==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-DEC-97 18GS . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.J.OAKLEY,M.LO BELLO,G.RICCI,G.FEDERICI,M.W.PARKER . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 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 . 15 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 2 2 2 0 2 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 2 0 0 2 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 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 2 A P 0 0 127 0, 0.0 56,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-152.7 31.1 3.0 37.8 2 3 A Y E -aB 27 56A 24 24,-0.5 26,-2.6 54,-0.2 2,-0.4 -0.849 360.0-178.5-107.5 137.8 28.1 2.7 35.5 3 4 A T E -aB 28 55A 22 52,-2.0 52,-2.1 -2,-0.4 2,-0.5 -0.994 11.1-158.2-136.3 126.5 24.4 2.7 36.5 4 5 A V E -aB 29 54A 1 24,-3.0 26,-3.2 -2,-0.4 2,-0.6 -0.914 5.6-164.3-105.0 123.8 21.5 2.3 34.1 5 6 A V E +aB 30 53A 9 48,-2.9 48,-1.9 -2,-0.5 2,-0.3 -0.933 34.4 127.6-110.7 112.3 18.1 3.6 35.4 6 7 A Y E -a 31 0A 21 24,-1.9 26,-2.8 -2,-0.6 -2,-0.0 -0.963 59.3 -87.0-156.6 169.7 15.2 2.3 33.3 7 8 A F - 0 0 52 -2,-0.3 2,-2.5 24,-0.2 26,-0.1 -0.336 62.4 -87.6 -74.0 163.9 11.9 0.6 33.2 8 9 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.369 97.3 91.5 -75.8 66.4 12.0 -3.2 33.0 9 10 A V S S- 0 0 11 -2,-2.5 193,-0.2 191,-0.2 4,-0.1 -0.960 76.6-125.0-150.1 162.5 12.2 -3.4 29.2 10 11 A R >> + 0 0 37 191,-2.9 3,-2.4 -2,-0.3 4,-0.9 0.978 69.4 119.1 -73.4 -62.2 14.9 -3.6 26.6 11 12 A G G >4 S- 0 0 10 191,-2.8 3,-1.0 1,-0.3 4,-0.4 0.069 87.5 -5.6 37.8-129.8 13.7 -0.6 24.6 12 13 A R G 34 S+ 0 0 62 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.357 134.4 58.3 -77.9 6.4 16.2 2.3 24.3 13 14 A C G <> S+ 0 0 0 -3,-2.4 4,-2.0 2,-0.1 -1,-0.2 0.516 80.0 86.7-109.7 -9.6 18.7 0.6 26.6 14 15 A A H S+ 0 0 4 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.930 113.6 46.0 -62.1 -48.4 22.0 -1.2 22.5 16 17 A L H > S+ 0 0 1 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.830 112.3 52.3 -66.5 -30.2 24.0 0.4 25.2 17 18 A R H X S+ 0 0 13 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.921 108.7 49.8 -69.9 -42.5 23.7 -2.7 27.4 18 19 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.906 111.1 51.3 -60.0 -41.1 25.0 -4.8 24.5 19 20 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.948 111.3 45.5 -60.8 -50.9 27.8 -2.4 24.2 20 21 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 4,-0.3 0.924 115.8 46.5 -60.3 -46.7 28.7 -2.6 27.9 21 22 A A H ><5S+ 0 0 14 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.935 113.3 47.7 -61.8 -49.4 28.5 -6.4 27.9 22 23 A D H 3<5S+ 0 0 13 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.787 111.6 51.2 -63.4 -29.2 30.5 -6.8 24.8 23 24 A Q T 3<5S- 0 0 54 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.434 113.8-118.6 -89.3 1.5 33.2 -4.4 26.0 24 25 A G T < 5 + 0 0 45 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.799 61.0 151.8 67.8 30.0 33.5 -6.3 29.3 25 26 A Q < - 0 0 69 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.724 41.3-131.0 -95.3 142.4 32.4 -3.3 31.4 26 27 A S + 0 0 99 -2,-0.3 -24,-0.5 2,-0.0 2,-0.3 -0.673 34.0 163.6 -89.9 147.2 30.6 -3.7 34.7 27 28 A W E -a 2 0A 51 -2,-0.3 2,-0.4 -26,-0.1 -24,-0.2 -0.970 30.6-123.8-155.9 162.0 27.4 -1.7 35.4 28 29 A K E -a 3 0A 107 -26,-2.6 -24,-3.0 -2,-0.3 2,-0.5 -0.891 17.8-139.4-113.4 142.7 24.5 -1.7 37.8 29 30 A E E -a 4 0A 50 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.2 -0.888 10.8-168.3-104.5 129.8 20.8 -1.9 36.8 30 31 A E E -a 5 0A 92 -26,-3.2 -24,-1.9 -2,-0.5 2,-0.4 -0.937 16.2-153.3-116.8 102.8 18.3 0.3 38.6 31 32 A V E -a 6 0A 88 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.2 -0.650 2.5-154.7 -83.1 127.9 14.8 -0.9 37.6 32 33 A V - 0 0 9 -26,-2.8 2,-0.1 -2,-0.4 -2,-0.0 -0.901 10.0-148.1-105.8 119.8 12.0 1.6 37.8 33 34 A T > - 0 0 52 -2,-0.6 4,-2.4 -26,-0.1 5,-0.2 -0.411 26.0-112.3 -81.5 160.7 8.5 0.2 38.3 34 35 A V H > S+ 0 0 80 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.860 118.6 54.0 -60.1 -35.9 5.4 1.8 36.9 35 36 A E H > S+ 0 0 129 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.937 108.3 47.2 -64.8 -47.8 4.3 2.7 40.4 36 37 A T H > S+ 0 0 68 1,-0.2 4,-0.8 2,-0.2 6,-0.4 0.900 115.0 47.5 -60.7 -40.7 7.5 4.4 41.3 37 38 A W H >< S+ 0 0 42 -4,-2.4 3,-1.2 1,-0.2 6,-0.3 0.939 109.3 52.1 -65.8 -46.8 7.3 6.4 38.0 38 39 A Q H 3< S+ 0 0 149 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.714 94.8 72.5 -62.8 -20.2 3.7 7.3 38.6 39 40 A E H 3< S- 0 0 123 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.911 96.0-146.5 -61.2 -40.7 4.7 8.6 42.0 40 41 A G S+ 0 0 73 -5,-0.2 4,-1.3 2,-0.2 5,-0.1 0.917 87.8 45.8 -61.1 -46.1 9.4 12.5 42.1 42 43 A L H >> S+ 0 0 31 -6,-0.4 3,-0.8 2,-0.2 4,-0.8 0.972 114.0 48.7 -60.4 -54.3 11.9 10.6 39.9 43 44 A K H >4 S+ 0 0 89 -6,-0.3 3,-1.4 1,-0.3 6,-0.3 0.903 108.6 53.2 -51.7 -47.7 10.3 11.8 36.7 44 45 A A H 3< S+ 0 0 86 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.803 107.6 52.7 -60.2 -29.4 10.3 15.4 37.9 45 46 A S H << S+ 0 0 71 -4,-1.3 2,-0.4 -3,-0.8 -1,-0.3 0.592 88.5 97.4 -82.9 -12.3 14.0 15.1 38.6 46 47 A C S X< S- 0 0 6 -3,-1.4 3,-1.8 -4,-0.8 5,-0.1 -0.652 80.8-127.2 -80.7 132.4 14.8 13.8 35.1 47 48 A L T 3 S+ 0 0 30 -2,-0.4 -1,-0.1 1,-0.3 292,-0.1 0.861 108.9 19.3 -44.3 -51.4 16.1 16.6 32.7 48 49 A Y T 3 S- 0 0 42 2,-0.3 -1,-0.3 288,-0.1 3,-0.1 0.110 114.7-106.3-109.0 20.2 13.5 15.8 30.0 49 50 A G S < S+ 0 0 13 -3,-1.8 2,-0.3 -6,-0.3 -2,-0.1 0.741 87.3 96.3 63.6 26.1 11.1 14.0 32.4 50 51 A Q - 0 0 117 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.910 63.0 -85.4-142.9 169.1 12.1 10.6 30.8 51 52 A L S S+ 0 0 19 -2,-0.3 2,-0.1 -3,-0.1 -45,-0.1 -0.813 76.3 