==== 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/TRANSFERASE INHIBITOR 10-JUN-98 1GUL . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE A4-4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.M.BRUNS,I.HUBATSCH,M.RIDDERSTROM,B.MANNERVIK,J.A.TAINER . 1760 24 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 73474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1304 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 4.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 64 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 216 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 832 47.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.3 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 8 0 16 16 16 0 0 0 0 8 0 8 0 0 0 0 8 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 8 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 . 0 0 8 8 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 8 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 4 A R 0 0 171 0, 0.0 26,-0.2 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 117.8 -0.9 -26.5 -48.0 2 5 A P - 0 0 12 0, 0.0 26,-4.8 0, 0.0 2,-0.5 -0.148 360.0-147.3 -57.9 147.0 2.5 -24.8 -47.8 3 6 A K E -aB 28 56A 68 53,-1.9 53,-3.3 24,-0.2 2,-0.6 -0.971 6.3-152.8-123.9 124.1 4.4 -23.8 -50.8 4 7 A L E -aB 29 55A 0 24,-2.3 26,-3.3 -2,-0.5 2,-0.7 -0.855 1.9-158.8-100.8 122.2 8.0 -23.8 -51.0 5 8 A H E +aB 30 54A 3 49,-2.6 49,-1.1 -2,-0.6 26,-0.2 -0.837 43.3 100.6-101.8 119.9 10.0 -21.6 -53.2 6 9 A Y E S-a 31 0A 0 24,-1.2 26,-1.3 -2,-0.7 -2,-0.1 -0.954 73.2 -74.5-179.9 164.3 13.4 -22.7 -54.0 7 10 A P E -a 32 0A 1 0, 0.0 2,-1.7 0, 0.0 26,-0.1 -0.158 63.5 -91.3 -62.0 163.8 15.5 -24.3 -56.5 8 11 A N S S+ 0 0 92 24,-0.7 2,-0.3 23,-0.1 3,-0.1 -0.608 96.6 66.4 -87.6 85.1 15.1 -28.0 -56.7 9 12 A G S S- 0 0 5 -2,-1.7 4,-0.2 1,-0.1 193,-0.0 -0.941 90.7 -85.2-178.7 178.8 17.8 -29.1 -54.3 10 13 A R >> + 0 0 34 193,-0.5 4,-2.0 -2,-0.3 3,-0.7 0.973 66.4 129.3 -65.8 -70.5 18.7 -29.0 -50.7 11 14 A G T 34 S- 0 0 13 1,-0.3 3,-0.3 2,-0.2 4,-0.2 -0.013 92.7 -32.8 45.8-134.3 20.4 -25.8 -50.0 12 15 A R T >4 S+ 0 0 26 1,-0.2 3,-0.7 2,-0.1 4,-0.4 0.651 132.2 71.6 -85.1 -16.7 19.0 -24.0 -47.1 13 16 A M T X> S+ 0 0 0 -3,-0.7 4,-2.2 1,-0.2 3,-0.6 0.713 75.1 82.2 -72.2 -23.4 15.4 -25.2 -47.7 14 17 A E H 3X S+ 0 0 2 -4,-2.0 4,-3.2 -3,-0.3 -1,-0.2 0.841 84.2 57.9 -54.3 -36.0 16.0 -28.7 -46.7 15 18 A S H <> S+ 0 0 2 -3,-0.7 4,-2.8 1,-0.2 -1,-0.3 0.939 106.1 51.2 -61.6 -39.3 15.7 -28.0 -43.0 16 19 A V H <> S+ 0 0 0 -3,-0.6 4,-2.6 -4,-0.4 -1,-0.2 0.908 108.4 50.5 -64.8 -42.3 12.3 -26.7 -43.7 17 20 A R H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.979 