==== 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 2ZYU . 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 . 289 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 6.6 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 3 2 3 0 0 0 2 2 1 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 6 X D 0 0 147 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.2 -25.2 -57.2 6.3 2 7 X V + 0 0 30 80,-0.1 3,-0.4 2,-0.1 16,-0.2 0.681 360.0 81.9 -71.0 -14.3 -27.1 -53.9 6.0 3 8 X F S S+ 0 0 32 1,-0.2 140,-0.3 142,-0.0 139,-0.1 -0.460 85.8 16.2 -96.3 158.3 -24.5 -52.2 8.3 4 9 X R S S+ 0 0 49 138,-3.1 142,-0.5 140,-0.5 -1,-0.2 0.592 81.0 148.6 62.6 19.2 -21.1 -50.7 7.7 5 10 X R - 0 0 94 -3,-0.4 -1,-0.2 138,-0.4 2,-0.1 -0.343 55.2 -92.3 -77.2 162.2 -21.3 -50.5 4.0 6 11 X E - 0 0 147 1,-0.1 11,-0.3 139,-0.1 -1,-0.1 -0.418 48.7-104.8 -62.2 146.4 -19.7 -47.9 1.8 7 12 X L - 0 0 33 9,-0.1 2,-0.5 -2,-0.1 9,-0.2 -0.345 29.7-135.2 -68.2 158.2 -21.8 -44.8 1.1 8 13 X V E -A 15 0A 62 7,-3.5 7,-2.7 5,-0.1 2,-0.2 -0.983 19.0-115.9-123.9 126.8 -23.3 -44.5 -2.3 9 14 X D E -A 14 0A 106 -2,-0.5 2,-0.5 5,-0.2 7,-0.0 -0.445 29.1-173.2 -60.4 125.7 -23.3 -41.2 -4.2 10 15 X V E > S-A 13 0A 10 3,-2.9 3,-2.4 -2,-0.2 10,-0.0 -0.984 75.1 -30.0-123.9 113.4 -26.8 -39.8 -4.8 11 16 X E T 3 S- 0 0 99 -2,-0.5 -1,-0.1 1,-0.3 96,-0.0 0.878 130.9 -41.5 42.4 49.5 -26.7 -36.7 -7.0 12 17 X G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 153,-0.0 -3,-0.1 0.315 120.9 101.8 90.6 -4.6 -23.2 -35.9 -5.7 13 18 X I E < S-A 10 0A 11 -3,-2.4 -3,-2.9 152,-0.1 2,-0.5 -0.932 72.1-121.5-120.9 130.5 -23.8 -36.7 -2.0 14 19 X P E +A 9 0A 14 0, 0.0 150,-3.0 0, 0.0 151,-0.5 -0.569 42.9 168.9 -72.0 122.0 -22.7 -39.8 -0.2 15 20 X L E -A 8 0A 0 -7,-2.7 -7,-3.5 -2,-0.5 148,-0.0 -0.874 44.0 -75.3-125.4 164.1 -25.7 -41.5 1.3 16 21 X F >> - 0 0 6 -2,-0.3 4,-2.5 -9,-0.2 3,-0.9 -0.262 47.2-116.5 -53.9 141.2 -26.4 -44.8 2.9 17 22 X W H 3> S+ 0 0 27 -11,-0.3 4,-2.4 1,-0.3 -1,-0.1 0.828 115.0 51.1 -51.8 -36.0 -26.6 -47.5 0.3 18 23 X S H 3> S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.775 107.7 51.5 -81.3 -27.2 -30.2 -48.2 1.1 19 24 X I H <4 S+ 0 0 0 -3,-0.9 3,-0.5 2,-0.2 7,-0.2 0.943 112.7 46.7 -66.5 -48.8 -31.2 -44.5 0.8 20 25 X A H >< S+ 0 0 20 -4,-2.5 3,-1.7 1,-0.2 4,-0.3 0.924 110.6 52.9 -56.5 -44.5 -29.5 -44.5 -2.6 21 26 X E H 3< S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.3 3,-0.2 0.809 118.7 35.8 -63.3 -29.1 -31.2 -47.7 -3.5 22 27 X H T >X S+ 0 0 49 -4,-1.0 4,-1.1 -3,-0.5 3,-0.9 0.003 