==== 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 2H7L . 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) . 12532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.7 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 . 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 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 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 0 157 0, 0.0 31,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 2.3 -10.5 57.7 45.8 2 3 A G > - 0 0 25 27,-0.1 3,-1.6 1,-0.1 29,-0.1 0.014 360.0 -82.3 -68.0-177.3 -8.0 55.9 48.0 3 4 A L T 3 S+ 0 0 65 1,-0.3 244,-0.4 243,-0.0 29,-0.1 0.802 132.6 34.0 -58.1 -32.2 -4.6 54.6 46.8 4 5 A L T > S+ 0 0 0 27,-2.0 3,-2.0 24,-0.2 -1,-0.3 -0.032 83.4 160.9-115.7 29.7 -6.2 51.5 45.3 5 6 A D T < S+ 0 0 97 -3,-1.6 28,-0.2 1,-0.3 27,-0.1 -0.269 71.4 4.8 -55.4 127.6 -9.6 52.9 44.2 6 7 A G T 3 S+ 0 0 53 26,-1.1 2,-0.3 1,-0.2 -1,-0.3 0.372 97.5 131.4 80.3 -4.9 -11.3 50.8 41.6 7 8 A K < - 0 0 27 -3,-2.0 27,-3.0 25,-0.1 2,-0.6 -0.607 49.7-144.4 -87.5 141.1 -8.7 48.0 41.8 8 9 A R E -a 34 0A 58 -2,-0.3 80,-3.5 78,-0.2 81,-1.7 -0.915 26.2-177.9-103.4 119.9 -9.7 44.3 42.2 9 10 A I E -ab 35 89A 0 25,-2.5 27,-1.8 -2,-0.6 2,-0.5 -0.969 22.7-146.8-129.3 132.4 -7.1 42.4 44.3 10 11 A L E -ab 36 90A 0 79,-2.7 81,-2.8 -2,-0.4 2,-0.5 -0.816 18.0-166.6 -93.8 127.8 -6.8 38.8 45.4 11 12 A V E -ab 37 91A 0 25,-2.6 27,-1.7 -2,-0.5 3,-0.3 -0.952 7.0-179.4-122.2 115.5 -5.3 38.3 48.9 12 13 A S E +a 38 0A 0 79,-2.4 27,-0.1 -2,-0.5 25,-0.0 -0.551 52.2 58.5-101.1 167.9 -4.1 34.9 50.0 13 14 A G + 0 0 24 25,-0.5 2,-0.4 1,-0.3 8,-0.4 0.468 56.3 139.3 96.9 0.1 -2.6 34.1 53.4 14 15 A I + 0 0 5 24,-0.6 26,-0.4 -3,-0.3 -1,-0.3 -0.680 6.2 138.1 -84.0 131.1 -5.1 35.0 56.1 15 16 A I S S+ 0 0 66 1,-0.6 2,-0.3 -2,-0.4 -1,-0.2 0.458 70.6 14.3-137.2 -32.8 -5.4 32.5 58.9 16 17 A T S > S- 0 0 23 33,-0.1 3,-1.1 34,-0.0 -1,-0.6 -0.863 81.7-101.3-138.4 173.3 -5.6 34.7 62.1 17 18 A D T 3 S+ 0 0 108 -2,-0.3 -3,-0.0 1,-0.2 6,-0.0 0.583 122.1 55.4 -74.2 -8.3 -6.3 38.3 62.8 18 19 A S T 3 S+ 0 0 30 4,-0.1 -1,-0.2 5,-0.0 5,-0.0 0.478 79.0 121.5-100.1 -4.8 -2.5 38.8 63.3 19 20 A S S X> S- 0 0 10 -3,-1.1 4,-1.4 1,-0.1 3,-0.8 -0.283 70.0-129.7 -58.0 141.0 -1.6 37.4 59.9 20 21 A I H 3> S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.904 