73.3-115.1 159.9 14.3 7.5 31.1 52 53 A P - 0 0 5 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.341 57.1-179.9 -69.6 153.0 16.9 6.2 30.5 53 54 A K E -BC 5 62A 34 -48,-1.9 -48,-2.9 9,-0.2 2,-0.4 -0.929 9.1-164.4-117.7 141.8 18.9 8.0 33.1 54 55 A F E -BC 4 61A 0 7,-2.7 7,-3.4 -2,-0.4 2,-0.4 -0.985 9.5-160.5-134.4 144.5 22.6 7.0 33.2 55 56 A Q E +BC 3 60A 54 -52,-2.1 -52,-2.0 -2,-0.4 2,-0.4 -0.991 12.6 176.5-129.2 131.7 25.4 7.6 35.7 56 57 A D E > S-BC 2 59A 44 3,-2.5 3,-1.6 -2,-0.4 2,-0.2 -0.848 76.7 -55.3-128.7 88.2 29.1 7.4 35.1 57 58 A G T 3 S- 0 0 45 -56,-1.9 -1,-0.1 -2,-0.4 -54,-0.1 -0.558 121.1 -20.2 70.9-138.4 30.5 8.4 38.5 58 59 A D T 3 S+ 0 0 144 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.335 115.2 105.9 -85.4 9.8 29.1 11.8 39.4 59 60 A L E < -C 56 0A 12 -3,-1.6 -3,-2.5 2,-0.0 2,-0.5 -0.809 55.3-164.5 -91.0 118.5 28.2 12.4 35.7 60 61 A T E -C 55 0A 49 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.920 10.1-175.0-108.3 126.8 24.4 12.0 35.2 61 62 A L E -C 54 0A 0 -7,-3.4 -7,-2.7 -2,-0.5 2,-0.3 -0.842 14.7-169.2-123.0 156.9 23.1 11.7 31.7 62 63 A Y E +C 53 0A 24 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.883 52.5 63.9-134.2 163.2 19.8 11.5 29.9 63 64 A Q S >> S- 0 0 24 -11,-0.8 4,-1.9 -2,-0.3 3,-1.0 0.768 70.6-124.1 83.9 110.6 19.0 10.6 26.2 64 65 A S H 3> S+ 0 0 6 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.842 110.8 49.3 -50.5 -42.1 19.9 7.1 25.0 65 66 A N H 3> S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.776 106.8 56.0 -72.7 -24.6 22.0 8.4 22.1 66 67 A T H <> S+ 0 0 0 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.900 108.7 48.0 -71.1 -39.5 24.0 10.6 24.4 67 68 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.931 112.3 48.9 -65.2 -44.5 24.8 7.6 26.5 68 69 A L H X S+ 0 0 5 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.920 113.4 46.1 -61.0 -45.7 25.8 5.6 23.4 69 70 A R H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.846 111.8 51.9 -67.0 -33.9 28.0 8.5 22.2 70 71 A H H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.920 113.4 43.3 -68.2 -44.3 29.6 9.0 25.7 71 72 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 6,-0.2 0.887 114.4 51.4 -68.0 -39.1 30.5 5.2 25.9 72 73 A G H X>S+ 0 0 0 -4,-2.5 5,-3.1 -5,-0.3 4,-0.7 0.924 112.8 46.2 -63.5 -42.3 31.7 5.3 22.3 73 74 A R H ><5S+ 0 0 46 -4,-2.4 3,-0.6 3,-0.2 -2,-0.2 0.965 118.9 39.0 -63.0 -54.1 33.9 8.3 23.1 74 75 A T H 3<5S+ 0 0 42 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.800 120.3 43.8 -70.7 -30.4 35.3 6.9 26.4 75 76 A L H 3<5S- 0 0 40 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.415 113.9-109.8 -96.2 1.8 35.7 3.3 25.3 76 77 A G T <<5S+ 0 0 46 -4,-0.7 -3,-0.2 -3,-0.6 3,-0.1 0.903 78.5 127.6 73.1 41.3 37.2 4.1 21.8 77 78 A L < + 0 0 7 -5,-3.1 72,-2.2 -6,-0.2 73,-0.3 -0.382 44.6 90.2-122.7 51.1 34.2 3.0 19.8 78 79 A