==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-JAN-13 4IMR . COMPND 2 MOLECULE: 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM FABRUM; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 511 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 397 77.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 13.7 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 . 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 . 36 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.7 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 2 1 0 2 3 0 4 4 0 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 3 6 1 2 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 2 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 -4 A L 0 0 171 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -8.8 -19.6 81.1 45.4 2 -3 A Y + 0 0 178 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.866 360.0 18.2-120.0 152.9 -18.1 78.3 47.6 3 -2 A F S S+ 0 0 89 -2,-0.3 3,-0.3 1,-0.1 -1,-0.2 0.941 73.2 147.7 55.8 50.1 -17.9 74.5 47.1 4 -1 A Q > + 0 0 66 -3,-0.2 3,-1.4 1,-0.2 6,-0.2 0.772 54.1 75.6 -86.0 -28.9 -18.6 75.1 43.3 5 0 A S T 3 S+ 0 0 49 1,-0.2 -1,-0.2 5,-0.1 -2,-0.1 0.795 98.0 44.4 -48.8 -36.1 -16.5 72.1 42.4 6 1 A M T 3 S+ 0 0 24 -3,-0.3 -1,-0.2 4,-0.1 2,-0.2 0.376 84.0 111.7-105.9 3.3 -19.2 69.6 43.5 7 2 A R S <> S- 0 0 115 -3,-1.4 4,-2.5 1,-0.1 3,-0.4 -0.496 71.1-123.6 -79.8 147.9 -22.4 71.0 42.1 8 3 A L H > S+ 0 0 11 284,-0.2 4,-3.2 1,-0.2 5,-0.5 0.905 112.3 53.5 -53.9 -43.3 -24.5 69.4 39.3 9 4 A E H > S+ 0 0 67 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.847 110.9 45.6 -63.7 -37.1 -24.3 72.6 37.2 10 5 A T H 4 S+ 0 0 63 -3,-0.4 -1,-0.2 -6,-0.2 -2,-0.2 0.930 118.4 42.2 -68.1 -45.6 -20.5 72.7 37.5 11 6 A I H < S+ 0 0 15 -4,-2.5 232,-0.8 1,-0.2 231,-0.2 0.939 136.1 11.9 -70.9 -46.4 -20.1 69.1 36.7 12 7 A F H < S+ 0 0 0 -4,-3.2 -3,-0.2 -5,-0.2 -1,-0.2 0.403 91.3 127.7-112.0 -2.0 -22.6 68.7 33.9 13 8 A G < - 0 0 27 -4,-1.2 229,-0.4 -5,-0.5 27,-0.2 -0.325 32.0-175.4 -70.1 143.9 -23.5 72.3 33.0 14 9 A L > + 0 0 2 25,-3.0 3,-2.4 22,-0.2 28,-0.2 0.094 24.7 147.9-123.7 19.2 -23.3 73.3 29.3 15 10 A R T 3 S+ 0 0 184 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.331 75.6 20.7 -58.7 138.1 -24.1 77.1 29.4 16 11 A G T 3 S+ 0 0 79 24,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.393 103.9 108.2 87.3 -6.2 -22.1 78.8 26.6 17 12 A R < - 0 0 76 -3,-2.4 25,-2.4 23,-0.2 2,-0.4 -0.758 56.3-145.8-103.1 155.8 -21.6 75.6 24.6 18 13 A T E -a 42 0A 13 -2,-0.3 77,-2.1 74,-0.2 76,-1.5 -0.975 11.1-163.9-122.1 133.7 -23.3 74.6 21.3 19 14 A A E -ab 43 95A 0 23,-2.7 25,-3.7 -2,-0.4 2,-0.5 -0.940 10.0-157.8-116.9 136.4 -24.2 71.0 20.3 20 15 A L E -ab 44 96A 0 75,-2.6 77,-3.1 -2,-0.4 2,-0.5 -0.969 14.3-171.5-105.4 126.0 -25.0 69.6 16.9 21 16 A V E > -ab 45 97A 0 23,-2.1 25,-0.8 -2,-0.5 3,-0.7 -0.947 13.4-144.5-120.6 109.1 -27.1 66.4 17.2 22 17 A T T 3 S+ 0 0 0 75,-2.4 77,-0.1 -2,-0.5 25,-0.1 -0.395 82.6 14.3 -70.5 149.1 -27.7 64.4 14.0 23 18 A G T 3 S+ 0 0 17 76,-0.2 6,-0.4 1,-0.1 3,-0.4 0.914 80.3 144.8 54.2 48.2 -31.0 62.7 