==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-SEP-13 4MOU . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE/ISOMERASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER AURESCENS; . AUTHOR H.C.CHAPMAN,D.R.COOPER,K.T.GEFFKEN,M.T.CYMBOROWSKI,T.OSINSKI . 780 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 5.8 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 42 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 3 3 0 6 0 0 8 4 0 3 5 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 6 6 0 3 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 3 3 0 0 0 3 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 . 3 0 3 0 3 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 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 8 A A 0 0 160 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.1 19.8 8.0 61.9 2 9 A R - 0 0 207 1,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.561 360.0-107.6 -85.6 150.3 18.7 7.2 58.3 3 10 A P - 0 0 87 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.553 34.2-101.4 -80.1 152.3 21.1 8.1 55.4 4 11 A R - 0 0 196 -2,-0.2 21,-0.2 1,-0.1 2,-0.1 -0.524 52.7 -98.9 -64.1 134.8 20.2 10.9 53.0 5 12 A T - 0 0 85 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.305 31.3-117.1 -68.0 138.8 18.9 9.4 49.8 6 13 A G + 0 0 7 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.391 45.7 165.6 -71.3 142.2 21.1 9.0 46.8 7 14 A R E -A 22 0A 75 15,-2.3 15,-2.5 -2,-0.1 2,-0.5 -0.989 39.2-126.2-154.6 163.0 20.0 11.0 43.8 8 15 A I E -A 21 0A 17 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.973 36.0-177.9-114.4 124.1 20.9 12.3 40.4 9 16 A S E -A 20 0A 46 11,-1.8 11,-2.6 -2,-0.5 2,-0.4 -0.793 12.5-152.9-119.9 164.3 20.5 16.0 40.1 10 17 A V E -A 19 0A 57 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.990 5.9-169.1-140.0 143.1 20.9 18.5 37.3 11 18 A A E -A 18 0A 60 7,-1.7 7,-3.1 -2,-0.4 2,-0.5 -0.998 11.7-157.3-128.0 135.5 21.7 22.1 37.1 12 19 A I E +A 17 0A 72 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.960 24.7 145.9-122.5 124.8 21.3 24.1 34.0 13 20 A A E > -A 16 0A 59 3,-1.9 3,-2.3 -2,-0.5 -2,-0.1 -0.943 68.0 -3.7-154.5 135.3 23.1 27.4 33.2 14 21 A D T 3 S- 0 0 144 1,-0.3 3,-0.1 -2,-0.3 37,-0.1 0.854 128.7 -53.6 54.1 37.6 24.5 29.0 30.0 15 22 A G T 3 S+ 0 0 12 35,-0.5 37,-2.8 1,-0.2 38,-2.3 0.499 113.1 117.5 76.1 6.7 23.7 25.9 27.9 16 23 A V E < -Ab 13 53A 20 -3,-2.3 -3,-1.9 36,-0.2 2,-0.7 -0.937 49.4-158.6-108.2 126.5 25.5 23.5 30.2 17 24 A A E -Ab 12 54A 0 36,-2.9 38,-2.5 -2,-0.5 2,-0.8 -0.894 10.0-158.8 -97.3 108.9 23.6 20.8 32.1 18 25 A S E -Ab 11 55A 57 -7,-3.1 -7,-1.7 -2,-0.7 2,-0.5 -0.813 6.6-163.4 -88.2 112.8 25.7 19.7 35.1 19 26 A V E -Ab 10 56A 2 36,-3.0 38,-2.5 -2,-0.8 2,-0.5 -0.810 6.3-160.8 -98.0 127.9 24.6 16.3 36.1 20 27 A E E -Ab 9 57A 81 -11,-2.6 -11,-1.8 -2,-0.5 2,-0.9 -0.922 