==== 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 3F6D . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE GST1-4; . SOURCE 2 ORGANISM_SCIENTIFIC: ANOPHELES DIRUS; . AUTHOR J.WONGSANTICHON,R.C.ROBINSON,A.J.KETTERMAN . 421 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.8 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 . 2 0.5 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 . 19 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 47.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.8 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 2 2 0 1 0 3 1 5 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 50 0, 0.0 26,-2.8 0, 0.0 56,-0.2 0.000 360.0 360.0 360.0 118.6 -7.5 2.4 38.7 2 2 A D E -aB 27 56A 52 54,-1.7 54,-2.6 24,-0.2 2,-0.5 -0.486 360.0-165.8 -78.3 137.5 -4.1 4.1 39.2 3 3 A F E -aB 28 55A 0 24,-2.7 26,-2.8 52,-0.2 2,-0.6 -0.916 6.1-158.0-130.1 104.5 -4.2 7.9 38.9 4 4 A Y E +aB 29 54A 38 50,-2.8 50,-1.5 -2,-0.5 2,-0.3 -0.724 42.1 126.0 -86.9 119.5 -0.8 9.6 38.6 5 5 A Y E -a 30 0A 26 24,-1.9 26,-2.1 -2,-0.6 3,-0.1 -0.919 54.8-130.3-157.4 171.5 -1.3 13.2 39.6 6 6 A L > - 0 0 33 -2,-0.3 3,-1.2 24,-0.2 6,-0.2 -0.970 26.2-134.5-135.3 140.3 -0.6 16.3 41.6 7 7 A P T 3 S+ 0 0 33 0, 0.0 205,-0.2 0, 0.0 6,-0.1 0.846 104.5 59.0 -62.3 -32.0 -3.5 18.2 43.3 8 8 A G T 3 S+ 0 0 9 203,-0.1 2,-0.5 202,-0.1 204,-0.1 0.722 83.4 101.0 -67.2 -21.4 -2.2 21.6 42.1 9 9 A S <> - 0 0 21 -3,-1.2 4,-2.2 1,-0.1 3,-0.2 -0.561 64.0-151.8 -76.7 115.4 -2.5 20.5 38.4 10 10 A A H > S+ 0 0 1 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.920 96.7 49.6 -45.7 -56.3 -5.6 21.8 36.7 11 11 A P H > S+ 0 0 30 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.869 109.8 52.4 -60.6 -33.6 -5.9 18.9 34.2 12 12 A C H > S+ 0 0 0 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.920 108.3 51.1 -61.8 -43.4 -5.6 16.4 37.2 13 13 A R H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.865 103.8 57.6 -64.9 -35.0 -8.4 18.2 38.9 14 14 A A H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.919 109.1 46.3 -59.3 -43.4 -10.7 18.0 35.9 15 15 A V H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.915 108.9 54.7 -67.5 -40.6 -10.2 14.2 36.0 16 16 A Q H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.920 110.2 46.5 -58.1 -45.0 -10.9 14.1 39.7 17 17 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.894 113.8 48.2 -62.6 -41.3 -14.2 16.0 39.2 18 18 A T H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.918 110.6 50.0 -68.5 -43.0 -15.2 13.7 36.4 19 19 A A H X>S+ 0 0 2 -4,-3.1 5,-2.5 1,-0.2 4,-0.7 0.924 111.1 50.9 -58.4 -43.6 -14.3 10.5 38.3 20 20 A A H ><5S+ 0 0 45 -4,-2.2 3,-0.9 -5,-0.3 -2,-0.2 0.921 107.7 53.3 -58.3 -44.4 -16.4 11.8 41.2 21 21 A A H 3<5S+ 0 0 15 -4,-2.2 -1,-0.2 179,-0.3 -2,-0.2 0.852 114.8 39.8 -61.2 -37.0 -19.4 12.5 38.8 22 22 A V H 3<5S- 0 0 12 