==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 19-AUG-10 3OIG . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR K.-H.KIM,B.H.HA,S.J.KIM,S.K.HONG,K.Y.HWANG,E.E.KIM . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 13.1 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 . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 33.5 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 0 0 1 1 3 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 1 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 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 1 A M 0 0 149 0, 0.0 2,-0.3 0, 0.0 235,-0.0 0.000 360.0 360.0 360.0 165.3 35.2 -30.5 118.1 2 2 A N - 0 0 90 2,-0.2 235,-0.6 0, 0.0 236,-0.5 -0.837 360.0-108.5-146.7 173.1 34.3 -34.0 119.1 3 3 A F S S+ 0 0 120 -2,-0.3 2,-0.1 234,-0.1 232,-0.1 0.459 72.4 122.9 -86.0 -5.7 32.4 -37.0 118.0 4 4 A S - 0 0 52 1,-0.1 233,-0.4 29,-0.1 29,-0.2 -0.322 41.9-170.2 -66.9 144.3 29.6 -36.8 120.5 5 5 A L > + 0 0 0 27,-2.9 3,-2.3 24,-0.2 30,-0.3 0.211 38.6 139.5-113.0 15.0 26.0 -36.6 119.4 6 6 A E T 3 S+ 0 0 136 26,-0.6 28,-0.2 1,-0.3 3,-0.1 -0.350 75.1 19.9 -55.7 132.8 24.7 -35.7 122.9 7 7 A G T 3 S+ 0 0 52 26,-0.6 2,-0.5 1,-0.3 -1,-0.3 0.442 98.9 121.1 83.5 5.0 22.0 -33.0 122.5 8 8 A R < - 0 0 63 -3,-2.3 27,-2.5 25,-0.2 2,-0.6 -0.872 52.0-153.2-103.0 129.5 21.5 -33.9 118.8 9 9 A N E -a 35 0A 20 -2,-0.5 80,-2.9 25,-0.2 81,-1.2 -0.876 20.0-175.2 -97.0 120.2 18.0 -35.0 117.6 10 10 A I E -ab 36 90A 1 25,-2.8 27,-2.4 -2,-0.6 2,-0.6 -0.972 19.4-143.1-124.6 129.7 18.4 -37.3 114.6 11 11 A V E -ab 37 91A 0 79,-2.5 81,-3.2 -2,-0.5 2,-0.6 -0.775 12.9-162.5 -88.6 123.1 15.6 -38.7 112.5 12 12 A V E -ab 38 92A 0 25,-3.0 27,-2.3 -2,-0.6 2,-0.5 -0.929 8.4-167.3-112.1 115.5 16.4 -42.2 111.3 13 13 A M E +ab 39 93A 0 79,-3.0 81,-2.0 -2,-0.6 27,-0.2 -0.888 59.2 33.0-107.1 122.2 14.1 -43.2 108.4 14 14 A G + 0 0 24 25,-1.9 2,-0.4 -2,-0.5 8,-0.4 0.569 56.7 150.5 111.1 16.1 13.8 -46.8 107.2 15 15 A V + 0 0 2 24,-0.6 -1,-0.3 -3,-0.4 26,-0.3 -0.619 6.0 157.7 -68.4 131.1 14.2 -49.3 110.0 16 16 A A - 0 0 22 1,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.596 65.9 -20.0-119.1 -43.9 12.2 -52.4 109.1 17 17 A N S > S- 0 0 49 32,-0.0 3,-1.7 31,-0.0 -1,-0.5 -0.903 82.5 -76.2-151.8-171.7 13.9 -55.1 111.2 18 18 A K T 3 S+ 0 0 111 1,-0.3 -3,-0.0 -2,-0.3 178,-0.0 0.607 125.3 59.2 -74.3 -9.7 17.2 -55.7 113.0 19 19 A R T 3 S+ 0 0 138 4,-0.1 -1,-0.3 175,-0.0 5,-0.1 0.568 79.6 116.4 -88.5 -10.9 19.0 -56.4 109.7 20 20 A S S X> S- 0 0 13 -3,-1.7 4,-1.4 1,-0.1 3,-1.1 -0.254 70.7-133.8 -58.3 140.3 18.1 -52.9 108.3 21 21 A I H 3> S+ 0 0 34 1,-0.3 4,-2.4 2,-0.2 