==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-JUL-10 3NYW . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR L.SATYANARAYANA,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEAR . 893 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 710 79.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 147 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 90 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 371 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.5 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 1 4 0 0 0 1 0 0 6 6 3 4 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 11 8 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 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 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 A K 0 0 202 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.2 56.2 58.2 -15.7 2 4 A Q - 0 0 159 1,-0.1 2,-0.5 26,-0.0 26,-0.0 -0.283 360.0-111.9 -61.4 145.3 57.2 54.5 -16.0 3 5 A K - 0 0 78 24,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.705 41.6-175.4 -84.1 126.6 55.8 52.2 -13.3 4 6 A G - 0 0 15 -2,-0.5 25,-2.0 1,-0.2 80,-0.2 0.159 35.9 -30.9 -97.6-145.7 58.4 50.9 -10.9 5 7 A L E -ab 29 84A 2 78,-2.5 80,-2.1 23,-0.2 81,-1.7 -0.469 43.1-164.3 -78.2 144.9 58.6 48.4 -8.0 6 8 A A E -ab 30 86A 0 23,-2.0 25,-2.7 79,-0.2 2,-0.5 -0.958 9.6-156.3-131.6 109.2 55.8 47.8 -5.6 7 9 A I E -ab 31 87A 5 79,-2.8 81,-3.3 -2,-0.4 2,-0.5 -0.783 11.2-174.0 -92.1 123.9 56.7 46.0 -2.4 8 10 A I E -ab 32 88A 0 23,-2.6 25,-2.6 -2,-0.5 3,-0.5 -0.967 9.7-154.9-121.7 122.9 53.9 44.2 -0.6 9 11 A T E S+ab 33 89A 1 79,-2.6 81,-0.6 -2,-0.5 25,-0.2 -0.646 82.6 27.4 -90.6 155.0 54.3 42.5 2.8 10 12 A G S > S+ 0 0 17 23,-0.9 7,-0.5 -2,-0.2 3,-0.5 0.924 80.8 150.1 60.4 44.2 52.1 39.6 3.8 11 13 A A T 3 + 0 0 0 22,-2.3 23,-0.2 -3,-0.5 -2,-0.1 0.526 47.9 73.4 -87.9 -8.4 51.8 38.8 0.0 12 14 A S T 3 S- 0 0 23 21,-0.3 2,-0.3 31,-0.1 -1,-0.2 0.617 110.1 -4.7 -82.8 -11.0 51.4 35.1 0.1 13 15 A Q S <> S+ 0 0 68 -3,-0.5 4,-2.4 30,-0.0 3,-0.3 -0.897 102.1 23.6-159.8-172.8 47.7 35.3 1.4 14 16 A G H > S- 0 0 7 -2,-0.3 4,-1.2 1,-0.2 170,-0.1 0.010 115.5 -18.0 45.8-142.1 44.9 37.4 2.6 15 17 A I H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 135.2 57.1 -64.8 -41.6 44.7 41.1 1.7 16 18 A G H > S+ 0 0 0 74,-0.5 4,-2.8 -6,-0.4 -5,-0.2 0.915 103.4 54.0 -58.2 -44.1 48.3 41.4 0.7 17 19 A A H X S+ 0 0 17 -4,-2.4 4,-1.6 -7,-0.5 -1,-0.2 0.883 111.2 45.7 -57.8 -42.0 48.0 38.6 -1.9 18 20 A V H X S+ 0 0 44 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.895 113.2 47.6 -69.6 -44.9 