==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-JUL-03 1UIY . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR B.BAGAUTDINOV,S.KURAMITSU,S.YOKOYAMA,M.MIYANO,T.H.TAHIROV,RI . 253 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 79.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.6 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 . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 42.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 0 3 0 0 2 1 0 1 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 2 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 PARALLEL BRIDGES PER LADDER . 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 X 0 0 95 0, 0.0 14,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 65.8 41.4 11.9 20.5 2 2 A V E -A 14 0A 35 12,-0.2 2,-0.4 28,-0.1 12,-0.2 -0.992 360.0-137.9-147.0 147.5 44.9 11.4 19.1 3 3 A Q E -A 13 0A 72 10,-1.8 10,-2.8 -2,-0.3 2,-0.5 -0.899 16.9-157.6-109.8 136.8 46.5 8.6 17.1 4 4 A V E -A 12 0A 58 -2,-0.4 2,-0.9 8,-0.2 8,-0.2 -0.944 11.3-167.6-123.2 118.8 50.1 7.5 17.9 5 5 A E E -A 11 0A 93 6,-2.5 6,-1.2 -2,-0.5 -2,-0.0 -0.814 25.2-146.6-101.4 94.2 52.4 5.7 15.5 6 6 A K + 0 0 129 -2,-0.9 2,-0.2 4,-0.2 3,-0.1 -0.106 41.5 116.9 -57.4 157.7 55.3 4.5 17.8 7 7 A G S S- 0 0 33 1,-0.1 3,-0.4 39,-0.1 39,-0.3 -0.852 83.0 -68.7 158.8 169.4 58.8 4.4 16.4 8 8 A H S S+ 0 0 121 1,-0.3 37,-3.4 -2,-0.2 38,-1.9 0.914 140.0 35.3 -48.8 -41.6 62.2 5.9 16.9 9 9 A V E S- b 0 46A 15 36,-0.2 -1,-0.3 35,-0.2 38,-0.2 -0.897 95.8-158.5-112.8 94.7 60.5 9.0 15.6 10 10 A A E - b 0 47A 0 36,-2.6 38,-3.8 -2,-0.7 2,-0.4 -0.355 0.1-149.3 -72.8 155.7 57.0 8.7 17.0 11 11 A V E -Ab 5 48A 1 -6,-1.2 -6,-2.5 36,-0.2 2,-0.5 -0.990 6.9-164.0-132.1 127.5 54.1 10.6 15.4 12 12 A V E -Ab 4 49A 1 36,-2.2 38,-2.7 -2,-0.4 2,-0.5 -0.938 6.8-159.3-113.3 127.9 51.0 12.0 17.1 13 13 A F E -Ab 3 50A 7 -10,-2.8 -10,-1.8 -2,-0.5 2,-0.9 -0.899 19.4-131.0-109.1 131.1 47.9 13.0 15.1 14 14 A L E -Ab 2 51A 0 36,-1.8 38,-2.1 -2,-0.5 2,-1.1 -0.700 28.9-153.2 -77.0 109.3 45.3 15.3 16.5 15 15 A N + 0 0 54 -14,-2.1 -1,-0.1 -2,-0.9 38,-0.1 -0.680 64.4 88.1 -96.4 89.5 42.2 13.3 15.6 16 16 A D >>> + 0 0 34 -2,-1.1 5,-1.7 36,-0.4 4,-1.5 -0.056 46.1 166.6-167.7 40.0 39.2 15.5 15.1 17 17 A P G >45S+ 0 0 36 0, 0.0 3,-0.9 0, 0.0 37,-0.2 0.781 72.3 42.3 -28.6 -69.0 39.4 16.4 11.4 18 18 A E G 345S+ 0 0 176 1,-0.3 35,-0.0 2,-0.1 -2,-0.0 0.817 115.6 48.5 -59.9 -33.2 36.0 17.9 10.7 19 19 A R G <45S- 0 0 90 -3,-1.0 -1,-0.3 3,-0.0 39,-0.0 0.710 118.0-121.0 -76.7 -17.8 35.9 19.9 13.9 20 20 A R T <<5 - 0 0 104 -4,-1.5 38,-2.0 -3,-0.9 -2,-0.1 0.703 52.4 -69.4 83.7 28.6 39.4 20.9 12.8 21 21 A N < - 0 0 1 -5,-1.7 38,-0.2 36,-0.2 2,-0.2 0.962 64.4-163.2 59.5 60.8 41.4 19.7 15.8 22 22 A P - 0 0 5 0, 0.0 2,-1.8 0, 0.0 5,-0.2 -0.480 26.5-122.0 -73.4 143.0 40.3 22.1 18.6 23 23 A L + 0 0 30 -2,-0.2 5,-0.0 4,-0.1 34,-0.0 -0.217 52.9 165.2 -79.9 49.8 42.4 22.2 21.7 24 24 A S > - 0 0 4 -2,-1.8 4,-3.1 1,-0.1 5,-0.3 -0.212 55.3-101.7 -62.5 157.8 39.4 21.3 23.8 25 25 A P H > S+ 0 0 76 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.890 125.9 50.4 -47.0 -44.6 40.0 20.1 27.4 26 26 A E H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.926 111.3 46.7 -60.8 -48.7 39.5 16.6 26.2 27 27 A X H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 110.1 53.9 -61.3 -42.5 41.9 16.9 23.3 28 28 A A H X S+ 0 0 10 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.912 110.7 47.3 -59.1 -43.1 44.5 18.6 25.6 29 29 A L H X S+ 0 0 112 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.909 109.1 51.3 -66.4 -44.9 44.2 15.6 27.9 30 30 A S H X S+ 0 0 21 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.898 108.1 54.1 -60.4 -39.1 44.5 13.0 25.3 31 31 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.859 108.2 49.8 -63.6 -35.6 47.6 14.7 24.0 32 32 A L H X S+ 0 0 34 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.976 105.0 55.4 -66.5 -54.4 49.2 14.6 27.4 33 33 A Q H X S+ 0 0 119 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.861 109.8 49.4 -46.0 -41.0 48.5 10.9 27.9 34 34 A A H X S+ 0 0 5 -4,-1.7 4,-3.2 1,-0.2 5,-0.4 0.979 106.7 52.3 -63.8 -56.8 50.4 10.3 24.7 35 35 A L H X S+ 0 0 7 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.815 110.2 52.2 -49.6 -33.9 53.4 12.4 25.6 36 36 A D H X S+ 0 0 74 -4,-2.3 4,-1.8 2,-0.2 3,-0.3 0.984 112.3 41.5 -67.4 -58.4 53.6 10.4 28.8 37 37 A D H >X S+ 0 0 81 -4,-2.1 3,-1.2 1,-0.3 4,-0.8 0.973 118.1 48.6 -50.5 -59.0 53.6 7.0 27.2 38 38 A L H 3< S+ 0 0 1 -4,-3.2 3,-0.3 1,-0.3 -1,-0.3 0.775 108.6 52.9 -54.0 -31.0 56.0 8.3 24.5 39 39 A E H 3< S+ 0 0 79 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.815 111.2 48.5 -75.5 -26.7 58.3 9.7 27.1 40 40 A A H << S+ 0 0 81 -4,-1.8 -2,-0.2 -3,-1.2 -1,-0.2 0.482 87.9 96.2 -88.8 -6.8 58.4 6.3 28.8 41 41 A D >< - 0 0 40 -4,-0.8 3,-2.2 -3,-0.3 -1,-0.1 -0.763 59.7-160.3 -92.8 104.7 59.1 4.4 25.6 42 42 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.538 90.4 61.8 -57.2 -9.3 62.9 3.8 25.4 43 43 A G T 3 S+ 0 0 29 -36,-0.0 2,-0.5 -5,-0.0 -5,-0.1 0.715 86.3 84.8 -90.1 -23.7 62.5 3.2 21.7 44 44 A V < + 0 0 1 -3,-2.2 -36,-0.2 -6,-0.2 -35,-0.2 -0.704 43.5 164.5 -84.6 122.0 61.1 6.6 21.0 45 45 A R + 0 0 76 -37,-3.4 2,-0.3 -2,-0.5 -36,-0.2 0.595 68.0 14.3-108.9 -19.9 63.9 9.2 20.5 46 46 A A E -b 9 0A 0 -38,-1.9 -36,-2.6 -39,-0.3 2,-0.4 -0.974 63.9-143.0-151.9 159.0 61.8 12.0 18.9 47 47 A V E -bc 10 97A 3 49,-2.2 51,-2.3 -2,-0.3 2,-0.3 -0.963 6.6-161.3-134.1 116.8 58.2 12.9 18.5 48 48 A V E -bc 11 98A 0 -38,-3.8 -36,-2.2 -2,-0.4 2,-0.4 -0.703 13.1-158.4 -90.7 149.9 56.6 14.5 15.4 49 49 A L E +bc 12 99A 8 49,-2.8 51,-3.8 -2,-0.3 2,-0.3 -0.994 23.2 146.3-134.0 127.0 53.3 16.2 16.0 50 50 A T E -bc 13 100A 5 -38,-2.7 -36,-1.8 -2,-0.4 2,-0.3 -0.866 37.6-102.8-147.3-179.8 50.7 16.9 13.3 51 51 A G E -b 14 0A 8 49,-0.5 2,-0.6 -2,-0.3 -36,-0.1 -0.882 19.0-127.8-118.9 148.5 47.0 17.1 12.6 52 52 A R S S+ 0 0 92 -38,-2.1 -36,-0.4 -2,-0.3 2,-0.3 -0.805 77.8 17.8 -89.8 116.5 44.5 14.8 10.8 53 53 A G S S- 0 0 49 -2,-0.6 -2,-0.1 1,-0.1 -35,-0.1 -0.871 115.4 -35.2 128.0-161.3 42.6 16.8 8.2 54 54 A K S S+ 0 0 186 -2,-0.3 2,-0.2 -37,-0.2 -1,-0.1 0.621 120.9 42.3 -77.3 -12.7 42.9 20.1 6.2 55 55 A A - 0 0 3 48,-0.3 50,-0.1 -3,-0.2 47,-0.1 -0.744 65.5-138.2-129.7 175.9 44.5 21.7 9.2 56 56 A F S S- 0 0 0 48,-2.3 49,-0.2 -2,-0.2 -4,-0.2 0.831 91.7 -33.1 -94.8 -53.4 47.0 21.3 12.1 57 57 A S B S+f 105 0B 2 47,-2.1 49,-1.7 -6,-0.1 -36,-0.2 -0.604 87.2 121.7-174.1 106.1 44.8 23.0 14.7 58 58 A A + 0 0 4 -38,-2.0 2,-0.2 47,-0.3 49,-0.1 -0.463 26.6 121.4-172.2 89.4 42.4 25.8 14.1 59 59 A G - 0 0 21 47,-0.3 -36,-0.1 -38,-0.2 -1,-0.0 -0.644 57.7-119.7-163.3 102.2 38.7 25.5 14.8 60 60 A A - 0 0 72 -2,-0.2 2,-1.7 1,-0.2 3,-0.2 -0.090 25.3-136.8 -41.1 119.0 36.5 27.6 17.1 61 61 A D >> - 0 0 17 1,-0.2 4,-2.3 2,-0.1 3,-2.0 -0.648 23.1-176.1 -83.6 86.4 35.2 25.3 19.8 62 62 A L H 3> S+ 0 0 119 -2,-1.7 4,-2.0 1,-0.3 -1,-0.2 0.820 82.6 63.2 -53.2 -31.9 31.6 26.7 19.8 63 63 A A H 3> S+ 0 0 61 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.851 110.8 40.1 -60.4 -32.3 30.9 24.3 22.6 64 64 A F H <> S+ 0 0 82 -3,-2.0 4,-1.8 2,-0.2 3,-0.3 0.916 109.4 54.8 -82.2 -51.3 33.5 26.3 24.5 65 65 A L H X S+ 0 0 53 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.845 107.3 54.8 -54.4 -34.5 32.7 29.8 23.4 66 66 A E H < S+ 0 0 138 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.918 117.9 31.5 -66.7 -43.7 29.1 29.2 24.6 67 67 A R H >< S+ 0 0 171 -4,-0.8 3,-3.4 -3,-0.3 4,-0.5 0.987 101.6 73.9 -76.8 -67.0 30.0 28.2 28.1 68 68 A V H >< S+ 0 0 26 -4,-1.8 3,-1.5 1,-0.3 -3,-0.1 0.616 89.7 59.0 -14.6 -60.9 33.2 30.2 28.9 69 69 A T T 3< S+ 0 0 118 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.508 112.0 42.9 -60.0 -2.3 31.5 33.6 29.4 70 70 A E T < S+ 0 0 134 -3,-3.4 -1,-0.3 2,-0.1 -2,-0.2 0.491 86.6 108.8-120.5 -8.9 29.4 32.0 32.1 71 71 A L S < S- 0 0 45 -3,-1.5 2,-0.2 -4,-0.5 3,-0.0 -0.215 73.2-101.8 -66.2 161.5 31.9 29.9 34.1 72 72 A G >> - 0 0 23 1,-0.1 4,-2.9 4,-0.0 3,-1.3 -0.569 26.2-110.8 -88.2 151.3 33.0 31.1 37.6 73 73 A A H 3> S+ 0 0 79 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.886 120.6 50.0 -41.2 -51.8 36.3 32.8 38.3 74 74 A E H 3> S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.806 112.2 47.3 -61.0 -31.9 37.4 29.7 40.2 75 75 A E H <> S+ 0 0 64 -3,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.891 110.2 52.5 -77.6 -39.6 36.5 27.5 37.3 76 76 A N H X S+ 0 0 59 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.934 111.7 45.4 -61.0 -46.5 38.2 29.7 34.7 77 77 A Y H X S+ 0 0 161 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.935 110.2 54.7 -62.3 -44.9 41.4 29.7 36.7 78 78 A R H X S+ 0 0 138 -4,-1.6 4,-0.8 -5,-0.2 -1,-0.2 0.861 112.8 44.1 -56.4 -36.9 41.2 26.0 37.1 79 79 A H H >X S+ 0 0 76 -4,-2.0 4,-2.6 2,-0.2 3,-0.6 0.923 108.1 54.0 -76.0 -46.9 40.9 25.6 33.4 80 80 A S H 3X S+ 0 0 70 -4,-2.8 4,-3.3 1,-0.3 5,-0.2 0.913 106.9 55.7 -53.3 -42.3 43.6 28.1 32.3 81 81 A L H 3X S+ 0 0 71 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.3 0.842 107.3 48.7 -60.0 -34.9 45.9 26.1 34.6 82 82 A S H X S+ 0 0 60 -4,-2.6 4,-1.9 1,-0.2 3,-0.8 0.913 112.9 51.6 -60.4 -41.0 45.6 24.4 29.2 84 84 A X H 3X S+ 0 0 62 -4,-3.3 4,-2.7 -5,-0.3 5,-0.2 0.855 102.3 60.8 -64.5 -33.2 48.8 26.0 30.5 85 85 A R H 3X S+ 0 0 134 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.3 0.792 105.4 49.6 -62.3 -28.4 49.9 22.5 31.8 86 86 A L H < S+ 0 0 3 -4,-2.5 3,-0.6 2,-0.2 -2,-0.2 0.947 116.2 45.1 -72.1 -50.6 55.1 20.4 25.3 91 91 A Y H 3< S+ 0 0 64 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.817 120.4 43.5 -62.8 -28.5 57.6 23.2 25.5 92 92 A T H 3< S+ 0 0 46 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.567 80.8 142.5 -94.4 -10.9 59.3 21.3 28.4 93 93 A Y << - 0 0 1 -4,-0.8 4,-0.1 -3,-0.6 -3,-0.1 0.038 51.1-137.6 -37.8 130.7 59.2 17.8 26.8 94 94 A P S S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 113,-0.1 0.747 86.3 58.5 -63.5 -30.4 62.4 15.8 27.6 95 95 A K S S- 0 0 31 1,-0.1 -49,-0.1 112,-0.1 2,-0.1 -0.707 103.8 -87.6-103.0 156.6 62.6 14.5 24.0 96 96 A P - 0 0 13 0, 0.0 -49,-2.2 0, 0.0 2,-0.4 -0.419 46.0-161.1 -63.1 130.2 62.9 16.6 20.9 97 97 A T E -c 47 0A 4 -51,-0.2 21,-1.5 -2,-0.1 2,-0.4 -0.886 8.0-167.9-114.8 146.7 59.5 17.5 19.5 98 98 A V E -cd 48 118A 1 -51,-2.3 -49,-2.8 -2,-0.4 2,-0.5 -0.979 12.1-146.0-138.2 123.2 58.7 18.7 16.0 99 99 A A E -cd 49 119A 0 19,-2.6 21,-2.9 -2,-0.4 2,-0.8 -0.755 5.9-157.2 -89.5 128.0 