==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-FEB-11 3QMV . COMPND 2 MOLECULE: THIOESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR J.R.WHICHER,J.L.SMITH . 1032 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 647 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 127 12.3 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 . 4 0.4 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 . 40 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 7 9 0 0 0 0 0 5 4 1 5 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 9 7 2 2 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 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 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 9 A Q > 0 0 143 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -10.3 102.9 35.0 9.2 2 10 A R H > + 0 0 65 1,-0.2 4,-2.0 2,-0.2 602,-0.0 0.811 360.0 54.4 -68.6 -30.8 99.2 34.0 9.4 3 11 A S H 4 S+ 0 0 89 2,-0.2 -1,-0.2 1,-0.1 577,-0.2 0.763 107.9 50.4 -72.9 -29.5 98.5 36.1 6.3 4 12 A A H 4 S+ 0 0 23 -3,-0.2 -2,-0.2 2,-0.1 570,-0.2 0.976 124.1 24.5 -68.7 -59.7 101.2 34.3 4.4 5 13 A W H < S+ 0 0 9 -4,-2.0 569,-3.1 1,-0.2 -2,-0.2 0.876 133.7 30.2 -75.9 -40.1 100.1 30.7 5.1 6 14 A F S < S- 0 0 8 -4,-2.0 -1,-0.2 -5,-0.3 567,-0.1 -0.556 71.9-179.2-129.6 64.0 96.4 31.1 5.9 7 15 A P - 0 0 29 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.434 35.5-110.4 -66.6 136.9 94.9 34.0 4.0 8 16 A R - 0 0 146 -2,-0.1 563,-0.1 1,-0.1 2,-0.0 -0.418 37.7-109.3 -64.5 135.0 91.2 34.7 4.6 9 17 A P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.403 32.3-118.8 -62.4 144.9 89.1 33.8 1.6 10 18 A V - 0 0 94 1,-0.1 549,-0.5 -3,-0.1 2,-0.0 -0.532 39.4 -89.5 -76.9 152.3 87.6 36.8 -0.2 11 19 A A - 0 0 70 -2,-0.2 -1,-0.1 547,-0.1 547,-0.1 -0.336 45.1-120.9 -61.1 141.0 83.8 37.0 -0.3 12 20 A A - 0 0 28 1,-0.1 2,-1.2 -3,-0.1 -1,-0.1 -0.448 25.6-103.9 -77.9 158.1 82.3 35.3 -3.4 13 21 A P - 0 0 94 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.773 41.9-123.1 -79.4 101.5 80.2 37.2 -5.9 14 22 A A - 0 0 99 -2,-1.2 31,-0.0 1,-0.1 514,-0.0 -0.290 39.7-116.9 -44.0 111.3 76.8 35.9 -4.9 15 23 A A - 0 0 63 1,-0.1 -1,-0.1 -2,-0.1 33,-0.1 -0.092 18.6-100.5 -66.0 151.7 75.6 34.5 -8.2 16 24 A E - 0 0 172 1,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.503 52.1-102.0 -62.1 131.1 72.7 35.5 -10.4 17 25 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.261 38.2-107.8 -58.9 142.5 69.8 33.1 -9.7 18 26 A P - 0 0 24 0, 0.0 35,-0.1 0, 0.0 32,-0.1 -0.426 34.0-104.2 -70.3 148.7 69.2 30.4 -12.4 19 27 A D >> - 0 0 98 1,-0.2 4,-1.9 -2,-0.1 3,-0.8 -0.609 21.3-146.4 -71.6 118.9 66.2 30.7 -14.7 20 28 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 32,-0.1 0.826 99.3 59.7 -57.7 -29.7 63.6 28.2 -13.5 21 29 A A T 34 S+ 0 0 72 1,-0.2 5,-0.1 -3,-0.0 -2,-0.0 0.873 118.7 26.3 -60.5 -40.1 62.5 27.8 -17.1 22 30 A A T <4 S+ 0 0 79 -3,-0.8 -1,-0.2 3,-0.1 -3,-0.0 0.478 89.0 118.2-106.7 -7.6 66.0 26.7 -18.2 23 31 A A < - 0 0 10 -4,-1.9 27,-0.1 1,-0.1 3,-0.1 -0.334 