16.8-146.9-118.1 126.1 25.7 15.3 39.6 21 28 A I E -Ab 8 58A 0 36,-2.3 38,-2.8 -2,-0.5 2,-0.6 -0.840 29.1-175.1 -87.0 108.9 25.9 11.8 41.0 22 29 A S E +A 7 0A 6 -15,-2.5 -15,-2.3 -2,-0.9 36,-0.1 -0.828 38.3 111.5-121.0 98.2 25.1 12.5 44.6 23 30 A N > > + 0 0 6 -2,-0.6 5,-2.3 -17,-0.2 3,-1.9 -0.303 28.1 164.6-154.8 63.3 25.2 9.7 47.2 24 31 A L G > 5 + 0 0 96 1,-0.3 3,-2.1 3,-0.3 -18,-0.0 0.776 68.2 67.3 -61.3 -32.5 28.2 10.7 49.4 25 32 A A G 3 5S+ 0 0 78 1,-0.3 -1,-0.3 -21,-0.2 -20,-0.0 0.764 113.4 33.9 -59.9 -26.6 27.3 8.4 52.3 26 33 A Q G X 5S- 0 0 75 -3,-1.9 3,-0.9 3,-0.1 -1,-0.3 -0.066 125.2 -98.8-114.6 28.7 28.2 5.5 49.9 27 34 A R T < 5S- 0 0 92 -3,-2.1 38,-0.7 1,-0.3 -3,-0.3 0.903 80.3 -56.2 55.9 39.7 30.9 7.4 48.0 28 35 A N T 3 - 0 0 14 -2,-0.6 4,-2.1 36,-0.2 5,-0.1 -0.475 38.6-101.5 -87.3 172.2 21.4 2.7 43.6 32 39 A K H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.939 124.0 52.4 -60.1 -45.9 18.7 1.3 41.3 33 40 A D H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 107.2 52.2 -58.6 -41.0 16.7 4.5 41.7 34 41 A X H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 108.5 51.0 -60.9 -42.7 19.7 6.6 40.7 35 42 A C H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.882 109.5 50.3 -62.4 -38.4 20.1 4.4 37.6 36 43 A L H X S+ 0 0 45 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.884 107.8 53.9 -65.7 -37.9 16.4 5.0 36.7 37 44 A E H X S+ 0 0 64 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.893 108.6 48.0 -64.0 -38.5 16.8 8.7 37.1 38 45 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.936 110.2 53.7 -64.4 -44.6 19.7 8.8 34.7 39 46 A Q H < S+ 0 0 60 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.908 115.7 37.9 -59.1 -40.3 17.7 6.7 32.3 40 47 A E H X S+ 0 0 121 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.821 115.3 53.6 -78.3 -33.2 14.8 9.2 32.4 41 48 A L H >X S+ 0 0 24 -4,-2.4 4,-2.4 -5,-0.2 3,-0.7 0.888 94.9 65.0 -72.0 -41.7 16.9 12.3 32.5 42 49 A X H 3X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.3 5,-0.2 0.932 102.3 47.3 -59.8 -50.0 19.1 11.8 29.5 43 50 A P H 3> S+ 0 0 75 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.841 110.2 54.0 -56.7 -32.2 16.5 12.0 26.9 44 51 A Q H < - 0 0 45 -4,-1.1 3,-2.0 -3,-0.3 -4,-0.0 -0.631 58.5-157.2 -79.1 114.4 15.8 20.5 26.0 49 56 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.712 90.9 64.8 -66.4 -14.0 16.8 23.5 23.7 50 57 A D T 3 S+ 0 0 115 2,-0.0 2,-0.5 -3,-0.0 -35,-0.5 0.460 90.8 79.1 -82.1 -0.8 18.4 25.2 26.7 51 58 A V < + 0 0 0 -3,-2.0 -35,-0.2 -6,-0.2 3,-0.1 -0.948 39.6 154.4-113.5 124.2 21.0 22.5 26.9 52 59 A A S S+ 0 0 5 -37,-2.8 2,-0.3 -2,-0.5 -36,-0.2 0.702 70.7 27.1-110.2 -34.7 24.0 22.3 24.6 53 60 A V E -b 16 0A 0 -38,-2.3 -36,-2.9 48,-0.1 2,-0.4 -0.977 64.0-149.4-134.4 145.0 26.6 20.4 26.6 54 61 A V E -bc 17 103A 4 48,-2.6 50,-2.1 -2,-0.3 2,-0.4 -0.926 10.1-168.8-116.5 