==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-MAY-13 4BO4 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.D.CUKIER,R.SCHNELL,Y.LINDQVIST,G.SCHNEIDER . 977 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 763 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 0 0.0 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 . 80 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 388 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 2 0 1 1 2 1 0 2 6 4 4 0 0 0 0 0 0 0 0 0 0 3 5 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 8 8 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 Q > 0 0 217 0, 0.0 3,-0.6 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 69.8 -13.1 -11.7 69.5 2 0 A S T 3 + 0 0 49 1,-0.2 215,-0.6 3,-0.0 216,-0.4 0.536 360.0 65.7 -78.8 -7.5 -11.7 -13.1 66.2 3 1 A M T 3 S+ 0 0 30 213,-0.1 -1,-0.2 214,-0.1 2,-0.1 0.226 73.0 136.3-102.4 10.4 -12.2 -9.6 64.8 4 2 A S < + 0 0 53 -3,-0.6 213,-0.3 1,-0.1 27,-0.2 -0.414 30.6 178.0 -68.8 134.2 -9.6 -8.1 67.0 5 3 A L > + 0 0 3 25,-3.3 3,-2.3 22,-0.2 28,-0.2 0.038 30.1 147.7-115.8 19.0 -7.2 -5.6 65.4 6 4 A Q T 3 + 0 0 144 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.267 68.4 24.2 -50.6 132.4 -5.5 -4.9 68.8 7 5 A G T 3 S+ 0 0 78 24,-0.6 2,-0.4 1,-0.3 -1,-0.3 0.353 99.6 114.1 89.8 -7.5 -1.8 -4.2 68.0 8 6 A K < - 0 0 51 -3,-2.3 25,-2.9 23,-0.2 2,-0.5 -0.779 56.8-142.8-101.2 146.2 -2.4 -3.0 64.5 9 7 A V E -a 33 0A 17 75,-0.4 78,-1.7 -2,-0.4 77,-1.5 -0.909 19.9-165.6-104.5 129.9 -1.9 0.4 63.0 10 8 A A E -ab 34 87A 0 23,-3.2 25,-3.3 -2,-0.5 2,-0.5 -0.950 11.5-158.0-122.2 131.6 -4.5 1.6 60.4 11 9 A L E -ab 35 88A 1 76,-2.8 78,-3.3 -2,-0.4 2,-0.5 -0.938 12.0-177.6-107.5 121.1 -4.3 4.5 58.0 12 10 A V E -ab 36 89A 0 23,-2.5 25,-1.8 -2,-0.5 3,-0.4 -0.969 12.8-153.4-122.1 112.7 -7.7 5.7 56.7 13 11 A T E S+a 37 0A 1 76,-2.4 78,-0.3 -2,-0.5 25,-0.1 -0.552 77.0 26.7 -84.3 152.5 -7.5 8.5 54.2 14 12 A G S S+ 0 0 21 23,-0.6 3,-0.4 -2,-0.2 6,-0.3 0.890 77.4 148.1 67.7 43.7 -10.5 10.9 53.9 15 13 A A + 0 0 4 22,-2.0 23,-0.1 -3,-0.4 -1,-0.1 0.295 35.7 93.0 -98.5 6.7 -11.6 10.3 57.5 16 14 A S S S+ 0 0 35 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.615 95.0 2.4 -81.0 -7.8 -13.1 13.7 58.5 17 15 A R S >> S- 0 0 130 -3,-0.4 4,-1.4 161,-0.0 3,-0.8 -0.996 102.6 -4.0-166.1 167.6 -16.7 12.7 57.5 18 16 A G H 3> S+ 0 0 20 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.115 120.2 1.9 47.5-129.0 -19.2 10.2 56.3 19 17 A I H 3> S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 134.5 51.0 -60.4 -46.2 -17.9 6.9 55.1 20 18 A G H <> S+ 0 0 0 -3,-0.8 4,-2.5 -6,-0.3 -1,-0.2 0.922 111.0 47.9 -58.4 -47.1 -14.3 7.6 56.0 21 19 A Q H X S+ 0 0 56 -4,-1.4 4,-2.1 -7,-0.2 -1,-0.2 