68.1-128.4 -64.9 142.2 67.5 25.1 -15.0 24 32 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 27,-0.1 0.801 95.2 24.1 -62.8 -26.2 68.4 21.4 -15.4 25 33 A L E -a 51 0A 19 25,-0.6 27,-2.7 220,-0.0 2,-0.5 -0.997 66.2-157.5-138.7 136.1 66.4 20.7 -12.2 26 34 A R E -ab 52 93A 5 66,-2.0 68,-2.8 -2,-0.3 2,-0.8 -0.962 11.0-154.6-110.6 119.9 63.5 22.6 -10.5 27 35 A L E -ab 53 94A 0 25,-2.9 27,-2.9 -2,-0.5 2,-0.5 -0.854 8.9-154.6 -97.4 107.1 63.1 21.9 -6.8 28 36 A V E -ab 54 95A 0 66,-3.1 68,-3.0 -2,-0.8 2,-0.5 -0.717 14.4-157.3 -88.7 124.0 59.5 22.6 -5.8 29 37 A C E -ab 55 96A 0 25,-2.6 27,-2.2 -2,-0.5 68,-0.2 -0.901 12.5-167.7-119.9 127.1 59.3 23.4 -2.1 30 38 A F E - b 0 97A 0 66,-2.4 68,-1.3 -2,-0.5 71,-0.1 -0.900 17.9-135.3-112.3 131.4 56.3 23.2 0.3 31 39 A P - 0 0 1 0, 0.0 70,-0.3 0, 0.0 3,-0.1 -0.188 24.6 -95.1 -77.8 173.3 56.3 24.7 3.8 32 40 A Y > - 0 0 32 68,-0.2 3,-2.3 4,-0.2 67,-0.1 -0.283 66.2 -59.8 -77.8 171.6 55.1 23.4 7.2 33 41 A A T 3 S+ 0 0 16 1,-0.3 -1,-0.2 137,-0.1 134,-0.1 -0.312 127.9 7.3 -61.5 130.3 51.6 24.1 8.5 34 42 A G T 3 S+ 0 0 8 132,-0.3 -1,-0.3 1,-0.3 133,-0.2 0.525 108.8 122.8 73.8 8.6 51.0 27.8 8.9 35 43 A G < - 0 0 0 -3,-2.3 -1,-0.3 131,-0.1 2,-0.2 -0.400 45.9-152.5 -98.0 173.2 54.3 28.5 7.2 36 44 A T > - 0 0 15 -2,-0.1 3,-1.9 -3,-0.1 -4,-0.2 -0.769 41.9 -80.7-135.5-178.8 55.2 30.4 4.1 37 45 A V G > S+ 0 0 31 1,-0.3 3,-1.8 -2,-0.2 20,-0.1 0.641 112.0 84.0 -60.4 -13.6 57.8 30.6 1.3 38 46 A S G > S+ 0 0 51 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.745 72.6 76.5 -62.5 -22.1 60.1 32.4 3.8 39 47 A A G < S+ 0 0 8 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.797 95.0 48.8 -53.9 -31.0 61.1 29.0 5.1 40 48 A F G X S+ 0 0 2 -3,-1.8 3,-1.9 -4,-0.2 4,-0.4 0.146 76.0 138.7-103.7 16.7 63.2 28.6 1.9 41 49 A R T < S+ 0 0 123 -3,-1.7 487,-0.2 1,-0.3 488,-0.1 -0.396 76.1 16.5 -61.5 132.8 65.1 31.9 2.0 42 50 A G T 3> S+ 0 0 0 485,-2.7 4,-1.8 -2,-0.1 -1,-0.3 0.291 92.1 112.6 87.4 -11.0 68.8 31.4 1.1 43 51 A W H <> S+ 0 0 0 -3,-1.9 4,-2.0 484,-0.2 5,-0.2 0.896 71.1 57.0 -62.0 -40.5 68.1 28.0 -0.3 44 52 A Q H > S+ 0 0 14 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.904 109.3 41.9 -59.9 -48.6 69.0 29.1 -3.9 45 53 A E H 4 S+ 0 0 74 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.908 115.3 52.1 -66.7 -38.5 72.5 30.4 -3.2 46 54 A R H < S+ 0 0 39 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.831 112.8 43.9 -66.7 -32.0 73.3 27.5 -1.0 47 55 A L H < S- 0 0 15 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.652 104.8-141.9 -91.0 -17.8 72.2 24.9 -3.6 48 56 A G >< - 0 0 2 -4,-1.4 3,-0.9 -5,-0.2 -1,-0.2 -0.214 33.4 -50.7 89.1-172.9 73.9 26.6 -6.6 49 57 A D T 3 S+ 0 0 75 1,-0.2 -1,-0.2 -4,-0.1 -4,-0.1 0.488 115.6 73.6 -88.2 -5.9 73.2 27.2 -10.2 50 58 A E T 3 S+ 0 0 72 -3,-0.3 -25,-0.6 -27,-0.1 2,-0.4 0.492 98.9 47.7 -85.4 -4.9 72.2 23.6 -11.3 51 59 A V E < S-a 25 0A 2 -3,-0.9 2,-0.6 -7,-0.2 -25,-0.2 -0.999 70.6-145.1-137.2 131.1 68.9 23.7 -9.5 52 60 A A E -a 26 0A 1 -27,-2.7 -25,-2.9 -2,-0.4 2,-0.5 -0.888 21.2-140.2 -91.2 121.9 66.1 26.4 -9.5 53 61 A V E -a 27 0A 3 -2,-0.6 -25,-0.2 -27,-0.2 -9,-0.1 -0.758 19.6-172.5 -82.5 126.4 64.5 26.6 -6.1 54 62 A V E -a 28 0A 5 -27,-2.9 -25,-2.6 -2,-0.5 471,-0.1 -0.830 3.3-166.1-125.6 85.5 60.7 27.1 -6.5 55 63 A P E -a 29 0A 5 0, 0.0 2,-0.5 0, 0.0 -25,-0.2 -0.426 17.1-133.8 -68.5 150.5 59.0 27.7 -3.2 56 64 A V - 0 0 0 -27,-2.2 2,-0.6 467,-0.2 467,-0.2 -0.952 7.2-151.0-111.5 123.8 55.2 27.4 -3.4 57 65 A Q - 0 0 25 465,-2.8 -21,-0.1 -2,-0.5 3,-0.1 -0.883 18.6-151.2 -91.2 117.1 52.9 30.0 -1.9 58 66 A L > - 0 0 1 -2,-0.6 3,-0.9 1,-0.1 6,-0.2 -0.525 28.2 -87.4 -87.0 152.0 49.6 28.4 -0.8 59 67 A P T 3 S+ 0 0 4 0, 0.0 11,-0.2 0, 0.0 6,-0.1 -0.229 107.2 43.5 -53.3 144.6 46.2 30.2 -0.6 60 68 A G T 3 S+ 0 0 6 4,-2.0 2,-0.3 1,-0.2 5,-0.2 0.305 100.3 72.1 104.1 -6.3 45.4 32.0 2.6 61 69 A R S X S+ 0 0 7 -3,-0.9 3,-2.4 105,-0.1 -1,-0.2 -0.908 88.1 0.9-140.8 165.1 48.8 33.7 3.3 62 70 A G G > S- 0 0 44 -2,-0.3 3,-1.1 1,-0.3 -2,-0.0 -0.328 134.5 -13.4 55.4-135.0 51.0 36.5 2.1 63 71 A L G 3 S+ 0 0 172 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.584 135.6 67.6 -72.7 -8.5 49.3 38.3 -0.8 64 72 A R G X + 0 0 12 -3,-2.4 -4,-2.0 -6,-0.2 3,-1.6 0.120 63.8 119.0 -95.2 20.0 46.8 35.4 -1.0 65 73 A L T < + 0 0 59 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.639 67.2 58.4 -63.3 -17.1 45.3 36.3 2.4 66 74 A R T 3 S+ 0 0 213 -3,-0.4 2,-0.3 -5,-0.1 -1,-0.3 0.620 88.1 89.8 -88.8 -13.9 41.9 36.9 0.9 67 75 A E S < S- 0 0 42 -3,-1.6 -3,-0.0 -6,-0.1 3,-0.0 -0.650 87.8-111.6 -81.0 138.8 41.6 33.3 -0.5 68 76 A R - 0 0 205 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.533 36.8-119.7 -64.7 127.4 40.0 30.7 1.8 69 77 A P - 0 0 20 0, 0.0 -9,-0.1 0, 0.0 2,-0.1 -0.475 26.5-111.3 -67.5 138.7 42.8 28.2 2.7 70 78 A Y - 0 0 84 -11,-0.2 103,-0.2 -2,-0.1 102,-0.1 -0.443 26.9-170.2 -60.7 141.6 42.2 24.6 1.7 71 79 A D + 0 0 44 101,-0.1 2,-0.4 -2,-0.1 105,-0.2 0.233 66.5 68.2-120.0 15.2 41.5 22.4 4.6 72 80 A T S > S- 0 0 63 1,-0.1 4,-1.5 105,-0.0 101,-0.2 -0.999 73.6-139.7-134.3 139.6 41.7 19.1 2.8 73 81 A X H > S+ 0 0 3 100,-0.5 4,-2.9 -2,-0.4 5,-0.2 0.871 92.3 55.8 -73.7 -39.0 44.8 17.7 1.2 74 82 A E H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.955 110.1 42.9 -63.4 -52.3 43.5 16.2 -2.1 75 83 A P H > S+ 0 0 48 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.891 114.9 52.3 -63.7 -34.2 41.9 19.4 -3.5 76 84 A L H X S+ 0 0 3 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.948 110.5 47.3 -60.0 -47.8 45.0 21.4 -2.4 77 85 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.863 111.9 51.4 -61.5 -36.3 47.3 19.0 -4.2 78 86 A E H X S+ 0 0 70 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.882 109.0 48.7 -69.2 -40.2 45.1 19.2 -7.3 79 87 A A H X S+ 0 0 13 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.894 113.6 48.2 -65.3 -39.6 45.2 23.0 -7.3 80 88 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.944 111.2 50.3 -62.2 -46.1 49.0 22.9 -6.9 81 89 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.899 