131.9 26.2 17.8 29.4 55 62 A V E -bc 18 104A 9 -38,-2.5 -36,-3.0 -2,-0.4 2,-0.5 -0.995 6.3-157.8-122.1 126.7 28.8 17.4 32.2 56 63 A L E +bc 19 105A 7 48,-2.9 50,-2.7 -2,-0.4 2,-0.3 -0.916 25.3 154.2-112.6 128.8 28.7 14.4 34.4 57 64 A R E -bc 20 106A 51 -38,-2.5 -36,-2.3 -2,-0.5 2,-0.2 -0.994 39.3-111.0-152.4 149.7 30.4 14.7 37.8 58 65 A G E -b 21 0A 5 48,-0.6 -36,-0.2 -2,-0.3 5,-0.1 -0.554 38.6-104.2 -82.9 150.6 30.3 13.3 41.3 59 66 A A S > S- 0 0 6 -38,-2.8 3,-1.0 4,-0.2 -36,-0.1 -0.461 89.7 -7.6 -64.0 143.2 29.1 15.3 44.4 60 67 A G T 3 S- 0 0 43 1,-0.2 -2,-0.1 -2,-0.1 48,-0.0 -0.338 125.6 -33.0 68.9-139.6 32.0 16.4 46.5 61 68 A D T 3 S+ 0 0 101 46,-0.0 2,-0.3 -2,-0.0 -1,-0.2 0.023 116.4 71.9-113.6 33.4 35.4 15.1 45.7 62 69 A T < - 0 0 21 -3,-1.0 47,-0.3 47,-0.2 49,-0.1 -0.978 58.6-152.0-146.1 149.9 34.6 11.6 44.4 63 70 A F - 0 0 0 45,-1.2 2,-0.3 47,-1.0 -4,-0.2 0.967 62.9 -39.4 -88.5 -68.1 33.0 10.4 41.2 64 71 A C B -g 111 0C 0 46,-1.9 48,-2.5 44,-0.2 -35,-0.2 -0.876 28.8-152.5-169.1 130.9 31.3 7.1 41.7 65 72 A A - 0 0 34 -38,-0.7 -36,-0.2 1,-0.3 2,-0.2 0.421 55.8-113.2 -92.4 5.8 31.9 3.9 43.6 66 73 A G - 0 0 1 -38,-0.4 -36,-2.8 47,-0.2 -1,-0.3 -0.569 67.1 -9.4 101.9-170.0 29.9 1.7 41.2 67 74 A A B S-f 30 0B 12 -38,-0.2 2,-0.3 -2,-0.2 -36,-0.2 -0.460 86.9 -98.7 -60.7 135.9 26.7 -0.2 41.7 68 75 A S > - 0 0 4 -38,-2.6 3,-1.5 1,-0.2 7,-0.2 -0.498 29.8-148.6 -61.5 122.8 25.9 -0.1 45.4 69 76 A I G > S+ 0 0 31 -2,-0.3 3,-1.6 1,-0.3 4,-0.2 0.874 94.9 61.9 -68.1 -32.9 27.1 -3.5 46.7 70 77 A S G 3 S+ 0 0 71 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.592 119.3 26.4 -71.8 -8.9 24.3 -3.6 49.3 71 78 A E G X> S+ 0 0 66 -3,-1.5 4,-1.3 2,-0.1 3,-0.5 0.000 81.9 135.1-134.0 39.0 21.8 -3.6 46.5 72 79 A L H <> + 0 0 8 -3,-1.6 4,-2.6 1,-0.3 3,-0.4 0.845 69.8 50.5 -59.1 -40.1 23.8 -5.1 43.8 73 80 A A H 3> S+ 0 0 52 1,-0.2 4,-2.2 -4,-0.2 -1,-0.3 0.868 106.9 55.3 -70.7 -33.8 21.1 -7.6 42.5 74 81 A S H <4 S+ 0 0 33 -3,-0.5 -1,-0.2 1,-0.2 14,-0.2 0.790 114.0 41.2 -71.5 -19.8 18.6 -4.8 42.2 75 82 A V H < S+ 0 0 0 -4,-1.3 13,-2.3 -3,-0.4 14,-0.9 0.886 131.7 20.7 -88.0 -43.6 20.9 -2.8 40.0 76 83 A L H < S+ 0 0 4 -4,-2.6 -3,-0.2 11,-0.2 -2,-0.2 0.743 135.4 28.5 -96.9 -29.8 22.3 -5.6 37.8 77 84 A L S < S+ 0 0 21 -4,-2.2 10,-0.2 -5,-0.4 -1,-0.2 -0.388 73.6 168.9-131.7 52.2 19.8 -8.5 38.0 78 85 A D E -J 86 0D 20 8,-2.6 8,-1.9 -3,-0.2 -4,-0.1 -0.557 35.4-123.5 -78.4 118.2 16.5 -6.7 38.7 79 86 A P E -J 85 0D 97 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.293 26.4-158.4 -69.7 142.8 13.6 -9.2 38.3 80 87 A Q > - 0 0 51 4,-2.6 3,-2.5 1,-0.1 4,-0.0 -0.823 29.7-108.1-119.2 155.1 10.9 -8.3 35.9 81 88 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.812 116.6 58.0 -57.1 -31.4 7.3 -9.6 35.6 82 89 A D T 3 S- 0 0 128 1,-0.1 3,-0.1 2,-0.0 0, 0.0 0.376 121.9-104.2 -79.5 7.0 8.0 -11.6 32.5 83 90 