==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-OCT-12 4HJ2 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KARPUSAS,L.CHINIADIS,N.E.LABROU . 430 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.2 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 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 . 20 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 47.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 0 5 1 3 3 0 2 0 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 145 0, 0.0 26,-0.1 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 141.9 2.5 -16.4 8.0 2 5 A P - 0 0 9 0, 0.0 26,-3.1 0, 0.0 2,-0.5 -0.250 360.0-147.7 -52.3 135.3 5.9 -15.0 9.1 3 6 A K E -aB 28 56A 54 53,-2.1 53,-2.7 24,-0.2 2,-0.6 -0.950 7.8-155.5-111.3 119.9 7.1 -16.8 12.2 4 7 A L E -aB 29 55A 1 24,-3.3 26,-2.5 -2,-0.5 2,-0.6 -0.863 2.1-159.3-101.7 123.4 9.2 -14.7 14.6 5 8 A H E +aB 30 54A 0 49,-2.9 49,-1.3 -2,-0.6 2,-0.3 -0.890 42.7 106.1-103.3 116.8 11.6 -16.4 16.9 6 9 A Y E S-a 31 0A 17 24,-0.7 26,-1.7 -2,-0.6 2,-0.1 -0.946 70.4 -81.6-171.3 171.4 12.6 -14.4 20.0 7 10 A F E -a 32 0A 5 -2,-0.3 2,-2.6 24,-0.2 26,-0.1 -0.471 60.7 -83.7 -85.3 164.9 11.9 -14.4 23.7 8 11 A N S S+ 0 0 80 24,-0.6 2,-0.3 -2,-0.1 -1,-0.1 -0.391 98.3 83.5 -69.5 75.4 8.7 -12.7 25.0 9 12 A A S S- 0 0 4 -2,-2.6 4,-0.2 1,-0.2 193,-0.1 -0.966 84.6-106.0-162.8 171.1 10.1 -9.2 25.1 10 13 A R S >> S+ 0 0 28 193,-0.5 4,-1.9 -2,-0.3 3,-1.2 0.995 71.4 122.7 -68.6 -66.9 10.7 -6.1 23.0 11 14 A G T 34 S- 0 0 16 1,-0.2 3,-0.4 2,-0.2 4,-0.2 0.001 92.1 -26.4 41.3-136.6 14.5 -6.4 22.7 12 15 A R T 34 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.538 135.9 62.4 -84.9 -6.2 15.7 -6.5 19.1 13 16 A M T X> S+ 0 0 0 -3,-1.2 4,-1.8 -4,-0.2 3,-0.6 0.664 78.3 83.9 -92.4 -19.6 12.4 -8.0 17.7 14 17 A E H 3X S+ 0 0 3 -4,-1.9 4,-2.5 -3,-0.4 5,-0.2 0.827 85.0 55.5 -56.2 -38.1 10.0 -5.1 18.6 15 18 A S H 3> S+ 0 0 24 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.881 108.7 50.3 -64.9 -34.1 10.8 -2.9 15.5 16 19 A T H <> S+ 0 0 0 -3,-0.6 4,-2.7 -4,-0.2 5,-0.3 0.915 108.1 51.8 -67.3 -44.1 9.9 -5.9 13.3 17 20 A R H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 5,-0.3 0.933 111.3 48.5 -57.7 -47.2 6.6 -6.5 15.2 18 21 A W H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.901 112.4 48.1 -60.2 -43.7 5.8 -2.8 14.7 19 22 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.922 112.8 46.0 -66.9 -45.6 6.6 -2.9 10.9 20 23 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 3,-0.5 0.965 115.2 46.3 -60.3 -54.4 4.6 -6.1 10.1 21 24 A A H ><5S+ 0 0 16 -4,-2.2 3,-1.7 -5,-0.3 -1,-0.2 0.901 110.8 53.3 -55.7 -42.7 1.6 -4.9 12.1 22 25 A A H 3<5S+ 0 0 8 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.834 107.8 51.1 -63.0 -30.6 