109.9 51.9 -60.1 -49.1 11.4 -29.9 -45.6 18 21 A W H X S+ 0 0 7 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.908 112.5 44.3 -51.4 -46.1 12.6 -31.9 -42.7 19 22 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.914 113.3 48.0 -67.8 -48.1 10.5 -30.1 -40.3 20 23 A L H <>S+ 0 0 1 -4,-2.6 5,-2.5 -5,-0.2 4,-0.2 0.970 115.0 47.3 -53.8 -53.6 7.4 -30.0 -42.2 21 24 A A H ><5S+ 0 0 16 -4,-2.9 3,-1.5 1,-0.3 -2,-0.2 0.887 111.8 49.6 -54.0 -49.1 7.8 -33.7 -43.0 22 25 A A H 3<5S+ 0 0 8 -4,-2.8 -1,-0.3 -5,-0.3 168,-0.2 0.875 107.3 53.8 -59.5 -40.3 8.5 -34.6 -39.4 23 26 A A T 3<5S- 0 0 30 -4,-2.4 -1,-0.3 -3,-0.2 -2,-0.2 0.452 119.2-114.0 -73.7 -0.7 5.5 -32.6 -38.3 24 27 A G T < 5 + 0 0 47 -3,-1.5 2,-0.4 -4,-0.2 -3,-0.2 0.638 66.7 148.0 76.2 16.6 3.5 -34.7 -40.7 25 28 A V < - 0 0 33 -5,-2.5 2,-0.2 -6,-0.2 -1,-0.2 -0.711 38.4-145.2 -92.0 130.0 2.7 -31.7 -42.9 26 29 A E + 0 0 131 -2,-0.4 2,-0.3 -5,-0.0 -1,-0.0 -0.638 28.7 170.1 -86.9 147.6 2.2 -32.1 -46.7 27 30 A F - 0 0 7 -2,-0.2 2,-0.3 -26,-0.2 -24,-0.2 -0.969 26.9-119.4-154.7 170.0 3.4 -29.3 -48.9 28 31 A D E -a 3 0A 56 -26,-4.8 -24,-2.3 -2,-0.3 2,-0.4 -0.683 16.9-145.7-112.2 168.8 4.1 -28.1 -52.3 29 32 A E E -a 4 0A 37 -2,-0.3 2,-0.6 -26,-0.2 -24,-0.2 -0.996 7.0-165.0-134.3 139.8 7.1 -26.9 -54.0 30 33 A E E -a 5 0A 84 -26,-3.3 -24,-1.2 -2,-0.4 2,-0.2 -0.895 27.6-142.3-124.1 100.4 7.6 -24.3 -56.7 31 34 A F E -a 6 0A 53 -2,-0.6 2,-0.4 -26,-0.2 -26,-0.1 -0.414 4.9-141.7 -74.8 137.0 11.0 -24.7 -58.2 32 35 A L E +a 7 0A 5 -26,-1.3 -24,-0.7 -2,-0.2 184,-0.1 -0.727 29.1 159.6 -90.7 134.5 13.4 -22.0 -59.3 33 36 A E + 0 0 132 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.569 59.6 28.4-119.6 -22.5 15.3 -22.9 -62.5 34 37 A T S > S- 0 0 52 1,-0.1 4,-1.8 182,-0.1 -1,-0.2 -0.951 74.3-109.8-142.5 163.1 16.4 -19.4 -63.8 35 38 A K H > S+ 0 0 94 180,-0.4 4,-3.5 -2,-0.3 3,-0.3 0.941 116.9 58.2 -53.3 -47.0 17.4 -15.9 -62.9 36 39 A E H > S+ 0 0 115 1,-0.3 4,-2.6 2,-0.3 5,-0.3 0.884 101.1 49.9 -55.4 -46.8 14.2 -14.8 -64.6 37 40 A Q H > S+ 0 0 60 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.890 110.9 52.5 -63.1 -32.0 11.9 -16.8 -62.4 38 41 A L H X S+ 0 0 4 -4,-1.8 4,-2.8 -3,-0.3 3,-0.4 0.968 107.1 53.5 -65.7 -47.9 13.6 -15.4 -59.5 39 42 A Y H X S+ 0 0 129 -4,-3.5 4,-4.3 1,-0.3 5,-0.3 0.885 106.3 51.4 -53.0 -41.9 13.0 -12.0 -60.9 40 43 A K H X S+ 0 0 126 -4,-2.6 4,-2.3 1,-0.2 -1,-0.3 0.906 109.8 49.1 -64.9 -33.4 9.4 -12.5 -61.2 41 44 A L H <>S+ 0 0 15 -4,-1.6 5,-2.2 -3,-0.4 6,-0.5 0.949 116.9 42.2 -67.9 -40.3 9.2 -13.6 -57.7 42 45 A Q H ><5S+ 0 0 16 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.948 111.2 56.3 -68.6 -50.0 11.1 -10.6 -56.7 