==== 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 TRANSFERASE 29-JAN-09 2ZYT . COMPND 2 MOLECULE: TYROSINE-ESTER SULFOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR T.TERAMOTO,Y.SAKAKIBARA,M.-C.LIU,M.SUIKO,M.KIMURA,Y.KAKUTA . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 3 0 0 0 3 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 4 X K 0 0 255 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.7 28.1 28.9 -5.8 2 5 X L - 0 0 118 1,-0.1 2,-0.7 2,-0.0 0, 0.0 -0.404 360.0-159.8 -59.8 117.3 29.1 25.2 -5.9 3 6 X D - 0 0 101 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.915 12.6-179.9-100.7 113.2 26.1 23.1 -4.8 4 7 X V + 0 0 15 -2,-0.7 3,-0.4 80,-0.1 2,-0.2 0.595 55.1 83.7 -86.9 -11.6 27.4 19.7 -3.7 5 8 X F S S+ 0 0 30 1,-0.2 140,-0.3 142,-0.0 141,-0.1 -0.541 84.6 15.5-100.1 156.6 23.9 18.4 -2.9 6 9 X R S S+ 0 0 59 138,-2.8 142,-0.4 140,-0.4 -1,-0.2 0.680 82.8 148.4 62.0 23.2 21.0 16.7 -4.9 7 10 X R - 0 0 81 138,-0.4 -1,-0.2 -3,-0.4 2,-0.1 -0.408 54.9 -94.5 -82.2 162.6 23.2 16.0 -7.9 8 11 X E - 0 0 153 1,-0.1 11,-0.3 -2,-0.1 -1,-0.1 -0.482 49.1-102.8 -67.7 147.6 22.8 13.0 -10.3 9 12 X L - 0 0 36 -2,-0.1 2,-0.4 9,-0.1 9,-0.2 -0.295 28.0-139.0 -68.9 156.6 25.0 10.0 -9.4 10 13 X V E -A 17 0A 66 7,-3.2 7,-2.0 5,-0.1 2,-0.2 -0.986 19.5-121.9-121.9 127.3 28.1 9.3 -11.4 11 14 X D E -A 16 0A 92 -2,-0.4 2,-0.5 5,-0.2 7,-0.0 -0.456 19.3-168.7 -72.5 134.6 29.0 5.7 -12.3 12 15 X V E > S-A 15 0A 11 3,-2.4 3,-2.2 -2,-0.2 10,-0.0 -0.990 85.3 -23.2-116.0 114.2 32.3 4.1 -11.3 13 16 X E T 3 S- 0 0 165 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.859 131.6 -47.3 49.5 38.1 32.7 0.8 -13.2 14 17 X G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 153,-0.0 -3,-0.1 0.371 115.5 116.0 91.1 -4.2 28.9 0.8 -13.7 15 18 X I E < -A 12 0A 13 -3,-2.2 -3,-2.4 152,-0.1 2,-0.3 -0.882 66.7-127.5-102.4 119.0 28.0 1.6 -10.0 16 19 X P E +A 11 0A 3 0, 0.0 150,-3.0 0, 0.0 151,-0.4 -0.496 40.3 167.3 -67.6 124.1 26.2 4.8 -9.4 17 20 X L E -A 10 0A 0 -7,-2.0 -7,-3.2 -2,-0.3 148,-0.0 -0.890 45.2 -75.4-131.1 163.0 28.1 6.8 -6.7 18 21 X F >> - 0 0 10 -2,-0.3 4,-2.2 -9,-0.2 3,-1.1 -0.324 46.8-117.9 -57.3 142.1 28.0 10.3 -5.4 19 22 X W H 3> S+ 0 0 30 -11,-0.3 4,-2.3 1,-0.3 -1,-0.1 0.823 114.0 53.2 -52.6 -36.3 29.7 12.7 -7.8 20 23 X S H 3> S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.759 107.3 50.3 -79.2 -23.6 32.4 13.7 -5.3 21 24 X I H <4 S+ 0 0 0 -3,-1.1 3,-0.2 2,-0.2 7,-0.2 0.916 111.2 49.0 -72.1 -47.0 33.3 10.0 -4.6 22 25 X A H >< S+ 0 0 22 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.916 108.9 54.2 -57.4 -43.1 33.6 9.4 -8.4 23 26 X E H 3< S+ 0 0 117 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.847 115.7 38.3 -57.8 -38.5 35.8 