0.899 111.5 50.9 -57.6 -44.4 -15.2 8.7 59.5 22 20 A A H X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.887 109.7 50.4 -65.6 -37.2 -17.3 5.6 60.0 23 21 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.932 108.1 52.7 -65.0 -45.3 -14.5 3.4 58.8 24 22 A A H X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.911 112.4 45.4 -56.5 -43.7 -12.0 5.1 61.2 25 23 A L H X S+ 0 0 39 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.843 110.9 52.0 -71.2 -34.6 -14.4 4.5 64.1 26 24 A E H X S+ 0 0 10 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.907 110.9 47.5 -69.9 -39.5 -15.2 0.9 63.2 27 25 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 -2,-0.2 0.862 113.8 48.0 -68.8 -36.4 -11.5 0.0 63.0 28 26 A G H ><5S+ 0 0 11 -4,-1.7 3,-2.8 -5,-0.3 -2,-0.2 0.924 105.8 57.4 -66.8 -45.0 -10.9 1.7 66.3 29 27 A R H 3<5S+ 0 0 118 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.842 104.9 53.1 -51.7 -35.1 -13.9 -0.1 67.8 30 28 A L T 3<5S- 0 0 18 -4,-1.4 -25,-3.3 -5,-0.1 -24,-0.4 0.328 128.9 -98.6 -86.0 3.6 -12.0 -3.3 66.8 31 29 A G T < 5S+ 0 0 21 -3,-2.8 -24,-0.6 1,-0.3 -3,-0.2 0.498 73.9 139.0 99.5 7.6 -8.9 -2.2 68.7 32 30 A A < - 0 0 5 -5,-2.3 2,-0.6 -26,-0.2 25,-0.3 -0.403 58.1-116.6 -77.6 160.7 -6.6 -0.7 66.0 33 31 A V E -a 9 0A 37 -25,-2.9 -23,-3.2 -28,-0.2 2,-0.5 -0.909 41.4-150.6 -91.7 122.8 -4.6 2.4 66.4 34 32 A V E -ac 10 58A 0 23,-2.4 25,-2.2 -2,-0.6 2,-0.6 -0.844 22.6-171.5-110.5 126.0 -6.1 4.7 63.8 35 33 A I E -ac 11 59A 0 -25,-3.3 -23,-2.5 -2,-0.5 2,-0.3 -0.960 16.8-171.3-108.3 112.9 -4.5 7.4 61.8 36 34 A G E -ac 12 60A 0 23,-2.6 25,-2.1 -2,-0.6 2,-0.3 -0.806 6.5-153.4-104.0 147.1 -7.2 9.3 59.9 37 35 A T E +ac 13 61A 2 -25,-1.8 -22,-2.0 -2,-0.3 -23,-0.6 -0.910 16.9 175.9-126.2 153.7 -6.3 11.9 57.3 38 36 A A E - c 0 62A 9 23,-2.2 25,-2.4 -2,-0.3 6,-0.1 -0.903 40.6-114.7-139.8 168.9 -7.7 15.1 55.6 39 37 A T S S+ 0 0 116 -2,-0.3 2,-0.3 23,-0.2 23,-0.1 0.523 96.1 51.9 -82.1 -6.4 -6.5 17.6 53.2 40 38 A S S > S- 0 0 49 21,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.943 79.5-122.9-132.7 157.2 -6.5 20.5 55.8 41 39 A A H > S+ 0 0 74 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.859 114.1 51.4 -64.7 -38.2 -5.2 21.2 59.3 42 40 A S H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.857 110.4 50.6 -68.1 -34.8 -8.7 21.9 60.7 43 41 A G H > S+ 0 0 10 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.882 109.6 50.0 -65.8 -44.2 -9.9 18.5 59.2 44 42 A A H X S+ 0 0 10 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.885 111.1 49.7 -59.7 -41.1 -7.0 16.7 60.8 45 43 A E H X S+ 0 0 124 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.936 107.5 52.9 -66.9 -44.2 -7.9 18.3 64.1 46 44 A K H X S+ 0 0 87 