==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-AUG-04 1U87 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 26 KDA; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA JAPONICUM; . AUTHOR A.W.SMITH,A.CAMARA-ARTIGAS . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.3 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 0.5 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 . 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 . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 1 0 2 2 2 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 . 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 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 M 0 0 213 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.2 91.4 -14.7 -51.4 2 2 A S - 0 0 49 1,-0.1 27,-0.4 59,-0.0 26,-0.1 -0.889 360.0 -81.1-104.2 119.5 90.1 -15.9 -48.0 3 3 A P - 0 0 25 0, 0.0 26,-2.2 0, 0.0 2,-0.4 0.476 38.7-152.0 -12.9 140.3 91.2 -19.4 -46.8 4 4 A I E -aB 29 59A 38 55,-1.7 55,-2.2 24,-0.2 2,-0.4 -0.919 11.7-173.8-133.4 107.0 89.4 -22.5 -48.1 5 5 A L E -aB 30 58A 1 24,-1.9 26,-2.2 -2,-0.4 2,-0.3 -0.821 5.9-176.4-103.2 139.2 89.2 -25.6 -45.9 6 6 A G E +aB 31 57A 1 51,-2.7 51,-2.2 -2,-0.4 2,-0.3 -0.964 19.9 123.7-137.4 152.8 87.8 -28.9 -47.1 7 7 A F E -a 32 0A 11 24,-1.6 26,-0.8 -2,-0.3 48,-0.0 -0.918 63.6 -62.4 177.6 176.2 87.1 -32.3 -45.7 8 8 A W E -a 33 0A 54 -2,-0.3 2,-0.5 24,-0.2 26,-0.1 0.142 62.4 -93.1 -60.1-166.1 84.0 -34.6 -45.3 9 9 A K S S+ 0 0 83 24,-0.8 2,-0.2 23,-0.1 -1,-0.1 -0.665 94.7 67.3-117.3 73.8 81.1 -33.3 -43.2 10 10 A I S S- 0 0 3 -2,-0.5 193,-0.2 1,-0.1 189,-0.1 -0.647 88.9 -93.4-155.1-148.8 81.9 -34.8 -39.8 11 11 A K >> + 0 0 2 191,-0.7 4,-1.9 -2,-0.2 3,-1.6 0.767 66.0 129.6-111.8 -52.6 84.5 -34.4 -37.0 12 12 A G T 34 S- 0 0 7 191,-2.3 192,-0.0 1,-0.3 191,-0.0 -0.009 93.3 -32.5 34.9-111.9 87.2 -36.9 -37.7 13 13 A L T 34 S+ 0 0 66 2,-0.1 4,-0.3 1,-0.1 -1,-0.3 0.341 129.5 72.2-119.4 5.8 90.5 -35.0 -37.6 14 14 A V T X> S+ 0 0 1 -3,-1.6 4,-2.4 2,-0.1 3,-0.9 0.806 78.7 76.4 -89.9 -30.4 89.4 -31.7 -38.9 15 15 A Q H 3X S+ 0 0 7 -4,-1.9 4,-2.8 1,-0.3 5,-0.3 0.884 89.8 54.6 -47.5 -53.7 87.4 -30.5 -35.9 16 16 A P H 3> S+ 0 0 9 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.894 113.1 46.6 -50.6 -35.5 90.5 -29.6 -33.8 17 17 A T H <> S+ 0 0 3 -3,-0.9 4,-2.4 -4,-0.3 -2,-0.3 0.900 109.4 53.2 -72.9 -41.7 91.4 -27.5 -36.7 18 18 A R H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.980 109.8 47.7 -55.0 -58.5 87.9 -26.0 -37.0 19 19 