12.6 -8.6 24 27 X H T >X S+ 0 0 63 -4,-1.0 4,-1.2 -3,-0.2 3,-1.0 0.037 77.9 126.7-102.2 26.4 38.1 11.2 -5.9 25 28 X W H X> + 0 0 33 -3,-1.6 4,-3.2 1,-0.3 3,-0.5 0.852 66.3 60.0 -57.6 -38.3 38.1 7.6 -7.0 26 29 X S H 3> S+ 0 0 91 -3,-0.3 4,-2.0 1,-0.3 -1,-0.3 0.877 103.7 52.8 -58.7 -36.5 41.9 7.3 -7.2 27 30 X Q H <4 S+ 0 0 41 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.826 113.6 42.6 -64.5 -36.1 42.1 8.1 -3.5 28 31 X V H X< S+ 0 0 0 -4,-1.2 3,-2.1 -3,-0.5 -2,-0.2 0.943 113.1 51.1 -76.3 -49.8 39.6 5.4 -2.6 29 32 X E H 3< S+ 0 0 120 -4,-3.2 84,-0.4 1,-0.3 85,-0.3 0.858 112.6 46.6 -55.9 -38.4 41.0 2.8 -4.9 30 33 X S T 3< S+ 0 0 82 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.276 82.1 148.3 -89.8 11.4 44.5 3.3 -3.5 31 34 X F < - 0 0 4 -3,-2.1 2,-0.8 1,-0.1 83,-0.4 -0.180 45.3-134.2 -51.0 133.4 43.4 3.2 0.1 32 35 X E - 0 0 151 58,-0.1 -1,-0.1 82,-0.1 2,-0.1 -0.828 24.2-168.6 -95.3 107.6 46.0 1.8 2.4 33 36 X A - 0 0 11 -2,-0.8 82,-0.0 4,-0.0 80,-0.0 -0.371 10.8-137.4 -84.1 169.6 44.4 -0.7 4.8 34 37 X R > - 0 0 67 -2,-0.1 3,-2.0 66,-0.1 84,-0.1 -0.950 23.4-111.4-128.8 149.5 46.2 -2.2 7.8 35 38 X P T 3 S+ 0 0 84 0, 0.0 86,-0.3 0, 0.0 -1,-0.0 0.782 116.3 45.0 -51.7 -31.0 46.3 -5.8 9.1 36 39 X D T 3 S+ 0 0 80 84,-0.1 2,-0.1 2,-0.1 83,-0.0 0.371 81.8 122.1-102.4 7.6 44.2 -5.0 12.2 37 40 X D < - 0 0 1 -3,-2.0 84,-0.8 62,-0.1 2,-0.5 -0.407 52.7-148.0 -58.4 140.4 41.6 -2.8 10.5 38 41 X I E -bc 101 121B 9 62,-2.5 64,-2.8 82,-0.1 2,-0.5 -0.986 12.8-152.4-111.0 123.3 38.1 -4.1 11.1 39 42 X L E -bc 102 122B 0 82,-2.3 84,-3.4 -2,-0.5 2,-0.7 -0.874 7.7-159.0-100.7 124.5 35.9 -3.3 8.1 40 43 X I E -bc 103 123B 0 62,-3.5 64,-2.3 -2,-0.5 2,-0.4 -0.922 21.4-175.5 -97.6 113.8 32.1 -2.9 8.6 41 44 X S E +bc 104 124B 0 82,-2.8 84,-1.9 -2,-0.7 2,-0.3 -0.948 12.0 147.3-121.1 129.1 30.7 -3.5 5.1 42 45 X T E - c 0 125B 0 62,-1.8 84,-0.1 -2,-0.4 3,-0.1 -0.995 50.1-109.2-152.5 154.2 27.0 -3.2 4.2 43 46 X Y S > S- 0 0 0 82,-0.7 3,-1.0 -2,-0.3 5,-0.2 -0.679 71.2 -76.7 -73.2 143.6 24.6 -2.2 1.5 44 47 X P T 3 S+ 0 0 3 0, 0.0 92,-0.1 0, 0.0 -1,-0.1 -0.113 115.8 16.3 -47.1 138.7 23.0 1.1 2.6 45 48 X K T 3 S+ 0 0 26 90,-0.1 90,-0.1 -3,-0.1 91,-0.1 0.654 89.9 115.5 77.8 23.8 20.4 0.9 5.4 46 49 X S S < S- 0 0 0 -3,-1.0 144,-0.2 79,-0.1 82,-0.1 0.418 99.6 -68.5-106.3 0.0 21.3 -2.6 6.4 47 50 X G S > S+ 0 0 9 -4,-0.1 4,-2.4 78,-0.1 5,-0.2 0.562 82.7 140.2 121.5 21.3 22.5 -2.0 10.0 48 51 X T H > S+ 0 0 8 1,-0.2 4,-2.3 -5,-0.2 5,-0.1 0.923 77.0 42.2 -59.2 -50.5 25.8 -0.1 9.5 49 52 X T H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 112.9 55.1 -67.8 -40.6 25.4 2.3 12.4 50 53 X W H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.956 114.2 38.6 -55.3 -54.8 24.1 -0.4 14.7 51 54 