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.853 107.3 54.4 -53.2 -39.7 -11.6 17.3 63.8 47 45 A I H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.942 108.3 47.4 -62.7 -46.6 -10.4 13.7 63.2 48 46 A A H X S+ 0 0 43 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.881 112.0 50.9 -63.2 -39.1 -8.3 13.7 66.4 49 47 A E H X S+ 0 0 120 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.941 110.9 47.5 -61.6 -49.5 -11.2 15.2 68.3 50 48 A T H X S+ 0 0 22 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.908 110.3 52.3 -59.0 -46.5 -13.7 12.5 67.0 51 49 A L H <>S+ 0 0 5 -4,-2.5 5,-3.2 2,-0.2 -1,-0.2 0.917 112.8 43.9 -57.5 -47.9 -11.3 9.7 67.8 52 50 A K H ><5S+ 0 0 178 -4,-2.0 3,-2.0 3,-0.2 -1,-0.2 0.927 109.9 56.7 -63.7 -45.0 -10.8 10.8 71.4 53 51 A A H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.810 113.3 40.8 -58.0 -31.3 -14.6 11.4 71.7 54 52 A N T 3<5S- 0 0 96 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.213 118.9-109.0-101.0 11.5 -15.2 7.8 70.7 55 53 A G T < 5 + 0 0 72 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.758 68.6 144.1 72.3 28.1 -12.2 6.4 72.8 56 54 A V < - 0 0 17 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.836 44.5-135.1-106.2 130.5 -10.0 5.5 69.9 57 55 A E + 0 0 139 -2,-0.4 -23,-2.4 -25,-0.3 2,-0.3 -0.604 61.3 67.3 -77.4 146.2 -6.2 5.8 70.0 58 56 A G E -c 34 0A 28 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -1.000 66.8 -94.3 146.2-143.4 -4.5 7.3 67.1 59 57 A A E -c 35 0A 25 -25,-2.2 -23,-2.6 -2,-0.3 2,-0.4 -0.974 15.0-117.8-163.9 166.6 -4.2 10.7 65.3 60 58 A G E -c 36 0A 18 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.992 35.8-178.6-120.5 135.8 -5.4 13.0 62.6 61 59 A L E -c 37 0A 41 -25,-2.1 -23,-2.2 -2,-0.4 2,-0.5 -0.893 30.2-113.5-132.3 159.0 -2.9 14.0 59.8 62 60 A V E +c 38 0A 69 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.821 43.0 165.8 -93.4 131.1 -2.8 16.2 56.7 63 61 A L - 0 0 7 -25,-2.4 2,-0.6 -2,-0.5 -49,-0.1 -0.981 28.1-164.8-149.4 129.4 -2.3 14.2 53.5 64 62 A D > - 0 0 73 -2,-0.3 3,-1.9 3,-0.2 7,-0.3 -0.940 8.8-164.2-112.4 105.3 -2.6 15.0 49.9 65 63 A V T 3 S+ 0 0 20 -2,-0.6 44,-0.2 1,-0.3 43,-0.1 0.561 85.5 66.1 -72.1 -6.5 -2.7 11.6 48.0 66 64 A S T 3 S+ 0 0 64 1,-0.1 2,-0.5 42,-0.1 -1,-0.3 0.563 92.7 75.7 -82.9 -8.4 -2.0 13.4 44.7 67 65 A S <> - 0 0 35 -3,-1.9 4,-2.5 1,-0.1 5,-0.2 -0.912 62.0-158.9-117.1 118.8 1.5 14.4 45.9 68 66 A D H > S+ 0 0 109 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.875 99.5 52.1 -55.0 -41.8 4.5 12.1 46.2 69 67 A E H > S+ 0 0 162 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.935 109.9 47.1 -62.4 -48.1 6.1 14.5 48.8 70 68 A S H > S+ 0 0 25 -6,-0.2 4,-2.4 1,-0.2 5,-0.2 0.914 115.2 47.2 -59.0 -44.1 2.9 14.6 51.0 