==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-AUG-13 4MGE . COMPND 2 MOLECULE: PTS SYSTEM, CELLOBIOSE-SPECIFIC IIB COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR G.MINASOV,L.SHUVALOVA,A.HALAVATY,J.WINSOR,I.DUBROVSKA,S.SHAT . 215 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 14.9 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 . 7 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 2 0 0 0 0 1 1 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 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 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 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 M 0 0 43 0, 0.0 2,-0.6 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 103.9 3.9 10.6 49.1 2 2 A N - 0 0 40 29,-0.2 47,-3.2 45,-0.1 48,-1.5 -0.881 360.0-171.2 -99.8 121.6 6.4 13.3 48.1 3 3 A I E -ab 33 50A 0 29,-2.6 31,-2.2 -2,-0.6 2,-0.5 -0.949 5.0-163.6-122.7 118.0 4.8 16.0 45.9 4 4 A L E -ab 34 51A 0 46,-2.9 48,-2.8 -2,-0.5 2,-0.4 -0.855 5.6-159.9-101.2 129.8 7.0 18.6 44.2 5 5 A L E -ab 35 52A 1 29,-2.9 31,-2.4 -2,-0.5 2,-0.3 -0.884 18.5-125.5-109.3 144.9 5.3 21.7 42.8 6 6 A C E +ab 36 53A 1 46,-2.2 48,-2.3 -2,-0.4 51,-0.2 -0.950 56.7 3.6-133.0 152.6 6.9 24.0 40.2 7 7 A C E S+a 37 0A 24 29,-0.6 31,-0.7 -2,-0.3 2,-0.3 -0.785 102.9 22.4-126.8 29.3 7.8 26.8 39.4 8 8 A S - 0 0 50 29,-0.2 28,-0.2 28,-0.1 29,-0.1 -0.993 39.0-153.3-149.5 152.0 7.3 29.4 42.1 9 9 A A + 0 0 62 -2,-0.3 28,-0.1 26,-0.1 26,-0.0 -0.333 55.9 137.1-113.6 41.9 7.0 29.4 45.8 10 10 A G S > S- 0 0 35 4,-0.0 4,-2.4 1,-0.0 5,-0.3 -0.072 74.0 -77.3 -74.8-175.4 5.0 32.7 45.6 11 11 A M H > S+ 0 0 159 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.885 127.0 44.7 -53.7 -49.5 1.8 33.5 47.7 12 12 A S H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 116.2 42.6 -65.5 -55.3 -0.6 31.4 45.6 13 13 A T H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 115.8 50.0 -60.4 -40.4 1.5 28.2 45.2 14 14 A S H X S+ 0 0 44 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.867 107.7 53.4 -68.3 -34.3 2.6 28.3 48.8 15 15 A L H X S+ 0 0 84 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.928 110.1 49.2 -63.9 -40.8 -1.0 28.8 50.0 16 16 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.936 107.5 53.3 -64.9 -45.7 -1.9 25.7 48.0 17 17 A V H X S+ 0 0 14 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.910 108.2 51.0 -54.3 -43.2 1.0 23.7 49.5 18 18 A T H X S+ 0 0 84 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.945 112.5 46.0 -62.0 -44.7 -0.2 24.6 53.0 19 19 A K H X S+ 0 0 94 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.887 111.7 51.7 -64.6 -40.8 -3.7 23.4 52.1 20 20 A M H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.865 109.2 51.5 -63.6 -37.3 -2.3 20.2 50.5 21 21 A E H X S+ 0 0 96 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.859 108.6 50.2 -66.3 -38.0 -0.3 19.5 53.7 22 22 A A H X S+ 0 0 61 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.890 