==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-DEC-12 4IJI . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE-LIKE PROTEIN YIBF; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PROTEGENS; . AUTHOR M.W.VETTING,J.M.SAUDER,L.L.MORISCO,S.R.WASSERMAN,S.SOJITRA,H . 1598 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1141 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 4.0 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 72 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 741 46.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 2.4 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 10 0 9 0 5 3 7 1 4 4 0 0 8 0 0 0 0 7 1 0 0 0 0 0 2 4 2 RESIDUES PER ALPHA HELIX . 0 0 0 2 6 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 . 5 10 6 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 8 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 0 A S 0 0 65 0, 0.0 2,-0.4 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0-173.5 27.4 20.2 18.2 2 1 A L E -a 29 0A 0 26,-1.2 28,-3.0 281,-0.1 2,-0.4 -0.850 360.0-161.3 -91.4 141.3 25.6 17.2 16.8 3 2 A T E -aB 30 58A 7 55,-2.3 55,-3.3 -2,-0.4 2,-0.5 -0.986 4.1-163.6-128.5 125.5 23.4 17.9 13.8 4 3 A L E -aB 31 57A 0 26,-3.4 28,-2.9 -2,-0.4 2,-0.4 -0.920 20.5-132.0-109.4 125.4 20.6 15.7 12.6 5 4 A F E +a 32 0A 0 51,-2.7 51,-0.5 -2,-0.5 2,-0.3 -0.633 48.4 174.0 -71.4 128.5 19.1 16.0 9.1 6 5 A H E +a 33 0A 33 26,-2.8 28,-2.2 -2,-0.4 25,-0.0 -0.956 35.0 169.6-144.5 143.0 15.4 16.0 9.9 7 6 A N - 0 0 13 -2,-0.3 3,-0.3 26,-0.2 6,-0.1 -0.950 37.7-124.3-143.9 163.8 11.8 16.4 8.8 8 7 A P S S+ 0 0 65 0, 0.0 6,-0.0 0, 0.0 -2,-0.0 0.610 104.1 60.3 -81.2 -7.0 8.6 15.6 10.7 9 8 A A S S+ 0 0 17 194,-0.2 163,-0.1 4,-0.0 162,-0.1 0.813 80.1 94.6 -84.0 -32.4 7.3 13.2 8.1 10 9 A S > - 0 0 16 -3,-0.3 4,-2.2 1,-0.2 -3,-0.2 -0.432 56.0-161.2 -72.6 124.7 10.1 10.6 8.1 11 10 A P H > S+ 0 0 7 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.742 93.6 56.3 -75.8 -21.0 9.4 7.6 10.3 12 11 A Y H > S+ 0 0 38 2,-0.2 4,-1.2 42,-0.2 5,-0.1 0.883 109.3 46.0 -73.8 -40.6 13.2 6.7 10.3 13 12 A V H > S+ 0 0 1 41,-0.2 4,-2.4 1,-0.2 3,-0.3 0.922 108.6 58.3 -60.0 -43.3 13.9 10.2 11.6 14 13 A R H X S+ 0 0 18 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.890 98.7 57.0 -57.7 -39.9 11.1 9.7 14.1 15 14 A K H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.922 109.6 46.7 -55.1 -44.6 12.8 6.6 15.6 16 15 A V H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.3 -2,-0.2 0.925 112.7 48.6 -62.9 -44.3 15.8 8.8 16.3 17 16 A X H X S+ 0 0 21 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.898 110.7 50.7 -66.0 -39.8 13.7 11.6 17.8 18 17 A V H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.933 111.0 48.7 -64.6 -43.8 11.8 9.2 20.0 19 18 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.928 110.3 51.4 -60.6 -43.7 15.0 