==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JUL-01 1H7Q . COMPND 2 MOLECULE: SPORE COAT POLYSACCHARIDE BIOSYNTHESIS PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR N.TARBOURIECH,S.J.CHARNOCK,G.J.DAVIES . 240 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.2 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 . 1 0.4 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 . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 1 1 0 2 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 2 A P 0 0 53 0, 0.0 89,-0.5 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 149.5 -2.7 34.0 35.2 2 3 A K + 0 0 46 28,-0.8 89,-2.6 87,-0.2 88,-0.7 0.820 360.0 38.5 -59.8 -39.5 -3.8 31.9 38.1 3 4 A V E -ab 31 91A 0 27,-1.6 29,-2.1 86,-0.2 2,-0.6 -0.952 60.3-158.1-123.5 136.6 -1.0 29.3 37.7 4 5 A S E -ab 32 92A 0 87,-2.4 89,-2.0 -2,-0.4 2,-0.5 -0.979 14.6-162.0-108.8 115.5 2.7 29.5 36.7 5 6 A V E -ab 33 93A 0 27,-2.7 29,-2.9 -2,-0.6 2,-0.7 -0.905 5.6-160.4 -95.8 125.0 3.9 26.1 35.3 6 7 A I E -ab 34 94A 1 87,-2.5 89,-2.6 -2,-0.5 2,-0.4 -0.908 11.9-179.2-112.3 111.4 7.7 25.9 35.4 7 8 A M E -ab 35 95A 0 27,-3.0 29,-2.8 -2,-0.7 2,-0.3 -0.882 13.7-152.3-114.4 143.1 9.2 23.3 33.1 8 9 A T E -ab 36 96A 13 87,-1.4 89,-1.1 -2,-0.4 2,-0.4 -0.873 12.8-169.4-109.4 148.7 12.9 22.5 32.6 9 10 A S E +a 37 0A 3 27,-2.2 29,-2.8 -2,-0.3 2,-0.2 -0.996 16.2 159.2-141.4 130.4 14.3 21.1 29.4 10 11 A Y S S- 0 0 96 -2,-0.4 27,-0.0 27,-0.2 -2,-0.0 -0.748 71.6 -39.8-153.9 104.0 17.7 19.6 28.5 11 12 A N S S+ 0 0 57 -2,-0.2 3,-0.2 1,-0.1 2,-0.1 0.792 83.4 129.7 56.4 40.6 18.3 17.3 25.5 12 13 A K >> + 0 0 62 1,-0.1 4,-2.5 2,-0.0 3,-1.9 -0.440 18.3 155.7-117.8 57.8 15.2 15.1 25.6 13 14 A S T 34 + 0 0 18 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.779 69.9 55.0 -54.4 -33.9 14.2 15.5 21.9 14 15 A D T 34 S+ 0 0 125 -3,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.615 122.1 24.2 -78.3 -10.6 12.3 12.2 21.9 15 16 A Y T X> S+ 0 0 140 -3,-1.9 4,-1.6 2,-0.1 3,-0.7 0.643 95.4 84.5-123.5 -25.2 10.0 13.1 24.8 16 17 A V H 3X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.833 86.8 59.2 -63.2 -32.0 9.7 16.9 25.3 17 18 A A H 3> S+ 0 0 34 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.899 106.4 46.7 -62.1 -43.2 6.9 17.4 22.7 18 19 A K H <> S+ 0 0 124 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.900 113.1 51.5 -66.3 -38.4 4.5 15.0 24.6 19 20 A S H X S+ 0 0 2 -4,-1.6 4,-1.1 78,-0.3 82,-0.3 0.972 114.0 41.6 -60.5 -54.7 5.4 16.8 27.8 20 21 A I H >X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 3,-0.8 0.932 113.7 52.7 -61.9 -44.8 4.7 20.2 26.5 21 22 A S H 3X S+ 0 0 59 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.882 103.0 57.6 -59.7 -38.3 1.6 19.1 24.7 22 23 A S H 3< S+ 0 0 12 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.795 