111.6 49.3 -65.7 -40.2 -3.4 19.9 55.8 23 23 A A H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.896 111.5 47.9 -66.9 -38.7 -5.2 17.4 53.6 24 24 A A H ><>S+ 0 0 10 -4,-2.0 5,-3.3 1,-0.2 3,-1.7 0.918 110.8 50.5 -70.0 -42.1 -2.4 14.9 53.7 25 25 A K H ><5S+ 0 0 173 -4,-2.2 3,-2.7 1,-0.3 -1,-0.2 0.939 104.2 59.2 -60.4 -45.3 -2.1 15.0 57.5 26 26 A A T 3<5S+ 0 0 80 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.363 108.5 45.2 -68.1 6.1 -5.8 14.5 57.7 27 27 A R T < 5S- 0 0 87 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 -0.036 117.1-115.7-129.8 23.9 -5.3 11.2 55.9 28 28 A G T < 5 + 0 0 68 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.773 62.0 160.5 43.9 33.6 -2.4 10.3 58.1 29 29 A L < - 0 0 61 -5,-3.3 2,-0.3 -6,-0.2 -1,-0.2 -0.728 28.1-152.1 -88.3 123.7 -0.4 10.5 54.9 30 30 A E + 0 0 174 -2,-0.5 2,-0.2 -3,-0.1 -5,-0.0 -0.696 42.5 87.2 -91.8 151.8 3.3 11.0 55.5 31 31 A G - 0 0 53 -2,-0.3 2,-0.4 -29,-0.0 -29,-0.2 -0.836 69.1 -77.3 148.8 177.0 5.5 12.8 53.0 32 32 A K - 0 0 80 -2,-0.2 -29,-2.6 15,-0.2 2,-0.4 -0.936 29.5-175.4-112.5 133.1 6.9 16.1 51.8 33 33 A I E +a 3 0A 10 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.998 24.6 154.1-123.2 118.7 5.0 18.6 49.7 34 34 A W E -a 4 0A 31 -31,-2.2 -29,-2.9 -2,-0.4 2,-0.4 -0.993 35.4-134.7-152.0 153.0 7.0 21.6 48.5 35 35 A A E +a 5 0A 21 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.902 24.6 172.6-110.6 139.5 7.3 24.2 45.9 36 36 A V E -a 6 0A 17 -31,-2.4 -29,-0.6 -2,-0.4 2,-0.1 -0.924 34.8-102.5-138.0 161.9 10.5 25.3 44.1 37 37 A S E > -a 7 0A 55 -2,-0.3 3,-2.0 -31,-0.2 4,-0.4 -0.407 47.8 -96.9 -78.9 166.8 11.4 27.5 41.2 38 38 A G G > S+ 0 0 27 -31,-0.7 3,-1.1 1,-0.3 4,-0.4 0.783 120.2 62.2 -57.4 -29.7 12.3 25.8 37.9 39 39 A D G 3 S+ 0 0 140 1,-0.3 -1,-0.3 -32,-0.1 4,-0.2 0.651 102.6 53.2 -72.2 -16.8 16.1 25.9 38.4 40 40 A A G <> S+ 0 0 22 -3,-2.0 4,-0.9 1,-0.1 -1,-0.3 0.484 82.3 88.3 -96.4 -5.2 15.6 23.6 41.4 41 41 A V H X> S+ 0 0 1 -3,-1.1 4,-2.6 -4,-0.4 3,-1.1 0.932 83.2 55.6 -63.1 -44.9 13.6 20.8 39.8 42 42 A K H 34 S+ 0 0 158 -4,-0.4 4,-0.4 1,-0.3 -1,-0.2 0.890 111.7 43.3 -54.7 -38.7 16.6 18.8 38.7 43 43 A T H 34 S+ 0 0 118 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.560 122.7 38.3 -87.0 -6.4 18.0 18.6 42.2 44 44 A N H XX S+ 0 0 32 -3,-1.1 4,-0.8 -4,-0.9 3,-0.6 0.568 91.2 85.7-115.2 -16.5 14.7 17.9 43.8 45 45 A I T 3< S+ 0 0 2 -4,-2.6 3,-0.5 1,-0.2 -3,-0.1 0.816 84.1 59.1 -57.7 -38.3 12.9 15.5 41.2 46 46 A D T 34 S+ 0 0 108 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.870 104.9 49.6 -64.1 -35.1 14.5 12.3 42.6 47 47 A Q T <4 S+ 0 0 94 -3,-0.6 -1,-0.2 -4,-0.1 -2,-0.2 0.750 100.8 86.8 -71.4 -24.7 13.0 12.8 46.1 48 48 A A < - 0 0 5 -4,-0.8 -45,-0.2 -3,-0.5 3,-0.1 -0.461 53.9-168.2 -80.8 149.4 9.5 13.4 44.4 49 49 A D S S+ 0 0 46 -47,-3.2 25,-1.9 1,-0.4 2,-0.3 0.651 84.8 19.9 -98.3 -27.6 6.9 10.8 43.5 50 50 A V E -bc 3 74A 0 -48,-1.5 -46,-2.9 23,-0.2 2,-0.5 -0.998 64.8-153.5-144.4 140.1 