==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-AUG-97 1AQV . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.PRADE,R.HUBER,T.H.MANOHARAN,W.E.FAHL,W.REUTER . 420 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 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 . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 46.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 3 3 0 0 2 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 1 1 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 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 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 P 0 0 90 0, 0.0 2,-0.1 0, 0.0 56,-0.1 0.000 360.0 360.0 360.0 170.2 -2.3 10.3 30.0 2 2 A P - 0 0 103 0, 0.0 56,-1.8 0, 0.0 2,-0.3 0.736 360.0-155.8 -79.8 164.9 -1.4 11.4 32.5 3 3 A Y E -aB 28 57A 6 24,-0.7 26,-2.7 54,-0.2 2,-0.4 -0.791 20.7-173.3-113.6 157.7 2.3 10.8 31.9 4 4 A T E -aB 29 56A 30 52,-1.6 52,-2.3 -2,-0.3 2,-0.4 -0.998 7.9-161.0-142.9 136.9 5.4 10.4 33.9 5 5 A V E -aB 30 55A 1 24,-2.6 26,-2.5 -2,-0.4 2,-0.5 -0.955 4.9-163.0-119.8 137.5 9.0 10.2 32.6 6 6 A V E +aB 31 54A 10 48,-2.7 48,-1.8 -2,-0.4 2,-0.3 -0.970 33.7 118.9-125.2 124.2 11.7 8.7 34.7 7 7 A Y E -a 32 0A 2 24,-1.6 26,-2.3 -2,-0.5 -2,-0.0 -0.961 61.0 -72.3-170.2 173.0 15.3 9.3 33.7 8 8 A F - 0 0 20 -2,-0.3 2,-2.4 24,-0.2 26,-0.2 -0.293 60.4 -93.1 -73.1 160.9 18.7 10.8 34.6 9 9 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.370 95.8 90.0 -79.2 62.5 19.1 14.6 34.6 10 10 A V S S- 0 0 9 -2,-2.4 193,-0.2 191,-0.2 194,-0.1 -0.879 79.3-121.5-141.2 173.6 20.3 14.9 31.0 11 11 A R S >> S+ 0 0 38 191,-2.1 3,-2.3 -2,-0.3 4,-0.9 0.945 70.4 119.4 -84.2 -52.3 18.6 15.3 27.6 12 12 A G G >4 S- 0 0 13 191,-2.5 3,-1.1 1,-0.3 4,-0.3 0.089 87.4 -6.0 28.9-126.9 20.0 12.1 26.1 13 13 A R G 34 S+ 0 0 24 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.417 132.8 59.1 -76.6 1.6 17.3 9.6 25.0 14 14 A C G <> S+ 0 0 0 -3,-2.3 4,-2.0 2,-0.1 -1,-0.2 0.547 78.4 89.1-106.4 -4.0 14.4 11.6 26.4 15 15 A A H S+ 0 0 4 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.896 112.4 47.0 -73.4 -35.0 12.7 13.7 21.5 17 17 A L H > S+ 0 0 2 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.845 110.9 53.1 -77.2 -23.8 9.8 12.5 23.5 18 18 A R H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.940 109.1 49.8 -73.5 -37.1 9.8 15.6 25.7 19 19 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.927 111.1 50.3 -66.5 -35.7 9.7 17.8 22.5 20 20 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.918 111.2 46.9 -69.9 -40.0 6.8 15.7 21.2 21 21 A L H <>S+ 0 0 0 -4,-2.2 5,-3.3 2,-0.2 4,-0.2 0.920 115.2 45.9 -71.5 -34.2 4.8 16.1 24.4 22 22 A A H ><5S+ 0 0 15 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.974 113.1 48.6 -74.4 -42.6 5.4 19.8 24.6 23 23 A D H 3<5S+ 0 0 10 -4,-2.7 165,-0.2 1,-0.3 -1,-0.2 0.790 111.3 50.7 -70.6 -23.6 4.6 20.5 21.0 24 24 A Q T 3<5S- 0 0 