111.9 44.0 -63.4 -28.9 0.2 17.5 27.9 23 24 A I H X< S+ 0 0 2 -4,-1.1 3,-1.9 -3,-0.8 -2,-0.2 0.934 111.2 50.7 -78.9 -53.3 0.5 21.0 29.5 24 25 A L H 3< S+ 0 0 25 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.787 108.8 53.2 -58.9 -26.3 -0.9 23.0 26.6 25 26 A S T 3< S+ 0 0 79 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.306 78.5 136.4 -93.0 8.5 -4.0 20.8 26.3 26 27 A Q < - 0 0 8 -3,-1.9 78,-0.2 1,-0.1 -3,-0.1 -0.296 60.9-131.6 -55.1 140.2 -5.0 21.1 30.1 27 28 A T S S+ 0 0 80 76,-1.9 2,-0.7 1,-0.1 -1,-0.1 0.868 101.6 67.8 -60.7 -37.2 -8.7 21.6 30.7 28 29 A F + 0 0 37 75,-0.4 -2,-0.1 1,-0.1 78,-0.1 -0.779 67.3 175.5 -82.4 114.7 -7.7 24.5 33.1 29 30 A S + 0 0 77 -2,-0.7 2,-2.0 1,-0.1 -1,-0.1 0.544 44.6 101.1-105.2 -5.2 -6.2 27.0 30.6 30 31 A D + 0 0 86 -29,-0.1 -27,-1.6 2,-0.0 -28,-0.8 -0.411 62.3 101.9 -86.5 68.5 -5.4 30.0 32.8 31 32 A F E -a 3 0A 7 -2,-2.0 2,-0.4 -29,-0.2 -27,-0.2 -0.924 62.8-132.6-139.2 162.5 -1.7 29.5 33.2 32 33 A E E -a 4 0A 11 -29,-2.1 -27,-2.7 -2,-0.3 2,-0.6 -0.959 23.3-147.3-109.8 140.7 1.7 30.7 31.9 33 34 A L E -ac 5 57A 0 23,-2.6 25,-3.3 -2,-0.4 2,-0.6 -0.924 4.9-158.7-111.4 109.4 4.2 28.0 30.9 34 35 A F E -ac 6 58A 0 -29,-2.9 -27,-3.0 -2,-0.6 2,-0.8 -0.772 2.5-165.3 -81.1 119.0 7.9 28.7 31.4 35 36 A I E -ac 7 59A 0 23,-2.1 25,-2.6 -2,-0.6 2,-1.0 -0.913 7.1-172.0-104.0 103.1 10.0 26.5 29.2 36 37 A M E -ac 8 60A 1 -29,-2.8 -27,-2.2 -2,-0.8 2,-0.4 -0.826 5.4-171.4 -98.7 93.7 13.5 26.9 30.7 37 38 A D E -ac 9 61A 0 23,-2.7 25,-2.2 -2,-1.0 -27,-0.2 -0.757 20.2-144.1 -90.0 136.4 15.7 25.2 28.3 38 39 A D - 0 0 5 -29,-2.8 23,-0.1 -2,-0.4 -28,-0.1 -0.117 63.7 -74.1 -97.2 40.6 19.3 24.7 29.4 39 40 A N S S- 0 0 46 -2,-0.2 -1,-0.1 -30,-0.1 -29,-0.1 0.953 72.9-172.0 69.3 58.4 20.9 25.2 26.0 40 41 A S - 0 0 8 1,-0.2 -1,-0.1 -31,-0.1 -3,-0.0 -0.119 25.2 -81.0 -74.7 171.3 19.9 21.9 24.4 41 42 A N > - 0 0 70 1,-0.1 4,-2.5 4,-0.0 3,-0.2 -0.057 45.0 -97.2 -67.9 169.5 21.0 20.4 21.1 42 43 A E H > S+ 0 0 155 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 121.3 55.7 -54.6 -48.9 19.5 21.2 17.7 43 44 A E H > S+ 0 0 117 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.888 112.6 43.0 -55.0 -41.5 17.2 18.2 17.6 44 45 A T H > S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 3,-0.3 0.927 111.9 51.6 -70.3 -48.7 15.6 19.3 21.0 45 46 A L H X S+ 0 0 29 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.914 109.2 52.2 -56.7 -41.0 15.4 22.9 20.2 46 47 A N H < S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.812 108.0 50.1 -70.2 -31.2 13.6 22.0 16.9 47 48 A V H < S+ 0 0 42 -4,-1.2 4,-0.3 -3,-0.3 -1,-0.2 0.851 114.6 45.3 -69.4 -36.2 11.0 19.9 18.6 48 49 A I H >X S+ 0 0 2 -4,-2.1 3,-1.8 1,-0.2 4,-0.6 0.882 94.1 83.4 -75.3 -37.5 10.3 22.7 21.1 49 50 A R G >< S+ 0 0 131 -4,-2.5 3,-1.1 1,-0.3 4,-0.3 0.745 84.7 51.2 -39.3 -52.0 10.1 25.4 18.4 50 51 A P G >4 S+ 0 0 76 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.799 102.7 61.7 -59.0 -31.1 6.5 25.0 17.2 51 52 A F G X4 S+ 0 0 43 -3,-1.8 3,-1.9 -4,-0.3 6,-0.2 0.696 85.5 75.5 -69.8 -18.7 5.1 25.2 20.8 52 53 A L G << S+ 0 0 60 -3,-1.1 -1,-0.2 -4,-0.6 5,-0.1 0.728 80.8 72.3 -66.8 -17.5 6.6 28.7 21.1 53 54 A N G < S+ 0 0 145 -3,-1.2 2,-0.5 -4,-0.3 -1,-0.3 0.614 73.7 97.8 -68.6 -14.3 3.7 29.8 18.9 54 55 A D S X S- 0 0 39 -3,-1.9 3,-1.9 1,-0.1 -3,-0.0 -0.686 76.9-139.0 -81.0 123.5 1.3 29.2 21.9 55 56 A N T 3 S+ 0 0 160 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.613 97.3 61.1 -63.8 -12.1 0.7 32.7 23.6 56 57 A R T 3 S+ 0 0 54 -24,-0.1 -23,-2.6 2,-0.0 2,-0.4 0.576 82.6 98.6 -87.0 -10.5 1.0 31.2 27.1 57 58 A V E < -c 33 0A 19 -3,-1.9 2,-0.6 -6,-0.2 -23,-0.2 -0.677 51.6-167.1 -87.6 130.6 4.6 29.9 26.7 58 59 A R E -c 34 0A 63 -25,-3.3 -23,-2.1 -2,-0.4 2,-0.4 -0.932 16.4-162.5-114.6 99.8 7.4 31.9 28.1 59 60 A F E +c 35 0A 60 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.723 13.8 175.3 -92.2 130.8 10.6 30.4 26.6 60 61 A Y E -c 36 0A 82 -25,-2.6 -23,-2.7 -2,-0.4 2,-0.5 -0.999 9.5-165.1-132.8 131.5 14.0 31.1 28.1 61 62 A Q E -c 37 0A 86 -2,-0.4 -23,-0.2 -25,-0.2 -25,-0.1 -0.981 13.0-141.9-118.4 124.5 17.3 29.5 26.8 62 63 A S - 0 0 20 -25,-2.2 -23,-0.1 -2,-0.5 -25,-0.0 -0.222 12.3-134.1 -71.2 175.4 20.5 29.5 28.9 63 64 A D + 0 0 145 -25,-0.0 -1,-0.1 2,-0.0 -25,-0.1 0.179 54.5 145.3-112.0 9.2 24.0 30.0 27.4 64 65 A I + 0 0 23 5,-0.1 2,-0.3 6,-0.0 -2,-0.0 -0.194 19.7 168.3 -54.3 138.0 25.4 27.1 29.6 65 66 A S + 0 0 85 1,-0.1 4,-0.5 0, 0.0 3,-0.1 -0.930 31.3 12.1-157.7 131.7 28.1 25.1 28.0 66 67 A G S > S- 0 0 41 -2,-0.3 4,-2.2 2,-0.1 5,-0.2 0.014 84.8 -69.9 91.9 163.5 30.6 22.4 29.1 67 68 A V H > S+ 0 0 37 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.864 124.0 56.4 -62.4 -40.1 31.3 20.3 32.1 68 69 A K H >> S+ 0 0 158 1,-0.2 4,-1.2 2,-0.2 3,-0.9 0.977 113.2 40.2 -57.0 -55.4 32.4 23.1 34.4 69 70 A E H 3> S+ 0 0 88 -4,-0.5 4,-0.6 1,-0.2 3,-0.3 0.878 113.7 53.3 -63.9 -37.1 29.1 25.1 34.0 70 71 A R H 3< S+ 0 0 21 -4,-2.2 5,-0.4 1,-0.2 -1,-0.2 0.662 117.2 38.3 -71.9 -17.5 26.8 22.0 34.1 71 72 A T H << S+ 0 0 17 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.459 94.1 82.1-112.1 -4.0 28.4 20.9 37.4 72 73 A E H < S+ 0 0 129 -4,-1.2 2,-0.3 -3,-0.3 -2,-0.1 0.830 108.8 5.6 -66.5 -38.6 28.8 24.3 39.1 73 74 A K S < S- 0 0 86 -4,-0.6 2,-1.0 107,-0.2 107,-0.2 -0.933 89.0 -90.9-138.1 163.0 25.1 24.3 40.2 74 75 A T > - 0 0 0 105,-2.8 4,-2.0 -2,-0.3 3,-0.2 -0.724 48.5-152.6 -72.7 104.0 22.1 21.9 40.1 75 76 A R H > S+ 0 0 16 -2,-1.0 4,-2.5 -5,-0.4 5,-0.2 0.887 85.4 50.8 -57.9 -45.4 21.0 23.3 36.8 76 77 A Y H > S+ 0 0 46 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.889 109.6 52.3 -63.9 -36.3 17.3 22.7 