==== 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 22-AUG-10 3OJF . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE (FABL) (NA . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR S.J.KIM,B.H.HA,K.H.KIM,S.K.HONG,S.W.SUH,E.E.KIM . 1025 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 776 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 13.6 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 0.1 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 . 69 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 350 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.1 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 1 1 4 13 4 1 1 3 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 6 10 4 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 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 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 1 A M 0 0 127 0, 0.0 31,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 -29.2 58.6 1.8 153.6 2 2 A E + 0 0 135 30,-0.1 31,-0.1 1,-0.1 30,-0.1 0.795 360.0 75.6 49.5 147.1 60.5 -0.9 151.6 3 3 A L S S+ 0 0 47 29,-0.1 233,-0.4 2,-0.1 29,-0.2 -0.524 118.4 31.2 113.6 -52.1 60.9 -1.9 147.9 4 4 A L S > S+ 0 0 0 27,-3.1 3,-1.9 24,-0.2 30,-0.2 -0.027 93.5 154.1-108.9 31.7 63.4 1.0 147.3 5 5 A Q T 3 + 0 0 109 1,-0.3 28,-0.2 26,-0.1 27,-0.1 -0.373 67.5 9.4 -62.4 124.8 64.5 0.6 150.9 6 6 A G T 3 S+ 0 0 62 26,-0.9 2,-0.3 1,-0.3 -1,-0.3 0.586 102.6 118.5 85.8 11.5 68.1 1.8 151.3 7 7 A K < - 0 0 62 -3,-1.9 27,-3.2 25,-0.2 2,-0.5 -0.823 50.4-146.3-111.1 155.4 68.4 3.3 147.9 8 8 A T E -a 34 0A 10 -2,-0.3 80,-3.5 25,-0.2 81,-0.8 -0.968 14.3-172.3-122.7 130.9 69.1 6.9 146.8 9 9 A F E -ab 35 89A 0 25,-2.5 27,-2.5 -2,-0.5 2,-0.5 -0.937 20.7-135.9-119.5 139.9 67.7 8.6 143.7 10 10 A V E -ab 36 90A 0 79,-2.3 81,-2.9 -2,-0.4 2,-0.6 -0.810 19.4-161.3 -85.0 125.1 68.4 11.9 142.0 11 11 A V E -ab 37 91A 0 25,-3.4 27,-1.9 -2,-0.5 2,-0.5 -0.949 9.2-170.6-106.8 116.4 65.1 13.6 140.9 12 12 A M E +ab 38 92A 0 79,-2.9 81,-2.1 -2,-0.6 27,-0.1 -0.935 59.3 33.0-111.4 126.4 65.6 16.3 138.2 13 13 A G + 0 0 25 25,-1.0 2,-0.4 -2,-0.5 8,-0.3 0.520 60.8 149.6 113.5 10.2 63.0 18.7 137.1 14 14 A V + 0 0 4 24,-0.5 -1,-0.3 -3,-0.3 34,-0.1 -0.634 5.8 156.8 -65.0 124.6 60.7 19.4 140.1 15 15 A A - 0 0 25 1,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.531 64.9 -19.0-121.9 -23.9 59.4 23.0 139.6 16 16 A N S > S- 0 0 25 31,-0.1 3,-1.7 32,-0.0 -1,-0.5 -0.948 82.7 -75.1-165.6-171.6 56.1 22.9 141.8 17 17 A Q T 3 S+ 0 0 138 1,-0.3 -3,-0.0 -2,-0.3 178,-0.0 0.631 125.7 56.1 -75.2 -9.7 53.7 20.5 143.3 18 18 A R T 3 S+ 0 0 88 4,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.514 79.6 120.4 -92.9 -7.1 52.1 19.7 139.9 19 