13.6 24 19 A S < + 0 0 0 22,-2.1 23,-0.2 -3,-0.7 -1,-0.1 0.229 38.0 96.7-101.8 14.4 -32.6 64.7 16.5 25 20 A S S S- 0 0 26 21,-0.7 2,-0.3 1,-0.1 31,-0.2 0.793 101.2 -17.5 -71.2 -26.0 -36.1 65.0 15.0 26 21 A R S >> S+ 0 0 145 -3,-0.4 4,-1.3 29,-0.1 3,-0.6 -0.923 105.6 30.1-162.3 178.9 -37.1 61.9 17.0 27 22 A G H 3> S- 0 0 23 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 -0.192 116.9 -14.4 63.2-142.1 -36.0 58.8 19.0 28 23 A I H 3> S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 136.8 55.5 -63.7 -40.5 -32.7 58.8 20.9 29 24 A G H <> S+ 0 0 0 -3,-0.6 4,-2.8 -6,-0.4 -5,-0.2 0.915 107.5 49.1 -62.4 -40.6 -31.4 61.9 19.1 30 25 A A H X S+ 0 0 4 -4,-1.3 4,-2.2 -7,-0.3 -1,-0.2 0.916 112.3 47.8 -63.7 -44.2 -34.5 63.9 20.2 31 26 A A H X S+ 0 0 8 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.943 114.2 46.8 -63.5 -46.5 -34.1 62.9 23.8 32 27 A I H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.931 110.0 53.2 -61.4 -45.8 -30.5 63.6 23.9 33 28 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.910 111.1 46.4 -55.7 -42.7 -31.0 67.0 22.2 34 29 A E H X S+ 0 0 35 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.924 111.9 51.1 -69.5 -42.0 -33.6 68.0 24.8 35 30 A G H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.922 110.2 49.3 -57.6 -47.1 -31.3 66.8 27.6 36 31 A L H <>S+ 0 0 1 -4,-2.9 5,-2.3 1,-0.2 3,-0.4 0.897 112.6 46.8 -60.6 -40.1 -28.4 68.8 26.3 37 32 A A H ><5S+ 0 0 5 -4,-2.0 3,-1.5 -5,-0.2 -1,-0.2 0.890 106.8 59.8 -70.7 -36.6 -30.5 72.0 26.0 38 33 A G H 3<5S+ 0 0 13 -4,-2.6 224,-0.4 1,-0.3 -1,-0.2 0.780 103.2 51.1 -56.7 -31.2 -31.8 71.3 29.5 39 34 A A T 3<5S- 0 0 7 -4,-1.3 -25,-3.0 -3,-0.4 -24,-0.4 0.417 132.4 -92.1 -87.6 -2.1 -28.2 71.5 30.7 40 35 A G T < 5S+ 0 0 11 -3,-1.5 -24,-0.6 1,-0.3 -3,-0.2 0.392 78.2 137.7 113.0 -3.9 -27.8 74.8 29.0 41 36 A A < - 0 0 2 -5,-2.3 2,-0.5 -26,-0.2 25,-0.5 -0.491 55.5-123.8 -74.4 146.6 -26.4 74.1 25.5 42 37 A H E -a 18 0A 45 -25,-2.4 -23,-2.7 -28,-0.2 2,-0.5 -0.763 37.1-146.6 -78.4 129.8 -27.6 75.8 22.4 43 38 A V E -ac 19 67A 0 23,-2.0 25,-1.8 -2,-0.5 2,-0.7 -0.890 16.4-156.7-113.0 124.9 -28.7 72.9 20.2 44 39 A I E -ac 20 68A 0 -25,-3.7 -23,-2.1 -2,-0.5 25,-0.2 -0.894 24.5-153.5 -93.2 115.5 -28.5 72.6 16.5 45 40 A L E -ac 21 69A 0 23,-3.2 25,-2.4 -2,-0.7 2,-0.4 -0.580 10.2-163.8 -89.7 154.9 -31.1 70.0 15.5 46 41 A H E + c 0 70A 4 -25,-0.8 -22,-2.1 -2,-0.2 -21,-0.7 -0.994 17.9 152.1-143.4 145.6 -30.9 67.9 12.4 47 42 A G E - c 0 71A 3 23,-0.7 25,-2.1 -2,-0.4 6,-0.1 -0.940 51.5 -99.0-157.2 172.3 -33.1 65.8 10.3 48 43 A V S S+ 0 0 86 -2,-0.3 24,-0.3 23,-0.2 -1,-0.1 0.984 101.8 39.1 -65.1 -59.7 -33.4 64.7 6.7 49 44 A K S > S- 0 0 146 22,-0.1 3,-2.3 23,-0.1 4,-0.3 -0.699 97.3 -93.4 -97.8 143.4 -36.2 67.1 5.5 50 45 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.189 112.4 19.5 -46.4 137.4 -36.6 70.8 6.3 51 46 A G T > S+ 0 0 47 1,-0.1 3,-1.4 -4,-0.1 4,-0.2 0.361 83.8 118.0 81.9 -5.1 -39.0 71.1 9.3 52 47 A S T < S+ 0 0 49 -3,-2.3 3,-0.4 1,-0.2 4,-0.2 0.795 76.7 52.5 -64.9 -21.7 -38.7 67.5 10.5 53 48 A T T 3> S+ 0 0 0 -4,-0.3 4,-2.7 1,-0.2 3,-0.2 0.375 75.6 109.1 -93.5 