==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 20-NOV-97 13GS . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.J.OAKLEY,M.LO BELLO,M.W.PARKER . 418 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 73.7 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 . 16 3.8 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 . 192 45.9 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 4 0 2 0 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 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 0 A M 0 0 223 0, 0.0 27,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 146.1 30.6 -1.3 43.3 2 1 A P - 0 0 39 0, 0.0 27,-0.1 0, 0.0 57,-0.1 -0.379 360.0-141.1 -67.6 140.2 30.2 -0.6 39.5 3 2 A P S S+ 0 0 76 0, 0.0 56,-2.1 0, 0.0 2,-0.4 0.572 84.0 76.5 -78.2 -2.7 30.7 3.0 38.3 4 3 A Y E +A 58 0A 16 24,-0.4 26,-2.3 54,-0.2 2,-0.4 -0.886 54.2 173.3-110.6 137.3 27.8 2.5 35.9 5 4 A T E -Ab 57 30A 24 52,-1.7 52,-2.2 -2,-0.4 2,-0.5 -0.990 11.9-163.2-140.4 126.0 24.1 2.6 36.9 6 5 A V E -Ab 56 31A 1 24,-2.7 26,-2.7 -2,-0.4 2,-0.6 -0.963 4.4-161.2-114.3 128.0 21.2 2.4 34.4 7 6 A V E +Ab 55 32A 13 48,-2.9 48,-1.7 -2,-0.5 2,-0.3 -0.946 34.3 131.1-107.5 117.3 17.8 3.5 35.7 8 7 A Y E - b 0 33A 23 24,-1.8 26,-2.3 -2,-0.6 -2,-0.0 -0.970 57.6 -84.2-159.3 169.2 14.9 2.3 33.5 9 8 A F - 0 0 55 -2,-0.3 2,-2.2 24,-0.2 26,-0.2 -0.296 59.6 -92.4 -72.1 159.3 11.6 0.5 33.4 10 9 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.250 96.3 94.6 -74.5 56.6 11.6 -3.3 33.3 11 10 A V S S- 0 0 15 -2,-2.2 193,-0.2 191,-0.2 194,-0.1 -0.868 77.2-126.2-135.1 165.5 11.7 -3.5 29.5 12 11 A R >> + 0 0 37 191,-2.2 3,-2.2 -2,-0.3 4,-0.9 0.959 69.2 122.4 -76.3 -56.4 14.4 -3.8 26.9 13 12 A G G >4 S- 0 0 13 191,-2.5 3,-1.0 1,-0.3 4,-0.3 0.087 86.1 -8.6 36.5-131.1 13.3 -0.7 24.9 14 13 A R G 34 S+ 0 0 63 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.451 134.1 60.7 -76.3 0.8 15.8 2.1 24.5 15 14 A C G <> S+ 0 0 0 -3,-2.2 4,-2.1 2,-0.1 -1,-0.2 0.558 77.1 87.6-103.1 -9.5 18.2 0.4 26.9 16 15 A A H S+ 0 0 4 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.898 112.0 47.0 -63.3 -44.3 21.6 -1.5 22.9 18 17 A L H > S+ 0 0 2 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.859 112.1 51.8 -68.3 -30.9 23.6 0.1 25.7 19 18 A R H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.896 109.6 49.5 -69.2 -38.9 23.2 -3.1 27.8 20 19 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.902 111.4 50.9 -64.5 -38.6 24.5 -5.1 24.9 21 20 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.953 112.0 44.9 -61.8 -53.2 27.4 -2.7 24.6 22 21 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.2 0.914 115.7 48.0 -58.5 -45.2 28.4 -2.9 28.3 23 22 A A H ><5S+ 0 0 16 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.949 112.7 46.5 -62.1 -51.7 28.1 -6.7 28.3 24 23 A D H 3<5S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.3 165,-0.2 0.808 111.8 52.4 -62.6 -30.8 30.1 -7.3 25.1 25 24 A Q T 3<5S- 0 0 55 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.413 115.1-115.9 -86.4 4.0 32.8 -4.9 26.4 26 25 A G T < 5 + 0 0 45 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.746 63.4 148.7 70.8 25.1 33.0 -6.8 29.7 27 26 A Q < - 0 0 72 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.638 40.9-134.9 -93.9 151.2 31.8 -3.8 31.9 28 27 A S + 0 0 75 -2,-0.2 -24,-0.4 -27,-0.1 2,-0.3 -0.779 28.7 169.5-101.0 146.1 29.8 -4.2 35.1 29 28 A W - 0 0 38 -2,-0.3 2,-0.4 -27,-0.1 -24,-0.2 -0.971 29.5-124.1-151.6 161.5 26.8 -2.0 35.8 30 29 A K E -b 5 0A 93 -26,-2.3 -24,-2.7 -2,-0.3 2,-0.5 -0.912 20.3-143.9-111.3 136.1 24.0 -1.8 38.3 31 30 A E E -b 6 0A 48 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.2 -0.876 8.7-166.1-102.1 131.4 20.3 -1.8 37.2 32 31 A E E -b 7 0A 93 -26,-2.7 -24,-1.8 -2,-0.5 2,-0.3 -0.949 17.4-148.0-116.8 105.7 17.8 0.3 39.1 33 32 A V E -b 8 0A 89 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.2 -0.598 6.4-157.8 -80.6 