==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-13 4KDU . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA GRAMINIS; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WA . 414 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 69.6 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 . 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 . 2 0.5 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 . 20 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.9 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 3 0 2 1 0 0 2 2 2 3 0 0 2 0 0 0 0 0 0 0 0 2 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 . 1 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 1 A M 0 0 134 0, 0.0 58,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 128.5 36.3 27.1 23.6 2 2 A L E -a 27 0A 10 24,-0.7 26,-2.4 56,-0.1 2,-0.5 -0.261 360.0-146.0 -51.2 133.2 33.6 25.0 21.9 3 3 A Q E -aB 28 57A 39 54,-2.4 54,-2.0 24,-0.2 2,-0.5 -0.939 10.4-165.4-108.8 124.8 34.6 24.0 18.3 4 4 A I E -aB 29 56A 0 24,-2.9 26,-2.7 -2,-0.5 2,-0.7 -0.947 6.1-158.6-108.1 120.5 31.9 23.7 15.7 5 5 A L E +aB 30 55A 4 50,-3.2 50,-1.3 -2,-0.5 26,-0.2 -0.894 48.2 83.7-101.0 108.6 33.1 21.9 12.5 6 6 A G S S- 0 0 0 24,-3.4 27,-0.2 -2,-0.7 -2,-0.1 -0.585 77.2 -89.2 162.7 142.0 30.9 22.7 9.6 7 7 A K > - 0 0 33 25,-2.6 3,-1.2 -2,-0.2 6,-0.2 -0.280 40.3-124.8 -59.0 146.5 30.1 25.2 6.8 8 8 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.566 104.2 62.5 -80.2 -7.0 27.6 27.9 7.9 9 9 A T T 3 S+ 0 0 41 4,-0.1 2,-0.2 5,-0.0 -2,-0.1 0.546 75.8 107.8 -89.3 -14.5 25.1 27.2 5.1 10 10 A S <> - 0 0 13 -3,-1.2 4,-2.7 1,-0.1 5,-0.2 -0.490 67.4-141.4 -70.0 131.3 24.4 23.6 6.2 11 11 A I H > S+ 0 0 6 -2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.910 103.0 49.3 -60.1 -41.8 20.9 23.3 7.8 12 12 A N H > S+ 0 0 43 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.853 110.6 49.1 -69.8 -35.9 22.2 20.9 10.4 13 13 A V H > S+ 0 0 0 -6,-0.2 4,-2.6 1,-0.2 3,-0.4 0.878 106.9 57.4 -63.2 -41.9 25.1 23.1 11.3 14 14 A R H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.842 98.6 59.3 -62.1 -28.8 22.7 26.0 11.6 15 15 A K H X S+ 0 0 2 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.909 110.6 43.3 -58.3 -41.4 20.8 24.0 14.2 16 16 A V H X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.4 -2,-0.2 0.921 113.7 48.5 -73.6 -44.6 23.9 24.0 16.2 17 17 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.933 112.7 49.0 -61.9 -46.0 24.9 27.6 15.7 18 18 A W H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.948 110.9 50.2 -57.8 -47.1 21.4 28.8 16.6 19 19 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.922 109.5 51.6 -60.7 -42.8 21.4 26.7 19.8 20 20 A C H X>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-1.8 0.935 111.6 46.3 -59.1 -45.7 24.8 28.1 20.8 21 21 A A H <5S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 112.9 49.7 -64.4 -42.2 23.5 31.7 20.3 22 22 A E H <5S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.911 114.0 44.9 -64.1 -41.6 20.3 31.0 22.2 23 23 A L H <5S- 0 0 22 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.766 114.6-113.0 -75.2 -27.4 22.1 29.4 25.1 24 24 A G T <5 + 0 0 65 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.856 58.6 158.0 95.3 42.8 24.8 32.0 25.4 25 25 A L < - 0 0 33 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.790 38.6-135.9-102.2 144.6 27.9 30.0 24.3 26 26 A A + 0 0 71 -2,-0.3 -24,-0.7 2,-0.0 2,-0.3 -0.713 37.7 164.4 -87.2 142.5 31.2 31.2 22.9 27 27 A F E -a 2 0A 51 -2,-0.3 2,-0.4 -26,-0.1 -24,-0.2 -0.990 35.6-138.1-155.1 160.0 32.4 29.0 20.0 28 28 A E E -a 3 0A 97 -26,-2.4 -24,-2.9 -2,-0.3 2,-0.4 -0.976 23.8-154.6-115.9 136.0 34.8 28.9 17.0 29 29 A R E -a 4 0A 81 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.946 4.7-161.7-116.6 134.2 33.5 27.5 13.8 30 30 A E E -a 5 0A 77 -26,-2.7 -24,-3.4 -2,-0.4 2,-0.5 -0.941 26.9-115.1-110.4 139.6 35.6 25.8 11.1 31 31 A D + 0 0 66 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.1 -0.599 47.7 154.9 -75.8 119.9 34.4 25.4 7.5 32 32 A W + 0 0 16 -2,-0.5 -25,-2.6 2,-0.1 2,-0.2 -0.989 28.1 63.3-140.7 145.6 33.9 21.8 6.6 33 33 A G B >> S-D 37 0B 6 4,-2.8 3,-2.5 -2,-0.3 4,-1.6 -0.613 88.2 -28.0 127.5 168.4 31.7 20.3 4.0 34 34 A A T 34 S+ 0 0 78 1,-0.3 -2,-0.1 -2,-0.2 -27,-0.0 -0.332 129.5 17.4 -57.5 127.1 31.0 20.3 0.3 35 35 A G T 34 S+ 0 0 82 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.0 0.372 130.5 48.9 93.1 -1.4 32.1 23.5 -1.3 36 36 A F T <4 S- 0 0 96 -3,-2.5 -2,-0.2 -29,-0.0 -1,-0.1 0.618 121.8 -16.5-130.3 -68.2 34.3 24.4 1.7 37 37 A R B < S-D 33 0B 121 -4,-1.6 -4,-2.8 0, 0.0 -30,-0.1 -0.873 72.9-114.6-150.1 114.7 36.7 21.9 3.0 38 38 A P - 0 0 99 0, 0.0 6,-0.1 0, 0.0 -4,-0.1 -0.202 18.4-159.8 -62.2 139.1 36.2 18.2 2.1 39 39 A T S S+ 0 0 23 12,-0.2 2,-2.2 1,-0.2 6,-0.2 0.596 70.1 91.2 -93.0 -14.4 35.3 15.9 5.0 40 40 A N + 0 0 125 11,-0.1 -1,-0.2 4,-0.1 3,-0.0 -0.401 64.8 107.4 -83.8 63.6 36.4 12.6 3.4 41 41 A V S >> S- 0 0 47 -2,-2.2 4,-2.6 1,-0.0 3,-0.7 -0.945 81.9-109.8-134.8 153.4 39.9 12.8 4.8 42 42 A P H 3> S+ 0 0 99 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.840 113.7 56.7 -56.2 -37.0 41.4 10.7 7.7 43 43 A E H 34 S+ 0 0 138 1,-0.2 4,-0.3 2,-0.2 -3,-0.1 0.847 115.3 37.9 -66.7 -34.8 41.6 13.6 10.2 44 44 A F H X> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 3,-1.2 0.862 112.2 55.9 -81.6 -41.0 37.8 14.3 9.8 45 45 A L H 3< S+ 0 0 59 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.840 100.1 62.0 -61.8 -30.1 36.7 10.6 9.6 46 46 A A T 3< S+ 0 0 88 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.769 111.0 39.2 -63.9 -27.9 38.5 10.0 12.9 47 47 A L T <4 S+ 0 0 29 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.775 136.9 11.8 -89.0 -35.4 36.0 12.5 14.4 48 48 A N >< - 0 0 4 -4,-2.3 3,-2.3 1,-0.1 -1,-0.3 -0.833 57.8-160.9-148.4 106.0 33.0 11.3 12.4 49 49 A P T 3 S+ 0 0 60 