43 46 A D H 3<5S+ 0 0 131 -4,-4.3 -1,-0.2 1,-0.3 -2,-0.2 0.844 103.2 53.0 -53.4 -42.4 9.3 -8.4 -58.9 44 47 A G T 3<5S- 0 0 36 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.447 115.3-114.9 -79.1 8.4 5.9 -9.3 -57.6 45 48 A N T < 5S+ 0 0 122 -3,-2.3 -3,-0.2 2,-0.1 -2,-0.2 0.902 75.1 132.4 67.3 39.6 7.1 -8.5 -54.1 46 49 A H < + 0 0 57 -5,-2.2 2,-0.7 1,-0.2 -4,-0.2 0.739 56.2 67.9 -94.8 -20.6 6.8 -12.0 -52.8 47 50 A L S > S- 0 0 3 -6,-0.5 3,-1.9 -5,-0.2 -1,-0.2 -0.917 71.4-153.7-100.5 106.9 10.2 -12.1 -51.2 48 51 A L T 3 S+ 0 0 52 -2,-0.7 -1,-0.1 13,-0.3 307,-0.1 0.804 98.5 18.7 -47.7 -41.3 10.4 -9.7 -48.3 49 52 A F T 3 S- 0 0 1 2,-0.4 -1,-0.3 -3,-0.1 3,-0.1 0.040 115.6-102.5-120.9 19.6 14.1 -9.4 -48.7 50 53 A Q S < S+ 0 0 45 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.563 88.6 99.5 72.9 11.0 14.5 -10.6 -52.2 51 54 A Q - 0 0 23 2,-0.1 -2,-0.4 171,-0.1 171,-0.3 -0.858 61.4-100.2-128.8 167.7 15.7 -13.9 -51.2 52 55 A V S S+ 0 0 1 169,-3.1 2,-0.1 -2,-0.3 -46,-0.1 -0.765 77.3 83.2-115.0 156.2 14.7 -17.5 -50.8 53 56 A P + 0 0 0 0, 0.0 11,-0.9 0, 0.0 2,-0.4 0.253 62.9 160.6 -62.4 146.3 13.9 -19.6 -48.9 54 57 A M E -BC 5 63A 1 -49,-1.1 -49,-2.6 9,-0.2 2,-0.4 -0.993 16.8-170.3-136.7 137.8 10.4 -18.3 -48.9 55 58 A V E -BC 4 62A 0 7,-3.4 7,-2.2 -2,-0.4 2,-0.8 -0.996 16.1-141.9-133.3 130.9 7.5 -20.4 -47.9 56 59 A E E +BC 3 61A 70 -53,-3.3 -53,-1.9 -2,-0.4 2,-0.4 -0.842 39.7 149.6 -96.0 114.9 3.9 -19.6 -48.2 57 60 A I E > - C 0 60A 15 3,-1.9 3,-2.7 -2,-0.8 5,-0.1 -0.999 56.9 -0.1-149.7 141.0 2.1 -20.7 -45.3 58 61 A D T 3 S- 0 0 104 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.840 129.4 -55.0 50.3 37.1 -1.0 -19.7 -43.3 59 62 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.0 2,-0.3 0.482 118.6 105.0 77.7 7.7 -1.5 -16.9 -45.7 60 63 A M E < -C 57 0A 46 -3,-2.7 -3,-1.9 -5,-0.0 2,-0.5 -0.738 65.8-136.5-114.2 165.9 1.9 -15.5 -45.2 61 64 A K E -C 56 0A 87 -2,-0.3 -13,-0.3 -5,-0.2 -5,-0.2 -0.821 31.8-166.2-117.7 84.6 5.1 -15.5 -47.2 62 65 A L E -C 55 0A 4 -7,-2.2 -7,-3.4 -2,-0.5 2,-0.2 -0.565 7.8-176.3 -80.0 146.3 7.7 -16.2 -44.7 63 66 A V E +C 54 0A 3 -9,-0.3 -9,-0.2 -2,-0.2 4,-0.1 -0.791 44.2 64.1-131.4 162.5 11.4 -15.7 -45.5 64 67 A Q S >> S- 0 0 4 -11,-0.9 4,-2.7 155,-0.5 3,-0.7 0.788 73.2-122.6 78.0 105.5 14.6 -16.4 -43.5 65 68 A T H 3> S+ 0 0 7 154,-1.6 4,-2.6 1,-0.3 5,-0.2 0.882 108.5 48.2 -44.4 -51.8 15.2 -20.0 -42.8 66 69 A R H 3> S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.859 111.4 49.5 -63.1 -34.8 15.4 -19.7 -39.1 67 70 A S H <> S+ 0 0 2 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.913 111.0 50.4 -69.7 -37.8 12.3 -17.6 -38.8 68 71 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.948 