A G S < S+ 0 0 71 -3,-2.5 2,-0.1 1,-0.3 -1,-0.1 0.395 87.8 111.1 88.7 -6.8 10.7 -13.6 34.4 84 91 A S - 0 0 55 -5,-0.0 -4,-2.6 -6,-0.0 2,-0.3 -0.332 61.9-124.4 -84.7 178.6 13.7 -11.9 32.8 85 92 A T E -J 79 0D 70 -6,-0.2 2,-0.4 -2,-0.1 -8,-0.1 -0.935 12.8-140.0-124.2 155.5 16.1 -9.5 34.6 86 93 A A E -J 78 0D 2 -8,-1.9 -8,-2.6 -2,-0.3 2,-0.9 -0.915 5.0-147.3-115.4 141.0 17.1 -6.0 33.9 87 94 A D > - 0 0 24 -2,-0.4 4,-1.8 -10,-0.2 -11,-0.2 -0.841 17.2-177.8-102.8 97.8 20.5 -4.4 34.2 88 95 A H H > S+ 0 0 8 -13,-2.3 4,-2.0 -2,-0.9 -12,-0.2 0.780 78.8 59.9 -69.3 -26.9 19.7 -0.8 35.2 89 96 A L H > S+ 0 0 4 -14,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.949 108.2 45.3 -66.0 -46.0 23.3 0.2 35.2 90 97 A S H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.856 110.2 53.5 -64.4 -36.5 23.6 -0.7 31.6 91 98 A R H X S+ 0 0 108 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.864 109.7 48.8 -67.4 -32.4 20.4 1.0 30.7 92 99 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.956 110.1 51.9 -68.0 -47.2 21.7 4.1 32.3 93 100 A D H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.926 110.1 48.8 -47.4 -56.0 24.9 3.8 30.4 94 101 A S H X S+ 0 0 65 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.836 107.1 55.0 -58.6 -39.3 22.9 3.5 27.1 95 102 A A H < S+ 0 0 19 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.918 111.8 44.4 -59.5 -41.7 20.8 6.5 27.9 96 103 A I H >< S+ 0 0 4 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.922 112.7 51.0 -67.3 -44.2 24.0 8.5 28.3 97 104 A A H 3< S+ 0 0 37 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.737 103.4 60.6 -68.3 -20.2 25.6 7.1 25.2 98 105 A A T 3< S+ 0 0 73 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.499 75.1 119.1 -84.5 -4.2 22.5 7.9 23.1 99 106 A L < - 0 0 4 -3,-1.5 4,-0.1 -4,-0.2 -3,-0.0 -0.460 52.6-158.5 -59.3 132.7 22.8 11.6 23.9 100 107 A S S S+ 0 0 52 -2,-0.1 -1,-0.2 2,-0.1 115,-0.1 0.732 72.6 80.2 -83.1 -19.7 23.3 13.4 20.6 101 108 A K S S- 0 0 4 1,-0.1 -48,-0.1 113,-0.1 -49,-0.1 -0.469 98.8 -87.6 -82.5 154.4 24.8 16.4 22.5 102 109 A P - 0 0 2 0, 0.0 -48,-2.6 0, 0.0 2,-0.4 -0.382 46.8-171.4 -60.9 138.2 28.5 16.5 23.8 103 110 A A E -c 54 0A 2 -50,-0.2 20,-2.2 -4,-0.1 21,-0.8 -1.000 5.8-171.8-136.6 128.8 28.9 14.9 27.2 104 111 A V E -cd 55 124A 0 -50,-2.1 -48,-2.9 -2,-0.4 2,-0.5 -0.981 14.7-144.7-122.1 135.0 32.0 14.9 29.3 105 112 A A E -cd 56 125A 0 19,-2.2 21,-2.5 -2,-0.4 2,-0.6 -0.887 8.6-159.5 -97.2 125.7 32.8 13.1 32.6 106 113 A L E -cd 57 126A 6 -50,-2.7 -48,-0.6 -2,-0.5 2,-0.5 -0.951 16.2-162.6-105.0 108.3 34.9 15.0 35.1 107 114 A V E + d 0 127A 0 19,-2.7 21,-2.7 -2,-0.6 2,-0.3 -0.867 18.9 161.0-105.6 118.7 36.4 12.3 37.4 108 115 A D - 0 0 5 -2,-0.5 -45,-1.2 19,-0.2 -44,-0.2 -0.898 57.4 -1.3-123.7 161.5 37.8 13.1 40.8 109 116 A G S S- 0 0 19 -2,-0.3 23,-2.4 -47,-0.3 2,-0.3 -0.301 117.6 -1.6 