Y S S- 0 0 22 1,-0.5 -1,-0.1 -6,-0.2 70,-0.1 -0.128 98.3 -77.5-139.5 37.4 33.8 6.2 17.7 79 80 A G - 0 0 18 68,-0.3 -1,-0.5 -3,-0.1 65,-0.1 0.077 43.7 -91.2 85.1 161.1 35.9 5.7 14.6 80 81 A K S S- 0 0 140 -3,-0.1 2,-0.2 66,-0.1 -1,-0.1 0.689 101.9 -0.4 -83.8 -20.4 39.7 5.9 14.1 81 82 A D S > S- 0 0 69 -3,-0.1 4,-1.9 1,-0.0 5,-0.1 -0.847 90.9 -77.0-151.7-173.6 39.7 9.6 13.2 82 83 A Q H > S+ 0 0 97 -2,-0.2 4,-1.8 2,-0.2 5,-0.1 0.873 123.8 53.3 -64.2 -39.5 37.4 12.6 12.7 83 84 A Q H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.949 111.1 44.8 -61.7 -50.1 36.1 11.4 9.3 84 85 A E H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.868 108.3 59.5 -61.5 -35.7 35.1 8.0 10.5 85 86 A A H X S+ 0 0 5 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.901 105.4 48.7 -59.6 -40.5 33.5 9.6 13.6 86 87 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.2 -1,-0.2 0.891 110.5 50.1 -66.5 -40.1 31.2 11.6 11.2 87 88 A L H X S+ 0 0 46 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.872 108.9 52.6 -65.8 -36.0 30.3 8.4 9.3 88 89 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.916 110.0 48.6 -64.3 -43.0 29.5 6.7 12.6 89 90 A D H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.911 108.1 54.6 -62.1 -43.1 27.2 9.6 13.4 90 91 A M H X S+ 0 0 11 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.863 110.2 46.8 -59.9 -37.5 25.6 9.4 10.0 91 92 A V H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.940 112.3 48.4 -70.6 -47.3 24.8 5.7 10.7 92 93 A N H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.857 109.3 52.4 -62.8 -36.6 23.4 6.3 14.2 93 94 A D H X S+ 0 0 13 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.874 110.5 48.9 -66.6 -36.8 21.2 9.1 13.1 94 95 A G H X S+ 0 0 4 -4,-1.3 4,-1.8 -5,-0.2 -2,-0.2 0.891 111.6 49.2 -67.7 -38.7 19.8 6.9 10.4 95 96 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.930 111.0 50.1 -65.0 -45.3 19.3 4.1 13.0 96 97 A E H X S+ 0 0 24 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.889 106.6 55.8 -59.7 -41.1 17.5 6.6 15.3 97 98 A D H X S+ 0 0 47 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.916 112.4 41.1 -58.6 -46.3 15.2 7.8 12.4 98 99 A L H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.892 111.0 56.9 -70.5 -39.2 14.0 4.2 11.8 99 100 A R H X S+ 0 0 12 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.887 104.3 54.2 -59.6 -36.8 13.8 3.5 15.5 100 101 A C H X S+ 0 0 52 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.906 109.4 46.6 -63.9 -40.4 11.4 6.4 15.8 101 102 A K H X S+ 0 0 98 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.920 112.9 50.2 -66.3 -42.6 9.2 5.0 13.1 102 103 A Y H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.934 111.6 48.0 -59.4 -48.0 9.3 1.6 14.8 103 104 A I H X S+ 0 0 47 -4,-3.0 4,-2.5 1,-0.2 5,-0.4 0.889 108.8 54.1 -61.6 -40.6 8.4 3.1 18.2 104 105 A S H X>S+ 0 0 60 -4,-2.2 