107.5 53.4 -62.8 -42.4 49.2 20.4 -9.7 82 90 A D H X S+ 0 0 92 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.923 112.0 46.1 -52.9 -47.0 47.1 22.6 -11.9 83 91 A A H X S+ 0 0 7 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.933 110.3 52.4 -65.2 -45.5 49.5 25.5 -11.2 84 92 A L H <>S+ 0 0 0 -4,-3.0 5,-3.0 1,-0.2 6,-0.4 0.925 114.5 42.6 -55.9 -45.4 52.6 23.3 -11.9 85 93 A E H ><5S+ 0 0 107 -4,-2.3 3,-1.9 3,-0.2 -2,-0.2 0.942 110.9 54.6 -67.3 -48.2 51.2 22.1 -15.3 86 94 A E H 3<5S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.848 114.6 41.9 -52.6 -36.5 50.0 25.6 -16.3 87 95 A H T 3<5S- 0 0 34 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.130 114.9-112.9-106.4 19.3 53.6 27.0 -15.6 88 96 A R T < 5S+ 0 0 190 -3,-1.9 -3,-0.2 1,-0.1 3,-0.2 0.867 75.7 130.4 58.9 44.4 55.5 24.1 -17.2 89 97 A L < + 0 0 3 -5,-3.0 -4,-0.2 -6,-0.1 -1,-0.1 0.221 40.2 96.7-106.9 10.6 57.0 22.8 -14.0 90 98 A T S S+ 0 0 8 -6,-0.4 2,-0.3 -5,-0.2 -1,-0.1 -0.015 75.9 58.2 -98.1 25.4 56.0 19.2 -14.6 91 99 A H S S+ 0 0 77 -3,-0.2 -65,-0.1 1,-0.1 3,-0.1 -0.972 104.6 16.8-143.6 157.6 59.3 18.0 -16.0 92 100 A D S S+ 0 0 83 -2,-0.3 -66,-2.0 1,-0.2 2,-0.3 0.932 97.6 137.1 44.9 55.2 62.8 17.9 -14.7 93 101 A Y E -b 26 0A 2 26,-0.4 28,-3.5 -68,-0.2 29,-0.5 -0.945 40.1-167.7-132.4 152.5 61.4 18.5 -11.2 94 102 A A E -b 27 0A 0 -68,-2.8 -66,-3.1 -2,-0.3 2,-0.4 -0.894 18.4-134.2-128.2 164.4 61.9 17.4 -7.7 95 103 A L E -bc 28 123A 0 27,-2.2 29,-2.9 -2,-0.3 2,-0.4 -0.959 17.2-177.1-124.7 138.9 59.7 17.9 -4.6 96 104 A F E +bc 29 124A 0 -68,-3.0 -66,-2.4 -2,-0.4 2,-0.3 -0.990 8.5 166.3-128.9 141.7 60.6 19.0 -1.1 97 105 A G E -bc 30 125A 0 27,-1.6 29,-2.2 -2,-0.4 2,-0.5 -0.981 22.1-147.1-151.6 152.2 58.3 19.3 1.9 98 106 A H E > - c 0 126A 0 -68,-1.3 3,-2.1 -2,-0.3 29,-0.2 -0.967 66.0 -42.7-119.7 126.5 58.6 19.7 5.6 99 107 A S T >> S+ 0 0 19 27,-3.1 3,-2.0 -2,-0.5 4,-1.3 -0.331 140.6 11.1 58.6-124.7 56.1 18.4 8.0 100 108 A X H 3> S+ 0 0 3 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.888 131.0 59.8 -43.5 -41.4 52.6 19.1 6.5 101 109 A G H <> S+ 0 0 0 -3,-2.1 4,-2.1 -70,-0.3 -1,-0.3 0.717 97.7 57.1 -63.6 -25.6 54.5 20.1 3.4 102 110 A A H <> S+ 0 0 0 -3,-2.0 4,-2.3 24,-0.2 -1,-0.2 0.915 107.6 47.4 -70.4 -43.6 55.9 16.6 3.1 103 111 A L H X S+ 0 0 0 -4,-1.3 4,-2.9 1,-0.2 -2,-0.2 0.957 112.9 49.3 -60.4 -48.0 52.4 15.1 3.0 104 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.898 109.2 52.3 -57.8 -44.0 51.4 17.7 0.4 105 113 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.909 110.2 48.0 -59.7 -45.0 54.5 16.8 -1.7 106 114 A Y H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.935 113.0 48.4 -58.8 -47.4 53.6 13.1 -1.6 107 115 A E H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.874 110.5 51.9 -62.9 -36.4 49.9 14.0 -2.5 108 116 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.903 108.0 50.5 -67.0 -44.3 51.2 16.2 -5.4 109 117 A A H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.896 112.2 48.9 -57.7 -38.5 53.4 13.4 -6.7 110 118 