53 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.452 115.9-116.2 -92.6 1.0 1.4 18.4 21.3 25 25 A G T < 5 + 0 0 41 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.862 63.4 148.1 70.8 35.4 0.4 20.4 24.3 26 26 A Q < - 0 0 56 -5,-3.3 2,-0.3 -6,-0.2 -1,-0.2 -0.738 40.2-134.9-100.1 159.5 0.5 17.5 26.7 27 27 A S + 0 0 100 -2,-0.3 -24,-0.7 2,-0.0 2,-0.3 -0.763 28.5 167.5-107.7 157.1 1.4 17.6 30.4 28 28 A W E -a 3 0A 50 -2,-0.3 2,-0.4 -26,-0.1 -24,-0.2 -0.989 29.8-121.9-162.5 161.3 3.7 15.2 32.1 29 29 A K E -a 4 0A 118 -26,-2.7 -24,-2.6 -2,-0.3 2,-0.4 -0.862 20.1-145.4-109.4 146.2 5.6 14.7 35.3 30 30 A E E -a 5 0A 46 -2,-0.4 2,-0.5 -26,-0.2 -24,-0.2 -0.889 8.2-167.1-110.7 140.2 9.3 14.2 35.5 31 31 A E E -a 6 0A 95 -26,-2.5 -24,-1.6 -2,-0.4 2,-0.3 -0.977 18.1-151.1-124.6 111.1 10.9 12.0 38.1 32 32 A V E -a 7 0A 86 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.2 -0.677 6.4-158.9 -89.1 141.8 14.6 12.6 38.1 33 33 A V - 0 0 10 -26,-2.3 2,-0.2 -2,-0.3 -2,-0.0 -0.956 8.0-150.6-120.3 129.7 17.0 9.9 39.1 34 34 A T > - 0 0 55 -2,-0.5 4,-2.0 -26,-0.2 5,-0.2 -0.541 29.8-112.3 -93.9 165.6 20.5 10.8 40.2 35 35 A V H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.829 119.3 59.2 -67.7 -19.4 23.5 8.6 39.7 36 36 A E H > S+ 0 0 135 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.944 107.8 40.6 -75.0 -43.0 23.4 8.3 43.5 37 37 A T H 4 S+ 0 0 54 1,-0.2 6,-0.5 2,-0.2 3,-0.3 0.803 117.1 51.8 -78.2 -19.7 19.9 6.8 43.7 38 38 A W H >< S+ 0 0 27 -4,-2.0 3,-1.8 1,-0.2 6,-0.3 0.896 102.7 58.4 -84.1 -30.1 20.8 4.7 40.6 39 39 A Q H 3< S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.623 91.0 68.8 -76.7 -6.2 23.9 3.4 42.1 40 40 A E T 3< S- 0 0 122 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.422 97.6-144.4 -86.9 -0.6 22.0 1.9 45.1 41 41 A G <> + 0 0 30 -3,-1.8 4,-1.7 1,-0.1 5,-0.1 0.287 67.3 109.6 58.3 -2.3 20.6 -0.5 42.5 42 42 A S H > S+ 0 0 74 -5,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.841 84.4 41.2 -77.4 -23.3 17.1 -0.9 43.8 43 43 A L H >> S+ 0 0 43 -6,-0.5 3,-1.1 2,-0.2 4,-0.7 0.910 111.7 57.5 -85.8 -32.2 15.4 1.0 41.0 44 44 A K H >4 S+ 0 0 86 -6,-0.3 3,-1.0 1,-0.3 6,-0.2 0.878 103.4 53.9 -63.2 -32.0 17.7 -0.6 38.4 45 45 A A H 3< S+ 0 0 88 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.739 105.3 53.3 -78.3 -18.0 16.5 -4.0 39.5 46 46 A S H << S+ 0 0 66 -3,-1.1 2,-0.5 -4,-0.5 -1,-0.3 0.550 88.8 96.0 -92.2 -6.9 12.9 -3.0 39.0 47 47 A C S X< S- 0 0 8 -3,-1.0 3,-2.1 -4,-0.7 5,-0.1 -0.741 79.0-129.8 -86.6 137.6 13.5 -1.9 35.4 48 48 A L T 3 S+ 0 0 31 -2,-0.5 -1,-0.1 1,-0.3 293,-0.1 0.831 108.8 19.2 -52.1 -43.5 12.8 -4.6 32.7 49 49 A Y T 3 S- 0 0 45 2,-0.3 -1,-0.3 289,-0.1 3,-0.1 0.141 112.6-110.0-113.4 15.8 16.1 -4.2 31.0 50 50 A G S < S+ 0 0 12 -3,-2.1 2,-0.3 -6,-0.2 -2,-0.1 0.750 86.3 98.8 63.1 26.5 17.8 -2.5 34.0 51 51 A Q - 0 0 63 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.910 63.7 -86.1-139.4 166.2 17.9 0.8 32.2 52 52 A L S S+ 0 0 1 -2,-0.3 -45,-0.1 -3,-0.1 2,-0.1 -0.835 75.8 72.2-116.3 160.8 16.1 4.1 31.8 53 53 A P + 0 0 1 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.293 54.3 176.2 -68.9 158.9 14.0 5.8 30.5 54 54 A K E -BC 6 63A 42 -48,-1.8 -48,-2.7 9,-0.2 2,-0.3 -0.925 8.9-169.7-123.5 152.7 10.9 4.3 32.1 55 55 A F E -BC 5 62A 0 7,-2.3 7,-2.7 -2,-0.3 2,-0.4 -0.995 10.3-157.6-149.0 148.7 7.5 5.9 31.3 56 56 A Q E +BC 4 61A 52 -52,-2.3 -52,-1.6 -2,-0.3 2,-0.3 -0.967 11.3 179.2-130.5 148.4 3.9 5.7 32.6 57 57 A D E > S-BC 3 60A 25 3,-2.3 3,-2.1 -2,-0.4 -54,-0.2 -0.856 72.8 -56.0-145.7 94.9 0.6 6.5 31.0 58 58 A G T 3 S- 0 0 41 -56,-1.8 -1,-0.2 -2,-0.3 -54,-0.0 -0.460 122.5 -15.4 65.7-130.8 -2.1 5.8 33.4 59 59 A D T 3 S+ 0 0 175 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.466 117.9 97.1 -85.8 -0.5 -1.7 2.2 34.5 60 60 A L E < -C 57 0A 30 -3,-2.1 -3,-2.3 2,-0.0 2,-0.4 -0.773 53.9-167.9 -93.4 135.6 0.6 1.3 31.6 61 61 A T E -C 56 0A 58 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.943 9.5-178.0-120.0 142.8 4.4 1.3 32.2 62 62 A L E -C 55 0A 0 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.3 -0.902 14.0-164.6-139.7 159.9 6.9 1.1 29.4 63 63 A Y E +C 54 0A 26 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.841 51.9 68.1-132.3 173.7 10.6 1.0 28.8 64 64 A Q >> - 0 0 7 -11,-0.7 4,-1.9 357,-0.4 3,-0.5 0.753 69.9-123.8 76.8 120.5 12.7 1.6 25.6 65 65 A S H 3> S+ 0 0 4 356,-1.8 4,-2.0 1,-0.2 3,-0.2 0.905 109.7 48.5 -61.0 -37.8 12.9 5.1 24.2 66 66 A N H 3> S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.791 108.2 54.8 -77.4 -20.3 11.7 4.1 20.7 67 67 A T H <> S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.875 107.3 50.7 -77.7 -31.8 8.8 2.2 22.2 68 68 A I H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.950 111.6 48.1 -71.6 -38.1 7.7 5.3 24.1 69 69 A L H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.940 112.5 47.8 -68.0 -40.6 7.9 7.4 20.9 70 70 A R H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.901 110.4 53.3 -69.7 -31.2 5.9 4.8 18.9 71 71 A H H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.911 112.6 41.6 -71.0 -38.1 3.3 4.6 21.6 72 72 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 6,-0.3 0.899 111.5 60.8 -75.8 -29.0 2.7 8.4 21.7 73 73 A G H X>S+ 0 0 0 -4,-2.6 5,-2.7 -5,-0.3 4,-0.7 0.941 112.0 35.5 -62.9 -45.2 2.8 8.2 18.0 74 74 A R H <5S+ 0 0 45 -4,-2.7 3,-0.2 3,-0.2 -1,-0.2 0.882 118.5 48.4 -84.6 -22.8 -0.1 5.9 17.8 75 75 A T H <5S+ 0 0 45 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.819 119.8 37.5 -85.7 -20.3 -2.2 7.2 20.6 76 76 A L H <5S- 0 0 48 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.397 114.1-107.2-107.3 0.4 -1.8 10.9 19.5 77 77 A G T <5S+ 0 0 46 -4,-0.7 -3,-0.2 -3,-0.2 3,-0.2 0.879 78.4 127.5 75.3 43.7 -2.0 10.4 15.8 78 78 A L < + 0 0 8 -5,-2.7 72,-2.2 -6,-0.3 73,-0.3 -0.331 45.1 91.5-121.6 41.6 1.6 11.0 