45.0 40.4 -3.6 19 21 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.949 111.0 52.3 -63.3 -45.5 46.6 43.9 -3.6 20 22 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.910 109.8 50.1 -54.9 -44.8 49.9 42.5 -5.0 21 23 A A H X S+ 0 0 34 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.937 112.4 46.2 -59.8 -49.5 47.9 40.8 -7.8 22 24 A G H X S+ 0 0 6 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.906 110.6 51.7 -62.9 -41.5 46.1 43.9 -8.7 23 25 A L H X>S+ 0 0 0 -4,-3.0 5,-2.0 1,-0.2 4,-0.6 0.863 108.1 53.1 -66.0 -32.2 49.2 46.1 -8.7 24 26 A A H ><5S+ 0 0 1 -4,-2.0 3,-1.3 -5,-0.3 31,-0.4 0.936 108.6 49.7 -66.2 -43.4 50.9 43.6 -11.0 25 27 A T H 3<5S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.791 105.4 59.1 -65.0 -26.3 47.9 43.9 -13.4 26 28 A D H 3<5S- 0 0 53 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.619 127.3 -95.0 -78.0 -14.4 48.2 47.7 -13.2 27 29 A G T <<5S+ 0 0 28 -3,-1.3 -3,-0.2 -4,-0.6 -24,-0.1 0.346 81.0 128.6 119.6 -7.2 51.8 47.6 -14.5 28 30 A Y < - 0 0 21 -5,-2.0 2,-0.8 1,-0.1 -1,-0.4 -0.454 61.2-123.4 -79.5 153.8 54.0 47.6 -11.4 29 31 A R E -a 5 0A 68 -25,-2.0 -23,-2.0 -2,-0.1 2,-0.3 -0.894 38.8-146.5 -96.4 109.5 56.7 45.0 -10.9 30 32 A V E -a 6 0A 0 -2,-0.8 28,-3.1 25,-0.3 2,-0.7 -0.577 13.7-152.3 -87.4 142.6 55.7 43.6 -7.6 31 33 A V E -ac 7 58A 0 -25,-2.7 -23,-2.6 -2,-0.3 2,-0.7 -0.928 16.1-150.8-112.6 110.4 58.0 42.3 -4.8 32 34 A L E -ac 8 59A 0 26,-2.9 28,-2.2 -2,-0.7 2,-0.4 -0.709 14.7-171.3 -88.7 116.1 56.2 39.6 -2.8 33 35 A I E +ac 9 60A 1 -25,-2.6 -22,-2.3 -2,-0.7 -23,-0.9 -0.923 29.9 105.3-113.1 132.6 57.3 39.4 0.8 34 36 A A E S- c 0 61A 13 26,-1.0 28,-3.2 -2,-0.4 6,-0.0 -0.905 70.6 -99.6 179.7 176.0 56.3 36.7 3.4 35 37 A R S S+ 0 0 183 -2,-0.3 2,-0.9 26,-0.2 3,-0.1 0.840 95.5 82.7 -85.7 -35.2 58.0 33.7 5.0 36 38 A S > - 0 0 33 1,-0.2 4,-2.2 26,-0.1 5,-0.2 -0.582 50.8-176.1 -76.1 106.0 56.5 30.9 2.8 37 39 A K H > S+ 0 0 120 -2,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.908 87.4 54.1 -63.8 -40.2 58.5 30.6 -0.4 38 40 A Q H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.949 112.2 40.9 -57.8 -53.9 56.0 28.0 -1.6 39 41 A N H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.799 112.3 55.0 -68.8 -29.9 53.0 30.2 -1.1 40 42 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.944 108.5 50.4 -67.7 -43.7 54.7 33.3 -2.4 41 43 A E H X S+ 0 0 65 -4,-2.6 4,-3.7 1,-0.2 -2,-0.2 0.871 105.0 55.3 -62.2 -36.4 55.4 31.3 -5.6 42 44 A K H X S+ 0 0 102 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.933 110.7 46.2 -62.4 -40.7 51.8 30.2 -5.9 43 45 A V H X S+ 0 0 5 