109.6 50.5 -63.2 -48.6 10.4 -20.0 -40.9 69 72 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.924 109.2 51.1 -59.8 -45.5 11.6 -22.9 -38.8 70 73 A H H X S+ 0 0 10 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.908 107.8 53.6 -60.4 -40.6 10.5 -21.2 -35.6 71 74 A Y H X S+ 0 0 4 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.985 112.1 43.2 -58.6 -50.2 7.1 -20.5 -37.1 72 75 A I H X S+ 0 0 1 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.914 112.6 52.8 -61.0 -43.3 6.5 -24.1 -38.0 73 76 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.3 3,-1.1 0.931 110.4 47.9 -57.6 -46.7 7.8 -25.4 -34.7 74 77 A D H 3<5S+ 0 0 47 -4,-2.5 3,-0.5 1,-0.3 -1,-0.3 0.796 110.0 51.7 -68.2 -28.4 5.6 -23.2 -32.8 75 78 A K H 3<5S+ 0 0 92 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.542 119.1 38.3 -81.4 -9.0 2.6 -24.2 -34.9 76 79 A H T <<5S- 0 0 74 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.165 109.6-102.5-133.6 34.2 3.4 -27.8 -34.2 77 80 A N T 5S+ 0 0 82 -3,-0.5 3,-0.2 1,-0.1 -3,-0.2 0.830 84.6 120.0 53.9 38.4 4.6 -28.4 -30.8 78 81 A L < + 0 0 9 -5,-2.5 74,-3.1 -6,-0.2 75,-0.3 0.234 58.9 71.5-113.8 15.9 8.2 -28.7 -31.8 79 82 A F S S- 0 0 6 -6,-0.5 3,-0.2 1,-0.5 -1,-0.1 0.008 101.6-104.0-121.2 27.6 9.4 -25.8 -29.6 80 83 A G - 0 0 14 70,-0.3 -1,-0.5 -3,-0.2 3,-0.1 -0.339 28.8 -92.3 85.1-171.1 9.1 -27.0 -26.1 81 84 A K S S+ 0 0 144 1,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.315 96.7 15.8-128.6 -1.2 6.6 -26.4 -23.4 82 85 A N S > S- 0 0 78 -3,-0.2 4,-3.3 1,-0.1 3,-0.4 -0.995 85.0 -89.1-166.6 168.4 8.2 -23.5 -21.7 83 86 A L H > S+ 0 0 44 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.848 120.7 55.2 -48.7 -43.4 10.9 -20.8 -21.9 84 87 A K H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.934 114.8 37.9 -57.5 -49.6 13.5 -23.0 -20.4 85 88 A E H > S+ 0 0 43 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.918 114.5 53.6 -63.6 -54.9 13.0 -25.6 -23.0 86 89 A R H X S+ 0 0 42 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.921 107.0 54.6 -50.3 -42.5 12.5 -23.2 -25.8 87 90 A T H X S+ 0 0 7 -4,-3.3 4,-2.4 -5,-0.3 -1,-0.2 0.940 110.3 44.6 -60.3 -42.7 15.7 -21.7 -24.8 88 91 A L H X S+ 0 0 62 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.934 112.3 50.9 -65.7 -47.5 17.6 -25.0 -25.1 89 92 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.910 109.2 53.3 -58.6 -41.9 16.1 -25.9 -28.3 90 93 A D H X S+ 0 0 9 -4,-2.7 4,-3.1 -5,-0.3 5,-0.2 0.972 111.0 44.1 -60.3 -51.8 16.9 -22.6 -29.7 91 94 A M H X S+ 0 0 7 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.901 112.4 52.0 -59.5 -41.8 20.5 -22.9 -28.8 92 95 A Y H X S+ 0 0 19 