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.911 111.7 50.0 -48.7 -54.2 87.9 -25.0 -33.3 20 20 A L H X S+ 0 0 1 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.955 110.6 47.7 -51.9 -59.2 91.3 -23.4 -33.6 21 21 A L H ><>S+ 0 0 2 -4,-2.4 5,-1.1 1,-0.3 3,-1.1 0.941 114.3 48.7 -45.9 -56.1 90.5 -21.3 -36.7 22 22 A E H ><5S+ 0 0 29 -4,-2.7 3,-1.8 1,-0.3 -1,-0.3 0.854 106.0 57.6 -50.2 -44.6 87.3 -20.2 -35.0 23 23 A Y H 3<5S+ 0 0 54 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.815 106.4 48.6 -57.2 -36.5 89.2 -19.3 -31.8 24 24 A L T <<5S- 0 0 38 -4,-1.7 -1,-0.3 -3,-1.1 -2,-0.2 0.248 111.3-121.4 -90.3 12.5 91.4 -16.9 -33.8 25 25 A E T < 5 + 0 0 160 -3,-1.8 2,-0.2 -5,-0.2 -3,-0.2 0.950 53.8 171.6 43.8 58.6 88.3 -15.3 -35.4 26 26 A E < - 0 0 80 -5,-1.1 2,-0.5 -6,-0.1 -1,-0.1 -0.629 34.9-117.0 -97.5 159.4 89.7 -16.3 -38.8 27 27 A K + 0 0 150 -2,-0.2 2,-0.3 2,-0.0 -5,-0.0 -0.834 48.5 143.5 -99.2 128.2 88.0 -16.0 -42.1 28 28 A Y - 0 0 30 -2,-0.5 2,-0.3 -26,-0.1 -24,-0.2 -0.961 37.6-139.5-164.8 146.5 87.4 -19.2 -44.1 29 29 A E E -a 4 0A 140 -26,-2.2 -24,-1.9 -27,-0.4 2,-0.4 -0.822 24.8-133.5-106.8 147.7 84.9 -21.0 -46.3 30 30 A E E -a 5 0A 49 -2,-0.3 2,-0.8 -26,-0.2 -24,-0.2 -0.873 9.7-159.0-113.2 133.2 84.1 -24.7 -46.0 31 31 A H E -a 6 0A 77 -26,-2.2 -24,-1.6 -2,-0.4 2,-0.5 -0.894 24.3-177.0-102.4 104.7 83.8 -27.4 -48.7 32 32 A L E -a 7 0A 49 -2,-0.8 2,-0.4 -26,-0.2 -24,-0.2 -0.919 13.5-158.5-114.5 128.0 81.7 -30.2 -47.2 33 33 A Y E -a 8 0A 8 -26,-0.8 -24,-0.8 -2,-0.5 5,-0.1 -0.808 17.6-135.3-100.7 137.4 80.9 -33.5 -48.9 34 34 A E - 0 0 68 -2,-0.4 -1,-0.1 -26,-0.1 -25,-0.1 0.029 32.4 -90.0 -80.3-171.2 77.8 -35.5 -47.8 35 35 A R S S+ 0 0 190 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.699 130.2 34.6 -72.6 -21.5 77.3 -39.2 -47.0 36 36 A D S S+ 0 0 119 1,-0.1 3,-0.3 2,-0.0 -1,-0.2 0.624 98.0 78.9-106.7 -20.6 76.4 -39.7 -50.7 37 37 A E >> + 0 0 43 1,-0.2 4,-1.3 2,-0.1 3,-0.8 0.198 53.9 126.9 -76.9 19.9 78.7 -37.2 -52.4 38 38 A G H 3> S+ 0 0 14 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.470 78.1 41.4 -57.5 -1.3 81.5 -39.7 -51.9 39 39 A D H 3> S+ 0 0 93 -3,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.588 94.5 73.9-116.5 -26.9 82.2 -39.3 -55.7 40 40 A K H <> S+ 0 0 115 -3,-0.8 4,-1.0 1,-0.2 -2,-0.2 0.843 107.8 44.0 -54.7 -28.2 81.8 -35.6 -55.9 41 41 A W H X S+ 0 0 26 -4,-1.3 4,-2.1 2,-0.2 3,-0.2 0.977 100.5 62.8 -75.5 -67.7 85.1 -35.9 -54.1 42 42 A R H < S+ 0 0 178 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.673 105.5 53.8 -32.7 -27.6 86.7 -38.7 -56.2 43 43 A N H >X S+ 0 0 101 -4,-1.6 3,-1.0 1,-0.1 4,-0.7 0.985 113.3 33.7 -77.1 -65.6 86.5 -36.2 -59.1 44 44 A K H 3X S+ 0 0 89 -4,-1.0 4,-1.6 1,-0.3 -2,-0.2 0.582 87.2 108.1 -67.9 -8.1 88.2 -33.1 -57.8 45 45 A K H 3< S+ 0 0 75 -4,-2.1 -1,-0.3 1,-0.2 5,-0.2 0.694 100.4 14.7 -43.6 -21.9 90.6 -35.3 -55.9 46 46 A F H X4 S+ 0 0 146 -3,-1.0 3,-1.8 -4,-0.1 4,-0.3 0.659 109.1 79.7-121.0 -39.0 93.2 -34.3 -58.4 47 47 A E H 3< S+ 0 0 151 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.706 87.0 69.6 -43.0 -26.1 91.7 -31.3 -60.2 48 48 A L T 3< S- 0 0 40 -4,-1.6 -1,-0.3 2,-0.1 -3,-0.1 0.784 103.9-118.0 -70.4 -35.0 92.8 -29.3 -57.1 49 49 A G < + 0 0 47 -3,-1.8 2,-0.5 1,-0.3 -2,-0.1 0.754 55.7 152.5 100.1 27.8 96.6 -29.3 -57.4 50 50 A L - 0 0 12 -4,-0.3 -1,-0.3 -5,-0.2 15,-0.1 -0.774 40.6-150.4 -91.2 131.0 97.5 -31.1 -54.2 51 51 A E S S+ 0 0 178 -2,-0.5 -1,-0.1 13,-0.4 14,-0.1 0.581 100.7 29.9 -77.0 -6.3 100.8 -32.9 -54.5 52 52 A F S S- 0 0 155 2,-0.1 -1,-0.3 -6,-0.0 15,-0.2 -0.248 88.4-157.8-146.9 55.1 99.3 -35.3 -52.0 53 53 A P + 0 0 29 0, 0.0 2,-0.3 0, 0.0 13,-0.1 0.052 40.1 109.9 -37.6 132.8 95.5 -35.4 -52.5 54 54 A N - 0 0 82 13,-0.0 -2,-0.1 -9,-0.0 -4,-0.0 -0.951 60.0 -36.6 177.4-172.3 93.6 -36.6 -49.4 55 55 A L S S+ 0 0 20 -2,-0.3 13,-0.3 1,-0.1 -48,-0.1 -0.984 106.2 25.9-130.5 135.5 91.3 -35.3 -46.7 56 56 A P S S- 0 0 1 0, 0.0 11,-0.4 0, 0.0 2,-0.3 0.514 76.6-179.2 -83.8 166.7 91.2 -32.8 -45.2 57 57 A Y E -B 6 0A 0 -51,-2.2 -51,-2.7 9,-0.2 2,-0.4 -0.879 12.1-160.3-127.2 159.2 92.8 -30.2 -47.5 58 58 A Y E -BC 5 65A 11 7,-2.0 7,-3.0 -2,-0.3 2,-0.5 -0.986 2.5-165.4-145.2 127.9 93.5 -26.5 -47.2 59 59 A I E +BC 4 64A 23 -55,-2.2 -55,-1.7 -2,-0.4 5,-0.2 -0.968 12.6 170.9-119.6 118.5 94.2 -23.9 -49.9 60 60 A D - 0 0 30 3,-2.7 4,-0.1 -2,-0.5 -1,-0.1 0.432 50.1-121.7-101.0 -6.6 95.7 -20.6 -48.8 61 61 A G S S+ 0 0 67 2,-0.9 3,-0.1 1,-0.1 -2,-0.0 0.535 118.9 62.3 71.5 -0.2 96.4 -19.3 -52.3 62 62 A D S S+ 0 0 127 1,-0.5 2,-0.3 0, 0.0 -1,-0.1 0.458 118.3 9.7-122.9 -27.2 99.8 -19.3 -50.7 63 63 A V - 0 0 44 2,-0.0 -3,-2.7 0, 0.0 -2,-0.9 -0.975 55.0-145.6-152.8 162.7 99.8 -23.0 -50.1 64 64 A K E -C 59 0A 104 -2,-0.3 -13,-0.4 -5,-0.2 2,-0.3 -0.883 33.6-176.5-134.5 99.2 98.0 -26.3 -51.0 65 65 A L E +C 58 0A 43 -7,-3.0 -7,-2.0 -2,-0.4 2,-0.3 -0.741 19.5 177.5-109.6 149.5 98.1 -28.7 -48.0 66 66 A T + 0 0 13 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.759 51.6 72.9-128.1 175.1 97.0 -32.2 -47.3 67 67 A Q S > S- 0 0 115 -11,-0.4 4,-1.6 -2,-0.3 3,-0.2 0.789 