==== 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 02-JUN-06 2H7N . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR X.HE,A.ALIAN,R.STROUD,P.R.ORTIZ DE MONTELLANO . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.3 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 . 19 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 35.1 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 0 1 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 2 A T 0 0 181 0, 0.0 2,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 2.2 58.2 25.1 46.8 2 3 A G > - 0 0 18 1,-0.1 3,-1.4 27,-0.1 29,-0.1 -0.359 360.0-123.2 -70.7 149.9 56.9 28.5 47.9 3 4 A L T 3 S+ 0 0 63 1,-0.3 244,-0.4 -2,-0.1 29,-0.1 0.819 113.7 32.8 -60.4 -31.5 53.5 29.7 46.8 4 5 A L T > S+ 0 0 0 27,-1.9 3,-2.2 24,-0.2 -1,-0.3 -0.020 83.4 164.8-117.0 29.3 55.0 32.8 45.3 5 6 A D T < S+ 0 0 85 -3,-1.4 28,-0.2 1,-0.3 27,-0.1 -0.211 72.1 1.9 -51.4 127.2 58.4 31.4 44.1 6 7 A G T 3 S+ 0 0 53 26,-1.0 2,-0.3 1,-0.2 -1,-0.3 0.393 96.3 134.6 77.2 -3.3 60.2 33.7 41.7 7 8 A K < - 0 0 29 -3,-2.2 27,-3.2 25,-0.1 2,-0.6 -0.617 48.3-144.2 -85.0 137.5 57.5 36.4 41.8 8 9 A R E -a 34 0A 78 -2,-0.3 80,-3.4 78,-0.2 81,-1.6 -0.891 26.6-178.4-100.5 118.2 58.4 40.1 42.1 9 10 A I E -ab 35 89A 0 25,-2.6 27,-1.8 -2,-0.6 2,-0.5 -0.963 22.4-146.9-127.2 133.3 55.9 41.9 44.3 10 11 A L E -ab 36 90A 0 79,-2.4 81,-2.6 -2,-0.4 2,-0.5 -0.819 17.7-166.8 -95.0 131.3 55.5 45.5 45.4 11 12 A V E -ab 37 91A 1 25,-2.6 27,-1.9 -2,-0.5 3,-0.2 -0.966 6.5-178.8-125.0 118.9 54.0 46.0 48.8 12 13 A S + 0 0 0 79,-2.1 27,-0.1 -2,-0.5 25,-0.0 -0.574 52.2 58.3-104.2 169.8 52.8 49.4 50.0 13 14 A G + 0 0 24 25,-0.5 2,-0.5 1,-0.3 8,-0.4 0.507 56.8 140.3 93.7 3.7 51.3 50.3 53.4 14 15 A I + 0 0 5 24,-0.7 26,-0.4 -3,-0.2 -1,-0.3 -0.712 6.0 137.6 -85.5 128.7 53.8 49.4 56.0 15 16 A I S S+ 0 0 64 1,-0.5 2,-0.3 -2,-0.5 -1,-0.2 0.500 70.5 11.7-135.0 -32.9 54.1 51.9 58.8 16 17 A T S > S- 0 0 28 33,-0.1 3,-1.3 34,-0.0 -1,-0.5 -0.863 81.5 -99.3-139.4 174.3 54.4 49.7 62.0 17 18 A D T 3 S+ 0 0 107 -2,-0.3 -3,-0.0 1,-0.3 6,-0.0 0.549 122.8 56.8 -75.0 -4.0 54.9 46.1 62.8 18 19 A S T 3 S+ 0 0 28 4,-0.1 -1,-0.3 5,-0.0 5,-0.0 0.442 78.5 120.2-102.5 -3.2 51.2 45.8 63.3 19 20 A S X> - 0 0 12 -3,-1.3 4,-1.3 1,-0.2 3,-0.9 -0.360 69.9-131.7 -61.5 138.5 50.4 47.0 59.8 20 21 A I H 3> S+ 0 0 32 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.885 109.2 59.8 -58.7 -35.3 48.5 44.5 57.8 21 22 A A H 3> S+ 0 0 0 -8,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.792 96.9 59.1 -63.5 -29.4 51.0 45.1 55.0 22 23 A F H <> S+ 0 0 20 -3,-0.9 4,-2.4 -9,-0.2 -1,-0.2 0.933 109.1 43.5 -66.0 -42.6 53.9 44.0 57.3 23 24 A H