==== 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 15-JUN-01 1JDU . COMPND 2 MOLECULE: 5'-METHYLTHIOADENOSINE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR T.C.APPLEBY,I.I.MATHEWS,M.PORCELLI,G.CACCIAPUOTI,S.E.EALICK . 694 5 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 499 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 114 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 9.5 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 . 3 0.4 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 . 48 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 0 0 2 6 1 0 0 3 1 5 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 7 2 0 2 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 2 1 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 3 A P 0 0 75 0, 0.0 4,-0.0 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 164.5 55.2 70.2 5.9 2 4 A V + 0 0 101 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.427 360.0 41.4-139.0 -8.1 51.9 71.3 7.3 3 5 A H S S+ 0 0 41 1,-0.3 2,-0.9 66,-0.1 40,-0.2 0.780 110.5 51.2-107.7 -47.3 52.5 72.1 11.1 4 6 A I - 0 0 1 1,-0.1 -1,-0.3 35,-0.1 37,-0.1 -0.839 68.1-172.7 -96.4 101.2 55.8 73.9 11.0 5 7 A L + 0 0 101 -2,-0.9 -1,-0.1 -3,-0.2 33,-0.1 0.261 39.5 124.5 -80.6 10.2 55.3 76.6 8.4 6 8 A A - 0 0 10 1,-0.1 2,-0.3 34,-0.1 32,-0.1 -0.224 61.6-117.7 -63.5 164.7 58.9 77.9 8.4 7 9 A K > - 0 0 136 30,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.713 36.1 -82.5-104.6 158.8 60.5 77.9 5.0 8 10 A K T 3 S+ 0 0 169 1,-0.3 70,-0.1 -2,-0.3 -1,-0.1 -0.417 119.9 32.7 -62.3 122.3 63.6 75.9 3.9 9 11 A G T 3 S+ 0 0 69 68,-0.8 -1,-0.3 2,-0.3 69,-0.1 0.294 99.2 82.5 112.5 -6.8 66.7 77.8 5.0 10 12 A E S < S+ 0 0 62 -3,-2.1 2,-0.5 67,-0.1 -2,-0.2 0.395 82.2 69.4-105.1 -2.7 65.0 79.2 8.2 11 13 A V S S- 0 0 9 66,-0.4 -2,-0.3 -4,-0.3 -1,-0.1 -0.981 81.4-137.7-119.0 121.3 65.7 76.1 10.2 12 14 A A - 0 0 9 -2,-0.5 43,-0.1 2,-0.2 65,-0.1 -0.153 18.4-119.2 -71.1 169.2 69.3 75.3 11.0 13 15 A E S S+ 0 0 109 41,-0.2 68,-1.7 66,-0.2 67,-1.6 0.878 103.7 64.5 -74.0 -39.9 70.9 71.8 10.8 14 16 A R E S-ab 55 81A 63 40,-0.6 42,-1.9 65,-0.1 2,-0.4 -0.743 73.9-178.0 -87.4 126.6 71.6 72.0 14.5 15 17 A V E -ab 56 82A 0 66,-2.2 68,-2.2 -2,-0.5 2,-0.7 -0.984 26.8-157.9-136.2 135.8 68.5 72.2 16.7 16 18 A L E -ab 57 83A 0 40,-2.7 42,-1.9 -2,-0.4 2,-0.4 -0.929 25.0-162.7-104.8 112.2 67.7 72.4 20.4 17 19 A V E +ab 58 84A 0 66,-1.5 68,-2.4 -2,-0.7 2,-0.3 -0.847 11.7 176.8-102.9 134.2 64.2 71.0 20.9 18 20 A V E -a 59 0A 0 40,-3.1 42,-2.4 -2,-0.4 43,-0.5 -0.930 32.0-132.7-129.7 156.2 62.1 71.7 24.0 19 21 A G S S+ 0 0 18 66,-0.4 42,-0.8 -2,-0.3 -1,-0.1 0.845 85.7 69.8 -77.6 -33.6 58.5 70.8 25.0 20 