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.922 111.2 48.0 -71.0 -40.5 50.3 11.1 -6.6 111 119 A V H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.911 111.6 50.6 -61.5 -45.2 48.0 13.6 -8.4 112 120 A L H <>S+ 0 0 4 -4,-2.6 5,-2.6 2,-0.2 -2,-0.2 0.864 109.4 51.4 -62.4 -38.7 50.7 14.1 -11.0 113 121 A R H ><5S+ 0 0 85 -4,-2.0 3,-2.3 3,-0.2 -2,-0.2 0.970 109.2 49.4 -59.9 -52.1 51.0 10.3 -11.5 114 122 A R H 3<5S+ 0 0 124 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.819 109.2 54.8 -55.9 -31.8 47.2 9.9 -12.0 115 123 A R T 3<5S- 0 0 110 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.386 117.0-115.1 -83.3 1.2 47.4 12.8 -14.5 116 124 A G T < 5 + 0 0 69 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.647 64.0 149.2 76.3 17.4 50.0 10.9 -16.5 117 125 A A < - 0 0 21 -5,-2.6 -1,-0.2 -6,-0.2 -26,-0.1 -0.373 57.4 -84.9 -79.4 160.0 52.8 13.5 -15.9 118 126 A P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.343 53.3-108.2 -58.2 144.6 56.5 12.7 -15.7 119 127 A R - 0 0 97 1,-0.1 -26,-0.4 -3,-0.1 -27,-0.2 -0.275 37.5 -90.2 -71.5 160.2 57.5 11.5 -12.3 120 128 A P - 0 0 4 0, 0.0 -26,-0.2 0, 0.0 3,-0.1 -0.422 23.9-133.8 -63.5 148.1 59.6 13.6 -9.9 121 129 A R S S- 0 0 101 -28,-3.5 2,-0.3 1,-0.3 -27,-0.2 0.771 89.0 -5.0 -68.9 -27.1 63.4 13.1 -10.1 122 130 A H - 0 0 10 -29,-0.5 -27,-2.2 65,-0.1 2,-0.5 -0.969 59.8-142.5-165.0 147.8 63.4 12.9 -6.3 123 131 A L E -cd 95 189A 2 65,-2.2 67,-2.6 -2,-0.3 2,-0.5 -0.993 17.1-168.1-116.6 122.2 61.1 13.2 -3.3 124 132 A F E -cd 96 190A 0 -29,-2.9 -27,-1.6 -2,-0.5 2,-0.4 -0.964 4.5-174.8-110.7 124.7 62.5 14.8 -0.2 125 133 A V E -cd 97 191A 2 65,-2.5 67,-2.3 -2,-0.5 2,-0.4 -0.975 4.7-174.6-123.0 128.5 60.4 14.5 3.0 126 134 A S E -cd 98 192A 0 -29,-2.2 -27,-3.1 -2,-0.4 -24,-0.2 -0.971 60.5 -6.6-132.3 130.1 61.5 16.3 6.1 127 135 A G S S+ 0 0 0 65,-1.8 2,-0.4 -2,-0.4 -1,-0.2 0.847 99.4 121.2 59.1 38.9 60.2 16.3 9.7 128 136 A S - 0 0 2 64,-0.5 -1,-0.2 -3,-0.1 64,-0.1 -0.994 60.2-132.8-139.5 131.9 57.1 14.2 8.7 129 137 A R - 0 0 11 -2,-0.4 76,-0.2 1,-0.1 75,-0.1 -0.309 52.4 -83.6 -62.3 159.4 55.6 10.8 9.7 130 138 A A > - 0 0 0 74,-1.4 3,-2.1 1,-0.1 4,-0.2 -0.361 46.1-101.8 -68.5 153.8 54.6 8.7 6.8 131 139 A P G > S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 48,-0.1 0.808 119.3 54.8 -46.1 -45.8 51.1 9.4 5.2 132 140 A H G 3 S+ 0 0 76 1,-0.3 47,-0.1 75,-0.1 -2,-0.0 0.577 100.7 61.2 -71.2 -10.8 49.3 6.4 6.9 133 141 A L G < S+ 0 0 53 -3,-2.1 3,-0.4 71,-0.1 -1,-0.3 0.381 86.9 94.9 -93.2 -1.3 50.5 7.6 10.3 134 142 A Y < + 0 0 33 -3,-1.5 45,-0.2 -4,-0.2 41,-0.1 -0.485 56.1 61.5 -81.9 161.1 48.6 10.9 10.0 135 143 A G S S+ 0 0 42 -2,-0.1 -1,-0.2 39,-0.1 40,-0.1 0.502 73.2 93.9 105.1 8.5 45.1 11.5 11.4 136 144 A D + 0 0 112 -3,-0.4 2,-0.2 0, 0.0 -2,-0.1 0.578 69.1 81.8 -99.6 -18.0 45.6 10.9 15.1 137 145 A R - 0 0 82 34,-0.1 3,-0.1 1,-0.1 -2,-0.0 -0.563 49.1-172.9 -93.1 153.8 46.2 14.6 16.2 138 146 A A > + 0 0 51 -2,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.084 39.5 131.0-134.0 