7.7 21.3 20 19 A L H X>S+ 0 0 1 -4,-2.6 5,-2.8 2,-0.2 6,-0.6 0.916 113.9 44.5 -58.9 -43.8 16.4 11.2 22.0 21 20 A H H ><5S+ 0 0 58 -4,-2.5 3,-1.3 3,-0.2 -2,-0.2 0.964 113.2 49.5 -62.1 -54.4 13.2 12.1 23.9 22 21 A E H 3<5S+ 0 0 56 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.845 117.0 41.7 -56.8 -36.1 13.1 8.8 25.9 23 22 A T H 3<5S- 0 0 6 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.419 111.5-114.8 -96.2 0.4 16.8 9.1 26.8 24 23 A G T <<5S+ 0 0 40 -3,-1.3 208,-0.4 -4,-0.6 -3,-0.2 0.851 80.1 117.9 73.6 37.5 16.8 12.8 27.7 25 24 A Q > < + 0 0 10 -5,-2.8 3,-1.7 -6,-0.2 4,-0.4 0.210 28.5 109.3-120.7 10.3 19.2 13.9 24.9 26 25 A L G > S+ 0 0 56 -6,-0.6 3,-1.5 1,-0.3 -1,-0.1 0.861 73.5 60.7 -58.1 -36.8 17.2 16.2 22.7 27 26 A N G 3 S+ 0 0 58 202,-0.4 258,-3.0 1,-0.3 259,-0.3 0.437 97.8 60.5 -79.2 5.0 19.1 19.4 23.8 28 27 A R G < S+ 0 0 18 -3,-1.7 -26,-1.2 256,-0.2 2,-0.6 0.601 94.3 73.0 -97.1 -13.8 22.3 18.0 22.4 29 28 A V E < -a 2 0A 8 -3,-1.5 2,-0.2 -4,-0.4 -26,-0.2 -0.890 63.9-155.4-116.5 116.2 21.1 17.6 18.8 30 29 A A E -a 3 0A 20 -28,-3.0 -26,-3.4 -2,-0.6 2,-0.4 -0.619 20.6-132.8 -79.4 147.4 20.5 20.5 16.4 31 30 A L E -a 4 0A 70 -2,-0.2 2,-0.6 -28,-0.2 608,-0.4 -0.866 13.8-163.9-104.9 132.2 18.0 19.8 13.6 32 31 A Q E -a 5 0A 3 -28,-2.9 -26,-2.8 -2,-0.4 606,-0.1 -0.969 26.4-126.4-111.8 117.4 18.7 20.7 9.9 33 32 A A E -a 6 0A 62 -2,-0.6 2,-0.4 604,-0.4 -26,-0.2 -0.321 28.9-174.5 -63.6 136.9 15.5 20.7 7.9 34 33 A S - 0 0 1 -28,-2.2 2,-0.5 2,-0.1 20,-0.0 -0.986 13.5-175.2-135.8 123.7 15.6 18.5 4.8 35 34 A Q + 0 0 141 -2,-0.4 2,-0.3 -28,-0.1 -28,-0.0 -0.990 34.1 136.7-114.8 128.1 12.9 18.2 2.2 36 35 A L + 0 0 35 -2,-0.5 -2,-0.1 6,-0.1 18,-0.0 -0.988 30.0 179.5-163.5 160.3 13.7 15.5 -0.4 37 36 A S B > -D 40 0B 19 3,-1.0 3,-1.2 -2,-0.3 5,-0.0 -0.938 52.7 -91.1-159.7 170.7 12.7 12.6 -2.5 38 37 A P T 3 S+ 0 0 12 0, 0.0 1100,-0.1 0, 0.0 15,-0.0 0.762 130.8 39.5 -61.6 -20.4 14.5 10.3 -5.0 39 38 A V T 3 S+ 0 0 51 1,-0.2 1092,-0.0 1095,-0.1 1093,-0.0 0.353 122.3 42.2-107.2 4.2 13.5 12.8 -7.8 40 39 A A B < S-D 37 0B 52 -3,-1.2 -3,-1.0 2,-0.0 -1,-0.2 -0.563 82.7-169.4-145.9 74.4 14.1 16.0 -5.8 41 40 A P - 0 0 78 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.210 25.5-123.8 -75.5 160.6 17.3 15.6 -3.8 42 41 A D > - 0 0 26 1,-0.1 4,-2.2 10,-0.1 764,-0.1 -0.908 19.7-161.1 -97.2 108.6 18.6 17.8 -1.1 43 42 A A H > S+ 0 0 31 -2,-0.7 4,-0.9 763,-0.2 -1,-0.1 0.814 89.2 54.0 -67.4 -29.2 22.0 18.8 -2.3 44 43 A A H > S+ 0 0 9 762,-0.2 4,-0.5 1,-0.2 3,-0.4 0.914 109.9 47.4 -68.8 -41.7 23.2 19.8 1.2 45 44 A L H >> S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 3,-1.7 0.909 104.2 61.5 -61.9 -41.5 22.3 16.4 2.5 46 45 A N H 3< S+ 0 0 24 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.778 95.2 61.3 -60.7 -28.6 24.0 14.6 -0.4 47 46 A Q H 3< S+ 0 0 71 