==== 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 2ZYW . 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) . 12756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 66.4 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 33.6 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 4 2 2 0 0 1 1 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 0 146 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.7 -25.6 -58.2 6.6 2 7 X V + 0 0 30 80,-0.1 3,-0.4 2,-0.1 2,-0.2 0.594 360.0 87.2 -72.7 -10.2 -27.3 -54.8 6.2 3 8 X F S S+ 0 0 35 1,-0.2 140,-0.3 142,-0.0 141,-0.1 -0.516 83.7 13.0 -96.8 156.7 -24.7 -53.2 8.5 4 9 X R S S+ 0 0 51 138,-2.8 142,-0.4 140,-0.5 -1,-0.2 0.601 82.2 151.2 61.7 19.6 -21.3 -51.6 8.0 5 10 X R - 0 0 97 -3,-0.4 -1,-0.2 138,-0.4 2,-0.1 -0.308 52.2 -94.3 -76.0 161.2 -21.6 -51.4 4.2 6 11 X E - 0 0 150 1,-0.1 11,-0.3 139,-0.1 -1,-0.1 -0.452 47.0-104.6 -66.9 147.2 -20.0 -48.8 1.9 7 12 X L - 0 0 41 9,-0.1 2,-0.4 -2,-0.1 9,-0.2 -0.318 29.8-137.6 -69.8 158.9 -22.1 -45.7 1.1 8 13 X V E -A 15 0A 60 7,-3.2 7,-2.5 5,-0.1 2,-0.2 -0.978 19.0-112.9-124.9 131.2 -23.7 -45.3 -2.3 9 14 X D E -A 14 0A 108 -2,-0.4 2,-0.4 5,-0.2 7,-0.0 -0.433 30.6-176.4 -64.4 129.4 -23.8 -42.1 -4.4 10 15 X V E > S-A 13 0A 9 3,-2.5 3,-1.9 -2,-0.2 -1,-0.0 -0.959 74.9 -31.5-127.2 111.0 -27.3 -40.6 -4.8 11 16 X E T 3 S- 0 0 107 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 0.863 129.5 -41.4 44.5 44.8 -27.3 -37.5 -7.0 12 17 X G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 153,-0.0 -3,-0.1 0.317 120.7 102.4 95.3 -5.6 -23.8 -36.6 -5.8 13 18 X I E < S-A 10 0A 12 -3,-1.9 -3,-2.5 152,-0.1 2,-0.5 -0.928 72.3-121.9-120.1 130.2 -24.3 -37.4 -2.1 14 19 X P E +A 9 0A 21 0, 0.0 150,-2.8 0, 0.0 151,-0.5 -0.581 44.4 167.0 -71.4 118.3 -23.0 -40.5 -0.2 15 20 X L E -A 8 0A 0 -7,-2.5 -7,-3.2 -2,-0.5 148,-0.0 -0.870 44.0 -75.1-126.3 163.9 -26.1 -42.2 1.3 16 21 X F >> - 0 0 12 -2,-0.3 4,-2.1 -9,-0.2 3,-0.9 -0.268 46.7-116.7 -55.3 141.9 -26.8 -45.6 3.0 17 22 X W H 3> S+ 0 0 29 -11,-0.3 4,-2.0 1,-0.3 -1,-0.1 0.812 113.7 51.5 -52.0 -36.1 -27.0 -48.4 0.4 18 23 X S H 3> S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.773 106.3 52.8 -80.6 -26.9 -30.7 -49.1 1.2 19 24 X I H X4 S+ 0 0 0 -3,-0.9 3,-0.6 2,-0.2 7,-0.2 0.937 111.0 48.3 -66.6 -48.5 -31.7 -45.5 0.8 20 25 X A H >< S+ 0 0 23 -4,-2.1 3,-1.6 1,-0.2 4,-0.2 0.915 108.7 54.4 -54.6 -44.9 -30.1 -45.5 -2.7 21 26 X E H 3< S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.790 117.9 34.6 -63.3 -29.4 -31.8 -48.7 -3.6 22 27 X H T XX S+ 0 0 51 -4,-1.0 4,-1.0 -3,-0.6 3,-0.9 -0.020 80.5 126.3-113.7 27.9 -35.2 -47.2 -2.7 23 28 X W H X> + 0 0 22 -3,-1.6 4,-3.1 1,-0.3 3,-0.5 0.831 65.7 59.4 -61.6 -38.0 -34.5 -43.7 -3.9 24 29 X S H 3> S+ 0 0 86 1,-0.3 4,-1.7 -4,-0.2 -1,-0.3 0.836 103.2 55.3 -60.0 -31.3 -37.5 -43.3 -6.3 25 30 X Q H <4 S+ 0 0 44 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.835 111.9 42.7 -67.8 -35.1 -39.8 -44.0 -3.2 26 31 X V H X< S+ 0 0 0 -4,-1.0 3,-2.0 -3,-0.5 -2,-0.2 0.941 111.9 53.3 -75.0 -50.3 -38.1 -41.1 -1.5 27 32 X E H 3< S+ 0 0 89 -4,-3.1 84,-0.5 1,-0.3 85,-0.3 0.815 111.3 46.6 -50.9 -39.5 -38.1 -38.8 -4.5 28 33 X S T 3< S+ 0 0 82 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.291 80.6 143.6 -92.0 8.3 -41.8 -39.3 -5.0 29 34 X F < - 0 0 5 -3,-2.0 2,-0.8 1,-0.1 83,-0.4 -0.227 48.3-132.9 -51.8 133.5 -42.7 -38.7 -1.3 30 35 X E - 0 0 147 58,-0.1 -1,-0.1 82,-0.1 2,-0.1 -0.823 22.3-165.1 -96.5 105.9 -46.0 -36.9 -1.0 31 36 X A - 0 0 9 -2,-0.8 82,-0.0 4,-0.0 80,-0.0 -0.332 10.2-137.5 -76.5 167.6 -45.8 -34.0 1.5 32 37 X R > - 0 0 66 -2,-0.1 3,-2.0 66,-0.1 84,-0.1 -0.939 22.9-112.9-127.0 150.9 -48.9 -32.3 2.9 33 38 X P T 3 S+ 0 0 89 0, 0.0 86,-0.3 0, 0.0 -1,-0.0 0.782 116.0 46.0 -56.7 -29.8 -49.4 -28.5 3.4 34 39 X D T 3 S+ 0 0 78 84,-0.1 2,-0.1 2,-0.1 -3,-0.0 0.290 82.7 122.3 -99.7 8.8 -49.3 -28.7 7.2 35 40 X D < - 0 0 0 -3,-2.0 84,-0.7 62,-0.1 2,-0.5 -0.449 53.4-147.1 -59.9 139.8 -46.3 -31.0 7.5 36 41 X I E -bc 99 119B 9 62,-2.3 64,-2.9 82,-0.1 2,-0.6 -0.980 12.3-153.2-110.0 120.4 -43.5 -29.6 9.6 37 42 X L E -bc 100 120B 0 82,-2.0 84,-3.3 -2,-0.5 2,-0.6 -0.836 5.7-159.3 -95.9 122.4 -40.1 -30.7 8.3 38 43 X I E -bc 101 121B 0 62,-3.8 64,-2.2 -2,-0.6 2,-0.4 -0.921 19.5-174.2 -96.9 119.7 -37.2 -30.9 10.8 39 44 X S E +bc 102 122B 0 82,-2.8 84,-1.9 -2,-0.6 2,-0.3 -0.967 12.0 151.3-124.0 127.2 -34.1 -30.7 8.6 40 45 X T E - c 0 123B 0 62,-1.9 84,-0.1 -2,-0.4 3,-0.1 -0.996 48.6-112.9-149.2 152.1 -30.6 -31.2 9.9 41 46 X Y S > S- 0 0 0 82,-0.7 3,-1.0 -2,-0.3 5,-0.2 -0.698 70.3 -79.1 -71.7 142.2 -27.1 -32.3 9.1 42 47 X P T 3 S+ 0 0 3 0, 0.0 92,-0.1 0, 0.0 -1,-0.1 -0.112 115.1 17.9 -48.7 141.5 -26.6 -35.4 11.3 43 48 X K T 3 S+ 0 0 23 90,-0.1 90,-0.1 -3,-0.1 91,-0.1 0.646 88.9 115.5 77.3 20.7 -25.8 -34.8 15.0 44 49 X S S < S- 0 0 0 -3,-1.0 144,-0.2 79,-0.1 -1,-0.1 0.408 100.7 -71.3-103.3 1.8 -26.9 -31.1 14.9 45 50 X G S > S+ 0 0 9 -4,-0.1 4,-2.6 78,-0.1 5,-0.3 0.601 82.1 142.3 116.3 22.4 -29.8 -31.4 17.4 46 51 X T H > S+ 0 0 7 -5,-0.2 4,-2.5 1,-0.2 5,-0.1 0.925 77.5 42.6 -56.5 -50.9 -32.4 -33.4 15.4 47 52 X T H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.897 113.1 53.9 -65.9 -41.7 -33.7 -35.5 18.3 48 53 X W H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.945 114.5 39.0 -56.8 -53.2 -33.7 -32.5 20.7 49 54 X V H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.855 112.7 57.1 -71.0 -34.1 -35.8 -30.4 18.3 50 55 X S H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.906 108.9 46.2 -60.3 -43.3 -38.0 -33.4 17.4 51 56 X E H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.917 111.3 52.6 -64.7 -44.2 -38.9 -33.9 21.1 52 57 X I H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.942 111.0 47.3 -55.2 -48.6 -39.5 -30.1 21.5 53 58 X L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.903 112.3 47.9 -62.8 -43.3 -42.0 -30.2 18.5 54 59 X D H X S+ 0 0 4 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.871 111.6 51.4 -66.1 -35.9 -43.8 -33.3 19.8 55 60 X L H <>S+ 0 0 1 -4,-2.6 5,-3.5 2,-0.2 6,-0.4 0.905 110.4 49.0 -64.2 -42.7 -44.0 -31.7 23.3 56 61 X I H ><5S+ 0 0 7 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.925 110.4 50.7 -60.0 -46.7 -45.5 -28.6 21.7 57 62 X Y H 3<5S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.738 115.8 42.9 -64.6 -24.1 -48.0 -30.6 19.7 58 63 X N T ><5S- 0 0 33 -4,-1.1 3,-1.8 -3,-0.2 -1,-0.3 0.087 114.5-113.5-109.9 19.6 -49.0 -32.4 22.9 59 64 X N T < 5S- 0 0 85 -3,-1.5 -3,-0.2 1,-0.3 3,-0.1 0.785 73.5 -56.1 52.9 36.0 -49.1 -29.3 25.1 60 65 X G T 3 - 0 0 54 -3,-1.8 4,-1.8 -6,-0.4 3,-0.2 -0.576 24.3-168.1 -77.0 98.5 -47.8 -33.8 28.2 62 67 X A T 4 S+ 0 0 19 -2,-1.1 4,-0.2 1,-0.2 -1,-0.2 0.830 84.3 52.1 -54.4 -40.4 -44.8 -36.1 29.0 63 68 X E T >4 S+ 0 0 137 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.906 107.8 50.8 -70.2 -39.1 -46.9 -39.2 29.1 64 69 X K G >4 S+ 0 0 114 1,-0.3 3,-1.5 -3,-0.2 -1,-0.2 0.859 106.1 56.2 -63.0 -36.3 -48.4 -38.6 25.6 65 70 X C G 3< S+ 0 0 1 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.511 100.4 60.9 -75.4 -3.9 -44.9 -38.0 24.3 66 71 X K G < + 0 0 88 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.226 68.8 106.3-102.0 12.2 -44.0 -41.5 25.6 67 72 X R S < S- 0 0 129 -3,-1.5 2,-0.3 1,-0.1 -1,-0.1 0.786 97.4 -15.4 -60.0 -29.4 -46.6 -43.2 23.4 68 73 X D S S- 0 0 87 -3,-0.3 -1,-0.1 -4,-0.2 5,-0.0 -0.966 89.7 -66.6-162.4 173.8 -43.7 -44.5 21.2 69 74 X A >> - 0 0 4 -2,-0.3 4,-2.2 1,-0.1 3,-2.1 -0.307 49.9-111.2 -65.7 151.9 -40.0 -44.0 20.5 70 75 X I H 3> S+ 0 0 5 162,-2.4 