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.401 114.6-113.6 -97.5 4.0 -19.3 8.9 37.5 23 23 A G T <<5 + 0 0 67 -3,-0.9 2,-0.5 -4,-0.7 -3,-0.2 0.790 63.6 148.4 72.8 30.0 -18.7 7.3 40.9 24 24 A V < - 0 0 25 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.839 40.5-142.0 -95.5 128.0 -15.2 6.0 40.1 25 25 A E - 0 0 178 -2,-0.5 2,-0.4 -5,-0.0 -5,-0.0 -0.815 16.2-149.0 -87.7 127.6 -12.7 5.8 42.9 26 26 A L - 0 0 23 -2,-0.5 2,-1.0 -10,-0.1 -24,-0.2 -0.836 12.0-133.5 -96.7 132.9 -9.2 6.8 41.8 27 27 A N E -a 2 0A 84 -26,-2.8 -24,-2.7 -2,-0.4 2,-0.3 -0.785 34.1-137.1 -81.5 104.4 -6.1 5.2 43.5 28 28 A L E -a 3 0A 72 -2,-1.0 2,-0.5 -26,-0.2 -24,-0.2 -0.490 25.8-178.4 -77.2 124.7 -4.1 8.4 43.9 29 29 A K E -a 4 0A 79 -26,-2.8 -24,-1.9 -2,-0.3 -1,-0.1 -0.891 22.2-139.7-124.1 97.8 -0.4 8.2 43.1 30 30 A L E -a 5 0A 113 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.2 -0.339 16.6-162.2 -59.2 132.9 1.4 11.5 43.7 31 31 A T - 0 0 5 -26,-2.1 2,-0.9 7,-0.0 7,-0.1 -0.927 7.3-149.1-127.3 101.2 3.9 12.1 40.9 32 32 A N > - 0 0 65 -2,-0.5 5,-2.6 1,-0.2 4,-0.4 -0.626 14.8-177.3 -81.6 105.7 6.5 14.6 41.8 33 33 A L T > 5S+ 0 0 65 -2,-0.9 3,-1.3 1,-0.2 -1,-0.2 0.888 82.9 57.5 -70.8 -40.2 7.5 16.4 38.6 34 34 A M T 3 5S+ 0 0 130 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.882 109.1 47.5 -54.3 -38.8 10.2 18.5 40.2 35 35 A A T 3 5S- 0 0 71 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.2 0.526 116.9-116.6 -81.7 -8.4 11.8 15.2 41.4 36 36 A G T X 5 + 0 0 22 -3,-1.3 3,-1.7 -4,-0.4 4,-0.2 0.742 65.2 146.5 77.5 26.5 11.6 13.7 37.9 37 37 A E G > S- 0 0 99 -3,-0.8 4,-2.6 -4,-0.2 3,-0.7 -0.444 76.7-117.8 -64.9 140.4 11.5 7.2 35.7 41 41 A P H 3> S+ 0 0 75 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.860 114.8 55.3 -53.4 -37.2 11.9 4.3 33.2 42 42 A E H 3> S+ 0 0 116 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.875 111.2 44.3 -63.5 -38.1 8.8 2.6 34.8 43 43 A F H X> S+ 0 0 8 -3,-0.7 4,-3.0 -6,-0.2 3,-0.7 0.922 111.1 52.8 -70.1 -46.0 6.7 5.7 34.2 44 44 A L H 3< S+ 0 0 55 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.813 104.2 57.4 -59.6 -31.6 8.1 6.3 30.6 45 45 A K H 3< S+ 0 0 173 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.823 113.5 39.7 -69.7 -30.3 7.1 2.7 29.7 46 46 A L H << S+ 0 0 55 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.912 137.8 11.1 -77.8 -47.4 3.5 3.5 30.7 47 47 A N >< - 0 0 0 -4,-3.0 3,-2.1 -9,-0.1 -1,-0.3 -0.855 58.2-172.7-139.8 96.2 3.5 7.0 29.2 48 48 A P T 3 S+ 0 0 37 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.667 87.9 67.3 -67.4 -14.7 6.4 8.1 26.9 49 49 A Q T 3 S- 0 0 20 2,-0.1 -5,-0.1 -5,-0.1 305,-0.1 0.474 96.6-145.4 -79.1 -5.1 4.9 11.6 26.9 50 50 A H < + 0 0 33 -3,-2.1 2,-0.3 1,-0.2 -12,-0.1 0.871 48.6 129.6 43.9 59.3 5.8 11.8 30.7 51 51 A C - 0 0 38 -4,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.962 49.0 -92.0-142.6 156.8 2.9 13.9 31.8 52 52 A I S S+ 