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.607 93.4 65.5 -65.1 -8.5 33.0 8.1 10.4 50 50 A N T 3 S- 0 0 25 2,-0.1 3,-0.1 -5,-0.1 -5,-0.1 0.567 98.2-138.0 -81.9 -15.7 30.0 9.5 8.5 51 51 A A < + 0 0 18 -3,-2.3 2,-0.3 1,-0.2 -12,-0.2 0.870 60.3 126.9 57.1 36.4 32.2 12.3 7.0 52 52 A M - 0 0 80 -8,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.866 52.7 -87.4-122.1 163.2 29.3 14.7 7.7 53 53 A V S S+ 0 0 21 -2,-0.3 -41,-0.2 -3,-0.1 -40,-0.2 -0.822 83.9 54.3-111.6 152.0 28.8 18.1 9.4 54 54 A P + 0 0 4 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.488 58.3 158.8 -81.9 158.3 28.2 19.3 12.1 55 55 A V E -BC 5 64A 0 -50,-1.3 -50,-3.2 9,-0.2 2,-0.4 -0.974 20.5-158.2-130.4 141.9 30.7 17.8 14.5 56 56 A I E -BC 4 63A 0 7,-2.9 7,-2.3 -2,-0.3 2,-0.5 -0.918 10.7-159.5-118.2 154.0 31.6 19.5 17.8 57 57 A R E -BC 3 62A 111 -54,-2.0 -54,-2.4 -2,-0.4 2,-0.6 -0.986 9.4-178.6-124.5 116.8 34.6 19.2 20.0 58 58 A D E > - C 0 61A 24 3,-3.2 3,-1.9 -2,-0.5 2,-0.3 -0.874 69.4 -56.9-115.8 91.7 33.9 20.3 23.6 59 59 A G T 3 S- 0 0 67 -2,-0.6 -56,-0.1 1,-0.3 0, 0.0 -0.589 122.4 -19.1 67.4-127.8 37.2 19.9 25.3 60 60 A D T 3 S+ 0 0 128 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.364 118.0 104.0 -91.1 9.2 38.1 16.2 24.8 61 61 A F E < -C 58 0A 9 -3,-1.9 -3,-3.2 2,-0.0 2,-0.4 -0.795 52.1-167.6 -98.8 120.0 34.5 15.3 24.0 62 62 A V E +C 57 0A 45 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.891 10.3 174.8-109.9 131.2 33.6 14.8 20.3 63 63 A L E -C 56 0A 1 -7,-2.3 -7,-2.9 -2,-0.4 2,-0.3 -0.998 9.0-177.3-139.7 138.8 30.0 14.5 19.1 64 64 A W E +C 55 0A 11 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.787 45.5 75.3-126.4 173.8 28.2 14.2 15.8 65 65 A E > - 0 0 23 -11,-0.8 4,-2.2 -2,-0.3 3,-0.3 0.734 68.7-127.9 83.6 104.4 24.5 14.2 14.7 66 66 A S H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 104.2 47.2 -54.9 -46.4 23.0 17.6 14.9 67 67 A N H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.878 113.5 51.0 -67.4 -32.3 19.9 16.8 16.9 68 68 A S H > S+ 0 0 0 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.883 109.8 51.6 -65.5 -37.4 22.0 15.0 19.4 69 69 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.894 108.3 48.5 -66.3 -46.0 24.4 17.9 19.6 70 70 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.904 111.2 51.3 -69.5 -33.4 21.7 20.5 20.3 71 71 A R H X S+ 0 0 7 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.897 110.7 49.5 -61.3 -42.9 20.3 18.2 23.0 72 72 A Y H X S+ 0 0 11 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.939 110.6 48.7 -61.9 -47.8 23.8 18.0 24.5 73 73 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 6,-0.2 0.901 112.0 48.1 -63.9 -41.8 24.4 21.7 24.5 74 74 A A H <>S+ 0 0 1 -4,-2.2 5,-1.8 1,-0.2 -1,-0.2 0.846 115.8 45.7 -64.7 -37.8 21.0 22.5 26.1 75 75 A G H <5S+ 0 0 32 -4,-2.0 3,-0.3 -5,-0.2 -2,-0.2 0.839 119.6 39.0 -69.2 -38.6 21.7 19.8 28.7 76 76 A R H <5S+ 0 0 127 -4,-2.6 2,-0.2 1,-0.2 -2,-0.2 