==== 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 05-NOV-08 3F63 . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE GST1-4; . SOURCE 2 ORGANISM_SCIENTIFIC: ANOPHELES DIRUS; . AUTHOR J.WONGSANTICHON,R.C.ROBINSON,A.J.KETTERMAN . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.7 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 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 . 16 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 46.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.7 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 1 0 1 2 0 0 0 2 4 4 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 4 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 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 1 A M 0 0 46 0, 0.0 26,-2.7 0, 0.0 56,-0.2 0.000 360.0 360.0 360.0 118.5 -7.9 2.5 38.4 2 2 A D E -aB 27 56A 53 54,-1.6 54,-2.5 55,-0.2 2,-0.5 -0.476 360.0-163.2 -74.9 138.3 -4.6 4.1 39.2 3 3 A F E -aB 28 55A 0 24,-2.9 26,-2.7 52,-0.2 2,-0.6 -0.923 5.5-158.5-129.7 102.9 -4.5 7.9 39.0 4 4 A Y E +aB 29 54A 35 50,-3.0 50,-1.5 -2,-0.5 2,-0.3 -0.747 43.5 124.4 -83.3 119.9 -1.1 9.6 38.8 5 5 A Y E -a 30 0A 26 24,-1.8 26,-2.1 -2,-0.6 3,-0.1 -0.916 54.5-130.9-158.8 173.4 -1.7 13.2 39.9 6 6 A L > - 0 0 26 -2,-0.3 3,-1.0 24,-0.2 6,-0.2 -0.971 26.9-131.6-139.1 141.3 -1.0 16.2 42.0 7 7 A P T 3 S+ 0 0 35 0, 0.0 205,-0.2 0, 0.0 6,-0.1 0.857 106.0 58.7 -61.2 -33.8 -3.9 18.2 43.7 8 8 A G T 3 S+ 0 0 8 203,-0.1 2,-0.4 202,-0.1 204,-0.1 0.748 83.0 101.2 -65.2 -24.4 -2.5 21.5 42.4 9 9 A S <> - 0 0 21 -3,-1.0 4,-2.2 1,-0.1 5,-0.2 -0.503 63.1-152.3 -71.1 117.2 -2.7 20.4 38.8 10 10 A A H > S+ 0 0 1 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.928 96.4 49.1 -52.9 -52.1 -5.8 21.8 37.0 11 11 A P H > S+ 0 0 30 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.887 110.0 52.6 -62.6 -32.8 -6.0 18.9 34.5 12 12 A C H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.924 109.1 50.2 -60.4 -42.6 -5.8 16.4 37.4 13 13 A R H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.868 104.3 57.3 -67.3 -36.9 -8.7 18.2 39.1 14 14 A A H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.911 109.5 46.0 -57.3 -43.9 -10.8 18.1 35.9 15 15 A V H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.922 109.2 55.5 -64.2 -43.5 -10.4 14.3 36.0 16 16 A Q H X S+ 0 0 20 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 110.0 45.2 -54.4 -46.3 -11.2 14.2 39.7 17 17 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.904 114.8 48.2 -64.7 -43.0 -14.5 16.1 39.1 18 18 A T H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.920 110.7 49.8 -65.3 -45.5 -15.4 13.8 36.2 19 19 A A H X>S+ 0 0 1 -4,-3.3 5,-2.4 2,-0.2 4,-0.9 0.928 112.2 49.6 -57.7 -44.6 -14.6 10.6 38.0 20 20 A A H ><5S+ 0 0 47 -4,-2.2 3,-0.8 -5,-0.3 -2,-0.2 0.924 108.2 53.5 -59.6 -45.3 -16.8 11.8 40.9 21 21 A A H 3<5S+ 0 0 19 -4,-2.4 -1,-0.2 179,-0.3 -2,-0.2 0.833 114.4 40.9 -58.0 -35.5 -19.6 12.7 38.5 22 22 A V H 3<5S- 0 0 10 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.468 114.0-113.3 -97.7 -1.3 -19.6 9.1 37.0 23 23 A G T <<5 + 0 0 66 -4,-0.9 2,-0.4 -3,-0.8 -3,-0.2 0.775 65.6 145.4 79.7 28.3 -19.1 7.3 40.4 24 24 A V < - 0 0 23 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.3 -0.841 43.0-138.5-100.6 129.5 -15.6 6.0 39.6 25 25 A E - 0 0 169 -2,-0.4 2,-0.5 -5,-0.0 -5,-0.0 -0.778 14.7-148.0 -89.3 130.0 -13.1 5.7 42.5 26 26 A L - 0 0 27 -2,-0.5 2,-0.9 -10,-0.1 -24,-0.2 -0.854 10.3-137.6 -97.7 133.3 -9.6 6.8 41.7 27 27 A N E -a 2 0A 85 -26,-2.7 -24,-2.9 -2,-0.5 2,-0.3 -0.824 33.8-136.5 -84.6 104.6 -6.6 5.2 43.4 28 28 A L E -a 3 0A 78 -2,-0.9 2,-0.5 -26,-0.2 -24,-0.2 -0.470 26.3-178.5 -76.9 128.3 -4.6 8.3 44.0 29 29 A K E -a 4 0A 78 -26,-2.7 -24,-1.8 -2,-0.3 -1,-0.1 -0.854 21.9-140.4-128.9 93.9 -0.9 8.2 43.3 30 30 A L E -a 5 0A 113 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.2 -0.294 17.8-166.2 -55.2 132.5 1.0 11.4 44.1 31 31 A T - 0 0 6 -26,-2.1 2,-1.0 7,-0.0 7,-0.1 -0.933 10.0-148.4-130.3 102.7 3.5 12.1 41.4 32 32 A N > - 0 0 58 -2,-0.5 5,-2.5 1,-0.2 6,-0.3 -0.649 15.5-178.1 -82.5 105.1 6.1 14.7 42.3 33 33 A L T > 5S+ 0 0 62 -2,-1.0 3,-1.9 1,-0.2 -1,-0.2 0.906 83.5 56.2 -67.8 -45.4 7.1 16.5 39.1 34 34 A M T 3 5S+ 0 0 130 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.785 109.4 50.1 -56.6 -26.8 9.6 18.8 40.8 35 35 A A T 3 5S- 0 0 70 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.2 0.442 116.3-116.3 -90.3 -3.8 11.2 15.5 42.1 36 36 A G T X 5 + 0 0 28 -3,-1.9 3,-1.7 -4,-0.2 -3,-0.2 0.681 68.9 140.7 77.6 20.3 11.3 13.9 38.6 37 37 A E G > S- 0 0 96 -3,-1.0 4,-2.3 1,-0.1 3,-0.9 -0.533 76.1-116.9 -72.5 142.0 11.3 7.3 36.3 41 41 A P H 3> S+ 0 0 76 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.822 113.8 53.1 -52.2 -40.0 11.7 4.5 33.8 42 42 A E H 3> S+ 0 0 114 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.853 111.1 47.3 -65.2 -36.4 8.5 2.7 34.9 43 43 A F H X> S+ 0 0 9 -3,-0.9 4,-3.1 -6,-0.2 3,-0.6 0.930 109.6 51.8 -67.9 -47.5 6.5 5.9 34.5 44 44 A L H 3< S+ 0 0 54 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.825 105.6 57.7 -58.3 -31.6 7.9 6.6 31.0 45 45 A K H 3< S+ 0 0 167 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.827 112.7 38.8 -68.5 -33.4 6.9 3.0 30.1 46 46 A L H << S+ 0 0 55 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.876 139.2 11.5 -76.6 -42.3 3.3 3.8 31.0 47 47 A N >< - 0 0 0 -4,-3.1 3,-2.2 -9,-0.1 -1,-0.3 -0.833 58.2-172.9-144.2 96.9 3.4 7.3 29.5 48 48 A P T 3 S+ 0 0 36 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.695 89.0 66.5 -67.0 -17.3 6.4 8.3 27.4 49 49 A Q T 3 S- 0 0 20 2,-0.1 -5,-0.1 -5,-0.1 314,-0.1 0.458 97.0-146.1 -78.7 -3.5 4.9 11.9 27.4 50 50 A H < + 0 0 31 -3,-2.2 2,-0.3 -7,-0.2 -12,-0.1 0.855 47.7 130.7 40.7 58.4 5.7 11.9 31.2 51 51 A C - 0 0 39 2,-0.1 -1,-0.1 -4,-0.1 -47,-0.1 -0.952 49.2 -90.1-139.2 157.3 2.7 14.1 32.2 52 52 A I S S+ 0 0 18 -2,-0.3 -40,-0.2 12,-0.1 -47,-0.1 -0.932 90.8 50.0-117.8 145.2 -0.1 14.1 34.7 53 53 A P + 0 0 3 0, 0.0 12,-0.7 0, 0.0 2,-0.4 0.402 68.2 167.2 -76.1 149.3 -2.9 13.2 34.9 54 54 A T E -BC 4 64A 0 -50,-1.5 -50,-3.0 10,-0.2 2,-0.4 -0.999 15.9-161.6-126.9 131.6 -2.2 9.6 33.8 55 55 A L E -BC 3 63A 1 8,-3.0 8,-2.7 -2,-0.4 2,-0.5 -0.942 6.5-165.0-112.4 134.2 -4.9 7.0 34.3 56 56 A V E -BC 2 62A 17 -54,-2.5 -54,-1.6 -2,-0.4 6,-0.2 -0.974 20.4-150.5-117.8 114.9 -4.3 3.3 34.3 57 57 A D > - 0 0 8 4,-2.8 3,-1.6 -2,-0.5 -55,-0.2 0.004 34.0 -84.5 -78.9-176.2 -7.5 1.3 33.9 58 58 A E T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.740 128.9 45.9 -61.3 -26.3 -8.5 -2.1 35.2 59 59 A D T 3 S- 0 0 113 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.336 122.9-100.6 -97.2 4.5 -7.0 -3.8 32.1 60 60 A G < + 0 0 43 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.525 69.6 154.5 83.6 7.7 -3.8 -1.8 32.2 61 61 A F - 0 0 37 -5,-0.1 -4,-2.8 1,-0.0 2,-0.4 -0.556 32.6-148.9 -67.0 128.0 -4.9 0.5 29.4 62 62 A V E +C 56 0A 28 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.870 20.5 174.0-107.3 131.9 -3.0 3.8 30.0 63 63 A L E +C 55 0A 4 -8,-2.7 -8,-3.0 -2,-0.4 2,-0.2 -0.997 5.6 176.3-138.4 141.2 -4.4 7.2 29.0 64 64 A W E +C 54 0A 21 -2,-0.4 -10,-0.2 -10,-0.2 4,-0.1 -0.792 42.8 82.4-135.5-175.4 -3.3 10.8 29.5 65 65 A E S >> S- 0 0 31 -12,-0.7 4,-2.3 -2,-0.2 3,-0.7 0.752 71.5-126.7 69.1 108.3 -4.6 14.3 28.5 66 66 A S H 3> S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.830 106.2 52.7 -50.8 -39.4 -7.2 15.1 31.0 67 67 A R H 3> S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.822 108.9 48.8 -77.3 -29.2 -9.9 15.9 28.4 68 68 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.878 112.6 49.8 -69.0 -40.2 -9.5 12.5 26.7 69 69 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.923 107.5 54.5 -62.4 -43.5 -9.7 10.9 30.1 70 70 A Q H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.940 111.1 44.3 -56.7 -47.1 -12.9 12.9 30.9 71 71 A I H X S+ 0 