7.6 -37.3 68.8 13.9 54 49 A A H <> S+ 0 0 59 -3,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.828 76.7 48.1 -57.5 -38.9 -40.1 71.3 14.6 55 50 A A H > S+ 0 0 64 -3,-0.4 4,-1.7 -4,-0.2 -1,-0.2 0.911 113.9 45.7 -73.1 -38.5 -41.7 69.4 17.5 56 51 A V H > S+ 0 0 0 -3,-0.2 4,-2.4 -31,-0.2 -2,-0.2 0.908 110.3 55.2 -68.4 -41.9 -38.4 68.8 19.3 57 52 A Q H X S+ 0 0 60 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.932 109.1 47.4 -53.5 -46.0 -37.4 72.5 18.8 58 53 A Q H X S+ 0 0 112 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.825 109.5 52.5 -71.7 -30.8 -40.6 73.6 20.4 59 54 A R H X S+ 0 0 110 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.907 110.9 48.7 -68.5 -36.9 -40.2 71.3 23.4 60 55 A I H ><>S+ 0 0 4 -4,-2.4 5,-2.6 2,-0.2 3,-0.6 0.953 114.0 45.0 -66.6 -46.6 -36.7 72.7 23.9 61 56 A I H ><5S+ 0 0 71 -4,-2.6 3,-2.4 1,-0.2 -2,-0.2 0.931 108.8 56.3 -61.3 -44.5 -38.0 76.3 23.7 62 57 A A H 3<5S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.736 105.4 52.7 -61.6 -23.7 -40.9 75.6 26.0 63 58 A S T <<5S- 0 0 69 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.289 128.7 -98.1 -94.1 6.2 -38.5 74.3 28.6 64 59 A G T < 5S+ 0 0 60 -3,-2.4 -3,-0.2 1,-0.3 2,-0.2 0.700 85.4 118.2 89.8 21.1 -36.5 77.5 28.4 65 60 A G < - 0 0 14 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.509 57.5-120.6-107.4-177.9 -33.7 76.4 26.0 66 61 A T + 0 0 79 -25,-0.5 -23,-2.0 -2,-0.2 2,-0.3 -0.973 34.7 155.5-126.6 147.2 -32.7 77.5 22.5 67 62 A A E -c 43 0A 12 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.985 14.8-173.7-161.4 151.3 -32.5 75.4 19.3 68 63 A Q E -c 44 0A 72 -25,-1.8 -23,-3.2 -2,-0.3 2,-0.3 -0.971 25.9-109.6-148.5 164.5 -32.6 75.7 15.5 69 64 A E E +c 45 0A 49 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.643 21.8 179.1-100.7 147.3 -32.6 73.3 12.6 70 65 A L E -c 46 0A 23 -25,-2.4 -23,-0.7 -2,-0.3 2,-0.2 -0.952 22.6-163.3-135.9 126.6 -30.2 72.3 9.9 71 66 A A E +c 47 0A 14 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.2 -0.684 22.5 127.5-111.0 162.1 -31.5 69.6 7.5 72 67 A G - 0 0 23 -25,-2.1 2,-0.6 -24,-0.3 -23,-0.1 -0.606 53.6-101.7 157.8 145.2 -29.9 67.2 5.0 73 68 A D > - 0 0 56 -2,-0.2 3,-1.1 1,-0.1 6,-0.1 -0.706 25.2-157.2 -83.9 120.7 -29.5 63.6 3.9 74 69 A L T 3 S+ 0 0 12 -2,-0.6 6,-0.3 1,-0.2 52,-0.2 0.464 82.6 77.6 -81.0 -0.1 -26.2 62.3 5.1 75 70 A S T 3 S+ 0 0 36 4,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.618 75.5 97.8 -79.8 -11.8 -26.1 59.6 2.4 76 71 A E S X S- 0 0 126 -3,-1.1 3,-2.3 1,-0.1 4,-0.4 -0.538 89.2 -99.3 -81.2 142.2 -24.9 62.2 -0.1 77 72 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.317 109.5 10.0 -58.9 135.5 -21.2 62.6 -0.9 78 73 A G T 3> S+ 0 0 34 -4,-0.1 4,-2.5 47,-0.1 -1,-0.3 0.401 90.6 124.3 75.4 -3.6 -19.8 65.5 1.1 79 74 A A H <> S+ 0 0 16 -3,-2.3 4,-2.5 1,-0.2 5,-0.2 0.913 71.6 50.4 -58.5 -42.2 -23.0 65.9 3.2 80 75 A G H > S+ 0 0 1 -4,-0.4 4,-2.2 -6,-0.3 -1,-0.2 0.922 111.4 48.2 -62.4 -43.1 -21.1 65.5 6.5 81 76 A T H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.955 113.4 47.9 -58.1 -49.4 -18.6 68.2 5.6 82 77 A D H X S+ 0 0 73 