1.8 -1.5 10.4 23 26 A A T 3<5S- 0 0 32 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.455 119.1-117.3 -83.9 -0.1 1.8 -3.3 7.1 24 27 A G T < 5 + 0 0 38 -3,-1.7 2,-0.6 -4,-0.3 -3,-0.2 0.824 63.6 150.8 68.2 32.0 -1.2 -5.1 8.3 25 28 A V < - 0 0 22 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.872 43.1-135.1-102.5 121.0 0.6 -8.5 8.1 26 29 A E - 0 0 135 -2,-0.6 2,-0.3 -3,-0.1 -5,-0.0 -0.560 32.8-176.4 -73.4 129.6 -0.6 -11.2 10.5 27 30 A F - 0 0 31 -2,-0.3 2,-0.3 -26,-0.1 -24,-0.2 -0.840 21.3-133.3-130.4 167.1 2.3 -12.9 12.1 28 31 A E E -a 3 0A 94 -26,-3.1 -24,-3.3 -2,-0.3 2,-0.4 -0.837 12.2-150.9-115.1 152.9 3.2 -15.8 14.5 29 32 A E E -a 4 0A 42 -2,-0.3 2,-0.8 -26,-0.2 -24,-0.2 -0.990 6.2-164.8-128.7 128.2 5.6 -15.8 17.4 30 33 A K E -a 5 0A 95 -26,-2.5 -24,-0.7 -2,-0.4 2,-0.2 -0.839 27.3-145.4-110.2 90.8 7.5 -18.9 18.7 31 34 A F E -a 6 0A 64 -2,-0.8 2,-0.5 -26,-0.2 -24,-0.2 -0.365 3.5-142.5 -66.2 125.5 8.7 -17.7 22.1 32 35 A I E +a 7 0A 6 -26,-1.7 -24,-0.6 -2,-0.2 184,-0.1 -0.751 24.6 172.7 -82.9 126.9 12.1 -18.9 23.4 33 36 A K + 0 0 128 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.662 58.1 26.9-110.1 -23.7 11.6 -19.5 27.1 34 37 A S S > S- 0 0 22 182,-0.1 4,-1.4 1,-0.1 3,-0.3 -0.880 77.7-108.9-137.8 168.2 14.9 -21.1 28.0 35 38 A A H > S+ 0 0 19 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.790 121.1 56.5 -65.5 -27.3 18.6 -21.3 27.0 36 39 A E H > S+ 0 0 128 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.806 100.4 56.2 -74.5 -31.5 17.8 -24.8 25.9 37 40 A D H > S+ 0 0 52 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.868 111.3 45.6 -67.1 -34.7 15.0 -23.6 23.6 38 41 A L H X S+ 0 0 1 -4,-1.4 4,-2.1 2,-0.2 3,-0.4 0.936 105.6 58.1 -71.6 -48.2 17.7 -21.4 22.0 39 42 A D H X S+ 0 0 61 -4,-2.2 4,-3.2 1,-0.3 -1,-0.2 0.774 104.2 54.4 -53.3 -29.9 20.4 -24.1 21.7 40 43 A K H X S+ 0 0 117 -4,-1.2 4,-2.7 2,-0.2 -1,-0.3 0.905 102.8 52.8 -74.0 -42.5 18.0 -26.1 19.6 41 44 A L H <>S+ 0 0 9 -4,-1.1 5,-2.2 -3,-0.4 6,-0.6 0.939 114.6 47.2 -57.3 -42.1 17.4 -23.4 17.1 42 45 A R H ><5S+ 0 0 68 -4,-2.1 3,-2.6 1,-0.2 5,-0.3 0.989 114.0 42.4 -60.4 -65.6 21.2 -23.3 16.9 43 46 A N H 3<5S+ 0 0 135 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.737 108.4 62.9 -55.8 -23.9 21.8 -27.1 16.6 44 47 A D T 3<5S- 0 0 79 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.349 113.7-119.0 -84.3 7.7 18.9 -27.2 14.2 45 48 A G T < 5S+ 0 0 42 -3,-2.6 -3,-0.2 -5,-0.1 -2,-0.1 0.662 79.4 123.7 64.9 19.2 20.8 -25.0 11.8 46 49 A Y < + 0 0 68 -5,-2.2 2,-0.6 -6,-0.3 -4,-0.2 0.709 60.3 63.1 -81.2 -22.9 18.1 -22.2 11.9 47 50 A L > - 0 0 2 -6,-0.6 3,-1.9 -5,-0.3 -1,-0.2 -0.879 63.8-161.3-112.1 106.5 20.4 -19.5 13.1 48 51 A M T 3 S+ 0 0 36 -2,-0.6 -1,-0.1 1,-0.3 14,-0.0 0.849 98.8 22.6 -51.0 -43.8 23.3 -18.4 10.8 49 52 A F T 3 S- 0 0 1 2,-0.3 -1,-0.3 298,-0.1 3,-0.1 0.031 116.4-104.9-112.6 25.6 25.3 -16.7 13.5 50 53 A Q S < S+ 0 0 62 -3,-1.9 2,-0.3 1,-0.2 -8,-0.1 0.751 87.6 109.8 59.1 28.0 23.6 -18.7 16.3 51 54 A Q - 0 0 64 2,-0.1 -2,-0.3 -10,-0.1 -1,-0.2 -0.856 56.2-111.0-130.0 164.6 21.6 -15.7 17.3 52 55 A V S S+ 0 0 18 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.816 74.2 88.8-123.7 164.8 18.1 -14.4 17.2 53 56 A P + 0 0 4 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.385 63.4 166.0 -57.0 145.2 16.0 -12.5 16.1 54 57 A M E -BC 5 63A 0 -49,-1.3 -49,-2.9 9,-0.2 2,-0.4 -0.984 16.5-164.6-137.7 139.6 15.3 -15.0 13.4 55 58 A V E -BC 4 62A 1 7,-2.6 7,-2.5 -2,-0.4 2,-0.8 -0.991 14.9-145.4-134.5 127.7 12.3 -14.8 11.2 56 59 A E E +BC 3 61A 57 -53,-2.7 -53,-2.1 -2,-0.4 2,-0.4 -0.821 39.1 154.4 -92.5 110.7 10.8 -17.4 8.9 57 60 A I E > - C 0 60A 8 3,-2.0 3,-2.1 -2,-0.8 -2,-0.1 -0.999 58.9 -13.0-142.8 136.3 9.4 -15.6 5.9 58 61 A D T 3 S- 0 0 69 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.809 127.1 -46.7 42.2 47.1 8.8 -16.7 2.3 59 62 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.380 118.0 88.0 86.3 -5.9 10.7 -19.9 2.6 60 63 A M E < S-C 57 0A 36 -3,-2.1 -3,-2.0 -5,-0.1 2,-0.9 -0.907 71.1-123.5-130.6 159.4 13.9 -18.7 4.3 61 64 A K E -C 56 0A 78 -2,-0.3 2,-0.5 -5,-0.2 -13,-0.2 -0.815 31.9-166.1-101.3 97.3 15.3 -18.2 7.8 62 65 A L E +C 55 0A 0 -7,-2.5 -7,-2.6 -2,-0.9 2,-0.2 -0.712 9.8 176.9 -89.7 125.9 16.4 -14.6 8.1 63 66 A V E +C 54 0A 4 -2,-0.5 -9,-0.2 -9,-0.2 4,-0.1 -0.678 44.0 68.9-113.9 173.4 18.6 -13.5 11.0 64 67 A Q S >> S- 0 0 19 -11,-0.8 4,-2.1 -2,-0.2 3,-1.2 0.814 76.2-119.7 78.2 106.2 20.0 -10.0 11.7 65 68 A T H 3> S+ 0 0 27 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.820 110.9 49.4 -37.9 -53.2 17.5 -7.3 12.5 66 69 A R H 3> S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.817 108.6 52.5 -65.2 -31.2 18.4 -5.1 9.6 67 70 A A H <> S+ 0 0 0 -3,-1.2 4,-2.0 241,-0.2 -1,-0.2 0.927 112.0 47.3 -68.9 -43.9 18.1 -8.0 7.1 68 71 A I H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.958 115.9 43.0 -59.6 -54.7 14.6 -8.8 8.5 69 72 A L H X S+ 0 0 13 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.914 112.6 52.1 -61.1 -46.3 13.4 -5.2 8.4 70 73 A N H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.884 111.7 47.7 -58.1 -41.5 14.9 -4.4 5.0 71 74 A Y H X S+ 0 0 6 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.937 115.0 43.8 -64.8 -50.9 13.1 -7.4 3.5 72 75 A I H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.935 112.7 52.7 -61.8 -46.3 9.8 -6.7 5.0 73 76 A A H <>S+ 0 0 0 -4,-3.2 5,-3.2 -5,-0.2 6,-0.6 0.902 113.4 43.5 -57.9 -42.0 10.0 -3.0 4.2 74 77 A S H ><5S+ 0 0 36 -4,-2.0 3,-1.5 -5,-0.2 -1,-0.2 0.928 112.4 51.8 -69.3 -45.9 10.7 -3.8 0.5 75 78 A K H 3<5S+ 0 0 68 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.880 114.7 42.3 -58.8 -40.6 8.1 -6.5 0.2 76 79 A Y T 3<5S- 0 0 65 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.045 114.0-112.0-100.0 28.0 5.3 -4.3 1.6 77 80 A N T < 5S+ 0 0 117 -3,-1.5 -3,-0.2 1,-0.1 3,-0.2 0.836 83.0 121.4 45.9 47.5 6.2 -1.1 -0.3 78 81 A L < + 0 0 13 -5,-3.2 74,-2.8 -6,-0.2 75,-0.3 0.082 53.1 80.3-119.0 16.0 7.3 0.7 2.8 79 82 A Y S S- 0 0 6 -6,-0.6 3,-0.2 1,-0.4 -1,-0.1 -0.029 102.7-103.2-113.0 28.2 10.9 1.3 1.5 80 83 A G - 0 0 26 70,-0.2 -1,-0.4 -3,-0.2 3,-0.1 -0.067 36.5 -80.7 77.8 178.0 10.1 4.3 -0.8 81 84 A K S S+ 0 0 158 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.582 98.1 4.7 -98.2 -13.3 9.8 4.3 -4.6 82 85 A D S > S- 0 0 54 -3,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.941 84.4 -81.1-158.1 179.4 13.5 4.4 -5.8 83 86 A I H > S+ 0 0 42 -2,-0.3 4,-1.5 1,-0.2 210,-0.1 0.828 123.7 50.8 -59.4 -36.4 17.1 4.3 -4.8 84 87 A K H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.874 109.9 48.7 -72.6 -36.4 17.2 8.0 -3.8 85 88 A E H > S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.914 109.6 52.5 -69.2 -39.6 14.1 7.7 -1.6 86 89 A R H X S+ 0 0 53 -4,-2.3 4,-3.9 1,-0.2 5,-0.2 0.875 104.8 57.9 -60.6 -36.9 15.6 4.6 0.1 87 90 A A H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.922 109.0 43.4 -59.1 -45.9 18.7 6.7 0.8 88 91 A L H X S+ 0 0 52 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.956 116.1 48.2 -64.4 -49.4 16.7 9.3 2.7 89 92 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.932 112.6 49.1 -55.1 -48.6 14.8 6.6 4.5 90 93 A D H X S+ 0 0 4 -4,-3.9 4,-1.9 1,-0.2 -1,-0.2 0.912 111.2 48.6 -59.0 -45.9 18.1 4.8 5.3 91 94 A M H X S+ 0 0 11 -4,-2.5 4,-1.0 -5,-0.2 -1,-0.2 0.912 115.1 46.2 -61.9 -41.4 19.7 7.9 6.6 92 95 A Y H X S+ 0 0 24 -4,-2.7 4,-1.6 1,-0.2 3,-0.3 0.948 114.9 43.9 -68.4 -49.2 16.7 8.7 8.7 93 96 A I H X S+ 0 0 9 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.742 108.2 57.7 -71.8 -22.6 16.1 5.2 10.2 94 97 A E H X S+ 0 0 13 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.819 106.9 49.9 -75.1 -27.0 19.8 4.7 11.0 95 98 A G H X S+ 0 0 0 -4,-1.0 4,-1.4 -3,-0.3 -2,-0.2 0.883 111.6 49.3 -72.1 -37.3 19.7 7.8 13.1 96 99 A I H X S+ 0 0 11 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.875 109.7 50.5 -67.1 -40.4 16.6 6.4 14.8 97 100 A A H X S+ 0 0 32 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.867 104.5 58.6 -67.7 -35.1 18.4 3.0 15.4 98 101 A D H X S+ 0 0 47 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.905 115.0 35.8 -60.6 -40.8 21.4 4.9 16.9 99 102 A L H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.906 116.2 53.7 -77.5 -45.1 19.1 6.4 19.5 100 103 A G H X S+ 0 0 22 