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.763 117.2 30.9 -68.3 -24.1 27.3 16.1 0.6 48 47 A D H << S+ 0 0 14 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.1 0.814 133.6 27.1-100.4 -44.3 27.0 14.3 4.0 49 48 A N >< - 0 0 2 -4,-3.2 3,-2.3 1,-0.1 -1,-0.3 -0.923 67.5-163.3-118.8 104.8 25.1 11.2 3.1 50 49 A P T 3 S+ 0 0 4 0, 0.0 1092,-0.2 0, 0.0 1091,-0.2 0.730 86.2 68.9 -61.6 -19.8 25.7 10.3 -0.6 51 50 A L T 3 S- 0 0 10 1090,-0.1 1087,-0.1 2,-0.1 -5,-0.1 0.633 103.0-130.3 -71.3 -13.0 22.6 8.1 -0.6 52 51 A G < + 0 0 8 -3,-2.3 2,-0.3 1,-0.2 -6,-0.1 0.902 62.3 126.8 65.8 41.1 20.4 11.2 -0.3 53 52 A K - 0 0 96 -4,-0.2 -1,-0.2 -8,-0.1 -2,-0.1 -0.965 51.1-100.7-130.1 151.2 18.4 9.8 2.7 54 53 A I S S+ 0 0 16 -2,-0.3 -41,-0.2 -3,-0.1 -42,-0.2 -0.871 83.8 55.4-112.1 151.2 17.5 11.0 6.1 55 54 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 12,-0.3 0.445 62.4 156.1 -77.0 156.0 18.3 10.6 9.0 56 55 A A - 0 0 0 -51,-0.5 -51,-2.7 -2,-0.1 2,-0.5 -0.973 26.9-149.7-138.9 143.1 22.0 11.5 8.8 57 56 A L E -BC 4 65A 1 8,-2.6 8,-3.0 -2,-0.3 2,-0.6 -0.953 0.5-155.0-121.6 118.0 23.9 12.6 11.9 58 57 A R E -BC 3 64A 13 -55,-3.3 -55,-2.3 -2,-0.5 6,-0.2 -0.819 18.5-146.8 -90.4 121.9 26.8 14.9 11.7 59 58 A L > - 0 0 19 4,-3.3 3,-1.7 -2,-0.6 -57,-0.1 -0.233 33.5 -90.7 -79.0 175.4 29.1 14.5 14.7 60 59 A D T 3 S+ 0 0 81 1,-0.3 -1,-0.1 2,-0.1 -58,-0.1 0.855 127.1 48.2 -57.7 -36.1 31.1 17.3 16.3 61 60 A N T 3 S- 0 0 126 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.422 122.3-102.0 -86.8 0.6 34.2 16.6 14.1 62 61 A G S < S+ 0 0 38 -3,-1.7 2,-0.1 1,-0.4 -2,-0.1 0.390 75.5 140.1 93.1 -4.0 32.1 16.5 10.9 63 62 A Q - 0 0 48 -5,-0.1 -4,-3.3 1,-0.0 2,-0.5 -0.502 44.5-140.7 -66.3 143.3 32.1 12.7 10.6 64 63 A V E -C 58 0A 14 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.927 12.2-158.4-116.6 131.3 28.6 11.6 9.4 65 64 A L E -C 57 0A 0 -8,-3.0 -8,-2.6 -2,-0.5 2,-0.3 -0.866 19.9-163.2-104.7 142.9 26.7 8.6 10.5 66 65 A Y + 0 0 8 -2,-0.4 1037,-0.3 1030,-0.2 1038,-0.2 -0.915 40.9 40.2-164.5 163.9 23.8 6.9 8.6 67 66 A D S >> S- 0 0 47 -12,-0.3 4,-2.2 -2,-0.3 3,-0.6 0.593 77.6-101.8 -85.7-157.0 21.5 5.1 8.3 68 67 A S H 3> S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.844 118.8 54.4 -58.0 -37.5 18.9 5.2 11.1 69 68 A R H 3> S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 109.7 47.4 -65.5 -35.7 20.0 2.0 12.7 70 69 A V H <> S+ 0 0 6 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.910 112.9 49.1 -69.1 -42.4 23.6 3.2 12.9 71 70 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.921 111.1 49.3 -62.6 -44.5 22.5 6.5 14.4 72 71 A L H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.911 109.8 52.1 -59.7 -43.3 20.3 4.8 17.0 73 72 A D H < S+ 0 0 15 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.926 112.8 45.1 -59.7 -47.0 23.2 2.5 18.0 74 73 A Y H >< S+ 0 0 20 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.936 