==== 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 13-AUG-10 3OEW . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR V.MOLLE,G.GULTEN,C.VILCHEZE,R.VEYRON-CHURLET,I.ZANELLA-CLEON . 267 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 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 . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 0 1 1 0 1 3 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G > 0 0 60 0, 0.0 3,-1.3 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 148.7 -7.9 -56.3 22.3 2 4 A L T 3 + 0 0 66 1,-0.3 244,-0.3 243,-0.0 29,-0.1 0.853 360.0 34.9 -60.9 -36.3 -4.4 -55.1 23.4 3 5 A L T > S+ 0 0 0 27,-1.7 3,-2.2 24,-0.2 -1,-0.3 -0.027 83.3 161.6-110.5 28.6 -6.0 -52.0 24.9 4 6 A D T < S+ 0 0 110 -3,-1.3 28,-0.2 1,-0.3 27,-0.1 -0.304 72.5 4.6 -55.6 117.2 -9.3 -53.6 26.1 5 7 A G T 3 S+ 0 0 48 26,-1.2 2,-0.3 1,-0.3 -1,-0.3 0.341 96.2 130.8 96.5 -6.4 -10.9 -51.3 28.7 6 8 A K < - 0 0 28 -3,-2.2 27,-2.9 25,-0.1 2,-0.5 -0.587 48.6-144.5 -89.4 142.0 -8.5 -48.4 28.5 7 9 A R E -a 33 0A 59 -2,-0.3 80,-3.1 78,-0.2 81,-1.5 -0.920 26.1-176.4-100.8 129.5 -9.5 -44.7 28.1 8 10 A I E -ab 34 88A 1 25,-2.5 27,-2.0 -2,-0.5 2,-0.4 -0.988 22.3-148.5-138.6 126.6 -7.0 -42.8 25.9 9 11 A L E -ab 35 89A 0 79,-2.3 81,-2.5 -2,-0.4 2,-0.5 -0.791 19.0-168.6 -88.8 132.6 -6.6 -39.2 24.9 10 12 A V E -ab 36 90A 0 25,-2.2 27,-1.7 -2,-0.4 3,-0.3 -0.961 4.7-176.1-130.2 115.7 -5.1 -38.7 21.4 11 13 A S + 0 0 0 79,-2.4 27,-0.1 -2,-0.5 25,-0.0 -0.478 52.7 53.7 -97.2 171.5 -4.0 -35.3 20.1 12 14 A G + 0 0 24 25,-0.3 2,-0.5 1,-0.3 8,-0.4 0.598 56.2 144.1 85.5 12.8 -2.6 -34.3 16.8 13 15 A I + 0 0 5 24,-0.7 26,-0.4 -3,-0.3 -1,-0.3 -0.760 5.8 142.6 -80.8 127.3 -5.1 -35.5 14.2 14 16 A I + 0 0 67 1,-0.6 2,-0.3 -2,-0.5 -1,-0.2 0.484 69.4 6.8-132.3 -28.6 -5.3 -33.0 11.3 15 17 A T S > S- 0 0 26 33,-0.1 3,-1.4 34,-0.0 -1,-0.6 -0.917 80.5 -97.9-144.3 174.8 -5.8 -35.2 8.3 16 18 A D T 3 S+ 0 0 98 -2,-0.3 -3,-0.0 1,-0.3 178,-0.0 0.551 122.8 55.8 -73.8 -9.0 -6.3 -38.9 7.5 17 19 A S T 3 S+ 0 0 35 4,-0.1 -1,-0.3 5,-0.0 2,-0.0 0.411 79.9 119.4-100.7 2.0 -2.6 -39.2 6.8 18 20 A S S <> S- 0 0 12 -3,-1.4 4,-1.4 1,-0.1 3,-0.2 -0.374 72.2-128.7 -57.9 140.9 -1.6 -37.8 10.3 19 21 A I H > S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.908 111.1 57.3 -57.3 -40.2 0.3 -40.3 12.4 20 22 A A H > S+ 0 0 0 -8,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.839 