62.9-136.7 38.5 10.8 43.7 110 117 A A E - h 0 132C 23 21,-0.2 -46,-1.9 -49,-0.1 -47,-1.0 -0.669 47.6-178.4 -97.7 137.9 37.5 7.3 43.1 111 118 A C E +gh 64 133C 1 21,-2.4 23,-1.6 -2,-0.3 2,-0.3 -0.920 28.4 172.4-127.7 99.8 35.8 5.9 40.0 112 119 A X E > - h 0 134C 41 -48,-2.5 3,-3.0 -2,-0.4 23,-0.2 -0.797 42.4 -28.7-121.0 154.1 35.2 2.1 40.9 113 120 A G T >> S+ 0 0 10 21,-1.6 3,-1.1 1,-0.3 4,-0.5 -0.154 134.2 6.6 45.7-117.4 33.5 -0.8 39.3 114 121 A G H 3> S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.541 112.6 85.6 -75.7 -3.6 30.6 0.4 37.2 115 122 A G H <> S+ 0 0 0 -3,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.923 89.5 50.7 -57.3 -41.1 31.6 4.0 37.8 116 123 A W H <> S+ 0 0 0 -3,-1.1 4,-3.2 1,-0.2 -1,-0.2 0.884 106.4 55.9 -66.2 -34.0 33.9 3.7 34.8 117 124 A Q H X S+ 0 0 0 -4,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.913 110.6 42.7 -63.6 -43.7 31.1 2.3 32.8 118 125 A I H >< S+ 0 0 0 -4,-1.9 3,-0.9 2,-0.2 4,-0.5 0.948 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1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.797 118.6 30.8 -64.2 -26.0 45.7 22.5 41.8 190 197 A S G <> S+ 0 0 27 -3,-1.0 4,-2.6 1,-0.1 5,-0.3 0.336 87.2 106.1-116.9 13.5 44.4 23.5 38.3 191 198 A F H S+ 0 0 106 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.954 114.5 46.7 -70.0 -46.8 38.7 23.3 38.4 193 200 A E H > S+ 0 0 138 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 115.2 46.5 -59.9 -43.1 40.0 26.0 36.2 194 201 A K H X S+ 0 0 111 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.888 111.3 50.2 -73.4 -33.5 40.9 23.6 33.4 195 202 A C H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.921 111.1 50.2 -65.9 -40.9 37.6 21.8 33.5 196 203 A A H X S+ 0 0 62 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.914 112.0 47.3 -64.8 -39.3 35.8 25.2 33.4 197 204 A A H X S+ 0 0 57 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.902 109.8 54.1 -68.4 -37.8 37.9 26.3 30.4 198 205 A L H X S+ 0 0 14 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.950 110.1 46.0 -60.0 -46.4 37.2 22.9 28.7 199 206 A V H X S+ 0 0 20 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.907 110.1 53.1 -62.6 -43.1 33.5 23.4 29.1 200 207 A R H X S+ 0 0 57 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52.0 -61.7 -42.3 53.8 16.7 21.1 437 181 B P H > S+ 0 0 57 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.930 112.5 46.9 -66.4 -33.5 54.1 14.6 24.3 438 182 B E H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.913 110.1 52.7 -65.2 -41.2 50.3 14.9 24.8 439 183 B A H X>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 4,-0.7 0.903 109.5 49.7 -61.7 -38.5 49.7 14.0 21.2 440 184 B R H ><5S+ 0 0 72 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.2 0.933 107.3 52.5 -64.8 -46.2 51.9 11.0 21.7 441 185 B A H 3<5S+ 0 0 59 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.852 