19 A S X> - 0 0 11 -3,-1.7 4,-1.4 1,-0.2 3,-0.6 -0.259 68.0-135.0 -57.6 140.4 55.5 18.7 138.4 20 20 A I H 3> S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.931 108.6 61.3 -61.7 -40.3 55.5 15.1 137.1 21 21 A A H 3> S+ 0 0 2 -8,-0.3 4,-2.8 1,-0.3 -1,-0.2 0.774 101.2 51.9 -54.5 -29.3 58.9 14.8 138.9 22 22 A W H <> S+ 0 0 12 -3,-0.6 4,-2.1 2,-0.2 -1,-0.3 0.848 105.9 52.4 -80.1 -30.7 57.2 15.6 142.1 23 23 A G H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.4 -2,-0.2 0.952 113.8 46.9 -63.0 -40.5 54.6 12.8 141.5 24 24 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.931 108.6 52.3 -67.4 -49.2 57.7 10.7 141.0 25 25 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.886 110.2 50.4 -50.4 -42.6 59.6 12.0 144.1 26 26 A R H X S+ 0 0 68 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.956 111.2 46.6 -67.6 -46.2 56.5 11.1 146.3 27 27 A S H < S+ 0 0 8 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.909 113.8 48.5 -61.4 -42.2 56.2 7.6 145.0 28 28 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 3,-0.9 0.918 112.9 48.3 -64.9 -40.4 59.9 6.9 145.4 29 29 A H H ><5S+ 0 0 26 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.911 107.9 53.5 -64.9 -44.2 59.7 8.3 148.9 30 30 A N T 3<5S+ 0 0 101 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.522 105.0 57.4 -67.2 -6.1 56.7 6.2 149.8 31 31 A A T < 5S- 0 0 10 -3,-0.9 -27,-3.1 -4,-0.5 -1,-0.3 0.252 126.9 -98.4-108.0 7.9 58.7 3.2 148.6 32 32 A G T < 5S+ 0 0 11 -3,-2.0 -26,-0.9 1,-0.3 -25,-0.2 0.435 74.0 143.8 101.1 3.5 61.5 3.9 151.1 33 33 A A < - 0 0 5 -5,-2.3 2,-0.3 -28,-0.2 -1,-0.3 -0.364 47.1-129.9 -75.4 152.9 64.0 5.7 148.9 34 34 A K E -a 8 0A 102 -27,-3.2 -25,-2.5 -30,-0.2 2,-0.4 -0.814 31.7-142.5 -94.5 149.1 66.2 8.6 149.9 35 35 A L E -a 9 0A 8 -2,-0.3 26,-0.4 -27,-0.2 2,-0.4 -0.945 22.4-169.2-127.6 138.8 66.1 11.5 147.6 36 36 A I E -a 10 0A 4 -27,-2.5 -25,-3.4 -2,-0.4 2,-0.4 -0.964 21.5-156.4-115.2 134.6 68.4 14.2 146.1 37 37 A F E -ac 11 62A 1 24,-2.4 26,-2.4 -2,-0.4 2,-0.3 -0.862 7.5-164.9-114.1 145.2 66.7 17.1 144.2 38 38 A T E -ac 12 63A 2 -27,-1.9 -25,-1.0 -2,-0.4 -24,-0.5 -0.937 7.2-178.8-122.1 159.0 68.0 19.4 141.5 39 39 A Y E - c 0 64A 25 24,-1.6 26,-3.2 -2,-0.3 2,-0.5 -0.953 19.6-135.9-140.8 154.0 66.6 22.7 140.2 40 40 A A + 0 0 50 -2,-0.3 2,-0.3 24,-0.2 3,-0.1 -0.802 65.2 25.6-121.4 109.8 67.6 25.2 137.6 41 41 A G S S- 0 0 48 -2,-0.5 -2,-0.1 1,-0.2 3,-0.1 -0.955 84.7 -85.7 163.7-162.1 67.5 28.9 138.3 42 42 A E S > S+ 0 0 170 -2,-0.3 3,-0.9 1,-0.1 2,-0.7 0.816 109.0 35.1 -88.4 -63.1 67.7 31.1 141.2 43 43 A R T 3 S+ 0 0 165 1,-0.3 -1,-0.1 2,-0.2 4,-0.0 -0.631 99.4 58.2-123.1 76.7 64.1 31.1 142.3 44 44 A L T 3> S+ 0 0 63 -2,-0.7 4,-2.0 -3,-0.1 -1,-0.3 -0.321 84.6 103.7-124.3 