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.850 108.8 53.7 -64.7 -35.8 -21.3 70.5 4.5 83 78 A L H X S+ 0 0 3 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.953 110.8 45.7 -64.1 -46.6 -23.4 69.9 7.7 84 79 A I H X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.2 5,-0.2 0.945 112.2 51.4 -61.9 -46.2 -20.4 70.9 9.9 85 80 A E H X S+ 0 0 101 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.918 111.8 47.0 -59.7 -40.7 -19.6 73.9 7.8 86 81 A R H X S+ 0 0 84 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.892 113.1 49.1 -67.6 -36.7 -23.2 75.1 8.0 87 82 A A H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-1.2 0.923 109.0 52.0 -69.0 -42.1 -23.3 74.5 11.7 88 83 A E H 3< S+ 0 0 36 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.771 101.2 61.2 -64.0 -25.3 -20.0 76.4 12.3 89 84 A A H 3< S+ 0 0 90 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.704 108.6 45.0 -75.2 -17.4 -21.4 79.3 10.4 90 85 A I H << S- 0 0 62 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.902 134.8 -37.4 -83.9 -50.5 -24.1 79.5 13.1 91 86 A A S < S- 0 0 21 -4,-2.3 -1,-0.4 -73,-0.0 2,-0.1 -0.970 74.9 -71.4-167.2 158.3 -21.8 79.0 16.1 92 87 A P - 0 0 63 0, 0.0 2,-0.9 0, 0.0 -74,-0.2 -0.388 50.7-130.4 -56.9 134.0 -18.6 77.2 17.1 93 88 A V + 0 0 0 1,-0.2 -74,-0.2 -76,-0.1 3,-0.1 -0.805 35.6 167.6 -95.1 107.5 -19.6 73.5 17.5 94 89 A D + 0 0 12 -76,-1.5 51,-2.0 -2,-0.9 2,-0.4 0.778 67.5 38.0 -85.8 -31.4 -18.3 72.3 20.9 95 90 A I E -bd 19 145A 0 -77,-2.1 -75,-2.6 49,-0.2 2,-0.5 -0.986 62.3-170.2-130.0 125.8 -20.3 69.1 21.0 96 91 A L E -bd 20 146A 0 49,-2.7 51,-2.6 -2,-0.4 2,-0.7 -0.975 3.6-166.6-117.6 118.3 -21.1 66.7 18.1 97 92 A V E -bd 21 147A 1 -77,-3.1 -75,-2.4 -2,-0.5 2,-1.4 -0.909 7.9-158.2-102.0 108.8 -23.6 63.9 18.8 98 93 A I E + d 0 148A 3 49,-1.6 51,-2.6 -2,-0.7 -77,-0.1 -0.685 42.7 134.4 -87.6 88.8 -23.3 61.4 15.9 99 94 A N + 0 0 19 -2,-1.4 -1,-0.2 49,-0.2 -76,-0.2 0.780 32.7 92.1-111.7 -37.1 -26.7 59.8 16.2 100 95 A A + 0 0 24 -3,-0.3 2,-0.3 -71,-0.0 49,-0.1 -0.424 53.2 163.4 -63.2 135.8 -28.4 59.5 12.8 101 96 A S - 0 0 19 -2,-0.1 2,-0.4 -78,-0.1 18,-0.1 -0.988 36.1-120.9-149.8 160.8 -27.6 56.2 11.2 102 97 A A + 0 0 9 -2,-0.3 2,-0.3 17,-0.3 21,-0.1 -0.814 28.8 179.0 -99.5 141.5 -28.9 54.0 8.4 103 98 A Q + 0 0 68 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.895 11.8 169.6-146.8 114.5 -30.1 50.5 9.1 104 99 A I - 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f 0 253A 0 59,-2.9 61,-2.2 -2,-0.6 -42,-0.2 -0.882 0.8-162.1-112.7 104.9 -23.8 52.1 22.7 194 189 A P E - f 0 254A 9 0, 0.0 -42,-2.0 0, 0.0 61,-0.3 -0.520 7.4-152.1 -80.2 152.8 -27.4 51.3 23.4 195 190 A G S S- 0 0 17 59,-2.7 2,-0.3 1,-0.2 60,-0.1 0.179 70.1 -18.0 -85.4-141.1 -28.9 47.8 23.5 196 191 A L S S- 0 0 33 59,-0.3 31,-3.1 29,-0.1 2,-0.4 -0.493 72.3-179.0 -74.2 125.2 -32.6 47.5 22.6 197 192 A V B -h 227 0C 9 -2,-0.3 2,-0.9 29,-0.2 31,-0.2 -0.971 32.5-114.6-127.0 137.4 -34.5 50.9 22.8 198 193 A D + 0 0 46 29,-3.1 2,-0.2 -2,-0.4 -171,-0.0 -0.601 61.5 131.3 -65.8 104.3 -38.2 51.7 22.2 199 194 A T S >> S- 0 0 24 -2,-0.9 3,-1.7 29,-0.1 4,-0.8 -0.790 