5.0 13.4 41.5 51 51 A L E -bc 4 75A 0 23,-3.2 25,-1.5 -2,-0.3 2,-0.4 -0.977 16.0-170.9-115.7 127.3 5.8 16.7 39.9 52 52 A L E -bc 5 76A 0 -48,-2.8 -46,-2.2 -2,-0.5 2,-0.4 -0.960 8.6-149.3-121.5 133.3 2.9 19.2 39.5 53 53 A L E -bc 6 77A 0 23,-2.4 25,-3.4 -2,-0.4 -46,-0.2 -0.859 19.8-116.5-105.4 140.7 3.1 22.4 37.5 54 54 A G > - 0 0 2 -48,-2.3 3,-2.0 -2,-0.4 -1,-0.0 -0.290 30.7-113.5 -63.8 151.0 1.1 25.6 38.2 55 55 A P G > S+ 0 0 35 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.816 115.2 63.8 -62.8 -24.6 -1.3 26.6 35.4 56 56 A Q G 3 S+ 0 0 109 1,-0.3 3,-0.2 2,-0.1 -49,-0.1 0.668 105.3 45.3 -74.8 -11.1 0.8 29.7 34.8 57 57 A V G X + 0 0 19 -3,-2.0 3,-2.2 -51,-0.2 -1,-0.3 0.010 69.2 125.1-118.7 29.6 3.8 27.5 33.7 58 58 A R G X + 0 0 129 -3,-1.3 3,-2.3 1,-0.3 4,-0.3 0.835 65.5 70.2 -53.4 -35.7 1.8 25.1 31.5 59 59 A Y G 3 S+ 0 0 186 1,-0.3 4,-0.3 -3,-0.2 -1,-0.3 0.645 91.5 59.8 -59.1 -14.4 4.3 26.0 28.7 60 60 A M G <> S+ 0 0 44 -3,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.461 78.6 93.7 -93.4 -0.4 7.0 24.1 30.6 61 61 A L H <> S+ 0 0 45 -3,-2.3 4,-3.1 2,-0.2 5,-0.3 0.945 79.2 52.3 -59.7 -55.8 5.2 20.8 30.5 62 62 A S H > S+ 0 0 99 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.901 116.9 40.3 -46.0 -49.2 6.8 19.3 27.4 63 63 A S H > S+ 0 0 90 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.873 116.9 47.2 -71.3 -39.2 10.2 19.9 28.7 64 64 A M H X S+ 0 0 16 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.826 106.2 61.4 -73.1 -28.6 9.5 18.9 32.3 65 65 A K H X S+ 0 0 73 -4,-3.1 4,-2.8 -5,-0.2 5,-0.3 0.843 97.5 56.4 -64.6 -36.7 7.8 15.8 31.1 66 66 A T H X S+ 0 0 97 -4,-1.0 4,-1.9 -5,-0.3 -1,-0.2 0.951 112.6 42.6 -61.9 -45.7 10.9 14.4 29.5 67 67 A L H X S+ 0 0 27 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.927 116.9 45.4 -63.4 -49.0 12.7 14.7 32.8 68 68 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-0.5 0.937 112.3 50.2 -62.5 -49.0 9.8 13.3 34.9 69 69 A D H ><5S+ 0 0 58 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.945 110.9 50.7 -55.8 -48.9 9.1 10.4 32.6 70 70 A E H 3<5S+ 0 0 125 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.862 113.7 44.1 -55.3 -40.2 12.8 9.5 32.6 71 71 A R T 3<5S- 0 0 108 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.319 114.3-114.1 -87.4 3.5 12.9 9.5 36.5 72 72 A N T < 5 + 0 0 130 -3,-1.5 2,-0.5 -4,-0.5 -3,-0.2 0.923 68.7 143.7 58.0 45.2 9.6 7.6 36.8 73 73 A V < - 0 0 6 -5,-2.5 -23,-0.2 -8,-0.1 -1,-0.2 -0.968 53.2-120.8-115.7 129.0 7.8 10.6 38.4 74 74 A G E -c 50 0A 9 -25,-1.9 -23,-3.2 -2,-0.5 2,-0.4 -0.343 36.3-169.8 -62.2 147.7 4.2 11.3 37.6 75 75 A I E +c 51 0A 20 -25,-0.2 2,-0.3 23,-0.1 -23,-0.2 -0.998 18.0 138.6-146.9 142.3 3.7 14.7 36.0 76 76 A D E -c 52 0A 14 -25,-1.5 -23,-2.4 -2,-0.4 2,-0.4 -0.978 47.5-100.0-165.8 167.6 0.8 17.0 35.2 77 77 A V E -c 53 0A 6 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.1 -0.832 46.9-108.3 -94.7 136.9 -0.3 20.6 35.2 78 78 A I - 0 0 1 -25,-3.4 -20,-0.1 -2,-0.4 