113.8 47.7 -61.7 -48.8 25.5 5.5 18.5 75 74 A L H >< S+ 0 0 1 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.817 101.3 64.6 -69.9 -28.4 23.0 7.6 20.4 76 75 A D T 3< S+ 0 0 8 -4,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.691 102.8 50.5 -67.9 -15.3 22.0 4.7 22.7 77 76 A Q T < S+ 0 0 43 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.391 94.8 73.4 -99.5 4.7 25.6 4.8 24.0 78 77 A Q S < S+ 0 0 21 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 0.352 91.7 58.8-100.8 6.2 25.5 8.6 24.7 79 78 A H S S- 0 0 14 -3,-0.3 154,-0.2 -4,-0.2 -55,-0.1 -0.872 73.4-136.8-128.6 163.6 23.3 8.5 27.8 80 79 A V S S+ 0 0 52 152,-2.8 153,-0.1 -2,-0.3 -3,-0.0 0.212 70.9 98.4-111.0 15.8 23.8 6.7 31.1 81 80 A G S S- 0 0 31 151,-0.3 -2,-0.1 1,-0.2 3,-0.1 -0.159 93.8 -52.1 -85.7-172.7 20.2 5.4 31.5 82 81 A N - 0 0 138 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 -0.434 69.1-109.2 -61.8 131.9 19.0 1.8 30.7 83 82 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.331 15.8-152.5 -62.9 144.6 20.0 1.0 27.1 84 83 A L S S+ 0 0 12 1,-0.2 73,-2.8 -8,-0.1 74,-0.3 0.539 89.6 53.9 -92.6 -10.3 17.2 0.8 24.6 85 84 A I S S- 0 0 7 71,-0.2 -1,-0.2 -9,-0.1 7,-0.1 -0.978 94.5-124.5-120.8 116.2 19.3 -1.6 22.5 86 85 A P - 0 0 26 0, 0.0 10,-0.1 0, 0.0 -2,-0.1 -0.344 18.1-158.3 -58.7 134.9 20.5 -4.7 24.5 87 86 A R + 0 0 50 779,-0.1 2,-0.3 -4,-0.0 780,-0.1 0.668 68.8 28.0 -95.4 -14.5 24.3 -4.8 24.1 88 87 A D S > S+ 0 0 73 778,-0.1 4,-0.6 779,-0.0 3,-0.2 -0.898 95.1 16.1-134.2 161.6 24.8 -8.5 24.9 89 88 A G H >> S- 0 0 19 -2,-0.3 3,-1.1 1,-0.2 4,-0.9 0.217 94.1 -46.7 79.8 175.2 22.9 -11.7 24.6 90 89 A S H 3> S+ 0 0 32 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.805 125.1 65.5 -58.4 -33.2 19.8 -13.3 22.9 91 90 A A H 3> S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.878 95.2 60.1 -59.4 -36.5 17.7 -10.3 23.8 92 91 A R H S+ 0 0 59 -4,-2.5 4,-1.8 1,-0.2 5,-1.7 0.902 112.6 50.1 -68.2 -38.5 6.5 7.2 -3.7 115 114 A E H <5S+ 0 0 8 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.955 119.5 35.5 -60.4 -50.6 4.6 5.0 -6.2 116 115 A L H <5S+ 0 0 85 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.877 127.1 34.2 -76.6 -38.9 1.2 6.6 -5.4 117 116 A A H <5S+ 0 0 47 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.780 130.6 23.7 -90.0 -29.0 2.3 10.2 -4.7 118 117 A L T <5S+ 0 0 65 -4,-1.8 -3,-0.2 -5,-0.4 2,-0.2 0.817 101.8 77.6-108.7 -42.2 5.1 10.8 -7.1 119 118 A R S - 0 0 35 -2,-0.2 3,-2.2 1,-0.1 4,-0.3 -0.311 32.8-122.8 -57.5 136.5 2.3 9.1 -12.8 121 120 A P G > S+ 0 0 97 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.792 110.3 57.9 -54.1 -37.1 -1.0 7.2 -12.2 122 121 A E G 3 S+ 0 0 137 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.637 105.6 53.0 -70.6 -13.0 -0.9 5.4 -15.5 123 122 A K G < S+ 0 0 54 -3,-2.2 -1,-0.3 -8,-0.1 2,-0.1 0.361 77.4 