0 1 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.923 113.2 51.0 -64.1 -44.1 -14.5 11.5 27.7 72 72 A Y H X>S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 5,-0.6 0.902 108.0 53.0 -58.8 -44.1 -13.3 8.0 28.3 73 73 A L H X>S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 5,-1.6 0.923 113.1 43.8 -59.4 -44.8 -14.7 8.1 31.9 74 74 A V H X>S+ 0 0 2 -4,-2.0 5,-1.5 -5,-0.2 4,-0.6 0.961 117.3 44.1 -65.5 -50.8 -18.1 9.2 30.6 75 75 A E H <5S+ 0 0 39 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.873 127.5 25.8 -63.8 -42.7 -18.3 6.7 27.7 76 76 A K H <5S+ 0 0 68 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.2 0.851 137.7 20.6 -92.0 -38.0 -17.0 3.6 29.5 77 77 A Y H << S- 0 0 66 -3,-1.9 4,-2.3 1,-0.2 5,-0.2 -0.852 80.8-169.6 -97.3 93.4 -26.6 5.7 33.5 82 82 A A H > S+ 0 0 70 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.886 83.0 48.5 -55.5 -45.1 -27.8 6.8 30.0 83 83 A D H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 110.4 51.5 -61.1 -45.2 -29.3 10.0 31.3 84 84 A L H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.905 111.5 46.5 -59.1 -45.9 -26.1 10.9 33.3 85 85 A A H X S+ 0 0 15 -4,-2.3 4,-2.4 -7,-0.4 -1,-0.2 0.893 110.1 53.7 -65.2 -41.1 -23.9 10.4 30.2 86 86 A E H < S+ 0 0 82 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.899 111.6 46.0 -60.8 -39.8 -26.3 12.4 28.0 87 87 A R H < S+ 0 0 101 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.943 118.2 41.1 -66.3 -48.3 -26.1 15.3 30.5 88 88 A L H < S+ 0 0 13 -4,-2.4 75,-2.7 1,-0.3 76,-0.3 0.761 137.0 11.8 -70.9 -29.3 -22.3 15.2 30.8 89 89 A Y S < S- 0 0 4 -4,-2.4 -1,-0.3 73,-0.2 -2,-0.2 -0.538 81.7-145.9-154.3 75.4 -21.6 14.6 27.2 90 90 A P - 0 0 2 0, 0.0 -4,-0.1 0, 0.0 9,-0.1 -0.144 3.9-148.3 -55.3 139.2 -24.6 15.1 24.9 91 91 A S + 0 0 67 4,-0.1 -5,-0.0 5,-0.1 -6,-0.0 0.654 63.6 107.9 -88.3 -20.3 -24.6 12.7 21.9 92 92 A D S > S- 0 0 80 1,-0.1 4,-3.3 2,-0.0 5,-0.3 -0.442 74.5-131.5 -57.2 125.3 -26.3 14.9 19.3 93 93 A P H > S+ 0 0 33 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.866 104.5 48.9 -53.2 -37.8 -23.4 15.8 16.9 94 94 A R H > S+ 0 0 69 2,-0.2 4,-1.3 1,-0.2 197,-0.1 0.954 115.9 42.1 -64.6 -50.4 -24.2 19.5 16.9 95 95 A R H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.910 115.7 50.3 -63.0 -42.1 -24.5 19.7 20.8 96 96 A R H X S+ 0 0 23 -4,-3.3 4,-3.1 1,-0.2 -1,-0.2 0.875 102.5 61.2 -65.1 -36.9 -21.4 17.5 21.2 97 97 A A H X S+ 0 0 1 -4,-2.1 4,-3.0 -5,-0.3 -1,-0.2 0.864 103.6 49.5 -57.3 -39.9 -19.4 19.7 18.8 98 98 A V H X S+ 0 0 27 -4,-1.3 4,-2.6 -3,-0.3 -1,-0.2 0.930 110.1 50.8 -66.9 -43.8 -19.8 22.7 21.1 99 99 