80.6 126.1-111.5 27.8 -34.6 -46.2 -2.6 23 28 X W H X> + 0 0 21 -3,-1.7 4,-3.4 1,-0.3 3,-0.5 0.855 66.5 59.1 -59.2 -38.7 -33.8 -42.8 -3.8 24 29 X S H 3> S+ 0 0 91 -4,-0.3 4,-2.0 1,-0.3 -1,-0.3 0.877 103.3 53.9 -60.8 -33.3 -36.8 -42.5 -6.1 25 30 X Q H <4 S+ 0 0 48 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.829 114.5 41.5 -65.0 -35.2 -39.1 -43.1 -3.1 26 31 X V H X< S+ 0 0 0 -4,-1.1 3,-2.4 -3,-0.5 -2,-0.2 0.953 112.3 52.3 -77.0 -52.3 -37.4 -40.2 -1.4 27 32 X E H 3< S+ 0 0 86 -4,-3.4 84,-0.5 1,-0.3 85,-0.4 0.831 114.1 45.4 -49.9 -39.8 -37.2 -37.9 -4.4 28 33 X S T 3< S+ 0 0 81 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.303 82.2 145.5 -91.5 9.1 -41.0 -38.4 -4.9 29 34 X F < - 0 0 3 -3,-2.4 2,-0.9 1,-0.1 83,-0.4 -0.211 48.3-131.4 -51.5 135.1 -41.8 -37.9 -1.3 30 35 X E - 0 0 147 58,-0.1 -1,-0.1 82,-0.1 2,-0.1 -0.802 24.5-167.8 -97.2 104.5 -45.1 -36.2 -0.9 31 36 X A - 0 0 9 -2,-0.9 82,-0.0 4,-0.0 80,-0.0 -0.358 11.0-138.4 -77.4 168.2 -44.9 -33.3 1.5 32 37 X R > - 0 0 65 -2,-0.1 3,-2.0 66,-0.1 84,-0.1 -0.935 23.1-112.5-128.7 152.6 -48.0 -31.6 2.9 33 38 X P T 3 S+ 0 0 88 0, 0.0 86,-0.4 0, 0.0 -1,-0.0 0.791 116.4 45.5 -59.7 -27.4 -48.5 -27.8 3.4 34 39 X D T 3 S+ 0 0 74 84,-0.1 2,-0.1 2,-0.1 83,-0.0 0.302 82.4 122.8-101.3 7.8 -48.5 -28.1 7.2 35 40 X D < - 0 0 0 -3,-2.0 84,-0.7 62,-0.1 2,-0.6 -0.466 54.8-146.0 -57.7 137.2 -45.6 -30.4 7.5 36 41 X I E -bc 99 119B 7 62,-2.7 64,-3.1 82,-0.1 2,-0.6 -0.969 13.8-153.7-105.3 117.9 -42.9 -29.0 9.6 37 42 X L E -bc 100 120B 0 82,-2.3 84,-3.7 -2,-0.6 2,-0.7 -0.807 5.9-159.8 -92.3 122.0 -39.6 -30.1 8.2 38 43 X I E -bc 101 121B 0 62,-4.1 64,-2.5 -2,-0.6 2,-0.5 -0.926 19.1-174.8 -98.2 117.7 -36.7 -30.2 10.7 39 44 X S E +bc 102 122B 0 82,-3.0 84,-2.2 -2,-0.7 2,-0.3 -0.957 12.3 150.9-121.7 127.9 -33.7 -30.1 8.5 40 45 X T E - c 0 123B 0 62,-2.0 84,-0.1 -2,-0.5 3,-0.1 -0.994 49.5-110.5-150.4 151.3 -30.2 -30.5 9.9 41 46 X Y S > S- 0 0 0 82,-0.7 3,-1.2 -2,-0.3 5,-0.2 -0.616 71.4 -76.2 -68.1 144.0 -26.8 -31.7 9.0 42 47 X P T 3 S+ 0 0 2 0, 0.0 92,-0.2 0, 0.0 -1,-0.1 -0.172 118.0 16.3 -45.4 140.9 -26.4 -34.8 11.1 43 48 X K T 3 S+ 0 0 20 90,-0.1 90,-0.1 -3,-0.1 91,-0.1 0.650 89.9 117.1 76.9 20.5 -25.6 -34.2 14.8 44 49 X S S < S- 0 0 0 -3,-1.2 144,-0.2 79,-0.1 -1,-0.1 0.465 98.5 -72.2-104.2 -1.6 -26.8 -30.6 14.7 45 50 X G S > S+ 0 0 9 -4,-0.1 4,-2.6 78,-0.1 5,-0.3 0.569 82.3 140.4 124.1 17.4 -29.7 -30.8 17.1 46 51 X T H > S+ 0 0 7 -5,-0.2 4,-2.9 1,-0.2 5,-0.2 0.922 76.1 43.9 -55.7 -49.9 -32.3 -32.6 15.1 47 52 X T