71 69 A V H X S+ 0 0 6 -4,-2.5 4,-2.1 -7,-0.3 5,-0.2 0.956 114.6 44.6 -64.2 -52.1 2.7 10.8 50.8 72 70 A A H X S+ 0 0 53 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.940 116.5 46.6 -58.2 -49.9 6.4 10.2 51.6 73 71 A A H X S+ 0 0 35 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.883 111.1 50.5 -61.6 -45.6 6.5 12.7 54.4 74 72 A T H X S+ 0 0 7 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.889 110.3 49.6 -62.9 -41.7 3.3 11.5 56.1 75 73 A L H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.900 109.9 51.3 -65.9 -39.9 4.4 7.9 56.1 76 74 A E H X S+ 0 0 113 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.925 110.3 50.1 -58.2 -45.1 7.8 8.9 57.6 77 75 A H H X S+ 0 0 100 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.868 112.8 45.6 -60.3 -43.1 5.9 10.9 60.3 78 76 A I H X>S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-2.2 0.883 111.5 52.5 -70.0 -38.3 3.6 7.9 61.1 79 77 A Q H <5S+ 0 0 87 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.909 112.7 44.2 -64.8 -44.3 6.6 5.5 61.2 80 78 A Q H <5S+ 0 0 143 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.976 126.4 27.6 -61.5 -56.6 8.5 7.6 63.6 81 79 A H H <5S+ 0 0 146 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.727 139.1 10.5 -86.2 -27.4 5.7 8.4 66.1 82 80 A L T <5S- 0 0 66 -4,-2.6 -3,-0.2 -5,-0.2 2,-0.2 0.692 99.3-107.5-124.9 -34.5 3.3 5.4 65.7 83 81 A G < - 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0 0 79 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.276 34.3-101.1 -64.4 152.5 8.8 -25.3 21.5 428 197 B E H 3> S+ 0 0 155 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.754 122.2 50.7 -38.6 -38.0 6.3 -27.8 20.0 429 198 B A H 3> S+ 0 0 66 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.916 112.5 44.0 -75.2 -43.9 5.6 -29.4 23.4 430 199 B Q H <> S+ 0 0 105 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.859 113.3 52.6 -67.8 -35.7 4.9 -26.1 25.2 431 200 B R H X S+ 0 0 64 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.967 109.6 47.6 -63.2 -51.1 2.8 -24.9 22.3 432 201 B E H X S+ 0 0 125 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.817 111.2 52.5 -62.2 -29.8 0.7 -28.1 22.4 433 202 B A H >< S+ 0 0 64 -4,-1.6 3,-0.7 2,-0.2 4,-0.4 0.896 109.3 47.8 -72.1 -44.2 0.3 -27.7 26.2 434 203 B L H >< S+ 0 0 6 -4,-2.2 3,-2.0 1,-0.2 4,-0.3 0.917 105.5 60.7 -56.9 -45.2 -0.9 -24.1 25.9 435 204 B L H >< S+ 0 0 14 -4,-2.6 3,-1.1 1,-0.3 6,-0.3 0.712 90.1 70.8 -52.7 -25.2 -3.3 -25.4 23.3 436 205 B G T << S+ 0 0 36 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.724 94.9 52.9 -70.0 -21.8 -4.8 -27.6 25.9 437 206 B Q T < S+ 0 0 82 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.478 96.4 80.6 -82.4 -9.3 -6.3 -24.6 