72.7-128.0 76.5 107.1 97.6 -34.1 -44.1 68 68 A S H > S+ 0 0 10 -13,-0.3 4,-1.8 1,-0.2 5,-0.2 0.873 105.2 52.3 -53.0 -47.1 95.4 -32.9 -41.2 69 69 A M H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 108.1 52.1 -61.7 -37.8 98.2 -32.4 -38.7 70 70 A A H > S+ 0 0 42 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.848 106.9 54.7 -65.9 -32.9 100.1 -30.3 -41.2 71 71 A I H X S+ 0 0 1 -4,-1.6 4,-2.1 -3,-0.2 -1,-0.2 0.913 109.8 43.7 -66.1 -45.6 97.1 -28.1 -41.8 72 72 A I H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.844 111.6 53.0 -70.6 -35.4 96.5 -27.2 -38.1 73 73 A R H X S+ 0 0 73 -4,-1.9 4,-4.1 -5,-0.2 5,-0.2 0.921 108.4 52.2 -66.0 -42.1 100.2 -26.6 -37.4 74 74 A Y H X S+ 0 0 46 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.984 107.8 49.0 -55.5 -61.1 100.3 -24.2 -40.4 75 75 A I H < S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.847 117.1 45.9 -47.8 -36.0 97.3 -22.2 -39.1 76 76 A A H ><>S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 5,-0.8 0.976 106.4 54.6 -70.0 -58.6 99.1 -22.1 -35.8 77 77 A D H ><5S+ 0 0 94 -4,-4.1 3,-1.1 1,-0.3 -2,-0.2 0.723 97.2 68.7 -48.5 -26.3 102.5 -21.2 -37.2 78 78 A K T 3<5S+ 0 0 127 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 0.041 104.8 42.5 -85.0 28.4 100.8 -18.2 -38.8 79 79 A H T < 5S- 0 0 63 -3,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.088 113.5-106.2-158.5 24.2 100.3 -16.8 -35.3 80 80 A N T X 5S+ 0 0 150 -3,-1.1 3,-1.2 1,-0.1 -3,-0.2 0.281 88.9 120.6 63.9 -15.1 103.6 -17.4 -33.4 81 81 A M T 3 < + 0 0 38 -5,-0.8 -4,-0.2 1,-0.2 69,-0.2 0.395 51.8 75.7 -62.4 2.5 101.7 -20.2 -31.6 82 82 A L T 3 S- 0 0 19 -6,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.851 106.9 -73.6 -85.0 -33.5 104.0 -23.0 -32.7 83 83 A G < - 0 0 27 -3,-1.2 -1,-0.2 1,-0.1 4,-0.0 -0.981 19.5-120.1 172.6-160.4 106.9 -22.2 -30.4 84 84 A G S S- 0 0 63 1,-0.5 -1,-0.1 -2,-0.3 3,-0.0 0.384 88.8 -4.0-142.0 -36.0 109.8 -19.9 -29.5 85 85 A C S >> S- 0 0 62 1,-0.1 4,-2.0 0, 0.0 3,-0.8 -0.987 84.5 -81.0-160.0 161.0 112.7 -22.3 -29.7 86 86 A P H 3> S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.793 123.0 52.8 -30.9 -54.2 113.6 -26.0 -30.2 87 87 A K H 34 S+ 0 0 157 1,-0.2 4,-0.4 2,-0.2 -4,-0.0 0.928 113.7 39.5 -56.7 -50.7 112.7 -26.9 -26.6 88 88 A E H X> S+ 0 0 71 -3,-0.8 4,-1.5 1,-0.2 3,-1.3 0.938 114.3 52.2 -67.3 -46.7 109.2 -25.4 -26.5 89 89 A R H 3X S+ 0 0 110 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.872 108.7 50.1 -57.5 -40.1 108.2 -26.5 -30.1 90 90 A A H 3X S+ 0 0 60 