H X S+ 0 0 40 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.854 111.8 53.3 -70.5 -34.7 52.2 40.6 57.7 24 25 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.941 111.6 46.8 -63.9 -44.9 51.5 40.4 54.0 25 26 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.914 112.1 50.2 -62.8 -43.3 55.1 41.1 53.2 26 27 A R H X S+ 0 0 52 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.945 113.7 43.7 -61.0 -49.9 56.3 38.6 55.8 27 28 A V H X S+ 0 0 9 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.903 111.6 54.5 -63.4 -41.0 54.1 35.8 54.4 28 29 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 -24,-0.2 0.907 110.7 45.5 -59.9 -43.3 55.0 36.7 50.8 29 30 A Q H ><5S+ 0 0 19 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.882 107.3 57.0 -68.3 -37.9 58.7 36.3 51.6 30 31 A E H 3<5S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.819 107.2 52.1 -61.4 -28.1 58.2 33.1 53.5 31 32 A Q T 3<5S- 0 0 63 -4,-1.4 -27,-1.9 -5,-0.2 -1,-0.3 0.140 128.7 -96.2 -95.1 18.5 56.6 31.8 50.2 32 33 A G T < 5S+ 0 0 24 -3,-2.0 -26,-1.0 1,-0.2 -3,-0.2 0.450 71.2 149.3 87.0 1.2 59.5 32.9 48.1 33 34 A A < - 0 0 7 -5,-2.5 2,-0.6 -28,-0.2 -1,-0.2 -0.390 42.6-136.3 -71.9 146.0 58.4 36.2 46.8 34 35 A Q E -a 8 0A 120 -27,-3.2 -25,-2.6 -30,-0.2 2,-0.2 -0.915 32.5-152.4-100.8 119.0 61.0 39.0 46.0 35 36 A L E -a 9 0A 7 -2,-0.6 2,-0.4 21,-0.3 -25,-0.2 -0.628 28.3-171.3-105.7 156.5 59.7 42.2 47.3 36 37 A V E -a 10 0A 3 -27,-1.8 -25,-2.6 -2,-0.2 2,-0.3 -0.992 25.5-154.7-131.8 126.6 60.0 46.0 46.7 37 38 A L E -ac 11 59A 2 21,-3.4 23,-3.3 -2,-0.4 2,-0.4 -0.810 7.8-158.2-109.9 149.9 58.4 48.1 49.5 38 39 A T E - c 0 60A 4 -27,-1.9 -24,-0.7 -2,-0.3 -25,-0.5 -0.978 13.1-173.4-124.9 140.1 57.0 51.6 49.4 39 40 A G E - c 0 61A 3 21,-2.4 23,-2.9 -2,-0.4 2,-0.5 -0.936 18.5-126.6-133.4 157.4 56.5 53.8 52.4 40 41 A F - 0 0 111 -26,-0.4 2,-2.3 -2,-0.3 23,-0.1 -0.907 66.0 -44.6-112.1 126.1 55.0 57.1 53.2 41 42 A D S S+ 0 0 111 -2,-0.5 2,-1.6 1,-0.1 3,-0.2 -0.328 121.6 66.7 63.8 -69.3 56.7 60.1 54.9 42 43 A R > + 0 0 153 -2,-2.3 4,-2.4 1,-0.2 5,-0.2 -0.487 55.7 156.1 -87.1 70.9 58.6 58.3 57.8 43 44 A L H > + 0 0 40 -2,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.816 69.9 55.2 -66.1 -34.4 61.1 56.3 55.7 44 45 A R H > S+ 0 0 221 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.936 111.8 45.6 -64.3 -43.8 63.7 56.0 58.5 45 46 A L H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.948 113.3 49.0 -61.9 -50.9 61.0 54.5 60.8 46 47 A I H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.883 108.9 52.8 -59.5 -39.6 59.7 52.2 58.0 47 48 A Q H X S+ 0 0 72 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.913 110.0 48.2 -63.2 -41.1 63.2 50.9 57.2 48 49 A R H < S+ 0 0 132 -4,-1.9 4,-0.3 2,-0.2 3,-0.2 0.887 113.4 48.6 -66.3 -37.1 63.9 50.1 60.8 49 50 A I H >< S+ 0 0 13 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.946 111.6 47.8 -66.7 -48.9 60.5 48.3 61.0 50 51 A T H >< S+ 0 0 8 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.595 90.1 81.4 -71.5 -9.6 61.1 46.3 57.8 51 52 A D T 3< S+ 0 0 87 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.723 87.0 61.8 -65.8 -18.2 64.6 45.3 58.9 52 53 A R T < S+ 0 0 165 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.504 80.3 108.7 -86.0 -5.7 62.6 42.6 60.9 53 54 A L S < S- 0 0 12 -3,-1.8 -27,-0.1 2,-0.1 -30,-0.0 -0.341 85.1-108.3 -69.2 155.3 61.2 41.0 57.7 54 55 A P S S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.815 96.9 21.0 -52.7 -36.9 62.6 37.5 56.7 55 56 A A S S- 0 0 52 1,-0.0 -2,-0.1 -29,-0.0 2,-0.1 -0.905 90.7 -86.4-135.8 164.2 64.5 38.9 53.8 56 57 A K + 0 0 185 -2,-0.3 -21,-0.3 -22,-0.0 -5,-0.1 -0.364 43.2 178.9 -67.2 144.0 66.0 42.1 52.4 57 58 A A - 0 0 16 -23,-0.1 -21,-0.2 -2,-0.1 2,-0.1 -0.956 30.7-115.3-152.0 128.4 63.7 44.4 50.4 58 59 A P - 0 0 57 0, 0.0 -21,-3.4 0, 0.0 2,-0.5 -0.392 29.5-144.1 -62.8 136.6 64.4 47.8 48.7 59 60 A L E -c 37 0A 35 -23,-0.2 2,-0.4 -2,-0.1 -21,-0.2 -0.921 16.9-172.8-109.1 125.6 62.3 50.6 50.2 60 61 A L E -c 38 0A 24 -23,-3.3 -21,-2.4 -2,-0.5 2,-0.3 -0.915 25.1-117.6-117.4 143.0 60.9 53.3 47.9 61 62 A E E +c 39 0A 85 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.596 36.9 170.5 -79.8 136.4 59.2 56.5 49.0 62 63 A L + 0 0 5 -23,-2.9 2,-0.7 -2,-0.3 -24,-0.0 -0.823 18.5 178.5-153.4 110.2 55.6 56.9 47.8 63 64 A D > - 0 0 38 -2,-0.3 3,-2.5 3,-0.2 7,-0.3 -0.955 22.1-151.7-106.3 110.0 53.0 59.5 48.9 64 65 A V T 3 S+ 0 0 6 -2,-0.7 -1,-0.1 1,-0.3 64,-0.0 0.621 94.6 58.7 -62.3 -10.6 50.0 58.7 46.7 65 66 A Q T 3 S+ 0 0 69 1,-0.1 2,-0.7 4,-0.0 -1,-0.3 0.462 88.0 89.7 -94.1 -2.1 48.9 62.4 46.9 66 67 A N <> - 0 0 43 -3,-2.5 4,-1.8 1,-0.2 3,-0.2 -0.852 61.6-162.6-101.1 109.7 52.2 63.4 45.3 67 68 A E H > S+ 0 0 125 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.834 90.3 53.0 -58.0 -37.8 52.0 63.4 41.5 68 69 A E H > S+ 0 0 153 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.885 105.4 54.4 -67.4 -39.2 55.8 63.4 41.0 69 70 A H H > S+ 0 0 32 -3,-0.2 4,-1.0 -6,-0.2 -2,-0.2 0.923 112.2 44.5 -59.1 -45.0 56.2 60.3 43.2 70 71 A L H X S+ 0 0 12 -4,-1.8 4,-0.5 -7,-0.3 -2,-0.2 0.869 110.5 53.3 -68.0 -39.2 53.6 58.5 41.1 71 72 A A H < S+ 0 0 90 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.807 116.7 38.5 -67.6 -29.5 55.2 59.6 37.8 72 73 A S H X S+ 0 0 52 -4,-1.8 4,-2.2 -5,-0.1 5,-0.2 0.563 92.1 92.8 -97.1 -10.1 58.6 