75.3 -79.4-137.4-170.9 -38.2 54.0 19.2 200 195 A D H >> S+ 0 0 87 1,-0.3 4,-0.7 -2,-0.2 3,-0.6 0.862 117.9 76.0 -57.9 -36.7 -40.0 54.4 15.9 201 196 A R H 34 S+ 0 0 137 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.695 118.4 15.3 -51.1 -17.6 -37.8 51.7 14.4 202 197 A N H <> S+ 0 0 22 -3,-1.7 4,-2.0 2,-0.1 -1,-0.3 0.327 95.5 106.7-137.0 4.2 -39.9 49.2 16.4 203 198 A A H S+ 0 0 133 2,-0.2 4,-1.8 1,-0.2 8,-0.2 0.791 109.7 52.3 -65.6 -38.6 -44.2 46.0 15.9 206 201 A R H < S+ 0 0 67 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.978 114.7 42.7 -62.5 -49.7 -44.8 46.8 19.5 207 202 A A H < S+ 0 0 69 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.803 120.1 40.9 -65.7 -38.4 -48.2 48.1 18.7 208 203 A Q H < S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.731 128.0 27.4 -86.7 -26.5 -49.2 45.3 16.3 209 204 A D X + 0 0 58 -4,-1.8 4,-2.3 -5,-0.2 3,-0.3 -0.383 61.9 155.9-135.0 65.1 -47.7 42.4 18.3 210 205 A P H > S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.784 75.7 53.6 -62.7 -33.2 -47.5 43.0 22.1 211 206 A E H > S+ 0 0 167 2,-0.2 4,-1.5 1,-0.1 5,-0.1 0.897 113.0 41.9 -64.4 -43.9 -47.5 39.4 23.1 212 207 A G H > S+ 0 0 25 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.924 112.7 53.2 -69.0 -44.0 -44.6 38.4 20.9 213 208 A W H X S+ 0 0 22 -4,-2.3 4,-2.5 -8,-0.2 5,-0.2 0.917 108.0 50.3 -61.3 -45.8 -42.6 41.4 21.7 214 209 A D H X S+ 0 0 100 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.874 109.8 49.2 -62.4 -40.8 -42.9 40.9 25.4 215 210 A E H X S+ 0 0 106 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.921 114.2 48.6 -62.9 -43.0 -41.8 37.3 25.3 216 211 A Y H >X S+ 0 0 105 -4,-2.2 3,-1.0 1,-0.2 4,-0.7 0.946 112.8 44.0 -59.6 -53.9 -38.8 38.4 23.2 217 212 A V H 3X S+ 0 0 8 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.804 101.3 72.6 -68.1 -22.2 -37.7 41.3 25.4 218 213 A R H 3< S+ 0 0 144 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.793 111.3 25.5 -65.8 -27.9 -38.1 39.2 28.5 219 214 A T H << S+ 0 0 98 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.378 101.4 87.9-117.5 4.2 -35.0 37.1 27.7 220 215 A L H < S+ 0 0 25 -4,-0.7 2,-0.2 -3,-0.4 -2,-0.1 0.925 101.0 2.2 -63.3 -51.3 -33.1 39.6 25.6 221 216 A N S >< S- 0 0 10 -4,-0.9 3,-0.9 35,-0.0 37,-0.2 -0.791 82.9 -94.0-136.8 175.8 -31.3 41.3 28.4 222 217 A W T 3 S+ 0 0 68 35,-2.7 216,-0.3 1,-0.3 35,-0.2 0.767 123.0 50.6 -70.2 -26.5 -31.0 41.0 32.2 223 218 A M T 3 S- 0 0 25 33,-1.5 -1,-0.3 34,-0.3 34,-0.1 0.656 101.9-135.0 -80.4 -14.1 -33.7 43.6 32.9 224 219 A G < + 0 0 22 -3,-0.9 2,-0.3 1,-0.2 -2,-0.1 0.843 69.8 85.6 63.7 35.0 -36.1 41.8 30.5 225 220 A R S S- 0 0 68 31,-0.1 -1,-0.2 -8,-0.1 2,-0.2 -0.992 79.2-102.0-155.5 160.0 -37.2 45.0 28.9 226 221 A A - 0 0 9 -2,-0.3 -29,-0.2 -3,-0.1 2,-0.1 -0.541 41.6-117.2 -76.1 152.3 -36.4 47.6 26.2 227 222 A G B -h 197 0C 0 -31,-3.1 -29,-3.1 -2,-0.2 -1,-0.1 -0.386 22.8-123.9 -80.6 163.4 -34.8 50.9 27.2 228 223 A R > - 0 0 92 -31,-0.2 3,-1.8 -2,-0.1 4,-0.2 -0.853 21.8-115.8-105.4 151.9 -36.5 54.2 26.7 229 224 A P G > S+ 0 0 29 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.874 114.8 