131.7 14.3 -0.9 38.0 34 33 A V - 0 0 8 -26,-2.3 2,-0.1 -2,-0.3 -2,-0.0 -0.945 10.9-152.1-111.5 114.0 11.6 1.7 38.0 35 34 A T > - 0 0 41 -2,-0.6 4,-2.5 -26,-0.2 5,-0.2 -0.482 28.3-112.1 -82.6 155.3 8.1 0.3 38.2 36 35 A V H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.816 120.4 56.8 -54.9 -31.3 5.1 2.0 36.7 37 36 A E H > S+ 0 0 135 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.984 108.0 44.3 -63.2 -58.7 3.9 2.6 40.3 38 37 A T H >4 S+ 0 0 65 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.852 114.9 50.2 -53.4 -41.3 7.2 4.4 41.3 39 38 A W H >< S+ 0 0 41 -4,-2.5 3,-1.5 1,-0.2 6,-0.4 0.924 107.6 51.9 -65.9 -46.3 7.0 6.4 38.0 40 39 A Q H 3< S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.578 92.0 77.6 -68.5 -9.1 3.4 7.5 38.5 41 40 A E T << S- 0 0 127 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.822 95.4-141.8 -68.3 -31.0 4.3 8.7 41.9 42 41 A G S <> S+ 0 0 31 -3,-1.5 4,-2.3 -4,-0.5 5,-0.2 -0.063 73.5 95.0 100.4 -35.1 5.8 11.7 40.2 43 42 A S H > S+ 0 0 64 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.892 88.3 44.8 -60.7 -45.7 9.0 12.5 42.2 44 43 A L H >> S+ 0 0 30 -6,-0.4 4,-1.0 2,-0.2 3,-0.8 0.944 113.6 51.5 -63.6 -48.1 11.5 10.6 40.0 45 44 A K H >4 S+ 0 0 92 -6,-0.4 3,-1.1 1,-0.3 6,-0.3 0.921 107.2 53.1 -52.9 -49.4 9.9 12.0 36.8 46 45 A A H 3< S+ 0 0 90 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.740 108.4 50.6 -60.8 -25.9 10.2 15.6 38.1 47 46 A S H << S+ 0 0 73 -4,-1.0 2,-0.4 -3,-0.8 -1,-0.3 0.621 88.2 97.2 -88.8 -12.8 13.9 15.1 38.8 48 47 A C S X< S- 0 0 5 -3,-1.1 3,-1.7 -4,-1.0 5,-0.1 -0.629 81.3-127.3 -77.9 129.8 14.6 13.8 35.3 49 48 A L T 3 S+ 0 0 32 -2,-0.4 -1,-0.1 1,-0.3 292,-0.1 0.868 107.2 18.9 -43.0 -53.8 15.9 16.6 33.1 50 49 A Y T 3 S- 0 0 41 2,-0.3 -1,-0.3 288,-0.1 3,-0.1 0.114 115.6-104.5-107.3 20.8 13.4 16.0 30.2 51 50 A G S < S+ 0 0 11 -3,-1.7 2,-0.3 -6,-0.3 -2,-0.1 0.724 87.9 100.0 64.9 26.7 11.0 14.1 32.5 52 51 A Q - 0 0 116 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.932 61.2 -95.8-141.8 161.5 12.0 10.7 30.9 53 52 A L S S+ 0 0 19 -2,-0.3 2,-0.1 -3,-0.1 13,-0.1 -0.722 72.9 79.3-108.6 164.0 14.1 7.6 31.4 54 53 A P - 0 0 5 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.426 55.2-178.4 -69.6 157.3 16.7 6.1 30.9 55 54 A K E -AC 7 64A 39 -48,-1.7 -48,-2.9 9,-0.2 2,-0.4 -0.956 6.8-166.5-122.8 139.8 18.9 7.9 33.4 56 55 A F E -AC 6 63A 1 7,-2.6 7,-3.1 -2,-0.4 2,-0.4 -0.987 8.8-160.8-134.3 142.8 22.5 6.8 33.5 57 56 A Q E +AC 5 62A 58 -52,-2.2 -52,-1.7 -2,-0.4 2,-0.5 -0.987 11.0 179.8-128.0 133.4 25.3 7.5 36.0 58 57 A D E > S-AC 4 61A 36 3,-2.5 3,-2.2 -2,-0.4 2,-0.4 -0.908 78.0 -52.7-126.8 95.4 29.0 7.2 35.4 59 58 A G T 3 S- 0 0 55 -56,-2.1 -54,-0.0 -2,-0.5 0, 0.0 -0.588 122.7 -23.4 69.6-124.3 30.5 8.1 38.7 60 59 A D T 3 S+ 0 0 144 -2,-0.4 2,-0.6 -3,-0.1 -1,-0.3 0.280 113.9 107.9-102.5 10.1 28.9 11.4 39.5 61 60 A L E < -C 58 0A 15 -3,-2.2 -3,-2.5 2,-0.0 2,-0.5 -0.795 54.6-163.2 -88.1 119.1 28.1 12.2 35.8 62 61 A T E -C 57 0A 48 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.930 10.0-176.0-108.6 125.4 24.4 11.8 35.3 63 62 A L E -C 56 0A 0 -7,-3.1 -7,-2.6 -2,-0.5 2,-0.3 -0.843 11.9-168.4-121.3 155.8 23.1 11.5 31.8 64 63 A Y E +C 55 0A 24 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.891 52.5 62.3-133.9 162.7 19.7 11.3 30.1 65 64 A Q S >> S- 0 0 31 -11,-0.8 4,-2.1 -2,-0.3 3,-0.6 0.737 72.7-122.0 83.5 113.2 18.8 10.4 26.5 66 65 A S H 3> S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.855 110.5 48.4 -53.1 -41.6 19.7 6.9 25.2 67 66 A N H 3> S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.808 108.0 54.6 -73.0 -26.4 21.8 8.2 22.2 68 67 A T H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.926 110.0 48.4 -67.9 -42.8 23.8 10.6 24.5 69 68 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.922 111.6 49.3 -61.5 -45.6 24.5 7.6 26.7 70 69 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.921 112.7 47.0 -60.8 -45.7 25.6 5.5 23.7 71 70 A R H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.874 110.7 52.5 -64.7 -37.4 27.9 8.3 22.4 72 71 A H H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.939 113.4 42.7 -63.3 -47.5 29.4 8.8 25.9 73 72 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 6,-0.3 0.877 113.0 54.6 -65.6 -37.2 30.2 5.1 26.2 74 73 A G H X>S+ 0 0 0 -4,-2.5 5,-2.8 -5,-0.2 4,-0.5 0.902 112.8 43.1 -62.3 -39.5 31.4 5.1 22.5 75 74 A R H <5S+ 0 0 50 -4,-2.4 3,-0.3 3,-0.2 -2,-0.2 0.928 119.2 40.6 -72.5 -47.7 33.8 8.0 23.4 76 75 A T H <5S+ 0 0 44 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.787 120.9 41.8 -75.6 -27.5 35.1 6.7 26.7 77 76 A L H <5S- 0 0 43 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.426 112.8-111.3 -99.2 -0.7 35.4 3.0 25.6 78 77 A G T <5S+ 0 0 44 -4,-0.5 -3,-0.2 -3,-0.3 3,-0.1 0.891 76.8 127.7 74.4 41.0 36.9 3.7 22.2 79 78 A L < + 0 0 8 -5,-2.8 72,-2.2 -6,-0.3 73,-0.3 -0.290 43.5 94.1-119.6 44.0 33.9 2.5 20.0 80 79 A Y S S- 0 0 21 1,-0.5 -1,-0.1 -6,-0.3 10,-0.1 -0.131 96.2 -82.3-129.2 38.0 33.7 5.7 17.9 81 80 A G - 0 0 17 68,-0.3 -1,-0.5 -3,-0.1 3,-0.1 -0.024 43.3 -90.2 83.7 166.5 35.7 5.0 14.8 82 81 A K S S+ 0 0 130 -3,-0.1 2,-0.3 66,-0.1 -1,-0.1 0.678 102.3 3.7 -90.9 -19.1 39.5 5.3 14.3 83 82 A D S > S- 0 0 70 -3,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.877 89.0 -82.7-151.5-179.2 39.4 8.9 13.2 84 83 A Q H > S+ 0 0 99 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.834 123.4 56.5 -61.8 -35.7 37.1 11.9 12.6 85 84 A Q H > S+ 0 0 104 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.933 111.8 42.1 -62.7 -44.9 36.0 10.7 9.2 86 85 A E H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.872 110.5 57.1 -69.6 -37.0 34.8 7.3 10.7 87 86 A A H X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.895 106.5 49.8 -60.5 -40.8 33.3 9.1 13.8 88 87 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.887 112.2 47.4 -65.3 -39.0 31.1 11.1 11.4 89 88 A L H X S+ 0 0 46 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.860 108.8 54.0 -70.4 -34.6 30.0 8.0 9.6 90 89 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.910 110.4 48.3 -63.8 -40.8 29.3 6.2 12.9 91 90 A D H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.903 108.6 53.3 -63.6 -44.6 27.1 9.2 13.7 92 91 A M H X S+ 0 0 9 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.860 110.4 47.2 -61.3 -36.9 25.3 9.1 10.4 93 92 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.938 111.7 50.4 -70.3 -45.7 24.5 5.4 10.8 94 93 A N H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.888 108.3 51.6 -60.0 -40.9 23.2 5.9 14.4 95 94 A D H X S+ 0 0 15 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.856 109.7 51.1 -63.6 -35.7 20.9 8.8 13.3 96 95 A G H X S+ 0 0 4 -4,-1.3 4,-1.9 -5,-0.2 -2,-0.2 0.919 110.5 48.4 -66.3 -44.0 19.5 6.5 10.6 97 96 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.934 110.8 51.2 -60.3 -46.4 18.9 3.8 13.2 98 97 A E H X S+ 0 0 31 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.870 106.4 55.2 -60.4 -38.2 17.2 6.3 15.5 99 98 A D H X S+ 0 0 59 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.919 112.6 41.3 -62.5 -45.1 14.9 7.5 12.7 100 99 A L H X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.865 110.8 58.0 -71.7 -33.2 13.6 4.0 12.0 101 100 A R H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.914 103.9 52.9 -62.1 -39.4 13.4 3.3 15.8 102 101 A C H X S+ 0 0 60 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.876 109.3 48.1 -62.8 -39.0 11.1 6.3 16.2 103 102 A K H X S+ 0 0 102 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.894 111.9 50.4 -67.1 -40.8 8.8 4.9 13.4 104 103 A Y H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.914 111.5 47.6 -61.9 -46.1 8.8 1.5 15.1 105 104 A I H X S+ 0 0 46 -4,-2.7 4,-2.5 2,-0.2 5,-0.4 0.883 110.1 52.8 -63.8 -38.8 8.0 2.9 18.5 106 105 A S H X>S+ 0 0 56 -4,-2.0 4,-2.9 -5,-0.2 5,-1.0 0.931 111.5 