27.6 438 207 B I S X S- 0 0 4 -3,-1.1 3,-3.2 -4,-0.3 36,-0.1 -0.881 70.9-151.2-107.6 108.4 -7.9 -23.5 24.3 439 208 B P T 3 S+ 0 0 24 0, 0.0 229,-0.2 0, 0.0 35,-0.2 0.814 98.8 53.6 -49.1 -37.0 -11.2 -25.3 23.5 440 209 B L T 3 S- 0 0 22 33,-1.6 34,-0.1 2,-0.2 3,-0.1 0.638 103.7-136.4 -72.8 -13.8 -10.6 -25.0 19.7 441 210 B G < + 0 0 38 -3,-3.2 2,-0.3 -6,-0.3 -6,-0.1 0.790 69.4 81.1 66.3 28.7 -7.2 -26.6 20.2 442 211 B R S S- 0 0 82 -7,-0.1 2,-0.2 31,-0.1 -1,-0.2 -0.989 81.3-101.3-156.1 157.6 -5.3 -24.1 18.0 443 212 B L - 0 0 18 -2,-0.3 -25,-0.2 1,-0.1 2,-0.1 -0.533 43.9-111.6 -74.6 150.2 -3.8 -20.7 18.0 444 213 B G B -n 418 0D 0 -27,-2.4 -25,-3.1 -2,-0.2 2,-0.3 -0.450 27.6-123.4 -78.6 155.0 -5.9 -17.9 16.4 445 214 B Q >> - 0 0 76 -27,-0.2 4,-0.9 -2,-0.1 3,-0.9 -0.766 15.8-122.4 -95.3 148.5 -4.7 -16.3 13.1 446 215 B A H >> S+ 0 0 8 -27,-0.5 4,-2.1 -2,-0.3 3,-0.9 0.878 114.6 58.9 -48.2 -42.7 -4.1 -12.6 12.7 447 216 B E H 3> S+ 0 0 102 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.829 97.0 60.1 -60.3 -34.5 -6.7 -12.7 9.9 448 217 B E H <> S+ 0 0 28 -3,-0.9 4,-0.6 2,-0.2 -1,-0.3 0.773 107.3 46.0 -69.7 -25.8 -9.3 -14.0 12.3 449 218 B I H XX S+ 0 0 0 -3,-0.9 4,-1.9 -4,-0.9 3,-0.7 0.901 110.6 53.9 -74.0 -45.8 -8.9 -10.8 14.4 450 219 B A H 3X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.846 101.6 57.6 -58.7 -38.4 -9.0 -8.7 11.3 451 220 B K H 3X S+ 0 0 62 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.840 107.1 48.8 -62.8 -34.7 -12.3 -10.2 10.1 452 221 B V H < S+ 0 0 14 -4,-1.8 3,-1.4 1,-0.2 6,-0.5 0.921 109.2 53.9 -67.3 -43.3 -17.3 -6.5 10.6 456 225 B L H 3< S+ 0 0 4 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.833 106.8 54.4 -60.4 -30.7 -17.4 -3.9 13.4 457 226 B A T 3< S+ 0 0 0 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.622 95.1 93.2 -74.9 -15.6 -16.4 -1.3 10.9 458 227 B S S X S- 0 0 1 -3,-1.4 3,-0.9 -4,-0.5 -214,-0.1 -0.249 87.7-113.7 -81.0 166.9 -19.4 -2.1 8.6 459 228 B D G > S+ 0 0 61 1,-0.2 3,-1.5 -216,-0.2 4,-0.1 0.783 113.0 68.4 -65.9 -27.2 -22.9 -0.6 8.6 460 229 B G G 3 S+ 0 0 7 1,-0.3 3,-0.3 -217,-0.1 -1,-0.2 0.735 96.2 53.0 -67.2 -22.2 -24.2 -4.0 9.8 461 230 B A G X S+ 0 0 0 -3,-0.9 3,-1.5 -6,-0.5 -1,-0.3 0.121 74.3 119.7 -94.0 20.8 -22.6 -3.4 13.1 462 231 B A T < S+ 0 0 21 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.749 74.3 46.0 -65.3 -26.1 -24.2 -0.0 13.6 463 232 B Y T 3 S+ 0 0 1 -3,-0.3 269,-2.3 244,-0.1 2,-0.7 0.497 91.3 95.6 -95.1 -3.4 -26.1 -0.9 16.8 464 233 B V < + 0 0 2 -3,-1.5 2,-0.3 266,-0.2 266,-0.1 -0.794 50.6 146.5 -84.8 118.1 -23.1 -2.6 18.4 465 234 B T + 0 0 0 -2,-0.7 268,-0.4 264,-0.2 266,-0.3 -0.986 54.7 21.0-153.6 149.9 -21.3 -0.0 20.7 466 235 B G S S+ 0 0 1 -56,-3.0 2,-0.3 -2,-0.3 -55,-0.2 0.602 91.1 135.8 69.5 14.2 -19.4 -0.2 23.9 467 236 B A - 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0 0 78 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.133 33.9-102.4 -61.9 153.3 0.9 -35.7 43.5 936 197 D E H 3> S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.747 121.6 50.8 -37.0 -39.3 3.6 -33.3 44.9 937 198 D A H 3> S+ 0 0 71 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 111.6 45.1 -75.5 -43.8 4.2 -31.9 41.5 938 199 D Q H <> S+ 0 0 95 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.865 113.1 52.1 -65.9 -37.3 0.5 -31.2 40.7 939 200 D R H X S+ 0 0 77 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.969 110.7 46.4 -62.3 -51.8 0.1 -29.6 44.1 940 201 D E H X S+ 0 0 113 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.812 113.7 49.6 -63.2 -30.1 3.0 -27.3 43.7 941 202 D A H >< S+ 0 0 63 -4,-1.6 3,-0.5 2,-0.2 4,-0.5 0.899 109.3 51.6 -72.7 -45.1 1.8 -26.3 40.2 942 203 D L H >< S+ 0 0 7 -4,-2.4 3,-2.0 1,-0.2 4,-0.4 0.938 105.4 54.5 -55.8 -52.0 -1.7 -25.6 41.5 943 204 D L H >< S+ 0 0 30 -4,-2.5 3,-1.0 1,-0.3 6,-0.3 0.727 97.3 67.9 -54.5 -25.1 -0.4 -23.3 44.2 944 205 D G T << S+ 0 0 35 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.724 95.1 54.7 -69.5 -22.5 1.4 -21.4 41.5 945 206 D Q T < S+ 0 0 69 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.540 96.9 78.3 -81.8 -9.9 -1.9 -20.2 40.2 946 207 D I S X S- 0 0 3 -3,-1.0 3,-3.1 -4,-0.4 36,-0.1 -0.868 70.9-152.2-108.6 107.3 -2.9 -18.9 43.6 947 208 D P T 3 S+ 0 0 23 0, 0.0 -782,-0.2 0, 0.0 35,-0.2 0.820 97.9 54.7 -49.1 -36.9 -1.3 -15.5 44.5 948 209 D L T 3 S- 0 0 22 33,-1.5 34,-0.1 2,-0.2 3,-0.1 0.648 103.4-136.3 -73.0 -12.4 -1.4 -16.3 48.3 949 210 D G < + 0 0 40 -3,-3.1 2,-0.3 -6,-0.3 -6,-0.1 0.767 69.1 80.0 65.9 28.3 0.5 -19.6 47.5 950 211 D R S S- 0 0 85 -7,-0.1 2,-0.2 31,-0.1 -1,-0.2 -0.988 81.6 -99.6-156.1 159.0 -1.6 -21.7 49.8 951 212 D L - 0 0 23 -2,-0.3 -25,-0.2 1,-0.1 2,-0.1 -0.523 44.0-112.3 -73.8 149.0 -4.9 -23.6 49.9 952 213 D G B -c 926 0H 0 -27,-2.4 -25,-2.8 -2,-0.2 2,-0.3 -0.448 27.2-123.1 -79.5 154.2 -7.8 -21.9 51.8 953 214 D Q >> - 0 0 77 -27,-0.2 4,-0.9 -2,-0.1 3,-0.8 -0.770 15.1-123.0 -95.8 148.3 -9.1 -23.4 55.0 954 215 D A H >> S+ 0 0 14 -2,-0.3 4,-2.1 1,-0.2 3,-0.9 0.877 114.3 58.7 -48.5 -43.0 -12.7 -24.4 55.6 955 216 D E H 3> S+ 0 0 110 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.843 97.3 59.7 -59.4 -35.2 -12.7 -22.0 58.5 956 217 D E H <> S+ 0 0 26 -3,-0.8 4,-0.6 2,-0.2 -1,-0.3 0.766 107.7 45.7 -68.3 -26.6 -11.8 -19.1 56.2 957 218 D I H XX S+ 0 0 0 -4,-0.9 4,-1.9 -3,-0.9 3,-0.7 0.897 110.7 54.3 -74.2 -45.6 -15.0 -19.7 54.2 958 219 D A H 3X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.859 101.5 