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.941 110.6 49.2 -61.8 -44.6 20.9 -26.4 -30.0 93 96 A V H X S+ 0 0 3 -4,-2.7 4,-3.0 -5,-0.3 5,-0.2 0.939 110.5 47.9 -60.8 -48.7 19.4 -25.5 -33.2 94 97 A E H X S+ 0 0 1 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.939 113.0 49.0 -60.7 -42.6 21.6 -22.5 -33.8 95 98 A G H >X S+ 0 0 0 -4,-2.8 4,-1.0 -5,-0.2 3,-0.5 0.967 112.1 49.3 -59.7 -46.9 24.7 -24.4 -32.9 96 99 A T H >X S+ 0 0 1 -4,-3.0 4,-2.8 -5,-0.3 3,-1.4 0.932 105.5 56.0 -59.2 -45.1 23.6 -27.2 -35.2 97 100 A L H 3X S+ 0 0 11 -4,-3.0 4,-1.7 1,-0.3 -1,-0.3 0.819 101.9 59.8 -57.3 -28.3 22.9 -24.8 -38.1 98 101 A D H << S+ 0 0 42 -4,-1.6 4,-0.5 -3,-0.5 -1,-0.3 0.845 109.1 42.0 -69.8 -28.3 26.4 -23.7 -37.7 99 102 A L H XX S+ 0 0 2 -3,-1.4 3,-1.4 -4,-1.0 4,-0.7 0.919 110.6 55.4 -79.7 -47.9 27.6 -27.1 -38.4 100 103 A L H >X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.3 3,-0.8 0.817 93.4 72.8 -54.6 -31.2 25.2 -27.8 -41.1 101 104 A E H 3X S+ 0 0 51 -4,-1.7 4,-2.8 1,-0.3 5,-0.3 0.891 88.3 60.3 -54.9 -38.1 26.5 -24.7 -42.9 102 105 A L H <> S+ 0 0 27 -3,-1.4 4,-1.4 -4,-0.5 -1,-0.3 0.901 106.4 46.5 -55.8 -40.2 29.6 -26.5 -43.7 103 106 A L H << S+ 0 0 24 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.928 111.2 52.6 -68.4 -43.9 27.5 -29.0 -45.6 104 107 A I H < S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.866 114.2 41.5 -57.2 -43.0 25.6 -26.2 -47.3 105 108 A M H >< S+ 0 0 68 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.713 93.0 90.6 -74.6 -29.6 28.7 -24.4 -48.5 106 109 A H G >< S+ 0 0 11 -4,-1.4 3,-2.0 -5,-0.3 -1,-0.2 0.829 80.0 51.8 -37.2 -59.2 30.5 -27.5 -49.5 107 110 A P G 3 S+ 0 0 22 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.699 105.8 56.9 -58.9 -19.5 29.4 -27.9 -53.1 108 111 A F G < S+ 0 0 37 -3,-1.9 -2,-0.2 -4,-0.2 2,-0.2 0.328 87.3 102.6 -96.9 8.6 30.4 -24.4 -53.9 109 112 A L S < S- 0 0 30 -3,-2.0 5,-0.0 -4,-0.2 -3,-0.0 -0.470 87.7 -92.4 -81.1 163.5 34.0 -24.9 -52.8 110 113 A K >> - 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0 0 20 2,-0.1 -2,-0.4 171,-0.1 171,-0.3 -0.858 61.4-100.2-128.8 167.7 32.4 -20.0 -28.5 275 55 B V S S+ 0 0 0 169,-3.1 2,-0.1 -2,-0.3 -46,-0.1 -0.765 77.3 83.2-115.1 156.2 31.4 -16.6 -27.5 276 56 B P + 0 0 0 0, 0.0 11,-0.9 0, 0.0 2,-0.4 0.253 62.9 160.5 -62.4 146.2 29.2 -14.6 -27.3 277 57 B M E -EF 228 286B 2 -49,-1.1 -49,-2.6 9,-0.2 2,-0.4 -0.993 16.8-170.3-136.7 137.8 28.3 -16.2 -24.0 278 58 B V E -EF 227 285B 0 7,-3.4 7,-2.2 -2,-0.4 2,-0.8 -0.996 16.1-141.9-133.2 130.8 26.2 -14.3 -21.5 279 59 B E E +EF 226 284B 71 -53,-3.3 -53,-1.9 -2,-0.4 2,-0.4 -0.841 39.7 149.6 -95.9 114.9 25.5 -15.3 -18.0 280 60 B I E > - F 0 283B 10 3,-1.9 