X V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.838 113.8 56.3 -71.0 -33.1 27.1 -2.6 14.2 52 55 X S H X S+ 0 0 4 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.909 109.7 45.7 -60.6 -45.5 29.5 0.4 14.2 53 56 X E H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.903 111.6 53.0 -65.4 -41.5 28.2 1.4 17.6 54 57 X I H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.929 111.4 46.1 -57.4 -48.6 28.5 -2.2 18.8 55 58 X L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.908 111.6 49.5 -63.3 -43.7 32.1 -2.4 17.7 56 59 X D H X S+ 0 0 5 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.888 111.6 51.0 -65.4 -35.2 33.1 0.9 19.2 57 60 X L H <>S+ 0 0 0 -4,-2.3 5,-3.3 2,-0.2 6,-0.4 0.913 110.7 47.8 -63.6 -46.5 31.5 -0.2 22.5 58 61 X I H ><5S+ 0 0 7 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.931 111.4 50.9 -57.9 -47.4 33.4 -3.5 22.4 59 62 X Y H 3<5S+ 0 0 58 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.764 114.2 44.2 -63.3 -26.3 36.6 -1.6 21.7 60 63 X N T ><5S- 0 0 36 -4,-1.2 3,-1.9 -3,-0.2 -1,-0.3 0.104 115.4-114.6-106.4 20.7 35.9 0.7 24.6 61 64 X N T < 5S- 0 0 86 -3,-1.7 -3,-0.2 1,-0.3 3,-0.1 0.831 73.1 -53.3 48.0 44.4 34.9 -2.1 26.9 62 65 X G T 3 - 0 0 54 -3,-1.9 4,-1.7 -6,-0.4 3,-0.2 -0.601 23.6-172.6 -75.9 94.9 32.3 2.6 28.3 64 67 X A T 4 S+ 0 0 14 -2,-1.3 4,-0.2 1,-0.2 -1,-0.2 0.808 82.5 54.8 -56.9 -35.5 29.3 4.7 27.0 65 68 X E T >4 S+ 0 0 133 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.912 106.0 50.0 -68.2 -42.2 31.0 7.9 27.9 66 69 X K G >4 S+ 0 0 115 1,-0.3 3,-1.5 -3,-0.2 -2,-0.2 0.848 106.1 57.9 -62.9 -33.0 34.1 7.1 25.8 67 70 X C G 3< S+ 0 0 1 -4,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.534 99.0 60.1 -76.7 -5.4 31.8 6.3 22.9 68 71 X K G < S+ 0 0 85 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.226 70.5 105.7 -99.3 12.7 30.4 9.8 23.2 69 72 X R S < S- 0 0 126 -3,-1.5 2,-0.3 1,-0.1 -1,-0.2 0.791 96.7 -15.7 -61.1 -28.3 33.9 11.3 22.5 70 73 X D S S- 0 0 82 -3,-0.3 -1,-0.1 -4,-0.2 5,-0.0 -0.969 89.7 -64.5-164.1 170.9 32.6 12.2 19.0 71 74 X A >> - 0 0 5 -2,-0.3 4,-2.3 1,-0.1 3,-2.1 -0.281 51.7-111.2 -62.2 150.3 29.8 11.5 16.4 72 75 X I H 3> S+ 0 0 2 162,-1.7 4,-2.8 1,-0.3 -1,-0.1 0.826 117.9 58.1 -54.6 -33.6 29.6 7.9 15.1 73 76 X Y H 34 S+ 0 0 42 1,-0.2 5,-0.5 2,-0.2 -1,-0.3 0.557 110.4 42.7 -80.3 -9.2 30.8 9.1 11.7 74 77 X K H <4 S+ 0 0 86 -3,-2.1 -2,-0.2 3,-0.1 -1,-0.2 0.729 116.4 47.9 -94.7 -37.6 34.0 10.5 13.2 75 78 X R H < S+ 0 0 9 -4,-2.3 26,-0.4 1,-0.3 -2,-0.2 0.865 127.6 25.4 -67.8 -39.3 34.5 7.5 15.4 76 79 X V S < S- 0 0 2 -4,-2.8 -1,-0.3 -5,-0.2 26,-0.2 -0.848 94.4-142.7-128.5 86.6 34.0 5.0 12.6 77 80 X P - 0 0 0 0, 0.0 26,-2.9 0, 0.0 2,-1.1 -0.258 12.0-127.2 -61.1 139.0 34.8 