110.2 58.6 -58.6 -38.8 0.3 39.9 57.8 21 22 A A H 3> S+ 0 0 0 -8,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.777 98.7 57.6 -61.6 -30.0 -2.2 39.2 55.0 22 23 A F H <> S+ 0 0 20 -3,-0.8 4,-2.8 -9,-0.2 -1,-0.2 0.948 109.7 43.9 -66.9 -45.9 -5.1 40.3 57.2 23 24 A H H X S+ 0 0 40 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.841 112.1 53.4 -67.2 -32.5 -3.5 43.7 57.7 24 25 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.932 111.3 46.6 -66.0 -43.9 -2.7 43.9 54.0 25 26 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.934 111.8 51.1 -63.1 -45.8 -6.4 43.2 53.3 26 27 A R H X S+ 0 0 51 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.956 113.1 43.6 -56.5 -54.7 -7.6 45.8 55.8 27 28 A V H X S+ 0 0 8 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.888 111.2 54.9 -59.9 -41.5 -5.4 48.5 54.4 28 29 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.2 -24,-0.2 0.927 111.0 44.7 -59.5 -45.4 -6.2 47.7 50.8 29 30 A Q H ><5S+ 0 0 19 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.891 108.8 56.2 -66.0 -38.9 -10.0 48.0 51.5 30 31 A E H 3<5S+ 0 0 101 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.812 107.4 52.6 -61.3 -27.7 -9.4 51.2 53.5 31 32 A Q T 3<5S- 0 0 64 -4,-1.5 -27,-2.0 -3,-0.2 -1,-0.3 0.123 129.0 -95.2 -95.6 19.2 -7.8 52.4 50.3 32 33 A G T < 5S+ 0 0 35 -3,-2.0 -26,-1.1 1,-0.2 -3,-0.2 0.460 73.2 145.9 87.0 2.3 -10.7 51.5 48.0 33 34 A A < - 0 0 10 -5,-2.5 2,-0.6 -28,-0.2 -1,-0.2 -0.450 44.2-136.9 -77.6 146.9 -9.7 48.1 46.7 34 35 A Q E -a 8 0A 89 -27,-3.0 -25,-2.5 -30,-0.2 2,-0.2 -0.910 32.6-152.4-100.6 120.4 -12.3 45.4 46.1 35 36 A L E -a 9 0A 4 -2,-0.6 2,-0.4 21,-0.3 -25,-0.2 -0.616 27.6-169.8-106.1 159.6 -11.0 42.1 47.4 36 37 A V E -a 10 0A 2 -27,-1.8 -25,-2.6 -2,-0.2 2,-0.3 -0.989 25.0-153.8-134.4 128.5 -11.3 38.4 46.8 37 38 A L E -ac 11 59A 2 21,-3.3 23,-3.1 -2,-0.4 2,-0.4 -0.793 8.2-159.4-110.9 152.5 -9.7 36.2 49.5 38 39 A T E -ac 12 60A 3 -27,-1.7 -24,-0.6 -2,-0.3 -25,-0.5 -0.988 13.0-172.6-129.0 139.4 -8.2 32.7 49.4 39 40 A G E - c 0 61A 3 21,-2.5 23,-2.7 -2,-0.4 2,-0.5 -0.946 18.9-126.7-134.2 156.3 -7.8 30.5 52.4 40 41 A F - 0 0 114 -26,-0.4 2,-2.4 -2,-0.3 23,-0.1 -0.895 67.7 -44.9-109.6 124.7 -6.2 27.2 53.3 41 42 A D S S+ 0 0 110 -2,-0.5 2,-1.6 1,-0.1 3,-0.2 -0.330 121.4 68.3 64.6 -67.6 -8.0 24.3 55.0 42 43 A R > + 0 0 163 -2,-2.4 4,-2.5 1,-0.2 5,-0.2 -0.488 53.7 155.0 -87.1 70.9 -9.8 26.1 57.8 43 44 A L H > S+ 0 0 41 -2,-1.6 4,-2.5 1,-0.2 5,-0.2 0.820 70.6 55.1 -66.9 -33.6 -12.4 28.1 55.8 44 45 A R H > S+ 0 0 222 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 112.2 44.6 -66.1 -42.6 -14.9 28.4 58.6 45 46 A L H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.950 114.5 48.4 -63.2 -50.1 -12.2 30.0 60.8 46 47 A I H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.866 109.7 52.0 -60.7 -38.5 -11.0 32.2 58.1 47 48 A Q H X S+ 0 0 65 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.936 111.0 48.1 -63.9 -44.0 -14.5 33.4 57.2 48 49 A R H < S+ 0 0 135 -4,-2.0 4,-0.3 -5,-0.2 -2,-0.2 0.865 114.4 46.7 -63.8 -37.1 -15.1 34.3 60.8 49 50 A I H >< S+ 0 0 13 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.942 112.3 48.5 -69.8 -48.5 -11.8 36.1 61.0 50 51 A T H >< S+ 0 0 3 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.608 91.0 79.9 -70.3 -10.1 -12.3 38.0 57.7 51 52 A D T 3< S+ 0 0 87 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.763 87.0 62.5 -65.4 -22.4 -15.8 39.0 58.8 52 53 A R T < S+ 0 0 174 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.516 79.8 110.0 -81.1 -6.5 -13.9 41.7 60.8 53 54 A L S < S- 0 0 11 -3,-1.7 -27,-0.1 2,-0.1 -30,-0.0 -0.320 85.9-106.5 -67.9 154.8 -12.5 43.3 57.7 54 55 A P S S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.806 99.5 17.9 -50.0 -37.2 -13.8 46.8 56.7 55 56 A A S S- 0 0 52 -29,-0.0 -2,-0.1 1,-0.0 -26,-0.1 -0.926 91.2 -87.2-138.0 162.4 -15.8 45.4 53.8 56 57 A K + 0 0 141 -2,-0.3 -21,-0.3 -4,-0.1 -5,-0.1 -0.347 42.0 179.3 -67.6 146.8 -17.2 42.1 52.6 57 58 A A - 0 0 4 -23,-0.1 -21,-0.2 -2,-0.1 -4,-0.1 -0.953 31.7-111.1-153.2 128.7 -15.0 39.9 50.4 58 59 A P - 0 0 60 0, 0.0 -21,-3.3 0, 0.0 2,-0.5 -0.356 29.6-141.8 -60.3 135.2 -15.6 36.5 48.8 59 60 A L E -c 37 0A 34 -23,-0.2 2,-0.3 -21,-0.0 -21,-0.2 -0.901 19.1-172.6-104.2 124.9 -13.6 33.7 50.4 60 61 A L E -c 38 0A 15 -23,-3.1 -21,-2.5 -2,-0.5 2,-0.4 -0.893 24.4-117.9-115.7 146.0 -12.2 31.0 48.0 61 62 A E E +c 39 0A 83 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.689 36.8 169.4 -86.7 134.0 -10.4 27.8 49.0 62 63 A L + 0 0 4 -23,-2.7 2,-0.7 -2,-0.4 -24,-0.0 -0.851 18.4 178.3-150.3 110.3 -6.9 27.4 47.8 63 64 A D > - 0 