4,-2.4 -5,-0.2 5,-0.6 0.941 111.2 45.5 -60.4 -46.0 5.6 5.1 16.6 105 106 A L H X5S+ 0 0 6 -4,-2.3 4,-1.5 3,-0.2 -2,-0.2 0.958 113.5 49.6 -60.0 -52.8 4.1 1.9 15.2 106 107 A I H <5S+ 0 0 0 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.893 126.1 23.4 -54.1 -49.9 4.5 -0.1 18.4 107 108 A Y H <5S+ 0 0 114 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.656 129.7 40.9 -95.5 -16.8 2.9 2.4 20.7 108 109 A T H <5S- 0 0 103 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.808 131.2 -13.9-104.9 -37.2 0.7 4.4 18.3 109 110 A N X< + 0 0 68 -4,-1.5 4,-2.0 -5,-0.6 5,-0.2 -0.141 63.8 152.9-168.8 64.9 -1.0 2.1 15.8 110 111 A Y H > S+ 0 0 32 -4,-0.3 4,-1.9 2,-0.2 5,-0.2 0.954 77.7 49.5 -59.4 -55.4 0.4 -1.4 15.6 111 112 A E H 4 S+ 0 0 128 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.922 121.3 30.2 -52.8 -56.4 -2.8 -3.0 14.5 112 113 A A H 4 S+ 0 0 84 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.714 125.7 43.0 -81.7 -21.9 -3.7 -0.7 11.6 113 114 A G H X S+ 0 0 10 -4,-2.0 4,-2.3 -8,-0.2 -2,-0.2 0.570 85.6 89.0-103.2 -7.7 -0.2 0.3 10.6 114 115 A K H X S+ 0 0 63 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.926 87.2 50.2 -55.4 -53.4 1.8 -2.9 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1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.715 124.9 43.9 -81.6 -21.6 -5.9 21.2 14.8 322 114 B G H X S+ 0 0 10 -4,-2.5 4,-2.3 -8,-0.2 -3,-0.2 0.582 85.1 87.7-103.2 -8.0 -2.8 20.7 16.9 323 115 B K H X S+ 0 0 59 -4,-1.9 4,-3.1 -5,-0.3 5,-0.3 0.895 86.6 52.8 -57.6 -46.9 -1.4 24.2 17.5 324 116 B D H > S+ 0 0 126 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.939 114.0 42.0 -55.3 -51.6 -3.4 25.0 20.7 325 117 B D H > S+ 0 0 97 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.895 114.5 53.0 -63.9 -39.7 -2.4 21.9 22.5 326 118 B Y H X S+ 0 0 32 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.939 111.2 44.5 -61.5 -48.8 1.2 22.3 21.2 327 119 B V H < S+ 0 0 50 -4,-3.1 3,-0.2 1,-0.2 -1,-0.2 0.855 110.5 55.9 -64.9 -34.8 1.5 25.8 22.5 328 120 B K H < S+ 0 0 143 -4,-2.0 4,-0.3 -5,-0.3 -1,-0.2 0.862 112.5 42.5 -64.6 -35.4 -0.1 24.8 25.8 329 121 B A H X S+ 0 0 52 -4,-1.8 4,-1.0 1,-0.2 3,-0.4 0.602 90.8 91.9 -86.3 -13.5 2.6 22.1 26.2 330 122 B L H >X S+ 0 0 3 -4,-1.1 4,-2.0 -3,-0.2 3,-0.8 0.868 77.4 58.1 -50.6 -49.9 5.5 24.4 25.1 331 123 B P H 3> S+ 0 0 64 0, 0.0 4,-2.8 0, 0.0 3,-0.3 0.919 106.3 49.2 -50.2 -48.1 6.5 25.7 28.5 332 124 B G H 34 S+ 0 0 37 -3,-0.4 -2,-0.2 -4,-0.3 -3,-0.1 0.779 112.6 49.5 -62.4 -26.9 7.1 22.2 29.9 333 125 B Q H << S+ 0 0 71 -4,-1.0 -1,-0.2 -3,-0.8 4,-0.2 0.749 115.5 42.0 -82.3 -27.3 9.2 21.5 26.8 334 126 B L H >X S+ 0 0 0 -4,-2.0 3,-1.5 -3,-0.3 4,-1.2 0.784 94.7 80.3 -88.3 -32.3 11.3 24.7 27.1 335 127 B K H 3X S+ 0 0 116 -4,-2.8 4,-2.5 -5,-0.3 3,-0.3 0.833 84.1 61.9 -44.0 -44.3 11.7 24.5 30.9 336 128 B P H 3> S+ 0 0 15 