37.0 43.6 17.3 16.8 139 147 A D G > + 0 0 24 1,-0.3 3,-1.2 2,-0.2 33,-0.1 0.782 68.9 67.0 -58.3 -28.3 45.7 20.4 17.3 140 148 A H G 3 S+ 0 0 31 1,-0.2 -1,-0.3 31,-0.1 32,-0.1 0.604 97.6 53.6 -68.9 -12.1 43.5 22.2 14.8 141 149 A T G < S+ 0 0 93 -3,-1.9 -1,-0.2 2,-0.0 -2,-0.2 0.416 88.4 108.3 -99.3 -1.4 40.6 22.0 17.3 142 150 A L S < S- 0 0 56 -3,-1.2 -3,-0.0 -4,-0.3 0, 0.0 -0.287 78.7 -91.1 -75.7 159.7 42.5 23.6 20.2 143 151 A S > - 0 0 71 1,-0.1 4,-2.8 4,-0.0 5,-0.3 -0.236 41.6-104.8 -58.0 157.0 41.9 27.0 21.7 144 152 A D H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.879 123.2 45.5 -49.5 -44.6 44.0 29.9 20.2 145 153 A T H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 112.1 47.7 -71.0 -47.5 46.1 29.8 23.3 146 154 A A H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.904 113.3 49.4 -62.1 -39.7 46.6 26.1 23.6 147 155 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.926 110.1 50.7 -65.3 -44.5 47.5 25.9 19.8 148 156 A R H X S+ 0 0 5 -4,-1.9 4,-3.0 -5,-0.3 -1,-0.2 0.907 110.8 49.1 -57.3 -44.4 50.0 28.7 20.2 149 157 A E H X S+ 0 0 20 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.830 106.9 55.2 -70.3 -32.9 51.7 27.0 23.2 150 158 A V H X S+ 0 0 36 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.944 112.9 43.0 -58.6 -46.7 51.9 23.7 21.2 151 159 A I H X>S+ 0 0 23 -4,-2.2 5,-2.5 2,-0.2 4,-0.9 0.943 114.5 49.7 -65.9 -48.1 53.8 25.6 18.4 152 160 A R H ><5S+ 0 0 46 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.913 111.6 49.9 -53.9 -45.0 55.9 27.5 21.0 153 161 A D H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.806 108.0 52.3 -67.3 -30.5 56.7 24.2 22.7 154 162 A L H 3<5S- 0 0 31 -4,-1.7 72,-0.5 -3,-0.2 71,-0.4 0.624 124.2-104.0 -78.9 -13.2 57.7 22.5 19.4 155 163 A G T <<5S+ 0 0 15 -4,-0.9 -3,-0.2 -3,-0.8 3,-0.2 0.733 83.4 126.0 98.1 30.6 60.1 25.4 18.7 156 164 A G < + 0 0 22 -5,-2.5 2,-0.5 1,-0.2 -4,-0.2 0.635 64.2 51.5 -92.5 -17.5 58.1 27.3 16.1 157 165 A L 0 0 67 -6,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.815 360.0 360.0-131.0 92.4 58.0 30.8 17.7 158 166 A D 0 0 188 -2,-0.5 -6,-0.0 -3,-0.2 -2,-0.0 -0.737 360.0 360.0-161.8 360.0 61.2 32.4 18.8 159 ! 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 0.0 160 176 A F 0 0 76 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -56.5 50.5 34.7 14.5 161 177 A D > + 0 0 86 1,-0.3 3,-0.5 2,-0.2 740,-0.0 0.804 360.0 49.4 -63.7 -33.1 46.9 35.7 15.5 162 178 A R T 3 S+ 0 0 203 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.830 115.0 46.6 -65.7 -34.0 46.2 37.0 11.9 163 179 A R T 3> S+ 0 0 104 -3,-0.5 4,-2.4 1,-0.2 3,-0.3 0.309 83.7 98.3 -94.2 6.2 47.6 33.8 10.6 164 180 A L H <> S+ 0 0 6 -3,-0.5 4,-2.5 -4,-0.4 5,-0.2 0.897 79.2 54.2 -63.2 -44.3 45.7 31.5 13.0 165 181 A P H > S+ 0 0 78 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.824 112.2 45.9 -60.6 -28.9 43.0 30.6 10.5 166 182 A V H > S+ 0 0 10 -3,-0.3 4,-2.5 2,-0.2 -132,-0.3 0.898 110.8 50.9 -78.7 -43.6 45.6 29.5 8.0 167 183 A L H X S+ 0 0 11 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.945 