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.3 0.651 106.5 60.4 -72.9 -11.9 109.1 -30.1 -29.4 91 91 A E H <> S+ 0 0 51 -3,-1.3 4,-2.4 -4,-0.4 -2,-0.2 0.847 104.9 44.1 -82.5 -36.7 107.0 -29.7 -26.2 92 92 A I H X S+ 0 0 4 -4,-1.5 4,-3.8 -10,-0.2 -2,-0.2 0.884 111.7 55.2 -73.1 -37.4 103.8 -28.9 -28.0 93 93 A S H X S+ 0 0 36 -4,-1.9 4,-3.5 2,-0.2 5,-0.4 0.954 107.9 49.0 -57.6 -48.7 104.6 -31.7 -30.4 94 94 A M H X S+ 0 0 110 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.944 113.7 45.0 -55.3 -50.8 104.9 -34.0 -27.4 95 95 A L H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.910 115.1 52.5 -57.6 -41.1 101.6 -32.7 -26.2 96 96 A E H >X S+ 0 0 13 -4,-3.8 4,-2.1 1,-0.2 3,-0.8 0.993 110.4 42.2 -56.5 -71.2 100.4 -33.1 -29.8 97 97 A G H 3X S+ 0 0 33 -4,-3.5 4,-1.4 1,-0.2 -1,-0.2 0.657 112.4 60.1 -54.0 -15.1 101.4 -36.7 -30.3 98 98 A A H 3X S+ 0 0 31 -4,-1.2 4,-0.8 -5,-0.4 -1,-0.2 0.898 104.2 45.0 -79.6 -45.0 100.0 -37.3 -26.7 99 99 A V H S+ 0 0 31 -4,-2.1 4,-2.5 1,-0.2 5,-0.6 0.960 90.8 63.7 -58.8 -52.4 96.8 -38.3 -30.6 101 101 A D H X5S+ 0 0 106 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.809 107.9 43.9 -39.7 -43.0 97.3 -41.5 -28.7 102 102 A I H X5S+ 0 0 2 -4,-0.8 4,-1.2 -3,-0.5 -1,-0.2 0.997 116.9 43.1 -66.4 -68.4 93.9 -41.2 -27.3 103 103 A R H >X5S+ 0 0 21 -4,-1.7 3,-1.4 1,-0.3 4,-0.8 0.878 116.9 43.3 -45.1 -60.5 92.1 -40.1 -30.5 104 104 A Y H >X5S+ 0 0 85 -4,-2.5 4,-3.0 1,-0.3 3,-1.9 0.928 109.4 59.6 -57.1 -39.6 93.7 -42.5 -33.0 105 105 A G H 3<4 S+ 0 0 17 -5,-0.3 3,-2.6 -4,-0.2 -2,-0.2 0.664 103.4 80.8-122.7 -64.2 88.8 -49.7 -33.4 110 110 A A H 3< S+ 0 0 13 -4,-1.1 99,-1.6 1,-0.3 -3,-0.1 0.591 101.2 46.7 -23.7 -31.3 85.6 -47.7 -33.9 111 111 A Y T 3< S+ 0 0 120 -4,-1.1 -1,-0.3 97,-0.2 -3,-0.1 0.852 100.6 78.8 -86.5 -37.9 85.5 -48.9 -37.5 112 112 A S S < S- 0 0 59 -3,-2.6 3,-0.2 -5,-0.4 97,-0.1 0.322 85.9-113.4 -55.4-166.8 86.2 -52.6 -36.9 113 113 A K S S+ 0 0 184 1,-0.1 2,-0.7 2,-0.1 3,-0.3 0.782 101.8 64.3-104.9 -37.7 83.6 -55.1 -35.6 114 114 A D >> + 0 0 92 1,-0.2 4,-3.2 2,-0.1 3,-0.5 -0.095 64.3 128.4 -81.7 37.9 84.8 -56.2 -32.1 115 115 A F H >> S+ 0 0 40 -2,-0.7 4,-3.4 2,-0.3 3,-1.4 0.986 72.8 47.3 -52.4 -74.5 84.2 -52.6 -30.8 116 116 A E H 34 S+ 0 0 129 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.655 121.8 42.7 -42.4 -16.7 82.1 -53.6 -27.8 117 117 A T H <4 S+ 0 0 100 -3,-0.5 4,-0.5 2,-0.1 -1,-0.3 0.716 118.9 39.1-104.1 -28.9 84.9 -56.2 -27.4 118 118 A L H X S+ 0 0 49 -4,-3.4 4,-3.9 -5,-0.3 3,-0.8 0.882 97.5 54.8 -62.8 -37.5 86.8 -50.9 -26.3 