127.5-100.7 3.0 2.4 4.0 -14.5 124 123 A H < - 0 0 28 -3,-1.4 2,-1.0 -4,-0.3 -8,-0.0 -0.401 56.7-140.0 -61.8 132.7 1.2 2.6 -11.2 125 124 A W > - 0 0 26 1,-0.2 4,-2.5 -2,-0.1 3,-0.4 -0.781 19.6-174.8-101.2 90.4 2.1 -1.1 -10.9 126 125 A E H > S+ 0 0 92 -2,-1.0 4,-2.9 1,-0.2 5,-0.2 0.842 79.2 54.3 -57.5 -41.3 -0.9 -2.7 -9.3 127 126 A Q H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 112.5 44.0 -64.4 -39.4 0.5 -6.2 -9.0 128 127 A W H > S+ 0 0 23 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.902 111.5 53.6 -69.0 -42.0 3.5 -4.9 -7.1 129 128 A L H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.929 109.1 49.8 -57.4 -45.7 1.3 -2.5 -5.0 130 129 A D H X S+ 0 0 84 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.909 109.2 52.7 -54.7 -47.3 -0.8 -5.6 -4.0 131 130 A G H X S+ 0 0 1 -4,-1.8 4,-2.4 917,-0.4 -2,-0.2 0.902 110.3 46.5 -57.1 -44.3 2.4 -7.4 -3.1 132 131 A Q H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.897 110.0 53.6 -67.5 -41.7 3.6 -4.6 -0.8 133 132 A R H X S+ 0 0 85 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.931 111.9 46.0 -55.1 -47.0 0.1 -4.4 0.8 134 133 A D H X S+ 0 0 45 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.898 109.3 53.7 -65.0 -42.1 0.3 -8.2 1.5 135 134 A K H X S+ 0 0 85 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.884 110.7 47.3 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-64.8 -52.7 40.2 7.3 43.6 250 44 B L H >> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 3,-2.3 0.896 104.3 62.7 -54.4 -41.7 39.6 10.9 42.9 251 45 B N H 3< S+ 0 0 17 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.746 94.0 62.0 -59.4 -24.2 43.3 11.7 43.1 252 46 B Q T << S+ 0 0 100 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.620 116.4 31.3 -75.3 -14.5 44.0 9.5 40.2 253 47 B D T <4 S+ 0 0 11 -3,-2.3 -2,-0.2 -4,-0.4 -3,-0.1 0.767 134.4 24.4-107.6 -48.4 41.7 11.8 38.1 254 48 B N >< - 0 0 2 -4,-3.0 3,-2.4 1,-0.1 -1,-0.3 -0.930 66.2-163.1-119.6 106.6 42.3 15.2 39.7 255 49 B P T 3 S+ 0 0 4 0, 0.0 285,-0.2 0, 0.0 284,-0.2 0.730 86.6 70.1 -63.1 -21.5 45.6 15.3 41.5 256 50 B L T 3 S- 0 0 8 283,-0.1 280,-0.1 2,-0.1 3,-0.1 0.643 103.7-130.3 -67.3 -14.5 44.5 18.4 43.4 257 51 B G < + 0 0 7 -3,-2.4 2,-0.3 1,-0.2 -6,-0.1 0.912 62.5 128.4 64.9 41.8 42.1 16.1 45.3 258 52 B K - 0 0 90 -4,-0.2 -1,-0.2 -8,-0.1 -2,-0.1 -0.956 51.0-102.1-128.6 151.2 39.1 18.4 44.7 259 53 B I S S+ 0 0 17 -2,-0.3 -41,-0.2 -3,-0.1 -42,-0.2 -0.907 84.7 55.3-113.9 148.5 35.6 17.9 43.3 260 54 B P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 12,-0.3 0.416 62.7 156.6 -78.1 158.0 34.1 18.4 40.8 261 55 B A E -F 210 0C 0 -51,-0.6 -51,-2.8 -2,-0.1 2,-0.5 -0.977 26.0-151.7-142.0 136.9 36.2 16.6 38.3 262 56 B L E -FG 209 270C 1 8,-2.7 8,-2.9 -2,-0.3 2,-0.6 -0.944 0.5-155.6-118.5 116.2 34.8 15.3 34.9 263 57 B R E -FG 208 269C 14 -55,-3.3 -55,-2.1 -2,-0.5 