37.0 77 78 A A H > S+ 0 0 0 -3,-0.2 4,-3.1 2,-0.2 100,-0.3 0.920 110.0 48.7 -64.1 -43.5 17.2 24.3 40.5 78 79 A A H X S+ 0 0 3 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.889 114.4 46.0 -59.0 -43.1 18.9 27.4 39.1 79 80 A L H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.922 112.6 49.6 -64.9 -43.8 16.5 27.5 36.1 80 81 A I H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.959 109.6 52.0 -62.6 -48.3 13.5 27.0 38.4 81 82 A N H X S+ 0 0 13 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.846 108.7 51.9 -54.3 -39.6 14.7 29.8 40.7 82 83 A Q H X S+ 0 0 94 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.903 110.6 47.2 -60.7 -46.1 15.0 32.1 37.6 83 84 A A H >X S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 4,-1.1 0.899 105.7 58.7 -64.1 -43.2 11.5 31.3 36.6 84 85 A I H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.900 102.2 55.3 -53.4 -40.8 10.1 31.9 40.1 85 86 A E H 3< S+ 0 0 153 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.724 114.2 39.7 -66.4 -24.2 11.5 35.4 40.0 86 87 A M H << S+ 0 0 59 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.513 90.2 120.6 -98.3 -6.7 9.5 36.1 36.8 87 88 A A << - 0 0 15 -4,-1.1 -83,-0.1 -3,-0.8 5,-0.0 -0.318 36.7-177.4 -73.1 140.5 6.3 34.2 37.8 88 89 A E + 0 0 134 -85,-0.1 -1,-0.1 -2,-0.1 2,-0.1 0.474 46.9 112.2-108.5 -6.4 3.0 36.0 37.9 89 90 A G - 0 0 4 1,-0.1 -87,-0.2 2,-0.1 -86,-0.2 -0.348 62.8-143.4 -75.3 148.2 0.8 33.2 39.2 90 91 A E S S+ 0 0 94 -88,-0.7 73,-2.6 -89,-0.5 2,-0.4 0.800 95.3 44.5 -70.3 -35.1 -0.9 32.9 42.5 91 92 A Y E S-bD 3 162A 1 -89,-2.6 -87,-2.4 71,-0.2 2,-0.4 -0.911 75.3-155.1-114.7 146.8 -0.2 29.1 42.4 92 93 A I E +bD 4 161A 0 69,-3.4 69,-2.8 -2,-0.4 2,-0.3 -0.933 16.1 169.5-121.4 139.7 3.1 27.5 41.3 93 94 A T E -bD 5 160A 0 -89,-2.0 -87,-2.5 -2,-0.4 2,-0.3 -0.975 22.2-128.3-146.8 158.7 3.7 24.0 39.9 94 95 A Y E +b 6 0A 0 65,-0.8 2,-0.3 62,-0.3 -87,-0.2 -0.822 21.6 173.3-116.5 147.3 6.6 22.1 38.3 95 96 A A E -b 7 0A 1 -89,-2.6 -87,-1.4 -2,-0.3 2,-0.3 -0.952 10.7-156.5-141.3 161.3 7.0 20.1 35.0 96 97 A T E > -b 8 0A 16 -2,-0.3 3,-1.2 -89,-0.2 -87,-0.2 -0.900 33.9-106.9-136.8 168.5 9.9 18.4 33.2 97 98 A D T 3 S+ 0 0 3 -89,-1.1 -78,-0.3 -2,-0.3 -79,-0.1 0.484 118.0 44.6 -74.1 -6.5 10.7 17.3 29.7 98 99 A D T 3 S+ 0 0 71 -79,-0.1 114,-0.6 -80,-0.1 2,-0.4 0.161 99.4 84.4-118.8 16.5 10.2 13.6 30.6 99 100 A N E < -E 211 0A 2 -3,-1.2 2,-0.5 112,-0.1 112,-0.2 -0.945 62.4-146.5-125.1 142.5 7.0 13.8 32.6 100 101 A I E -E 210 0A 14 110,-2.9 110,-3.0 -2,-0.4 2,-0.4 -0.910 7.3-143.1-113.6 128.4 3.4 13.9 31.4 101 102 A Y E -E 209 0A 5 -2,-0.5 108,-0.2 -82,-0.3 107,-0.1 -0.722 21.5-125.1 -81.5 133.8 0.5 15.8 33.0 102 103 A M > - 0 0 75 106,-2.7 3,-2.0 -2,-0.4 4,-0.3 -0.540 33.4-106.8 -70.1 148.3 -3.0 14.1 33.0 103 104 A P T 3 S+ 0 0 69 0, 0.0 -76,-1.9 0, 