47.0 -62.6 -45.4 5.2 5.0 16.9 107 106 A L H X5S+ 0 0 6 -4,-2.4 4,-0.7 3,-0.2 -2,-0.2 0.984 113.3 47.8 -57.8 -59.3 3.8 1.8 15.4 108 107 A I H <5S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.847 127.4 23.6 -51.1 -45.4 4.0 -0.2 18.6 109 108 A Y H <5S+ 0 0 110 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.755 128.9 39.6 -97.6 -26.2 2.4 2.4 20.9 110 109 A T H <5S- 0 0 108 -4,-2.9 -3,-0.2 -5,-0.4 -2,-0.1 0.941 133.6 -9.1 -90.6 -55.3 0.3 4.5 18.5 111 110 A N X< + 0 0 65 -5,-1.0 4,-2.0 -4,-0.7 5,-0.2 -0.376 66.3 151.4-148.4 67.4 -1.3 2.2 16.0 112 111 A Y H > S+ 0 0 37 -4,-0.3 4,-1.2 2,-0.2 -4,-0.1 0.942 79.0 44.5 -60.5 -52.5 -0.1 -1.4 16.1 113 112 A E H 4 S+ 0 0 136 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.935 121.5 35.5 -59.1 -54.3 -3.3 -3.1 14.9 114 113 A 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112.8 52.7 -66.4 -40.5 22.5 -7.6 7.0 178 177 A S H X S+ 0 0 46 -4,-2.7 4,-1.8 -7,-0.4 -1,-0.2 0.912 112.6 43.0 -59.5 -46.6 21.6 -11.3 7.6 179 178 A A H X S+ 0 0 50 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.837 111.9 55.9 -67.1 -35.2 25.2 -12.4 7.8 180 179 A Y H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.917 107.1 48.4 -63.3 -46.2 26.0 -9.3 9.9 181 180 A V H X S+ 0 0 18 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.924 113.5 46.9 -62.5 -45.4 23.3 -10.2 12.6 182 181 A G H X S+ 0 0 44 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.881 113.3 49.1 -64.2 -39.2 24.6 -13.8 12.8 183 182 A R H >< S+ 0 0 85 -4,-2.2 3,-0.6 2,-0.2 4,-0.2 0.920 115.6 41.0 -67.0 -47.1 28.2 -12.7 13.1 184 183 A L H >< S+ 0 0 3 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.877 110.4 58.5 -70.1 -36.8 27.6 -10.1 15.8 185 184 A S H 3< S+ 0 0 32 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.639 101.8 58.7 -64.7 -16.4 25.2 -12.3 17.7 186 185 A A T << S+ 0 0 59 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.480 70.5 120.5 -93.8 -6.7 28.0 -14.9 17.9 187 186 A R S <> S- 0 0 69 -3,-1.4 4,-3.4 -4,-0.2 5,-0.3 -0.459 73.1-119.3 -60.0 130.4 30.5 -12.7 19.8 188 187 A P H > S+ 0 0 110 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.805 106.3 35.6 -37.4 -62.8 31.2 -14.6 23.1 189 188 A K H > S+ 0 0 120 -165,-0.2 4,-2.3 2,-0.2 5,-0.1 0.888 120.0 49.1 -68.0 -38.6 30.1 -12.1 25.7 190 189 A L H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.914 110.9 50.5 -65.3 -45.3 27.2 -10.8 23.6 191 190 A K H X S+ 0 0 130 -4,-3.4 4,-1.1 2,-0.2 -2,-0.2 0.911 111.0 48.5 -58.6 -46.0 26.0 -14.3 22.9 192 191 A A H < S+ 0 0 66 -4,-2.0 4,-0.5 -5,-0.3 3,-0.3 0.920 114.1 47.3 -60.6 -44.5 26.1 -15.2 26.6 193 192 A F H >< S+ 0 0 16 -4,-2.3 3,-1.5 1,-0.2 6,-0.4 0.928 107.8 53.3 -64.9 -46.2 24.2 -12.0 27.4 194 193 A L H 3< S+ 0 0 29 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.727 111.7 48.0 -63.8 -20.4 21.5 -12.4 24.7 195 194 A A T 3< S+ 0 0 75 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.498 92.8 105.3 -97.0 -4.8 20.8 -15.9 26.1 196 195 A S S X> S- 0 0 24 -3,-1.5 4,-2.8 -4,-0.5 3,-1.1 -0.367 79.0-120.8 -79.5 152.9 20.6 -14.7 29.8 197 196 A P H 3> S+ 0 0 92 0, 0.0 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3 S- 0 0 60 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.302 110.4-111.4-104.4 9.4 2.6 -2.4 26.2 208 207 A G S < S+ 0 0 62 -3,-0.8 2,-0.2 1,-0.3 -2,-0.1 0.340 78.2 123.9 81.5 -8.3 3.2 -6.1 25.5 209 208 A K 0 0 60 1,-0.1 -4,-0.4 -101,-0.1 -1,-0.3 -0.557 360.0 360.0 -87.6 152.2 3.2 -5.6 21.7 210 209 A Q 0 0 100 -2,-0.2 -1,-0.1 -3,-0.1 -102,-0.1 0.256 360.0 360.0-167.9 360.0 6.1 -6.7 19.5 211 !