6,-0.2 -0.794 18.7-147.2 -90.7 119.2 36.2 12.3 33.2 264 58 B L > - 0 0 19 4,-3.6 3,-1.6 -2,-0.6 -57,-0.1 -0.182 31.2 -93.1 -78.0 176.1 35.4 12.5 29.5 265 59 B D T 3 S+ 0 0 74 1,-0.3 -1,-0.1 2,-0.1 -58,-0.0 0.856 126.2 51.5 -58.8 -37.3 34.8 9.4 27.2 266 60 B N T 3 S- 0 0 116 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.432 122.5-104.4 -80.5 -1.6 38.4 9.2 26.2 267 61 B G S < S+ 0 0 35 -3,-1.6 -2,-0.1 1,-0.3 2,-0.1 0.353 76.3 139.3 92.7 -6.9 39.5 9.2 29.8 268 62 B Q - 0 0 46 -5,-0.1 -4,-3.6 1,-0.0 2,-0.4 -0.469 44.9-139.1 -69.7 145.6 40.7 12.9 29.7 269 63 B V E -G 263 0C 16 -6,-0.2 2,-0.4 -16,-0.1 -6,-0.2 -0.908 11.3-157.4-115.1 132.7 39.8 14.7 32.9 270 64 B L E -G 262 0C 0 -8,-2.9 -8,-2.7 -2,-0.4 2,-0.3 -0.887 21.7-165.1-105.1 140.5 38.5 18.3 33.2 271 65 B Y + 0 0 8 -2,-0.4 230,-0.3 223,-0.2 231,-0.2 -0.915 40.1 39.5-164.6 164.7 38.7 20.4 36.4 272 66 B D S >> S- 0 0 46 -12,-0.3 4,-2.2 -2,-0.3 3,-0.6 0.609 77.9-101.6 -83.9-155.7 38.1 22.7 38.1 273 67 B S H 3> S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.852 118.8 54.3 -56.7 -39.4 34.4 23.7 38.2 274 68 B R H 3> S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 110.2 47.0 -64.8 -36.7 34.8 26.7 35.9 275 69 B V H <> S+ 0 0 6 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.913 112.8 49.2 -68.8 -43.2 36.5 24.6 33.2 276 70 B I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.912 111.4 49.5 -61.8 -43.7 33.8 21.9 33.5 277 71 B L H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.903 109.4 52.2 -61.9 -41.6 31.0 24.5 33.2 278 72 B D H < S+ 0 0 11 -4,-2.0 4,-0.4 -5,-0.2 -2,-0.2 0.928 112.7 45.0 -61.7 -45.1 32.7 26.0 30.2 279 73 B Y H >< S+ 0 0 18 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.946 113.7 48.4 -61.7 -50.4 32.9 22.6 28.5 280 74 B L H >< S+ 0 0 1 -4,-2.8 3,-1.6 1,-0.3 4,-0.3 0.826 102.5 62.0 -66.4 -29.4 29.3 21.6 29.4 281 75 B D T 3< S+ 0 0 3 -4,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.662 104.6 50.2 -69.6 -13.1 27.8 24.9 28.2 282 76 B Q T < S+ 0 0 43 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.261 96.4 70.7-107.0 11.5 29.1 24.0 24.7 283 77 B Q S < S+ 0 0 23 -3,-1.6 2,-0.3 -4,-0.1 -2,-0.2 0.386 91.7 62.9-107.3 -0.3 27.6 20.5 24.7 284 78 B H S S- 0 0 15 -4,-0.3 -256,-0.2 -3,-0.2 -55,-0.1 -0.839 73.1-136.7-121.3 162.8 23.9 21.6 24.4 285 79 B V S S+ 0 0 53 -258,-3.0 -257,-0.1 -2,-0.3 -4,-0.0 0.230 71.7 98.0-107.0 13.9 22.2 23.6 21.6 286 80 B G S S- 0 0 29 -259,-0.3 -2,-0.1 1,-0.2 3,-0.1 -0.118 92.3 -51.8 -83.4-171.7 20.1 25.9 23.8 287 81 B N - 0 0 87 1,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.439 68.3-106.5 -64.0 133.7 20.9 29.5 24.8 288 82 B P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.366 19.5-157.5 -64.1 137.8 24.5 29.7 26.2 289 83 B L S S+ 0 0 12 1,-0.2 73,-2.8 -8,-0.1 74,-0.3 0.522 87.0 56.1 -90.5 -9.2 24.7 30.2 30.0 290 84 B I S S- 0 