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.891 106.4 54.5 -56.0 -40.4 16.9 3.3 19.8 101 104 A E H X S+ 0 0 71 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.908 106.2 50.3 -60.8 -44.9 20.0 1.3 20.5 102 105 A M H < S+ 0 0 43 -4,-1.2 4,-0.3 1,-0.2 -1,-0.2 0.882 114.3 44.9 -61.3 -39.7 21.1 3.5 23.4 103 106 A I H >< S+ 0 0 28 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.888 110.1 55.4 -71.6 -39.0 17.6 3.2 24.9 104 107 A L H 3< S+ 0 0 56 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.809 112.4 42.4 -63.6 -31.7 17.5 -0.5 24.3 105 108 A L T 3X S+ 0 0 62 -4,-1.7 4,-1.2 1,-0.2 3,-0.3 0.342 84.3 95.2-100.5 6.9 20.8 -1.1 26.2 106 109 A L T <4 S+ 0 0 14 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.887 87.6 47.5 -64.7 -39.6 20.2 1.2 29.2 107 110 A P T 4 S+ 0 0 63 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.674 113.3 47.9 -75.8 -17.0 18.9 -1.7 31.4 108 111 A V T 4 S+ 0 0 88 -3,-0.3 -2,-0.2 -4,-0.1 -3,-0.1 0.639 90.5 109.3 -92.0 -19.8 21.8 -3.9 30.4 109 112 A C S < S- 0 0 18 -4,-1.2 5,-0.1 1,-0.1 -3,-0.0 -0.194 87.7 -93.7 -57.0 143.2 24.1 -1.1 31.1 110 113 A P > - 0 0 59 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.358 36.5-119.4 -60.0 142.1 26.2 -1.6 34.3 111 114 A P G > S+ 0 0 109 0, 0.0 3,-2.2 0, 0.0 4,-0.5 0.898 106.1 61.3 -46.7 -55.8 24.5 0.1 37.3 112 115 A E G 3 S+ 0 0 159 1,-0.3 4,-0.2 2,-0.1 -3,-0.0 0.576 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-1,-0.3 -135,-0.1 3,-0.1 0.112 115.5-105.3-117.1 19.5 23.0 14.1 13.0 268 53 B Q S < S+ 0 0 60 -3,-2.0 2,-0.3 1,-0.2 -8,-0.1 0.724 87.7 109.5 64.2 24.0 26.1 16.3 13.4 269 54 B Q - 0 0 63 2,-0.1 -2,-0.3 -10,-0.1 -1,-0.2 -0.844 55.8-114.8-128.3 162.4 28.2 13.2 12.6 270 55 B V S S+ 0 0 17 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.799 72.1 89.4-122.3 166.5 30.5 11.8 9.9 271 56 B P + 0 0 4 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.434 62.8 165.3 -58.7 153.7 31.0 9.7 7.8 272 57 B M E -EF 223 281B 0 -49,-1.1 -49,-3.0 9,-0.2 2,-0.4 -0.979 16.9-165.5-145.9 132.9 29.2 11.9 5.2 273 58 B V E -EF 222 280B 0 7,-2.9 7,-2.8 -2,-0.3 2,-0.7 -0.986 13.7-148.4-127.3 133.9 29.3 11.4 1.5 274 59 B E E +EF 221 279B 58 -53,-2.2 -53,-2.5 -2,-0.4 2,-0.3 -0.879 37.0 154.6 -97.1 115.3 28.2 13.8 -1.3 275 60 B I E > - F 0 278B 7 3,-1.7 3,-1.8 -2,-0.7 -2,-0.1 -0.989 60.6 -5.6-147.7 135.5 27.1 11.6 -4.2 276 61 B D T 3 S- 0 0 65 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.862 129.5 -52.3 50.3 42.1 24.6 12.3 -7.0 277 62 B G T 3 S+ 0 0 84 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.498 115.2 102.1 78.6 3.7 23.7 15.7 -5.5 278 63 B M E < -F 275 0B 32 -3,-1.8 -3,-1.7 2,-0.0 2,-0.7 -0.834 65.5-133.1-118.9 161.9 22.8 14.6 -2.0 279 64 B K E -F 274 0B 80 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.900 