* 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 0.0 212 2 B P 0 0 116 0, 0.0 56,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 103.4 35.6 22.7 1.1 213 3 B Y E +dE 238 267B 30 24,-0.6 26,-2.3 54,-0.2 2,-0.4 -0.769 360.0 171.8 -98.4 137.4 32.1 22.9 2.4 214 4 B T E -dE 239 266B 25 52,-1.7 52,-2.2 -2,-0.4 2,-0.5 -0.988 12.5-163.7-140.6 125.3 29.0 22.5 0.3 215 5 B V E -dE 240 265B 1 24,-2.6 26,-2.7 -2,-0.4 2,-0.6 -0.963 4.6-161.0-114.1 127.8 25.5 22.3 1.7 216 6 B V E +dE 241 264B 14 48,-2.9 48,-1.7 -2,-0.5 2,-0.3 -0.943 34.3 130.9-106.8 118.0 22.7 20.9 -0.5 217 7 B Y E -d 242 0B 22 24,-1.9 26,-2.3 -2,-0.6 -2,-0.0 -0.972 57.6 -83.7-159.7 170.0 19.2 21.8 0.6 218 8 B F - 0 0 56 -2,-0.3 2,-2.2 24,-0.2 26,-0.2 -0.299 59.4 -92.7 -73.0 159.0 15.8 23.2 -0.3 219 9 B P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.254 96.3 94.7 -74.5 56.5 15.5 27.0 -0.3 220 10 B V S S- 0 0 13 -2,-2.2 193,-0.2 191,-0.2 194,-0.1 -0.870 77.2-126.3-134.8 165.9 14.3 27.2 3.4 221 11 B R >> + 0 0 37 191,-2.2 3,-2.2 -2,-0.3 4,-0.9 0.958 69.1 122.4 -76.6 -57.3 16.1 27.7 6.7 222 12 B G G >4 S- 0 0 14 191,-2.6 3,-1.0 1,-0.3 4,-0.3 0.087 86.1 -8.7 37.0-132.7 14.7 24.5 8.2 223 13 B R G 34 S+ 0 0 66 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.456 134.2 60.8 -74.2 0.1 17.2 22.0 9.5 224 14 B C G <> S+ 0 0 0 -3,-2.2 4,-2.1 2,-0.1 -1,-0.2 0.555 77.2 87.5-102.5 -9.3 20.1 23.9 7.9 225 15 B A H S+ 0 0 3 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.902 112.0 46.8 -63.8 -43.6 21.8 26.1 12.8 227 17 B L H > S+ 0 0 2 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.857 112.0 52.0 -69.6 -30.2 24.7 24.7 10.8 228 18 B R H X S+ 0 0 14 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.896 109.5 49.6 -69.3 -39.2 24.8 27.8 8.6 229 19 B M H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.898 111.3 50.8 -63.8 -39.1 24.9 30.0 11.8 230 20 B L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.955 111.9 45.0 -61.6 -52.9 27.7 27.8 13.0 231 21 B L H <>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 -2,-0.2 0.909 115.7 47.8 -59.2 -45.1 29.8 28.2 9.8 232 22 B A H ><5S+ 0 0 16 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.953 112.7 46.6 -61.6 -52.4 29.1 31.9 9.6 233 23 B D H 3<5S+ 0 0 12 -4,-2.7 165,-0.2 1,-0.3 -1,-0.2 0.808 111.8 52.3 -62.2 -30.4 30.0 32.7 13.2 234 24 B Q T 3<5S- 0 0 51 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.410 115.1-116.2 -86.8 3.7 33.2 30.5 12.9 235 25 B G T < 5 + 0 0 45 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.748 63.2 148.8 70.4 25.8 34.3 32.5 9.8 236 26 B Q < - 0 0 73 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.638 40.8-134.5 -94.5 151.4 34.1 29.5 7.5 237 27 B S + 0 0 103 -2,-0.2 -24,-0.6 2,-0.0 2,-0.3 -0.783 28.9 169.5-101.8 145.5 33.2 29.7 3.8 238 28 B W E -d 213 0B 50 -2,-0.3 2,-0.4 -26,-0.1 -24,-0.2 -0.971 29.5-124.1-151.1 161.8 30.8 27.3 2.2 239 29 B K E -d 214 0B 106 -26,-2.3 -24,-2.6 -2,-0.3 2,-0.5 -0.916 20.3-144.0-111.8 135.3 28.9 26.8 -1.1 240 30 B E E -d 215 0B 49 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.2 -0.876 8.7-166.1-101.3 130.7 25.1 26.5 -1.2 241 31 B E E -d 216 0B 95 -26,-2.7 -24,-1.9 -2,-0.5 2,-0.3 -0.949 17.4-148.0-116.1 104.7 23.5 24.2 -3.8 242 32 B V E -d 217 0B 91 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.2 -0.596 6.2-157.5 -79.3 131.8 19.8 25.0 -3.9 243 33 B V - 0 0 8 -26,-2.3 2,-0.1 -2,-0.3 -2,-0.0 -0.947 10.9-152.1-111.7 114.0 17.4 22.1 -4.7 244 34 B T > - 0 0 41 -2,-0.6 4,-2.5 -26,-0.2 5,-0.2 -0.483 28.3-112.1 -82.5 155.2 14.1 23.3 -6.1 245 35 B V H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.819 120.4 56.7 -54.9 -31.1 10.9 21.2 -5.5 246 36 B E H > S+ 0 0 136 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.985 108.0 44.4 -63.5 -58.4 11.1 20.6 -9.3 247 37 B T H 4 S+ 0 0 67 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.853 114.9 50.0 -53.7 -41.4 14.6 19.1 -9.1 248 38 B W H >< S+ 0 0 42 -4,-2.5 3,-1.5 1,-0.2 6,-0.4 0.927 107.6 51.9 -65.8 -46.4 13.6 17.0 -6.1 249 39 B Q H 3< S+ 0 0 154 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.578 92.0 77.7 -68.4 -9.1 10.4 15.6 -7.6 250 40 B E T 3< S- 0 0 126 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.824 95.4-141.8 -68.1 -31.0 12.5 14.6 -10.6 251 41 B G S <> S+ 0 