0 39 -2,-0.3 3,-2.6 3,-0.2 7,-0.3 -0.952 22.6-151.8-106.2 107.9 -4.4 24.8 48.9 64 65 A V T 3 S+ 0 0 6 -2,-0.7 -1,-0.1 1,-0.3 64,-0.0 0.622 94.5 58.5 -60.1 -11.6 -1.3 25.6 46.8 65 66 A Q T 3 S+ 0 0 68 1,-0.1 2,-0.8 4,-0.0 -1,-0.3 0.489 87.9 89.9 -93.5 -3.4 -0.2 22.0 46.9 66 67 A N <> - 0 0 49 -3,-2.6 4,-1.8 1,-0.2 3,-0.3 -0.830 59.5-165.7 -99.4 105.5 -3.6 21.0 45.3 67 68 A E H > S+ 0 0 121 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.828 90.6 56.4 -56.1 -35.3 -3.3 21.0 41.5 68 69 A E H > S+ 0 0 151 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 104.8 51.1 -64.6 -45.1 -7.1 20.8 41.3 69 70 A H H > S+ 0 0 29 -3,-0.3 4,-1.2 -6,-0.2 -2,-0.2 0.900 112.7 46.5 -58.6 -43.9 -7.5 24.0 43.3 70 71 A L H X S+ 0 0 13 -4,-1.8 4,-0.6 -7,-0.3 -1,-0.2 0.861 107.8 55.8 -68.3 -37.6 -5.0 25.8 41.1 71 72 A A H < S+ 0 0 89 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.829 117.1 35.1 -65.6 -32.8 -6.6 24.6 37.9 72 73 A S H X S+ 0 0 51 -4,-1.6 4,-2.3 -5,-0.1 3,-0.4 0.586 92.2 94.9 -97.4 -12.5 -10.0 26.0 38.8 73 74 A L H X S+ 0 0 0 -4,-1.2 4,-2.5 1,-0.2 5,-0.2 0.878 83.3 49.2 -45.9 -55.0 -8.8 29.1 40.7 74 75 A A H X S+ 0 0 23 -4,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.875 112.5 48.9 -55.9 -41.4 -9.1 31.6 37.8 75 76 A G H > S+ 0 0 50 -3,-0.4 4,-1.8 -4,-0.2 -1,-0.2 0.901 111.8 48.2 -66.8 -40.4 -12.6 30.4 37.0 76 77 A R H X S+ 0 0 53 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.860 112.3 49.3 -68.4 -35.0 -13.7 30.7 40.6 77 78 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.923 110.3 49.8 -68.8 -44.4 -12.2 34.2 40.9 78 79 A T H X S+ 0 0 39 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.860 109.9 52.9 -61.5 -34.6 -13.9 35.3 37.7 79 80 A E H < S+ 0 0 143 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.900 111.7 45.7 -66.3 -41.5 -17.1 33.9 39.1 80 81 A A H < S+ 0 0 33 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.859 120.7 36.2 -71.8 -38.5 -16.6 36.0 42.3 81 82 A I H < S- 0 0 9 -4,-2.7 -1,-0.2 4,-0.1 -2,-0.2 0.502 120.2-102.7 -94.7 -3.7 -15.7 39.3 40.6 82 83 A G >< - 0 0 28 -4,-1.2 3,-1.8 -5,-0.3 -3,-0.1 0.472 39.6 -73.8 90.3 129.5 -18.1 38.8 37.7 83 84 A A T 3 S+ 0 0 90 1,-0.3 3,-0.1 -4,-0.2 -4,-0.0 -0.170 119.0 34.6 -52.5 142.6 -17.4 37.8 34.1 84 85 A G T 3 S+ 0 0 83 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.274 