59.5 -51.2 -41.2 -34.9 57.0 24.7 230 225 A E G > S+ 0 0 105 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.692 91.1 70.7 -65.8 -17.3 -34.7 59.2 27.8 231 226 A E G < S+ 0 0 6 -3,-1.8 269,-0.3 1,-0.2 4,-0.3 0.536 92.2 58.5 -76.6 -6.5 -32.6 56.6 29.5 232 227 A M G <> S+ 0 0 0 -3,-2.1 4,-2.0 -4,-0.2 -1,-0.2 0.512 87.0 82.5 -87.4 -9.2 -29.8 57.5 27.1 233 228 A V H <> S+ 0 0 3 -3,-1.1 4,-2.6 -4,-0.2 5,-0.2 0.901 83.8 51.0 -75.1 -41.3 -29.8 61.1 28.3 234 229 A G H > S+ 0 0 2 -4,-0.4 4,-2.4 263,-0.3 -1,-0.2 0.934 112.6 48.0 -58.6 -46.0 -27.7 60.9 31.5 235 230 A A H > S+ 0 0 0 262,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.905 111.2 50.9 -65.3 -40.0 -24.9 59.1 29.7 236 231 A A H X S+ 0 0 1 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.912 109.9 49.1 -62.7 -42.4 -25.0 61.6 26.9 237 232 A L H X S+ 0 0 2 -4,-2.6 4,-0.6 1,-0.2 6,-0.3 0.900 110.8 51.6 -63.1 -40.3 -24.7 64.6 29.3 238 233 A F H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 6,-0.6 0.940 113.9 42.9 -57.9 -47.0 -21.8 62.9 31.0 239 234 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.617 114.2 51.8 -79.3 -13.5 -20.0 62.4 27.6 240 235 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.445 107.2 54.0-100.7 -1.5 -20.8 65.9 26.4 241 236 A S S X< S- 0 0 0 -3,-0.8 3,-1.2 -4,-0.6 -229,-0.1 -0.456 99.8 -80.4-127.0-172.1 -19.6 67.9 29.4 242 237 A E G > S+ 0 0 85 -229,-0.4 3,-1.9 1,-0.2 -230,-0.2 0.734 110.6 82.9 -63.9 -19.3 -16.8 68.7 31.7 243 238 A A G 3 S+ 0 0 6 -232,-0.8 246,-0.3 1,-0.3 3,-0.3 0.802 90.1 46.0 -60.8 -28.9 -17.8 65.5 33.6 244 239 A C G X S+ 0 0 0 -3,-1.2 3,-2.6 -6,-0.6 -1,-0.3 0.122 71.3 127.5-100.6 28.0 -15.8 63.3 31.2 245 240 A S T < S+ 0 0 12 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.650 79.1 42.3 -59.5 -16.9 -12.6 65.4 31.2 246 241 A F T 3 S+ 0 0 0 -3,-0.3 264,-2.3 239,-0.3 2,-0.4 0.075 104.0 81.1-114.9 24.0 -10.5 62.3 32.1 247 242 A M < + 0 0 0 -3,-2.6 2,-0.3 261,-0.2 261,-0.1 -0.975 47.5 147.1-135.2 124.2 -12.3 59.9 29.8 248 243 A T + 0 0 0 -2,-0.4 264,-0.4 259,-0.2 -58,-0.2 -0.997 58.0 24.1-153.0 149.8 -11.7 59.4 26.1 249 244 A G S S+ 0 0 5 -60,-3.5 -59,-0.2 -2,-0.3 2,-0.2 0.674 92.4 119.0 74.7 17.2 -11.8 56.6 23.5 250 245 A E - 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n 0 507D 0 59,-3.3 61,-1.9 -2,-0.6 -42,-0.2 -0.873 1.3-162.0-115.9 101.8 -12.2 52.2 36.9 448 189 B P E - n 0 508D 9 0, 0.0 -42,-2.2 0, 0.0 -41,-0.3 -0.461 8.6-151.9 -81.0 154.5 -9.7 55.0 37.1 449 190 B G - 0 0 15 59,-2.5 2,-0.3 1,-0.2 60,-0.1 0.090 69.7 -19.5 -88.1-143.5 -6.3 55.2 35.6 450 191 B L S S+ 0 0 26 59,-0.4 31,-3.0 29,-0.1 2,-0.4 -0.471 70.7 178.1 -73.1 128.4 -3.7 57.4 37.3 451 192 B V B -p 481 0F 9 -2,-0.3 2,-0.8 29,-0.2 31,-0.2 -0.991 34.9-111.7-132.3 135.6 -5.2 59.9 39.8 452 193 B D + 0 0 55 29,-2.8 2,-0.2 -2,-0.4 -171,-0.0 -0.538 61.7 133.3 -66.5 105.7 -3.4 62.4 42.1 453 194 B T S > S- 0 0 30 -2,-0.8 3,-1.3 29,-0.1 4,-0.2 -0.766 73.4 -84.5-137.8-172.1 -4.0 61.2 45.6 454 195 B D G >> S+ 0 0 83 1,-0.3 3,-1.1 -2,-0.2 4,-0.7 0.793 117.7 74.6 -63.3 -29.7 -2.0 60.6 48.8 455 196 B R G 34 S+ 0 0 119 