0 31 -3,-1.5 4,-2.3 -4,-0.5 5,-0.1 -0.058 73.5 94.9 100.2 -34.4 13.7 11.7 -8.5 252 42 B S H > S+ 0 0 64 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.892 88.3 44.8 -61.6 -45.5 17.4 11.2 -9.3 253 43 B L H >> S+ 0 0 29 -6,-0.4 4,-1.0 2,-0.2 3,-0.8 0.943 113.5 51.5 -63.8 -48.2 18.9 13.3 -6.5 254 44 B K H >4 S+ 0 0 93 -6,-0.4 3,-1.1 1,-0.3 6,-0.3 0.920 107.2 53.2 -52.3 -49.3 16.5 11.7 -3.9 255 45 B A H 3< S+ 0 0 90 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.738 108.3 50.5 -61.4 -25.6 17.5 8.2 -5.1 256 46 B S H << S+ 0 0 70 -4,-1.0 2,-0.4 -3,-0.8 -1,-0.3 0.621 88.1 97.2 -89.0 -12.8 21.2 9.0 -4.5 257 47 B C S X< S- 0 0 6 -3,-1.1 3,-1.8 -4,-1.0 5,-0.1 -0.634 81.3-127.4 -77.7 129.4 20.7 10.4 -1.0 258 48 B L T 3 S+ 0 0 34 -2,-0.4 -1,-0.1 1,-0.3 -126,-0.1 0.861 107.3 19.0 -42.7 -53.5 21.4 7.7 1.6 259 49 B Y T 3 S- 0 0 44 2,-0.3 -1,-0.3 -130,-0.1 3,-0.1 0.108 115.5-104.8-107.6 20.6 18.1 8.0 3.4 260 50 B G S < S+ 0 0 11 -3,-1.8 2,-0.3 -6,-0.3 -2,-0.1 0.728 87.8 100.5 64.6 26.9 16.3 9.7 0.5 261 51 B Q - 0 0 114 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.934 61.1 -96.0-141.8 160.8 16.5 13.1 2.3 262 52 B L S S+ 0 0 20 -2,-0.3 2,-0.1 -3,-0.1 13,-0.1 -0.726 72.9 79.3-108.3 163.4 18.3 16.4 2.4 263 53 B P - 0 0 5 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.416 55.2-178.3 -69.7 157.8 20.5 18.1 3.7 264 54 B K E -EF 216 273B 38 -48,-1.7 -48,-2.9 9,-0.2 2,-0.4 -0.961 6.8-166.3-123.4 139.7 23.5 16.6 2.1 265 55 B F E -EF 215 272B 1 7,-2.6 7,-3.0 -2,-0.4 2,-0.4 -0.986 8.8-161.0-134.2 142.7 26.8 18.0 3.1 266 56 B Q E +EF 214 271B 59 -52,-2.2 -52,-1.7 -2,-0.4 2,-0.4 -0.986 11.0 179.4-127.9 134.5 30.3 17.7 1.6 267 57 B D E > S-EF 213 270B 37 3,-2.5 3,-2.1 -2,-0.4 2,-0.4 -0.904 78.0 -52.5-128.6 94.9 33.6 18.4 3.4 268 58 B G T 3 S- 0 0 41 -56,-1.9 -54,-0.0 -2,-0.4 0, 0.0 -0.594 122.7 -23.7 69.8-123.3 36.2 17.6 0.7 269 59 B D T 3 S+ 0 0 145 -2,-0.4 2,-0.6 -3,-0.1 -1,-0.3 0.273 113.9 107.7-103.7 10.6 35.2 14.2 -0.5 270 60 B L E < -F 267 0B 15 -3,-2.1 -3,-2.5 2,-0.0 2,-0.5 -0.807 54.6-163.2 -88.7 120.0 33.4 13.2 2.7 271 61 B T E -F 266 0B 49 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.936 10.0-176.1-109.4 125.9 29.7 13.2 2.0 272 62 B L E -F 265 0B 0 -7,-3.0 -7,-2.6 -2,-0.5 2,-0.3 -0.840 11.9-168.4-121.3 157.5 27.3 13.4 5.0 273 63 B Y E +F 264 0B 24 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.886 52.4 62.7-135.6 163.0 23.5 13.2 5.5 274 64 B Q S >> S- 0 0 28 -11,-0.8 4,-2.1 -2,-0.3 3,-0.6 0.737 72.6-122.1 83.0 113.5 21.5 14.0 8.7 275 65 B S H 3> S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.861 110.6 48.4 -53.2 -42.0 21.5 17.5 10.1 276 66 B N H 3> S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.806 108.0 54.6 -72.3 -26.8 22.8 16.4 13.6 277 67 B T H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.926 110.1 48.2 -67.7 -42.8 25.6 14.3 12.1 278 68 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.920 111.5 49.5 -62.1 -45.8 26.7 17.4 10.2 279 69 B L H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.924 112.8 46.9 -60.4 -45.1 26.5 19.5 13.4 280 70 B R H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.879 110.7 52.6 -65.9 -37.4 28.6 16.9 15.3 281 71 B H H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.937 113.4 42.7 -62.9 -46.9 31.1 16.6 12.5 282 72 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 6,-0.3 0.873 112.8 54.6 -66.4 -36.9 31.6 20.4 12.5 283 73 B G H X>S+ 0 0 0 -4,-2.5 5,-2.9 -5,-0.2 4,-0.5 0.906 112.8 43.2 -62.2 -40.5 31.6 20.4 16.3 284 74 B R H <5S+ 0 0 50 -4,-2.5 3,-0.3 3,-0.2 -2,-0.2 0.922 119.1 40.5 -71.4 -47.5 34.4 17.8 16.3 285 75 B T H <5S+ 0 0 42 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.786 121.1 41.6 -76.3 -27.4 36.6 19.3 13.5 286 76 B L H <5S- 0 0 44 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.418 112.9-111.4 -99.2 -1.1 36.2 22.9 14.6 287 77 B G T <5S+ 0 0 44 -4,-0.5 -3,-0.2 -3,-0.3 3,-0.1 