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.949 113.1 46.7 -54.2 -49.3 -18.7 20.6 24.0 100 100 A H H X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.926 110.3 52.0 -61.4 -46.3 -15.6 19.6 22.0 101 101 A Q H X S+ 0 0 4 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.910 110.0 49.3 -55.4 -44.1 -14.9 23.1 20.9 102 102 A R H X S+ 0 0 29 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.866 109.9 51.0 -65.8 -37.6 -15.0 24.3 24.5 103 103 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.919 113.6 44.4 -63.9 -44.4 -12.6 21.5 25.6 104 104 A F H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.891 112.0 53.7 -66.5 -40.8 -10.2 22.4 22.9 105 105 A F H X>S+ 0 0 3 -4,-2.8 5,-2.3 -5,-0.2 4,-2.1 0.916 108.1 51.9 -54.7 -46.4 -10.6 26.1 23.8 106 106 A D H <>S+ 0 0 0 -4,-2.4 5,-3.3 3,-0.2 6,-0.6 0.953 116.0 37.2 -59.1 -50.4 -9.8 25.2 27.4 107 107 A V H <5S+ 0 0 13 -4,-2.1 5,-0.3 1,-0.2 -2,-0.2 0.902 127.3 32.8 -68.8 -41.6 -6.5 23.4 26.6 108 108 A A H <5S+ 0 0 17 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.2 0.629 135.6 13.5 -98.2 -19.2 -5.2 25.6 23.7 109 109 A V T X5S+ 0 0 16 -4,-2.1 4,-2.1 -5,-0.4 5,-0.2 0.684 125.3 38.5-120.5 -62.2 -6.5 29.0 24.7 110 110 A L H > S+ 0 0 36 -6,-0.6 4,-2.6 -5,-0.3 -2,-0.2 0.906 109.1 44.1 -57.2 -44.2 -2.5 27.7 27.6 113 113 A R H X S+ 0 0 59 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.830 110.4 55.0 -74.0 -30.1 -2.6 31.5 28.0 114 114 A F H X S+ 0 0 0 -4,-1.3 4,-2.8 -5,-0.2 5,-0.4 0.946 111.6 45.9 -59.0 -49.7 -2.8 31.2 31.8 115 115 A A H X S+ 0 0 8 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.932 111.1 51.0 -60.3 -49.8 0.4 29.1 31.7 116 116 A E H < S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.2 15,-0.2 0.824 117.0 40.8 -61.2 -32.6 2.2 31.5 29.3 117 117 A Y H < S+ 0 0 31 -4,-1.7 14,-0.3 17,-0.2 4,-0.2 0.922 127.5 27.0 -81.0 -46.4 1.5 34.5 31.5 118 118 A Y H >X S+ 0 0 19 -4,-2.8 4,-1.5 -5,-0.2 3,-1.3 0.826 103.8 71.7 -91.1 -35.3 2.0 33.0 35.0 119 119 A Y H 3X S+ 0 0 78 -4,-2.5 4,-2.8 -5,-0.4 3,-0.3 0.863 97.0 53.0 -54.4 -43.1 4.6 30.2 34.5 120 120 A P H 34 S+ 0 0 57 0, 0.0 7,-2.2 0, 0.0 6,-0.5 0.787 112.4 48.5 -59.9 -25.8 7.5 32.6 33.9 121 121 A Q H <4 S+ 0 0 49 -3,-1.3 -2,-0.2 5,-0.3 -3,-0.1 0.775 123.2 27.8 -82.2 -30.8 6.6 34.3 37.1 122 122 A I H < S+ 0 0 10 -4,-1.5 2,-0.2 -3,-0.3 -3,-0.2 0.620 116.3 54.2-110.7 -19.5 6.3 31.2 39.4 123 123 A F S >< S- 0 0 50 -4,-2.8 3,-2.0 -5,-0.3 4,-0.2 -0.721 104.9 -18.4-115.4 165.9 8.7 28.7 37.8 124 124 A G T 3 S+ 0 0 75 1,-0.3 -3,-0.0 -2,-0.2 -5,-0.0 -0.114 132.5 13.2 47.0-120.7 12.3 28.7 36.9 125 125 A Q T 3 S- 0 0 186 1,-0.0 -1,-0.3 2,-0.0 -4,-0.1 0.747 