==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JUN-03 1PJZ . COMPND 2 MOLECULE: THIOPURINE S-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE PV. PISI; . AUTHOR T.H.SCHEUERMANN,E.LOLIS,M.E.HODSDON . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 13.4 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 28 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 1 2 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 H 0 0 206 0, 0.0 36,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.8 19.1 2.6 5.3 2 2 A Q + 0 0 121 2,-0.1 3,-0.2 31,-0.1 31,-0.0 0.960 360.0 157.5 60.1 55.1 16.6 3.0 2.6 3 3 A S S S- 0 0 98 1,-0.2 2,-0.3 176,-0.0 -1,-0.0 0.976 75.2 -3.2 -72.1 -59.2 18.1 0.3 0.4 4 4 A E S S+ 0 0 46 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.710 81.1 137.1-140.3 84.9 15.0 -0.5 -1.7 5 5 A V S >S- 0 0 6 -2,-0.3 5,-1.3 -3,-0.2 175,-0.1 -0.690 82.5 -69.4-131.7 78.3 11.9 1.4 -0.6 6 6 A N T >> - 0 0 14 173,-0.6 4,-2.2 -2,-0.3 5,-0.5 0.859 45.8-136.4 34.3 95.3 10.1 2.6 -3.7 7 7 A K H >5S+ 0 0 105 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.849 108.1 51.3 -43.0 -40.8 12.5 5.3 -5.0 8 8 A D H >5S+ 0 0 6 2,-0.2 4,-3.5 3,-0.2 5,-0.5 0.938 108.2 51.0 -63.3 -48.8 9.4 7.3 -5.5 9 9 A L H >5S+ 0 0 0 -3,-0.3 4,-2.7 1,-0.3 5,-0.4 0.971 116.3 38.5 -51.5 -64.8 8.2 6.7 -2.0 10 10 A Q H X - 0 0 78 1,-0.1 3,-1.9 82,-0.1 2,-1.2 -0.271 58.0-104.0 -59.0 143.4 4.4 16.4 9.5 20 20 A P T 3 S+ 0 0 119 0, 0.0 23,-0.1 0, 0.0 -1,-0.1 -0.595 111.5 15.1 -75.1 96.7 6.7 14.7 12.1 21 21 A G T 3 S+ 0 0 31 -2,-1.2 22,-0.2 21,-0.2 3,-0.1 0.341 89.0 157.4 119.8 0.5 4.3 12.1 13.6 22 22 A A < - 0 0 4 -3,-1.9 22,-2.4 20,-0.1 2,-0.7 -0.074 54.4 -93.0 -52.4 156.9 1.6 12.3 11.0 23 23 A R E -ab 44 101A 96 77,-2.3 79,-2.3 75,-0.4 2,-0.7 -0.683 41.1-164.3 -80.7 114.0 -0.7 9.3 10.7 24 24 A V E -ab 45 102A 0 20,-2.6 22,-3.2 -2,-0.7 79,-0.3 -0.894 5.1-159.6-104.2 112.9 0.6 7.0 8.1 25 25 A L E -ab 46 103A 0 77,-2.2 79,-2.1 -2,-0.7 22,-0.3 -0.614 7.8-159.3 -90.6 150.8 -1.9 4.4 7.0 26 26 A V E >> -a 47 0A 0 20,-1.1 22,-2.3 -2,-0.2 4,-0.6 -0.715 9.3-168.4-132.8 81.1 -0.9 1.2 5.3 27 27 A P T 34 S- 0 0 0 0, 0.0 79,-1.1 0, 0.0 22,-0.1 -0.605 75.6 -40.4 -75.0 117.5 -3.9 -0.2 3.3 28 28 A L T 34 S+ 0 0 15 -2,-0.5 21,-0.2 1,-0.2 77,-0.1 0.784 122.3 104.0 30.8 38.8 -3.1 -3.8 2.2 29 29 A C T <4 + 0 0 0 19,-0.7 -1,-0.2 -3,-0.5 5,-0.2 0.553 36.1 140.9-115.6 -21.8 0.3 -2.3 1.5 30 30 A G < + 0 0 3 18,-1.2 -4,-0.0 -4,-0.6 3,-0.0 0.067 18.4 139.6 -28.7 106.0 2.0 -3.7 4.6 31 31 A K - 0 0 53 18,-0.0 -1,-0.1 150,-0.0 -5,-0.0 