58.4 38.8 73 74 A L H X S+ 0 0 0 -4,-1.0 4,-2.7 1,-0.2 5,-0.2 0.901 82.5 49.7 -51.0 -55.1 57.5 55.2 40.6 74 75 A A H X S+ 0 0 23 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.895 113.1 48.3 -54.5 -42.8 57.7 52.7 37.7 75 76 A G H > S+ 0 0 49 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.898 112.3 48.0 -65.8 -40.5 61.3 53.9 36.9 76 77 A R H X S+ 0 0 59 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.865 111.8 50.1 -68.9 -35.5 62.4 53.7 40.5 77 78 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 5,-0.3 0.927 109.2 51.2 -67.3 -44.2 60.9 50.2 40.8 78 79 A T H X S+ 0 0 38 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.871 108.0 52.8 -60.6 -37.1 62.6 49.0 37.6 79 80 A E H < S+ 0 0 167 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.906 111.0 47.9 -64.6 -39.9 65.9 50.3 39.0 80 81 A A H < S+ 0 0 39 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.853 121.2 33.6 -70.4 -36.5 65.3 48.3 42.2 81 82 A I H < S- 0 0 25 -4,-2.3 -1,-0.2 4,-0.1 -2,-0.2 0.516 119.6-102.3 -98.6 -5.5 64.4 45.0 40.4 82 83 A G >< - 0 0 26 -4,-1.6 3,-1.9 -5,-0.3 -3,-0.1 0.402 39.6 -72.8 93.3 132.2 66.7 45.5 37.4 83 84 A A T 3 S+ 0 0 92 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.207 119.4 33.1 -54.3 142.8 66.0 46.5 33.8 84 85 A G T 3 S+ 0 0 82 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.270 99.8 102.1 92.1 -13.2 64.3 43.8 31.9 85 86 A N < - 0 0 59 -3,-1.9 -1,-0.3 -7,-0.2 2,-0.3 -0.835 50.4-170.3-106.7 144.7 62.4 42.6 34.9 86 87 A K - 0 0 86 -2,-0.4 -78,-0.2 -3,-0.1 51,-0.2 -0.785 27.4 -94.8-125.6 170.6 58.8 43.4 35.7 87 88 A L E - d 0 137A 0 49,-3.0 51,-2.8 -2,-0.3 -78,-0.2 -0.584 18.2-167.6 -87.0 148.8 56.4 43.0 38.7 88 89 A D E S+ 0 0 25 -80,-3.4 54,-1.8 1,-0.3 2,-0.3 0.542 75.0 23.0-106.7 -16.0 54.1 40.0 39.1 89 90 A G E -bd 9 142A 0 -81,-1.6 -79,-2.4 52,-0.2 2,-0.4 -0.999 53.9-165.0-153.9 154.6 52.2 41.5 41.9 90 91 A V E -bd 10 143A 1 52,-2.4 54,-2.9 -2,-0.3 2,-0.5 -0.995 9.7-160.0-140.3 130.6 51.2 44.8 43.6 91 92 A V E -bd 11 144A 0 -81,-2.6 -79,-2.1 -2,-0.4 2,-0.7 -0.963 0.4-164.9-117.7 121.8 49.6 45.2 47.0 92 93 A H E + d 0 145A 0 52,-3.3 54,-1.4 -2,-0.5 -79,-0.1 -0.927 22.2 157.5-103.7 111.7 47.8 48.4 47.9 93 94 A S + 0 0 21 -2,-0.7 2,-0.4 52,-0.2 -72,-0.2 -0.435 31.6 127.8-132.4 56.5 47.3 48.5 51.7 94 95 A I + 0 0 32 28,-0.1 2,-0.3 52,-0.1 52,-0.1 -0.937 22.4 149.9-120.0 136.0 46.8 52.2 52.1 95 96 A G + 0 0 47 -2,-0.4 2,-0.3 -82,-0.1 27,-0.1 -0.978 7.0 162.0-162.3 150.7 44.1 54.0 53.8 96 97 A F + 0 0 86 22,-0.4 26,-0.4 -2,-0.3 25,-0.1 -0.919 8.7 176.4-171.1 144.8 43.4 57.3 55.7 97 98 A M - 0 0 15 -2,-0.3 18,-0.1 24,-0.1 63,-0.1 -0.932 38.1-110.5-154.0 126.8 40.6 59.5 56.8 