120 120 A V H 3> S+ 0 0 93 -5,-0.4 4,-1.1 1,-0.3 -1,-0.2 0.933 105.9 52.0 -59.0 -44.0 87.0 -52.7 -23.0 121 121 A D H 34 S+ 0 0 104 -4,-0.5 4,-0.3 2,-0.2 -1,-0.3 0.651 115.9 42.5 -66.2 -16.6 90.7 -53.5 -23.9 122 122 A F H XX S+ 0 0 20 -3,-0.8 3,-2.2 -4,-0.7 4,-1.8 0.889 106.9 57.1 -92.1 -57.8 91.1 -49.8 -24.6 123 123 A L H 3< S+ 0 0 44 -4,-3.9 -2,-0.2 1,-0.3 -3,-0.2 0.656 99.3 64.0 -49.6 -19.3 89.2 -48.4 -21.5 124 124 A S T 3< S+ 0 0 84 -4,-1.1 -1,-0.3 -5,-0.3 4,-0.2 0.880 114.8 29.5 -74.0 -37.0 91.6 -50.4 -19.4 125 125 A K T X> S+ 0 0 121 -3,-2.2 4,-0.8 -4,-0.3 3,-0.6 0.550 99.5 88.6 -97.9 -12.0 94.5 -48.4 -20.6 126 126 A L H >X S+ 0 0 1 -4,-1.8 3,-2.4 1,-0.2 4,-1.8 0.958 84.6 51.8 -51.2 -62.7 92.6 -45.1 -21.2 127 127 A P H 3> S+ 0 0 48 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.714 99.2 64.7 -48.0 -29.9 93.0 -43.6 -17.7 128 128 A E H <> S+ 0 0 162 -3,-0.6 4,-0.6 2,-0.2 -2,-0.2 0.808 111.5 36.7 -67.1 -27.4 96.7 -44.1 -17.7 129 129 A M H XX S+ 0 0 61 -3,-2.4 4,-1.2 -4,-0.8 3,-0.8 0.933 114.9 52.9 -85.3 -58.8 96.9 -41.6 -20.5 130 130 A L H >X S+ 0 0 2 -4,-1.8 4,-2.0 1,-0.3 3,-1.2 0.887 105.8 54.9 -40.7 -55.6 94.2 -39.3 -19.4 131 131 A K H 3X S+ 0 0 94 -4,-2.3 4,-2.6 1,-0.3 5,-0.3 0.875 97.0 64.0 -49.7 -45.0 95.7 -38.9 -15.9 132 132 A M H < S+ 0 0 8 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.278 89.5 96.5 -75.7 11.5 96.5 -29.1 -15.9 138 138 A C G 3 S+ 0 0 57 -4,-0.3 -1,-0.2 -5,-0.3 -2,-0.1 0.985 103.1 13.5 -65.8 -56.1 97.1 -29.3 -12.2 139 139 A H G < S+ 0 0 170 -3,-0.6 2,-0.3 -4,-0.4 -1,-0.2 -0.344 122.5 70.4-117.4 50.8 99.0 -26.1 -11.9 140 140 A K < - 0 0 92 -3,-0.6 3,-0.1 1,-0.1 6,-0.1 -0.972 67.6-139.7-157.9 153.8 98.2 -24.6 -15.3 141 141 A T S S+ 0 0 50 4,-0.7 2,-0.3 1,-0.3 5,-0.2 0.827 92.8 12.3 -86.8 -36.6 95.1 -23.1 -17.1 142 142 A Y B > S-D 145 0B 32 3,-1.6 3,-0.8 5,-0.1 -1,-0.3 -0.974 99.0 -85.6-138.6 152.2 95.8 -24.8 -20.4 143 143 A L T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 5,-0.1 0.522 127.4 26.4 -34.4 -13.9 98.3 -27.6 -21.5 144 144 A N T 3 S- 0 0 39 3,-0.3 -1,-0.3 1,-0.2 2,-0.3 0.654 122.3 -76.4-124.5 -29.0 101.0 -25.0 -21.9 145 145 A G B < S-D 142 0B 22 -3,-0.8 -3,-1.6 2,-0.5 -4,-0.7 -0.836 78.0 -31.6 169.4-129.8 100.3 -22.0 -19.6 146 146 A D S S+ 0 0 124 -2,-0.3 2,-0.1 -5,-0.2 -3,-0.1 0.785 115.5 70.6 -91.6 -34.2 97.9 -19.0 -19.6 147 147 A H S S- 0 0 154 1,-0.1 -2,-0.5 -5,-0.1 -3,-0.3 -0.385 88.2-115.3 -77.6 160.4 97.8 -18.6 -23.4 148 148 A V - 0 0 16 -4,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.228 