0.629 56.7-118.1-118.2 -79.0 5.4 -4.6 3.1 32 32 A S S > S+ 0 0 44 0, 0.0 4,-2.6 0, 0.0 5,-0.1 -0.172 99.6 53.2 164.5 -54.6 8.4 -3.9 5.3 33 33 A Q H > S+ 0 0 60 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.917 108.6 51.5 -71.0 -45.9 10.6 -1.3 3.6 34 34 A D H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.965 120.0 34.4 -54.4 -58.6 7.8 1.2 3.1 35 35 A M H > S+ 0 0 26 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.925 115.0 56.7 -62.8 -47.4 6.8 1.0 6.7 36 36 A S H X S+ 0 0 62 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.784 110.2 48.6 -54.7 -28.1 10.3 0.6 7.9 37 37 A W H X S+ 0 0 34 -4,-1.9 4,-1.2 -3,-0.3 -2,-0.2 0.963 110.1 47.8 -75.7 -57.0 11.0 3.8 6.1 38 38 A L H >X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-1.1 0.928 117.6 43.4 -47.6 -54.2 8.1 5.7 7.5 39 39 A S H >< S+ 0 0 55 -4,-3.3 3,-0.5 1,-0.3 -1,-0.2 0.938 106.3 60.2 -57.6 -50.6 9.0 4.6 11.0 40 40 A G H 3< S+ 0 0 70 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.718 110.2 45.3 -50.4 -21.8 12.7 5.2 10.4 41 41 A Q H << S- 0 0 99 -4,-1.2 -1,-0.3 -3,-1.1 -2,-0.2 0.777 125.7-102.3 -91.5 -33.2 11.5 8.8 9.8 42 42 A G << + 0 0 41 -4,-1.6 2,-0.3 -3,-0.5 -21,-0.2 0.802 67.6 139.0 107.3 65.0 9.3 8.9 12.9 43 43 A Y - 0 0 20 -5,-0.2 2,-1.7 -22,-0.2 -1,-0.2 -0.890 63.0 -95.9-133.9 163.6 5.7 8.5 11.8 44 44 A H E -a 23 0A 80 -22,-2.4 -20,-2.6 -2,-0.3 2,-1.0 -0.618 42.7-169.2 -81.9 85.3 2.5 6.7 13.0 45 45 A V E +a 24 0A 6 -2,-1.7 38,-2.6 -22,-0.2 2,-0.4 -0.684 20.0 156.4 -81.0 103.3 2.8 3.6 10.8 46 46 A V E +ac 25 83A 14 -22,-3.2 -20,-1.1 -2,-1.0 2,-0.3 -0.951 15.3 116.2-134.9 112.6 -0.6 1.9 11.2 47 47 A G E -ac 26 84A 0 36,-1.7 38,-2.3 -2,-0.4 2,-0.3 -0.862 49.5-107.7-155.6-172.8 -1.9 -0.5 8.6 48 48 A A E - c 0 85A 0 -22,-2.3 -18,-1.2 36,-0.3 2,-0.7 -0.888 17.4-130.4-129.0 159.2 -2.9 -4.0 7.8 49 49 A E E - c 0 86A 13 36,-2.2 2,-4.4 -2,-0.3 38,-2.9 -0.863 11.8-151.2-114.8 96.0 -1.3 -6.8 5.8 50 50 A L E + c 0 87A 78 -2,-0.7 2,-0.3 36,-0.1 38,-0.2 -0.270 66.3 105.4 -63.0 64.6 -3.9 -8.4 3.4 51 51 A S > + 0 0 41 -2,-4.4 4,-2.0 36,-1.2 -2,-0.1 -0.825 42.8 178.7-152.9 107.2 -2.0 -11.6 3.6 52 52 A E H > S+ 0 0 87 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.979 89.7 48.2 -70.4 -59.7 -3.2 -14.6 5.6 53 53 A A H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.822 111.2 56.9 -49.9 -33.3 -0.4 -17.0 4.8 54 54 A A H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.977 103.1 49.4 -62.5 -58.4 1.8 -14.1 5.7 55 55 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.3 -2,-0.2 0.875 111.3 52.4 -47.6 -42.6 0.4 -13.7 9.2 56 56 A E H X S+ 0 0 92 -4,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.905 105.9 52.5 -60.9 -44.0 1.0 -17.4 9.6 57 57 A R H X S+ 0 0 134 -4,-2.1 4,-2.0 -3,-0.4 -1,-0.2 0.830 110.8 48.8 -61.0 -33.3 4.6 -17.0 8.5 58 58 A Y H X S+ 0 0 46 -4,-2.1 4,-2.2 2,-0.2 5,-0.4 0.829 110.9 49.1 -75.2 -34.2 5.0 -14.4 11.1 59 59 A F H X S+ 0 0 29 -4,-2.0 4,-0.8 -5,-0.2 5,-0.3 0.748 115.9 44.0 -75.7 -25.5 3.4 -16.5 13.8 60 60 A T H < S+ 0 0 116 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.805 116.5 45.3 -86.7 -34.6 5.6 -19.4 12.8 61 61 A E H < S+ 0 0 131 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.874 129.1 26.9 -75.3 -39.9 8.8 -17.3 12.6 62 62 A R H < S- 0 0 142 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.791 98.9-136.3 -90.5 -34.5 8.1 -15.5 15.8 63 63 A G < - 0 0 40 -4,-0.8 -3,-0.2 -5,-0.4 -4,-0.2 0.857 62.8 -52.6 78.7 38.6 6.1 -18.2 17.4 64 64 A E S S+ 0 0 144 -5,-0.3 3,-0.1 -6,-0.3 -5,-0.0 0.302 82.0 128.4 75.6 151.9 3.4 -15.9 18.7 65 65 A Q + 0 0 177 1,-0.6 -6,-0.1 14,-0.0 3,-0.0 -0.134 55.2 78.2 161.9 -49.1 3.9 -12.8 20.8 66 66 A P S S- 0 0 20 0, 0.0 2,-1.1 0, 0.0 -1,-0.6 -0.016 99.5 -71.0 -75.0-175.7 2.1 -9.9 19.2 67 67 A H E -D 78 0A 152 11,-2.3 11,-2.3 -3,-0.1 2,-0.5 -0.711 54.1-168.7 -84.3 101.1 -1.7 -9.3 19.3 68 68 A I E -D 77 0A 61 -2,-1.1 2,-0.3 9,-0.2 9,-0.2 -0.816 6.7-177.5 -95.4 126.0 -3.2 -12.0 17.2 69 69 A T E -D 76 0A 64 7,-1.2 7,-2.1 -2,-0.5 2,-0.8 -0.917 25.1-133.8-124.3 150.1 -6.9 -11.5 16.4 70 70 A S E -D 75 0A 101 -2,-0.3 2,-1.0 5,-0.2 5,-0.2 -0.864 22.2-179.4-106.7 100.1 -9.3 -13.6 14.5 71 71 A Q E > -D 74 0A 87 3,-1.6 3,-3.0 -2,-0.8 2,-0.5 -0.748 57.1 -81.1-101.5 85.3 -11.3 -11.5 12.0 72 72 A G T 3 S- 0 0 69 -2,-1.0 -1,-0.0 1,-0.3 0, 0.0 -0.430 112.6 -10.2 61.4-111.8 -13.6 -13.9 10.3 73 73 A D T 3 S+ 0 0 137 -2,-0.5 -1,-0.3 2,-0.1 2,-0.2 0.494 134.9 66.6 -94.4 -7.6 -11.6 -15.6 7.7 74 74 A F E < S-D 71 0A 90 -3,-3.0 -3,-1.6 -22,-0.0 2,-0.3 -0.571 72.6-137.2-108.5 173.1 -8.8 -13.1 8.2 75 75 A K E -D 70 0A 70 -5,-0.2 13,-2.1 -2,-0.2 2,-0.3 -0.765 1.9-145.1-125.3 170.9 -6.4 -12.4 11.1 76 76 A V E +DE 69 87A 24 -7,-2.1 -7,-1.2 -2,-0.3 2,-0.8 -0.807 17.0 177.2-143.5 96.5 -5.1 -9.3 12.8 77 77 A Y E +DE 68 86A 8 9,-1.6 9,-2.2 -2,-0.3 2,-0.3 -0.860 10.3 180.0-105.7 101.0 -1.5 -9.5 14.1 78 78 A A E -D 67 0A 30 -11,-2.3 -11,-2.3 -2,-0.8 7,-0.2 -0.721 12.2-149.0-100.1 150.5 -0.5 -6.1 15.5 79 79 A A - 0 0 19 3,-1.0 5,-0.1 -2,-0.3 -2,-0.0 -0.798 21.0-127.9-117.0 159.5 2.9 -5.4 17.1 80 80 A P S S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.744 