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.712 113.8 22.4 -60.0 -23.6 -1.2 57.1 47.5 456 197 B N G <> S+ 0 0 10 -3,-1.3 4,-1.7 -5,-0.1 -1,-0.3 0.159 92.3 100.5-128.2 16.1 1.3 58.9 45.1 457 198 B A H <> S+ 0 0 30 -3,-1.1 4,-1.2 -4,-0.2 5,-0.2 0.875 82.9 56.7 -63.4 -39.2 2.0 62.2 46.9 458 199 B D H X S+ 0 0 123 -4,-0.7 4,-0.7 2,-0.2 -1,-0.2 0.894 110.5 40.0 -63.2 -44.8 5.2 60.7 48.1 459 200 B R H > S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.898 115.1 53.8 -64.7 -42.5 6.7 59.8 44.7 460 201 B R H < S+ 0 0 71 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.680 113.5 41.2 -64.7 -32.4 5.4 63.0 43.3 461 202 B A H < S+ 0 0 83 -4,-1.2 -1,-0.2 -3,-0.1 -2,-0.2 0.577 115.9 52.6 -87.9 -17.7 7.1 65.1 45.9 462 203 B Q H < S+ 0 0 143 -4,-0.7 -2,-0.2 -3,-0.4 -3,-0.1 0.626 124.5 11.9-104.3 -25.9 10.1 63.1 45.8 463 204 B D X + 0 0 80 -4,-1.6 4,-2.3 2,-0.0 -1,-0.2 -0.485 65.0 173.3-150.5 74.4 11.2 62.9 42.2 464 205 B P H > S+ 0 0 56 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.768 80.8 46.7 -61.7 -30.6 9.2 65.4 40.3 465 206 B E H > S+ 0 0 140 2,-0.2 4,-2.6 3,-0.2 5,-0.3 0.916 111.4 49.9 -70.5 -50.3 11.1 65.0 37.0 466 207 B G H > S+ 0 0 34 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.890 117.3 45.3 -48.6 -40.5 11.0 61.2 37.2 467 208 B W H X S+ 0 0 27 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.950 110.7 48.4 -72.4 -54.4 7.2 61.7 37.8 468 209 B D H X S+ 0 0 92 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.862 113.2 50.8 -54.9 -36.0 6.5 64.3 35.1 469 210 B E H X S+ 0 0 99 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.856 110.7 48.0 -75.0 -34.2 8.3 62.1 32.6 470 211 B Y H X S+ 0 0 103 -4,-1.5 4,-0.6 -5,-0.3 3,-0.4 0.929 115.3 43.8 -71.1 -42.9 6.3 59.0 33.6 471 212 B V H >X S+ 0 0 12 -4,-2.9 3,-1.0 1,-0.2 4,-0.9 0.887 103.0 66.7 -69.5 -35.1 3.0 60.8 33.4 472 213 B R H 3< S+ 0 0 148 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.855 116.1 26.6 -54.8 -36.3 3.8 62.6 30.2 473 214 B T H 3< S+ 0 0 90 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.397 101.3 88.4-107.8 3.2 3.9 59.2 28.3 474 215 B L H << S+ 0 0 29 -3,-1.0 2,-0.2 -4,-0.6 -2,-0.1 0.968 98.7 2.4 -68.1 -52.3 1.5 57.2 30.5 475 216 B N S >< S- 0 0 10 -4,-0.9 3,-1.3 35,-0.0 37,-0.2 -0.746 84.3 -91.5-133.7 175.4 -1.8 58.1 28.9 476 217 B W T 3 S+ 0 0 67 35,-2.8 -292,-0.3 1,-0.3 35,-0.2 0.744 123.6 48.9 -67.5 -23.2 -3.1 60.1 25.9 477 218 B M T 3 S- 0 0 25 33,-1.1 -1,-0.3 34,-0.3 34,-0.1 0.574 102.1-134.1 -87.3 -11.9 -3.6 63.3 27.9 478 219 B G < + 0 0 22 -3,-1.3 2,-0.3 33,-0.2 -2,-0.1 0.860 69.0 85.6 63.8 38.6 -0.1 63.0 29.4 479 220 B R S S- 0 0 66 -8,-0.1 2,-0.2 31,-0.1 -2,-0.2 -0.991 79.1 -99.7-158.5 163.1 -1.3 63.8 33.0 480 221 B A - 0 0 14 -2,-0.3 -29,-0.2 -3,-0.1 2,-0.1 -0.626 42.1-120.1 -81.0 147.0 -2.7 62.4 36.2 481 222 B G B -p 451 0F 0 -31,-3.0 -29,-2.8 -2,-0.2 -1,-0.1 -0.350 22.9-120.4 -78.0 167.2 -6.5 62.8 36.8 482 223 B R > - 0 0 101 -31,-0.2 3,-2.3 1,-0.1 4,-0.3 -0.849 20.5-117.5-107.0 150.9 -7.9 64.7 39.8 483 224 B P G > S+ 0 0 32 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.880 115.5 61.6 -54.0 -37.6 -10.2 63.1 42.3 