29.7-172.5 -85.5-176.0 95.9 -21.1 -25.5 149 149 A T >> - 0 0 4 1,-0.1 3,-3.3 -4,-0.1 4,-0.6 -0.812 39.6-100.8-176.0 136.5 97.6 -23.4 -28.0 150 150 A H H >> S+ 0 0 0 1,-0.3 4,-2.3 -2,-0.2 3,-0.8 0.771 115.9 66.4 -39.3 -40.3 96.2 -25.8 -30.6 151 151 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.860 94.6 62.0 -53.0 -29.8 96.9 -28.9 -28.5 152 152 A D H <> S+ 0 0 0 -3,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.943 106.9 42.3 -59.9 -45.3 94.3 -27.5 -26.1 153 153 A F H X S+ 0 0 4 -4,-2.4 3,-1.9 1,-0.1 4,-0.6 0.988 109.6 46.8 -72.5 -68.0 84.5 -38.0 -28.2 162 162 A V H >X S+ 0 0 4 -4,-2.9 3,-2.6 1,-0.3 4,-1.2 0.843 100.1 71.8 -43.3 -41.3 85.4 -40.4 -25.4 163 163 A L H 3< S+ 0 0 44 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.267 96.1 51.1 -64.5 13.8 82.4 -38.9 -23.4 164 164 A Y H <4 S+ 0 0 121 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.416 108.2 53.4-118.6 -18.3 80.1 -40.7 -25.9 165 165 A M H << S- 0 0 29 -3,-2.6 -2,-0.2 -4,-0.6 -3,-0.1 0.617 137.4 -15.3 -91.5 -17.5 82.0 -43.9 -25.3 166 166 A D >< - 0 0 60 -4,-1.2 2,-1.9 -43,-0.0 3,-1.9 -0.226 57.0-153.0 170.4 89.7 81.6 -43.8 -21.5 167 167 A P T 3 S+ 0 0 89 0, 0.0 -4,-0.1 0, 0.0 -5,-0.0 0.041 90.7 60.3 -62.7 31.5 80.6 -40.6 -19.6 168 168 A M T >> + 0 0 124 -2,-1.9 3,-1.6 2,-0.1 4,-0.6 0.489 68.6 93.6-133.7 -14.5 82.4 -41.6 -16.4 169 169 A C T <4 S+ 0 0 15 -3,-1.9 -6,-0.0 1,-0.3 4,-0.0 0.672 92.2 48.8 -55.1 -18.9 86.0 -41.9 -17.6 170 170 A L T >4 S+ 0 0 6 -4,-0.2 3,-0.6 2,-0.1 7,-0.3 0.522 85.3 84.1-101.7 -10.0 86.4 -38.2 -16.4 171 171 A D T <4 S+ 0 0 102 -3,-1.6 -2,-0.1 1,-0.3 6,-0.1 0.989 92.5 48.5 -54.9 -63.4 84.9 -38.3 -12.9 172 172 A A T 3< S+ 0 0 82 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.678 109.2 63.1 -49.8 -19.4 88.0 -39.5 -11.2 173 173 A F <> + 0 0 26 -3,-0.6 4,-1.1 1,-0.2 -1,-0.2 -0.784 63.1 168.6-116.1 87.1 89.8 -36.8 -13.2 174 174 A P H >> S+ 0 0 68 0, 0.0 4,-0.9 0, 0.0 3,-0.6 0.932 70.1 56.3 -60.7 -59.1 88.4 -33.3 -12.0 175 175 A K H >> S+ 0 0 91 1,-0.3 4,-2.1 2,-0.2 3,-0.6 0.824 106.7 53.8 -50.0 -34.9 90.8 -30.8 -13.6 176 176 A L H 3> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.926 102.1 56.9 -66.9 -42.7 90.1 -32.2 -17.0 177 177 A V H < S+ 0 0 81 -4,-4.4 3,-0.6 1,-0.2 -1,-0.2 0.885 112.2 40.8 -47.3 -45.2 87.0 -23.7 -19.6 183 183 A I H >< S+ 0 0 0 -4,-2.5 3,-2.3 -5,-0.3 -1,-0.2 0.988 112.9 51.5 -67.0 -58.8 87.3 -24.3 -23.3 184 184 A E H 3< S+ 0 0 55 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.475 103.7 66.5 -58.8 2.6 83.6 -24.3 -23.9 