13,-0.0 -0.389 39.0-102.4 -63.8 137.4 -2.6 21.5 38.1 79 79 A N > - 0 0 48 1,-0.2 4,-2.7 -2,-0.1 3,-0.2 -0.486 27.5-131.4 -64.5 128.0 -6.3 22.1 37.0 80 80 A P H > S+ 0 0 69 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.789 105.7 52.3 -54.9 -30.0 -6.8 25.8 36.8 81 81 A M H > S+ 0 0 145 2,-0.2 4,-2.1 1,-0.2 6,-0.1 0.892 109.3 47.0 -74.1 -42.1 -10.0 25.5 38.8 82 82 A H H 4>S+ 0 0 54 -3,-0.2 5,-2.7 2,-0.2 -1,-0.2 0.917 117.9 45.2 -62.9 -41.5 -8.4 23.6 41.6 83 83 A Y H ><5S+ 0 0 16 -4,-2.7 3,-1.6 3,-0.2 -2,-0.2 0.967 115.5 43.9 -66.6 -52.5 -5.5 26.1 41.6 84 84 A G H 3<5S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.816 117.6 45.1 -64.9 -33.1 -7.7 29.3 41.5 85 85 A M T 3<5S- 0 0 149 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.249 108.9-125.7 -92.9 8.3 -10.1 28.0 44.1 86 86 A M T < 5 + 0 0 34 -3,-1.6 2,-1.2 1,-0.2 -3,-0.2 0.887 42.9 172.1 50.0 53.3 -7.2 26.8 46.3 87 87 A N >< + 0 0 70 -5,-2.7 4,-1.7 1,-0.2 -1,-0.2 -0.720 8.1 170.8 -97.2 88.6 -8.6 23.2 46.6 88 88 A G H > S+ 0 0 4 -2,-1.2 4,-2.3 1,-0.2 5,-0.2 0.863 76.9 55.7 -67.1 -38.8 -5.7 21.4 48.4 89 89 A E H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.932 109.8 48.6 -58.0 -44.6 -7.7 18.2 48.9 90 90 A A H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.875 111.4 47.2 -63.8 -41.0 -8.3 18.1 45.1 91 91 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.867 110.5 52.9 -73.0 -35.3 -4.7 18.7 44.1 92 92 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.945 109.6 49.8 -61.6 -45.1 -3.6 16.0 46.6 93 93 A D H X S+ 0 0 46 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.885 107.9 53.6 -58.0 -41.6 -6.1 13.7 44.9 94 94 A H H X S+ 0 0 10 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.952 110.5 46.5 -57.6 -50.2 -4.7 14.6 41.5 95 95 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.913 111.4 50.6 -58.0 -47.7 -1.2 13.7 42.7 96 96 A L H X S+ 0 0 46 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.883 109.5 53.0 -59.4 -37.7 -2.3 10.4 44.3 97 97 A T H X S+ 0 0 3 -4,-2.4 4,-2.3 -5,-0.2 5,-0.3 0.876 107.8 49.5 -66.2 -40.5 -4.1 9.6 41.0 98 98 A L H X S+ 0 0 4 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.877 114.2 45.0 -65.6 -38.5 -0.9 10.1 39.0 99 99 A K H X S+ 0 0 55 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.922 115.8 45.5 -74.2 -41.8 1.1 7.9 41.3 100 100 A K H >< S+ 0 0 137 -4,-2.7 3,-0.7 2,-0.2 4,-0.2 0.920 114.9 46.3 -65.7 -47.9 -1.5 5.1 41.6 101 101 A G H >< S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.910 107.2 61.4 -61.4 -40.8 -2.2 5.0 37.8 102 102 A E H 3< S+ 0 0 33 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.724 108.0 40.9 -57.5 -30.7 1.6 5.1 37.2 103 103 A N T << S+ 0 0 106 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.311 84.9 156.5-100.2 6.5 2.2 1.8 39.0 104 104 A L X - 0 0 12 -3,-1.8 3,-1.5 -4,-0.2 -3,-0.1 -0.043 47.5-129.0 -44.3 119.8 -0.9 0.2 37.5 105 105 A Y T 3 S+ 0 0 134 1,-0.2 -1,-0.1 3,-0.1 -4,-0.0 0.753 99.1 62.8 -35.6 -46.3 -0.6 -3.5 37.5 106 106 A F T 3 S- 0 0 101 83,-0.1 -1,-0.2 2,-0.0 84,-0.1 0.764 126.5 -48.1 -64.4 -28.7 -1.5 -4.0 33.8 107 107 A Q < 0 0 133 -3,-1.5 83,-0.1 82,-0.2 81,-0.0 -0.132 360.0 360.0-162.0 -91.7 1.5 -2.1 32.4 108 108 A S 0 0 48 -2,-0.0 -5,-0.1 -7,-0.0 -3,-0.1 -0.244 360.0 360.0-151.2 360.0 2.9 1.3 33.3 109 !