484 225 B E G > S+ 0 0 75 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.746 91.2 67.4 -62.1 -21.3 -12.9 65.6 41.4 485 226 B E G < S+ 0 0 7 -3,-2.3 -239,-0.3 1,-0.2 -1,-0.3 0.512 93.8 60.0 -77.8 -2.0 -12.8 64.2 37.8 486 227 B M G <> S+ 0 0 0 -3,-2.2 4,-1.7 -4,-0.3 -1,-0.2 0.582 87.3 79.2 -90.5 -11.9 -14.2 60.9 39.1 487 228 B V H <> S+ 0 0 3 -3,-1.1 4,-2.7 -4,-0.3 5,-0.2 0.859 83.8 53.0 -74.8 -42.2 -17.4 62.6 40.4 488 229 B G H > S+ 0 0 2 -4,-0.4 4,-2.3 -245,-0.2 -1,-0.2 0.912 112.3 48.3 -55.1 -46.2 -19.6 63.0 37.4 489 230 B A H > S+ 0 0 0 -246,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.874 110.3 50.7 -64.1 -43.7 -19.2 59.3 36.6 490 231 B A H X S+ 0 0 1 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.910 110.1 50.5 -61.2 -41.8 -20.0 58.3 40.2 491 232 B L H X S+ 0 0 1 -4,-2.7 4,-0.6 2,-0.2 6,-0.2 0.896 109.8 51.1 -62.2 -41.3 -23.1 60.5 40.1 492 233 B F H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 6,-0.5 0.951 114.4 42.2 -59.9 -48.3 -24.1 58.8 36.8 493 234 B L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.642 114.5 52.2 -76.4 -12.0 -23.7 55.3 38.3 494 235 B A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.471 106.9 56.4 -99.1 -5.2 -25.4 56.3 41.6 495 236 B S S X< S- 0 0 0 -3,-0.9 3,-1.3 -4,-0.6 -229,-0.1 -0.508 99.8 -85.1-123.2-177.7 -28.6 57.8 40.2 496 237 B E G > S+ 0 0 92 -229,-0.4 3,-2.2 1,-0.2 -230,-0.1 0.747 109.6 85.3 -60.4 -19.9 -31.6 57.1 38.0 497 238 B A G 3 S+ 0 0 7 -232,-0.6 -262,-0.4 1,-0.3 3,-0.3 0.769 88.3 46.8 -58.2 -28.4 -29.4 58.2 35.2 498 239 B C G X S+ 0 0 0 -3,-1.3 3,-2.6 -6,-0.5 -1,-0.3 0.109 71.7 129.4-103.9 26.0 -28.0 54.7 34.7 499 240 B S T < S+ 0 0 13 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.671 78.2 41.6 -53.9 -22.3 -31.3 52.9 34.9 500 241 B F T 3 S+ 0 0 0 -269,-0.3 -244,-2.5 -3,-0.3 2,-0.4 0.112 104.0 83.3-111.4 22.6 -30.6 51.0 31.6 501 242 B M < + 0 0 0 -3,-2.6 2,-0.3 -247,-0.2 -247,-0.1 -0.970 47.2 143.9-131.1 123.5 -27.0 50.2 32.5 502 243 B T + 0 0 0 -2,-0.4 -244,-0.4 -249,-0.2 -58,-0.2 -0.990 57.4 25.9-157.7 148.1 -25.6 47.4 34.7 503 244 B G S S+ 0 0 4 -60,-3.4 -59,-0.2 -2,-0.3 2,-0.2 0.614 94.0 118.2 78.7 17.0 -22.6 45.0 34.9 504 245 B E - 0 0 33 -61,-0.4 -59,-2.6 -75,-0.1 2,-0.4 -0.505 56.6-130.1-116.2 176.6 -20.5 47.5 33.0 505 246 B T E -n 445 0D 21 -61,-0.2 2,-0.6 -2,-0.2 -59,-0.2 -0.993 2.5-155.4-132.2 134.9 -17.3 49.5 33.5 506 247 B I E -n 446 0D 0 -61,-2.4 -59,-3.3 -2,-0.4 2,-0.6 -0.959 18.1-154.3-104.6 117.8 -16.6 53.2 33.0 507 248 B F E -n 447 0D 25 -2,-0.6 2,-0.7 -256,-0.2 -259,-0.2 -0.852 14.9-178.5 -96.5 118.9 -12.8 53.7 32.4 508 249 B L E +n 448 0D 0 -61,-1.9 -59,-2.5 -2,-0.6 -261,-0.2 -0.829 31.9 134.8-114.0 87.5 -11.5 57.1 33.3 509 250 B T S S- 0 0 3 -2,-0.7 -59,-0.4 -61,-0.3 -262,-0.2 0.325 76.4-104.9-119.5 1.4 -7.8 56.8 32.3 510 251 B G S S- 0 0 0 -264,-2.3 -33,-1.1 -3,-0.1 -263,-0.2 0.542 87.9 -47.4 79.3 7.8 -6.9 59.9 30.4 511 252 B G 0 0 0 -265,-0.4 -35,-2.8 -35,-0.2 -34,-0.3 0.556 360.0 360.0 94.4 114.5 -7.1 57.7 27.3 512 253 B Y 0 0 90 -264,-0.4 -263,-0.1 -37,-0.2 -2,-0.0 0.340 360.0 360.0-161.4 360.0 -5.2 54.4 27.4