14.8 79 79 A Y S S- 0 0 19 1,-0.5 -1,-0.1 -6,-0.3 3,-0.1 -0.032 97.0 -84.7-129.1 27.2 2.2 7.9 12.9 80 80 A G - 0 0 17 68,-0.3 -1,-0.5 -3,-0.2 3,-0.1 -0.067 45.6 -86.4 91.5 170.2 1.3 8.7 9.2 81 81 A K S S- 0 0 126 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.625 102.4 -0.8 -93.2 -12.4 -2.1 8.7 7.6 82 82 A D S > S- 0 0 71 -3,-0.1 4,-2.6 1,-0.0 5,-0.2 -0.921 88.7 -78.7-158.4-176.4 -2.0 5.0 6.6 83 83 A Q H > S+ 0 0 97 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.825 123.6 57.3 -67.2 -27.0 0.0 1.8 6.8 84 84 A Q H > S+ 0 0 93 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.951 111.8 40.2 -70.1 -39.2 2.2 2.9 3.9 85 85 A E H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.900 109.8 60.4 -77.0 -30.4 3.2 6.1 5.7 86 86 A A H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.907 104.5 50.0 -64.9 -30.7 3.6 4.3 9.0 87 87 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.905 110.5 49.0 -74.5 -33.5 6.2 2.1 7.4 88 88 A L H X S+ 0 0 48 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.897 107.9 54.6 -75.2 -30.5 8.1 5.1 6.0 89 89 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.937 109.7 48.2 -68.5 -35.5 8.0 6.7 9.5 90 90 A D H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.909 107.8 54.3 -71.1 -35.9 9.5 3.6 10.9 91 91 A M H X S+ 0 0 9 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.864 110.6 45.8 -68.2 -32.3 12.3 3.5 8.3 92 92 A V H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.958 112.6 50.9 -74.5 -43.0 13.3 7.1 9.1 93 93 A N H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.3 -2,-0.2 0.883 108.9 50.5 -64.7 -34.0 13.2 6.4 12.9 94 94 A D H X S+ 0 0 14 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.859 110.4 50.2 -74.0 -29.0 15.4 3.3 12.6 95 95 A G H X S+ 0 0 4 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.899 110.2 49.6 -72.5 -38.5 17.9 5.3 10.5 96 96 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.956 110.3 52.3 -63.9 -40.2 17.9 8.1 13.1 97 97 A E H X S+ 0 0 25 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.877 104.8 54.8 -66.5 -33.3 18.5 5.4 15.8 98 98 A D H X S+ 0 0 41 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.890 112.6 41.9 -68.4 -36.9 21.5 3.9 14.0 99 99 A L H X S+ 0 0 3 -4,-1.6 4,-2.3 -3,-0.3 -1,-0.2 0.873 109.1 58.8 -80.5 -26.7 23.3 7.2 13.8 100 100 A R H X S+ 0 0 11 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.924 104.2 53.4 -67.0 -30.9 22.3 8.0 17.4 101 101 A C H X S+ 0 0 59 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.850 108.6 47.9 -73.0 -29.7 24.1 4.9 18.4 102 102 A K H X S+ 0 0 96 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.872 111.8 50.3 -77.8 -33.0 27.3 6.0 16.6 103 103 A Y H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 3,-0.3 0.967 110.4 49.9 -68.8 -41.8 27.1 9.4 18.2 104 104 A I H X S+ 0 0 41 -4,-2.7 4,-2.7 1,-0.3 5,-0.2 0.873 109.2 51.8 -67.0 -31.3 26.7 7.8 21.7 105 105 A S H