0 0 20 -2,-0.3 -40,-0.2 12,-0.1 -47,-0.1 -0.911 89.9 50.8-118.7 148.8 0.1 14.0 34.3 53 53 A P + 0 0 3 0, 0.0 12,-0.7 0, 0.0 2,-0.4 0.448 69.5 166.5 -71.3 146.7 -2.7 13.1 34.7 54 54 A T E -BC 4 64A 0 -50,-1.5 -50,-2.8 10,-0.2 2,-0.4 -0.999 17.2-160.5-124.8 132.9 -2.1 9.6 33.6 55 55 A L E -BC 3 63A 1 8,-3.1 8,-2.7 -2,-0.4 2,-0.5 -0.920 6.0-166.7-110.2 135.5 -4.7 6.9 34.3 56 56 A V E -BC 2 62A 14 -54,-2.6 -54,-1.7 -2,-0.4 6,-0.2 -0.969 20.2-151.7-119.8 114.5 -4.0 3.2 34.3 57 57 A D > - 0 0 8 4,-2.8 3,-1.7 -2,-0.5 -55,-0.2 0.008 35.4 -80.5 -80.2-175.4 -7.2 1.2 34.2 58 58 A E T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.710 129.3 44.6 -58.6 -23.4 -8.0 -2.3 35.5 59 59 A D T 3 S- 0 0 115 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.392 122.8 -98.1-102.5 1.1 -6.4 -4.0 32.5 60 60 A G S < S+ 0 0 44 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.538 70.4 154.6 88.0 7.7 -3.2 -1.9 32.4 61 61 A F - 0 0 37 -5,-0.0 -4,-2.8 1,-0.0 2,-0.4 -0.581 32.1-150.3 -66.4 126.3 -4.6 0.3 29.6 62 62 A V E +C 56 0A 27 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.883 19.5 174.9-108.4 132.6 -2.8 3.6 30.0 63 63 A L E +C 55 0A 4 -8,-2.7 -8,-3.1 -2,-0.4 2,-0.3 -0.990 4.5 176.6-137.0 140.3 -4.4 6.9 29.0 64 64 A W E +C 54 0A 18 -2,-0.4 -10,-0.2 -10,-0.2 -12,-0.1 -0.812 42.8 80.3-135.7-175.2 -3.3 10.6 29.3 65 65 A E S >> S- 0 0 32 -12,-0.7 4,-2.2 -2,-0.3 3,-0.8 0.767 72.4-124.8 68.9 110.5 -4.6 14.0 28.3 66 66 A S H 3> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.830 107.0 51.4 -51.0 -41.3 -7.2 14.9 30.9 67 67 A R H 3> S+ 0 0 11 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.822 108.8 50.4 -75.1 -28.7 -10.0 15.6 28.4 68 68 A A H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.894 111.8 49.7 -68.6 -40.4 -9.5 12.2 26.7 69 69 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.908 107.4 55.0 -62.9 -43.3 -9.6 10.6 30.2 70 70 A Q H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.937 110.5 44.7 -54.7 -47.9 -12.8 12.6 31.0 71 71 A I H X S+ 0 0 1 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.936 113.1 50.8 -65.4 -43.4 -14.5 11.1 27.9 72 72 A Y H X>S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.7 0.906 108.2 52.4 -58.9 -44.9 -13.2 7.6 28.6 73 73 A L H X>S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 5,-0.9 0.917 114.3 43.2 -59.7 -43.2 -14.5 7.8 32.2 74 74 A V H X>S+ 0 0 2 -4,-2.1 5,-1.5 -5,-0.2 4,-0.9 0.963 117.3 44.2 -66.4 -50.8 -18.0 8.8 31.0 75 75 A E H <5S+ 0 0 40 -4,-3.0 -2,-0.2 3,-0.2 -3,-0.2 0.863 129.3 22.9 -64.1 -40.4 -18.2 6.3 28.1 76 76 A K H <5S+ 0 0 67 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.875 135.0 27.5 -95.3 -45.2 -16.9 3.3 30.0 77 77 A Y H << S- 0 0 69 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 -0.749 83.2-171.5 -83.9 87.1 -26.4 5.2 34.1 82 82 A A H > S+ 0 0 64 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.835 77.5 