6.9 9.3 78 81 X F B > -d 103 0B 29 -5,-0.5 3,-1.0 1,-0.2 11,-0.3 -0.762 31.0-154.4 -78.5 96.0 32.8 6.3 6.2 79 82 X M T 3 S+ 0 0 0 24,-2.4 11,-0.5 -2,-1.1 -1,-0.2 0.863 81.4 35.7 -49.3 -57.9 35.8 5.5 4.0 80 83 X E T 3 S+ 0 0 0 23,-0.3 2,-0.8 9,-0.2 -1,-0.3 0.600 87.5 110.0 -80.0 -10.9 34.7 6.3 0.5 81 84 X L < + 0 0 18 -3,-1.0 8,-2.4 7,-0.1 2,-0.4 -0.561 39.9 161.9 -73.2 109.3 32.6 9.3 1.5 82 85 X I E +F 88 0C 2 -2,-0.8 6,-0.2 6,-0.2 -58,-0.1 -0.999 10.4 170.5-129.8 124.0 34.4 12.4 0.2 83 86 X I E >> -F 87 0C 1 4,-2.7 3,-2.4 -2,-0.4 4,-2.3 -0.974 40.4-111.4-134.6 120.2 32.6 15.8 -0.3 84 87 X P T 34 S+ 0 0 53 0, 0.0 -80,-0.1 0, 0.0 4,-0.1 -0.238 99.5 4.9 -60.4 133.5 34.8 18.8 -1.0 85 88 X G T 34 S+ 0 0 92 1,-0.1 3,-0.1 2,-0.0 0, 0.0 0.369 132.4 58.1 80.0 -4.1 34.9 21.3 1.8 86 89 X I T <4 S- 0 0 56 -3,-2.4 2,-0.3 1,-0.3 -1,-0.1 0.743 108.0 -15.2-123.0 -55.6 32.9 19.0 4.0 87 90 X T E < -F 83 0C 33 -4,-2.3 -4,-2.7 4,-0.0 -1,-0.3 -0.995 34.6-168.1-154.9 157.1 34.4 15.5 4.6 88 91 X N E > -F 82 0C 31 -2,-0.3 4,-2.3 -6,-0.2 -6,-0.2 -0.739 5.2-169.5-149.8 99.9 37.0 13.0 3.4 89 92 X G H > S+ 0 0 0 -8,-2.4 4,-2.1 -11,-0.3 -9,-0.2 0.852 88.9 51.8 -57.9 -39.2 36.8 9.5 4.8 90 93 X V H > S+ 0 0 4 -11,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.926 110.6 47.5 -65.4 -46.5 40.2 8.4 3.4 91 94 X E H > S+ 0 0 90 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.909 111.3 51.8 -60.4 -44.2 42.0 11.4 5.0 92 95 X M H < S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.910 114.3 43.4 -57.2 -45.0 40.3 10.8 8.3 93 96 X L H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.881 106.1 60.4 -69.9 -40.3 41.4 7.2 8.3 94 97 X N H 3< S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 111.3 42.3 -54.3 -33.3 44.9 7.9 7.1 95 98 X N T 3< S+ 0 0 131 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.289 94.1 102.2-101.1 7.8 45.4 10.0 10.3 96 99 X M S < S- 0 0 43 -3,-1.7 4,-0.1 -5,-0.1 2,-0.1 -0.776 70.6-123.5 -97.4 133.3 43.7 7.6 12.7 97 100 X P - 0 0 106 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.410 47.1 -68.2 -72.2 150.6 45.7 5.3 15.0 98 101 X S S S+ 0 0 50 1,-0.1 -61,-0.1 2,-0.1 3,-0.0 -0.442 106.6 60.3 -71.4 154.2 45.1 1.6 14.9 99 102 X P S S- 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.328 78.2-172.8 -82.3 126.9 43.0 -0.4 15.6 100 103 X R - 0 0 2 -4,-0.1 -62,-2.5 -24,-0.0 2,-0.5 -0.653 19.8-151.6 -89.9 140.3 40.7 1.3 13.1 101 104 X I E -b 38 0B 7 -26,-0.4 2,-0.4 -2,-0.3 -62,-0.2 -0.964 23.3-164.4-105.0 124.7 37.1 0.5 12.6 102 105 X V E -b 39 0B 0 -64,-2.8 -62,-3.5 -2,-0.5 2,-0.4 -0.932 10.6-151.8-119.8 131.8 36.2 1.4 9.0 103 106 X K E +bd 40 78B 17 -26,-2.9 -24,-2.4 -2,-0.4 -23,-0.3 -0.853 23.2 163.0-100.0 136.1 32.7 1.8 7.3 104 107 X T E -b 41 0B 0 -64,-2.3 -62,-1.8 -2,-0.4 7,-0.0 -0.994 32.2-170.6-144.2 152.9 32.1 1.1 3.7 105 108 X H + 0 0 11 -2,-0.3 -64,-0.1 -64,-0.2 -1,-0.1 0.143 48.9 133.1-116.1 15.1 29.1 0.4 1.4 106 109 X L - 0 0 0 -63,-0.1 5,-0.1 1,-0.1 2,-0.1 -0.410 59.0-119.1 -70.8 140.3 31.3 -0.6 -1.6 107 110 X P >> - 0 0 5 0, 0.0 3,-2.3 0, 0.0 4,-0.8 -0.381 37.6 -98.4 -67.6 159.3 30.3 -3.7 -3.5 108 111 X V G >4 S+ 0 0 20 1,-0.3 3,-1.0 64,-0.3 -2,-0.1 0.831 121.9 55.2 -48.0 -45.9 33.0 -6.4 -3.5 109 112 X Q G 34 S+ 0 0 112 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.571 111.5 44.7 -71.1 -10.5 34.4 -5.5 -6.9 110 113 X L G <4 S+ 0 0 13 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.467 81.1 118.7-107.4 -6.0 35.0 -1.9 -5.9 111 114 X L S << S- 0 0 10 -3,-1.0 5,-0.1 -4,-0.8 -82,-0.0 -0.403 81.5 -98.3 -63.0 132.7 36.6 -2.5 -2.4 112 115 X P > - 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0 0 27 0, 0.0 4,-1.9 0, 0.0 5,-0.1 -0.379 47.8-148.8 -69.1 132.0 21.9 -3.0 -7.0 169 172 X W H > S+ 0 0 0 -10,-0.4 4,-2.7 2,-0.2 5,-0.3 0.890 97.6 60.0 -57.0 -41.5 21.1 -4.5 -3.6 170 173 X Y H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.942 109.6 38.5 -57.9 -55.4 20.9 -8.0 -5.3 171 174 X D H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.887 114.5 57.8 -62.3 -40.0 24.4 -8.0 -6.7 172 175 X H H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 -64,-0.3 0.954 112.9 35.3 -58.6 -55.9 25.8 -6.4 -3.5 173 176 X V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.887 118.4 51.9 -70.0 -37.6 24.5 -9.0 -1.0 174 177 X K H X S+ 0 0 57 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.920 110.8 45.8 -65.8 -45.6 25.1 -12.0 -3.4 175 178 X S H X S+ 0 0 48 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.881 113.2 49.2 -70.1 -37.2 28.7 -11.2 -4.3 176 179 X W H < S+ 0 0 0 -4,-1.7 4,-0.5 -5,-0.3 -1,-0.2 0.900 111.6 51.0 -64.1 -38.7 29.6 -10.5 -0.7 177 180 X W H >< S+ 0 0 34 -4,-2.0 3,-1.3 1,-0.2 4,-0.2 0.927 108.8 50.3 -60.9 -47.0 28.0 -13.8 0.2 178 181 X E H 3< S+ 0 0 115 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.757 110.9 50.6 -64.5 -25.5 30.0 -15.7 -2.5 179 182 X K T >X S+ 0 0 50 -4,-1.3 4,-1.3 1,-0.2 3,-0.9 0.544 82.7 98.0 -85.1 -10.1 33.2 -14.1 -1.1 180 183 X R T <4>S+ 0 0 58 -3,-1.3 5,-0.8 -4,-0.5 -1,-0.2 0.686 85.0 41.8 -64.3 -24.9 32.5 -15.1 2.5 181 184 X K T 345S+ 0 0 174 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.695 106.7 62.8 -92.7 -20.6 34.7 -18.3 2.5 182 185 X E T <45S+ 0 0 116 -3,-0.9 2,-0.2 -4,-0.2 -2,-0.2 0.822 113.7 22.4 -71.0 -35.5 37.6 -16.7 0.6 183 186 X Y T <5S- 0 0 72 -4,-1.3 2,-2.0 -61,-0.0 -62,-0.1 -0.700 100.1 -79.0-128.3 177.5 38.3 -14.1 3.2 184 187 X R T 5 + 0 0 94 -64,-0.4 -62,-2.7 -2,-0.2 2,-0.5 -0.576 69.9 154.7 -82.8 80.4 37.8 -13.5 6.9 185 188 X I E < -e 122 0B 20 -2,-2.0 2,-0.7 -5,-0.8 -62,-0.2 -0.942 36.1-160.0-116.8 127.0 34.2 -12.4 6.6 186 189 X L E -e 123 0B 28 -64,-2.8 -62,-2.6 -2,-0.5 2,-0.8 -0.944 17.9-156.6-101.2 113.8 31.5 -12.6 9.3 187 190 X Y E +e 124 0B 22 -2,-0.7 2,-0.2 -64,-0.2 -62,-0.2 -0.836 18.4 179.0-104.5 107.3 28.2 -12.4 7.4 188 191 X L E -e 125 0B 0 -64,-3.4 -62,-2.5 -2,-0.8 2,-0.4 -0.650 20.8-138.2-108.4 160.5 25.4 -11.2 9.6 189 192 X F E > -e 126 0B 27 -2,-0.2 4,-1.8 -64,-0.2 3,-0.5 -0.978 11.4-141.7-122.9 133.2 21.7 -10.4 9.2 190 193 X Y H > S+ 0 0 15 -64,-3.0 4,-1.8 -2,-0.4 -63,-0.2 0.890 104.8 57.0 -54.6 -42.8 19.8 -7.5 10.5 191 194 X E H > S+ 0 0 7 -65,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.848 105.0 50.8 -62.8 -34.7 16.8 -9.7 11.3 192 195 X D H > S+ 0 0 40 -3,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.891 108.8 51.5 -66.9 -41.0 19.0 -12.0 13.4 193 196 X M H < S+ 0 0 2 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.815 110.7 49.9 -64.7 -31.8 20.2 -9.0 15.4 194 197 X K H < S+ 0 0 86 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.909 115.8 41.4 -69.3 -44.0 16.6 -8.0 15.9 195 198 X E H < S+ 0 0 134 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.884 137.9 4.3 -74.5 -42.7 15.6 -11.4 17.1 196 199 X N X + 0 0 78 -4,-3.0 4,-1.8 -5,-0.1 3,-0.3 -0.590 61.3 171.7-146.0 77.8 18.5 -12.2 19.3 197 200 X P H > S+ 0 0 50 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.837 81.9 57.9 -61.3 -30.6 21.1 -9.4 19.7 198 201 X K H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.924 105.8 48.7 -62.7 -44.5 23.0 -11.3 22.4 199 202 X C H > S+ 0 0 47 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.924 114.2 46.7 -58.6 -44.6 23.6 -14.2 20.1 200 203 X E H X S+ 0 0 9 -4,-1.8 4,-1.9 -8,-0.2 -2,-0.2 0.900 110.8 49.6 -70.1 -42.2 24.8 -11.9 17.3 201 204 X I H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.848 108.8 54.9 -64.2 -34.2 27.1 -9.9 19.5 202 205 X Q H X S+ 0 0 92 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.895 106.0 51.4 -64.6 -40.3 28.5 -13.1 20.9 203 206 X K H X S+ 0 0 81 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.895 109.8 50.7 -58.5 -42.8 29.3 -14.1 17.3 204 207 X I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.936 110.0 48.8 -62.8 -47.4 31.0 -10.8 16.8 205 208 X L H X>S+ 0 0 13 -4,-2.6 5,-2.7 2,-0.2 4,-0.6 0.896 111.9 48.3 -60.1 -42.6 33.2 -11.2 19.9 206 209 X K H ><5S+ 0 0 172 -4,-2.3 3,-0.8 2,-0.2 -1,-0.2 0.916 111.8 50.2 -64.1 -43.1 34.2 -14.8 18.9 207 210 X F H 3<5S+ 0 0 37 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.871 113.5 45.6 -59.5 -40.4 35.1 -13.5 15.4 208 211 X L H 3<5S- 0 0 16 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.527 