22 A D > - 0 0 83 1,-0.1 4,-1.6 40,-0.1 5,-0.1 -0.676 64.6-152.5 -91.3 134.4 57.3 74.2 26.2 21 23 A P H > S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.887 99.7 55.9 -69.0 -36.8 56.7 77.1 23.8 22 24 A G H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.771 106.5 50.2 -65.4 -28.3 57.5 79.6 26.6 23 25 A R H > S+ 0 0 48 2,-0.2 4,-3.4 3,-0.2 5,-0.2 0.883 106.3 53.9 -77.7 -39.9 60.9 78.0 27.2 24 26 A A H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.928 113.7 43.6 -58.6 -44.7 61.9 78.1 23.5 25 27 A R H >X S+ 0 0 144 -4,-2.0 3,-0.6 2,-0.2 4,-0.5 0.952 114.0 49.6 -65.7 -49.5 61.1 81.8 23.6 26 28 A L H >< S+ 0 0 69 -4,-2.1 3,-1.0 1,-0.3 -2,-0.2 0.909 114.9 45.0 -55.6 -43.9 62.8 82.3 26.9 27 29 A L H >< S+ 0 0 0 -4,-3.4 3,-1.9 1,-0.2 -1,-0.3 0.645 93.3 79.1 -76.2 -16.6 65.9 80.4 25.7 28 30 A S H X< S+ 0 0 9 -4,-1.1 3,-1.4 -3,-0.6 -1,-0.2 0.719 80.3 71.3 -64.5 -17.5 65.9 82.3 22.4 29 31 A T T << S+ 0 0 94 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.1 0.610 84.7 66.4 -74.6 -10.7 67.6 85.2 24.2 30 32 A L T < S+ 0 0 32 -3,-1.9 -1,-0.3 2,-0.1 2,-0.2 0.468 91.5 84.6 -86.4 -1.2 70.8 83.1 24.5 31 33 A L S < S- 0 0 11 -3,-1.4 2,-0.5 -4,-0.1 19,-0.2 -0.621 86.7-112.0 -99.3 160.3 71.1 83.4 20.7 32 34 A Q E S-C 49 0A 110 17,-3.1 17,-2.2 1,-0.2 -2,-0.1 -0.814 96.8 -8.8 -91.0 125.1 72.6 86.2 18.7 33 35 A N E S- 0 0 121 -2,-0.5 -1,-0.2 15,-0.2 14,-0.1 0.906 86.8-151.6 55.1 54.0 69.9 88.0 16.7 34 36 A P E - 0 0 50 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.250 12.4-167.1 -57.1 134.6 67.0 85.6 17.4 35 37 A K E -C 47 0A 121 12,-2.3 12,-2.3 -25,-0.1 2,-0.8 -0.991 21.6-129.9-131.9 126.2 64.3 85.4 14.7 36 38 A L E +C 46 0A 81 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.626 29.0 174.8 -74.6 109.5 60.9 83.8 15.1 37 39 A T E + 0 0 23 8,-3.1 2,-0.3 -2,-0.8 -30,-0.2 0.451 62.5 10.4 -98.1 -2.8 60.6 81.5 12.0 38 40 A N E +C 45 0A 12 7,-0.8 7,-2.1 -32,-0.1 -1,-0.2 -0.904 39.3 165.1-171.3 146.0 57.3 79.8 12.9 39 41 A E > + 0 0 134 -2,-0.3 3,-1.4 5,-0.2 5,-0.2 0.159 38.0 138.0-146.8 12.9 54.4 80.0 15.3 40 42 A N G > S- 0 0 52 3,-0.3 3,-1.8 1,-0.3 -34,-0.1 -0.448 80.8 -1.1 -69.8 133.4 51.8 77.8 13.6 41 43 A R G 3 S- 0 0 179 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.631 127.1 -70.6 62.0 14.5 49.9 75.5 15.9 42 44 A G G < S+ 0 0 38 -3,-1.4 2,-1.8 1,-0.2 -1,-0.3 0.397 96.5 134.8 86.7 -3.0 51.9 76.9 18.7 43 45 A F < - 0 0 26 -3,-1.8 -3,-0.3 -40,-0.2 -1,-0.2 -0.543 44.4-156.4 -82.7 80.4 55.2 75.2 17.8 44 46 A L - 0 0 22 -2,-1.8 15,-1.0 -5,-0.2 2,-0.5 -0.337 10.2-169.9 -61.4 125.9 57.5 78.2 18.2 45 47 A V E -CD 38 58A 0 -7,-2.1 -8,-3.1 13,-0.2 -7,-0.8 -0.959 2.0-172.0-123.5 115.5 60.7 78.0 16.2 46 48 A Y