57.6 -59.8 -37.4 -17.0 -20.0 57.4 959 220 D K H 3X S+ 0 0 40 -4,-2.4 4,-1.7 2,-0.2 -1,-0.3 0.839 106.8 48.9 -61.9 -35.6 -15.9 -16.6 58.7 960 221 D V H < S+ 0 0 10 -4,-1.7 3,-1.5 1,-0.2 6,-0.4 0.917 108.6 54.4 -67.3 -42.6 -20.2 -12.0 58.7 964 225 D L H 3< S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.820 105.9 54.9 -59.3 -30.8 -22.8 -12.1 55.9 965 226 D A T 3< S+ 0 0 0 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.630 94.6 94.7 -76.0 -15.4 -25.3 -13.4 58.5 966 227 D S S X S- 0 0 1 -3,-1.5 3,-0.9 -4,-0.5 -222,-0.1 -0.232 86.8-114.8 -80.0 165.6 -24.7 -10.5 60.8 967 228 D D G > S+ 0 0 79 -224,-0.5 3,-1.5 -222,-0.2 4,-0.1 0.797 113.1 67.5 -65.1 -29.8 -26.5 -7.2 61.2 968 229 D G G 3 S+ 0 0 8 -225,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.720 96.6 53.4 -63.6 -23.4 -23.4 -5.4 59.9 969 230 D A G X S+ 0 0 0 -3,-0.9 3,-1.4 -6,-0.4 -1,-0.3 0.110 74.0 118.9 -93.8 20.3 -23.9 -7.0 56.5 970 231 D A T < S+ 0 0 20 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.756 74.3 46.8 -64.8 -25.8 -27.5 -5.8 56.2 971 232 D Y T 3 S+ 0 0 0 -3,-0.3 -740,-2.6 -765,-0.1 2,-0.6 0.516 91.4 94.1 -96.4 -3.8 -26.9 -3.6 53.1 972 233 D V < + 0 0 2 -3,-1.4 2,-0.3 -743,-0.2 -743,-0.1 -0.794 51.3 146.1 -84.3 118.7 -25.0 -6.4 51.3 973 234 D T + 0 0 0 -2,-0.6 -741,-0.4 -745,-0.2 -743,-0.3 -0.986 55.2 21.2-154.0 150.8 -27.4 -8.3 49.1 974 235 D G S S+ 0 0 1 -56,-3.0 2,-0.2 -2,-0.3 -55,-0.2 0.584 90.7 136.4 67.3 14.5 -27.1 -10.1 45.7 975 236 D A - 0 0 0 -57,-0.3 -55,-2.6 -71,-0.1 2,-0.5 -0.604 47.2-154.7 -93.8 149.0 -23.4 -10.3 46.2 976 237 D T E -b 920 0G 21 -2,-0.2 -55,-0.2 -57,-0.2 -75,-0.0 -0.954 13.9-156.5-117.8 109.3 -21.1 -13.2 45.5 977 238 D V E -b 921 0G 9 -57,-2.8 -55,-2.8 -2,-0.5 2,-0.4 -0.753 10.5-142.9 -86.7 117.1 -18.0 -12.9 47.7 978 239 D P E -b 922 0G 18 0, 0.0 2,-0.4 0, 0.0 -755,-0.2 -0.694 16.6-174.4 -78.3 134.0 -15.1 -14.8 46.1 979 240 D V E +b 923 0G 0 -57,-2.3 -55,-1.7 -2,-0.4 -757,-0.2 -0.751 41.7 117.8-126.4 80.9 -12.9 -16.5 48.7 980 241 D N S > S- 0 0 3 -2,-0.4 3,-1.9 -759,-0.3 -55,-0.3 0.117 80.0-108.7-140.3 19.9 -10.1 -17.9 46.6 981 242 D G T 3 S- 0 0 0 -760,-2.9 -33,-1.5 1,-0.3 -32,-0.2 0.636 83.1 -54.9 56.3 15.7 -6.7 -16.4 47.6 982 243 D G T 3 S+ 0 0 1 -759,-0.4 2,-0.8 -761,-0.3 -1,-0.3 0.459 101.4 130.1 100.4 1.0 -6.6 -14.4 44.3 983 244 D M < - 0 0 4 -3,-1.9 2,-0.6 -37,-0.1 -1,-0.3 -0.812 36.6-172.9 -88.7 107.4 -7.0 -17.2 41.9 984 245 D Y + 0 0 22 -2,-0.8 2,-0.5 -39,-0.2 -506,-0.4 -0.906 9.3 171.1-111.8 115.4 -9.9 -16.1 39.5 985 246 D M 0 0 18 -2,-0.6 -508,-0.1 -507,-0.1 -2,-0.0 -0.979 360.0 360.0-122.1 118.5 -11.2 -18.6 37.0 986 247 D S 0 0 50 -2,-0.5 -510,-0.2 -510,-0.4 -508,-0.1 -0.812 360.0 360.0-136.5 360.0 -14.3 -17.9 34.8