3,-2.7 -2,-0.8 5,-0.1 -0.999 56.9 -0.2-149.7 141.0 22.1 -14.5 -17.1 281 61 B D T 3 S- 0 0 105 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.840 129.4 -55.0 50.3 37.1 19.3 -15.8 -14.8 282 62 B G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.0 2,-0.3 0.482 118.6 105.0 77.7 7.7 21.6 -18.5 -13.8 283 63 B M E < -F 280 0B 46 -3,-2.7 -3,-1.9 -5,-0.0 2,-0.5 -0.738 65.8-136.5-114.2 165.9 22.3 -19.7 -17.3 284 64 B K E -F 279 0B 89 -2,-0.3 -13,-0.3 -5,-0.2 -5,-0.2 -0.821 31.8-166.3-117.7 84.6 25.2 -19.4 -19.6 285 65 B L E -F 278 0B 6 -7,-2.2 -7,-3.4 -2,-0.5 2,-0.2 -0.565 7.8-176.3 -80.1 146.4 23.6 -18.6 -22.8 286 66 B V E +F 277 0B 4 -9,-0.3 -9,-0.2 -2,-0.2 4,-0.1 -0.791 44.2 64.1-131.4 162.5 25.4 -18.8 -26.1 287 67 B Q S >> S- 0 0 4 -11,-0.9 4,-2.7 155,-0.5 3,-0.7 0.788 73.2-122.6 78.0 105.5 24.5 -18.0 -29.8 288 68 B T H 3> S+ 0 0 7 154,-1.6 4,-2.6 1,-0.3 5,-0.2 0.882 108.5 48.2 -44.5 -51.8 23.8 -14.4 -30.4 289 69 B R H 3> S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.859 111.4 49.5 -63.1 -34.8 20.3 -15.0 -31.7 290 70 B S H <> S+ 0 0 2 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.913 111.0 50.4 -69.7 -37.8 19.3 -17.2 -28.9 291 71 B I H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.949 109.6 50.5 -63.1 -48.6 20.5 -14.8 -26.4 292 72 B L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.923 109.2 51.1 -59.8 -45.5 18.6 -12.0 -28.0 293 73 B H H X S+ 0 0 13 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.909 107.8 53.6 -60.4 -40.6 15.4 -13.9 -28.0 294 74 B Y H X S+ 0 0 4 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.985 112.1 43.2 -58.6 -50.2 15.8 -14.7 -24.4 295 75 B I H X S+ 0 0 1 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.914 112.6 52.8 -61.0 -43.4 16.2 -11.2 -23.4 296 76 B A H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.3 3,-1.1 0.931 110.4 47.9 -57.6 -46.7 13.5 -10.0 -25.6 297 77 B D H 3<5S+ 0 0 53 -4,-2.5 3,-0.5 1,-0.3 -1,-0.3 0.796 110.0 51.7 -68.2 -28.4 11.1 -12.5 -24.2 298 78 B K H 3<5S+ 0 0 97 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.542 119.1 38.3 -81.5 -8.9 12.1 -11.5 -20.7 299 79 B H T <<5S- 0 0 74 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.165 109.6-102.5-133.6 34.2 11.5 -7.9 -21.5 300 80 B N T 5S+ 0 0 78 -3,-0.5 3,-0.2 1,-0.1 -3,-0.2 0.830 84.6 120.0 53.9 38.4 8.5 -7.4 -23.7 301 81 B L < + 0 0 8 -5,-2.5 74,-3.1 -6,-0.2 75,-0.3 0.234 58.9 71.5-113.8 15.9 10.6 -6.8 -26.8 302 82 B F S S- 0 0 8 -6,-0.5 3,-0.2 1,-0.5 -1,-0.1 0.009 101.6-104.0-121.2 27.5 9.1 -9.8 -28.6 303 83 B G - 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0 0 111 -2,-0.2 3,-2.7 1,-0.1 4,-1.2 -0.723 40.7-118.9 -83.3 116.0 24.8 