0 4 71,-0.2 -1,-0.2 -9,-0.1 7,-0.1 -0.977 94.7-124.5-119.5 118.1 28.2 31.7 29.5 291 85 B P + 0 0 22 0, 0.0 3,-0.1 0, 0.0 10,-0.1 -0.339 33.8 169.5 -64.9 142.3 28.3 34.7 27.1 292 86 B R + 0 0 42 376,-0.2 3,-0.1 1,-0.1 375,-0.0 0.192 62.5 68.1-132.1 14.2 30.7 34.3 24.2 293 87 B D S S- 0 0 36 376,-0.1 2,-0.3 1,-0.1 377,-0.1 -0.192 102.4 -27.0-137.6 36.3 29.8 37.3 21.9 294 88 B G S > S- 0 0 11 1,-0.1 3,-1.6 -3,-0.1 4,-0.4 -0.948 91.4 -36.1 148.3-170.6 30.7 40.5 23.7 295 89 B S T 3> S+ 0 0 33 1252,-2.4 4,-1.4 -2,-0.3 3,-0.4 0.646 113.2 75.0 -66.1 -20.2 31.4 42.5 26.9 296 90 B A H 3> S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.829 85.0 70.3 -61.7 -29.6 28.6 40.7 28.8 297 91 B R H <> S+ 0 0 10 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.936 101.5 40.2 -52.0 -50.6 31.1 37.8 29.0 298 92 B W H > S+ 0 0 17 -4,-0.4 4,-1.6 -3,-0.4 169,-0.2 0.808 114.2 52.3 -80.6 -23.8 33.4 39.5 31.4 299 93 B R H X S+ 0 0 44 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.945 113.2 43.9 -69.4 -47.9 30.7 41.0 33.5 300 94 B R H X S+ 0 0 19 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.910 114.5 50.4 -64.7 -38.4 28.9 37.7 34.0 301 95 B L H X S+ 0 0 28 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.841 108.3 52.0 -70.0 -31.9 32.2 35.9 34.6 302 96 B T H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.911 109.7 49.5 -69.0 -40.8 33.3 38.5 37.2 303 97 B L H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.899 110.3 51.4 -62.2 -39.0 30.0 38.0 39.1 304 98 B A H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.898 109.4 50.1 -62.2 -40.7 30.6 34.3 38.9 305 99 B A H X S+ 0 0 4 -4,-2.0 4,-2.1 162,-0.3 -2,-0.2 0.841 105.8 55.9 -68.9 -34.3 34.1 34.8 40.4 306 100 B L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.947 110.3 46.3 -58.1 -47.4 32.6 36.9 43.2 307 101 B A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.904 110.0 52.4 -61.1 -44.7 30.4 34.0 44.0 308 102 B D H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.859 106.8 54.5 -60.5 -36.3 33.3 31.5 43.8 309 103 B G H X S+ 0 0 20 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.869 106.4 50.7 -65.4 -37.0 35.2 33.8 46.2 310 104 B I H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.937 113.0 46.7 -63.8 -44.1 32.3 33.5 48.7 311 105 B X H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.922 110.4 52.3 -61.9 -44.5 32.4 29.8 48.3 312 106 B D H X S+ 0 0 76 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.921 113.6 43.2 -59.4 -45.9 36.2 29.6 48.7 313 107 B A H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.898 113.6 52.6 -66.3 -40.0 36.0 31.6 51.9 314 108 B S H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.886 109.3 48.6 -64.8 -39.8 33.0 29.6 53.1 315 109 B V H X S+ 0 0 19 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.909 109.9 51.1 -69.1 -41.9 34.8 26.3 52.5 316 110 B