98 99 A P > - 0 0 17 0, 0.0 3,-2.6 0, 0.0 4,-0.2 -0.223 34.8-110.2 -55.6 150.4 40.9 62.7 58.9 99 100 A Q G > S+ 0 0 139 1,-0.3 3,-1.3 2,-0.2 6,-0.3 0.759 117.7 69.7 -55.3 -22.9 39.6 62.3 62.5 100 101 A T G 3 S+ 0 0 36 1,-0.3 -1,-0.3 4,-0.1 9,-0.1 0.769 98.4 49.6 -66.6 -24.6 36.8 64.7 61.4 101 102 A G G < S+ 0 0 0 -3,-2.6 58,-1.8 13,-0.1 59,-0.6 0.358 115.2 40.8 -97.3 6.0 35.5 61.9 59.2 102 103 A M S X S+ 0 0 43 -3,-1.3 3,-0.9 -4,-0.2 55,-0.2 -0.878 90.5 26.7-143.0 173.9 35.5 59.2 61.8 103 104 A G T 3 S- 0 0 6 53,-1.8 53,-0.3 -2,-0.3 104,-0.2 -0.378 115.0 -25.8 75.2-149.6 34.7 58.5 65.5 104 105 A I T 3 S+ 0 0 78 102,-2.2 -1,-0.2 -2,-0.1 103,-0.1 0.544 100.3 116.0 -79.8 -8.5 32.1 60.5 67.5 105 106 A N S < S- 0 0 56 -3,-0.9 5,-0.1 -6,-0.3 51,-0.1 -0.482 84.0 -99.3 -62.3 122.0 32.6 63.5 65.3 106 107 A P > - 0 0 71 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.126 21.5-128.1 -47.7 135.2 29.1 63.9 63.7 107 108 A F G > S+ 0 0 82 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.891 110.4 51.2 -50.6 -44.4 28.8 62.5 60.2 108 109 A F G 3 S+ 0 0 186 1,-0.2 -1,-0.3 3,-0.0 -7,-0.0 0.643 100.5 64.0 -71.1 -15.9 27.4 65.8 59.0 109 110 A D G < S+ 0 0 108 -3,-1.5 -1,-0.2 -9,-0.1 -2,-0.2 0.461 70.4 110.7 -90.8 0.9 30.2 67.9 60.5 110 111 A A < - 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0 0 13 -3,-2.0 4,-1.8 -104,-0.2 -1,-0.4 0.001 50.0 -98.4 109.3 145.0 35.8 59.5 71.5 208 209 A E H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.932 119.8 47.4 -61.3 -51.3 34.5 57.1 74.2 209 210 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.856 109.3 55.1 -61.8 -35.1 31.3 56.0 72.4 210 211 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 110.0 46.0 -64.0 -43.0 33.2 55.4 69.2 211 212 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.893 111.8 51.9 -65.8 -39.0 35.6 53.1 71.0 212 213 A A H X S+ 0 0 36 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.892 109.4 49.8 -63.9 -41.0 32.7 51.3 72.7 213 214 A Q H X S+ 0 0 70 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.878 108.9 51.7 -67.3 -37.5 31.0 50.8 69.4 214 215 A I H X S+ 0 0 23 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.906 108.2 51.9 -66.1 -41.1 34.1 49.3 67.8 215 216 A Q H X S+ 0 0 85 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.921 109.7 49.2 -60.6 -43.1 34.5 46.9 70.7 216 217 A L H X S+ 0 0 119 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.897 110.7 51.8 -61.9 -40.2 30.9 45.8 70.3 217 218 A L H X S+ 0 0 42 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.920 109.5 48.3 -61.6 -47.2 31.6 45.3 66.5 218 219 A E H X S+ 0 0 11 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.917 112.7 48.1 -61.0 -45.7 34.7 43.2 67.1 219 220 A E H X S+ 0 0 106 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.905 112.1 48.7 -63.6 -41.4 32.9 40.9 69.6 220 221 A G H X S+ 0 0 14 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.835 107.0 58.4 -67.4 -30.9 29.9 40.5 67.3 221 222 A W H X S+ 0 0 14 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.934 106.9 44.7 -64.1 -48.4 32.3 39.7 64.5 222 223 A D H < S+ 0 0 80 -4,-1.9 6,-0.2 1,-0.2 -1,-0.2 0.854 114.0 51.7 -64.9 -34.7 33.8 36.7 66.3 223 224 A Q H < S+ 0 0 153 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.924 113.2 43.4 -68.4 -43.5 30.4 35.5 67.4 224 225 A R H < S+ 0 0 68 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.821 91.2 96.4 -70.3 -35.5 29.0 35.7 63.8 225 226 A A >< - 0 0 6 -4,-2.2 3,-1.9 -5,-0.2 37,-0.2 -0.428 68.1-148.7 -61.8 116.7 32.0 34.1 62.2 226 227 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 0.794 102.5 33.3 -57.4 -28.4 31.3 30.3 61.7 227 228 A I T 3 S- 0 0 149 34,-1.3 35,-0.1 1,-0.3 -2,-0.1 0.163 120.7-114.2-111.6 16.0 35.0 29.6 62.2 228 229 A G < - 0 0 23 -3,-1.9 2,-0.3 33,-0.3 -1,-0.3 0.058 22.0-112.6 74.9 170.2 35.6 32.5 64.6 229 230 A W - 0 0 28 -4,-0.1 2,-0.7 -10,-0.1 -7,-0.1 -0.954 14.4-160.5-148.0 124.6 37.6 35.6 64.1 230 231 A N > - 0 0 85 -2,-0.3 3,-1.8 3,-0.2 -39,-0.1 -0.893 1.0-168.6-108.6 102.9 40.8 36.6 65.9 231 232 A M T 3 S+ 0 0 44 -2,-0.7 -37,-3.1 1,-0.3 -1,-0.1 0.605 86.2 61.0 -65.7 -12.0 41.4 40.4 65.6 232 233 A K T 3 S+ 0 0 171 -39,-0.2 2,-0.5 1,-0.1 -1,-0.3 0.406 93.6 73.4 -95.6 3.2 44.9 40.0 67.0 233 234 A D < + 0 0 59 -3,-1.8 4,-0.3 1,-0.1 -3,-0.2 -0.910 45.6 171.0-124.3 106.5 46.0 37.7 64.1 234 235 A A > + 0 0 6 -2,-0.5 4,-2.4 1,-0.2 3,-0.5 0.517 60.0 93.3 -88.4 -5.6 46.6 39.2 60.7 235 236 A T H > S+ 0 0 31 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.886 80.5 54.0 -55.8 -45.4 48.1 36.0 59.2 236 237 A P H > S+ 0 0 55 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.867 112.1 46.5 -59.0 -34.8 44.8 34.6 57.8 237 238 A V H > S+ 0 0 0 -3,-0.5 4,-2.1 -4,-0.3 -2,-0.2 0.917 111.6 50.3 -71.9 -44.7 44.4 37.9 55.9 238 239 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.897 109.4 51.8 -60.7 -40.8 48.0 37.9 54.7 239 240 A K H X S+ 0 0 130 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.889 108.1 51.9 -63.4 -39.0 47.6 34.3 53.5 240 241 A T H X S+ 0 0 32 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.899 108.4 50.2 -64.6 -42.1 44.4 35.4 51.5 241 242 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.929 110.7 50.1 -62.3 -43.3 46.3 38.2 49.8 242 243 A C H X S+ 0 0 2 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.858 105.1 57.8 -63.9 -32.9 49.1 35.8 48.9 243 244 