42.1 3.8 1226 114 F P H 3> S+ 0 0 103 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.645 114.3 57.6 -21.4 -39.8 28.5 41.9 4.2 1227 115 F D H >> S+ 0 0 129 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.958 110.5 42.9 -64.3 -49.4 28.4 38.2 3.4 1228 116 F D H <> S+ 0 0 63 -3,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.647 97.0 79.6 -71.3 -16.3 26.7 38.9 0.1 1229 117 F Q H 3X S+ 0 0 49 -4,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.923 93.7 46.3 -61.1 -39.1 29.0 41.8 -0.6 1230 118 F Q H S+ 0 0 54 -4,-3.0 4,-3.0 2,-0.2 5,-1.4 0.925 113.6 48.2 -64.1 -44.4 29.3 41.2 -15.8 1240 128 F A H X>S+ 0 0 0 -4,-2.9 5,-2.8 -5,-0.3 4,-0.6 0.957 116.2 43.5 -56.9 -52.3 31.8 43.8 -16.7 1241 129 F I H <5S+ 0 0 8 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.843 127.6 26.9 -62.8 -44.4 34.1 41.3 -18.3 1242 130 F I H <5S+ 0 0 42 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.857 129.9 28.6 -92.1 -40.2 31.5 39.5 -20.2 1243 131 F R H <5S+ 0 0 36 -4,-3.0 -3,-0.2 -5,-0.4 -2,-0.1 0.872 127.9 16.6 -97.2 -34.8 28.7 41.7 -20.8 1244 132 F Y T >X S+ 0 0 49 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.853 102.1 52.3 -66.5 -27.3 33.7 43.8 -24.6 1247 135 F V H <> S+ 0 0 26 -3,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.918 114.8 40.9 -73.9 -45.9 31.2 46.0 -26.4 1248 136 F F H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.925 110.8 56.2 -72.2 -44.2 33.1 49.0 -25.7 1249 137 F E H X S+ 0 0 22 -4,-3.3 4,-2.5 1,-0.2 5,-0.4 0.954 111.5 45.3 -52.7 -46.5 36.4 47.5 -26.4 1250 138 F K H X S+ 0 0 153 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.854 109.1 54.6 -67.5 -33.2 35.2 46.5 -29.8 1251 139 F I H X S+ 0 0 31 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.968 114.4 40.6 -61.4 -50.9 33.6 49.8 -30.6 1252 140 F L H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 3,-0.4 0.775 114.1 52.3 -61.8 -43.6 36.8 51.6 -29.9 1253 141 F R H < S+ 0 0 125 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.838 107.2 57.4 -67.5 -31.2 38.9 49.0 -31.6 1254 142 F G H < S+ 0 0 60 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.774 120.3 20.2 -75.7 -21.7 36.7 49.4 -34.5 1255 143 F H H < S- 0 0 67 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.534 86.7-136.3-121.7 -11.9 37.1 53.1 -35.2 1256 144 F G < + 0 0 62 -4,-2.0 -3,-0.1 1,-0.2 -4,-0.1 0.415 57.5 134.1 71.1 -0.3 40.3 53.9 -33.5 1257 145 F Q - 0 0 68 2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.177 64.8-123.5 -78.4 169.5 38.9 57.2 -32.0 1258 146 F S S S+ 0 0 40 -3,-0.1 2,-0.3 5,-0.0 -1,-0.1 0.524 92.0 59.8 -90.5 0.0 39.2 58.3 -28.5 1259 147 F F S S- 0 0 40 1,-0.1 4,-0.3 6,-0.1 -2,-0.2 -0.916 