4,-3.0 1,-0.3 -1,-0.1 0.838 116.5 61.7 -54.5 -35.3 -39.0 -40.7 18.9 71 76 X Y H 34 S+ 0 0 47 1,-0.2 5,-0.5 2,-0.2 -1,-0.3 0.568 111.1 38.9 -73.5 -9.2 -38.1 -42.4 15.7 72 77 X K H <4 S+ 0 0 85 -3,-2.1 -1,-0.2 3,-0.1 -2,-0.2 0.685 116.2 50.1-102.7 -34.1 -41.7 -43.6 15.3 73 78 X R H < S+ 0 0 9 -4,-2.2 26,-0.4 1,-0.3 -2,-0.2 0.881 127.0 26.2 -68.3 -38.6 -43.3 -40.3 16.6 74 79 X V S < S- 0 0 3 -4,-3.0 -1,-0.3 -5,-0.2 26,-0.1 -0.820 94.9-143.5-129.0 85.1 -41.1 -38.3 14.2 75 80 X P - 0 0 0 0, 0.0 26,-2.7 0, 0.0 2,-1.2 -0.234 12.2-128.1 -60.3 137.1 -40.3 -40.6 11.2 76 81 X F B > -d 101 0B 31 -5,-0.5 3,-1.1 1,-0.2 11,-0.3 -0.763 31.2-155.7 -80.4 94.4 -36.8 -40.4 9.5 77 82 X M T 3 S+ 0 0 0 24,-2.3 11,-0.6 -2,-1.2 -1,-0.2 0.854 80.3 36.6 -47.5 -59.2 -38.3 -40.0 6.0 78 83 X E T 3 S+ 0 0 0 23,-0.3 2,-0.9 9,-0.2 -1,-0.3 0.579 87.9 108.3 -78.2 -10.3 -35.5 -41.2 3.7 79 84 X L < + 0 0 29 -3,-1.1 8,-2.4 7,-0.1 2,-0.4 -0.589 39.4 160.9 -75.8 107.9 -34.3 -44.0 6.0 80 85 X I E +F 86 0C 3 -2,-0.9 6,-0.2 6,-0.2 -58,-0.1 -0.998 7.5 169.9-127.8 123.0 -35.4 -47.2 4.4 81 86 X I E >> -F 85 0C 6 4,-2.9 3,-2.3 -2,-0.4 4,-2.1 -0.978 39.2-113.0-134.4 120.2 -33.7 -50.5 5.5 82 87 X P T 34 S+ 0 0 55 0, 0.0 -80,-0.1 0, 0.0 4,-0.1 -0.279 100.6 6.3 -59.0 134.6 -35.2 -53.8 4.3 83 88 X G T 34 S+ 0 0 92 1,-0.1 3,-0.1 2,-0.0 0, 0.0 0.325 131.5 57.9 78.3 -5.6 -36.5 -55.8 7.2 84 89 X I T <4 S- 0 0 55 -3,-2.3 2,-0.3 1,-0.3 -1,-0.1 0.766 107.1 -21.3-120.7 -52.2 -35.9 -52.9 9.7 85 90 X T E < -F 81 0C 37 -4,-2.1 -4,-2.9 4,-0.0 -1,-0.3 -0.992 32.7-161.9-163.5 156.2 -37.7 -49.6 8.8 86 91 X N E > -F 80 0C 38 -2,-0.3 4,-2.3 -6,-0.2 -6,-0.2 -0.777 5.3-172.7-148.0 99.6 -39.3 -47.5 6.1 87 92 X G H > S+ 0 0 0 -8,-2.4 4,-2.3 -11,-0.3 5,-0.2 0.862 86.1 54.5 -61.4 -39.1 -39.7 -43.8 6.8 88 93 X V H > S+ 0 0 3 -11,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.936 111.9 43.5 -61.7 -46.6 -41.8 -43.1 3.7 89 94 X E H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.893 111.1 54.2 -69.0 -39.5 -44.3 -45.8 4.5 90 95 X M H < S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.930 113.9 42.9 -56.8 -46.3 -44.5 -44.8 8.2 91 96 X L H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.892 107.5 59.2 -68.0 -42.0 -45.2 -41.2 7.1 92 97 X N H 3< S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.862 111.2 42.8 -52.5 -38.7 -47.7 -42.3 4.4 93 98 X N T 3< S+ 0 0 133 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.298 95.0 104.4 -93.2 7.4 -49.8 -44.0 7.2 94 99 X M < - 0 0 39 -3,-1.8 2,-0.1 -5,-0.1 