X S+ 0 0 62 -4,-1.6 4,-1.6 -5,-0.2 5,-0.4 0.875 110.3 48.7 -76.6 -28.7 29.6 5.6 21.1 106 106 A L H X S+ 0 0 11 -4,-1.7 4,-1.4 -3,-0.3 5,-0.5 0.959 114.5 45.6 -74.9 -38.8 31.8 8.6 20.1 107 107 A I H < S+ 0 0 1 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.929 121.9 34.1 -71.5 -41.4 30.7 10.5 23.2 108 108 A Y H < S+ 0 0 76 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.640 131.2 19.4 -95.2 -10.6 31.1 7.8 25.7 109 109 A T H < S+ 0 0 104 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.523 130.9 15.0-137.4 -3.1 34.1 5.7 24.5 110 110 A N X + 0 0 85 -4,-1.4 4,-2.6 -5,-0.4 5,-0.2 0.204 67.1 136.4-161.0 23.9 36.3 7.6 22.1 111 111 A Y H > S+ 0 0 40 -5,-0.5 4,-0.9 -4,-0.3 -4,-0.1 0.872 78.7 41.5 -49.4 -43.5 35.6 11.3 22.1 112 112 A E H 4 S+ 0 0 137 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.875 122.1 36.9 -80.4 -28.9 39.2 12.6 22.1 113 113 A A H 4 S+ 0 0 78 -3,-0.2 4,-0.2 1,-0.2 -2,-0.2 0.729 124.5 35.2 -98.3 -15.6 40.7 10.1 19.6 114 114 A G H X S+ 0 0 11 -4,-2.6 4,-1.9 -8,-0.2 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115 B K H X S+ 0 0 56 -4,-0.9 4,-2.2 -5,-0.2 5,-0.2 0.873 85.6 47.0 -68.3 -32.9 33.4 -14.9 23.7 326 116 B D H > S+ 0 0 118 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 114.6 45.2 -81.2 -30.1 33.8 -16.1 27.2 327 117 B D H > S+ 0 0 118 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.874 113.0 53.2 -79.9 -26.1 32.9 -12.8 28.8 328 118 B Y H X S+ 0 0 35 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.923 110.8 44.9 -74.9 -36.1 29.9 -12.6 26.5 329 119 B V H < S+ 0 0 47 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.864 109.1 58.0 -78.4 -22.1 28.7 -16.0 27.4 330 120 B K H < S+ 0 0 151 -4,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.853 110.5 41.6 -74.5 -29.8 29.2 -15.3 31.0 331 121 B A H >X S+ 0 0 57 -4,-1.5 4,-1.2 1,-0.2 3,-0.7 0.574 89.7 95.6 -95.1 -7.0 26.9 -12.2 31.0 332 122 B L H 3X S+ 0 0 2 -4,-0.9 4,-1.5 -3,-0.2 3,-0.5 0.863 74.6 58.3 -53.8 -46.8 24.3 -13.8 28.8 333 123 B P H 3> S+ 0 0 63 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.898 103.9 53.1 -55.5 -36.6 21.9 -15.0 31.5 334 124 B G H <4 S+ 0 0 51 -3,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.882 109.9 49.6 -64.4 -35.5 21.5 -11.5 32.8 335 125 B Q H < S+ 0 0 73 -4,-1.2 -1,-0.2 -3,-0.5 4,-0.2 0.703 113.2 45.8 -76.3 -19.2 20.5 -10.5 29.2 336 126 B L H >X S+ 0 0 1 -4,-1.5 4,-1.2 -3,-0.4 3,-1.1 0.769 90.8 80.5 -98.1 -19.3 18.0 -13.3 28.8 337 127 B K H 3X S+ 0 0 132 -4,-2.0 4,-2.5 1,-0.3 5,-0.2 0.795 82.2 63.8 -56.9 -37.2 16.1 -13.0 32.1 338 128 B P H 3> S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.885 103.7 48.4 -56.4 -37.6 13.9 -10.1 31.0 339 129 B F H <> S+ 0 0 3 -3,-1.1 4,-2.0 -4,-0.2 -2,-0.2 0.887 109.4 52.3 -74.0 -28.4 12.2 -12.2 28.4 340 130 B E H X S+ 0 0 27 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.926 110.2 49.6 -72.1 -35.4 11.7 -15.0 30.9 