98.4 59.5 -62.3 -34.5 -2.2 -39.7 15.2 21 23 A F H > S+ 0 0 20 -6,-0.3 4,-2.2 -9,-0.3 -1,-0.2 0.947 109.6 42.7 -56.1 -47.6 -5.1 -40.7 12.9 22 24 A H H X S+ 0 0 40 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.815 111.4 54.8 -70.5 -31.2 -3.5 -44.1 12.5 23 25 A I H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.939 110.1 47.0 -64.0 -47.5 -2.7 -44.3 16.2 24 26 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.905 111.0 51.6 -61.2 -42.9 -6.3 -43.7 17.0 25 27 A R H X S+ 0 0 54 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.942 112.4 44.3 -61.0 -49.3 -7.6 -46.3 14.5 26 28 A V H X S+ 0 0 10 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.873 112.1 53.9 -64.6 -37.6 -5.3 -49.1 15.8 27 29 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 3,-0.7 0.958 111.1 44.7 -61.3 -52.4 -6.2 -48.2 19.4 28 30 A Q H ><5S+ 0 0 21 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.910 109.1 56.5 -57.0 -43.3 -9.9 -48.5 18.7 29 31 A E H 3<5S+ 0 0 107 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.804 108.1 51.0 -58.0 -26.2 -9.3 -51.7 16.8 30 32 A Q T <<5S- 0 0 65 -4,-1.1 -27,-1.7 -3,-0.7 -1,-0.3 0.257 128.3 -92.7-101.4 12.0 -7.7 -52.9 20.0 31 33 A G T < 5S+ 0 0 27 -3,-1.9 -26,-1.2 1,-0.3 -3,-0.2 0.436 74.1 144.0 102.8 2.0 -10.5 -52.0 22.3 32 34 A A < - 0 0 9 -5,-2.2 2,-0.5 -28,-0.2 -1,-0.3 -0.433 44.4-137.9 -77.7 148.2 -9.6 -48.5 23.5 33 35 A Q E -a 7 0A 105 -27,-2.9 -25,-2.5 -30,-0.2 2,-0.3 -0.934 31.8-151.2-102.5 124.8 -12.2 -45.9 24.2 34 36 A L E -a 8 0A 9 -2,-0.5 2,-0.4 21,-0.3 -25,-0.2 -0.707 27.4-171.8-108.2 149.9 -10.9 -42.6 22.9 35 37 A V E -a 9 0A 4 -27,-2.0 -25,-2.2 -2,-0.3 2,-0.3 -0.990 25.7-154.2-123.7 137.0 -11.2 -38.9 23.5 36 38 A L E -ac 10 58A 2 21,-3.1 23,-3.4 -2,-0.4 2,-0.4 -0.797 9.7-158.3-115.0 152.9 -9.6 -36.7 20.8 37 39 A T E - c 0 59A 3 -27,-1.7 -24,-0.7 -2,-0.3 -25,-0.3 -0.976 13.1-174.7-127.8 147.2 -8.1 -33.2 20.8 38 40 A G E - c 0 60A 3 21,-2.1 23,-2.7 -2,-0.4 2,-0.5 -0.956 18.4-128.0-141.2 155.3 -7.7 -31.0 17.7 39 41 A F - 0 0 108 -26,-0.4 2,-2.7 -2,-0.3 23,-0.1 -0.926 66.0 -42.7-113.6 123.4 -6.2 -27.6 16.9 40 42 A D S S+ 0 0 111 -2,-0.5 2,-1.2 1,-0.2 3,-0.2 -0.256 120.8 67.9 73.0 -59.7 -7.8 -24.7 15.1 41 43 A R > + 0 0 157 -2,-2.7 4,-2.5 1,-0.2 5,-0.2 -0.474 56.5 154.8 -96.1 65.4 -9.7 -26.5 12.3 42 44 A L H > + 0 0 40 -2,-1.2 4,-2.7 2,-0.2 