A A H < S+ 0 0 34 -4,-1.9 5,-0.4 1,-0.2 3,-0.4 0.924 108.9 45.6 -61.4 -43.1 46.4 33.4 47.5 244 245 A L H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.788 110.4 53.8 -70.4 -27.7 45.3 36.2 45.2 245 246 A L H < S+ 0 0 4 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.694 101.4 78.1 -79.1 -18.5 48.9 37.1 44.3 246 247 A S S < S- 0 0 1 -4,-1.3 3,-0.5 -3,-0.4 -242,-0.1 -0.066 96.2-104.6 -80.5-175.4 49.5 33.4 43.3 247 248 A D S S+ 0 0 93 -244,-0.4 -3,-0.1 1,-0.2 -1,-0.1 0.294 98.9 90.3 -93.1 9.8 48.5 31.6 40.1 248 249 A W S S+ 0 0 195 -5,-0.4 -1,-0.2 1,-0.2 -4,-0.1 0.451 84.1 45.2 -90.2 -0.1 45.7 29.7 41.9 249 250 A L > + 0 0 55 -3,-0.5 3,-1.1 -6,-0.2 -1,-0.2 -0.471 68.9 151.6-135.3 58.4 42.8 32.2 41.4 250 251 A P T 3 + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.582 68.3 48.4 -68.1 -14.5 43.4 32.8 37.6 251 252 A A T 3 S+ 0 0 97 -3,-0.1 2,-0.5 -67,-0.0 -3,-0.0 0.096 88.4 97.3-116.3 22.6 39.8 33.6 36.7 252 253 A T < + 0 0 33 -3,-1.1 2,-0.3 -8,-0.1 -3,-0.1 -0.951 43.2 142.7-115.5 121.6 38.9 36.1 39.5 253 254 A T + 0 0 67 -2,-0.5 -67,-0.2 -69,-0.1 3,-0.1 -0.990 57.6 24.9-155.6 154.1 39.1 39.8 38.8 254 255 A G S S+ 0 0 18 -69,-3.5 -68,-0.2 -2,-0.3 2,-0.1 0.632 102.1 120.4 66.0 16.1 37.2 43.0 39.7 255 256 A D E -f 186 0A 82 -70,-0.6 -68,-2.5 -84,-0.1 2,-0.4 -0.385 63.0-126.9-108.4 180.0 36.1 41.0 42.8 256 257 A I E -f 187 0A 17 -70,-0.2 2,-0.5 -2,-0.1 -68,-0.2 -0.996 13.5-160.8-131.4 124.9 36.2 41.0 46.5 257 258 A I E -f 188 0A 52 -70,-2.8 -68,-2.4 -2,-0.4 2,-0.7 -0.929 18.7-138.0-105.9 125.7 37.4 38.0 48.6 258 259 A Y E +f 189 0A 81 -2,-0.5 2,-0.7 -70,-0.2 -68,-0.2 -0.770 24.8 175.8 -92.6 113.6 36.2 38.0 52.2 259 260 A A E +f 190 0A 12 -70,-2.3 -68,-1.6 -2,-0.7 -1,-0.1 -0.731 47.8 112.2-110.0 75.2 38.8 37.1 54.8 260 261 A D S > S- 0 0 3 -2,-0.7 3,-1.3 -70,-0.3 -1,-0.2 0.113 95.6 -96.0-136.3 19.4 36.5 37.8 57.7 261 262 A G T 3 S- 0 0 11 1,-0.3 -34,-1.3 -3,-0.2 -33,-0.3 0.563 74.7 -71.3 74.0 8.3 35.8 34.4 59.2 262 263 A G T > S+ 0 0 22 -37,-0.2 3,-1.8 -36,-0.1 -1,-0.3 0.536 96.7 137.3 83.5 7.9 32.6 34.2 57.2 263 264 A A G X + 0 0 0 -3,-1.3 3,-1.6 1,-0.3 -2,-0.1 0.833 62.6 60.1 -56.8 -36.9 31.0 36.8 59.4 264 265 A H G 3 S+ 0 0 80 1,-0.3 -1,-0.3 -4,-0.0 -3,-0.0 0.609 98.7 60.4 -70.5 -7.8 29.4 38.7 56.5 265 266 A T G < S+ 0 0 82 -3,-1.8 2,-0.4 -41,-0.1 -1,-0.3 0.410 98.9 66.5 -97.0 1.3 27.4 35.6 55.6 266 267 A Q < - 0 0 85 -3,-1.6 -42,-0.1 -4,-0.2 -41,-0.0 -0.965 58.7-160.1-126.8 139.2 25.6 35.4 58.9 267 268 A L 0 0 155 -2,-0.4 -1,-0.1 1,-0.4 -43,-0.1 0.887 360.0 360.0 -81.0 -41.1 23.1 37.7 60.5 268 269 A L 0 0 181 -44,-0.1 -1,-0.4 -45,-0.1 -48,-0.0 -0.932 360.0 360.0-165.7 360.0 23.7 36.4 64.0