79.0-129.3-125.4 150.7 35.5 58.6 -27.9 1260 148 F L S S+ 0 0 6 -2,-0.3 2,-0.4 1,-0.2 5,-0.1 0.831 93.2 25.2 -63.4 -40.1 32.8 56.0 -28.1 1261 149 F V S > S- 0 0 9 3,-0.5 3,-1.4 1,-0.1 -1,-0.2 -0.997 124.7 -9.3-139.0 138.3 30.7 58.1 -30.3 1262 150 F G T 3 S- 0 0 32 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 0.580 100.4 -86.0 57.8 19.3 31.2 60.9 -32.8 1263 151 F N T 3 S+ 0 0 82 -4,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.834 107.0 90.5 54.8 30.8 34.8 61.5 -32.1 1264 152 F Q S < S- 0 0 36 -3,-1.4 -3,-0.5 -71,-0.0 -1,-0.2 -0.974 89.7 -82.8-148.6 157.4 33.8 63.8 -29.4 1265 153 F L + 0 0 31 -2,-0.3 -70,-0.3 -3,-0.1 2,-0.3 -0.416 52.1 177.6 -64.7 140.6 33.1 63.4 -25.7 1266 154 F S > - 0 0 1 -72,-0.1 4,-1.6 -2,-0.1 -72,-0.2 -0.840 48.2 -98.9-136.9 169.0 29.7 62.3 -24.9 1267 155 F L H > S+ 0 0 1 -74,-3.1 4,-2.1 -2,-0.3 5,-0.3 0.870 120.2 63.5 -59.9 -33.2 27.7 61.4 -22.0 1268 156 F A H > S+ 0 0 1 -75,-0.3 4,-2.2 1,-0.2 5,-0.2 0.931 100.7 50.7 -60.4 -41.7 28.5 57.8 -22.7 1269 157 F D H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.915 109.5 49.8 -65.9 -40.4 32.2 58.3 -22.2 1270 158 F V H X S+ 0 0 1 -4,-1.6 4,-3.3 2,-0.2 -1,-0.2 0.960 112.3 45.6 -63.8 -46.2 31.7 60.0 -18.8 1271 159 F I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.892 115.4 48.6 -63.1 -36.7 29.5 57.3 -17.4 1272 160 F L H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.3 5,-0.3 0.966 111.9 47.8 -69.0 -48.8 31.7 54.6 -18.7 1273 161 F L H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 5,-0.3 0.941 111.7 50.9 -55.4 -46.2 34.7 56.3 -17.3 1274 162 F Q H X S+ 0 0 15 -4,-3.3 4,-1.5 -5,-0.3 -1,-0.2 0.928 113.7 44.9 -57.2 -42.0 33.0 56.8 -14.0 1275 163 F T H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.898 110.2 51.4 -70.0 -49.4 32.0 53.2 -13.9 1276 164 F I H X S+ 0 0 0 -4,-3.1 4,-3.3 1,-0.2 5,-0.2 0.969 111.1 49.2 -56.4 -48.5 35.2 51.6 -14.9 1277 165 F L H X S+ 0 0 33 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.2 0.877 110.0 51.2 -60.1 -37.2 37.1 53.6 -12.3 1278 166 F A H X S+ 0 0 10 -4,-1.5 4,-0.7 -5,-0.3 -1,-0.2 0.875 110.5 48.9 -66.5 -36.2 34.7 52.6 -9.7 1279 167 F L H >X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 3,-2.1 0.942 105.4 58.0 -68.6 -44.4 35.1 49.0 -10.6 1280 168 F E H 3< S+ 0 0 58 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.771 94.6 65.8 -58.1 -25.2 38.8 49.3 -10.5 1281 169 F E H 3< S+ 0 0 87 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.869 116.5 27.2 -64.4 -31.5 38.5 50.5 -7.0 1282 170 F K H << S+ 0 0 81 -3,-2.1 -2,-0.2 -4,-0.7 -1,-0.2 0.756 136.7 28.7 -97.0 -30.2 37.3 47.0 -6.2 1283 171 F I >< - 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