5,-0.2 0.828 69.1 53.3 -68.1 -34.2 -12.3 -28.4 14.4 43 45 A R H > S+ 0 0 226 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.959 113.2 45.8 -63.6 -48.1 -15.0 -28.8 11.7 44 46 A L H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.905 113.2 49.6 -56.7 -45.4 -12.4 -30.3 9.4 45 47 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.916 108.9 51.1 -66.9 -41.2 -11.0 -32.6 12.2 46 48 A Q H X S+ 0 0 78 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.941 110.9 49.7 -58.8 -44.7 -14.5 -33.8 13.2 47 49 A R H < S+ 0 0 139 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.891 112.7 47.4 -61.9 -39.4 -15.2 -34.7 9.5 48 50 A I H >< S+ 0 0 15 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.903 111.4 50.0 -66.9 -42.4 -11.9 -36.6 9.3 49 51 A T H >< S+ 0 0 7 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.662 87.5 82.0 -78.7 -12.6 -12.4 -38.5 12.5 50 52 A D T 3< S+ 0 0 102 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.779 86.4 63.3 -54.8 -25.3 -15.9 -39.6 11.5 51 53 A R T < S+ 0 0 173 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.639 75.1 109.5 -79.2 -15.9 -14.0 -42.3 9.6 52 54 A L S < S- 0 0 8 -3,-1.8 -27,-0.1 1,-0.1 4,-0.1 -0.315 85.2-113.0 -56.8 146.4 -12.5 -43.9 12.7 53 55 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.652 99.4 31.0 -61.7 -15.9 -14.1 -47.3 13.4 54 56 A A S S- 0 0 32 2,-0.0 2,-0.2 0, 0.0 -2,-0.1 -0.924 92.3 -99.7-135.8 163.7 -15.8 -45.9 16.6 55 57 A K - 0 0 180 -2,-0.3 -21,-0.3 -4,-0.1 -5,-0.1 -0.493 37.9-178.1 -81.4 152.5 -17.1 -42.6 17.7 56 58 A A - 0 0 15 -2,-0.2 -21,-0.2 -23,-0.1 -4,-0.1 -0.944 30.0-111.0-154.9 131.8 -15.0 -40.3 19.9 57 59 A P - 0 0 58 0, 0.0 -21,-3.1 0, 0.0 2,-0.5 -0.346 31.2-143.7 -61.0 139.7 -15.6 -36.9 21.5 58 60 A L E -c 36 0A 32 -23,-0.2 2,-0.3 -21,-0.0 -21,-0.2 -0.936 16.3-171.5-111.7 123.6 -13.4 -34.2 20.0 59 61 A L E -c 37 0A 25 -23,-3.4 -21,-2.1 -2,-0.5 2,-0.4 -0.856 24.2-118.1-111.5 148.5 -12.1 -31.4 22.3 60 62 A E E +c 38 0A 92 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.690 36.2 170.2 -85.9 134.2 -10.3 -28.3 21.2 61 63 A L + 0 0 5 -23,-2.7 2,-0.6 -2,-0.4 -24,-0.0 -0.850 18.7 179.4-149.9 111.1 -6.7 -27.8 22.4 62 64 A D > - 0 0 38 -2,-0.3 3,-2.4 3,-0.1 6,-0.2 -0.957 22.7-150.9-101.4 114.9 -4.2 -25.2 21.2 63 65 A V T 3 S+ 0 0 6 -2,-0.6 -1,-0.1 1,-0.3 64,-0.1 0.595 94.3 60.8 -72.5 -5.7 -1.2 -26.0 23.3 64 66 A