H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.896 111.9 54.1 -68.7 -38.3 -33.6 -34.7 18.1 48 53 X W H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.958 113.9 40.4 -60.0 -51.1 -33.6 -31.7 20.4 49 54 X V H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.888 112.7 55.6 -68.0 -36.1 -35.7 -29.7 18.0 50 55 X S H X S+ 0 0 2 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.907 109.9 46.2 -60.3 -42.3 -37.9 -32.7 17.2 51 56 X E H X S+ 0 0 2 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.925 112.5 50.9 -65.1 -44.3 -38.6 -33.2 20.9 52 57 X I H X S+ 0 0 1 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.948 111.8 47.1 -56.6 -51.0 -39.3 -29.5 21.3 53 58 X L H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.907 113.2 48.1 -58.6 -43.5 -41.7 -29.6 18.3 54 59 X D H X S+ 0 0 3 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.895 111.8 49.2 -68.3 -38.1 -43.4 -32.7 19.6 55 60 X L H <>S+ 0 0 1 -4,-3.1 5,-3.2 2,-0.2 3,-0.5 0.930 112.2 49.6 -60.7 -46.1 -43.8 -31.1 23.1 56 61 X I H ><5S+ 0 0 6 -4,-3.1 3,-1.9 1,-0.2 -2,-0.2 0.951 110.1 50.0 -56.0 -50.3 -45.2 -27.9 21.4 57 62 X Y H 3<5S+ 0 0 52 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.718 116.4 42.9 -63.3 -21.9 -47.6 -30.0 19.4 58 63 X N T ><5S- 0 0 32 -4,-1.1 3,-2.1 -3,-0.5 -1,-0.3 0.092 114.6-114.2-111.3 19.1 -48.7 -31.8 22.6 59 64 X N T < 5S- 0 0 86 -3,-1.9 -3,-0.2 1,-0.3 3,-0.1 0.840 73.4 -54.2 52.8 41.1 -48.8 -28.7 24.8 60 65 X G T 3 - 0 0 56 -3,-2.1 4,-1.8 -6,-0.4 -1,-0.2 -0.518 25.7-168.3 -72.1 100.3 -47.6 -33.1 27.8 62 67 X A T 4 S+ 0 0 18 -2,-1.1 4,-0.2 1,-0.2 -1,-0.2 0.842 84.5 52.2 -54.2 -41.6 -44.6 -35.3 28.7 63 68 X E T >4 S+ 0 0 132 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.924 107.7 51.1 -65.6 -43.6 -46.7 -38.5 28.7 64 69 X K G >4 S+ 0 0 116 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.868 106.8 54.6 -60.4 -37.0 -48.1 -37.8 25.2 65 70 X C G 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.3 3,-0.2 0.499 102.1 60.2 -76.8 -1.1 -44.6 -37.3 24.0 66 71 X K G < + 0 0 87 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.261 69.3 104.5-105.3 8.3 -43.8 -40.7 25.4 67 72 X R S < S- 0 0 127 -3,-1.5 2,-0.3 1,-0.1 -1,-0.1 0.809 98.8 -15.2 -56.4 -32.7 -46.4 -42.4 23.1 68 73 X D S S- 0 0 77 -3,-0.2 -1,-0.1 -4,-0.2 164,-0.0 -0.973 88.2 -67.8-160.8 173.6 -43.4 -43.6 21.0 69 74 X A >> - 0 0 5 -2,-0.3 4,-2.2 1,-0.1 3,-1.9 -0.308 49.6-113.0 -64.7 152.1 -39.7 -43.1 20.4 70 75 X I H 3> S+ 0 0 2 162,-2.3 4,-3.4 1,-0.3 163,-0.1 0.839 115.6 62.1 -58.1 -35.0 -38.7 -39.8 