99.8 100.3 93.2 -12.0 -15.8 40.5 32.0 85 86 A N < - 0 0 58 -3,-1.8 -1,-0.3 -7,-0.2 2,-0.2 -0.871 51.8-168.9-109.9 142.6 -13.8 41.7 35.0 86 87 A K - 0 0 87 -2,-0.4 2,-0.2 -3,-0.1 51,-0.2 -0.746 27.0 -93.4-122.9 171.5 -10.1 40.9 35.8 87 88 A L E - d 0 137A 0 49,-3.1 51,-2.7 -2,-0.2 -78,-0.2 -0.594 19.3-169.9 -86.3 147.5 -7.7 41.3 38.7 88 89 A D E S+ 0 0 26 -80,-3.5 54,-1.5 1,-0.3 2,-0.3 0.553 74.5 22.6-106.8 -16.6 -5.4 44.3 39.1 89 90 A G E -bd 9 142A 0 -81,-1.7 -79,-2.7 52,-0.2 2,-0.4 -1.000 53.6-164.8-155.1 152.0 -3.4 42.7 41.9 90 91 A V E -bd 10 143A 1 52,-2.3 54,-2.9 -2,-0.3 2,-0.5 -0.999 10.0-159.7-137.8 130.6 -2.4 39.5 43.6 91 92 A V E -bd 11 144A 0 -81,-2.8 -79,-2.4 -2,-0.4 2,-0.7 -0.953 0.7-165.4-118.5 118.1 -0.9 39.1 47.1 92 93 A H E + d 0 145A 0 52,-3.5 54,-1.3 -2,-0.5 -79,-0.1 -0.901 22.2 157.2-100.5 111.2 1.0 35.9 48.0 93 94 A S + 0 0 21 -2,-0.7 2,-0.4 52,-0.2 -72,-0.2 -0.455 31.4 130.1-131.7 56.3 1.4 35.8 51.8 94 95 A I + 0 0 30 28,-0.1 2,-0.3 52,-0.1 52,-0.1 -0.935 21.9 152.3-118.4 134.0 1.9 32.1 52.1 95 96 A G + 0 0 47 -2,-0.4 2,-0.3 -82,-0.1 24,-0.1 -0.979 5.4 159.1-159.9 146.5 4.7 30.3 53.9 96 97 A F + 0 0 83 22,-0.4 26,-0.4 -2,-0.3 25,-0.1 -0.931 7.9 172.2-169.0 145.6 5.3 27.0 55.7 97 98 A M - 0 0 14 -2,-0.3 18,-0.1 24,-0.1 5,-0.1 -0.927 38.2-109.4-157.3 128.9 8.1 24.7 56.8 98 99 A P > - 0 0 18 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.170 36.2-105.9 -57.3 156.3 7.8 21.6 59.0 99 100 A Q G > S+ 0 0 142 1,-0.3 3,-1.0 2,-0.2 6,-0.4 0.770 119.5 64.8 -55.7 -27.2 9.2 21.8 62.6 100 101 A T G 3 S+ 0 0 41 1,-0.2 -1,-0.3 4,-0.1 9,-0.1 0.717 101.0 51.2 -70.1 -18.7 12.2 19.7 61.5 101 102 A G G < S+ 0 0 0 -3,-2.3 58,-1.8 13,-0.1 59,-0.7 0.420 116.6 32.3 -98.9 0.3 13.3 22.5 59.1 102 103 A M S X S+ 0 0 38 -3,-1.0 3,-0.8 -4,-0.3 55,-0.2 -0.825 94.8 33.2-141.2 178.5 13.2 25.3 61.7 103 104 A G T 3 S- 0 0 6 53,-0.9 53,-0.2 -2,-0.2 104,-0.2 -0.368 113.2 -28.3 74.6-149.0 13.8 25.8 65.4 104 105 A I T 3 S+ 0 0 89 102,-2.0 -1,-0.2 -2,-0.1 103,-0.1 0.588 98.8 113.6 -83.4 -12.9 16.3 23.9 67.5 105 106 A N S < S- 0 0 50 -3,-0.8 5,-0.1 -6,-0.4 51,-0.0 -0.433 84.5 -96.1 -60.9 128.1 16.2 20.8 65.4 106 107 A P > - 0 0 67 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.111 24.4-125.0 -48.1 139.5 19.7 20.5 63.8 107 108 A F G > S+ 0 0 79 