50.2 -54.9 -42.0 -27.6 6.4 30.7 83 83 A D H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 111.0 49.4 -66.6 -41.6 -29.2 9.6 31.9 84 84 A L H > S+ 0 0 28 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.925 111.5 47.9 -61.1 -48.1 -26.1 10.6 33.8 85 85 A A H X S+ 0 0 14 -4,-2.4 4,-2.2 -7,-0.4 -2,-0.2 0.891 111.2 52.0 -62.1 -39.6 -23.8 9.9 30.8 86 86 A E H < S+ 0 0 86 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.882 110.3 48.1 -65.1 -39.8 -26.1 11.9 28.6 87 87 A R H < S+ 0 0 105 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.937 118.0 41.0 -63.6 -44.9 -26.0 14.9 31.0 88 88 A L H < S+ 0 0 12 -4,-2.5 75,-2.8 1,-0.2 76,-0.3 0.774 137.2 11.1 -73.3 -28.4 -22.2 14.8 31.2 89 89 A Y S < S- 0 0 5 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 -0.539 81.0-148.8-156.8 71.1 -21.6 14.1 27.5 90 90 A P - 0 0 6 0, 0.0 9,-0.1 0, 0.0 -4,-0.1 -0.160 3.6-148.8 -56.2 141.3 -24.7 14.5 25.3 91 91 A S + 0 0 71 4,-0.1 -5,-0.0 5,-0.1 -6,-0.0 0.625 61.5 110.9 -91.6 -18.0 -24.7 12.2 22.3 92 92 A D S > S- 0 0 49 1,-0.2 4,-3.5 4,-0.1 5,-0.3 -0.425 75.8-127.6 -56.0 126.4 -26.6 14.3 19.7 93 93 A P H > S+ 0 0 39 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.831 107.4 49.2 -53.6 -33.8 -23.9 15.1 17.2 94 94 A R H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.955 116.7 40.9 -67.2 -48.6 -24.6 18.9 17.4 95 95 A R H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 116.0 50.8 -63.0 -44.1 -24.6 18.9 21.3 96 96 A R H X S+ 0 0 22 -4,-3.5 4,-2.7 1,-0.2 -1,-0.2 0.916 107.9 54.4 -58.9 -43.1 -21.6 16.6 21.3 97 97 A A H X S+ 0 0 2 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.863 106.5 49.7 -62.8 -39.8 -19.8 18.9 18.9 98 98 A V H X S+ 0 0 31 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.919 110.6 50.8 -66.1 -41.8 -20.2 21.9 21.1 99 99 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.941 112.4 47.4 -57.0 -46.8 -18.9 20.0 24.1 100 100 A H H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.943 110.1 51.3 -61.9 -46.8 -15.9 18.9 22.0 101 101 A Q H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.918 110.5 49.0 -59.5 -41.7 -15.2 22.5 20.8 102 102 A R H X S+ 0 0 30 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.868 110.1 51.7 -65.6 -36.7 -15.3 23.8 24.4 103 103 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.924 113.3 43.8 -62.8 -44.6 -12.9 21.0 25.4 104 104 A F H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.876 111.6 54.8 -68.9 -38.3 -10.5 22.0 22.6 105 105 A F H X>S+ 0 0 3 -4,-2.8 5,-2.3 -5,-0.3 4,-2.0 0.922 108.4 49.9 -54.9 -46.5 -11.0 25.7 23.5 106 106 A D H <>S+ 0 0 0 -4,-2.4 5,-3.1 3,-0.2 6,-0.7 0.956 116.3 39.7 -61.8 -49.0 -10.0 24.9 27.1 107 107 A V H <5S+ 0 0 12 -4,-2.3 5,-0.3 1,-0.2 -2,-0.2 0.927 127.4 30.4 -67.1 -42.5 -6.8 23.0 26.1 108 108 A A H <5S+ 0 0 18 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.551 135.5 14.7-100.8 -10.8 -5.6 25.2 