90.0-145.2 -55.0 -32.8 13.8 32.2 36.5 126 126 A K < - 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0 0 0 0, 0.0 9,-0.1 0, 0.0 -4,-0.1 -0.149 4.4-148.0 -53.3 140.3 -13.3 4.4 15.9 310 91 B S + 0 0 66 4,-0.1 -5,-0.0 5,-0.1 -6,-0.0 0.642 63.3 108.1 -89.4 -19.7 -16.2 4.1 18.4 311 92 B D S > S- 0 0 83 1,-0.1 4,-3.4 4,-0.0 5,-0.3 -0.419 75.0-129.7 -55.9 128.8 -14.6 1.8 21.0 312 93 B P H > S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.882 104.7 48.0 -55.6 -40.0 -13.9 4.0 24.0 313 94 B R H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.950 116.2 42.0 -63.1 -50.6 -10.3 2.8 24.3 314 95 B R H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 116.9 48.8 -61.5 -42.6 -9.5 3.3 20.7 315 96 B R H X S+ 0 0 24 -4,-3.4 4,-2.9 1,-0.2 -1,-0.2 0.866 105.0 58.6 -65.9 -35.7 -11.4 6.5 20.6 316 97 B A H X S+ 0 0 1 -4,-2.4 4,-3.0 -5,-0.3 -1,-0.2 0.884 105.8 49.4 -60.8 -38.2 -9.6 7.8 23.7 317 98 B V H X S+ 0 0 28 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.925 109.9 50.8 -67.6 -41.6 -6.2 7.4 21.9 318 99 B V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.951 112.7 47.5 -57.3 -49.8 -7.6 9.3 18.9 319 100 B H H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.928 110.0 51.0 -58.2 -48.4 -8.7 12.1 21.3 320 101 B Q H X S+ 0 0 4 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.909 110.4 50.0 -58.2 -40.3 -5.4 12.2 23.2 321 102 B R H X S+ 0 0 26 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.868 109.8 51.1 -66.8 -38.0 -3.5 12.5 19.8 322 103 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.922 113.7 43.6 -61.0 -46.3 -5.8 15.4 18.7 323 104 B F H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.894 112.1 54.2 -67.8 -39.1 -5.2 17.2 22.0 324 105 B F H X>S+ 0 0 4 -4,-2.9 4,-2.3 -5,-0.3 5,-2.3 0.918 107.8 51.6 -55.2 -45.9 -1.5 16.4 21.7 325 106 B D H <>S+ 0 0 0 -4,-2.3 5,-3.1 3,-0.2 6,-0.7 0.956 116.8 36.7 -58.8 -53.1 -1.5 18.0 18.2 326 107 B V H <5S+ 0 0 14 -4,-2.1 5,-0.3 1,-0.2 -2,-0.2 0.903 127.2 34.4 -66.9 -41.5 -3.2 21.3 19.3 327 108 B A H <5S+ 0 0 17 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.655 135.5 9.1 -95.0 -22.3 -1.5 21.7 22.7 328 109 B V T X5S+ 0 0 17 -4,-2.3 4,-2.3 -5,-0.3 5,-0.3 0.652 124.7 41.1-122.8 -63.7 2.0 20.3 22.1 329 110 B L H > S+ 0 0 38 -6,-0.7 4,-2.4 -5,-0.3 -2,-0.2 0.906 109.5 43.6 -54.5 -47.0 1.7 24.7 19.7 332 113 B R H X S+ 0 0 57 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.804 111.0 55.3 -74.7 -29.1 5.5 24.2 20.1 333 114 B F H X S+ 0 0 0 -4,-1.3 4,-2.7 -5,-0.3 5,-0.3 0.945 111.5 45.5 -60.7 -49.5 5.9 24.6 16.3 334 115 B A H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.892 