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.883 111.9 52.5 -52.7 -42.6 20.0 21.9 60.2 108 109 A F G 3 S+ 0 0 185 1,-0.2 -1,-0.3 3,-0.0 -7,-0.0 0.603 98.6 66.5 -72.1 -12.8 21.3 18.5 59.0 109 110 A D G < + 0 0 95 -3,-1.6 -1,-0.2 -9,-0.1 -2,-0.2 0.389 68.4 110.4 -92.4 4.4 18.4 16.6 60.5 110 111 A A < - 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0 0 23 -3,-1.9 2,-0.3 33,-0.3 -1,-0.3 0.069 21.5-110.2 73.5 170.9 13.2 51.8 64.6 229 230 A W - 0 0 29 -4,-0.1 2,-0.7 -11,-0.1 -7,-0.1 -0.965 14.2-160.0-147.0 125.9 11.0 48.7 64.2 230 231 A N > - 0 0 89 -2,-0.3 3,-2.0 3,-0.2 -39,-0.1 -0.879 2.3-167.4-109.2 101.2 7.8 47.7 66.0 231 232 A M T 3 S+ 0 0 40 -2,-0.7 -37,-3.3 1,-0.3 -1,-0.1 0.650 86.4 60.5 -60.8 -17.4 7.3 43.9 65.7 232 233 A K T 3 S+ 0 0 163 -39,-0.2 2,-0.6 1,-0.1 -1,-0.3 0.553 93.8 73.4 -88.8 -6.9 3.7 44.3 67.0 233 234 A D < + 0 0 59 -3,-2.0 4,-0.3 1,-0.1 -3,-0.2 -0.868 45.2 170.4-116.8 104.4 2.7 46.6 64.1 234 235 A A >> + 0 0 4 -2,-0.6 4,-2.5 1,-0.2 3,-0.7 0.571 59.8 93.6 -83.8 -9.5 2.2 45.1 60.7 235 236 A T H 3> S+ 0 0 40 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.860 80.6 53.8 -53.7 -42.5 0.6 48.2 59.2 236 237 A P H 3> S+ 0 0 57 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.876 112.0 46.9 -62.0 -33.4 3.9 49.6 57.8 237 238 A V H <> S+ 0 0 0 -3,-0.7 4,-2.0 -4,-0.3 -2,-0.2 0.916 111.8 49.7 -71.3 -44.4 4.3 46.3 56.0 238 239 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.890 108.9 52.7 -62.5 -39.8 0.8 46.3 54.7 239 240 A K H X S+ 0 0 132 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.884 107.6 52.2 -63.7 -37.5 1.1 49.9 53.5 240 241 A T H X S+ 0 0 33 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.900 107.9 50.6 -65.2 -41.7 4.3 48.9 51.5 241 242 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.911 110.1 50.6 -62.3 -41.8 2.5 46.0 49.9 242 243 A C H X S+ 0 0 1 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.850 104.9 57.3 -64.9 -33.0 -0.3 48.4 48.9 243 244 A A H < S+ 0 0 33 -4,-1.8 5,-0.4 1,-0.2 3,-0.3 0.904 108.8 46.2 -62.4 -40.6 2.3 50.8 47.4 244 245 A L H < S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.787 110.7 53.1 -71.1 -29.6 3.5 48.0 45.2 245 246 A L H < S+ 0 0 3 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.683 101.7 78.6 -78.8 -18.3 -0.1 47.2 44.3 246 247 A S S < S- 