341 131 B T H X S+ 0 0 44 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.927 107.7 53.2 -70.5 -39.1 10.0 -12.4 33.2 342 132 B L H X S+ 0 0 18 -4,-2.3 4,-0.7 1,-0.2 3,-0.3 0.930 110.0 48.2 -64.2 -38.3 7.8 -11.2 30.4 343 133 B L H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 6,-1.3 0.940 106.6 56.0 -70.8 -35.4 6.6 -14.7 29.7 344 134 B S H 3X S+ 0 0 64 -4,-2.3 4,-0.8 1,-0.3 -1,-0.2 0.834 107.0 51.6 -68.5 -20.9 5.9 -15.4 33.4 345 135 B Q H 3< S+ 0 0 140 -4,-1.5 2,-0.8 -3,-0.3 -1,-0.3 0.604 97.8 71.7 -89.0 -11.4 3.7 -12.3 33.4 346 136 B N T X<>S- 0 0 25 -3,-1.5 3,-1.5 -4,-0.7 5,-0.6 -0.804 129.6 -52.5-110.3 92.8 1.6 -13.4 30.4 347 137 B Q G >45S- 0 0 99 -2,-0.8 3,-1.5 1,-0.3 -2,-0.1 0.866 105.9 -55.3 46.5 42.9 -0.6 -16.4 31.5 348 138 B G G 3<5S- 0 0 41 -4,-0.8 -1,-0.3 1,-0.3 -4,-0.2 0.683 91.4 -72.0 70.4 19.8 2.3 -18.4 32.9 349 139 B G G < 5S+ 0 0 0 -3,-1.5 -1,-0.3 -6,-1.3 -2,-0.2 0.589 103.4 124.2 72.5 14.2 4.3 -18.3 29.7 350 140 B K T < 5S+ 0 0 124 -3,-1.5 -2,-0.1 -4,-0.3 -3,-0.1 0.611 72.4 26.5 -83.4 -11.0 1.9 -20.8 28.1 351 141 B T S S- 0 0 10 3,-0.3 3,-0.7 -8,-0.0 -1,-0.2 -0.988 122.3 -31.4-141.2 133.3 2.5 -10.6 24.4 355 145 B G T 3 S- 0 0 10 -2,-0.4 -3,-1.0 1,-0.2 -4,-0.1 -0.179 92.1 -62.7 58.1-156.7 -1.2 -11.4 24.7 356 146 B D T 3 S+ 0 0 92 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.119 110.8 70.3-115.3 18.4 -2.7 -14.6 23.3 357 147 B Q S < S- 0 0 77 -3,-0.7 -3,-0.3 -69,-0.0 -66,-0.1 -0.955 88.1-100.5-127.5 155.2 -1.9 -14.2 19.6 358 148 B I - 0 0 15 -2,-0.3 -68,-0.3 -6,-0.1 2,-0.3 -0.358 40.5-170.8 -74.0 155.9 1.5 -14.4 17.9 359 149 B S >> - 0 0 1 -70,-0.1 3,-1.3 -4,-0.1 4,-0.9 -0.886 40.2 -96.7-139.6 171.0 3.2 -11.1 16.9 360 150 B F H 3> S+ 0 0 0 -72,-2.2 4,-1.5 -2,-0.3 5,-0.1 0.769 120.3 62.7 -65.2 -21.4 6.2 -10.1 14.9 361 151 B A H 3> S+ 0 0 0 -73,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.820 93.2 62.5 -75.9 -23.8 8.3 -9.9 18.0 362 152 B D H <> S+ 0 0 0 -3,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.951 105.7 46.7 -67.1 -35.4 7.7 -13.6 18.7 363 153 B Y H X S+ 0 0 1 -4,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.893 113.8 46.7 -75.1 -30.4 9.6 -14.4 15.4 364 154 B N H X S+ 0 0 3 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.919 114.2 47.4 -78.0 -35.6 12.4 -12.0 16.2 365 155 B L H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.927 109.8 54.2 -70.9 -36.0 12.8 -13.3 19.7 366 156 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.946 109.0 48.0 -65.8 -38.4 12.7 -16.9 18.5 367 157 B D H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.920 109.6 52.2 -68.6 -37.2 15.5 -16.2 16.1 368 158 B L H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.899 111.4 47.2 -66.3 -33.2 17.6 -14.5 18.8 369 159 B L H X S+ 0 0 2 -4,-2.3 4,-1.7 1,-0.2 3,-0.4 0.953 110.0 53.0 -75.3 -36.8 17.1 -17.5 21.1 370 160 B L H X S+ 0 0 40 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.884 