E -CD 36 57A 26 11,-2.9 11,-2.9 -2,-0.5 2,-0.4 -0.838 0.7-170.3-108.5 144.2 63.5 80.4 16.7 47 49 A T E +CD 35 56A 18 -12,-2.3 -12,-2.3 -2,-0.4 2,-0.3 -0.992 26.3 114.0-133.7 141.1 66.7 80.7 14.6 48 50 A G E - D 0 55A 9 7,-2.3 7,-2.9 -2,-0.4 2,-0.3 -0.901 54.8 -67.2-173.6-161.0 69.8 82.7 15.2 49 51 A K E +CD 32 54A 107 -17,-2.2 -17,-3.1 -2,-0.3 2,-0.3 -0.767 30.6 175.3-117.3 161.5 73.5 82.3 15.9 50 52 A Y S S- 0 0 30 3,-2.0 3,-0.3 -2,-0.3 -19,-0.1 -0.873 76.4 -6.2-161.1 123.2 75.7 81.0 18.7 51 53 A N S S- 0 0 109 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.905 130.8 -54.5 55.6 41.3 79.5 80.6 18.7 52 54 A G S S+ 0 0 57 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.878 118.0 106.9 61.1 39.0 79.6 81.6 15.0 53 55 A E S S- 0 0 68 -3,-0.3 -3,-2.0 2,-0.0 2,-0.5 -0.975 72.7-112.0-144.0 155.3 77.1 78.9 14.0 54 56 A T E + D 0 49A 63 -2,-0.3 -40,-0.6 -5,-0.2 2,-0.3 -0.779 41.4 174.1 -91.4 130.2 73.4 78.9 13.0 55 57 A V E -aD 14 48A 0 -7,-2.9 -7,-2.3 -2,-0.5 2,-0.3 -0.980 19.0-151.8-136.7 149.6 71.1 77.2 15.5 56 58 A S E -aD 15 47A 0 -42,-1.9 -40,-2.7 -2,-0.3 2,-0.5 -0.888 3.2-155.2-118.5 150.6 67.4 76.7 15.8 57 59 A I E -aD 16 46A 0 -11,-2.9 -11,-2.9 -2,-0.3 2,-0.3 -0.957 24.8-177.5-126.9 109.3 65.3 76.3 19.0 58 60 A A E -aD 17 45A 0 -42,-1.9 -40,-3.1 -2,-0.5 2,-0.4 -0.791 25.0-129.9-115.3 155.1 62.1 74.5 18.4 59 61 A T E +a 18 0A 2 -15,-1.0 -40,-0.2 -2,-0.3 -39,-0.1 -0.793 18.8 178.4 -97.0 136.5 59.0 73.4 20.4 60 62 A H - 0 0 0 -42,-2.4 -41,-0.2 -2,-0.4 10,-0.2 0.413 29.0-144.7-118.3 1.6 57.8 69.8 20.2 61 63 A G - 0 0 16 -42,-0.8 2,-0.5 -43,-0.5 -1,-0.3 -0.313 42.6 -42.2 69.8-155.4 54.9 69.9 22.6 62 64 A I S S+ 0 0 133 117,-0.0 4,-0.2 118,-0.0 -1,-0.1 -0.955 95.7 22.1-119.8 126.7 54.1 66.9 24.8 63 65 A G S > S- 0 0 11 -2,-0.5 4,-2.2 1,-0.1 5,-0.3 -0.023 82.1 -81.9 108.1 151.2 54.1 63.2 23.7 64 66 A G H > S+ 0 0 0 115,-0.4 4,-2.6 1,-0.2 5,-0.3 0.925 123.1 51.7 -52.3 -54.1 55.6 60.8 21.2 65 67 A P H > S+ 0 0 87 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.886 112.4 47.5 -52.0 -43.1 53.1 61.6 18.4 66 68 A S H > S+ 0 0 29 -4,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.962 114.9 41.5 -65.7 -55.0 53.7 65.4 18.8 67 69 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.843 110.4 59.1 -64.3 -32.7 57.5 65.4 18.8 68 70 A A H X S+ 0 0 4 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.922 107.5 47.0 -61.1 -42.9 57.6 62.8 16.0 69 71 A I H X S+ 0 0 68 -4,-1.5 4,-1.8 -5,-0.3 -2,-0.2 0.916 113.4 48.0 -64.4 -44.1 55.6 65.2 13.8 70 72 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 -10,-0.2 5,-0.2 0.882 112.2 48.2 -66.8 -39.3 57.9 68.1 14.7 71 73 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.961 