23.9 62.1 28.3 142.1 45 45 A E H <> S+ 0 0 79 -3,-0.9 4,-3.3 2,-0.2 2,-0.4 0.978 81.7 43.0 -55.9 -63.3 65.0 27.1 144.3 46 46 A R H 4 S+ 0 0 156 2,-0.2 2,-0.2 3,-0.2 -4,-0.0 -0.776 104.4 60.0 -78.4 144.1 62.8 27.3 147.3 47 47 A N H > S+ 0 0 49 -2,-0.4 4,-2.9 -4,-0.0 -1,-0.2 -0.800 114.9 39.9 112.8 -73.4 59.7 25.8 145.9 48 48 A V H X S+ 0 0 0 -4,-2.0 4,-3.4 -2,-0.2 -2,-0.2 0.976 118.2 47.7 -63.7 -54.1 61.9 22.8 145.4 49 49 A R H X S+ 0 0 56 -4,-3.3 4,-1.9 1,-0.2 -3,-0.2 0.867 115.7 45.4 -54.3 -43.6 63.6 23.4 148.8 50 50 A E H > S+ 0 0 105 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.899 112.9 49.2 -69.9 -41.9 60.2 23.8 150.4 51 51 A L H >X S+ 0 0 7 -4,-2.9 3,-1.3 1,-0.2 4,-0.5 0.962 110.2 51.5 -60.8 -50.1 58.7 20.7 148.6 52 52 A A H >< S+ 0 0 4 -4,-3.4 3,-2.8 1,-0.3 -1,-0.2 0.941 102.9 61.6 -45.6 -49.4 61.6 18.6 149.6 53 53 A D H 3< S+ 0 0 100 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.696 92.5 63.4 -57.2 -27.9 61.1 19.8 153.2 54 54 A T H << S+ 0 0 91 -3,-1.3 2,-0.3 -4,-0.9 -1,-0.3 0.671 78.2 103.3 -69.3 -20.8 57.6 18.2 153.4 55 55 A L S << S- 0 0 21 -3,-2.8 5,-0.1 -4,-0.5 -29,-0.0 -0.565 77.1-129.1 -74.4 130.4 59.1 14.7 152.9 56 56 A E S S+ 0 0 135 -2,-0.3 -1,-0.1 3,-0.0 3,-0.0 0.802 72.2 39.2 -55.2 -58.0 59.1 13.1 156.3 57 57 A G S S- 0 0 57 1,-0.1 3,-0.1 2,-0.0 -23,-0.0 0.753 104.8 -1.3 -74.5-131.7 62.6 11.7 157.2 58 58 A Q S S- 0 0 163 1,-0.1 2,-0.1 0, 0.0 -1,-0.1 -0.184 82.8 -98.0 -49.9 147.9 66.1 12.9 156.7 59 59 A E - 0 0 151 1,-0.1 2,-0.3 -3,-0.0 -1,-0.1 -0.414 39.8-122.9 -72.0 152.6 66.5 16.2 154.8 60 60 A S - 0 0 13 -11,-0.1 2,-0.3 -2,-0.1 -24,-0.2 -0.744 17.4-113.5-101.8 142.2 67.3 16.0 151.1 61 61 A L - 0 0 54 -26,-0.4 -24,-2.4 -2,-0.3 2,-0.4 -0.610 32.1-162.6 -65.7 136.1 70.3 17.4 149.4 62 62 A V E +c 37 0A 20 -2,-0.3 -24,-0.2 -26,-0.2 -13,-0.0 -0.990 13.6 177.0-130.1 123.3 69.1 20.1 147.0 63 63 A L E -c 38 0A 22 -26,-2.4 -24,-1.6 -2,-0.4 2,-0.3 -0.926 32.5-111.6-137.8 138.1 71.5 21.2 144.3 64 64 A P E +c 39 0A 56 0, 0.0 -24,-0.2 0, 0.0 12,-0.1 -0.614 38.1 169.8 -73.7 132.0 71.5 23.7 141.3 65 65 A C + 0 0 4 -26,-3.2 2,-0.7 -2,-0.3 -25,-0.1 -0.460 13.7 177.2-148.5 78.6 71.7 21.9 137.9 66 66 A D > - 0 0 58 1,-0.2 3,-2.5 -25,-0.1 7,-0.3 -0.651 19.9-155.2 -73.9 112.1 71.1 23.8 134.7 67 67 A V T 3 S+ 0 0 7 -2,-0.7 -1,-0.2 1,-0.3 60,-0.1 0.603 90.8 69.9 -77.8 -6.2 71.7 21.0 132.1 68 68 A T T 3 S+ 0 0 55 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.578 92.1 72.7 -74.1 -12.1 72.6 23.7 129.7 69 69 A N <> - 0 0 63 -3,-2.5 4,-1.8 1,-0.2 3,-0.2 -0.890 62.3-164.1-120.4 107.1 75.7 24.2 131.7 70 70 A D H > S+ 0 0 88 -2,-0.6 4,-2.8 1,-0.2 3,-0.3 0.924 92.4 51.3 -54.6 -49.3 78.6 21.7 131.7 71 71 A E H > S+ 0 0 144 