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.859 103.8 48.4 -56.2 -34.9 14.6 22.0 30.6 337 129 B F H <> S+ 0 0 2 -3,-1.5 4,-2.0 -4,-0.2 -2,-0.2 0.838 109.3 51.8 -76.1 -30.9 16.8 24.3 28.6 338 130 B E H X S+ 0 0 25 -4,-1.2 4,-2.7 -3,-0.3 -1,-0.2 0.925 110.5 50.6 -67.6 -43.0 16.2 27.2 31.1 339 131 B T H X S+ 0 0 53 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.912 107.9 52.0 -59.7 -44.9 17.2 24.8 33.9 340 132 B L H < S+ 0 0 20 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.918 111.2 47.4 -58.5 -44.8 20.4 23.8 32.0 341 133 B L H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.2 6,-1.1 0.940 107.9 56.1 -61.8 -46.1 21.3 27.5 31.6 342 134 B S H 3X S+ 0 0 61 -4,-2.7 4,-0.5 1,-0.3 -1,-0.2 0.759 106.6 51.0 -58.9 -25.3 20.6 28.1 35.3 343 135 B Q T 3< S+ 0 0 146 -4,-1.3 2,-0.5 -3,-0.4 -1,-0.3 0.384 101.3 69.3 -94.4 3.7 23.1 25.4 36.3 344 136 B N T X4>S- 0 0 26 -3,-2.2 3,-1.5 -4,-0.2 5,-0.6 -0.798 128.5 -45.6-127.1 91.6 25.8 26.9 34.1 345 137 B Q G >45S- 0 0 108 -2,-0.5 3,-2.1 1,-0.3 -2,-0.1 0.894 107.4 -60.5 54.8 44.8 27.3 30.2 35.4 346 138 B G G 3<5S- 0 0 43 -4,-0.5 -1,-0.3 1,-0.3 -4,-0.2 0.706 91.3 -70.9 58.5 19.6 23.8 31.6 36.1 347 139 B G G < 5S+ 0 0 3 -3,-1.5 -1,-0.3 -6,-1.1 -2,-0.2 0.696 103.5 128.0 71.4 21.0 23.1 31.2 32.4 348 140 B K T < 5S+ 0 0 157 -3,-2.1 -3,-0.1 -4,-0.3 -2,-0.1 0.554 72.8 23.4 -85.5 -10.4 25.4 34.0 31.5 349 141 B T S S- 0 0 11 3,-0.3 3,-0.6 1,-0.0 -1,-0.2 -0.985 122.6 -30.8-137.3 124.7 27.3 23.9 28.1 353 145 B G T 3 S- 0 0 9 -2,-0.4 -3,-1.0 1,-0.2 -4,-0.1 -0.176 90.4 -63.8 68.4-161.9 30.6 25.2 29.6 354 146 B D T 3 S+ 0 0 104 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.194 111.5 72.1-111.4 15.9 32.0 28.6 28.8 355 147 B Q S < S- 0 0 59 -3,-0.6 -3,-0.3 -6,-0.0 -67,-0.1 -0.954 88.8-101.6-128.6 148.6 32.7 28.1 25.1 356 148 B I - 0 0 14 -2,-0.3 -68,-0.3 -6,-0.1 2,-0.3 -0.342 40.2-169.9 -68.7 150.1 30.1 28.0 22.3 357 149 B S >> - 0 0 1 -70,-0.1 4,-1.0 -4,-0.1 3,-1.0 -0.847 39.9-101.2-134.1 170.2 29.1 24.5 21.0 358 150 B F H 3> S+ 0 0 0 -72,-2.3 4,-2.0 -2,-0.3 5,-0.2 0.816 120.5 62.9 -63.9 -26.8 27.1 23.2 18.0 359 151 B A H 3> S+ 0 0 0 -73,-0.3 4,-2.8 1,-0.2 -1,-0.3 0.792 95.6 60.1 -67.0 -28.0 24.3 22.6 20.4 360 152 B D H <> S+ 0 0 0 -3,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.923 106.5 45.3 -65.1 -44.7 24.1 26.3 21.1 361 153 B Y H X S+ 0 0 2 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.921 114.7 48.2 -65.9 -42.7 23.4 27.0 17.4 362 154 B N H X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.922 114.3 45.7 -64.8 -43.6 20.8 24.2 17.2 363 155 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.913 109.6 55.5 -65.2 -42.4 19.1 25.4 20.4 364 156 B L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.944 108.8 47.1 -55.6 -49.9 19.1 29.0 19.3 365 157 B D H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.918 110.3 