3,-0.2 0.902 108.7 62.0 -59.2 -37.1 21.1 -50.7 107.6 22 22 A A H 3> S+ 0 0 1 -8,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.788 98.8 55.2 -57.8 -29.9 19.1 -48.0 109.3 23 23 A W H <> S+ 0 0 13 -3,-1.1 4,-2.4 -6,-0.3 -1,-0.2 0.882 105.9 50.9 -72.6 -34.6 19.2 -50.1 112.5 24 24 A G H X S+ 0 0 1 -4,-1.4 4,-2.0 -3,-0.2 -2,-0.2 0.937 112.9 47.2 -61.7 -45.8 23.0 -50.3 112.3 25 25 A I H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.952 110.1 51.9 -61.2 -48.0 23.0 -46.5 111.9 26 26 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.909 109.2 50.8 -59.0 -42.8 20.5 -46.0 114.9 27 27 A R H X S+ 0 0 73 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.919 112.0 45.8 -59.2 -47.7 22.7 -48.1 117.1 28 28 A S H X S+ 0 0 12 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.906 114.7 47.6 -62.2 -43.1 25.8 -46.2 116.3 29 29 A L H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.3 0.927 111.2 50.3 -66.4 -38.7 24.1 -42.8 116.7 30 30 A H H ><5S+ 0 0 2 -4,-3.0 3,-1.6 -5,-0.2 -1,-0.2 0.904 108.8 52.7 -64.4 -40.7 22.5 -43.8 120.0 31 31 A E H 3<5S+ 0 0 157 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.881 105.9 54.8 -65.3 -30.2 25.9 -45.0 121.3 32 32 A A T 3<5S- 0 0 28 -4,-1.7 -27,-2.9 -5,-0.1 -26,-0.6 0.502 128.0 -99.7 -78.8 -6.7 27.3 -41.6 120.4 33 33 A G T < 5S+ 0 0 8 -3,-1.6 -26,-0.6 -4,-0.3 -3,-0.2 0.418 70.6 147.6 109.4 -1.7 24.6 -39.9 122.5 34 34 A A < - 0 0 0 -5,-2.5 2,-0.5 -28,-0.2 -1,-0.3 -0.360 46.9-129.3 -69.8 151.9 22.0 -38.9 119.9 35 35 A R E -a 9 0A 82 -27,-2.5 -25,-2.8 -30,-0.3 2,-0.4 -0.871 34.4-142.8 -91.3 126.1 18.3 -38.8 120.6 36 36 A L E -a 10 0A 0 -2,-0.5 26,-2.2 -27,-0.2 2,-0.6 -0.771 22.9-166.8-104.0 139.8 16.6 -40.7 117.9 37 37 A I E -ac 11 62A 0 -27,-2.4 -25,-3.0 -2,-0.4 2,-0.4 -0.982 20.3-158.9-112.0 109.7 13.3 -40.3 116.0 38 38 A F E -ac 12 63A 1 24,-3.2 26,-2.9 -2,-0.6 2,-0.4 -0.815 5.0-164.6 -89.4 138.1 12.5 -43.4 114.1 39 39 A T E -ac 13 64A 2 -27,-2.3 -25,-1.9 -2,-0.4 -24,-0.6 -0.926 7.9-174.7-120.5 146.6 10.1 -43.3 111.1 40 40 A Y E - c 0 65A 11 24,-1.7 26,-3.1 -2,-0.4 2,-0.6 -0.909 20.8-130.2-135.9 157.5 8.5 -46.4 109.6 41 41 A A S S+ 0 0 50 -2,-0.3 3,-0.1 -26,-0.3 4,-0.0 -0.927 73.7 23.4-111.7 118.2 6.4 -47.2 106.6 42 42 A G S >> S- 0 0 18 -2,-0.6 3,-2.2 1,-0.1 4,-0.5 0.321 78.7-106.8 110.2 131.7 3.3 -49.3 107.1 43 43 A E G >4 S+ 0 0 141 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.813 113.8 65.9 -60.3 -27.1 1.3 -49.9 110.1 44 44 A R G 34 S+ 0 0 144 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.616 97.3 55.2 -71.6 -14.1 2.6 -53.4 110.5 45 45 A L G <> S+ 0 0 42 -3,-2.2 4,-2.4 2,-0.1 5,-0.3 0.573 83.7 88.1 -86.4 -12.8 6.1 -52.1 111.2 46 46 A E H S+ 0 0 149 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.903 114.0 56.3 -67.2 -33.1 5.3 -52.5 116.8 48 48 A S H > S+ 0 0 35 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.892 111.5 40.9 -56.6 -54.3 8.5 -53.9 115.3 49 49 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.889 112.6 54.6 -72.6 -39.8 10.3 -50.7 115.3 50 50 A H H X S+ 0 0 81 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.934 110.6 47.7 -56.2 -46.3 9.0 -49.7 118.8 51 51 A E H X S+ 0 0 151 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.936 111.7 48.2 -62.3 -47.3 10.3 -53.0 120.1 52 52 A L H >< S+ 0 0 29 -4,-2.3 3,-2.0 1,-0.2 4,-0.2 0.971 111.6 50.7 -59.6 -41.7 13.8 -52.6 118.5 53 53 A A H >< S+ 0 0 5 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.836 101.3 63.7 -62.9 -32.8 14.1 -49.0 119.8 54 54 A G H 3< S+ 0 0 52 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.669 89.9 66.9 -69.1 -11.8 13.2 -50.3 123.2 55 55 A T T << S+ 0 0 97 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.533 80.2 102.6 -81.3 -11.5 16.4 -52.3 123.2 56 56 A L S < S- 0 0 22 -3,-1.8 5,-0.1 -4,-0.2 -29,-0.0 -0.499 83.4-121.2 -74.8 153.5 18.4 -49.1 123.3 57 57 A D S S+ 0 0 121 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.614 96.5 56.0 -83.9 -14.2 19.8 -48.2 126.6 58 58 A R S S- 0 0 70 1,-0.0 2,-0.9 0, 0.0 3,-0.3 -0.979 73.4-146.2-109.4 145.4 18.0 -44.8 126.9 59 59 A N + 0 0 161 -2,-0.4 -5,-0.1 1,-0.2 -2,-0.1 -0.380 68.9 106.7-100.9 53.2 14.2 -44.8 126.6 60 60 A D + 0 0 43 -2,-0.9 -1,-0.2 2,-0.1 2,-0.1 0.339 44.1 123.2-114.8 6.3 14.1 -41.4 124.8 61 61 A S - 0 0 23 -3,-0.3 2,-0.4 -8,-0.2 -24,-0.2 -0.354 47.4-149.1 -73.2 150.5 13.2 -42.5 121.3 62 62 A I E -c 37 0A 11 -26,-2.2 -24,-3.2 -2,-0.1 2,-0.4 -0.947 8.9-160.9-112.8 141.2 10.2 -41.2 119.3 63 63 A I E +c 38 0A 26 -2,-0.4 -24,-0.2 -26,-0.2 -26,-0.0 -0.982 17.6 166.0-128.3 124.6 8.6 -43.5 116.8 64 64 A L E -c 39 0A 19 -26,-2.9 -24,-1.7 -2,-0.4 2,-0.2 -0.966 36.0-110.2-140.0 145.7 6.4 -42.1 114.0 65 65 A P E +c 40 0A 48 0, 0.0 -24,-0.2 0, 0.0 12,-0.1 -0.578 36.3 168.5 -75.3 139.7 4.8 -43.3 110.7 66 66 A C - 0 0 3 -26,-3.1 2,-0.4 -2,-0.2 8,-0.1 -0.532 10.8-179.0-154.4 87.6 6.2 -41.7 107.5 67 67 A D - 0 0 56 1,-0.1 7,-0.3 -2,-0.1 3,-0.2 -0.650 15.9-155.6 -74.9 128.9 5.3 -43.2 104.2 68 68 A V + 0 0 9 -2,-0.4 -1,-0.1 1,-0.1 60,-0.1 0.304 61.5 109.1 -95.5 17.8 7.1 -41.1 101.6 69 69 A T S S- 0 0 72 2,-0.0 2,-0.2 52,-0.0 -1,-0.1 0.896 96.2 -8.2 -61.7 -49.9 4.7 -41.8 98.6 70 70 A N S S- 0 0 104 -3,-0.2 4,-0.4 55,-0.0 3,-0.1 -0.655 87.3 -90.4-124.3-156.8 3.3 -38.4 98.6 71 71 A D S > S+ 0 0 92 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 