L H X S+ 0 0 39 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.912 111.3 48.7 -61.2 -42.0 38.0 27.5 54.4 317 111 B V H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.929 110.5 50.9 -62.7 -46.7 35.8 28.5 57.3 318 112 B R H X S+ 0 0 83 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.935 111.5 47.8 -52.7 -49.9 34.0 25.2 57.3 319 113 B Y H X>S+ 0 0 58 -4,-2.6 4,-2.1 1,-0.2 5,-1.4 0.904 111.9 50.2 -63.2 -40.0 37.3 23.3 57.3 320 114 B E H X5S+ 0 0 8 -4,-2.3 4,-0.6 3,-0.2 -2,-0.2 0.956 118.3 37.5 -61.1 -49.6 38.7 25.4 60.1 321 115 B L H <5S+ 0 0 68 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.877 126.0 34.4 -73.5 -40.6 35.7 25.0 62.4 322 116 B A H <5S+ 0 0 48 -4,-2.9 -3,-0.2 -5,-0.3 -1,-0.2 0.772 130.1 25.3 -89.7 -29.6 34.8 21.3 61.6 323 117 B L H <5S+ 0 0 61 -4,-2.1 -3,-0.2 -5,-0.4 2,-0.2 0.816 101.9 76.7-106.8 -42.5 38.3 19.8 61.1 324 118 B R S < - 0 0 33 -2,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.324 32.2-123.9 -56.0 136.3 41.2 21.4 66.7 326 120 B P G > S+ 0 0 98 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.801 109.7 57.7 -55.7 -37.1 39.3 24.2 68.6 327 121 B E G 3 S+ 0 0 135 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.680 106.2 52.1 -70.7 -13.4 42.4 25.4 70.5 328 122 B K G < S+ 0 0 53 -3,-1.9 -1,-0.3 -8,-0.1 2,-0.2 0.311 79.8 128.4-102.0 5.9 44.1 26.0 67.2 329 123 B H < - 0 0 21 -3,-1.5 2,-0.9 -4,-0.2 -8,-0.0 -0.442 54.4-143.4 -65.6 134.2 41.2 28.1 65.7 330 124 B W > - 0 0 24 1,-0.2 4,-2.2 -2,-0.2 3,-0.3 -0.828 18.5-176.3-102.4 93.0 42.5 31.4 64.4 331 125 B E H > S+ 0 0 91 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.870 78.8 54.9 -64.5 -39.6 39.7 33.8 65.3 332 126 B Q H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.879 111.4 45.5 -62.1 -37.8 41.1 36.8 63.5 333 127 B W H > S+ 0 0 23 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.876 110.9 53.0 -73.0 -40.3 41.3 34.9 60.3 334 128 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.913 111.2 46.3 -57.4 -45.6 37.8 33.5 60.7 335 129 B D H X S+ 0 0 76 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.854 110.4 55.5 -66.3 -33.6 36.4 37.0 61.2 336 130 B G H X S+ 0 0 13 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.949 108.8 45.7 -61.0 -50.3 38.5 38.1 58.2 337 131 B Q H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.869 110.9 53.0 -61.8 -41.2 36.9 35.4 56.0 338 132 B R H X S+ 0 0 33 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.835 108.3 51.2 -63.8 -33.8 33.4 36.3 57.3 339 133 B D H X S+ 0 0 67 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.881 106.2 54.2 -70.7 -39.2 34.0 39.9 56.4 340 134 B K H X S+ 0 0 105 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.917 110.9 47.5 -55.3 -45.3 35.1 39.0 52.9 341 135 B I H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 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