55.4 20.2 14.8 100 100 A A E -cd 50 120A 0 -51,-3.8 2,-2.0 -2,-0.5 -49,-0.5 -0.837 7.1-158.6-107.1 92.2 54.4 19.3 11.3 101 101 A V E + d 0 121A 1 19,-2.3 21,-3.0 -2,-0.8 24,-0.2 -0.510 23.9 164.3 -74.1 80.7 52.1 22.2 10.3 102 102 A N - 0 0 35 -2,-2.0 22,-0.2 19,-0.2 -1,-0.2 0.908 66.6 -4.1 -64.5 -45.4 50.2 20.4 7.5 103 103 A G S S- 0 0 4 1,-0.2 -48,-0.3 -3,-0.2 19,-0.2 -0.494 107.7 -25.1-130.9-158.2 47.4 23.0 7.5 104 104 A P - 0 0 37 0, 0.0 -48,-2.3 0, 0.0 -47,-2.1 -0.184 44.4-167.8 -57.7 144.6 46.2 26.1 9.3 105 105 A A E +fg 57 127B 0 21,-1.9 23,-1.8 -49,-0.2 2,-0.4 -0.936 14.8 174.1-136.6 107.9 47.1 26.7 12.9 106 106 A V E > - g 0 128B 30 -49,-1.7 3,-1.0 -2,-0.4 -47,-0.3 -0.975 50.7 -37.8-127.0 133.7 45.1 29.5 14.6 107 107 A A T >> S+ 0 0 22 21,-3.2 4,-1.8 -2,-0.4 3,-1.4 -0.360 133.3 20.2 58.4-131.7 45.1 30.7 18.2 108 108 A G H >> S+ 0 0 24 1,-0.3 4,-2.8 2,-0.2 3,-0.5 0.810 131.7 45.6 -28.6 -61.5 45.4 27.7 20.5 109 109 A G H <> S+ 0 0 2 -3,-1.0 4,-2.9 1,-0.2 -1,-0.3 0.870 107.4 58.9 -56.3 -39.1 46.9 25.5 17.8 110 110 A A H <> S+ 0 0 0 -3,-1.4 4,-2.0 18,-0.3 -1,-0.2 0.885 110.7 42.3 -58.4 -40.1 49.2 28.2 16.7 111 111 A G H < S+ 0 0 3 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.924 111.0 51.3 -68.4 -43.0 52.7 24.5 17.2 114 114 A L H 3< S+ 0 0 13 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.797 98.5 67.3 -64.6 -28.8 55.1 27.2 18.6 115 115 A A T 3< S+ 0 0 1 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.586 83.6 96.6 -69.5 -8.8 55.6 25.2 21.8 116 116 A C S < S- 0 0 8 -3,-1.6 -18,-0.1 -4,-0.2 -25,-0.1 -0.486 84.6-119.4 -81.9 155.1 57.4 22.5 19.8 117 117 A D S S+ 0 0 64 -20,-0.3 2,-0.3 -27,-0.2 -19,-0.2 0.931 95.4 7.2 -54.6 -51.9 61.2 22.4 19.5 118 118 A L E S-d 98 0A 39 -21,-1.5 -19,-2.6 2,-0.0 2,-0.4 -0.912 70.9-146.8-132.4 158.4 61.2 22.8 15.8 119 119 A V E -d 99 0A 6 -2,-0.3 58,-1.9 -21,-0.2 57,-1.6 -0.990 8.8-170.9-134.9 130.9 58.5 23.5 13.2 120 120 A V E -de 100 177A 0 -21,-2.9 -19,-2.3 -2,-0.4 2,-0.4 -0.982 20.2-162.2-118.4 118.8 58.0 22.4 9.6 121 121 A X E -de 101 178A 0 56,-2.3 58,-1.9 -2,-0.5 -19,-0.2 -0.831 23.1-109.7-109.7 142.3 55.2 24.2 7.9 122 122 A D E > - 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0 0 12 1,-0.1 4,-2.5 4,-0.1 5,-0.2 -0.250 33.8-147.1 -54.8 118.8 73.2 11.9 21.6 200 200 A P H > S+ 0 0 25 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.841 101.2 47.6 -54.0 -38.6 70.1 11.4 23.8 201 201 A T H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.977 111.3 48.2 -68.1 -56.7 71.9 12.9 26.8 202 202 A S H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.825 111.8 52.3 -53.7 -35.2 73.3 