0.0 -75,-0.4 0.742 115.8 43.1 -52.4 -34.2 -5.6 16.4 31.3 104 105 A D T 3> S+ 0 0 69 1,-0.2 4,-2.8 -78,-0.2 5,-0.3 0.271 83.2 107.5 -98.7 10.4 -7.5 17.4 34.5 105 106 A R H <> S+ 0 0 0 -3,-2.0 4,-2.4 2,-0.2 5,-0.2 0.935 82.4 38.8 -50.0 -60.2 -4.3 17.9 36.6 106 107 A L H > S+ 0 0 0 -4,-0.3 4,-2.9 -3,-0.2 5,-0.3 0.924 116.2 52.7 -63.0 -44.0 -4.4 21.8 36.8 107 108 A L H > S+ 0 0 44 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.950 112.7 43.4 -55.3 -51.0 -8.1 21.9 37.2 108 109 A K H X S+ 0 0 69 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.915 117.0 45.7 -68.5 -37.8 -8.2 19.4 40.1 109 110 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.915 111.9 50.0 -70.8 -45.2 -5.2 21.1 41.9 110 111 A V H X S+ 0 0 4 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.910 110.7 51.8 -58.1 -43.4 -6.4 24.6 41.5 111 112 A R H X S+ 0 0 155 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.880 106.8 53.5 -61.1 -38.6 -9.8 23.5 42.9 112 113 A E H X S+ 0 0 44 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.950 114.2 40.2 -62.9 -48.0 -8.2 22.0 45.9 113 114 A L H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.818 114.6 52.7 -70.9 -34.3 -6.3 25.1 46.8 114 115 A D H < S+ 0 0 79 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.859 114.0 44.0 -67.3 -34.0 -9.2 27.4 46.0 115 116 A T H < S+ 0 0 93 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.812 115.3 46.6 -81.8 -31.3 -11.5 25.4 48.2 116 117 A H >< + 0 0 53 -4,-1.8 3,-1.9 -5,-0.2 -1,-0.2 -0.796 55.9 178.2-121.2 87.3 -9.1 25.0 51.2 117 118 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.719 82.4 63.3 -58.8 -23.9 -7.4 28.3 52.2 118 119 A E T 3 S+ 0 0 116 2,-0.0 2,-0.4 0, 0.0 -5,-0.1 0.661 88.2 79.6 -78.1 -17.6 -5.7 26.4 55.1 119 120 A K < + 0 0 29 -3,-1.9 3,-0.1 -7,-0.2 -3,-0.1 -0.765 49.0 170.2 -90.4 131.9 -3.8 24.1 52.7 120 121 A A + 0 0 13 -2,-0.4 42,-2.4 1,-0.3 2,-0.4 0.704 67.3 35.6-110.1 -29.3 -0.7 25.8 51.1 121 122 A V E -F 161 0A 2 79,-0.5 81,-2.9 40,-0.2 -1,-0.3 -0.999 68.1-177.7-125.7 128.7 1.1 22.8 49.5 122 123 A I E -Fg 160 202A 0 38,-2.7 38,-2.3 -2,-0.4 2,-0.3 -0.946 3.8-169.6-124.6 156.4 -0.7 20.0 47.8 123 124 A Y E -Fg 159 203A 14 79,-2.8 81,-1.3 -2,-0.3 36,-0.2 -0.989 5.5-153.7-142.1 149.6 0.4 16.8 46.0 124 125 A S E - g 0 204A 3 34,-2.2 81,-0.2 -2,-0.3 83,-0.2 -0.578 32.5 -90.2-111.6 176.8 -1.1 14.1 43.9 125 126 A A E - g 0 207A 2 81,-2.4 83,-1.9 79,-1.0 84,-0.6 -0.485 41.5-152.3 -79.9 160.2 -0.3 10.5 43.2 126 127 A S E -Hg 141 209A 2 15,-1.8 15,-2.7 81,-0.2 2,-0.4 -0.969 3.3-150.6-136.4 148.3 2.0 9.8 40.3 127 128 A K E -Hg 140 210A 21 82,-2.4 84,-2.8 -2,-0.3 2,-0.4 -0.960 3.6-163.4-124.9 140.9 2.4 6.8 38.0 128 129 A T E -Hg 139 211A 21 11,-2.6 11,-3.0 -2,-0.4 2,-0.6 -0.994 8.2-153.3-123.7 127.5 5.4 5.3 36.1 129 130 A Y E -Hg 138 212A 41 82,-3.0 84,-3.0 -2,-0.4 2,-0.5 -0.894 10.2-150.5-100.4 118.6 5.1 2.9 33.2 130 131 A H E -Hg 137 213A 21 7,-2.7 6,-2.3 -2,-0.6 7,-1.2 -0.821 21.9-149.5 -90.6 123.2 8.2 0.6 32.9 131 132 A L E Hg 135 214A 56 82,-3.8 84,-2.6 -2,-0.5 4,-0.2 -0.746 360.0 360.0-109.2 153.3 8.6 -0.3 29.3 132 133 A N 0 0 143 2,-2.5 -1,-0.1 -2,-0.3 3,-0.1 -0.602 360.0 360.0 172.1 360.0 10.0 -3.2 27.3 133 ! 