0.486 97.5 86.5 -93.5 -7.3 3.7 -35.4 101.0 72 72 A A H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.949 93.5 36.0 -71.5 -48.6 0.9 -35.9 103.4 73 73 A E H > S+ 0 0 71 -6,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.808 114.2 60.6 -68.0 -36.1 2.4 -38.2 106.0 74 74 A I H > S+ 0 0 3 -4,-0.4 4,-2.7 -7,-0.3 5,-0.3 0.946 106.8 45.5 -55.8 -49.9 5.7 -36.4 105.6 75 75 A E H X S+ 0 0 144 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.940 114.4 47.7 -60.7 -44.1 3.9 -33.2 106.7 76 76 A T H X S+ 0 0 88 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.941 114.5 47.7 -58.5 -52.8 2.1 -35.0 109.6 77 77 A C H X S+ 0 0 3 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.947 113.3 44.5 -59.7 -49.7 5.4 -36.7 110.8 78 78 A F H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.816 110.0 57.0 -70.5 -29.5 7.6 -33.6 110.7 79 79 A A H X S+ 0 0 55 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.904 108.2 47.7 -64.1 -43.5 4.9 -31.5 112.4 80 80 A S H X S+ 0 0 37 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.896 112.1 49.7 -59.2 -47.9 4.9 -34.1 115.3 81 81 A I H X>S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-1.0 0.936 109.2 51.8 -59.3 -46.5 8.7 -33.9 115.4 82 82 A K H X5S+ 0 0 138 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.937 114.5 42.8 -55.9 -42.4 8.6 -30.1 115.5 83 83 A E H <5S+ 0 0 174 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.869 118.7 44.2 -72.8 -38.0 6.2 -30.1 118.4 84 84 A Q H <5S+ 0 0 99 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.818 134.9 7.9 -77.8 -36.2 8.0 -32.9 120.3 85 85 A V H <5S- 0 0 29 -4,-2.9 2,-1.7 -5,-0.2 -3,-0.2 0.550 78.8-146.5-125.5 -17.7 11.6 -31.8 120.0 86 86 A G S < - 0 0 58 -2,-0.3 3,-1.7 15,-0.2 4,-0.4 -0.476 41.2-134.6 -68.5 128.4 9.0 -53.3 91.6 100 100 A K G > S+ 0 0 161 1,-0.3 3,-1.7 -2,-0.2 -1,-0.2 0.824 99.9 62.5 -59.6 -31.9 10.9 -56.5 92.2 101 101 A E G > S+ 0 0 144 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.713 98.1 59.6 -72.0 -14.6 10.3 -57.9 88.7 102 102 A E G < S+ 0 0 8 -3,-1.7 58,-0.6 1,-0.2 -1,-0.3 0.617 95.6 63.6 -80.9 -8.0 12.2 -55.0 87.3 103 103 A L G < S+ 0 0 48 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.2 -0.068 91.6 75.8-111.6 30.6 15.3 -56.0 89.3 104 104 A V S < S- 0 0 62 -3,-0.6 2,-0.2 2,-0.3 5,-0.1 -0.997 99.5 -16.1-139.1 135.5 15.7 -59.3 87.5 105 105 A G S S+ 0 0 44 -2,-0.3 52,-0.4 3,-0.1 54,-0.1 -0.482 114.1 13.2 69.0-146.8 17.1 -59.8 84.0 106 106 A E > - 0 0 132 -2,-0.2 3,-2.1 1,-0.1 -2,-0.3 -0.343 64.5-127.7 -66.1 149.1 17.4 -56.8 81.7 107 107 A Y G > S+ 0 0 89 1,-0.3 3,-2.3 2,-0.2 53,-0.2 0.853 107.2 74.2 -55.2 -37.3 17.0 -53.2 82.8 108 108 A L G 3 S+ 0 0 136 1,-0.3 -1,-0.3 51,-0.1 -2,-0.1 0.488 70.8 86.1 -63.8 -2.5 14.5 -53.0 79.9 109 109 A N G < S+ 0 0 78 -3,-2.1 -1,-0.3 -7,-0.2 -2,-0.2 0.590 75.6 91.7 -67.7 -10.0 12.1 -55.0 82.2 110 110 A T < - 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f 0 249A 8 -44,-1.5 -42,-0.4 -2,-0.9 59,-0.3 -0.543 14.6-121.5 -81.5 146.4 27.4 -49.3 101.3 192 192 A G - 0 0 7 57,-2.1 -1,-0.1 -2,-0.2 59,-0.1 -0.334 57.9 -62.2 -72.0 169.6 28.7 -52.7 100.0 193 193 A P - 0 0 22 0, 0.0 29,-0.5 0, 0.0 2,-0.3 -0.259 57.7-177.7 -60.6 138.3 26.1 -55.4 99.8 194 194 A I - 0 0 23 -3,-0.1 2,-1.7 27,-0.1 -173,-0.1 -0.994 34.9-114.1-137.4 136.6 24.4 -56.5 103.0 195 195 A R + 0 0 144 -2,-0.3 2,-0.2 3,-0.1 5,-0.0 -0.521 62.8 140.0 -75.2 86.5 21.8 -59.3 103.5 196 196 A T S > S- 0 0 28 -2,-1.7 3,-2.3 -178,-0.0 4,-0.4 -0.551 74.2 -83.9-110.6-179.3 18.8 -57.1 104.5 197 197 A L G > S+ 0 0 97 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 0.858 129.5 61.2 -59.2 -28.8 15.1 -57.4 103.5 198 198 A S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 3,-0.1 -3,-0.1 0.499 94.0 63.4 -81.7 2.0 16.1 -55.4 100.4 199 199 A A G X S+ 0 0 6 -3,-2.3 3,-1.8 2,-0.1 2,-0.3 0.484 73.7 110.5 -93.3 -10.1 18.4 -58.2 99.4 200 200 A K T < S+ 0 0 191 -3,-1.4 3,-0.1 -4,-0.4 -3,-0.0 -0.542 77.6 33.8 -69.1 126.8 15.5 -60.7 99.0 201 201 A G T 3 S+ 0 0 53 1,-0.5 2,-0.3 -2,-0.3 -1,-0.2 0.148 81.9 124.2 111.4 -21.7 15.2 -61.4 95.3 202 202 A I X - 0 0 74 -3,-1.8 3,-0.7 -98,-0.1 -1,-0.5 -0.622 62.3-126.5 -63.3 130.6 18.8 -61.1 94.4 203 203 A S T 3 S- 0 0 74 -2,-0.3 5,-0.2 1,-0.3 -1,-0.0 -0.670 83.9 -2.0 -81.8 143.0 19.8 -64.4 92.6 204 204 A D T >> S+ 0 0 114 -2,-0.3 4,-1.8 1,-0.1 3,-1.1 0.867 76.1 165.0 50.0 40.9 22.8 -66.3 93.9 205 205 A F H <> S+ 0 0 10 -3,-0.7 4,-2.9 1,-0.3 5,-0.2 0.865 72.3 61.9 -56.8 -36.3 23.4 -63.6 96.6 206 206 A N H 3> S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.863 103.5 49.8 -52.8 -39.5 25.8 -66.0 98.4 207 207 A S H <> S+ 0 0 53 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.909 109.7 50.6 -68.9 -39.0 27.9 -66.0 95.3 208 208 A I H X S+ 0 0 57 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.934 113.0 45.9 -62.2 -50.2 28.0 -62.1 95.2 209 209 A L H X S+ 0 0 27 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.903 111.9 51.1 -65.3 -40.3 29.0 -62.0 98.9 210 210 A K H X S+ 0 0 113 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.909 108.7 51.7 -61.1 -41.9 31.7 -64.7 98.4 211 211 A D H X S+ 0 0 77 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.895 108.3 52.0 -62.8 -41.4 33.1 -62.8 95.5 212 212 A I H X S+ 0 0 7 -4,-2.3 4,-2.8 1,-0.2 8,-0.3 