109.0 48.4 -68.1 -34.0 18.0 -20.0 18.4 371 161 B I H X S+ 0 0 6 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.794 109.3 52.8 -81.0 -18.5 21.3 -18.3 17.5 372 162 B H H X S+ 0 0 0 -4,-1.1 4,-3.0 -3,-0.4 -1,-0.2 0.821 102.7 57.7 -83.1 -24.6 22.4 -18.1 21.1 373 163 B E H < S+ 0 0 64 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.798 108.6 48.0 -74.5 -21.7 21.8 -21.8 21.6 374 164 B V H < S+ 0 0 63 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.835 115.3 44.1 -86.1 -27.4 24.3 -22.2 18.7 375 165 B L H < S+ 0 0 2 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.2 0.864 135.8 13.2 -84.1 -31.4 26.8 -19.8 20.3 376 166 B A S >< S- 0 0 12 -4,-3.0 3,-1.8 -5,-0.1 -1,-0.3 -0.701 85.4-145.9-146.3 78.5 26.4 -21.2 23.8 377 167 B P T 3 S+ 0 0 109 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.171 85.1 20.6 -47.8 134.9 24.6 -24.6 23.7 378 168 B G T > S+ 0 0 30 -5,-0.1 3,-1.5 1,-0.1 4,-0.4 0.556 79.1 129.8 78.9 10.2 22.4 -25.1 26.8 379 169 B C G X S+ 0 0 24 -3,-1.8 3,-0.5 1,-0.3 -6,-0.1 0.793 72.5 56.0 -68.9 -18.3 22.2 -21.4 27.6 380 170 B L G > S+ 0 0 2 1,-0.2 3,-1.6 -4,-0.2 7,-0.3 0.492 79.1 90.1 -90.4 -1.2 18.4 -21.8 27.8 381 171 B D G < S+ 0 0 134 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.848 83.5 57.7 -63.5 -28.7 18.6 -24.6 30.5 382 172 B A G < S+ 0 0 73 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.565 101.4 63.2 -78.9 -3.6 18.4 -21.9 33.1 383 173 B F <> - 0 0 16 -3,-1.6 4,-2.7 1,-0.1 5,-0.2 -0.739 57.9-179.4-129.5 89.9 15.1 -20.6 31.7 384 174 B P H > S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.819 83.9 47.0 -55.2 -40.3 12.2 -23.0 31.9 385 175 B L H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.939 114.3 46.5 -75.1 -33.5 9.6 -20.7 30.2 386 176 B L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.906 111.7 52.9 -74.0 -33.3 11.9 -19.6 27.4 387 177 B S H X S+ 0 0 46 -4,-2.7 4,-2.0 -7,-0.3 -1,-0.2 0.957 113.3 42.3 -66.7 -44.1 12.9 -23.2 26.8 388 178 B A H X S+ 0 0 39 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.842 111.9 56.5 -72.7 -26.8 9.3 -24.3 26.5 389 179 B Y H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 106.9 48.0 -71.3 -38.1 8.5 -21.3 24.4 390 180 B V H X S+ 0 0 13 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.938 113.4 48.9 -70.2 -34.6 11.2 -22.1 21.8 391 181 B G H X S+ 0 0 44 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.945 112.1 47.0 -70.1 -45.5 9.9 -25.7 21.7 392 182 B R H < S+ 0 0 81 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.894 115.2 45.7 -65.9 -33.0 6.3 -24.7 21.3 393 183 B L H >< S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.936 107.1 55.9 -80.6 -34.0 7.1 -22.1 18.6 394 184 B S H 3< S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.671 102.9 61.3 -69.2 -14.6 9.5 -24.3 16.5 395 185 B A T 3< + 0 0 49 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.485 66.4 119.7 -92.5 -7.9 6.6 -26.8 16.3 396 186 B R S <> S- 0 0 77 -3,-1.8 4,-3.1 -4,-0.2 5,-0.3 -0.442 73.3-123.4 -56.4 129.7 4.1 -24.7 14.5 397 187 B P H > S+ 0 0 112 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.896 104.2 41.9 -46.3 -55.5 3.6 -26.8 11.4 398 188 B K H > S+ 0 0 121 1,-0.2 4,-1.5 -165,-0.2 -164,-0.1 0.873 119.5 45.9 -66.9 -28.0 4.4 -24.2 8.6 399 189 B L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.897 108.2 55.2 -82.1 -31.9 7.4 -22.9 10.6 400 190 B K H X S+ 0 0 132 -4,-3.1 4,-0.8 1,-0.2 -2,-0.2 0.925 108.4 50.1 -67.5 -36.2 8.7 -26.3 11.5 401 191 B A H >X S+ 0 0 66 -4,-2.0 3,-0.6 -5,-0.3 4,-0.5 0.915 110.7 49.5 -70.1 -33.5 8.8 -27.2 7.8 402 192 B F H >< S+ 0 0 15 -4,-1.5 3,-1.4 1,-0.2 6,-0.4 0.930 105.8 54.9 -74.5 -37.1 10.6 -23.9 6.9 403 193 B L H 3< S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.698 110.1 48.5 -71.6 -12.8 13.3 -24.4 9.6 404 194 B A H << S+ 0 0 77 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.514 90.7 102.6-103.4 -5.9 14.1 -27.8 8.1 405 195 B S S XX S- 0 0 27 -3,-1.4 4,-3.2 -4,-0.5 3,-1.1 -0.368 79.4-121.4 -81.5 149.8 14.3 -26.8 4.5 406 196 B P H 3> S+ 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.819 110.8 69.5 -56.7 -29.0 17.6 -26.3 2.6 407 197 B E H 34 S+ 0 0 101 2,-0.2 4,-0.1 1,-0.1 -4,-0.1 0.862 116.8 23.0 -59.4 -30.5 16.5 -22.7 1.9 408 198 B Y H X4 S+ 0 0 22 -3,-1.1 3,-1.3 -6,-0.4 -1,-0.1 0.893 125.1 49.5-102.4 -45.5 17.1 -22.1 5.7 409 199 B V H 3< S+ 0 0 69 -4,-3.2 -2,-0.2 -7,-0.3 -6,-0.1 0.824 105.7 57.1 -69.7 -26.6 19.5 -24.8 6.7 410 200 B N T 3< S+ 0 0 125 -4,-2.4 -1,-0.3 -5,-0.3 -3,-0.1 0.506 88.2 84.6 -88.7 0.9 22.0 -24.2 3.9 411 201 B L S < S- 0 0 45 -3,-1.3 -191,-0.2 -5,-0.2 -190,-0.0 -0.801 82.4-116.9-101.5 138.5 22.8 -20.5 4.6 412 202 B P - 0 0 60 0, 0.0 -191,-2.2 0, 0.0 -190,-0.3 -0.296 19.6-124.3 -67.7 158.0 25.4 -19.6 7.2 413 203 B I S S+ 0 0 8 -193,-0.2 -191,-2.7 -192,-0.2 2,-0.2 0.971 90.8 15.9 -69.7 -42.5 24.1 -17.6 10.3 414 204 B N S > S- 0 0 8 4,-0.4 3,-0.8 -193,-0.2 -1,-0.1 -0.781 79.1-111.8-126.7 169.5 26.6 -14.7 9.7 415 205 B G T 3 S+ 0 0 53 -2,-0.2 -2,-0.0 1,-0.2 -97,-0.0 0.488 107.0 52.5 -83.3 -6.4 28.8 -13.5 6.9 416 206 B N T 3 S- 0 0 60 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.268 111.0-108.6-110.6 7.4 32.3 -14.2 8.3 417 207 B G S < S+ 0 0 62 -3,-0.8 2,-0.2 1,-0.3 -2,-0.1 0.418 79.2 121.9 83.2 -2.9 31.7 -17.8 9.2 418 208 B K 0 0 50 1,-0.1 -4,-0.4 -101,-0.1 -1,-0.3 -0.663 360.0 360.0 -92.9 157.9 31.6 -17.4 12.9 419 209 B Q 0 0 93 -2,-0.2 -1,-0.1 -6,-0.1 -102,-0.0 0.215 360.0 360.0-173.1 360.0 28.6 -18.4 15.1 420 !* 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 0.0 421 2201 A X 0 0 90 0, 0.0 -356,-1.8 0, 0.0 -357,-0.4 0.000 360.0 360.0 360.0 360.0 17.4 1.6 25.4 422 !* 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 0.0 423 2101 B X 0 0 93 0, 0.0 -148,-2.1 0, 0.0 -149,-0.4 0.000 360.0 360.0 360.0 360.0 20.2 -2.0 9.7