31.6-170.8-113.3 99.2 24.6 14.7 1.4 280 65 B L E +F 273 0B 0 -7,-2.8 -7,-2.9 -2,-0.7 2,-0.2 -0.822 8.8 179.8-100.9 124.5 24.3 11.3 2.9 281 66 B V E +F 272 0B 2 -2,-0.5 -9,-0.2 -9,-0.2 4,-0.1 -0.629 45.2 68.0-109.1 172.7 25.3 10.5 6.5 282 67 B Q S >> S- 0 0 20 -11,-0.9 4,-1.8 -2,-0.2 3,-1.0 0.796 76.6-117.6 80.3 109.9 25.1 7.1 8.3 283 68 B T H 3> S+ 0 0 23 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.852 111.1 48.2 -38.4 -57.2 27.4 4.4 7.1 284 69 B R H 3> S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.810 108.0 54.4 -61.0 -33.4 24.6 2.0 6.0 285 70 B A H <> S+ 0 0 0 -3,-1.0 4,-1.8 -195,-0.2 -1,-0.2 0.910 112.9 44.7 -66.2 -42.2 22.7 4.6 4.1 286 71 B I H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.955 116.1 43.9 -66.0 -54.3 25.8 5.4 2.1 287 72 B L H X S+ 0 0 10 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.920 112.9 52.9 -59.3 -45.0 26.8 1.7 1.5 288 73 B N H X S+ 0 0 11 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.906 111.0 46.3 -57.6 -45.6 23.2 0.7 0.6 289 74 B Y H X S+ 0 0 8 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.965 115.8 44.5 -62.0 -54.2 22.9 3.5 -2.0 290 75 B I H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.898 111.5 54.4 -58.6 -42.3 26.3 2.8 -3.6 291 76 B A H <>S+ 0 0 0 -4,-3.2 5,-3.6 -5,-0.2 6,-0.5 0.928 113.6 41.2 -57.6 -49.1 25.6 -1.0 -3.5 292 77 B S H ><5S+ 0 0 24 -4,-2.2 3,-1.8 3,-0.2 -2,-0.2 0.909 110.3 57.3 -66.3 -46.0 22.3 -0.6 -5.4 293 78 B K H 3<5S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.881 114.5 37.1 -54.7 -42.3 23.6 2.0 -7.8 294 79 B Y T 3<5S- 0 0 68 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.035 115.3-110.8-101.9 27.8 26.4 -0.2 -9.1 295 80 B N T < 5S+ 0 0 113 -3,-1.8 -3,-0.2 1,-0.1 3,-0.2 0.855 81.6 124.9 46.2 49.9 24.3 -3.4 -9.0 296 81 B L < + 0 0 12 -5,-3.6 71,-3.4 -6,-0.2 72,-0.3 0.068 53.9 79.1-118.1 18.2 26.3 -4.9 -6.1 297 82 B Y S S- 0 0 10 -6,-0.5 -1,-0.1 1,-0.4 10,-0.1 0.040 106.1 -92.2-116.0 25.0 23.2 -5.5 -4.0 298 83 B G - 0 0 33 67,-0.2 -1,-0.4 -3,-0.2 3,-0.1 -0.101 35.7 -92.0 87.6 169.3 21.8 -8.6 -5.6 299 84 B K S S+ 0 0 160 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.641 97.8 10.3 -96.0 -16.9 19.3 -9.0 -8.4 300 85 B D S > S- 0 0 64 -3,-0.1 4,-1.9 1,-0.0 5,-0.1 -0.881 85.7 -84.5-149.3-178.0 16.2 -9.2 -6.2 301 86 B I H > S+ 0 0 51 -2,-0.3 4,-1.3 1,-0.2 -226,-0.1 0.805 121.9 50.5 -60.9 -36.7 14.6 -8.8 -2.8 302 87 B K H > S+ 0 0 90 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 110.4 48.1 -72.5 -40.6 15.5 -12.3 -1.7 303 88 B E H > S+ 0 0 32 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.864 108.6 55.4 -68.0 -32.8 19.1 -12.0 -2.7 304 89 B R H X S+ 0 0 20 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.861 105.2 53.7 -66.6 -33.0 19.2 -8.6 -0.9 305 90 B A H X S+ 0 0 1 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.941 110.8 44.5 -66.5 -45.4 18.0 -10.4 2.3 306 91 B L H X S+ 0 0 57 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.926 114.9 49.7 -63.1 -43.8 20.9 -13.0 2.0 307 92 B I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.948 112.9 46.4 -59.8 -47.8 23.3 -10.2 1.3 308 93 B D H X S+ 0 0 2 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.857 111.2 51.4 -63.1 -37.8 22.0 -8.2 4.3 309 94 B M H X S+ 0 0 13 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.945 114.0 45.2 -64.8 -45.6 22.1 -11.2 6.6 310 95 B Y H X S+ 0 0 20 -4,-2.6 4,-1.9 1,-0.2 3,-0.4 0.962 115.5 43.4 -62.2 -56.5 25.7 -11.9 5.6 311 96 B I H X S+ 0 0 8 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.774 109.5 57.0 -66.4 -25.4 27.0 -8.3 5.8 312 97 B E H X S+ 0 0 9 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.858 106.5 49.9 -72.9 -32.2 25.3 -7.6 9.1 313 98 B G H X S+ 0 0 0 -4,-1.4 4,-1.8 -3,-0.4 -2,-0.2 0.922 113.0 48.2 -67.2 -40.3 27.0 -10.5 10.6 314 99 B I H X S+ 0 0 12 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.920 108.3 53.3 -62.0 -46.0 30.2 -9.0 9.2 315 100 B A H X S+ 0 0 32 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.863 106.8 53.4 -58.6 -38.5 29.3 -5.6 10.5 316 101 B D H X S+ 0 0 48 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.917 111.6 43.6 -63.0 -46.4 28.9 -7.1 14.0 317 102 B L H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.805 115.1 50.7 -69.8 -30.0 32.4 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48 2,-0.2 4,-1.5 -165,-0.2 5,-0.1 0.913 117.3 42.7 -68.1 -44.2 39.4 -3.1 -9.4 406 194 B V H > S+ 0 0 1 -6,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.899 112.3 54.4 -69.9 -38.6 40.1 -4.6 -6.1 407 195 B K H X S+ 0 0 96 -4,-3.5 4,-1.1 1,-0.2 3,-0.3 0.895 107.4 51.6 -60.3 -40.2 43.6 -5.4 -7.0 408 196 B K H < S+ 0 0 141 -4,-1.8 3,-0.3 -5,-0.3 -1,-0.2 0.875 108.5 50.4 -63.9 -38.3 44.1 -1.8 -7.9 409 197 B F H < S+ 0 0 7 -4,-1.5 7,-0.4 1,-0.2 -1,-0.2 0.717 109.5 53.5 -72.5 -21.2 42.8 -0.7 -4.5 410 198 B L H < S+ 0 0 29 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.684 90.7 88.5 -87.5 -20.8 45.2 -3.1 -2.8 411 199 B Q S >< S- 0 0 108 -4,-1.1 3,-1.3 -3,-0.3 5,-0.2 -0.391 93.9 -77.4 -76.7 159.0 48.4 -1.9 -4.5 412 200 B P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.098 113.0 31.9 -54.4 150.8 50.4 1.0 -2.9 413 201 B G T 3 S+ 0 0 85 1,-0.3 -2,-0.1 3,-0.1 -3,-0.1 0.320 86.6 132.0 84.3 -8.3 49.3 4.5 -3.2 414 202 B S S < S- 0 0 28 -3,-1.3 -1,-0.3 1,-0.1 -5,-0.1 -0.226 75.2-104.7 -72.4 166.3 45.6 3.6 -3.2 415 203 B P S S+ 0 0 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2,-0.2 -1,-0.3 0.900 108.3 37.6 -70.6 -37.0 43.6 7.4 17.6 426 214 B E H