112.1 49.3 -54.9 -50.1 47.6 27.5 10.5 168 184 A R H X S+ 0 0 39 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.847 110.2 49.1 -58.5 -43.0 44.4 25.7 11.5 169 185 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.921 111.3 49.9 -67.4 -42.9 43.4 24.9 7.9 170 186 A D H X S+ 0 0 1 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.902 113.5 46.1 -58.2 -44.2 46.8 23.5 7.2 171 187 A L H X S+ 0 0 24 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.881 108.0 57.1 -69.4 -38.7 46.7 21.4 10.3 172 188 A R H X S+ 0 0 55 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 102.3 55.6 -55.5 -44.0 43.1 20.3 9.4 173 189 A A H < S+ 0 0 1 -4,-2.1 -100,-0.5 -103,-0.2 -1,-0.2 0.866 115.4 38.7 -58.2 -39.2 44.5 19.0 6.0 174 190 A C H >< S+ 0 0 8 -4,-1.2 3,-0.6 -3,-0.2 -2,-0.2 0.906 119.0 44.8 -72.0 -49.7 47.0 16.8 7.9 175 191 A E H 3< S+ 0 0 18 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.676 116.3 44.7 -79.9 -22.4 44.8 15.7 10.8 176 192 A R T 3< S+ 0 0 140 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 0.368 82.0 135.4 -92.8 0.1 41.7 14.9 8.7 177 193 A Y < - 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0 0 34 -4,-1.8 3,-0.4 -5,-0.4 4,-0.3 0.214 24.8 -92.3 72.1 156.1 94.9 33.1 -24.8 682 173 C A S >> S+ 0 0 25 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.612 111.4 81.2 -78.5 -15.5 97.4 30.6 -23.6 683 174 C A H >> S+ 0 0 81 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.905 83.7 65.8 -58.6 -43.6 100.1 33.2 -22.7 684 175 C Y H >4 S+ 0 0 97 -3,-0.4 3,-1.0 -4,-0.4 4,-0.3 0.876 98.7 52.0 -34.5 -54.8 98.2 33.7 -19.4 685 176 C F H X4 S+ 0 0 10 -3,-0.6 3,-2.7 -4,-0.3 4,-0.4 0.843 92.8 70.5 -60.2 -40.0 99.0 30.1 -18.4 686 177 C D H X< S+ 0 0 58 -4,-1.0 3,-1.0 -3,-0.6 -1,-0.2 0.733 85.2 71.2 -57.5 -25.0 102.8 30.3 -18.9 687 178 C R T << S+ 0 0 174 -3,-1.0 -1,-0.3 -4,-0.7 4,-0.3 0.836 99.0 48.8 -50.1 -38.4 102.9 32.6 -15.9 688 179 C R T <> S+ 0 0 77 -3,-2.7 4,-2.9 -4,-0.3 3,-0.4 0.528 82.5 99.7 -84.6 -11.0 102.2 29.6 -13.7 689 180 C L H <> S+ 0 0 6 -3,-1.0 4,-2.9 -4,-0.4 5,-0.2 0.870 80.6 46.7 -51.8 -53.1 104.9 27.3 -15.2 690 181 C P H > S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.878 117.5 43.4 -58.2 -39.1 107.6 27.6 -12.6 691 182 C V H > S+ 0 0 25 -3,-0.4 4,-2.7 -4,-0.3 -140,-0.4 0.903 114.0 51.2 -72.8 -40.3 105.2 27.0 -9.7 692 183 C L H X S+ 0 0 8 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.906 110.5 49.1 -60.3 -44.9 103.5 24.2 -11.5 693 184 C R H X S+ 0 0 54 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.933 112.5 47.2 -62.7 -47.9 106.8 22.5 -12.2 694 185 C A H X S+ 0 0 11 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.940 115.0 45.9 -57.2 -50.4 107.9 22.8 -8.6 695 186 C D H X S+ 0 0 2 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.884 113.2 50.1 -60.1 -44.0 104.5 21.5 -7.3 696 187 C L H >X S+ 0 0 24 -4,-2.7 4,-2.4 1,-0.2 3,-0.7 0.899 104.7 57.3 -64.3 -40.2 104.5 18.7 -9.8 697 188 C R H 3X S+ 0 0 53 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.904 