* 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 0.0 110 1 B M 0 0 29 0, 0.0 2,-0.6 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 96.8 -18.8 11.8 19.4 111 2 B N - 0 0 38 29,-0.2 47,-2.5 45,-0.1 48,-1.9 -0.814 360.0-169.3 -93.6 119.1 -20.3 10.2 22.5 112 3 B I E -de 142 159B 0 29,-2.4 31,-2.0 -2,-0.6 2,-0.5 -0.951 2.7-164.1-115.3 116.8 -17.7 8.2 24.5 113 4 B L E -de 143 160B 0 46,-2.7 48,-3.1 -2,-0.6 2,-0.3 -0.876 4.8-160.7 -99.2 130.6 -18.8 5.9 27.3 114 5 B L E -de 144 161B 1 29,-2.9 31,-2.4 -2,-0.5 2,-0.3 -0.866 17.6-125.0-108.9 146.3 -16.3 4.7 29.8 115 6 B C E -de 145 162B 2 46,-1.9 48,-2.1 -2,-0.3 51,-0.2 -0.960 55.7 -1.9-138.3 151.2 -16.8 1.6 32.0 116 7 B C E S+d 146 0B 24 29,-0.6 31,-0.5 -2,-0.3 2,-0.4 -0.875 101.9 38.0-128.4 25.5 -16.8 0.6 34.8 117 8 B S - 0 0 55 29,-0.2 28,-0.1 2,-0.1 29,-0.0 -0.988 36.7-166.5-132.8 139.4 -15.9 3.1 37.5 118 9 B A + 0 0 64 -2,-0.4 28,-0.1 4,-0.1 26,-0.0 -0.176 55.2 128.4-110.4 37.7 -16.7 6.8 38.0 119 10 B G S > S- 0 0 30 4,-0.0 4,-2.7 1,-0.0 5,-0.3 -0.013 79.4 -73.4 -78.9-172.5 -14.1 7.0 40.7 120 11 B M H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.890 127.2 43.3 -53.2 -49.6 -11.2 9.4 41.2 121 12 B S H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.959 117.1 42.3 -65.6 -54.7 -9.0 8.0 38.4 122 13 B T H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.922 112.4 55.6 -61.6 -40.4 -11.5 7.5 35.7 123 14 B S H X S+ 0 0 48 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.887 107.6 49.1 -60.8 -36.8 -13.1 10.8 36.4 124 15 B L H X S+ 0 0 27 -4,-1.7 4,-2.7 -5,-0.3 -1,-0.2 0.922 109.9 51.0 -64.6 -45.5 -9.8 12.6 36.0 125 16 B L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.924 110.0 50.7 -59.2 -41.6 -9.2 10.8 32.7 126 17 B V H X S+ 0 0 15 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.908 108.6 51.6 -61.5 -45.6 -12.7 11.9 31.6 127 18 B T H X S+ 0 0 64 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.919 112.0 46.5 -57.6 -42.8 -11.9 15.5 32.5 128 19 B K H X S+ 0 0 52 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.866 111.6 50.2 -70.1 -34.6 -8.7 15.3 30.5 129 20 B M H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.861 107.3 55.9 -69.9 -35.3 -10.5 13.7 27.5 130 21 B E H X S+ 0 0 95 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.899 109.1 45.8 -60.8 -43.8 -13.2 16.5 27.7 131 22 B A H X S+ 0 0 61 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.877 113.1 50.3 -66.6 -40.6 -10.5 19.2 27.4 132 23 B A H X S+ 0 0 2 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.934 111.6 48.5 -63.2 -43.7 -8.9 17.3 24.5 133 24 B A H <>S+ 0 0 9 -4,-2.8 5,-3.6 2,-0.2 3,-0.3 0.936 113.9 45.0 -61.8 -49.2 -12.2 17.0 22.7 134 25 B K H ><5S+ 0 0 174 -4,-2.4 3,-2.6 3,-0.2 -1,-0.2 0.935 107.1 60.9 -59.2 -47.0 -13.1 20.6 23.1 135 26 B A H 3<5S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.844 110.2 40.2 -51.8 -37.8 -9.5 21.6 22.1 136 27 B R T 3<5S- 0 0 100 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.200 119.7-109.4 -98.5 19.0 -10.1 19.9 18.7 137 28 B G T < 5 + 0 0 59 -3,-2.6 2,-0.6 1,-0.2 -3,-0.2 0.816 65.0 155.1 61.5 33.7 -13.7 21.2 18.4 138 29 B L < - 0 0 49 -5,-3.6 2,-0.3 -6,-0.2 -1,-0.2 -0.839 27.3-157.2 -96.2 122.6 -15.2 17.8 18.9 139 30 B E + 0 0 161 -2,-0.6 2,-0.2 -5,-0.0 -5,-0.0 -0.678 42.4 81.2 -97.3 153.2 -18.7 17.9 20.4 140 31 B G S S- 0 0 48 -2,-0.3 2,-0.4 -29,-0.1 -29,-0.2 -0.741 73.7 -72.6 139.8 173.6 -20.4 15.1 22.3 141 32 B K - 0 0 82 -2,-0.2 -29,-2.4 2,-0.0 2,-0.5 -0.840 28.4-164.4-110.5 147.7 -20.4 13.7 25.8 142 33 B I E +d 112 0B 10 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.996 28.2 151.6-124.3 120.8 -17.7 11.7 27.6 143 34 B W E -d 113 0B 30 -31,-2.0 -29,-2.9 -2,-0.5 2,-0.4 -0.997 35.4-131.9-157.0 153.4 -18.8 10.0 30.7 144 35 B A E +d 114 0B 18 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.900 24.5 172.4-111.1 135.4 -18.2 7.0 33.0 145 36 B V E -d 115 0B 19 -31,-2.4 -29,-0.6 -2,-0.4 2,-0.1 -0.881 33.7 -98.3-134.1 168.7 -20.7 4.5 34.4 146 37 B S E > -d 116 0B 63 -2,-0.3 3,-2.1 -31,-0.2 4,-0.5 -0.423 41.6-104.4 -80.5 159.4 -20.7 1.3 36.4 147 38 B G G > S+ 0 0 27 -31,-0.5 3,-1.2 1,-0.3 4,-0.5 0.850 120.8 58.9 -53.6 -39.4 -21.1 -2.1 34.6 148 39 B D G 3 S+ 0 0 137 1,-0.2 -1,-0.3 -32,-0.1 4,-0.2 0.630 106.5 50.6 -68.7 -10.1 -24.7 -2.4 35.8 149 40 B A G < S+ 0 0 22 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.447 84.1 87.7-103.9 -5.5 -25.4 0.8 33.9 150 41 B V S X> S+ 0 0 3 -3,-1.2 4,-2.1 -4,-0.5 3,-1.9 0.939 82.5 57.0 -63.1 -43.7 -23.9 -0.1 30.6 151 42 B K T 34 S+ 0 0 125 -4,-0.5 4,-0.4 1,-0.3 -1,-0.2 0.917 111.3 44.0 -53.6 -44.8 -27.1 -1.7 29.1 152 43 B T T 34 S+ 0 0 108 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.261 120.2 39.2 -86.8 10.5 -29.1 1.5 29.7 153 44 B N T X> S+ 0 0 30 -3,-1.9 3,-0.9 -4,-0.2 4,-0.8 0.458 91.6 83.1-127.5 -16.2 -26.4 4.0 28.4 154 45 B I T 3< S+ 0 0 2 -4,-2.1 3,-0.3 1,-0.2 -2,-0.1 0.796 81.9 64.3 -67.0 -25.8 -24.9 2.1 25.4 155 46 B D T 34 S+ 0 0 132 -4,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.865 106.0 46.7 -62.6 -32.3 -27.7 3.3 23.0 156 47 B Q T <4 S+ 0 0 89 -3,-0.9 -1,-0.2 2,-0.0 -2,-0.2 0.695 99.5 89.4 -81.9 -20.1 -26.4 6.8 23.6 157 48 B A < - 0 0 5 -4,-0.8 -45,-0.2 -3,-0.3 3,-0.1 -0.531 48.8-171.9 -87.0 145.9 -22.7 5.9 23.0 158 49 B D S S+ 0 0 61 -47,-2.5 25,-1.9 1,-0.4 2,-0.3 0.696 84.8 21.3 -95.6 -34.0 -20.8 5.9 19.8 159 50 B V E -ef 112 183B 0 -48,-1.9 -46,-2.7 23,-0.2 2,-0.5 -0.986 66.0-155.7-136.9 145.0 -17.8 4.3 21.4 160 51 B L E -ef 113 184B 0 23,-2.9 25,-1.6 -2,-0.3 2,-0.4 -0.992 12.8-170.8-122.1 122.9 -17.4 2.2 24.6 161 52 B L E -ef 114 185B 0 -48,-3.1 -46,-1.9 -2,-0.5 2,-0.3 -0.958 8.7-149.6-116.8 135.8 -14.0 2.1 26.3 162 53 B L E -ef 115 186B 0 23,-2.1 25,-3.3 -2,-0.4 -46,-0.2 -0.800 20.3-116.5-104.9 139.8 -13.1 -0.2 29.2 163 54 B G > - 0 0 8 -48,-2.1 3,-1.9 -2,-0.3 -1,-0.0 -0.336 32.1-111.6 -68.0 155.5 -10.6 0.6 31.9 164 55 B P G > S+ 0 0 4 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.864 118.4 61.7 -58.6 -31.3 -7.6 -1.8 31.9 165 56 B Q G 3 S+ 0 0 127 1,-0.3 3,-0.2 2,-0.1 -49,-0.1 0.662 104.4 49.2 -66.9 -17.1 -8.9 -3.2 35.2 166 57 B V G X + 0 0 16 -3,-1.9 3,-1.9 -51,-0.2 -1,-0.3 0.022 67.1 121.9-113.4 31.2 -12.0 -4.4 33.5 167 58 B R G X + 0 0 122 -3,-1.5 3,-2.5 1,-0.3 4,-0.4 0.870 66.7 70.1 -55.9 -34.3 -10.5 -6.1 30.4 168 59 B Y G 3 S+ 0 0 166 1,-0.3 4,-0.4 -3,-0.2 -1,-0.3 0.676 92.1 59.5 -59.1 -18.2 -12.3 -9.3 31.5 169 60 B M G <> S+ 0 0 36 -3,-1.9 4,-2.9 1,-0.2 -1,-0.3 0.564 78.2 90.9 -85.0 -10.4 -15.6 -7.6 30.5 170 61 B L H <> S+ 0 0 19 -3,-2.5 4,-2.8 -4,-0.3 5,-0.2 0.927 82.6 54.9 -54.2 -49.9 -14.5 -7.1 26.9 171 62 B S H > S+ 0 0 91 -4,-0.4 4,-1.6 1,-0.2 3,-0.3 0.935 115.4 36.9 -42.4 -64.9 -16.0 -10.5 25.8 172 63 B S H > S+ 0 0 80 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.836 115.1 54.4 -62.6 -39.9 -19.5 -9.7 27.2 173 64 B M H X S+ 0 0 9 -4,-2.9 4,-3.2 2,-0.2 -1,-0.2 0.863 104.0 55.6 -65.1 -38.6 -19.4 -6.0 26.2 174 65 B K H X S+ 0 0 89 -4,-2.8 4,-3.0 -3,-0.3 5,-0.5 0.967 100.8 58.0 -55.9 -55.4 -18.6 -6.8 22.6 175 66 B T H X S+ 0 0 96 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.900 116.3 37.2 -34.2 -55.9 -21.7 -9.0 22.3 176 67 B L H X S+ 0 0 33 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.883 119.0 46.5 -68.3 -46.2 -23.6 -5.9 23.3 177 68 B A H >X>S+ 0 0 0 -4,-3.2 5,-2.0 2,-0.2 3,-1.0 0.943 108.1 53.8 -67.8 -50.4 -21.6 -3.3 21.4 178 69 B D H ><5S+ 0 0 50 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.931 109.3 49.3 -51.2 -49.1 -21.3 -5.1 18.0 179 70 B E H 3<5S+ 0 0 146 -4,-1.3 -1,-0.3 -5,-0.5 -2,-0.2 0.689 114.1 46.1 -64.9 -22.1 -25.2 -5.5 17.9 180 71 B R H <<5S- 0 0 108 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.340 113.7-116.3 -99.0 3.0 -25.7 -1.8 18.7 181 72 B N T <<5 + 0 0 76 -3,-1.5 2,-0.4 -4,-0.6 -3,-0.2 0.955 67.2 143.8 59.4 48.0 -23.1 -0.6 16.2 182 73 B V < - 0 0 3 -5,-2.0 -1,-0.2 -8,-0.2 -23,-0.2 -0.988 51.0-125.1-119.3 130.3 -20.9 0.8 19.0 183 74 B G E -f 159 0B 2 -25,-1.9 -23,-2.9 -2,-0.4 2,-0.3 -0.473 34.3-172.2 -72.4 143.5 -17.1 0.6 18.7 184 75 B I E +f 160 0B 14 -25,-0.2 2,-0.3 -2,-0.1 -23,-0.2 -0.998 17.5 136.0-144.2 143.3 -15.5 -1.1 21.7 185 76 B D E -f 161 0B 50 -25,-1.6 -23,-2.1 -2,-0.3 2,-0.4 -0.968 48.2 -92.5-167.3 172.9 -12.0 -1.7 23.1 186 77 B V E -f 162 0B 7 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.1 -0.822 47.1-106.4 -97.0 141.1 -9.9 -1.6 26.3 187 78 B I - 0 0 3 -25,-3.3 -20,-0.0 -2,-0.4 13,-0.0 -0.351 40.4-100.0 -66.3 141.9 -8.0 1.5 27.1 188 79 B N > - 0 0 63 1,-0.2 4,-2.4 11,-0.1 3,-0.3 -0.488 28.0-138.3 -65.9 123.8 -4.2 1.3 26.6 189 80 B P