110.6 51.4 -63.0 -44.5 4.2 27.9 16.5 335 116 B E H < S+ 0 0 36 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 116.7 42.0 -66.5 -30.0 6.1 29.2 19.6 336 117 B Y H < S+ 0 0 33 -4,-1.6 14,-0.3 17,-0.2 4,-0.2 0.924 127.3 26.3 -78.3 -45.7 9.4 28.3 17.9 337 118 B Y H >X S+ 0 0 18 -4,-2.7 4,-1.6 -5,-0.1 3,-1.2 0.806 104.1 71.0 -95.4 -35.8 8.7 29.6 14.3 338 119 B Y H 3X S+ 0 0 79 -4,-2.2 4,-2.9 -5,-0.3 7,-0.3 0.885 97.3 54.3 -51.9 -44.5 6.0 32.4 14.6 339 120 B P H 34 S+ 0 0 58 0, 0.0 7,-2.9 0, 0.0 6,-0.4 0.796 112.4 46.1 -59.8 -26.6 8.5 34.8 16.2 340 121 B Q H <4 S+ 0 0 45 -3,-1.2 -2,-0.2 5,-0.3 -3,-0.1 0.766 125.7 26.0 -83.9 -31.6 10.9 34.2 13.2 341 122 B I H < S+ 0 0 7 -4,-1.6 2,-0.2 -3,-0.2 -3,-0.2 0.603 119.6 47.6-111.6 -19.2 8.3 34.5 10.4 342 123 B F S >< S- 0 0 55 -4,-2.9 3,-2.5 -5,-0.3 2,-0.3 -0.753 107.7 -9.4-120.4 168.3 5.6 36.8 11.8 343 124 B G T 3 S+ 0 0 82 1,-0.3 -3,-0.0 -2,-0.2 -5,-0.0 -0.236 137.1 11.2 53.1-103.2 5.4 40.1 13.7 344 125 B Q T 3 S- 0 0 183 -2,-0.3 -1,-0.3 -5,-0.0 -4,-0.1 0.720 89.2-145.0 -79.7 -24.6 9.0 40.9 14.7 345 126 B K < - 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0 0 23 -5,-2.0 2,-1.4 1,-0.1 -1,-0.3 -0.606 50.4-120.3 -70.4 130.8 12.8 21.2 9.8 400 181 B D > - 0 0 91 -2,-0.3 3,-1.4 1,-0.2 4,-0.1 -0.586 32.8-179.2 -75.1 93.1 14.7 18.0 9.0 401 182 B L G > + 0 0 3 -2,-1.4 3,-1.9 1,-0.3 7,-0.6 0.649 69.6 80.2 -68.8 -14.9 12.0 15.4 9.8 402 183 B R G 3 S+ 0 0 154 1,-0.3 -1,-0.3 5,-0.1 3,-0.1 0.676 76.1 74.0 -69.9 -14.8 14.4 12.6 8.9 403 184 B R G < S+ 0 0 137 -3,-1.4 2,-0.6 1,-0.2 -1,-0.3 0.713 95.6 54.3 -63.6 -23.7 15.9 13.1 12.3 404 185 B Y S <> S- 0 0 11 -3,-1.9 4,-2.6 1,-0.1 5,-0.2 -0.872 76.3-170.6-115.6 93.7 12.7 11.3 13.5 405 186 B E H > S+ 0 0 159 -2,-0.6 4,-2.1 1,-0.3 5,-0.2 0.820 82.5 46.3 -61.3 -39.5 12.6 8.1 11.6 406 187 B N H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.873 113.1 50.5 -69.8 -38.4 9.1 7.0 12.6 407 188 B V H > S+ 0 0 0 -3,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.952 112.4 45.7 -64.6 -51.6 7.7 10.5 11.9 408 189 B Q H X S+ 0 0 21 -4,-2.6 4,-2.7 -7,-0.6 5,-0.2 0.905 114.7 47.9 -57.1 -47.2 9.2 10.7 8.4 409 190 B R H X S+ 0 0 39 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.944 115.5 44.7 -59.7 -51.1 8.1 7.2 7.5 410 191 B W H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.916 114.1 51.3 -57.4 -44.7 4.6 7.8 8.8 411 192 B Y H X S+ 0 0 8 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.928 112.2 43.1 -62.7 -49.2 4.5 11.2 7.0 412 193 B E H X S+ 0 0 89 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.915 118.5 45.1 -65.4 -41.6 5.6 10.0 3.6 413 194 