0.895 76.4 128.1 74.6 41.5 36.5 22.3 18.3 288 78 B L < + 0 0 7 -5,-2.9 72,-2.2 -6,-0.3 73,-0.3 -0.289 43.3 94.2-119.9 44.2 33.0 23.2 19.4 289 79 B Y S S- 0 0 21 1,-0.5 -1,-0.1 -6,-0.3 10,-0.1 -0.129 96.0 -82.5-129.4 37.8 32.3 20.0 21.4 290 80 B G - 0 0 18 68,-0.3 -1,-0.5 -3,-0.1 3,-0.1 -0.019 43.5 -89.8 84.0 166.9 33.2 20.8 25.0 291 81 B K S S+ 0 0 132 -3,-0.1 2,-0.3 66,-0.1 -1,-0.1 0.678 102.3 3.5 -90.7 -18.3 36.6 20.9 26.6 292 82 B D S > S- 0 0 70 -3,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.880 88.9 -82.7-152.3-179.1 36.6 17.2 27.7 293 83 B Q H > S+ 0 0 94 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.832 123.4 56.5 -62.6 -35.4 34.5 14.0 27.6 294 84 B Q H > S+ 0 0 102 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.934 111.9 41.9 -62.7 -44.4 32.3 15.1 30.4 295 85 B E H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.872 110.7 57.2 -70.0 -37.5 31.3 18.3 28.6 296 86 B A H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.895 106.5 49.8 -59.8 -40.4 31.0 16.5 25.3 297 87 B A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.882 112.1 47.3 -66.2 -38.4 28.4 14.2 26.8 298 88 B L H X S+ 0 0 47 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.866 108.7 54.2 -71.2 -35.3 26.5 17.2 28.2 299 89 B V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.915 110.4 48.2 -62.8 -41.3 26.7 18.9 24.8 300 90 B D H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.901 108.6 53.4 -63.7 -44.4 25.1 15.8 23.3 301 91 B M H X S+ 0 0 9 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.864 110.4 47.0 -61.1 -37.8 22.4 15.7 26.0 302 92 B V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.941 111.9 50.3 -69.4 -46.6 21.4 19.3 25.2 303 93 B N H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.893 108.4 51.8 -58.9 -41.4 21.4 18.7 21.4 304 94 B D H X S+ 0 0 15 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.865 109.8 50.7 -63.5 -36.4 19.2 15.6 21.8 305 95 B G H X S+ 0 0 4 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.911 110.5 48.5 -66.3 -42.7 16.7 17.6 23.8 306 96 B V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.935 110.9 51.1 -60.7 -45.9 16.7 20.4 21.2 307 97 B E H X S+ 0 0 29 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.869 106.4 55.1 -61.1 -37.9 16.1 17.7 18.5 308 98 B D H X S+ 0 0 60 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.922 112.6 41.4 -62.6 -45.2 13.2 16.2 20.4 309 99 B L H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.870 110.8 58.0 -71.3 -34.3 11.4 19.6 20.6 310 100 B R H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.915 103.8 53.0 -60.8 -40.2 12.3 20.4 17.0 311 101 B C H X S+ 0 0 58 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.873 109.3 48.0 -62.5 -38.2 10.5 17.2 15.9 312 102 B K H X S+ 0 0 101 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.889 111.9 50.4 -67.9 -40.3 7.4 18.3 17.8 313 103 B Y H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.914 111.4 47.6 -62.2 -46.1 7.6 21.7 16.2 314 104 B I H X S+ 0 0 45 -4,-2.7 4,-2.5 2,-0.2 5,-0.4 0.883 110.1 52.9 -63.8 -38.6 8.0 20.2 12.7 315 105 B S H X>S+ 0 0 56 -4,-2.0 4,-2.9 -5,-0.2 5,-1.0 0.932 111.4 47.0 -63.0 -45.3 5.0 17.9 13.3 316 106 B L H X5S+ 0 0 6 -4,-2.3 4,-0.7 3,-0.2 -2,-0.2 0.983 113.4 47.8 -57.9 -58.6 2.9 20.9 14.3 317 107 B I H <5S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.851 127.5 23.5 -51.9 -45.2 4.0 23.0 11.3 318 108 B Y H <5S+ 0 0 108 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.756 128.9 39.8 -97.9 -26.6 3.4 20.3 8.7 319 109 B T H <5S- 0 0 107 -4,-2.9 -3,-0.2 -5,-0.4 -2,-0.1 0.940 133.6 -9.3 -90.2 -54.9 0.9 17.9 10.3 320 110 B N X< + 0 0 65 -5,-1.0 4,-2.0 -4,-0.7 5,-0.2 -0.371 66.4 151.6-148.7 67.0 -1.6 20.1 12.1 321 111 B Y H > S+ 0 0 38 -4,-0.3 4,-1.2 2,-0.2 -4,-0.1 0.940 79.0 44.4 -60.2 -52.3 -0.8 23.7 12.3 322 112 B E H 4 S+ 0 0 137 2,-0.2 4,-0.3 1,-0.1 -1,-0.2 0.934 121.4 35.6 -59.3 -54.0 -4.3 25.1 12.5 