0.938 106.2 53.8 -59.9 -42.2 33.3 -59.6 97.6 213 213 A E H < S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.860 116.6 38.5 -60.5 -31.9 35.1 -61.5 100.2 214 214 A E H < S+ 0 0 84 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.829 125.3 34.7 -82.6 -36.9 37.7 -62.6 97.6 215 215 A R H < S+ 0 0 65 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.773 91.8 94.6 -96.0 -33.0 37.9 -59.4 95.6 216 216 A A S >< S- 0 0 0 -4,-2.8 3,-2.0 -5,-0.3 36,-0.2 -0.378 78.5-124.5 -65.8 140.7 37.5 -56.6 98.1 217 217 A P T 3 S+ 0 0 56 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 0.858 111.9 47.1 -45.4 -50.5 40.8 -55.1 99.4 218 218 A L T 3 S- 0 0 90 33,-2.3 34,-0.1 2,-0.2 33,-0.1 0.425 104.1-132.1 -82.1 -0.8 39.7 -55.8 103.0 219 219 A R S < S+ 0 0 161 -3,-2.0 2,-0.3 32,-0.3 -6,-0.2 0.822 72.2 87.1 65.8 34.1 38.6 -59.4 102.2 220 220 A R S S- 0 0 125 -8,-0.3 -2,-0.2 31,-0.2 2,-0.2 -0.982 75.5-110.4-160.8 151.1 35.3 -59.1 104.0 221 221 A T - 0 0 36 -2,-0.3 30,-0.1 1,-0.1 -27,-0.1 -0.537 45.9 -89.8 -82.0 162.7 31.7 -58.0 103.3 222 222 A T - 0 0 8 -29,-0.5 -1,-0.1 -2,-0.2 28,-0.1 -0.281 34.8-152.1 -74.6 151.5 30.2 -54.9 104.9 223 223 A T > - 0 0 48 1,-0.1 4,-1.7 -29,-0.1 3,-0.3 -0.843 26.4-119.3-115.6 158.0 28.3 -54.8 108.1 224 224 A P H > S+ 0 0 21 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.834 115.7 58.3 -60.4 -29.7 25.5 -52.5 109.3 225 225 A E H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.866 102.0 52.7 -71.2 -31.6 27.8 -51.4 112.1 226 226 A E H > S+ 0 0 55 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.894 113.7 44.3 -64.0 -44.7 30.5 -50.3 109.7 227 227 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.938 113.1 51.6 -65.3 -43.9 27.9 -48.2 107.9 228 228 A G H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.870 108.0 50.8 -58.3 -44.1 26.6 -46.9 111.2 229 229 A D H X S+ 0 0 104 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.891 110.8 48.3 -69.7 -31.4 30.0 -45.9 112.5 230 230 A T H X S+ 0 0 34 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.913 110.8 52.0 -72.7 -38.6 30.7 -43.9 109.3 231 231 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.930 104.2 56.9 -65.1 -36.4 27.2 -42.3 109.6 232 232 A A H X S+ 0 0 15 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.930 107.8 48.7 -59.0 -38.6 28.0 -41.3 113.2 233 233 A F H < S+ 0 0 59 -4,-1.6 6,-0.6 1,-0.2 -1,-0.2 0.938 110.2 50.5 -61.2 -48.3 31.1 -39.4 111.9 234 234 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.845 112.5 46.1 -62.6 -32.7 28.9 -37.7 109.2 235 235 A F H < S+ 0 0 8 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.768 103.8 82.3 -80.7 -23.5 26.4 -36.5 