110.3 51.0 -74.9 -25.1 4.0 -3.1 19.9 81 81 A G S S+ 0 0 74 1,-0.1 2,-0.3 3,-0.1 -3,-0.0 0.953 123.4 13.4 -75.7 -54.2 6.6 -1.5 17.6 82 82 A I S S- 0 0 25 2,-0.1 -3,-1.0 -38,-0.1 2,-0.4 -0.780 72.6-120.2-121.0 165.4 4.4 -0.8 14.6 83 83 A E E +c 46 0A 82 -38,-2.6 -36,-1.7 -2,-0.3 2,-0.6 -0.348 64.4 133.8-100.5 50.0 0.6 -0.7 14.1 84 84 A I E -c 47 0A 8 -2,-0.4 2,-0.8 -38,-0.2 -36,-0.3 -0.907 38.8-163.6-106.0 117.6 0.7 -3.3 11.4 85 85 A W E -c 48 0A 18 -38,-2.3 -36,-2.2 -2,-0.6 -7,-0.3 -0.876 15.3-143.2-103.6 104.5 -2.0 -6.0 11.8 86 86 A C E S+cE 49 77A 0 -9,-2.2 -9,-1.6 -2,-0.8 2,-0.4 -0.485 71.6 42.7 -68.2 130.9 -1.0 -9.0 9.6 87 87 A G E S-cE 50 76A 2 -38,-2.9 -36,-1.2 -2,-0.2 2,-0.3 -0.908 106.4 -3.9 141.6-109.7 -4.1 -10.5 8.0 88 88 A D - 0 0 14 -13,-2.1 2,-0.5 -2,-0.4 -39,-0.3 -0.775 53.3-138.1-118.8 164.0 -7.0 -8.5 6.6 89 89 A F + 0 0 13 -2,-0.3 -41,-0.1 -41,-0.2 -13,-0.0 -0.922 62.8 94.1-128.9 105.9 -7.7 -4.8 6.4 90 90 A F S S+ 0 0 140 -2,-0.5 -1,-0.1 -63,-0.0 -2,-0.0 0.069 72.6 58.3 176.2 51.4 -11.2 -3.6 7.1 91 91 A A S S+ 0 0 71 -3,-0.1 -3,-0.0 -20,-0.0 -2,-0.0 0.069 78.8 80.4 179.2 44.2 -11.7 -2.6 10.7 92 92 A L S >S- 0 0 22 -46,-0.0 5,-0.5 -44,-0.0 4,-0.0 0.287 86.6-128.1-137.4 -1.2 -9.2 0.1 11.6 93 93 A T T >>5 - 0 0 45 1,-0.2 4,-2.4 3,-0.1 3,-0.6 0.945 12.3-153.4 44.6 82.7 -11.0 3.1 10.1 94 94 A A H 3>5S+ 0 0 0 1,-0.3 4,-1.2 2,-0.2 5,-0.2 0.641 95.3 61.0 -57.5 -12.6 -8.3 4.5 7.9 95 95 A R H 3>5S+ 0 0 143 3,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.915 104.8 42.0 -80.0 -47.9 -10.2 7.7 8.5 96 96 A D H <45S+ 0 0 103 -3,-0.6 -2,-0.2 2,-0.2 -3,-0.1 0.939 126.8 34.5 -63.8 -49.0 -9.8 7.8 12.3 97 97 A I H < + 0 0 14 9,-0.0 3,-1.5 4,-0.0 4,-0.4 0.566 64.1 52.0-130.7 -48.3 -4.4 -4.0 -4.7 109 109 A M G > S+ 0 0 0 1,-0.3 3,-1.1 -3,-0.3 8,-0.1 0.758 101.3 65.6 -65.5 -25.5 -7.1 -2.7 -6.9 110 110 A I G 3 S+ 0 0 1 1,-0.3 41,-2.2 43,-0.1 -1,-0.3 0.685 94.9 59.3 -69.3 -18.1 -5.1 -3.8 -9.9 111 111 A A G < S+ 0 0 56 -3,-1.5 -1,-0.3 39,-0.2 -2,-0.2 0.645 107.0 56.5 -82.8 -17.2 -5.7 -7.3 -8.6 112 112 A L S < S- 0 0 41 -3,-1.1 39,-0.2 -4,-0.4 -4,-0.0 -0.557 93.5 -95.4-108.3 174.3 -9.4 -6.7 -9.0 113 113 A P > - 0 0 53 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.090 43.6 -92.7 -75.0-168.0 -11.6 -5.7 -11.9 114 114 A A H > S+ 0 0 39 2,-0.2 4,-3.0 3,-0.2 5,-0.3 0.988 122.1 48.1 -71.9 -64.6 -12.7 -2.2 -12.8 115 115 A D H > S+ 0 0 123 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.908 117.8 42.9 -39.5 -60.6 -16.1 -2.2 -11.0 116 116 A M H > S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.854 111.3 57.2 -55.9 -37.9 -14.4 -3.5 -7.9 117 117 A R H X S+ 0 0 12 -4,-1.3 4,-3.0 2,-0.2 5,-0.3 0.923 107.7 46.0 -59.3 -47.3 -11.5 -1.1 -8.5 118 118 A E H X S+ 0 0 54 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.880 113.8 48.9 -63.1 -40.0 -13.9 1.9 -8.5 119 119 A R H X S+ 0 0 151 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.760 113.2 50.0 -70.5 -25.9 -15.6 0.5 -5.4 120 120 A Y H X S+ 0 0 36 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.960 113.0 41.4 -76.0 -56.3 -12.1 0.0 -3.8 121 121 A V H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.910 120.4 46.1 -57.5 -44.7 -10.7 3.5 -4.5 122 122 A Q H X S+ 0 0 64 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.918 111.8 50.3 -64.0 -45.8 -14.0 5.0 -3.5 123 123 A H H X S+ 0 0 96 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.865 115.1 45.7 -60.0 -37.7 -14.3 2.8 -0.5 124 124 A L H X S+ 0 0 3 -4,-2.8 4,-2.0 2,-0.2 3,-0.3 0.991 112.9 45.5 -68.2 -64.1 -10.8 3.9 0.5 125 125 A E H < S+ 0 0 33 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.727 114.0 56.0 -51.7 -22.1 -11.1 7.6 -0.2 126 126 A A H < S+ 0 0 66 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.941 117.2 30.0 -75.7 -51.2 -14.4 7.2 1.7 127 127 A L H < S+ 0 0 38 -4,-2.2 -29,-0.2 -3,-0.3 -2,-0.2 0.430 105.5 111.7 -86.5 -0.9 -12.8 5.7 4.8 128 128 A M S < S- 0 0 6 -4,-2.0 -33,-0.1 -5,-0.1 -3,-0.1 -0.045 74.2 -96.6 -65.7 173.5 -9.7 7.7 4.0 129 129 A P - 0 0 3 0, 0.0 -29,-0.2 0, 0.0 3,-0.1 0.210 27.1-114.3 -75.1-159.4 -8.5 10.7 6.1 130 130 A Q S S+ 0 0 136 -31,-2.4 2,-0.3 -35,-0.2 -30,-0.2 0.727 100.4 13.9-109.2 -39.1 -9.2 14.4 5.5 131 131 A A E S+f 100 0A 59 -32,-2.3 -30,-1.8 70,-0.2 2,-0.3 -0.758 87.7 122.8-144.4 91.7 -5.7 15.6 4.8 132 132 A C E -fG 101 200A 6 68,-1.9 68,-1.7 -32,-0.3 2,-0.8 -0.979 57.1-116.4-148.5 154.8 -3.1 13.0 4.1 133 133 A S E -fG 102 199A 16 -32,-2.5 -30,-1.9 -2,-0.3 2,-0.3 -0.856 32.5-166.3 -99.5 109.9 -0.7 12.2 1.2 134 134 A G E -fG 103 198A 0 64,-2.7 64,-2.6 -2,-0.8 2,-0.5 -0.759 5.6-163.9 -98.2 141.9 -1.5 8.8 -0.3 135 135 A L E -fG 104 197A 3 -32,-2.2 -30,-2.7 -2,-0.3 2,-0.3 -0.965 5.5-157.4-129.5 114.0 0.9 7.0 -2.6 136 136 A L E -fG 105 196A 0 60,-2.8 60,-2.3 -2,-0.5 2,-0.6 -0.712 1.4-158.5 -91.6 139.8 -0.4 4.1 -4.8 137 137 A I E +fG 106 195A 7 -32,-1.7 -30,-2.5 -2,-0.3 58,-0.2 -0.910 21.0 168.0-122.8 101.8 2.1 1.5 -6.0 138 138 A T E - G 0 194A 0 56,-1.9 56,-1.0 -2,-0.6 2,-0.3 -0.504 14.6-156.6-105.4 175.7 0.9 -0.4 -9.1 139 139 A L E - 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