18.8 71 76 X Y H 34 S+ 0 0 37 1,-0.2 5,-0.5 2,-0.2 -1,-0.3 0.619 111.7 38.7 -72.8 -9.9 -37.6 -41.6 15.6 72 77 X K H <4 S+ 0 0 89 -3,-1.9 -2,-0.2 3,-0.1 -1,-0.2 0.734 116.9 49.0-100.8 -34.6 -41.2 -42.7 15.2 73 78 X R H < S+ 0 0 6 -4,-2.2 26,-0.4 1,-0.3 -2,-0.2 0.854 128.0 26.5 -71.7 -35.1 -42.9 -39.5 16.4 74 79 X V S < S- 0 0 2 -4,-3.4 -1,-0.3 -5,-0.2 26,-0.2 -0.774 94.2-147.6-131.0 83.1 -40.6 -37.5 14.1 75 80 X P - 0 0 0 0, 0.0 26,-3.1 0, 0.0 2,-1.0 -0.240 14.5-126.8 -61.8 139.7 -39.7 -39.8 11.1 76 81 X F B > -d 101 0B 27 -5,-0.5 3,-1.0 1,-0.2 11,-0.3 -0.786 30.9-153.9 -81.7 98.8 -36.3 -39.5 9.4 77 82 X M T 3 S+ 0 0 0 24,-2.9 11,-0.6 -2,-1.0 -1,-0.2 0.883 81.5 36.9 -52.2 -57.1 -37.8 -39.2 6.0 78 83 X E T 3 S+ 0 0 0 23,-0.3 2,-1.0 9,-0.2 -1,-0.3 0.573 87.3 109.6 -78.5 -9.8 -35.0 -40.4 3.7 79 84 X L < + 0 0 26 -3,-1.0 8,-2.8 7,-0.1 2,-0.5 -0.580 39.1 160.4 -74.8 106.7 -33.9 -43.1 6.0 80 85 X I E +F 86 0C 3 -2,-1.0 6,-0.2 6,-0.3 -58,-0.2 -0.999 7.8 168.3-128.2 122.3 -34.9 -46.3 4.4 81 86 X I E >> -F 85 0C 5 4,-3.0 3,-2.5 -2,-0.5 4,-2.2 -0.966 40.1-115.1-134.9 115.8 -33.2 -49.5 5.4 82 87 X P T 34 S+ 0 0 55 0, 0.0 -80,-0.1 0, 0.0 4,-0.1 -0.253 99.0 9.8 -59.9 137.4 -34.8 -52.7 4.2 83 88 X G T 34 S+ 0 0 88 1,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.281 131.1 55.7 82.9 -7.7 -36.2 -54.8 7.1 84 89 X I T <4 S- 0 0 48 -3,-2.5 2,-0.3 1,-0.4 -1,-0.1 0.759 108.9 -19.6-122.6 -54.9 -35.6 -52.0 9.5 85 90 X T E < -F 81 0C 32 -4,-2.2 -4,-3.0 4,-0.0 -1,-0.4 -0.996 33.4-163.2-159.4 155.9 -37.3 -48.7 8.7 86 91 X N E > -F 80 0C 36 -2,-0.3 4,-2.6 -6,-0.2 -6,-0.3 -0.798 5.4-171.7-145.4 101.6 -38.7 -46.6 6.0 87 92 X G H > S+ 0 0 0 -8,-2.8 4,-2.6 -11,-0.3 -9,-0.2 0.864 87.6 53.9 -62.4 -37.7 -39.1 -42.9 6.8 88 93 X V H > S+ 0 0 4 -11,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.956 112.0 43.7 -63.3 -48.2 -41.1 -42.2 3.7 89 94 X E H > S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.913 112.3 52.5 -64.8 -41.1 -43.6 -44.9 4.5 90 95 X M H < S+ 0 0 42 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.930 114.2 43.7 -59.4 -43.6 -43.8 -43.9 8.1 91 96 X L H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.902 107.4 58.2 -67.5 -41.6 -44.5 -40.4 7.1 92 97 X N H 3< S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.865 111.9 43.8 -54.1 -36.4 -47.0 -41.4 4.4 93 98 X N T 3< S+ 0 0 127 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.348 94.0 102.2 -94.1 6.2 -49.0 -43.1 7.1 94 99 X M S < S- 0 0 33 -3,-1.7 2,-0.1 -4,-0.2 4,-0.1 -0.750 71.3-124.3 -96.1 133.2 -48.7 -40.3 9.6 95 100 X P - 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.466 47.0 -72.7 -69.7 146.9 -51.6 -37.9 10.3 96 101 X S S S+ 0 0 50 1,-0.1 -61,-0.1 -2,-0.1 2,-0.1 -0.377 107.8 63.4 -67.1 155.3 -51.0 -34.2 9.9 97 102 X P S S- 0 0 69 0, 0.0 2,-0.3 0, 0.0 -62,-0.1 0.436 80.7-171.6 -78.4 129.1 -49.6 -32.1 11.3 98 103 X R - 0 0 1 -4,-0.1 -62,-2.7 -2,-0.1 2,-0.5 -0.666 20.8-150.0 -90.4 142.3 -46.4 -34.1 10.6 99 104 X I E -b 36 0B 6 -26,-0.4 2,-0.5 -2,-0.3 -62,-0.2 -0.964 23.7-164.1-105.5 126.2 -43.0 -33.3 12.0 100 105 X V E -b 37 0B 0 -64,-3.1 -62,-4.1 -2,-0.5 2,-0.4 -0.943 8.1-154.4-121.8 131.2 -40.5 -34.5 9.4 101 106 X K E +bd 38 76B 14 -26,-3.1 -24,-2.9 -2,-0.5 2,-0.3 -0.844 21.1 163.9-103.5 138.1 -36.8 -35.0 10.0 102 107 X T E -b 39 0B 0 -64,-2.5 -62,-2.0 -2,-0.4 -26,-0.0 -0.994 32.2-171.4-144.3 155.8 -34.3 -34.8 7.2 103 108 X H + 0 0 8 -2,-0.3 -64,-0.1 -64,-0.2 -1,-0.1 0.201 48.4 133.4-115.5 9.9 -30.6 -34.5 6.8 104 109 X L - 0 0 0 -63,-0.1 5,-0.1 1,-0.1 -2,-0.1 -0.370 61.9-115.1 -67.0 137.4 -30.7 -34.0 3.1 105 110 X P >> - 0 0 4 0, 0.0 3,-2.2 0, 0.0 4,-0.8 -0.322 38.7-103.9 -62.1 154.0 -28.7 -31.2 1.6 106 111 X V G >4 S+ 0 0 12 1,-0.3 3,-1.2 64,-0.3 -2,-0.1 0.851 119.4 57.3 -56.5 -38.4 -31.0 -28.6 0.1 107 112 X Q G 34 S+ 0 0 96 1,-0.3 -1,-0.3 -96,-0.0 4,-0.1 0.649 110.4 45.8 -71.1 -13.3 -30.4 -29.7 -3.5 108 113 X L G <4 S+ 0 0 2 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.473 81.6 119.8-103.5 -6.8 -31.5 -33.2 -2.6 109 114 X L S << S- 0 0 8 -3,-1.2 5,-0.1 -4,-0.8 -82,-0.0 -0.360 81.6 -97.0 -60.7 135.7 -34.6 -32.3 -0.6 110 115 X P > - 0 0 1 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.333 31.6-128.2 -54.7 131.5 -37.6 -33.8 -2.3 111 116 X S T >> S+ 0 0 53 -84,-0.5 4,-2.7 1,-0.3 3,-0.6 0.701 99.1 79.2 -60.5 -20.8 -39.1 -31.0 -4.4 112 117 X S H 3> S+ 0 0 13 -83,-0.4 4,-2.8 -85,-0.4 -1,-0.3 0.842 87.1 58.9 -56.9 -34.3 -42.6 -31.5 -2.8 113 118 X F H <4>S+ 0 0 0 -3,-1.9 5,-2.3 2,-0.2 -1,-0.3 0.900 109.6 42.2 -61.9 -41.0 -41.4 -29.5 0.2 114 119 X W H X45S+ 0 0 33 -3,-0.6 3,-1.5 -4,-0.5 -2,-0.2 0.937 114.4 51.0 -65.9 -48.9 -40.6 -26.6 -2.0 115 120 X K H 3<5S+ 0 0 151 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.847 114.2 44.4 -59.4 -35.5 -43.9 -27.0 -4.0 116 121 X N T 3<5S- 0 0 47 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.443 103.5-135.4 -86.9 -2.0 -45.8 -27.2 -0.7 117 122 X D T < 5 - 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0 0 84 -5,-3.1 2,-0.5 -6,-0.1 -1,-0.2 -0.965 37.7-165.8-119.5 137.0 -48.4 -20.5 18.2 209 214 X D + 0 0 164 -2,-0.4 -9,-0.0 -3,-0.1 -5,-0.0 -0.998 19.3 175.5-118.9 120.6 -48.8 -18.5 21.4 210 215 X I - 0 0 27 -2,-0.5 -2,-0.0 1,-0.0 -154,-0.0 -0.889 36.7 -87.6-125.1 156.7 -48.8 -20.7 24.5 211 216 X P >> - 0 0 78 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.273 35.4-118.1 -58.4 146.5 -48.9 -20.0 28.2 212 217 X E H 3> S+ 0 0 101 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.877 116.0 58.6 -49.8 -38.9 -45.6 -19.2 29.9 213 218 X E H 3> S+ 0 0 161 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.876 107.4 44.8 -62.7 -38.0 -46.3 -22.3 32.1 214 219 X I H <> S+ 0 0 30 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.918 111.2 53.0 -71.6 -43.9 -46.5 -24.6 29.0 215 220 X L H X S+ 0 0 7 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.929 110.7 48.5 -52.8 -43.8 -43.3 -22.9 27.5 216 221 X N H X S+ 0 0 68 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.881 109.7 51.9 -68.4 -34.6 -41.6 -23.7 30.8 217 222 X K H X S+ 0 0 84 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.919 111.5 46.7 -62.5 -45.3 -42.9 -27.3 30.7 218 223 X I H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.926 112.2 51.0 -63.5 -44.9 -41.5 -27.6 27.2 219 224 X L H < S+ 0 0 28 -4,-3.0 4,-0.4 -5,-0.2 -2,-0.2 0.900 111.3 48.0 -57.3 -46.2 -38.2 -26.1 28.2 220 225 X Y H >< S+ 0 0 148 -4,-2.5 3,-1.1 1,-0.2 6,-0.3 0.943 114.7 44.0 -62.1 -48.1 -38.0 -28.5 31.2 221 226 X H H 3< S+ 0 0 39 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.649 111.3 53.5 -77.1 -14.3 -38.7 -31.6 29.1 222 227 X S T 3< S+ 0 0 1 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.374 82.1 117.1-101.2 2.7 -36.5 -30.7 26.2 223 228 X S S <> S- 0 0 36 -3,-1.1 4,-3.3 -4,-0.4 3,-0.3 -0.359 76.1-119.6 -65.7 150.0 -33.5 -30.2 28.4 224 229 X F H > S+ 0 0 58 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.903 112.4 55.2 -57.1 -41.9 -30.6 -32.5 27.8 225 230 X S H > S+ 0 0 87 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.834 114.6 39.8 -70.2 -30.0 -30.7 -33.9 31.3 226 231 X V H >> S+ 0 0 28 -3,-0.3 4,-0.5 -6,-0.3 3,-0.5 0.912 119.1 46.0 -77.5 -46.2 -34.4 -34.8 30.9 227 232 X M H >< S+ 0 0 3 -4,-3.3 3,-1.0 1,-0.2 6,-0.3 0.872 105.1 60.6 -65.0 -35.5 -34.0 -36.0 27.3 228 233 X K H 3< S+ 0 0 63 -4,-3.5 -1,-0.2 1,-0.3 23,-0.2 0.846 112.6 38.5 -59.9 -33.9 -30.9 -38.1 28.0 229 234 X E H << S+ 0 0 142 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.446 93.6 101.0 -96.9 -4.2 -32.8 -40.2 30.4 230 235 X N XX - 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