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.914 109.9 49.7 -56.4 -40.4 80.3 23.1 134.8 72 72 A E H > S+ 0 0 66 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.838 110.7 50.2 -69.6 -34.6 77.0 22.9 136.8 73 73 A L H X S+ 0 0 3 -4,-1.8 4,-2.0 -3,-0.3 5,-0.3 0.953 113.6 45.1 -65.6 -48.2 76.4 19.3 135.7 74 74 A T H X S+ 0 0 50 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.923 114.7 48.8 -61.6 -46.7 79.9 18.3 136.7 75 75 A A H X S+ 0 0 50 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.874 109.6 52.0 -63.6 -39.5 79.6 20.1 140.0 76 76 A C H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.966 115.6 37.3 -65.5 -51.9 76.3 18.6 140.9 77 77 A F H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.860 115.4 55.9 -75.3 -31.7 77.2 14.9 140.4 78 78 A E H X S+ 0 0 84 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.936 108.5 47.9 -53.7 -49.2 80.6 15.6 141.8 79 79 A T H X S+ 0 0 48 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.866 109.7 52.7 -63.7 -37.8 78.9 17.0 144.9 80 80 A I H X>S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-1.2 0.923 109.8 50.3 -61.8 -42.7 76.7 13.9 145.0 81 81 A K H X5S+ 0 0 108 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.947 113.1 43.4 -60.9 -49.2 79.8 11.8 144.9 82 82 A Q H <5S+ 0 0 151 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.899 120.7 42.0 -62.8 -39.7 81.5 13.6 147.8 83 83 A E H <5S+ 0 0 106 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.938 135.6 4.0 -80.3 -48.5 78.4 13.7 149.9 84 84 A V H <5S- 0 0 57 -4,-2.6 2,-2.3 -5,-0.2 -3,-0.2 0.490 78.0-148.0-122.1 -8.3 76.7 10.2 149.6 85 85 A G S < - 0 0 68 15,-0.3 3,-1.8 -2,-0.3 4,-0.4 -0.503 39.1-131.2 -62.8 129.4 60.9 28.5 122.9 99 99 A R G > S+ 0 0 147 1,-0.3 3,-1.4 -2,-0.2 -1,-0.1 0.761 103.6 60.6 -53.5 -36.0 57.1 29.0 123.4 100 100 A D G 3 S+ 0 0 130 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.619 97.6 61.4 -70.0 -19.8 56.7 30.7 119.9 101 101 A D G < S+ 0 0 21 -3,-1.8 58,-0.6 1,-0.2 2,-0.4 0.669 89.2 73.0 -76.8 -14.7 58.0 27.4 118.3 102 102 A L S < S+ 0 0 60 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 -0.174 96.6 50.8 -98.6 43.3 55.0 25.5 119.9 103 103 A K S S+ 0 0 107 -3,-0.4 98,-0.0 -2,-0.4 52,-0.0 -0.931 95.0 18.6-161.9 161.7 52.4 27.0 117.5 104 104 A G S S- 0 0 51 -2,-0.3 2,-0.5 54,-0.0 52,-0.3 -0.191 106.3 -13.8 68.2-156.4 52.1 27.4 113.8 105 105 A E > - 0 0 40 1,-0.1 3,-1.7 53,-0.0 4,-0.1 -0.679 48.8-141.9 -88.8 131.5 54.1 25.4 111.3 106 106 A F G > S+ 0 0 0 -2,-0.5 3,-2.6 324,-0.3 -1,-0.1 0.873 97.9 71.5 -48.4 -35.3 57.1 23.4 112.3 107 107 A V G 3 S+ 0 0 1 1,-0.3 -1,-0.2 323,-0.2 280,-0.2 0.729 91.6 59.8 -63.7 -18.3 58.9 24.4 109.0 108 108 A D G < S+ 0 0 73 -3,-1.7 -1,-0.3 -7,-0.1 2,-0.2 0.360 