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.932 112.3 51.0 -65.1 -42.9 50.9 33.9 -5.8 44 46 A H H X S+ 0 0 27 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.949 113.5 44.6 -57.1 -49.1 53.7 34.5 -8.4 45 47 A D H X S+ 0 0 67 -4,-3.7 4,-1.5 1,-0.2 -2,-0.2 0.865 110.2 54.4 -65.7 -36.4 52.3 31.7 -10.6 46 48 A E H X S+ 0 0 105 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.903 107.6 50.1 -63.6 -42.0 48.7 32.8 -10.3 47 49 A I H X S+ 0 0 9 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.919 110.0 50.4 -63.3 -43.9 49.5 36.4 -11.4 48 50 A X H < S+ 0 0 51 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 111.3 48.9 -65.2 -29.7 51.4 35.1 -14.4 49 51 A R H < S+ 0 0 188 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.819 107.9 54.0 -77.7 -32.1 48.4 32.9 -15.3 50 52 A S H < S- 0 0 91 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.819 135.7 -1.3 -69.5 -31.8 46.0 35.8 -15.0 51 53 A N >< - 0 0 68 -4,-1.7 3,-1.4 -5,-0.2 -1,-0.3 -0.666 60.7-165.5-165.0 102.8 48.1 37.7 -17.4 52 54 A K T 3 S+ 0 0 158 -3,-0.3 -3,-0.1 1,-0.2 -4,-0.1 0.687 87.9 59.4 -61.8 -24.1 51.3 36.4 -19.0 53 55 A H T 3 S+ 0 0 162 2,-0.0 -1,-0.2 -5,-0.0 3,-0.1 0.432 78.8 110.9 -90.4 0.8 52.5 39.8 -20.2 54 56 A V S < S- 0 0 20 -3,-1.4 -29,-0.1 -7,-0.2 -30,-0.1 -0.325 87.2 -85.8 -70.8 155.8 52.6 41.5 -16.8 55 57 A Q - 0 0 55 -31,-0.4 -25,-0.3 -27,-0.2 -1,-0.1 -0.415 59.7-100.0 -59.8 140.2 56.0 42.4 -15.3 56 58 A E - 0 0 111 -27,-0.1 -1,-0.1 -3,-0.1 -12,-0.1 -0.522 35.8-117.4 -72.6 123.9 57.2 39.3 -13.6 57 59 A P - 0 0 1 0, 0.0 2,-0.6 0, 0.0 -26,-0.2 -0.273 20.4-132.0 -59.6 137.3 56.7 39.2 -9.8 58 60 A I E -c 31 0A 25 -28,-3.1 -26,-2.9 2,-0.0 2,-0.5 -0.832 17.4-144.9 -93.6 120.6 59.8 39.0 -7.7 59 61 A V E -c 32 0A 38 -2,-0.6 -26,-0.1 -28,-0.2 -22,-0.1 -0.760 17.4-175.0 -87.6 127.3 59.4 36.4 -5.0 60 62 A L E -c 33 0A 8 -28,-2.2 -26,-1.0 -2,-0.5 2,-0.7 -0.741 13.1-156.2-130.0 87.7 61.2 37.4 -1.8 61 63 A P E +c 34 0A 52 0, 0.0 2,-0.3 0, 0.0 -26,-0.2 -0.450 38.5 153.5 -62.1 103.1 61.2 34.6 1.0 62 64 A L - 0 0 6 -28,-3.2 2,-0.8 -2,-0.7 -26,-0.1 -0.995 51.4-149.5-146.1 144.1 61.6 36.8 4.1 63 65 A D > - 0 0 60 -2,-0.3 3,-2.4 -28,-0.1 7,-0.2 -0.934 23.3-155.7-103.1 103.7 61.0 36.9 7.8 64 66 A I T 3 S+ 0 0 29 -2,-0.8 56,-0.2 1,-0.3 55,-0.1 0.474 86.3 76.5 -65.3 1.4 60.6 40.7 8.2 65 67 A T T 3 S+ 0 0 47 1,-0.2 2,-1.3 54,-0.1 -1,-0.3 0.597 78.3 77.6 -83.0 -12.7 61.6 40.3 11.8 66 68 A D X> + 0 0 77 -3,-2.4 4,-2.2 1,-0.2 3,-0.8 -0.579 67.6 177.3 -94.3 68.3 65.1 39.9 10.5 67 69 A C H 3> S+ 0 0 18 -2,-1.3 4,-2.3 1,-0.3 -1,-0.2 0.784 74.0 52.4 -42.2 -41.2 65.4 43.6 9.9 68 70 A T H 3> S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.906 110.8 45.3 -68.0 -42.2 69.0 43.3 8.7 69 71 A K H <> S+ 0 0 90 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.830 112.7 53.0 -70.2 -30.6 68.3 40.6 6.1 70 72 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.941 108.4 48.8 -68.4 -47.2 65.2 42.6 5.0 71 73 A D H X S+ 0 0 42 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.939 112.8 48.7 -56.9 -49.9 67.3 45.8 4.5 72 74 A T H X S+ 0 0 67 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.939 114.3 43.4 -57.4 -51.9 69.9 43.9 2.5 73 75 A E H X S+ 0 0 60 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.947 115.2 48.6 -61.1 -51.4 67.5 42.1 0.2 74 76 A I H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.932 111.6 49.0 -56.9 -48.7 65.3 45.2 -0.5 75 77 A K H X S+ 0 0 64 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.869 108.7 53.5 -61.7 -35.4 68.3 47.4 -1.2 76 78 A D H X S+ 0 0 86 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.905 108.8 49.5 -65.2 -39.9 69.7 44.9 -3.7 77 79 A I H X S+ 0 0 15 -4,-2.1 4,-3.8 2,-0.2 5,-0.3 0.883 110.1 51.0 -66.3 -37.4 66.4 44.8 -5.5 78 80 A H H X S+ 0 0 38 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.923 111.7 46.9 -65.0 -42.9 66.4 48.6 -5.7 79 81 A Q H < S+ 0 0 157 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.921 119.2 43.3 -62.9 -40.2 69.9 48.5 -7.1 80 82 A K H < S+ 0 0 135 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.911 128.7 20.4 -73.1 -46.1 68.7 45.8 -9.5 81 83 A Y H < S- 0 0 86 -4,-3.8 2,-0.2 1,-0.3 -3,-0.2 0.474 96.6-132.6-109.7 -1.7 65.4 47.1 -10.7 82 84 A G < + 0 0 30 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 -0.544 60.5 31.5 95.3-157.8 65.3 50.8 -10.0 83 85 A A - 0 0 47 -2,-0.2 -78,-2.5 1,-0.1 2,-0.7 -0.043 58.6-142.3 -49.2 134.7 62.7 53.2 -8.4 84 86 A V E +b 5 0A 1 -80,-0.2 -78,-0.2 1,-0.2 -1,-0.1 -0.909 23.6 174.1-101.0 110.4 60.5 51.9 -5.6 85 87 A D E + 0 0 20 -80,-2.1 50,-1.7 -2,-0.7 2,-0.3 0.817 58.8 23.5 -86.1 -34.7 57.1 53.5 -6.2 86 88 A I E -bd 6 135A 0 -81,-1.7 -79,-2.8 48,-0.2 2,-0.4 -0.986 47.4-169.1-142.1 146.9 55.0 51.8 -3.6 87 89 A L E -bd 7 136A 0 48,-2.2 50,-3.1 -2,-0.3 2,-0.5 -0.998 11.7-169.8-130.2 124.4 55.2 50.0 -0.3 88 90 A V E -bd 8 137A 0 -81,-3.3 -79,-2.6 -2,-0.4 2,-1.0 -0.974 8.6-157.9-117.1 118.7 52.1 48.2 1.0 89 91 A N E +bd 9 138A 5 48,-3.2 50,-2.7 -2,-0.5 -79,-0.1 -0.833 37.5 141.8 -96.4 99.5 52.3 46.9 4.6 90 92 A A + 0 0 12 -2,-1.0 -74,-0.5 -81,-0.6 -75,-0.2 0.188 16.7 138.7-123.6 11.9 49.7 44.2 4.6 91 93 A A - 0 0 45 1,-0.1 -81,-0.1 -76,-0.1 48,-0.1 -0.400 61.0-105.6 -59.8 133.7 51.4 41.6 6.9 92 94 A A - 0 0 74 1,-0.1 2,-0.6 -2,-0.1 -1,-0.1 -0.050 35.7 -94.8 -57.7 164.1 48.8 40.2 9.2 93 95 A X - 0 0 46 -3,-0.1 2,-1.3 2,-0.1 -1,-0.1 -0.748 29.0-145.3 -85.9 115.8 48.6 41.1 12.9 94 96 A F + 0 0 75 -2,-0.6 2,-0.4 15,-0.2 19,-0.1 -0.702 30.0 171.1 -81.5 97.7 50.5 38.5 15.0 95 97 A X + 0 0 55 -2,-1.3 2,-0.2 1,-0.1 -1,-0.1 -0.494 42.7 46.8-115.1 67.0 48.3 38.7 18.0 96 98 A D - 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0 0 56 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.898 35.2-158.5 60.3 47.6 36.6 32.0 11.9 191 199 A T < - 0 0 23 -5,-2.0 -1,-0.1 1,-0.1 4,-0.1 -0.263 13.3-148.4 -56.8 137.5 34.6 35.1 10.8 192 200 A P + 0 0 106 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.507 70.0 93.7 -86.7 -1.4 30.9 34.8 11.8 193 201 A F S S- 0 0 39 1,-0.1 2,-0.1 2,-0.1 -2,-0.0 -0.578 81.0-110.2 -95.6 153.5 29.9 36.8 8.7 194 202 A K >> - 0 0 125 -2,-0.2 4,-1.0 1,-0.1 3,-0.8 -0.415 38.3-109.3 -71.2 154.4 28.9 35.7 5.2 195 203 A D G >4 S+ 0 0 69 1,-0.3 3,-1.0 2,-0.2 -13,-0.1 0.921 118.6 47.2 -52.6 -50.3 31.5 36.5 2.6 196 204 A E G 34 S+ 0 0 118 1,-0.2 -1,-0.3 4,-0.0 476,-0.3 0.701 101.6 66.0 -67.5 -19.8 29.4 39.3 1.0 197 205 A E G <4 S+ 0 0 34 -3,-0.8 32,-0.4 2,-0.1 -1,-0.2 0.804 95.6 72.2 -72.0 -27.2 28.6 40.8 4.3 198 206 A X S << S- 0 0 0 -4,-1.0 2,-0.3 -3,-1.0 474,-0.2 -0.222 99.2 -85.5 -84.2 173.5 32.2 41.7 4.8 199 207 A I B -g 181 0B 0 -19,-2.4 -17,-3.6 26,-0.1 -1,-0.1 -0.596 50.7-126.1 -73.3 135.4 34.4 44.4 3.2 200 208 A Q >> - 0 0 42 -2,-0.3 3,-1.1 -19,-0.2 4,-0.8 -0.605 8.4-125.1 -88.2 150.9 35.8 42.9 -0.0 201 209 A P H >> S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 3,-0.9 0.892 110.0 62.7 -57.2 -42.7 39.6 42.8 -0.7 202 210 A D H 3> S+ 0 0 82 1,-0.3 4,-3.9 2,-0.2 5,-0.3 0.766 93.0 63.2 -55.2 -29.9 39.0 44.6 -4.0 203 211 A D H <> S+ 0 0 5 -3,-1.1 4,-1.9 2,-0.2 -1,-0.3 0.910 106.9 42.8 -63.7 -41.2 37.7 47.6 -2.1 204 212 A L H < S+ 0 0 18 -4,-1.9 3,-0.7 1,-0.2 4,-0.5 0.924 110.3 49.2 -65.0 -43.0 42.2 55.7 -6.5 211 219 A L H >< S+ 0 0 3 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.902 106.5 56.1 -62.0 -42.2 44.8 57.2 -4.1 212 220 A L H 3< S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.716 109.0 48.2 -63.7 -21.6 47.6 56.5 -6.6 213 221 A N T << S+ 0 0 130 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.455 86.7 107.0 -99.9 -1.8 45.7 58.5 -9.3 214 222 A L S < S- 0 0 10 -3,-1.3 -3,-0.0 -4,-0.5 2,-0.0 -0.266 89.3 -80.1 -67.7 163.9 44.9 61.6 -7.1 215 223 A S > - 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