100.2 59.8 -57.9 -41.0 108.1 17.6 -8.8 698 189 C A H 3< S+ 0 0 2 -4,-1.7 -108,-0.5 1,-0.2 -1,-0.2 0.834 115.1 33.4 -56.6 -35.2 106.9 17.2 -5.2 699 190 C C H << S+ 0 0 6 -4,-0.9 3,-0.4 -3,-0.7 -1,-0.2 0.791 118.9 50.4 -86.0 -36.7 104.3 14.5 -6.3 700 191 C E H < S+ 0 0 19 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.790 112.7 43.9 -81.8 -30.6 106.1 12.9 -9.2 701 192 C R S < S+ 0 0 172 -4,-2.5 -1,-0.2 -5,-0.2 2,-0.2 0.282 91.7 117.9 -92.5 7.2 109.4 12.3 -7.3 702 193 C Y - 0 0 5 -3,-0.4 2,-0.4 -5,-0.2 -3,-0.1 -0.498 42.8-174.3 -76.2 145.5 107.4 11.1 -4.3 703 194 C D - 0 0 107 -2,-0.2 2,-0.2 -51,-0.0 -54,-0.1 -0.895 25.6-127.7-145.7 103.3 107.8 7.5 -3.3 704 195 C W - 0 0 64 -56,-0.4 3,-0.0 -2,-0.4 -2,-0.0 -0.379 19.1-156.6 -63.9 118.8 105.5 6.3 -0.5 705 196 C H - 0 0 114 -2,-0.2 -1,-0.1 1,-0.1 -56,-0.0 -0.833 32.1-101.4 -92.0 131.5 107.4 4.7 2.3 706 197 C P + 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.225 55.8 151.9 -56.7 141.7 105.3 2.2 4.3 707 198 C R - 0 0 50 -3,-0.0 -80,-0.0 0, 0.0 -3,-0.0 -0.931 49.0 -67.8-157.7 169.8 103.9 3.5 7.6 708 199 C P - 0 0 87 0, 0.0 28,-0.0 0, 0.0 0, 0.0 -0.364 56.3-104.6 -65.9 151.1 100.9 3.0 9.9 709 200 C P - 0 0 48 0, 0.0 28,-0.3 0, 0.0 27,-0.1 -0.264 37.6-104.7 -68.7 160.7 97.4 4.0 8.6 710 201 C L B -r 737 0F 6 26,-3.4 28,-2.2 2,-0.1 29,-0.2 -0.192 15.8-137.6 -73.8 175.3 95.7 7.1 10.0 711 202 C D + 0 0 88 26,-0.2 29,-0.1 27,-0.2 26,-0.1 0.338 68.3 99.4-114.1 1.6 92.9 7.0 12.5 712 203 C C S S- 0 0 1 27,-0.1 27,-0.5 1,-0.1 -73,-0.2 -0.624 82.5 -97.7 -93.2 149.4 90.6 9.7 11.1 713 204 C P - 0 0 32 0, 0.0 -73,-2.1 0, 0.0 2,-0.4 -0.343 44.5-158.3 -56.1 145.7 87.5 9.1 8.9 714 205 C T E -pq 640 741E 4 26,-2.3 28,-1.6 -75,-0.2 2,-0.4 -0.998 16.0-170.5-136.0 134.2 88.3 9.6 5.3 715 206 C T E -pq 641 742E 1 -75,-2.4 -73,-2.1 -2,-0.4 2,-0.3 -0.996 11.3-166.3-127.0 124.6 86.2 10.3 2.3 716 207 C A E -pq 642 743E 0 26,-2.5 28,-2.4 -2,-0.4 2,-0.5 -0.868 7.7-146.3-112.7 146.6 87.7 10.1 -1.2 717 208 C F E -pq 643 744E 0 -75,-2.3 -73,-0.9 -2,-0.3 -72,-0.5 -0.939 10.1-170.3-118.4 126.7 86.2 11.4 -4.4 718 209 C S E - q 0 745E 1 26,-2.2 28,-2.1 -2,-0.5 2,-0.4 -0.789 13.9-142.8-103.1 157.4 86.6 9.8 -7.8 719 210 C A E > - q 0 746E 2 6,-1.1 3,-1.2 -2,-0.3 6,-0.3 -0.982 10.5-138.7-125.1 137.6 85.5 11.5 -11.1 720 211 C A T 3 S+ 0 0 67 26,-3.2 29,-0.1 -2,-0.4 28,-0.1 0.812 106.3 36.9 -60.8 -35.9 83.9 9.7 -14.1 721 212 C A T 3 S+ 0 0 60 27,-2.1 29,-0.4 26,-0.2 -1,-0.3 0.238 92.2 104.3-105.9 10.9 86.0 11.7 -16.7 722 213 C D X - 0 0 5 -3,-1.2 3,-1.5 26,-0.4 -3,-0.2 -0.840 51.4-165.6 -92.1 110.4 89.2 11.8 -14.6 723 214 C P T 3 S+ 0 0 77 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.813 92.9 46.8 -59.8 -25.1 91.8 9.3 -16.0 724 215 C I T 3 S+ 0 0 12 1,-0.2 -78,-0.3 -3,-0.1 -108,-0.0 0.126 110.2 50.3-105.3 14.8 93.7 9.8 -12.8 725 216 C A S < S+ 0 0 0 -3,-1.5 -6,-1.1 -6,-0.3 -1,-0.2 -0.073 72.5 158.5-138.4 37.3 90.9 9.4 -10.4 726 217 C T > - 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