23.3 109 109 A V T X5S+ 0 0 15 -4,-2.0 4,-2.3 -5,-0.3 5,-0.3 0.615 125.1 37.7-126.6 -62.7 -6.9 28.7 24.2 110 110 A L H > S+ 0 0 30 -6,-0.7 4,-2.4 -5,-0.3 -2,-0.2 0.924 108.7 43.6 -53.3 -48.5 -2.9 27.5 26.9 113 113 A R H X S+ 0 0 49 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.824 110.2 55.8 -72.5 -30.6 -2.9 31.3 27.3 114 114 A F H X S+ 0 0 0 -4,-1.3 4,-3.0 -5,-0.3 5,-0.4 0.949 111.4 45.0 -56.8 -51.5 -2.9 31.0 31.1 115 115 A A H X S+ 0 0 13 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.900 111.3 52.4 -60.9 -43.4 0.3 28.9 30.9 116 116 A E H < S+ 0 0 31 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.864 117.2 39.0 -64.6 -34.5 1.9 31.2 28.3 117 117 A Y H < S+ 0 0 30 -4,-1.9 14,-0.3 17,-0.2 4,-0.2 0.927 128.4 26.7 -79.8 -47.7 1.3 34.2 30.6 118 118 A Y H >X S+ 0 0 18 -4,-3.0 4,-1.7 -5,-0.2 3,-1.2 0.815 104.4 70.6 -91.0 -34.8 2.0 32.8 34.0 119 119 A Y H 3X S+ 0 0 98 -4,-2.0 4,-1.7 -5,-0.4 7,-0.3 0.881 97.9 52.0 -57.0 -42.6 4.4 29.9 33.6 120 120 A P H 34 S+ 0 0 56 0, 0.0 7,-2.4 0, 0.0 6,-0.4 0.779 113.6 47.7 -62.0 -23.2 7.4 32.1 32.7 121 121 A Q H <4 S+ 0 0 50 -3,-1.2 -2,-0.2 5,-0.3 -3,-0.1 0.775 119.9 33.7 -85.2 -31.4 6.7 34.1 35.9 122 122 A I H < S+ 0 0 17 -4,-1.7 2,-0.3 -3,-0.2 -3,-0.2 0.476 122.5 29.5-108.5 -7.7 6.3 31.2 38.3 123 123 A A S >< S+ 0 0 45 -4,-1.7 3,-2.4 -5,-0.2 4,-0.3 -0.911 105.9 7.8-145.7 171.3 8.8 28.7 36.9 124 124 A G T 3 S+ 0 0 79 1,-0.3 -3,-0.0 -2,-0.3 -5,-0.0 -0.376 134.9 6.3 59.3-114.6 12.1 28.4 35.0 125 125 A Q T 3 S- 0 0 177 -2,-0.3 -1,-0.3 1,-0.0 -4,-0.1 0.719 89.2-142.2 -68.7 -22.4 13.5 32.0 34.6 126 126 A K < - 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0 0 1 0, 0.0 9,-0.1 0, 0.0 -4,-0.1 -0.158 4.9-146.1 -55.9 142.5 -13.7 3.6 16.3 310 91 B S + 0 0 71 4,-0.1 -5,-0.0 5,-0.1 -6,-0.0 0.688 63.8 109.0 -88.0 -24.0 -16.4 3.3 18.8 311 92 B D S > S- 0 0 80 1,-0.1 4,-3.4 4,-0.1 5,-0.3 -0.371 74.8-128.8 -54.1 127.4 -14.7 1.1 21.4 312 93 B P H > S+ 0 0 33 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.843 105.6 47.0 -51.7 -40.4 -14.0 3.4 24.4 313 94 B R H > S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.961 115.7 43.7 -65.7 -51.9 -10.3 2.4 24.6 314 95 B R H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.929 115.7 49.0 -58.1 -45.5 -9.7 2.7 20.9 315 96 B R H X S+ 0 0 26 -4,-3.4 4,-3.1 1,-0.2 -1,-0.2 0.884 105.6 58.1 -63.7 -36.4 -11.6 6.0 20.8 316 97 B A H X S+ 0 0 2 -4,-2.0 4,-3.0 -5,-0.3 -1,-0.2 0.882 105.8 49.1 -61.0 -38.8 -9.6 7.3 23.8 317 98 B V H X S+ 0 0 28 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.942 110.6 50.3 -67.5 -45.1 -6.4 6.9 21.9 318 99 B V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.950 113.2 47.4 -52.4 -49.7 -7.8 8.7 18.9 319 100 B H H X S+ 0 0 4 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.939 110.5 50.4 -59.1 -47.6 -8.9 11.5 21.3 320 101 B Q H X S+ 0 0 3 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.913 