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 0.0 134 137 A D 0 0 164 0, 0.0 -2,-2.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0-132.2 4.9 -2.8 25.8 135 138 A I E +H 131 0A 87 -4,-0.2 -4,-0.2 1,-0.2 3,-0.1 -0.746 360.0 164.7 -92.6 123.5 4.3 -2.4 29.6 136 139 A V E + 0 0 70 -6,-2.3 2,-0.3 -2,-0.6 -5,-0.2 0.726 69.1 14.5-103.5 -22.6 6.1 -4.7 31.9 137 140 A K E -H 130 0A 96 -7,-1.2 -7,-2.7 2,-0.0 2,-0.4 -0.994 55.5-159.2-153.4 143.6 5.6 -2.9 35.2 138 141 A E E -H 129 0A 110 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.999 11.6-166.6-127.9 130.6 3.5 0.0 36.6 139 142 A T E -H 128 0A 56 -11,-3.0 -11,-2.6 -2,-0.4 2,-0.4 -0.973 2.5-164.7-118.7 127.1 4.7 1.8 39.8 140 143 A V E -H 127 0A 63 -2,-0.5 -13,-0.2 -13,-0.2 -2,-0.0 -0.934 11.3-155.2-115.1 134.6 2.4 4.2 41.7 141 144 A R E -H 126 0A 121 -15,-2.7 -15,-1.8 -2,-0.4 14,-0.1 -0.933 28.9-141.2-102.5 111.9 3.4 6.7 44.3 142 145 A P - 0 0 91 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.162 16.9-154.8 -77.4 163.2 0.4 7.2 46.5 143 146 A A + 0 0 1 -18,-0.1 -18,-0.2 1,-0.1 3,-0.1 -0.732 45.5 133.8-132.2 79.0 -0.9 10.5 48.0 144 147 A A + 0 0 79 -2,-0.2 2,-0.3 1,-0.1 61,-0.1 0.589 58.6 35.8-107.6 -14.2 -2.8 9.1 51.0 145 148 A Q S S- 0 0 127 -3,-0.1 2,-0.3 59,-0.0 -1,-0.1 -0.979 78.0-104.3-145.6 154.4 -1.7 11.3 53.9 146 149 A V - 0 0 63 -2,-0.3 2,-0.4 56,-0.1 56,-0.2 -0.551 50.0-160.6 -66.8 134.0 -0.8 14.8 55.0 147 150 A T B -I 201 0B 18 54,-2.1 54,-2.6 -2,-0.3 3,-0.2 -0.975 40.6-175.8-140.1 135.3 3.0 14.7 55.4 148 151 A W S S+ 0 0 75 -2,-0.4 2,-0.1 52,-0.2 93,-0.1 0.303 89.8 61.8 -93.7 3.0 5.6 16.7 57.1 149 152 A N + 0 0 21 1,-0.1 -1,-0.2 52,-0.1 4,-0.1 -0.552 56.5 149.6-134.2 66.6 8.3 14.5 55.5 150 153 A A >> + 0 0 0 -3,-0.2 3,-2.8 42,-0.2 4,-1.7 0.793 28.9 118.8 -68.2 -34.9 8.0 14.8 51.7 151 154 A P T 34 S- 0 0 0 0, 0.0 4,-0.1 0, 0.0 38,-0.1 -0.101 94.5 -8.0 -48.5 128.3 11.7 14.2 50.6 152 155 A a T 34 S+ 0 0 43 2,-0.4 3,-0.1 1,-0.1 -2,-0.1 0.318 124.9 78.5 64.8 -3.2 12.0 11.2 48.4 153 156 A A T <4 S+ 0 0 43 -3,-2.8 2,-0.4 1,-0.2 -1,-0.1 0.707 95.1 42.9 -99.1 -22.9 8.3 10.3 49.0 154 157 A I S < S- 0 0 11 -4,-1.7 -2,-0.4 -29,-0.0 -1,-0.2 -0.974 83.8-124.8-127.9 133.4 6.9 12.9 46.6 155 158 A D > - 0 0 44 -2,-0.4 3,-2.1 1,-0.1 4,-0.1 -0.501 20.2-114.4 -84.7 149.5 8.1 13.7 43.1 156 159 A H G > S+ 0 0 14 1,-0.3 3,-0.6 -2,-0.2 -62,-0.3 0.781 116.2 47.5 -25.4 -56.0 9.1 17.0 41.5 157 160 A C G 3 S+ 0 0 1 1,-0.2 -1,-0.3 -64,-0.1 -61,-0.1 0.358 97.0 71.6 -86.3 6.0 6.2 16.8 39.1 158 161 A S G < S+ 0 0 2 -3,-2.1 -34,-2.2 -35,-0.1 2,-0.3 0.304 82.7 84.1-107.9 16.2 3.4 16.0 41.6 159 162 A V E < - F 0 123A 0 -3,-0.6 -65,-0.8 -36,-0.2 2,-0.3 -0.834 42.1-178.2-128.2 153.1 3.0 19.3 43.5 160 163 A M E +DF 93 122A 0 -38,-2.3 -38,-2.7 -2,-0.3 2,-0.3 -0.992 18.3 176.7-136.8 141.6 1.3 22.7 43.4 161 164 A H E -DF 92 121A 3 -69,-2.8 -69,-3.4 -2,-0.3 -40,-0.2 -0.994 34.3 -95.1-145.9 161.2 1.7 25.4 46.0 162 165 A R E >> -D 91 0A 32 -42,-2.4 3,-1.2 -2,-0.3 4,-0.6 -0.320 34.6-124.5 -65.6 142.5 0.8 29.0 46.8 163 166 A Y H >> S+ 0 0 70 -73,-2.6 3,-1.4 1,-0.2 4,-0.6 0.843 107.2 70.4 -54.7 -31.7 3.3 31.5 45.8 164 167 A S H 3> S+ 0 0 56 -74,-0.3 4,-1.3 1,-0.3 3,-0.5 0.785 84.3 69.0 -65.4 -23.9 3.4 32.7 49.4 165 168 A V H <> S+ 0 0 0 -3,-1.2 4,-1.7 1,-0.2 -1,-0.3 0.919 92.0 61.1 -56.5 -40.5 5.2 29.5 50.4 166 169 A L H - 0 0 43 -107,-0.2 3,-2.0 1,-0.2 -107,-0.2 -0.306 60.2-140.4 -62.4 130.2 24.1 23.4 45.5 181 184 A P G > S+ 0 0 24 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.563 94.2 79.7 -71.6 -7.1 25.4 20.6 43.2 182 185 A A G 3 S+ 0 0 14 1,-0.3 45,-1.9 2,-0.1 3,-0.2 0.693 96.3 48.5 -68.8 -19.1 25.6 18.3 46.2 183 186 A F G < S+ 0 0 1 -3,-2.0 3,-0.3 43,-0.2 -1,-0.3 -0.043 74.9 121.8-110.5 38.0 21.9 17.9 45.7 184 187 A Y S X S+ 0 0 33 -3,-1.3 3,-0.6 1,-0.2 -1,-0.2 0.863 74.0 45.7 -66.1 -41.1 22.0 17.2 42.0 185 188 A R T 3 S+ 0 0 191 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.709 127.0 26.1 -75.1 -26.6 20.3 13.8 42.1 186 189 A I T 3> S+ 0 0 22 -3,-0.3 4,-2.0 41,-0.1 -1,-0.2 -0.250 70.5 142.0-134.8 47.5 17.4 14.8 44.5 187 190 A G H <> S+ 0 0 4 -3,-0.6 4,-1.9 1,-0.2 -9,-0.3 0.849 75.0 54.9 -61.6 -36.8 17.0 18.5 44.0 188 191 A D H > S+ 0 0 26 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.933 107.2 51.2 -61.3 -43.1 13.2 18.2 44.3 189 192 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.898 108.7 51.4 -61.6 -38.9 13.7 16.5 47.7 190 193 A R H X S+ 0 0 30 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.852 111.7 45.4 -68.5 -38.6 15.9 19.2 48.9 191 194 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.919 112.5 51.1 -70.2 -42.7 13.4 21.9 48.0 192 195 A F H X S+ 0 0 2 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.904 106.0 58.1 -59.6 -34.8 10.6 19.9 49.5 193 196 A W H < S+ 0 0 26 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.906 106.8 47.2 -61.6 -42.3 12.9 19.7 52.6 194 197 A R H >< S+ 0 0 16 -4,-1.6 3,-1.8 1,-0.2 4,-0.3 0.950 111.5 49.1 -63.1 -47.8 13.0 23.4 52.9 195 198 A V H >X S+ 0 0 1 -4,-2.3 3,-2.5 1,-0.3 4,-2.4 0.892 102.7 63.8 -58.8 -39.9 9.2 23.8 52.5 196 199 A N T 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.470 84.6 74.4 -67.3 -6.4 8.7 21.1 55.2 197 200 A H T <4 S+ 0 0 24 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.699 