111.0 49.9 -57.3 -37.9 50.0 9.9 24.9 442 186 B L H 3<5S- 0 0 7 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.622 119.3-111.8 -74.2 -16.7 46.8 10.1 22.9 443 187 B G T <<5S+ 0 0 20 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.484 82.1 121.3 98.1 4.0 48.1 8.1 20.0 444 188 B L S > - 0 0 49 0, 0.0 3,-1.0 0, 0.0 4,-0.6 -0.206 33.4-116.0 -55.0 150.5 63.8 16.4 22.0 451 195 B S G >4 S+ 0 0 44 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.845 109.8 58.2 -61.9 -39.2 64.4 19.4 19.9 452 196 B E G 34 S+ 0 0 170 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.802 118.9 30.7 -66.3 -24.3 68.2 19.4 20.3 453 197 B S G <> S+ 0 0 40 -3,-1.0 4,-2.7 2,-0.1 5,-0.3 0.301 88.1 104.9-115.4 11.1 68.5 15.9 18.8 454 198 B F H S+ 0 0 111 -4,-0.5 4,-2.5 2,-0.2 5,-0.2 0.950 114.4 45.8 -65.1 -49.5 67.5 16.3 13.3 456 200 B E H > S+ 0 0 116 1,-0.2 4,-2.3 -4,-0.2 5,-0.2 0.931 114.9 48.0 -60.2 -43.7 70.1 13.6 14.1 457 201 B K H X S+ 0 0 124 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.877 110.7 49.2 -70.9 -33.7 67.5 11.2 15.2 458 202 B C H X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.923 110.8 51.6 -70.0 -39.8 65.3 11.7 12.1 459 203 B A H X S+ 0 0 41 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.927 112.2 46.4 -62.4 -40.2 68.4 11.2 9.9 460 204 B A H X S+ 0 0 35 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.900 109.7 53.9 -67.3 -39.5 69.3 8.0 11.7 461 205 B L H X S+ 0 0 15 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.940 109.5 48.0 -57.9 -47.9 65.7 6.8 11.4 462 206 B V H X S+ 0 0 22 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.914 109.5 52.7 -61.5 -43.0 65.8 7.4 7.7 463 207 B R H X S+ 0 0 143 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.890 107.6 53.3 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226 C L H >< S+ 0 0 29 -4,-1.4 3,-1.9 -5,-0.2 2,-0.3 0.627 82.3 115.6 -83.2 -13.8 35.3 -13.3 21.6 742 227 C T T << S+ 0 0 3 -3,-1.3 -584,-0.1 -4,-0.9 -3,-0.0 -0.475 91.7 0.8 -69.5 123.7 34.8 -9.6 21.3 743 228 C D T 3 0 0 111 -2,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.459 360.0 360.0 67.6 14.9 34.9 -8.6 17.6 744 229 C S < 0 0 123 -3,-1.9 -2,-0.2 0, 0.0 -3,-0.1 0.699 360.0 360.0-102.7 360.0 35.5 -12.2 16.4 745 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 746 233 C A > 0 0 102 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -61.4 24.5 -15.0 17.8 747 234 C G H > + 0 0 59 2,-0.2 4,-1.5 1,-0.1 5,-0.1 0.919 360.0 39.6 -64.3 -49.6 27.6 -17.1 18.7 748 235 C I H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.856 112.5 57.8 -72.0 -33.9 28.8 -14.3 21.0 749 236 C D H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 105.1 50.3 -61.0 -41.0 25.2 -13.6 22.2 750 237 C Q H X S+ 0 0 123 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.885 109.0 51.2 -66.3 -39.6 24.8 -17.2 23.4 751 238 C E