0.798 114.5 49.7 -83.2 -32.4 25.3 20.9 29.4 77 77 A Y T <5S- 0 0 60 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.314 119.6 -84.1-117.5 51.1 25.0 24.7 29.3 78 78 A G T 5S+ 0 0 41 -3,-0.3 3,-0.4 -2,-0.2 -3,-0.1 0.841 78.4 143.4 60.1 41.7 22.1 25.7 31.5 79 79 A G >>< + 0 0 0 -5,-1.8 4,-2.7 -6,-0.2 3,-1.3 0.024 22.8 117.9-102.2 23.8 19.5 25.2 28.8 80 80 A E T 34 S+ 0 0 109 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.795 76.0 58.9 -62.1 -25.7 16.7 23.9 31.1 81 81 A W T 34 S+ 0 0 127 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.802 114.7 35.7 -68.6 -27.7 14.7 26.9 30.0 82 82 A L T <4 S+ 0 0 0 -3,-1.3 78,-2.5 1,-0.3 79,-0.3 0.754 131.6 26.8 -97.1 -33.5 15.0 25.7 26.4 83 83 A Y S < S- 0 0 5 -4,-2.7 -1,-0.3 76,-0.2 -2,-0.1 -0.813 89.9-143.9-136.4 88.0 14.8 22.0 26.8 84 84 A P - 0 0 27 0, 0.0 -3,-0.1 0, 0.0 9,-0.1 -0.203 6.6-139.9 -60.4 143.4 12.9 21.3 30.0 85 85 A A S S+ 0 0 74 -5,-0.1 -4,-0.0 4,-0.1 -5,-0.0 0.751 70.6 106.3 -77.7 -25.6 13.8 18.4 32.2 86 86 A D S > S- 0 0 92 1,-0.1 4,-2.8 2,-0.1 5,-0.2 -0.335 74.6-131.1 -56.7 131.9 10.3 17.3 33.0 87 87 A A H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.871 101.9 44.7 -55.2 -44.3 9.7 14.1 31.1 88 88 A R H > S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 115.7 47.0 -72.9 -38.0 6.3 15.0 29.5 89 89 A E H > S+ 0 0 101 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.926 113.5 49.1 -69.6 -38.5 7.4 18.5 28.6 90 90 A R H X S+ 0 0 37 -4,-2.8 4,-3.0 1,-0.2 3,-0.3 0.892 107.4 56.0 -68.8 -37.4 10.6 17.1 27.1 91 91 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.3 -1,-0.2 0.856 101.1 56.6 -61.6 -39.8 8.6 14.6 25.2 92 92 A R H X S+ 0 0 91 -4,-1.8 4,-0.7 2,-0.2 -1,-0.3 0.857 113.0 42.8 -58.9 -36.0 6.6 17.3 23.6 93 93 A C H X S+ 0 0 5 -4,-1.2 4,-2.3 -3,-0.3 3,-0.5 0.931 112.2 51.8 -72.0 -51.0 9.9 18.7 22.3 94 94 A D H X S+ 0 0 5 -4,-3.0 4,-3.4 1,-0.2 5,-0.4 0.868 99.3 63.7 -56.8 -39.9 11.4 15.4 21.3 95 95 A Q H X S+ 0 0 19 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.911 111.9 36.9 -54.0 -45.8 8.4 14.3 19.2 96 96 A W H X S+ 0 0 4 -4,-0.7 4,-2.4 -3,-0.5 -1,-0.2 0.894 116.4 52.0 -76.1 -40.1 9.0 17.3 16.8 97 97 A I H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.944 115.9 41.3 -55.8 -50.8 12.8 17.1 17.0 98 98 A D H X S+ 0 0 6 -4,-3.4 4,-2.0 1,-0.2 5,-0.2 0.916 114.8 50.2 -69.1 -39.9 12.8 13.4 16.1 99 99 A W H X>S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.4 5,-2.1 0.870 105.6 58.3 -66.1 -37.6 10.1 13.7 13.4 100 100 A Q H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 -1,-0.2 0.921 113.8 37.3 -57.2 -42.5 12.0 16.6 11.8 101 101 A A H <5S+ 0 0 14 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.812 124.4 38.2 -81.9 -30.9 15.0 14.4 11.3 102 102 A S H <5S+ 0 0 10 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.691 134.1 8.5 -98.0 -27.7 13.3 11.1 10.4 103 103 A E T X5S+ 0 0 41 -4,-2.5 4,-1.8 -5,-0.2 -3,-0.2 0.694 126.0 46.5-119.8 -48.5 10.3 12.2 8.3 104 104 A L H >>4 S+ 0 0 80 1,-0.2 3,-1.1 -6,-0.2 4,-0.3 0.887 102.7 59.7 -60.5 -38.7 13.7 12.8 4.3 107 107 A S H 3< S+ 0 0 5 -4,-1.8 28,-0.4 1,-0.2 4,-0.3 0.816 104.7 47.0 -64.0 -30.9 10.6 14.1 2.4 108 108 A W H S+ 0 0 38 -4,-0.3 4,-2.4 -3,-0.2 5,-0.2 0.945 119.0 48.2 -68.8 -45.0 15.0 14.9 -4.1 111 111 A A H > S+ 0 0 0 -4,-0.3 4,-2.9 16,-0.2 5,-0.4 0.922 114.5 46.6 -61.0 -43.3 13.2 18.3 -4.7 112 112 A F H X>S+ 0 0 7 -4,-2.8 4,-2.3 2,-0.2 5,-1.7 0.935 113.7 46.8 -66.5 -45.7 15.9 20.2 -2.7 113 113 A L H <5S+ 0 0 53 -4,-2.3 6,-2.5 -5,-0.3 -1,-0.2 0.889 118.8 43.0 -63.4 -36.9 18.8 18.5 -4.4 114 114 A A H <5S+ 0 0 14 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.931 124.9 29.3 -74.3 -49.3 17.3 19.1 -7.8 115 115 A L H <5S+ 0 0 58 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.827 131.7 26.8 -90.2 -35.9 16.0 22.6 -7.4 116 116 A V T <5S+ 0 0 33 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.881 131.4 32.0 -95.6 -48.7 18.4 24.2 -4.9 117 117 A R S - 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0 0 8 -4,-0.1 3,-1.6 -76,-0.1 4,-0.5 -0.894 52.1 -88.8-142.5 176.3 21.8 1.5 27.1 368 160 B L T > S+ 0 0 0 -78,-2.4 3,-1.5 1,-0.3 -77,-0.1 0.839 119.5 65.7 -54.8 -34.9 18.7 3.0 25.4 369 161 B A T 3> S+ 0 0 0 -79,-0.3 4,-1.8 1,-0.3 -1,-0.3 0.791 90.0 63.8 -60.8 -31.0 20.8 3.3 22.3 370 162 B D H <> S+ 0 0 0 -3,-1.6 4,-2.6 2,-0.2 5,-0.3 0.721 92.2 66.1 -68.1 -20.2 21.1 -0.5 22.0 371 163 B I H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.5 5,-0.2 0.993 108.8 32.6 -69.5 -58.4 17.3 -0.8 21.4 372 164 B P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.924 122.9 50.5 -61.3 -39.7 17.1 1.0 18.1 373 165 B I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.957 111.5 43.8 -65.2 -53.4 20.5 -0.2 17.0 374 166 B A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.896 112.4 53.8 -61.3 -37.5 20.1 -3.9 17.8 375 167 B L H X S+ 0 0 1 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.902 109.9 49.1 -61.3 -38.9 16.6 -3.9 16.2 376 168 B S H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.905 110.2 49.8 -65.0 -42.7 18.2 -2.4 13.1 377 169 B I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.919 107.1 55.0 -62.5 -42.6 20.9 -5.0 13.1 378 170 B N H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.914 105.9 52.7 -54.8 -44.8 18.3 -7.7 13.4 379 171 B R H X S+ 0 0 14 -4,-1.8 4,-0.7 36,-0.2 -1,-0.2 0.907 109.3 49.3 -57.2 -44.8 16.6 -6.3 10.3 380 172 B W H >< S+ 0 0 9 -4,-2.0 3,-0.6 1,-0.2 5,-0.3 0.914 112.9 46.7 -58.1 -45.2 19.9 -6.5 8.4 381 173 B L H 3< S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.736 114.2 46.8 -75.1 -23.9 20.5 -10.1 9.4 382 174 B E H 3< S+ 0 0 68 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.427 90.1 95.6 -98.7 -0.2 16.9 -11.2 8.6 383 175 B T S << S- 0 0 1 -4,-0.7 2,-2.5 -3,-0.6 -59,-0.1 -0.778 85.9-117.9 -88.7 132.3 16.7 -9.6 5.1 384 176 B P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.413 