185 185 A A T << + 0 0 74 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.189 69.9 108.3-110.2 14.2 83.7 -21.0 -22.0 186 186 A I S <> S- 0 0 14 -3,-2.3 4,-2.4 1,-0.2 5,-0.2 -0.842 74.1-130.5 -91.6 121.3 85.7 -19.0 -24.6 187 187 A P H >> S+ 0 0 88 0, 0.0 4,-2.5 0, 0.0 3,-0.8 0.865 107.1 48.7 -32.8 -64.4 83.4 -16.5 -26.2 188 188 A Q H 3> S+ 0 0 52 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.920 110.7 47.9 -42.3 -66.1 84.5 -17.6 -29.7 189 189 A I H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.796 112.8 52.9 -50.7 -30.4 84.1 -21.3 -29.0 190 190 A D H < S+ 0 0 2 -4,-1.8 3,-4.9 -5,-0.3 6,-0.4 0.983 107.6 49.4 -73.6 -77.8 80.4 -21.5 -32.7 193 193 A L H 3< S+ 0 0 36 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.681 114.5 49.6 -35.6 -28.4 79.1 -24.5 -30.8 194 194 A K T 3< S+ 0 0 153 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.505 105.2 72.3 -94.6 -3.2 75.7 -22.7 -30.6 195 195 A S S < S- 0 0 56 -3,-4.9 -3,-0.1 -5,-0.3 -4,-0.0 0.099 91.9 -96.9 -93.7-155.3 75.4 -21.8 -34.3 196 196 A S S S+ 0 0 111 1,-0.1 -4,-0.1 3,-0.0 -3,-0.0 0.761 109.2 67.4 -97.1 -36.1 74.8 -23.6 -37.6 197 197 A K S S+ 0 0 126 -5,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.766 80.3 103.7 -57.6 -28.5 78.3 -24.2 -38.8 198 198 A Y - 0 0 50 -6,-0.4 2,-0.7 1,-0.1 -5,-0.0 -0.351 63.9-149.2 -63.3 128.8 78.9 -26.6 -35.9 199 199 A I + 0 0 12 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.887 17.5 177.4-100.9 112.4 78.8 -30.3 -36.8 200 200 A A + 0 0 48 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.656 52.0 73.4 -89.7 -16.5 77.5 -32.3 -33.8 201 201 A W S S+ 0 0 150 1,-0.2 -1,-0.3 -192,-0.1 2,-0.1 -0.971 74.9 20.8-166.8 149.2 77.5 -35.7 -35.5 202 202 A P - 0 0 14 0, 0.0 -191,-0.7 0, 0.0 -190,-0.2 0.597 48.1-156.1 -88.3 176.3 79.0 -38.1 -36.5 203 203 A L S S+ 0 0 14 -193,-0.2 -191,-2.3 -192,-0.2 2,-0.2 0.786 79.9 3.7 -82.1 -27.8 82.4 -38.3 -34.9 204 204 A Q S S- 0 0 20 -193,-0.2 2,-0.2 1,-0.2 -193,-0.2 -0.440 113.4 -27.5-132.7-153.4 83.8 -40.3 -37.8 205 205 A G > - 0 0 5 -2,-0.2 3,-2.3 1,-0.2 -1,-0.2 -0.492 55.7-124.4 -69.2 132.8 82.8 -41.7 -41.2 206 206 A W T 3 S+ 0 0 57 1,-0.3 -1,-0.2 -2,-0.2 -3,-0.1 0.866 113.0 63.2 -41.7 -40.7 79.1 -42.3 -41.4 207 207 A Q T 3 S+ 0 0 138 -172,-0.0 -1,-0.3 -3,-0.0 -2,-0.0 0.836 84.5 104.2 -54.0 -38.9 80.1 -45.8 -42.3 208 208 A A < 0 0 26 -3,-2.3 -97,-0.2 1,-0.1 -98,-0.1 0.231 360.0 360.0 -41.7 166.9 81.7 -46.4 -38.9 209 209 A T 0 0 125 -99,-1.6 -98,-0.2 -97,-0.1 -1,-0.1 0.935 360.0 360.0 -85.1 360.0 80.2 -48.4 -36.1