H > S+ 0 0 32 0, 0.0 4,-2.5 0, 0.0 -82,-0.2 0.829 102.6 52.5 -55.9 -33.6 -2.7 0.7 30.1 190 81 B M H > S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 6,-0.1 0.881 110.3 48.2 -68.2 -39.9 0.1 3.1 29.4 191 82 B H H 4>S+ 0 0 46 -3,-0.3 5,-2.5 2,-0.2 4,-0.2 0.912 114.2 44.9 -65.5 -44.4 -2.3 5.9 28.4 192 83 B Y H ><5S+ 0 0 24 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.959 111.6 55.8 -61.4 -48.2 -4.5 5.3 31.5 193 84 B G H 3<5S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.796 114.4 36.6 -53.5 -40.4 -1.3 5.2 33.6 194 85 B M T 3<5S- 0 0 70 -4,-1.8 -1,-0.3 -93,-0.1 -2,-0.2 0.248 108.3-122.2 -99.0 10.9 -0.1 8.6 32.5 195 86 B M T < 5 + 0 0 0 -3,-1.9 2,-1.3 -4,-0.2 -3,-0.2 0.888 46.9 171.0 48.7 48.3 -3.6 10.1 32.4 196 87 B N >< + 0 0 55 -5,-2.5 4,-1.8 1,-0.2 -1,-0.2 -0.712 11.4 174.2 -93.1 87.5 -3.2 11.0 28.7 197 88 B G H > S+ 0 0 3 -2,-1.3 4,-2.5 1,-0.2 5,-0.2 0.822 76.4 59.8 -60.9 -36.8 -6.6 12.1 27.7 198 89 B E H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.954 107.8 43.7 -56.7 -51.5 -5.4 13.1 24.3 199 90 B A H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.868 113.7 50.2 -63.8 -38.6 -4.2 9.6 23.4 200 91 B V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.920 109.8 50.8 -69.3 -40.7 -7.3 7.9 24.7 201 92 B L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.908 108.8 52.5 -58.4 -43.3 -9.5 10.3 22.7 202 93 B D H X S+ 0 0 81 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.925 109.5 49.8 -57.1 -45.0 -7.3 9.4 19.6 203 94 B H H X S+ 0 0 36 -4,-2.3 4,-1.5 1,-0.2 3,-0.3 0.941 108.3 52.8 -58.3 -49.5 -8.0 5.8 20.3 204 95 B A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.4 0.909 104.7 55.3 -54.6 -44.3 -11.8 6.4 20.7 205 96 B L H X S+ 0 0 52 -4,-2.2 4,-1.5 1,-0.3 -1,-0.2 0.889 105.5 50.8 -61.2 -37.7 -11.9 8.1 17.3 206 97 B T H X S+ 0 0 85 -4,-1.5 4,-1.3 -3,-0.3 -1,-0.3 0.809 110.7 51.0 -69.7 -28.7 -10.4 5.1 15.5 207 98 B L H X S+ 0 0 24 -4,-1.5 4,-2.2 -3,-0.4 5,-0.3 0.811 100.9 62.3 -75.2 -32.0 -13.0 2.9 17.3 208 99 B K H X S+ 0 0 73 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.966 110.3 38.4 -57.3 -55.1 -15.9 5.2 16.2 209 100 B K H X S+ 0 0 131 -4,-1.5 4,-3.8 3,-0.2 -1,-0.2 0.839 109.5 67.6 -64.1 -34.5 -15.2 4.5 12.5 210 101 B G H < S+ 0 0 42 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.959 116.2 22.0 -49.0 -65.5 -14.4 0.9 13.5 211 102 B E H < S+ 0 0 30 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.504 118.6 65.0 -85.7 -4.0 -18.0 -0.1 14.5 212 103 B N H < S+ 0 0 98 -4,-1.2 2,-2.7 -5,-0.3 -2,-0.2 0.907 92.3 65.5 -74.5 -47.8 -19.4 2.8 12.4 213 104 B L S < S+ 0 0 145 -4,-3.8 -1,-0.2 -5,-0.1 3,-0.1 -0.463 82.4 95.0 -70.0 73.8 -17.9 0.8 9.4 214 105 B Y S S+ 0 0 98 -2,-2.7 -1,-0.1 1,-0.2 -3,-0.0 -0.426 76.4 29.9-169.6 77.9 -20.5 -1.9 10.1 215 106 B F 0 0 159 -2,-0.0 -1,-0.2 -34,-0.0 0, 0.0 0.798 360.0 360.0 85.0 105.9 -23.7 -1.7 8.0 216 107 B Q 0 0 234 -3,-0.1 -3,-0.1 0, 0.0 -4,-0.0 -0.125 360.0 360.0-161.0 360.0 -23.8 -0.5 5.3