52.5 -58.8 -44.5 17.3 28.1 16.0 366 158 B L H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.909 112.5 45.6 -57.7 -43.1 14.7 26.1 18.0 367 159 B L H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.908 112.3 51.5 -67.2 -42.1 14.1 29.0 20.2 368 160 B L H X S+ 0 0 35 -4,-2.8 4,-1.0 1,-0.2 3,-0.2 0.938 111.0 46.0 -62.4 -47.3 13.9 31.5 17.3 369 161 B I H X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.791 111.0 53.7 -69.2 -24.2 11.3 29.4 15.3 370 162 B H H X S+ 0 0 0 -4,-1.3 4,-3.2 -5,-0.3 -1,-0.2 0.814 102.2 56.6 -79.5 -26.7 9.2 28.9 18.4 371 163 B E H < S+ 0 0 65 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.783 109.5 48.2 -71.9 -23.9 9.0 32.6 19.1 372 164 B V H < S+ 0 0 59 -4,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.883 115.1 44.0 -78.9 -41.4 7.6 32.8 15.6 373 165 B L H < S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.875 135.1 14.7 -70.7 -38.4 5.1 30.0 16.3 374 166 B A S >< S- 0 0 11 -4,-3.2 3,-1.9 -5,-0.1 -1,-0.3 -0.638 84.1-145.9-140.4 78.7 4.1 31.3 19.7 375 167 B P T 3 S+ 0 0 110 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.133 85.4 21.6 -46.4 132.5 5.2 34.9 20.2 376 168 B G T > S+ 0 0 31 -5,-0.1 3,-1.5 1,-0.0 4,-0.4 0.465 78.1 130.7 86.9 3.1 6.2 35.5 23.9 377 169 B C T < S+ 0 0 23 -3,-1.9 3,-0.3 1,-0.3 -43,-0.1 0.720 75.8 49.0 -62.0 -18.7 6.9 31.9 24.7 378 170 B L T > S+ 0 0 0 1,-0.2 3,-2.2 2,-0.1 7,-0.4 0.512 82.0 95.0 -97.3 -6.4 10.2 32.9 26.2 379 171 B D T < S+ 0 0 129 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.808 85.3 50.1 -55.2 -34.1 8.9 35.7 28.4 380 172 B A T 3 S+ 0 0 82 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.476 102.8 70.9 -84.0 -1.6 8.6 33.5 31.4 381 173 B F <> + 0 0 22 -3,-2.2 4,-2.5 1,-0.2 5,-0.2 -0.818 57.1 178.9-120.5 92.7 12.1 32.3 30.9 382 174 B P H > S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.874 82.3 47.9 -58.7 -44.1 14.7 35.0 31.7 383 175 B L H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 114.5 45.4 -65.8 -46.2 17.8 33.0 31.0 384 176 B L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.912 114.0 50.3 -63.3 -41.9 16.5 31.7 27.6 385 177 B S H X S+ 0 0 44 -4,-2.5 4,-2.0 -7,-0.4 -2,-0.2 0.948 114.3 42.8 -61.2 -49.6 15.4 35.2 26.7 386 178 B A H X S+ 0 0 52 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.874 112.5 55.4 -63.8 -38.3 18.7 36.8 27.6 387 179 B Y H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.922 106.7 49.3 -60.8 -46.9 20.6 33.9 25.9 388 180 B V H X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.936 114.3 45.8 -59.8 -46.8 18.7 34.4 22.6 389 181 B G H X S+ 0 0 44 -4,-2.0 4,-0.9 -5,-0.2 -2,-0.2 0.916 114.0 48.8 -62.8 -43.7 19.5 38.1 22.7 390 182 B R H < S+ 0 0 84 -4,-2.9 4,-0.4 2,-0.2 3,-0.4 0.929 116.2 40.0 -63.6 -48.8 23.1 37.6 23.6 391 183 B L H >< S+ 0 0 4 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.907 112.7 55.6 -69.8 -38.9 23.9 35.0 20.9 392 184 B S H 3< S+ 0 0 26 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.712 103.9 58.3 -64.5 -19.5 21.8 36.8 18.3 393 185 B A T 3< S+ 0 0 56 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.569 71.5 119.0 -87.8 -11.9 24.0 39.8 19.0 394 186 B R S <> S- 0 0 72 -3,-1.5 4,-3.5 -4,-0.4 5,-0.3 -0.412 74.4-121.0 -57.2 125.4 27.3 38.1 18.1 395 187 B P H > S+ 0 0 113 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.817 106.2 39.3 -34.8 -63.5 28.7 40.2 15.2 396 188 B K H > S+ 0 0 120 -165,-0.2 4,-1.8 1,-0.2 5,-0.1 0.911 120.6 46.3 -62.1 -41.3 29.0 37.6 12.5 397 189 B L H > S+ 0 0 1 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.905 110.4 52.6 -67.0 -43.3 25.7 35.9 13.5 398 190 B K H X S+ 0 0 135 -4,-3.5 4,-1.3 1,-0.2 -1,-0.2 0.913 110.3 48.7 -58.4 -44.3 23.8 39.2 13.8 399 191 B A H X S+ 0 0 65 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.883 112.8 48.0 -64.2 -39.4 24.9 40.1 10.3 400 192 B F H >< S+ 0 0 15 -4,-1.8 3,-0.9 1,-0.2 7,-0.3 0.931 108.9 52.1 -68.1 -45.7 23.9 36.7 8.9 401 193 B L H 3< S+ 0 0 25 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.776 112.2 46.9 -62.5 -26.5 20.5 36.7 10.6 402 194 B A H 3< S+ 0 0 76 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.581 93.1 104.3 -91.0 -10.5 19.7 40.1 9.1 403 195 B S S XX S- 0 0 22 -3,-0.9 4,-2.8 -4,-0.7 3,-1.3 -0.321 80.0-119.6 -72.4 152.6 20.9 39.0 5.6 404 196 B P H 3> S+ 0 0 85 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.834 108.1 66.9 -60.2 -36.8 18.4 38.2 2.8 405 197 B E H 34 S+ 0 0 108 1,-0.2 -4,-0.1 2,-0.2 -5,-0.1 0.695 116.9 27.9 -61.5 -16.7 19.6 34.6 2.4 406 198 B Y H X4 S+ 0 0 25 -3,-1.3 3,-1.6 -6,-0.3 -1,-0.2 0.779 123.8 46.5-105.6 -55.5 18.2 34.0 5.8 407 199 B V H 3< S+ 0 0 71 -4,-2.8 -2,-0.2 -7,-0.3 -4,-0.1 0.868 113.7 49.0 -56.9 -39.8 15.4 36.5 6.1 408 200 B N T 3< S+ 0 0 124 -4,-2.8 -1,-0.3 -5,-0.2 -3,-0.1 0.292 93.4 90.1 -88.3 11.4 14.0 35.8 2.6 409 201 B L S < S- 0 0 40 -3,-1.6 -191,-0.2 -5,-0.1 2,-0.0 -0.883 81.7-117.9-106.2 135.0 13.9 32.0 3.1 410 202 B P - 0 0 63 0, 0.0 -191,-2.6 0, 0.0 -190,-0.2 -0.394 16.9-129.9 -68.5 154.3 10.7 30.4 4.5 411 203 B I S S+ 0 0 6 -193,-0.2 -191,-2.7 -192,-0.2 2,-0.2 0.934 89.1 22.2 -68.3 -45.7 11.3 28.6 7.8 412 204 B N S > S- 0 0 8 4,-0.4 3,-0.7 -193,-0.1 -193,-0.1 -0.720 79.3-115.9-119.8 168.5 9.5 25.4 6.5 413 205 B G T 3 S+ 0 0 53 -2,-0.2 -1,-0.0 1,-0.2 -2,-0.0 0.595 109.2 52.9 -81.0 -10.6 8.7 23.9 3.2 414 206 B N T 3 S- 0 0 61 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.301 109.4-113.0-107.3 8.5 5.0 24.1 3.5 415 207 B G S < S+ 0 0 63 -3,-0.7 2,-0.2 1,-0.3 -2,-0.1 0.416 76.8 122.1 79.3 -4.3 4.7 27.8 4.3 416 208 B K 0 0 63 1,-0.1 -4,-0.4 -101,-0.1 -1,-0.3 -0.624 360.0 360.0 -91.3 154.2 3.4 27.3 7.9 417 209 B Q 0 0 102 -2,-0.2 -1,-0.1 -3,-0.1 -102,-0.1 0.299 360.0 360.0-165.8 360.0 5.3 28.7 10.8