Q T 3 S+ 0 0 70 1,-0.1 2,-0.7 5,-0.0 -1,-0.3 0.416 87.9 90.2 -91.9 0.3 -0.1 -22.4 23.3 65 67 A N <> - 0 0 44 -3,-2.4 4,-1.9 1,-0.1 3,-0.3 -0.851 59.3-164.9-103.3 109.3 -3.3 -21.5 25.0 66 68 A E H > S+ 0 0 114 -2,-0.7 4,-2.4 1,-0.2 -1,-0.1 0.798 90.1 54.9 -64.1 -27.3 -3.1 -21.4 28.8 67 69 A E H > S+ 0 0 147 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.851 106.0 50.7 -73.9 -36.9 -7.0 -21.4 29.2 68 70 A H H > S+ 0 0 32 -3,-0.3 4,-1.1 -6,-0.2 -2,-0.2 0.900 114.9 44.5 -63.4 -42.8 -7.4 -24.5 27.0 69 71 A L H X S+ 0 0 13 -4,-1.9 4,-0.6 -7,-0.2 -2,-0.2 0.906 111.3 52.8 -68.9 -42.6 -4.8 -26.3 29.2 70 72 A A H < S+ 0 0 89 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.873 119.4 34.9 -59.2 -38.3 -6.3 -25.0 32.4 71 73 A S H X S+ 0 0 52 -4,-1.8 4,-2.2 1,-0.1 3,-0.4 0.584 93.0 95.0 -93.8 -11.7 -9.7 -26.3 31.5 72 74 A L H X S+ 0 0 0 -4,-1.1 4,-2.0 1,-0.2 5,-0.2 0.871 82.8 48.1 -51.1 -53.1 -8.6 -29.4 29.6 73 75 A A H X S+ 0 0 22 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.852 111.6 51.9 -60.7 -37.2 -8.9 -32.0 32.5 74 76 A G H > S+ 0 0 50 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.938 110.4 47.9 -62.0 -46.8 -12.4 -30.7 33.3 75 77 A R H X S+ 0 0 55 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.816 111.2 51.0 -65.7 -30.8 -13.5 -31.1 29.7 76 78 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.853 108.0 51.7 -75.1 -36.1 -12.0 -34.6 29.5 77 79 A T H X S+ 0 0 38 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.922 109.3 51.3 -65.7 -42.9 -13.8 -35.7 32.7 78 80 A E H < S+ 0 0 165 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.948 111.5 48.0 -52.9 -51.5 -17.1 -34.4 31.2 79 81 A A H < S+ 0 0 40 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.791 121.6 33.1 -64.4 -30.8 -16.4 -36.4 28.0 80 82 A I H < S- 0 0 24 -4,-1.8 -1,-0.2 4,-0.1 -2,-0.2 0.520 119.6 -98.4-107.7 -6.7 -15.6 -39.7 29.8 81 83 A G >< - 0 0 28 -4,-1.9 3,-1.8 -3,-0.2 -3,-0.2 0.514 40.7 -76.0 96.3 124.8 -17.8 -39.4 32.8 82 84 A A T 3 S+ 0 0 92 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.083 119.1 32.5 -48.7 143.9 -17.2 -38.3 36.4 83 85 A G T 3 S+ 0 0 83 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.353 99.6 107.1 84.0 -6.9 -15.4 -40.9 38.4 84 86 A N < - 0 0 55 -3,-1.8 -1,-0.3 -7,-0.2 2,-0.3 -0.836 50.2-165.8-104.4 145.4 -13.5 -42.1 35.3 85 87 A K - 0 0 86 -2,-0.4 -78,-0.2 -3,-0.1 51,-0.2 -0.884 24.4-100.7-126.5 159.2 -9.9 -41.5 34.6 86 88 A L E - d 0 136A 0 49,-2.6 51,-2.4 -2,-0.3 -78,-0.2 -0.479 18.7-170.2 -72.0 144.6 -7.5 -41.8 31.6 87 89 A D E S+ 0 0 25 -80,-3.1 54,-1.5 1,-0.2 2,-0.3 0.493 73.1 25.8-103.9 -12.3 -5.2 -44.7 31.2 88 90 A G E -bd 8 141A 1 -81,-1.5 -79,-2.3 52,-0.2 2,-0.4 -0.999 53.9-165.7-155.8 148.9 -3.3 -43.2 28.3 89 91 A V E -bd 9 142A 2 52,-2.1 54,-2.7 -2,-0.3 2,-0.6 -0.991 8.7-160.8-138.5 129.4 -2.2 -40.0 26.6 90 92 A V E -bd 10 143A 0 -81,-2.5 -79,-2.4 -2,-0.4 2,-0.7 -0.942 0.6-166.0-116.3 116.7 -0.8 -39.5 23.1 91 93 A H E + d 0 144A 1 52,-3.5 54,-1.0 -2,-0.6 -79,-0.1 -0.904 22.0 157.2 -98.4 113.4 1.1 -36.4 22.3 92 94 A S + 0 0 19 -2,-0.7 2,-0.4 52,-0.2 -72,-0.2 -0.456 30.7 127.0-133.7 56.5 1.5 -36.2 18.5 93 95 A I + 0 0 30 28,-0.1 2,-0.3 52,-0.1 52,-0.1 -0.945 23.0 151.1-126.4 134.0 2.0 -32.5 18.0 94 96 A G + 0 0 48 -2,-0.4 2,-0.3 -82,-0.0 24,-0.1 -0.974 6.3 160.9-163.5 147.9 4.7 -30.7 16.2 95 97 A F + 0 0 90 22,-0.4 26,-0.4 -2,-0.3 25,-0.1 -0.930 9.5 179.2-167.1 142.0 5.4 -27.5 14.4 96 98 A M - 0 0 15 -2,-0.3 18,-0.1 24,-0.1 63,-0.1 -0.960 37.3-112.3-144.1 130.0 8.3 -25.3 13.2 97 99 A P > - 0 0 16 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.242 35.6-108.6 -54.8 151.6 7.9 -22.1 11.2 98 100 A Q G > S+ 0 0 147 1,-0.3 3,-1.6 2,-0.2 6,-0.3 0.756 116.1 67.1 -59.2 -29.0 9.2 -22.3 7.7 99 101 A T G 3 S+ 0 0 45 1,-0.3 -1,-0.3 4,-0.1 9,-0.1 0.674 97.4 55.3 -64.9 -17.8 12.1 -20.0 8.6 100 102 A G G < S+ 0 0 0 -3,-2.4 58,-2.3 13,-0.1 59,-0.6 0.383 111.1 45.9 -95.5 4.1 13.5 -22.8 10.9 101 103 A M S X S+ 0 0 29 -3,-1.6 3,-0.8 56,-0.2 55,-0.2 -0.933 90.9 14.0-140.7 162.7 13.5 -25.4 8.2 102 104 A G T 3 S- 0 0 6 53,-3.0 53,-0.3 -2,-0.3 104,-0.2 -0.395 113.5 -17.7 80.9-148.7 14.5 -26.1 4.6 103 105 A I T 3 S+ 0 0 90 102,-1.9 -1,-0.2 -2,-0.1 103,-0.1 0.653 101.3 108.1 -78.5 -14.9 16.8 -24.0 2.4 104 106 A N S < S- 0 0 53 -3,-0.8 5,-0.1 -6,-0.3 51,-0.1 -0.490 89.5-101.3 -54.0 121.3 16.4 -21.0 4.7 105 107 A P > - 0 0 68 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.192 20.6-123.4 -52.1 139.3 19.9 -20.9 6.3 106 108 A F G > S+ 0 0 84 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.881 112.2 54.3 -46.4 -44.7 20.1 -22.3 9.8 107 109 A F G 3 S+ 0 0 183 1,-0.2 -1,-0.3 3,-0.0 -7,-0.0 0.597 99.3 63.4 -69.8 -14.6 21.5 -19.0 11.0 108 110 A D G < + 0 0 98 -3,-1.9 -1,-0.2 -9,-0.1 -2,-0.2 0.500 69.2 110.5 -95.0 -6.9 18.6 -16.9 9.6 109 111 A A < - 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0 0 6 -4,-2.3 3,-2.1 -5,-0.2 37,-0.2 -0.459 68.8-147.6 -61.8 114.4 16.9 -50.6 7.8 225 227 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 0.770 102.4 34.1 -58.1 -23.4 17.6 -54.4 8.2 226 228 A I T 3 S- 0 0 151 34,-1.3 35,-0.1 1,-0.3 -2,-0.1 0.245 119.7-113.3-109.7 12.9 13.8 -55.0 7.7 227 229 A G < - 0 0 23 -3,-2.1 2,-0.4 33,-0.3 -1,-0.3 0.084 21.6-111.7 79.2 165.3 13.2 -52.1 5.3 228 230 A W - 0 0 28 -4,-0.1 2,-0.7 -10,-0.1 -7,-0.1 -0.982 15.4-160.9-139.2 127.4 11.2 -48.9 5.8 229 231 A N > - 0 0 92 -2,-0.4 3,-2.0 3,-0.2 -39,-0.1 -0.874 2.1-170.4-110.6 98.7 8.0 -48.0 4.1 230 232 A M T 3 S+ 0 0 45 -2,-0.7 -37,-3.2 1,-0.3 -1,-0.1 0.618 85.1 60.2 -62.0 -15.9 7.5 -44.2 4.4 231 233 A K T 3 S+ 0 0 146 -39,-0.2 2,-0.6 1,-0.1 -1,-0.3 0.533 94.1 72.6 -90.0 -8.6 3.9 -44.6 3.0 232 234 A D < + 0 0 61 -3,-2.0 4,-0.3 1,-0.1 -3,-0.2 -0.860 46.8 172.5-115.4 102.9 2.8 -46.9 5.8 233 235 A A > + 0 0 6 -2,-0.6 4,-2.0 1,-0.2 3,-0.5 0.516 60.3 94.2 -77.0 -5.4 2.3 -45.3 9.3 234 236 A T H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.882 79.0 52.7 -60.1 -45.3 0.8 -48.6 10.7 235 237 A P H > S+ 0 0 56 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.839 111.8 48.9 -62.2 -31.2 4.0 -50.1 12.2 236 238 A V H > S+ 0 0 0 -3,-0.5 4,-1.7 -4,-0.3 -2,-0.2 0.886 109.4 51.6 -68.7 -41.8 4.5 -46.8 14.1 237 239 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.879 108.5 51.4 -64.5 -38.7 0.9 -46.8 15.3 238 240 A K H X S+ 0 0 131 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.885 106.8 53.7 -64.9 -40.1 1.3 -50.3 16.7 239 241 A T H X S+ 0 0 35 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.875 107.0 50.9 -63.2 -40.9 4.4 -49.4 18.6 240 242 A V H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.867 110.4 50.5 -61.8 -38.4 2.6 -46.5 20.3 241 243 A C H X S+ 0 0 1 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.882 104.3 57.7 -70.0 -39.1 -0.1 -48.9 21.3 242 244 A A H >< S+ 0 0 33 -4,-2.3 3,-0.7 1,-0.2 5,-0.5 0.939 109.1 45.7 -52.5 -48.8 2.5 -51.3 22.7 243 245 A L H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.749 110.5 53.7 -66.9 -25.6 3.6 -48.5 25.0 244 246 A L H 3< S+ 0 0 3 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.658 101.6 77.4 -79.9 -17.3 0.0 -47.7 25.9 245 247 A S S << S- 