2 122 122 A F + 0 0 155 -2,-0.4 2,-0.4 -5,-0.1 -5,-0.0 -0.662 24.7 138.9-137.5 77.8 6.4 7.7 41.4 123 123 A L - 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0 0 0 -2,-0.3 6,-0.2 -86,-0.2 7,-0.1 -0.965 34.8 -76.8-168.9 155.0 19.9 14.0 10.0 316 332 A Y S S+ 0 0 43 -2,-0.3 2,-0.1 -86,-0.2 -300,-0.1 -0.929 118.1 21.5-113.8 122.2 17.9 17.2 9.3 317 333 A P S > S- 0 0 8 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.607 87.9-149.3 -77.2 159.4 15.6 17.0 7.5 318 334 A H H > S+ 0 0 1 2,-0.2 4,-0.7 1,-0.2 -310,-0.1 0.731 90.5 50.6 -69.4 -23.9 15.2 13.2 8.0 319 335 A L H > S+ 0 0 29 2,-0.2 4,-1.0 3,-0.1 3,-0.4 0.964 116.5 38.7 -76.2 -53.3 13.8 12.3 4.6 320 336 A E H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.872 116.6 50.9 -62.5 -42.0 16.5 14.1 2.6 321 337 A E H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.709 98.2 64.4 -73.0 -21.7 19.4 13.1 4.9 322 338 A A H X S+ 0 0 0 -4,-0.7 4,-2.1 -3,-0.4 -1,-0.2 0.896 110.1 42.1 -65.1 -36.4 18.5 9.4 4.9 323 339 A Y H X S+ 0 0 72 -4,-1.0 4,-2.2 -3,-0.3 5,-0.3 0.891 110.7 56.1 -73.6 -42.2 19.3 9.7 1.1 324 340 A R H X S+ 0 0 89 -4,-1.9 4,-2.9 1,-0.2 5,-0.4 0.959 114.3 38.4 -53.9 -54.9 22.4 11.9 1.8 325 341 A V H X>S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-1.8 0.910 115.0 53.0 -63.1 -46.5 23.9 9.2 4.2 326 342 A G H <5S+ 0 0 12 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.805 119.1 35.8 -61.3 -29.0 22.8 6.3 2.1 327 343 A E H <5S+ 0 0 124 -4,-2.2 -2,-0.2 -3,-0.2 -1,-0.2 0.822 126.6 32.6 -95.7 -36.5 24.4 7.8 -1.0 328 344 A L H <5S+ 0 0 50 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.751 132.3 26.6 -91.5 -25.4 27.6 9.5 0.3 329 345 A L T >X5S+ 0 0 0 -4,-2.2 3,-1.8 -5,-0.4 4,-0.5 0.866 107.0 62.8-104.7 -49.9 28.3 7.1 3.1 330 346 A F G >4