111.7 236 236 A S S >< S- 0 0 0 -4,-1.7 3,-1.4 -5,-0.3 -233,-0.1 -0.299 91.7-112.9 -75.5 164.4 29.1 -35.3 114.1 237 237 A D G > S+ 0 0 43 -235,-0.6 3,-1.7 -233,-0.4 -234,-0.1 0.644 106.2 81.7 -70.4 -12.2 31.0 -32.1 114.0 238 238 A M G 3 S+ 0 0 71 -236,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.724 94.0 47.1 -61.9 -27.7 34.1 -33.9 113.1 239 239 A S G X S+ 0 0 1 -3,-1.4 3,-2.5 -6,-0.6 -1,-0.3 0.144 73.4 123.6-100.5 18.9 32.9 -34.1 109.5 240 240 A R T < + 0 0 139 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.647 69.4 56.5 -64.3 -16.1 31.9 -30.4 109.2 241 241 A G T 3 S+ 0 0 80 -3,-0.3 2,-0.6 -4,-0.1 -1,-0.3 0.445 93.6 86.8 -83.6 -2.9 34.2 -29.7 106.2 242 242 A I < + 0 0 52 -3,-2.5 2,-0.3 -8,-0.1 -3,-0.1 -0.902 46.3 142.1-108.3 120.3 32.5 -32.5 104.2 243 243 A T + 0 0 65 -2,-0.6 -56,-0.2 -58,-0.1 3,-0.1 -0.987 62.6 25.9-151.6 153.1 29.3 -32.0 102.1 244 244 A G S S+ 0 0 26 -58,-2.9 2,-0.2 -2,-0.3 -57,-0.2 0.676 91.2 136.7 72.1 14.3 28.1 -33.3 98.8 245 245 A E - 0 0 103 -59,-0.2 -57,-2.9 -73,-0.1 2,-0.5 -0.639 49.3-148.6 -98.5 157.3 30.4 -36.4 99.3 246 246 A N E -f 188 0A 33 -2,-0.2 2,-0.6 -59,-0.2 -57,-0.2 -0.967 15.9-161.5-123.9 107.6 29.8 -40.1 98.7 247 247 A L E -f 189 0A 38 -59,-2.9 -57,-2.6 -2,-0.5 2,-0.6 -0.837 11.5-141.3 -96.1 119.3 31.7 -42.2 101.1 248 248 A H E +f 190 0A 52 -2,-0.6 2,-0.6 -59,-0.2 -57,-0.2 -0.709 20.1 179.7 -82.4 121.8 32.1 -45.9 100.1 249 249 A V E +f 191 0A 18 -59,-2.3 -57,-2.1 -2,-0.6 -22,-0.1 -0.822 46.2 113.9-117.0 82.7 31.8 -48.2 103.1 250 250 A D S > S- 0 0 9 -2,-0.6 3,-1.8 -59,-0.3 -1,-0.1 0.070 93.8 -96.0-147.0 18.3 32.3 -51.4 101.0 251 251 A S T 3 S- 0 0 9 1,-0.3 -33,-2.3 2,-0.1 -32,-0.3 0.656 82.8 -62.9 67.0 16.8 35.6 -52.9 102.1 252 252 A G T > S+ 0 0 15 -35,-0.2 3,-2.1 -36,-0.2 4,-0.3 0.437 98.4 135.9 88.3 3.1 37.3 -51.1 99.2 253 253 A F G X + 0 0 30 -3,-1.8 3,-2.4 1,-0.3 -2,-0.1 0.869 59.8 69.6 -56.6 -36.5 35.4 -53.0 96.6 254 254 A H G 3 S+ 0 0 78 1,-0.3 -1,-0.3 -4,-0.0 -3,-0.0 0.675 93.6 56.9 -54.0 -23.5 34.7 -49.7 94.6 255 255 A I G < S+ 0 0 120 -3,-2.1 2,-0.3 2,-0.0 -1,-0.3 0.502 94.2 84.8 -90.9 -1.2 38.4 -49.4 93.6 256 256 A T < - 0 0 39 -3,-2.4 3,-0.1 -4,-0.3 -40,-0.0 -0.710 49.0-173.0-104.3 155.9 38.5 -52.9 91.9 257 257 A A - 0 0 90 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.656 69.7 -7.9-114.7 -29.0 37.6 -53.9 88.4 258 258 A R - 0 0 188 -43,-0.1 2,-0.5 0, 0.0 -1,-0.3 -0.988 68.7 -96.7-162.9 168.3 37.9 -57.7 88.6 259 259 A L 0 0 66 -2,-0.3 -44,-0.1 -3,-0.1 -43,-0.0 -0.842 360.0 360.0 -93.8 125.6 39.0 -60.7 90.7 260 260 A E 0 0 217 -2,-0.5 -1,-0.0 -45,-0.1 0, 0.0 -0.391 360.0 360.0 -57.7 360.0 42.5 -61.9 89.7