4,-0.1 -0.769 69.9-124.6 -96.4 132.8 -49.5 -41.2 9.7 95 100 X P - 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.445 46.8 -69.1 -69.8 146.0 -52.3 -38.7 10.4 96 101 X S S S+ 0 0 53 1,-0.1 -61,-0.1 -2,-0.1 2,-0.0 -0.358 107.5 58.1 -68.0 155.5 -51.8 -35.0 10.0 97 102 X P S S- 0 0 70 0, 0.0 2,-0.3 0, 0.0 -62,-0.1 0.465 80.0-171.9 -80.2 131.7 -50.3 -32.8 11.3 98 103 X R - 0 0 1 -4,-0.1 -62,-2.3 -2,-0.0 2,-0.5 -0.668 21.0-149.0 -92.5 142.8 -47.1 -34.8 10.7 99 104 X I E -b 36 0B 7 -26,-0.4 2,-0.4 -2,-0.3 -62,-0.2 -0.969 23.9-163.7-104.7 123.9 -43.6 -34.0 12.0 100 105 X V E -b 37 0B 0 -64,-2.9 -62,-3.8 -2,-0.5 2,-0.4 -0.918 7.8-153.7-116.6 133.1 -41.1 -35.2 9.5 101 106 X K E +bd 38 76B 15 -26,-2.7 -24,-2.3 -2,-0.4 -23,-0.3 -0.871 21.3 163.3-103.4 138.0 -37.4 -35.7 10.0 102 107 X T E -b 39 0B 0 -64,-2.2 -62,-1.9 -2,-0.4 -26,-0.0 -0.992 32.5-170.7-145.0 153.6 -34.8 -35.5 7.2 103 108 X H + 0 0 12 -2,-0.3 -64,-0.1 -64,-0.2 -1,-0.1 0.183 49.1 134.8-114.3 11.0 -31.0 -35.1 6.8 104 109 X L - 0 0 0 1,-0.1 5,-0.1 -63,-0.1 -2,-0.1 -0.364 61.0-115.7 -68.4 134.7 -31.2 -34.6 3.0 105 110 X P >> - 0 0 4 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.319 38.4-104.2 -55.9 151.1 -29.2 -31.8 1.4 106 111 X V G >4 S+ 0 0 15 1,-0.3 3,-1.0 64,-0.2 -2,-0.1 0.830 119.8 57.1 -50.5 -41.9 -31.5 -29.2 -0.1 107 112 X Q G 34 S+ 0 0 106 1,-0.3 -1,-0.3 -96,-0.0 -3,-0.0 0.631 109.3 46.5 -71.0 -13.8 -31.0 -30.4 -3.7 108 113 X L G <4 S+ 0 0 5 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.472 80.9 119.2-103.8 -6.3 -32.1 -33.9 -2.8 109 114 X L S << S- 0 0 10 -3,-1.0 5,-0.1 -4,-0.7 -82,-0.0 -0.373 80.3 -97.3 -61.7 135.0 -35.3 -33.0 -0.8 110 115 X P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.335 31.5-128.2 -53.2 132.2 -38.4 -34.5 -2.4 111 116 X S T >> S+ 0 0 55 -84,-0.5 4,-2.5 1,-0.3 3,-0.6 0.687 98.9 78.6 -64.2 -19.7 -40.0 -31.7 -4.5 112 117 X S H 3> S+ 0 0 22 -83,-0.4 4,-2.3 -85,-0.3 -1,-0.3 0.826 87.0 59.7 -57.5 -34.0 -43.4 -32.2 -2.9 113 118 X F H <4>S+ 0 0 1 -3,-1.7 5,-2.1 2,-0.2 -1,-0.2 0.894 109.6 41.9 -61.2 -40.3 -42.1 -30.2 0.2 114 119 X W H X45S+ 0 0 35 -3,-0.6 3,-1.4 -4,-0.5 -2,-0.2 0.925 114.0 51.3 -70.9 -45.3 -41.4 -27.2 -2.1 115 120 X K H 3<5S+ 0 0 170 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.816 113.1 45.8 -61.8 -33.0 -44.7 -27.6 -4.0 116 121 X N T 3<5S- 0 0 49 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.433 104.3-134.1 -87.7 -2.0 -46.6 -27.8 -0.7 117 122 X D T < 5 - 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