109.4 53.6 -65.1 -49.5 61.1 66.2 14.1 72 74 A E H X S+ 0 0 38 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.875 115.0 40.6 -51.1 -44.0 59.8 64.9 10.7 73 75 A E H X S+ 0 0 13 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.867 112.1 52.8 -77.8 -36.9 59.1 68.5 9.5 74 76 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 3,-0.6 0.919 111.8 49.2 -63.0 -40.0 62.2 70.1 10.9 75 77 A A H ><5S+ 0 0 24 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.896 104.4 56.8 -65.0 -40.9 64.2 67.5 9.1 76 78 A M H 3<5S+ 0 0 119 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.714 108.1 51.0 -63.0 -19.2 62.2 68.1 5.8 77 79 A L T <<5S- 0 0 13 -4,-0.9 -68,-0.8 -3,-0.6 -66,-0.4 0.238 136.7 -81.9-101.6 10.5 63.4 71.7 6.3 78 80 A G T < 5S+ 0 0 30 -3,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.269 82.1 135.5 113.7 -14.5 67.1 70.7 6.8 79 81 A A < + 0 0 2 -5,-2.4 -1,-0.3 -6,-0.1 -66,-0.2 -0.498 8.5 153.5 -73.6 136.1 67.5 69.7 10.4 80 82 A N + 0 0 62 -67,-1.6 114,-2.5 -2,-0.2 2,-0.4 0.268 58.2 65.3-141.5 6.8 69.6 66.5 11.0 81 83 A V E -be 14 194A 26 -68,-1.7 -66,-2.2 112,-0.2 2,-0.4 -0.964 61.6-179.5-136.4 115.5 71.0 67.1 14.6 82 84 A F E -be 15 195A 0 112,-2.5 114,-1.8 -2,-0.4 2,-0.5 -0.960 15.7-177.0-125.1 134.5 68.7 67.2 17.6 83 85 A I E -be 16 196A 0 -68,-2.2 -66,-1.5 -2,-0.4 2,-0.3 -0.940 18.6-150.6-127.2 107.7 69.2 67.7 21.3 84 86 A R E -be 17 197A 7 112,-2.2 114,-2.2 -2,-0.5 2,-0.4 -0.576 12.8-171.2 -77.1 138.8 66.1 67.5 23.4 85 87 A Y E + e 0 198A 0 -68,-2.4 -66,-0.4 -2,-0.3 2,-0.2 -0.967 25.6 123.2-135.9 115.0 66.2 69.6 26.5 86 88 A G E - e 0 199A 3 112,-1.5 114,-3.0 -2,-0.4 2,-0.2 -0.767 52.6 -83.3-150.7-164.0 63.5 69.3 29.1 87 89 A T E + e 0 200A 50 112,-0.3 2,-0.3 -2,-0.2 114,-0.2 -0.707 39.6 178.0-111.3 163.7 62.5 68.6 32.7 88 90 A T E - e 0 201A 7 112,-2.1 114,-2.2 -2,-0.2 115,-1.0 -0.990 31.4-112.0-161.8 163.9 61.9 65.2 34.4 89 91 A G E -Fe 177 203A 9 88,-1.7 88,-2.5 -2,-0.3 115,-0.3 -0.913 37.6-128.7-105.0 125.2 61.0 63.4 37.5 90 92 A A E -Fe 176 204A 0 113,-3.3 115,-2.1 -2,-0.5 116,-0.5 -0.438 12.6-161.3 -74.8 146.5 63.8 61.3 39.0 91 93 A L S S+ 0 0 2 84,-2.6 85,-0.2 113,-0.2 -1,-0.1 0.397 74.1 66.9-104.2 -2.6 63.2 57.7 39.9 92 94 A V S > S- 0 0 17 83,-0.8 3,-0.8 1,-0.1 114,-0.2 -0.946 73.9-138.5-122.4 144.4 66.2 57.4 42.3 93 95 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.804 93.1 69.5 -67.9 -37.2 66.7 59.2 45.7 94 96 A Y T 3 S+ 0 0 130 2,-0.0 2,-0.5 113,-0.0 113,-0.0 0.424 82.2 88.1 -67.7 1.4 70.3 60.2 45.3 95 97 A I < - 0 0 1 -3,-0.8 2,-0.2 80,-0.1 -5,-0.1 -0.904 68.2-150.9-105.3 127.3 69.5 62.8 42.6 96 98 A N > - 0 0 70 -2,-0.5 3,-1.4 1,-0.1 105,-0.2 -0.547 26.9 -88.5 -95.7 161.0 68.6 