0 0 1 -4,-1.3 3,-0.4 -3,-0.7 -242,-0.1 -0.077 96.3-104.9 -83.4-174.7 -0.5 -51.3 26.9 246 248 A D S S+ 0 0 91 -244,-0.3 -3,-0.1 1,-0.2 -1,-0.1 0.210 99.2 91.4 -91.7 11.1 0.5 -53.2 30.1 247 249 A W S S+ 0 0 194 -5,-0.5 -1,-0.2 1,-0.2 -4,-0.1 0.517 85.6 42.8 -93.9 -3.1 3.3 -55.0 28.1 248 250 A L > + 0 0 55 -3,-0.4 3,-1.2 -6,-0.3 -1,-0.2 -0.480 69.8 150.6-128.9 62.0 6.1 -52.5 28.7 249 251 A P T 3 + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.608 68.8 47.7 -77.9 -12.4 5.5 -51.9 32.4 250 252 A A T 3 S+ 0 0 97 -3,-0.1 2,-0.5 -67,-0.0 -3,-0.0 0.086 88.5 99.2-113.2 22.2 9.1 -51.1 33.5 251 253 A T < + 0 0 33 -3,-1.2 2,-0.3 -8,-0.1 -3,-0.1 -0.942 43.7 144.1-112.8 119.4 10.0 -48.7 30.6 252 254 A T + 0 0 68 -2,-0.5 -67,-0.2 -69,-0.1 3,-0.1 -0.992 56.1 22.8-156.3 150.8 9.9 -44.9 31.3 253 255 A G S S+ 0 0 16 -69,-3.6 -68,-0.2 -2,-0.3 2,-0.1 0.633 102.5 120.7 70.0 17.0 11.7 -41.7 30.4 254 256 A D E -f 185 0A 85 -70,-0.6 -68,-2.5 -84,-0.1 2,-0.4 -0.384 62.9-126.0-112.5 178.8 12.8 -43.7 27.4 255 257 A I E -f 186 0A 19 -70,-0.2 2,-0.5 -2,-0.1 -68,-0.2 -0.994 13.1-160.0-130.3 125.7 12.7 -43.8 23.6 256 258 A I E -f 187 0A 51 -70,-2.8 -68,-2.4 -2,-0.4 2,-0.7 -0.941 18.5-137.5-104.9 128.0 11.5 -46.7 21.5 257 259 A Y E +f 188 0A 80 -2,-0.5 2,-0.6 -70,-0.2 -68,-0.2 -0.771 25.3 174.5 -91.3 114.6 12.7 -46.7 17.9 258 260 A A E +f 189 0A 11 -70,-2.5 -68,-1.7 -2,-0.7 -1,-0.1 -0.714 46.7 111.6-110.4 76.8 10.1 -47.6 15.2 259 261 A D S > S- 0 0 5 -2,-0.6 3,-1.1 -70,-0.3 -1,-0.1 0.192 96.5 -93.9-141.8 12.8 12.4 -46.9 12.3 260 262 A G T 3 S- 0 0 11 1,-0.2 -34,-1.3 -3,-0.2 -33,-0.3 0.485 75.1 -73.6 82.2 4.4 13.1 -50.2 10.7 261 263 A G T > S+ 0 0 22 -37,-0.2 3,-1.9 -36,-0.1 -1,-0.2 0.519 96.0 138.9 80.6 8.0 16.2 -50.5 12.8 262 264 A A G X + 0 0 0 -3,-1.1 3,-1.6 1,-0.3 -2,-0.1 0.821 62.4 59.8 -50.1 -38.6 17.9 -47.8 10.5 263 265 A H G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -39,-0.0 -3,-0.0 0.562 98.2 59.6 -75.0 -6.6 19.5 -46.0 13.5 264 266 A T G < S+ 0 0 85 -3,-1.9 2,-0.4 -41,-0.1 -1,-0.3 0.412 99.0 68.7 -98.4 1.3 21.5 -49.1 14.5 265 267 A Q < - 0 0 85 -3,-1.6 -42,-0.1 -4,-0.2 -41,-0.0 -0.949 56.7-164.5-126.4 139.8 23.3 -49.3 11.2 266 268 A L 0 0 163 -2,-0.4 -1,-0.1 -43,-0.0 -43,-0.1 0.937 360.0 360.0 -88.1 -51.6 25.9 -47.1 9.6 267 269 A L 0 0 199 -44,-0.1 -2,-0.1 -45,-0.1 0, 0.0 0.409 360.0 360.0-127.9 360.0 25.8 -48.2 6.0