120.4 10.4 -71.3 -20.6 10.4 23.4 57.7 198 201 A F T <4 S+ 0 0 61 -3,-2.5 -2,-0.2 1,-0.3 -3,-0.1 0.603 125.4 43.1-131.9 -22.6 7.1 25.4 57.5 199 202 A Y < - 0 0 40 -4,-2.4 -1,-0.3 -51,-0.1 2,-0.2 -0.988 59.5-138.3-138.7 142.0 4.4 23.5 55.7 200 203 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 -79,-0.5 -0.535 31.1-115.1 -85.2 159.6 3.0 20.0 55.4 201 204 A F B -I 147 0B 2 -54,-2.6 -54,-2.1 -2,-0.2 -79,-0.2 -0.901 24.9-146.3-100.6 122.1 2.0 18.6 52.0 202 205 A Y E - g 0 122A 59 -81,-2.9 -79,-2.8 -2,-0.5 -56,-0.1 -0.787 19.9-123.5 -94.8 133.7 -1.7 17.9 51.5 203 206 A P E - g 0 123A 27 0, 0.0 2,-0.3 0, 0.0 -79,-0.2 -0.215 17.9-164.9 -77.5 150.4 -2.7 14.8 49.4 204 207 A L E - g 0 124A 17 -81,-1.3 2,-5.0 2,-0.1 -79,-1.0 -0.840 21.5-145.9-128.9 95.8 -4.9 14.4 46.3 205 208 A D E + 0 0 122 -2,-0.3 2,-0.4 -81,-0.2 -81,-0.1 -0.146 65.6 101.2 -63.6 54.8 -5.6 10.8 46.0 206 209 A E E S- 0 0 71 -2,-5.0 -81,-2.4 -81,-0.0 2,-1.0 -0.999 77.2-119.2-140.8 145.0 -5.5 10.9 42.3 207 210 A E E + g 0 125A 86 -2,-0.4 -81,-0.2 -83,-0.2 -2,-0.1 -0.699 44.6 157.0 -84.4 102.5 -3.0 10.0 39.7 208 211 A L E + 0 0 5 -83,-1.9 -106,-2.7 -2,-1.0 2,-0.3 0.486 53.7 48.3-112.2 -4.8 -2.3 13.3 37.9 209 212 A D E -Eg 101 126A 2 -84,-0.6 -82,-2.4 -108,-0.2 2,-0.4 -0.988 63.3-155.1-139.1 155.7 1.1 12.9 36.3 210 213 A L E -Eg 100 127A 15 -110,-3.0 -110,-2.9 -2,-0.3 2,-0.4 -0.935 5.8-169.8-129.7 131.2 2.7 10.1 34.3 211 214 A N E -Eg 99 128A 25 -84,-2.8 -82,-3.0 -2,-0.4 2,-0.4 -0.976 7.6-156.9-124.4 146.4 6.4 8.9 33.6 212 215 A Y E + g 0 129A 110 -114,-0.6 2,-0.3 -2,-0.4 -82,-0.2 -0.969 20.9 164.6-116.1 132.0 7.6 6.4 31.1 213 216 A I E - g 0 130A 67 -84,-3.0 -82,-3.8 -2,-0.4 2,-0.4 -0.960 40.3-109.7-140.0 160.1 10.8 4.6 31.5 214 217 A T E g 0 131A 113 -2,-0.3 -82,-0.2 -84,-0.2 -84,-0.1 -0.759 360.0 360.0 -88.5 137.5 12.6 1.6 30.1 215 218 A D 0 0 110 -84,-2.6 -1,-0.1 -2,-0.4 -86,-0.0 -0.418 360.0 360.0 -67.9 360.0 12.7 -1.2 32.6 216 ! 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 0.0 217 231 A N > 0 0 156 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 150.4 30.5 10.5 31.7 218 232 A E T 4 + 0 0 107 2,-0.2 4,-0.4 1,-0.2 0, 0.0 0.750 360.0 59.9 -67.7 -22.7 32.8 13.5 32.2 219 233 A F T >4 S+ 0 0 64 2,-0.2 3,-1.9 1,-0.2 -1,-0.2 0.986 103.2 43.9 -69.5 -56.8 29.6 14.8 33.7 220 234 A V G >4 S+ 0 0 84 1,-0.3 3,-1.3 2,-0.2 -2,-0.2 0.912 110.9 57.3 -56.3 -39.8 29.1 12.3 36.5 221 235 A R G 3< S+ 0 0 183 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.601 103.0 54.7 -73.0 -5.8 32.9 12.4 37.3 222 236 A N G < S+ 0 0 78 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.158 83.0 97.4-114.0 16.2 32.8 16.1 38.0 223 237 A L S < S- 0 0 33 -3,-1.3 3,-0.1 -4,-0.2 -41,-0.1 -0.786 75.8-110.6 -97.1 157.4 30.1 16.5 40.6 224 238 A P - 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