H X S+ 0 0 61 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.893 111.5 47.9 -62.8 -41.0 28.0 -17.1 25.3 752 239 C W H X S+ 0 0 15 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.945 111.8 49.4 -65.1 -42.0 27.0 -13.9 27.0 753 240 C A H X S+ 0 0 45 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.920 112.8 47.3 -65.9 -42.2 23.6 -15.3 27.9 754 241 C A H X S+ 0 0 54 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.907 115.5 44.1 -63.1 -44.2 25.2 -18.5 29.3 755 242 C A H X S+ 0 0 16 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.930 113.9 49.1 -70.5 -40.2 27.8 -16.6 31.4 756 243 C W H < S+ 0 0 47 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.907 113.9 46.9 -66.8 -39.1 25.4 -14.0 32.7 757 244 C S H X S+ 0 0 76 -4,-2.2 4,-0.6 -5,-0.3 -1,-0.2 0.880 111.1 51.4 -72.1 -35.7 22.9 -16.6 33.7 758 245 C A H >X S+ 0 0 38 -4,-2.3 4,-1.7 -5,-0.2 3,-0.6 0.827 94.2 79.7 -68.0 -25.0 25.7 -18.8 35.4 759 246 C X H >< S+ 0 0 0 -4,-1.7 3,-0.5 1,-0.3 6,-0.5 0.877 95.7 37.6 -55.0 -56.1 26.9 -15.7 37.4 760 247 C P H 34 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.724 114.8 57.9 -72.3 -17.4 24.4 -15.7 40.2 761 248 C D H << S+ 0 0 132 -3,-0.6 -2,-0.2 -4,-0.6 -3,-0.1 0.640 91.3 83.7 -82.8 -21.1 24.4 -19.6 40.2 762 249 C S S << S- 0 0 9 -4,-1.7 4,-0.5 -3,-0.5 3,-0.5 -0.589 84.8-129.7 -72.0 150.9 28.1 -19.7 40.9 763 250 C P S > S+ 0 0 62 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.682 92.7 79.8 -75.3 -17.6 29.0 -19.2 44.6 764 251 C D H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.854 85.0 56.8 -66.6 -35.7 31.6 -16.5 44.0 765 252 C X H > S+ 0 0 12 -6,-0.5 4,-2.5 -3,-0.5 -1,-0.2 0.951 109.9 44.1 -63.2 -48.7 29.1 -13.7 43.7 766 253 C G H > S+ 0 0 46 -4,-0.5 4,-2.2 2,-0.2 5,-0.2 0.907 115.3 49.8 -59.3 -38.7 27.5 -14.3 47.1 767 254 C I H X S+ 0 0 38 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.917 112.8 47.5 -68.3 -40.8 31.0 -14.7 48.7 768 255 C G H X S+ 0 0 1 -4,-3.0 4,-2.1 -628,-0.4 -2,-0.2 0.897 112.0 48.1 -67.8 -42.9 32.2 -11.5 47.1 769 256 C I H X S+ 0 0 36 -4,-2.5 4,-2.3 -629,-0.3 -2,-0.2 0.957 115.4 44.1 -61.6 -47.2 29.2 -9.5 48.1 770 257 C S H X S+ 0 0 58 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.904 111.0 53.4 -75.7 -30.3 29.3 -10.6 51.7 771 258 C A H <>S+ 0 0 4 -4,-2.3 5,-2.7 -5,-0.2 -1,-0.2 0.938 110.1 49.5 -63.2 -45.8 33.0 -10.3 52.0 772 259 C F H ><5S+ 0 0 119 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.938 111.5 47.2 -58.0 -48.3 32.8 -6.7 50.8 773 260 C L H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.819 113.7 48.4 -67.0 -29.4 30.0 -5.8 53.2 774 261 C N T 3<5S- 0 0 101 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.317 113.9-119.6 -91.9 10.0 31.9 -7.4 56.1 775 262 C R T < 5S+ 0 0 119 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.938 71.9 117.3 55.2 48.8 35.1 -5.6 55.2 776 263 C E S