72.6 120.2 -73.6 70.9 17.6 -12.0 2.3 385 177 B I S S- 0 0 20 -2,-2.5 2,-0.3 -5,-0.3 -2,-0.0 -0.908 70.3-106.2-123.6 155.6 20.7 -10.0 1.1 386 178 B A - 0 0 85 -2,-0.3 2,-0.4 0, 0.0 -3,-0.0 -0.671 43.6-168.0 -79.4 140.0 24.3 -11.1 0.9 387 179 B R - 0 0 97 -2,-0.3 2,-0.1 -6,-0.0 3,-0.0 -0.973 22.0-122.1-131.8 145.3 26.3 -9.5 3.6 388 180 B D - 0 0 140 -2,-0.4 2,-0.4 1,-0.1 0, 0.0 -0.463 48.4 -91.8 -75.8 157.8 30.0 -9.2 4.4 389 181 B D - 0 0 113 -2,-0.1 -1,-0.1 1,-0.1 0, 0.0 -0.577 38.1-171.8 -77.0 130.4 31.0 -10.6 7.7 390 182 B L > - 0 0 26 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.845 1.9-174.4-119.5 92.9 31.0 -8.1 10.5 391 183 B P H > S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.824 81.3 48.7 -62.8 -37.8 32.6 -9.8 13.5 392 184 B A H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.896 111.1 52.8 -71.4 -35.0 32.0 -7.2 16.2 393 185 B V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.930 110.4 47.4 -58.7 -46.5 28.3 -6.9 15.1 394 186 B D H X S+ 0 0 64 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.907 111.6 50.2 -64.5 -41.5 28.0 -10.7 15.5 395 187 B A H X S+ 0 0 42 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.888 110.6 51.4 -62.3 -37.7 29.7 -10.6 18.9 396 188 B Y H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.924 109.6 46.4 -66.8 -47.3 27.3 -7.9 20.0 397 189 B M H X S+ 0 0 8 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.858 113.7 51.4 -65.8 -31.5 24.1 -9.7 19.0 398 190 B T H >< S+ 0 0 104 -4,-2.0 3,-1.1 -5,-0.2 4,-0.2 0.922 109.3 48.9 -70.1 -41.6 25.4 -12.8 20.7 399 191 B R H >< S+ 0 0 93 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.892 106.5 56.8 -69.5 -33.9 26.2 -10.9 23.9 400 192 B L H >< S+ 0 0 1 -4,-2.3 3,-2.2 1,-0.2 -1,-0.3 0.671 84.0 87.4 -65.5 -15.1 22.7 -9.3 23.8 401 193 B A T << S+ 0 0 43 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.683 75.3 67.4 -61.4 -18.9 21.2 -12.9 23.8 402 194 B S T < S+ 0 0 99 -3,-1.2 2,-0.6 -4,-0.2 -1,-0.3 0.524 80.8 91.3 -78.8 -5.5 21.3 -13.0 27.6 403 195 B R <> - 0 0 62 -3,-2.2 4,-1.9 1,-0.2 3,-0.4 -0.828 68.3-150.9 -93.4 122.3 18.6 -10.3 27.8 404 196 B D H > S+ 0 0 101 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.894 94.9 52.0 -54.9 -46.2 15.1 -11.7 28.0 405 197 B A H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.805 107.0 53.6 -67.0 -28.1 13.5 -8.7 26.4 406 198 B Y H >>S+ 0 0 5 -3,-0.4 5,-2.0 -6,-0.2 4,-1.9 0.908 109.6 48.0 -69.1 -42.7 15.9 -8.8 23.4 407 199 B R H <5S+ 0 0 121 -4,-1.9 -2,-0.2 -7,-0.2 -1,-0.2 0.904 118.0 42.8 -60.8 -38.9 15.1 -12.4 22.8 408 200 B E H <5S+ 0 0 99 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.907 130.7 17.0 -78.4 -43.5 11.4 -11.6 23.0 409 201 B Y H <5S+ 0 0 36 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.581 131.0 29.5-111.1 -12.4 11.1 -8.4 21.0 410 202 B C T <5S+ 0 0 0 -4,-1.9 2,-2.2 -5,-0.4 4,-0.2 0.753 119.3 35.1-110.1 -73.3 14.3 -8.1 18.9 411 203 B R S