B R H X S+ 0 0 124 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.915 115.5 44.7 -69.7 -44.6 3.3 6.9 3.7 414 195 B T H >X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 3,-0.5 0.889 110.1 55.2 -69.8 -39.5 0.2 8.7 5.0 415 196 B S H 3< S+ 0 0 27 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.862 106.8 53.5 -57.2 -36.5 0.7 11.6 2.5 416 197 B A H 3< S+ 0 0 85 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.786 120.2 29.3 -69.0 -28.6 0.7 9.0 -0.3 417 198 B I H << S+ 0 0 95 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.728 91.8 97.0-109.1 -26.8 -2.6 7.4 0.7 418 199 B V S >< S- 0 0 9 -4,-2.8 3,-1.6 -5,-0.1 4,-0.2 -0.512 75.5-121.6 -73.7 124.7 -4.8 10.1 2.4 419 200 B P T 3 S+ 0 0 76 0, 0.0 -179,-0.2 0, 0.0 -180,-0.1 -0.399 97.3 23.7 -66.6 139.3 -7.3 11.7 -0.0 420 201 B G T 3> S+ 0 0 28 -181,-0.1 4,-1.2 -2,-0.1 3,-0.2 0.538 78.7 126.6 82.7 7.1 -6.8 15.4 -0.3 421 202 B A H <> + 0 0 4 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 0.705 66.3 68.3 -68.4 -17.2 -3.2 15.3 0.8 422 203 B D H > S+ 0 0 128 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.965 99.7 45.3 -60.6 -56.7 -2.6 17.2 -2.4 423 204 B K H > S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.820 110.9 57.6 -53.0 -34.4 -4.3 20.3 -1.0 424 205 B N H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.977 111.7 38.0 -63.9 -54.6 -2.3 19.6 2.2 425 206 B V H X S+ 0 0 40 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.923 118.0 51.4 -60.3 -46.1 1.1 19.8 0.5 426 207 B E H X S+ 0 0 126 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.896 114.1 41.9 -59.1 -47.5 -0.1 22.7 -1.8 427 208 B G H X S+ 0 0 3 -4,-2.6 4,-1.7 2,-0.2 3,-0.3 0.859 111.1 56.4 -68.0 -37.7 -1.4 24.8 1.1 428 209 B A H X S+ 0 0 1 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.910 102.4 56.5 -61.6 -39.3 1.7 23.9 3.2 429 210 B K H X S+ 0 0 117 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.834 102.7 55.8 -58.7 -33.4 3.8 25.3 0.3 430 211 B V H >< S+ 0 0 43 -4,-0.9 3,-0.9 -3,-0.3 -1,-0.2 0.918 108.3 46.2 -64.1 -43.9 1.9 28.6 0.7 431 212 B F H >< S+ 0 0 8 -4,-1.7 3,-1.9 1,-0.2 4,-0.2 0.831 103.1 66.7 -64.2 -32.9 2.9 28.7 4.4 432 213 B G H >< S+ 0 0 15 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.747 82.5 74.8 -60.0 -26.1 6.4 27.9 3.2 433 214 B R T << S+ 0 0 188 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.655 83.4 67.4 -65.3 -15.7 6.6 31.3 1.5 434 215 B Y T < 0 0 97 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.709 360.0 360.0 -71.9 -19.7 7.0 32.8 5.0 435 216 B F < 0 0 95 -3,-1.9 -94,-0.1 -4,-0.2 -37,-0.0 -0.763 360.0 360.0 -97.8 360.0 10.4 31.1 5.2