111.1 49.4 -60.0 -41.4 -5.5 11.7 23.0 321 102 B R H X S+ 0 0 29 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.876 109.5 51.6 -65.0 -37.6 -3.8 11.9 19.7 322 103 B L H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.930 113.5 44.1 -63.6 -44.2 -6.1 14.7 18.5 323 104 B F H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.884 111.5 54.2 -66.6 -39.3 -5.4 16.7 21.7 324 105 B F H X>S+ 0 0 3 -4,-2.8 5,-2.2 -5,-0.2 4,-2.0 0.913 108.3 51.4 -57.0 -45.1 -1.7 15.9 21.3 325 106 B D H <>S+ 0 0 0 -4,-2.5 5,-3.2 3,-0.2 6,-0.6 0.952 116.1 37.6 -59.7 -52.4 -1.9 17.3 17.8 326 107 B V H <5S+ 0 0 12 -4,-2.2 5,-0.4 1,-0.2 -2,-0.2 0.931 127.3 33.1 -66.9 -43.2 -3.5 20.6 18.9 327 108 B A H <5S+ 0 0 18 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.554 134.9 13.4 -96.8 -12.0 -1.7 21.2 22.2 328 109 B V T X5S+ 0 0 15 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.637 125.8 37.8-127.7 -61.9 1.7 19.8 21.5 329 110 B L H > S+ 0 0 30 -6,-0.6 4,-2.0 -5,-0.4 -2,-0.2 0.909 109.8 41.9 -56.9 -47.6 1.3 24.2 19.2 332 113 B R H X S+ 0 0 48 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.775 111.0 56.7 -76.3 -26.3 5.0 23.9 19.3 333 114 B F H X S+ 0 0 3 -4,-1.1 4,-2.8 -5,-0.2 5,-0.4 0.951 109.4 46.5 -60.6 -50.9 5.3 24.2 15.5 334 115 B A H X S+ 0 0 23 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.884 110.2 53.2 -60.0 -42.2 3.5 27.5 15.8 335 116 B E H < S+ 0 0 43 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.813 116.3 38.7 -64.6 -33.0 5.7 28.7 18.7 336 117 B Y H < S+ 0 0 57 -4,-1.4 5,-0.3 -3,-0.3 -2,-0.2 0.868 127.2 31.4 -84.5 -39.6 8.9 28.0 16.7 337 118 B Y H < 0 0 74 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.679 360.0 360.0 -98.4 -22.2 7.8 29.1 13.2 338 119 B Y < 0 0 186 -4,-2.6 -3,-0.2 -5,-0.4 -4,-0.1 0.622 360.0 360.0-112.6 360.0 5.4 31.9 14.1 339 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 340 130 B G 0 0 100 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 119.6 15.1 30.6 15.4 341 131 B D > - 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0 0 85 -3,-1.7 -1,-0.2 1,-0.1 39,-0.1 -0.995 57.6-157.5-128.6 132.5 2.4 1.1 14.4 363 153 B Q S S+ 0 0 93 -2,-0.4 2,-0.3 5,-0.3 -1,-0.1 0.850 84.0 39.0 -68.6 -35.6 1.2 2.0 10.9 364 154 B Y S > S- 0 0 5 4,-0.4 3,-1.6 -6,-0.1 4,-0.1 -0.833 85.5-113.8-125.2 158.9 -1.1 4.7 12.3 365 155 B V T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.777 116.0 29.6 -65.7 -31.1 -0.9 7.4 15.0 366 156 B A T 3 S- 0 0 6 1,-0.6 -1,-0.3 -7,-0.0 -48,-0.2 0.150 116.5-112.0-111.6 19.9 -3.7 6.0 17.3 367 157 B G < + 0 0 10 -3,-1.6 -1,-0.6 1,-0.1 3,-0.1 -0.386 64.4 122.2 75.2-164.2 -3.1 2.4 16.2 368 158 B G S S- 0 0 19 1,-0.1 -4,-0.4 -2,-0.1 -5,-0.3 -0.140 73.2 -92.4 92.6 167.7 -5.7 0.5 14.2 369 159 B D S S+ 0 0 144 -6,-0.1 -1,-0.1 2,-0.1 -63,-0.1 0.486 107.1 38.4 -95.1 -5.5 -5.5 -1.2 10.9 370 160 B D S S- 0 0 74 -64,-0.2 -6,-0.1 -3,-0.1 -1,-0.0 -0.959 98.6 -82.8-141.2 156.3 -6.7 1.8 9.0 371 161 B P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.335 44.6-159.4 -59.3 140.9 -6.2 5.6 9.2 372 162 B T >> - 0 0 0 -5,-0.1 4,-1.7 -4,-0.1 3,-0.8 -0.611 39.5 -91.9-109.7 175.3 -8.4 7.4 11.8 373 163 B I H 3> S+ 0 0 0 -66,-2.8 4,-2.5 1,-0.2 5,-0.2 0.807 127.0 64.0 -60.1 -25.8 -9.3 11.1 12.0 374 164 B A H 3> S+ 0 0 0 -67,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.890 101.5 49.5 -61.8 -40.3 -6.2 11.4 14.2 375 165 B D H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.915 111.1 49.7 -59.8 -43.2 -4.1 10.4 11.2 376 166 B L H X S+ 0 0 3 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.912 112.4 46.5 -65.7 -42.1 -5.9 13.0 9.1 377 167 B S H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 3,-0.2 0.947 115.7 44.9 -63.5 -48.5 -5.4 15.8 11.6 378 168 B I H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.805 107.2 59.8 -71.1 -29.2 -1.7 15.0 12.1 379 169 B L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.894 105.7 49.0 -59.1 -42.8 -1.2 14.6 8.4 380 170 B A H X S+ 0 0 1 -4,-1.6 4,-1.0 -3,-0.2 -2,-0.2 0.927 114.7 45.2 -63.5 -44.5 -2.3 18.3 8.0 381 171 B T H >X S+ 0 0 2 -4,-1.8 4,-1.6 2,-0.2 3,-0.7 0.941 113.1 48.6 -63.8 -50.4 0.1 19.3 10.8 382 172 B I H 3X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.3 -1,-0.2 0.870 104.6 58.8 -64.6 -35.3 3.1 17.3 9.5 383 173 B A H 3X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.3 0.848 105.0 52.6 -58.8 -32.1 2.7 18.6 5.9 384 174 B T H S+ 0 0 0 -4,-1.6 5,-2.0 2,-0.2 4,-0.6 0.942 109.9 51.9 -53.0 -50.9 6.4 21.0 9.2 386 176 B E H ><5S+ 0 0 75 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.907 112.1 43.3 -56.3 -47.5 7.6 19.7 5.8 387 177 B V H 3<5S+ 0 0 46 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.781 105.2 63.1 -73.2 -26.5 6.9 22.9 3.9 388 178 B A H 3<5S- 0 0 40 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.624 122.6-106.1 -69.4 -14.1 8.4 25.0 6.7 389 179 B G T <<5 + 0 0 61 -3,-0.9 2,-0.2 -4,-0.6 -3,-0.2 0.495 65.7 153.1 102.4 7.3 11.7 23.2 6.0 390 180 B Y < - 0 0 22 -5,-2.0 2,-1.4 1,-0.1 -1,-0.3 -0.498 49.7-123.0 -68.6 133.4 11.9 20.8 8.9 391 181 B D > + 0 0 96 -2,-0.2 3,-1.3 1,-0.2 4,-0.1 -0.644 32.9 178.8 -77.4 92.6 13.9 17.7 8.1 392 182 B L G > + 0 0 4 -2,-1.4 3,-2.0 1,-0.3 7,-0.6 0.676 68.6 77.7 -69.8 -21.1 11.3 15.0 8.9 393 183 B R G 3 S+ 0 0 155 1,-0.3 -1,-0.3 5,-0.1 3,-0.2 0.612 77.7 76.2 -67.8 -9.2 13.6 12.1 7.9 394 184 B R G < S+ 0 0 132 -3,-1.3 2,-0.7 1,-0.2 -1,-0.3 0.758 94.4 52.7 -64.7 -28.0 15.3 12.7 11.3 395 185 B Y S <> S- 0 0 9 -3,-2.0 4,-2.7 1,-0.2 -1,-0.2 -0.862 77.9-170.7-112.4 92.3 12.2 11.0 12.8 396 186 B E H > S+ 0 0 159 -2,-0.7 4,-2.7 1,-0.3 5,-0.2 0.834 83.4 47.5 -59.2 -41.9 12.1 7.7 10.8 397 187 B N H > S+ 0 0 26 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.888 112.8 51.3 -65.7 -40.1 8.7 6.5 12.0 398 188 