74.7 125.2 -90.1 7.7 59.2 27.9 110.4 109 109 A T < - 0 0 3 -3,-2.6 278,-0.1 -4,-0.1 -8,-0.0 -0.479 61.1-125.2 -67.0 130.2 61.3 26.9 113.5 110 110 A S > - 0 0 50 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.316 15.3-116.2 -79.5 162.3 64.6 28.8 113.6 111 111 A R H > S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.945 118.0 48.8 -57.9 -52.6 67.9 27.0 113.8 112 112 A D H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 110.9 50.8 -56.8 -43.3 68.6 28.5 117.3 113 113 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -15,-0.3 0.891 111.7 48.8 -59.0 -39.3 65.1 27.4 118.5 114 114 A F H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.944 114.0 43.6 -66.5 -50.7 65.7 23.8 117.1 115 115 A L H X S+ 0 0 32 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.855 110.4 55.9 -69.4 -34.6 69.1 23.4 118.8 116 116 A L H X S+ 0 0 49 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.958 109.9 45.6 -58.2 -52.3 67.9 25.0 122.0 117 117 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.891 115.7 46.3 -60.5 -43.2 65.1 22.3 122.3 118 118 A Q H X>S+ 0 0 0 -4,-2.1 5,-3.0 3,-0.2 4,-1.7 0.914 111.8 53.3 -62.5 -45.0 67.5 19.4 121.4 119 119 A N H <>S+ 0 0 18 -4,-3.1 5,-1.2 3,-0.2 -2,-0.2 0.968 121.9 26.0 -54.3 -61.6 70.1 20.8 123.8 120 120 A I H <5S+ 0 0 24 -4,-2.5 -2,-0.2 -24,-0.2 -1,-0.2 0.900 129.4 38.7 -73.2 -40.9 67.8 20.9 126.9 121 121 A S H <5S+ 0 0 0 -4,-2.4 -3,-0.2 -25,-0.4 -1,-0.2 0.612 132.9 12.2 -91.4 -17.9 65.1 18.2 126.0 122 122 A A T >X5S+ 0 0 0 -4,-1.7 3,-1.2 -5,-0.3 4,-0.8 0.664 122.9 48.6-125.5 -59.1 67.3 15.5 124.4 123 123 A F H >> S+ 0 0 0 -3,-1.2 4,-2.7 1,-0.2 -1,-0.3 0.910 109.0 45.1 -53.5 -45.6 69.7 13.0 129.2 126 126 A T H < S+ 0 0 20 -4,-1.7 3,-0.6 1,-0.2 4,-0.5 0.897 115.4 51.6 -60.0 -41.7 77.8 12.1 135.1 132 132 A A H >X S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.2 4,-1.3 0.832 95.1 71.8 -68.1 -32.6 75.5 9.5 136.7 133 133 A K H 3< S+ 0 0 57 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.891 96.0 52.4 -47.6 -46.0 77.6 6.6 135.3 134 134 A K T << S+ 0 0 115 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.655 113.8 39.7 -75.2 -9.3 80.3 7.4 137.8 135 135 A V T <4 S+ 0 0 2 -3,-1.4 -48,-2.1 -4,-0.5 2,-1.5 0.514 92.5 86.6-111.3 -4.0 78.2 7.4 140.9 136 136 A M >< + 0 0 5 -4,-1.3 3,-1.2 -3,-0.5 -1,-0.1 -0.535 51.6 156.1 -95.9 72.2 76.0 4.4 140.0 137 137 A T T 3 S+ 0 0 102 -2,-1.5 -1,-0.2 1,-0.3 3,-0.1 0.750 71.4 37.1 -79.2 -31.8 78.5 2.0 141.4 138 138 A E T 3 S- 0 0 137 -51,-0.4 -1,-0.3 1,-0.4 -2,-0.1 0.039 115.0-116.0-104.2 15.2 76.1 -0.8 142.1 139 139 A G < + 0 0 7 -3,-1.2 -1,-0.4 -6,-0.1 2,-0.3 -0.207 48.2 153.3 81.0-171.9 74.0 -0.2 138.9 140 140 A G E - 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