15.9 24.9 203 203 A L H X S+ 0 0 32 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.971 108.8 46.0 -67.2 -56.8 69.9 16.7 23.5 204 204 A R H X S+ 0 0 129 -4,-1.8 4,-3.1 1,-0.2 3,-0.3 0.959 116.2 45.8 -49.4 -59.5 67.9 16.7 26.7 205 205 A L H X S+ 0 0 36 -4,-2.1 4,-3.4 1,-0.3 -1,-0.2 0.877 108.3 55.2 -54.0 -44.9 70.5 18.8 28.5 206 206 A T H X S+ 0 0 77 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.3 0.909 113.0 45.0 -55.6 -40.7 70.8 21.3 25.6 207 207 A K H X S+ 0 0 27 -4,-2.3 4,-1.2 -3,-0.3 -2,-0.3 0.941 109.8 53.5 -68.2 -47.0 67.0 21.6 25.9 208 208 A E H >X S+ 0 0 123 -4,-3.1 4,-1.6 1,-0.2 3,-0.8 0.934 111.3 47.8 -52.3 -49.1 67.2 21.9 29.7 209 209 A L H 3X S+ 0 0 41 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.926 106.1 54.9 -58.6 -50.2 69.8 24.8 29.2 210 210 A L H 3< S+ 0 0 114 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.686 107.0 55.4 -60.9 -16.4 67.8 26.7 26.6 211 211 A L H << S+ 0 0 44 -4,-1.2 4,-0.3 -3,-0.8 -1,-0.2 0.975 114.7 32.9 -76.8 -59.8 64.9 26.7 29.1 212 212 A A H >< S+ 0 0 39 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.806 102.4 72.5 -67.6 -40.8 66.6 28.3 32.0 213 213 A L G >< S+ 0 0 59 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.901 87.3 60.0 -48.3 -57.4 69.1 30.7 30.5 214 214 A P G 3 S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.794 101.8 60.8 -42.4 -32.0 66.8 33.4 29.2 215 215 A G G < S+ 0 0 61 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.1 -0.152 102.8 55.1 -93.0 40.4 65.7 33.8 32.8 216 216 A X S < S- 0 0 75 -3,-1.3 0, 0.0 -2,-0.3 0, 0.0 -0.995 81.4 -85.7-166.7 160.7 69.1 34.8 34.2 217 217 A G > - 0 0 40 -2,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.254 45.1-107.6 -67.8 155.6 72.2 37.0 34.3 218 218 A L H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 117.9 45.7 -45.3 -60.1 75.2 36.4 32.1 219 219 A E H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 112.8 48.5 -55.8 -48.3 77.4 35.2 35.0 220 220 A D H > S+ 0 0 86 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.950 110.4 53.3 -59.9 -43.5 74.8 32.9 36.5 221 221 A G H X S+ 0 0 9 -4,-3.1 4,-3.2 1,-0.3 -1,-0.2 0.922 109.7 47.8 -55.3 -42.9 74.2 31.4 33.1 222 222 A F H X S+ 0 0 135 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.3 0.847 108.1 55.3 -66.6 -31.1 77.9 30.8 32.8 223 223 A R H X S+ 0 0 162 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.929 112.0 44.2 -66.2 -41.4 77.8 29.2 36.2 224 224 A L H X S+ 0 0 58 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.968 114.4 47.7 -65.3 -54.7 75.1 26.9 34.9 225 225 A A H X S+ 0 0 32 -4,-3.2 4,-3.8 1,-0.2 5,-0.3 0.932 109.7 52.6 -51.2 -55.3 76.8 26.1 31.6 226 226 A A H X S+ 0 0 61 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.927 109.8 49.1 -47.4 -53.5 80.2 25.4 33.2 227 227 A L H X S+ 0 0 120 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.3 0.882 115.4 43.8 -55.6 -42.3 78.6 22.9 35.6 228 228 A A H X S+ 0 0 13 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.965 108.1 55.8 -68.3 -52.4 76.8 21.2 32.7 229 229 A N H < S+ 0 0 98 -4,-3.8 4,-0.4 1,-0.2 -1,-0.2 0.848 113.8 46.8 -46.8 -34.5 79.8 21.2 30.4 230 230 A A H >< S+ 0 0 46 -4,-2.0 3,-2.1 -5,-0.3 -2,-0.2 0.989 110.6 46.4 -72.2 -65.3 81.3 19.4 33.4 231 231 A W H >< S+ 0 0 142 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.888 105.2 61.5 -43.6 -52.4 78.6 16.8 34.2 232 232 A V G >< S+ 0 0 28 -4,-2.7 3,-1.4 1,-0.3 -1,-0.3 0.748 90.0 72.9 -49.3 -27.1 78.2 15.9 30.5 233 233 A R G < S+ 0 0 176 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.329 95.9 48.8 -76.0 10.7 81.9 14.7 30.5 234 234 A E G < S+ 0 0 174 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.3 0.119 86.5 115.3-133.6 20.6 81.0 11.6 32.6 235 235 A T X> - 0 0 16 -3,-1.4 4,-1.9 1,-0.1 3,-0.5 -0.676 69.1-127.2 -96.0 146.9 78.1 10.3 30.6 236 236 A G H 3> S+ 0 0 50 -2,-0.3 4,-4.1 1,-0.2 5,-0.2 0.921 107.3 59.3 -55.4 -48.7 78.0 7.1 28.7 237 237 A D H 3> S+ 0 0 29 1,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.853 106.2 48.9 -51.2 -38.1 76.9 8.7 25.4 238 238 A L H <> S+ 0 0 62 -3,-0.5 4,-2.8 -6,-0.2 5,-0.3 0.933 113.4 46.8 -67.5 -43.0 80.0 10.8 25.5 239 239 A A H X S+ 0 0 39 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.966 115.2 46.9 -59.5 -52.9 82.0 7.6 26.2 240 240 A E H X S+ 0 0 23 -4,-4.1 4,-2.5 1,-0.2 5,-0.2 0.934 114.6 46.7 -53.8 -52.8 80.1 5.8 23.4 241 241 A G H X S+ 0 0 18 -4,-3.3 4,-1.7 -5,-0.2 -2,-0.2 0.947 110.5 49.4 -57.3 -55.1 80.5 8.7 20.9 242 242 A I H X S+ 0 0 84 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.835 113.4 49.7 -55.9 -33.9 84.2 9.3 21.5 243 243 A R H >X S+ 0 0 134 -4,-2.0 3,-1.1 -5,-0.3 4,-0.7 0.998 107.6 51.0 -65.5 -64.6 84.8 5.6 21.0 244 244 A A H 3<>S+ 0 0 1 -4,-2.5 5,-2.9 1,-0.3 3,-0.3 0.740 110.1 53.6 -43.4 -28.4 82.8 5.3 17.8 245 245 A F H ><5S+ 0 0 154 -4,-1.7 3,-1.3 -5,-0.2 -1,-0.3 0.909 108.9 45.6 -76.2 -42.4 84.9 8.2 16.6 246 246 A F H <<5S+ 0 0 157 -4,-1.7 -2,-0.2 -3,-1.1 -1,-0.2 0.353 115.7 49.5 -81.1 6.5 88.2 6.4 17.4 247 247 A E T 3<5S- 0 0 109 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.065 105.7-127.7-127.5 17.1 86.7 3.3 15.7 248 248 A K T < 5S+ 0 0 206 -3,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.827 71.0 122.4 33.8 48.5 85.6 5.2 12.6 249 249 A R S