66.3 43.8 97 99 A L T 3 S+ 0 0 33 1,-0.2 105,-0.2 -2,-0.2 -1,-0.1 -0.335 111.1 26.6 -66.0 144.1 66.3 68.9 42.2 98 100 A G T 3 S+ 0 0 17 103,-2.8 -1,-0.2 1,-0.3 2,-0.1 0.243 94.6 115.1 88.3 -16.6 68.0 71.3 39.8 99 101 A E < - 0 0 34 -3,-1.4 102,-2.4 102,-0.2 -1,-0.3 -0.405 63.5-115.8 -81.2 165.8 70.7 68.7 38.9 100 102 A Y E -gH 147 200A 8 46,-2.6 48,-2.1 100,-0.2 2,-0.4 -0.663 14.5-153.2-109.1 161.4 70.9 67.3 35.4 101 103 A I E -gH 148 199A 0 98,-2.3 98,-2.4 46,-0.2 2,-0.7 -0.955 6.3-156.1-133.2 113.3 70.5 63.9 33.6 102 104 A I E -gH 149 198A 0 46,-2.3 48,-1.5 -2,-0.4 2,-0.3 -0.813 28.6-131.0 -89.5 115.4 72.3 63.1 30.3 103 105 A V E +g 150 0A 0 94,-1.8 94,-0.4 -2,-0.7 48,-0.2 -0.510 33.2 172.1 -75.8 130.4 70.2 60.4 28.8 104 106 A T E - 0 0 17 46,-2.3 2,-0.3 1,-0.3 47,-0.2 0.452 67.8 -3.2-111.9 -8.5 71.8 57.2 27.4 105 107 A G E -g 151 0A 0 45,-0.6 47,-2.6 22,-0.2 2,-0.4 -0.949 57.9-131.8-177.1 157.8 68.7 55.2 26.6 106 108 A A E -g 152 0A 1 20,-2.1 20,-0.3 -2,-0.3 2,-0.2 -0.980 8.7-158.4-131.0 126.5 64.9 55.1 26.7 107 109 A S E +g 153 0A 0 45,-2.5 47,-2.8 -2,-0.4 2,-0.3 -0.642 26.5 167.5 -90.6 155.5 62.7 52.3 28.0 108 110 A Y E -gI 154 587A 4 479,-1.3 479,-2.5 -2,-0.2 2,-0.4 -0.987 38.0-102.1-164.5 161.2 59.1 52.3 26.6 109 111 A N - 0 0 65 45,-0.5 477,-0.1 -2,-0.3 -2,-0.0 -0.731 47.3-109.8 -91.6 140.6 55.9 50.4 26.3 110 112 A Q + 0 0 48 -2,-0.4 2,-0.3 475,-0.3 -1,-0.1 -0.136 67.6 50.5 -66.4 161.6 55.3 48.8 23.0 111 113 A G S >> S+ 0 0 23 1,-0.2 4,-2.1 9,-0.1 3,-0.9 -0.795 72.5 45.5 121.6-161.5 52.6 49.8 20.5 112 114 A G H 3> S+ 0 0 54 -2,-0.3 4,-2.6 1,-0.2 3,-0.4 0.311 117.7 17.5 18.7-113.9 51.2 52.8 18.7 113 115 A L H 3> S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.882 129.3 50.7 -47.4 -49.5 53.8 55.0 17.2 114 116 A F H <> S+ 0 0 15 -3,-0.9 4,-3.0 1,-0.2 6,-0.4 0.891 110.7 49.0 -61.2 -39.3 56.5 52.3 17.4 115 117 A Y H X S+ 0 0 126 -4,-2.1 4,-1.6 -3,-0.4 -1,-0.2 0.927 111.0 49.9 -66.3 -44.0 54.4 49.7 15.7 116 118 A Q H < S+ 0 0 163 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.861 120.1 35.5 -62.7 -38.2 53.5 52.1 12.9 117 119 A Y H < S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.904 123.7 40.1 -82.9 -46.0 57.1 53.0 12.2 118 120 A L H < S- 0 0 8 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.586 95.5-138.0 -80.8 -11.7 58.8 49.7 13.0 119 121 A R S < S+ 0 0 208 -4,-1.6 2,-0.3 -5,-0.3 -4,-0.1 0.555 77.5 35.9 64.9 8.4 56.1 47.7 11.3 120 122 A D S S- 0 0 17 -6,-0.4 -2,-0.2 -5,-0.1 -9,-0.1 -0.952 95.4 -90.8-169.7 178.4 56.2 45.1 14.1 121 123 A N + 0 0 80 -2,-0.3 453,-0.3 -11,-0.1 -6,-0.1 0.278 67.1 136.9 -90.3 12.4 56.7 44.8 17.8 122 124 A A - 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