0 0 1 -4,-1.2 3,-0.5 -3,-0.3 -242,-0.1 -0.089 96.0-105.2 -81.6-176.8 -0.7 50.8 43.3 247 248 A D S S+ 0 0 90 -244,-0.4 -3,-0.1 1,-0.2 -1,-0.1 0.289 99.3 90.2 -92.0 10.5 0.2 52.7 40.1 248 249 A W S S+ 0 0 196 -5,-0.4 -1,-0.2 1,-0.2 -4,-0.1 0.368 84.4 44.7 -93.1 7.1 3.1 54.5 41.9 249 250 A L > + 0 0 55 -3,-0.5 3,-1.1 -6,-0.2 -1,-0.2 -0.434 69.0 151.5-141.2 56.3 5.9 52.0 41.4 250 251 A P T 3 + 0 0 97 0, 0.0 -2,-0.1 0, 0.0 -110,-0.1 0.580 68.8 48.4 -66.8 -15.7 5.3 51.4 37.6 251 252 A A T 3 S+ 0 0 96 -3,-0.1 2,-0.5 -67,-0.0 -3,-0.0 0.053 87.9 97.6-116.9 26.3 8.9 50.6 36.7 252 253 A T < + 0 0 30 -3,-1.1 2,-0.3 -8,-0.1 -3,-0.1 -0.957 43.5 143.6-119.0 117.7 9.8 48.1 39.5 253 254 A T + 0 0 69 -2,-0.5 -67,-0.2 -69,-0.1 3,-0.1 -0.993 57.9 22.7-153.6 150.9 9.6 44.4 38.8 254 255 A G S S+ 0 0 15 -69,-3.9 -68,-0.2 -2,-0.3 2,-0.1 0.618 102.7 119.6 69.0 16.5 11.5 41.2 39.7 255 256 A D E -f 186 0A 83 -70,-0.6 -68,-2.4 -84,-0.1 2,-0.4 -0.354 63.4-127.2-107.8-178.7 12.6 43.2 42.7 256 257 A I E -f 187 0A 21 -70,-0.2 2,-0.5 -3,-0.1 -68,-0.2 -0.994 13.7-160.7-134.2 122.3 12.5 43.3 46.5 257 258 A I E -f 188 0A 52 -70,-2.8 -68,-2.3 -2,-0.4 2,-0.7 -0.908 18.7-137.0-103.1 129.5 11.3 46.3 48.5 258 259 A Y E +f 189 0A 74 -2,-0.5 2,-0.7 -70,-0.2 -68,-0.2 -0.788 24.9 176.2 -95.8 112.5 12.4 46.3 52.1 259 260 A A E +f 190 0A 12 -70,-2.0 -68,-1.7 -2,-0.7 -1,-0.1 -0.679 48.4 112.9-107.2 71.4 9.8 47.2 54.7 260 261 A D S > S- 0 0 3 -2,-0.7 3,-1.4 -70,-0.3 -1,-0.2 0.105 95.1 -97.2-132.0 19.8 12.2 46.5 57.6 261 262 A G T 3 S- 0 0 11 1,-0.3 -34,-1.2 -3,-0.2 -33,-0.3 0.548 74.7 -71.5 74.1 5.9 12.8 49.9 59.2 262 263 A G T > S+ 0 0 21 -37,-0.2 3,-1.9 -36,-0.1 -1,-0.3 0.504 96.9 137.3 86.1 5.7 16.0 50.1 57.2 263 264 A A G X + 0 0 0 -3,-1.4 3,-1.9 1,-0.3 -2,-0.1 0.852 63.3 59.6 -52.9 -41.2 17.6 47.4 59.4 264 265 A H G 3 S+ 0 0 75 1,-0.3 -1,-0.3 -4,-0.0 -3,-0.0 0.627 98.3 60.2 -67.4 -10.2 19.2 45.5 56.5 265 266 A T G < S+ 0 0 81 -3,-1.9 2,-0.4 -41,-0.0 -1,-0.3 0.399 99.7 69.0 -95.6 2.8 21.2 48.6 55.5 266 267 A Q < - 0 0 84 -3,-1.9 -42,-0.1 -4,-0.2 -41,-0.0 -0.971 56.8-164.0-128.3 136.6 22.9 48.8 58.8 267 268 A L 0 0 153 -2,-0.4 -1,-0.1 1,-0.3 -43,-0.1 0.930 360.0 360.0 -78.6 -50.4 25.6 46.5 60.4 268 269 A L 0 0 169 -44,-0.1 -1,-0.3 -45,-0.1 -48,-0.0 -0.890 360.0 360.0-142.6 360.0 25.1 47.8 63.9