109.9-125.7 -80.0 -7.9 37.1 -10.7 17.0 209 212 X E T <<5 + 0 0 157 -3,-0.8 2,-0.4 -4,-0.6 -3,-0.2 0.883 63.1 140.8 59.7 41.3 38.8 -13.2 19.4 210 213 X K < - 0 0 91 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.2 -0.945 39.1-160.8-116.2 134.8 37.7 -11.0 22.4 211 214 X D + 0 0 160 -2,-0.4 -5,-0.0 -3,-0.1 0, 0.0 -0.969 16.7 175.3-112.0 129.5 36.4 -12.2 25.7 212 215 X I - 0 0 24 -2,-0.5 5,-0.0 2,-0.0 -154,-0.0 -0.936 35.2 -94.7-129.4 153.7 34.5 -9.7 27.9 213 216 X P >> - 0 0 59 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.327 35.2-114.3 -65.0 151.3 32.6 -10.1 31.2 214 217 X E H 3> S+ 0 0 88 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.843 117.4 56.4 -51.5 -40.9 28.9 -10.8 31.2 215 218 X E H 3> S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.876 108.0 47.5 -61.5 -39.6 28.2 -7.3 32.7 216 219 X I H <> S+ 0 0 25 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.892 109.4 53.6 -70.0 -39.8 30.1 -5.7 29.9 217 220 X L H X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.920 109.9 47.9 -57.3 -45.2 28.1 -7.7 27.3 218 221 X N H X S+ 0 0 77 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.869 110.2 52.2 -65.5 -37.2 24.9 -6.5 28.9 219 222 X K H X S+ 0 0 88 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.913 110.5 47.8 -60.4 -45.6 26.2 -2.9 28.9 220 223 X I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.913 110.5 52.0 -65.0 -42.7 27.0 -3.2 25.1 221 224 X L H < S+ 0 0 36 -4,-2.4 4,-0.2 -5,-0.2 -1,-0.2 0.907 112.9 45.4 -56.5 -46.4 23.5 -4.7 24.5 222 225 X Y H >< S+ 0 0 145 -4,-2.2 3,-1.7 1,-0.2 6,-0.3 0.963 113.7 46.4 -63.8 -51.6 21.8 -1.8 26.3 223 226 X H H 3< S+ 0 0 39 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.716 112.7 50.8 -72.2 -16.9 23.8 1.0 24.7 224 227 X S T 3< S+ 0 0 3 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.353 84.4 115.3 -98.5 5.2 23.4 -0.5 21.2 225 228 X S S <> S- 0 0 35 -3,-1.7 4,-2.9 -4,-0.2 5,-0.2 -0.425 77.5-115.8 -72.7 151.7 19.6 -0.9 21.5 226 229 X F H > S+ 0 0 66 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.898 112.1 52.6 -55.1 -47.0 17.5 1.3 19.2 227 230 X S H > S+ 0 0 80 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.894 114.4 42.3 -62.3 -38.9 15.8 3.3 21.9 228 231 X V H > S+ 0 0 24 -6,-0.3 4,-0.6 2,-0.2 3,-0.4 0.934 115.9 48.2 -71.7 -46.3 19.2 4.3 23.5 229 232 X M H >< S+ 0 0 6 -4,-2.9 3,-1.2 1,-0.2 6,-0.3 0.908 107.0 56.9 -61.3 -40.3 20.9 4.9 20.1 230 233 X K H 3< S+ 0 0 65 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.833 111.5 42.6 -58.8 -34.9 18.0 7.1 18.9 231 234 X E H 3< S+ 0 0 148 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.456 94.0 96.6 -91.3 -1.8 18.3 9.4 21.9 232 235 X N XX - 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