B V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.961 113.2 43.2 -60.3 -53.3 7.3 10.0 11.4 399 189 B Q H X S+ 0 0 16 -4,-2.7 4,-2.8 -7,-0.6 5,-0.3 0.928 114.8 50.4 -58.8 -46.9 8.6 10.2 7.8 400 190 B R H X S+ 0 0 70 -4,-2.7 4,-2.0 -5,-0.2 5,-0.3 0.929 114.7 43.2 -55.6 -50.3 7.6 6.5 7.1 401 191 B W H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.907 114.5 51.9 -61.8 -42.9 4.0 7.2 8.4 402 192 B Y H X S+ 0 0 6 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.933 112.9 41.4 -63.4 -50.2 3.8 10.5 6.6 403 193 B E H X S+ 0 0 91 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.921 120.6 43.2 -65.3 -43.7 4.8 9.3 3.1 404 194 B R H X S+ 0 0 93 -4,-2.0 4,-0.9 -5,-0.3 3,-0.3 0.918 115.5 45.9 -70.9 -45.8 2.7 6.1 3.3 405 195 B T H >X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.3 3,-0.7 0.902 110.0 55.8 -65.8 -36.9 -0.4 7.6 4.9 406 196 B S H 3< S+ 0 0 25 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.794 105.5 54.6 -62.2 -28.4 -0.2 10.5 2.3 407 197 B A H 3< S+ 0 0 84 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.753 118.1 30.9 -76.2 -26.6 -0.2 7.8 -0.4 408 198 B I H << S+ 0 0 80 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.1 0.642 93.3 92.9-112.1 -18.6 -3.5 6.1 0.8 409 199 B V S >< S- 0 0 10 -4,-2.2 3,-2.2 -5,-0.1 4,-0.3 -0.671 81.8-114.7 -82.7 124.4 -5.6 8.8 2.4 410 200 B P T 3 S+ 0 0 78 0, 0.0 -170,-0.2 0, 0.0 -171,-0.1 -0.358 100.5 11.8 -59.8 132.9 -8.1 10.4 -0.1 411 201 B G T 3> S+ 0 0 28 -172,-0.1 4,-1.4 1,-0.1 3,-0.2 0.394 90.0 119.8 80.7 -1.3 -7.3 14.0 -0.7 412 202 B A H <> S+ 0 0 0 -3,-2.2 4,-1.7 1,-0.2 5,-0.1 0.736 71.0 58.7 -71.3 -21.2 -3.9 13.7 1.1 413 203 B D H > S+ 0 0 116 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.914 105.3 49.4 -67.3 -41.0 -2.2 14.8 -2.1 414 204 B K H > S+ 0 0 116 -3,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.795 105.5 59.7 -67.6 -30.4 -4.2 18.0 -2.0 415 205 B N H X S+ 0 0 3 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.968 111.0 38.0 -60.2 -54.7 -3.1 18.4 1.7 416 206 B V H X S+ 0 0 29 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.932 117.1 51.4 -64.7 -45.0 0.6 18.5 0.8 417 207 B E H X S+ 0 0 104 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.924 111.6 47.8 -57.7 -45.7 -0.0 20.5 -2.4 418 208 B G H X>S+ 0 0 5 -4,-2.8 4,-2.1 2,-0.2 5,-0.8 0.896 113.2 47.8 -62.7 -43.1 -2.1 23.1 -0.4 419 209 B A H X5S+ 0 0 0 -4,-2.3 4,-1.4 3,-0.2 -2,-0.2 0.931 117.7 42.3 -60.1 -46.7 0.7 23.2 2.3 420 210 B K H <5S+ 0 0 154 -4,-3.1 -2,-0.2 3,-0.2 -3,-0.2 0.919 119.4 41.1 -69.5 -46.5 3.4 23.7 -0.3 421 211 B V H <5S+ 0 0 93 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.872 134.9 15.9 -71.7 -38.8 1.6 26.2 -2.6 422 212 B F H <5 0 0 125 -4,-2.1 -195,-0.2 -5,-0.3 -3,-0.2 0.684 360.0 360.0-113.8 -26.0 0.0 28.3 0.1 423 213 B G << 0 0 71 -4,-1.4 -3,-0.2 -5,-0.8 -4,-0.1 0.622 360.0 360.0 -70.3 360.0 1.9 27.6 3.4