323 113 B A H 4 S+ 0 0 82 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.915 124.5 36.2 -71.0 -47.8 -5.8 22.6 15.0 324 114 B G H X S+ 0 0 10 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.444 85.7 94.0 -91.8 1.0 -2.9 22.0 17.4 325 115 B K H X S+ 0 0 49 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.855 86.8 51.3 -60.9 -36.0 -1.2 25.4 17.6 326 116 B D H > S+ 0 0 113 -3,-0.4 4,-1.3 -4,-0.3 -1,-0.2 0.934 112.7 43.1 -68.4 -46.3 -3.1 26.4 20.7 327 117 B D H > S+ 0 0 104 -4,-0.3 4,-2.0 1,-0.2 3,-0.2 0.916 113.4 54.6 -63.5 -44.3 -2.3 23.2 22.7 328 118 B Y H X S+ 0 0 32 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.922 108.1 46.9 -54.6 -51.2 1.3 23.4 21.5 329 119 B V H < S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.775 110.6 54.4 -65.2 -26.5 1.8 27.0 22.7 330 120 B K H < S+ 0 0 152 -4,-1.3 4,-0.3 -3,-0.2 -1,-0.2 0.856 111.2 44.1 -73.5 -37.7 0.2 26.0 26.1 331 121 B A H >X S+ 0 0 54 -4,-2.0 4,-1.1 -3,-0.2 3,-0.5 0.618 91.6 91.3 -81.3 -14.5 2.7 23.1 26.6 332 122 B L H >X S+ 0 0 3 -4,-1.1 4,-2.1 1,-0.2 3,-0.9 0.875 77.4 56.5 -50.0 -51.2 5.7 25.2 25.5 333 123 B P H 3> S+ 0 0 59 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.905 106.9 51.9 -51.1 -41.8 6.7 26.5 28.9 334 124 B G H <4 S+ 0 0 46 -3,-0.5 -2,-0.2 -4,-0.3 -3,-0.1 0.821 110.8 48.1 -63.6 -30.5 7.0 23.0 30.1 335 125 B Q H << S+ 0 0 64 -4,-1.1 4,-0.3 -3,-0.9 -1,-0.2 0.760 113.5 45.9 -80.5 -28.7 9.3 22.2 27.1 336 126 B L H >X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 3,-0.8 0.725 91.8 82.1 -87.0 -23.6 11.5 25.2 27.5 337 127 B K H 3X S+ 0 0 128 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.853 83.9 59.3 -48.6 -47.5 12.0 24.8 31.3 338 128 B P H 3> S+ 0 0 16 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.876 106.4 47.7 -52.9 -39.7 14.8 22.2 31.0 339 129 B F H <> S+ 0 0 2 -3,-0.8 4,-2.1 -4,-0.3 -2,-0.2 0.854 110.0 51.7 -71.6 -33.8 17.0 24.5 29.0 340 130 B E H X S+ 0 0 26 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.898 112.2 48.4 -65.7 -40.7 16.4 27.4 31.5 341 131 B T H X S+ 0 0 57 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.907 109.3 50.8 -66.5 -44.0 17.5 24.9 34.3 342 132 B L H < S+ 0 0 20 -4,-2.4 4,-0.4 1,-0.2 3,-0.3 0.927 111.8 48.9 -58.9 -45.9 20.6 23.8 32.4 343 133 B L H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 6,-1.3 0.914 107.0 54.5 -60.1 -46.7 21.6 27.4 31.9 344 134 B S H 3X S+ 0 0 60 -4,-2.3 4,-0.6 1,-0.3 -1,-0.2 0.803 106.7 53.1 -60.9 -27.1 21.0 28.2 35.6 345 135 B Q T 3< S+ 0 0 140 -4,-1.4 2,-0.7 -3,-0.3 -1,-0.3 0.555 96.5 74.6 -84.7 -8.1 23.4 25.4 36.6 346 136 B N T X>>S- 0 0 26 -3,-1.6 3,-2.1 -4,-0.4 5,-0.5 -0.859 130.1 -47.9-111.2 99.4 26.2 26.7 34.4 347 137 B Q G >45S- 0 0 108 -2,-0.7 3,-1.1 1,-0.3 -1,-0.1 0.826 108.8 -60.5 45.6 38.5 27.9 29.8 35.9 348 138 B G G 3<5S- 0 0 46 -4,-0.6 -1,-0.3 1,-0.2 -4,-0.2 0.726 91.2 -65.6 66.1 24.8 24.4 31.2 36.5 349 139 B G G <45S+ 0 0 3 -3,-2.1 -1,-0.2 -6,-1.3 -2,-0.2 0.671 104.4 124.3 72.8 18.5 23.4 31.3 32.8 350 140 B K T <<5S+ 0 0 160 -3,-1.1 -3,-0.1 -4,-0.5 -2,-0.1 0.576 72.9 20.4 -88.0 -14.0 26.1 33.9 32.0 351 141 B T S S- 0 0 12 3,-0.3 3,-0.5 -8,-0.0 -1,-0.2 -0.990 122.6 -28.9-138.0 124.6 27.6 23.9 28.4 355 145 B G T 3 S- 0 0 8 -2,-0.4 -3,-0.9 1,-0.2 -4,-0.1 -0.194 90.4 -63.7 70.3-161.6 30.9 25.1 29.8 356 146 B D T 3 S+ 0 0 103 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.247 111.3 68.8-111.8 13.4 32.5 28.4 29.1 357 147 B Q S < S- 0 0 67 -3,-0.5 -3,-0.3 -6,-0.0 2,-0.1 -0.927 89.9 -99.5-128.0 150.9 33.1 28.0 25.3 358 148 B I - 0 0 14 -2,-0.3 -68,-0.3 -6,-0.1 2,-0.3 -0.412 40.5-170.8 -70.4 146.0 30.5 27.9 22.5 359 149 B S >> - 0 0 1 -70,-0.1 3,-1.0 -2,-0.1 4,-1.0 -0.799 40.4 -98.9-129.5 172.6 29.5 24.4 21.2 360 150 B F H 3> S+ 0 0 0 -72,-2.2 4,-1.7 -2,-0.3 5,-0.1 0.808 120.2 63.7 -65.9 -26.3 27.4 23.2 18.3 361 151 B A H 3> S+ 0 0 0 -73,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.797 94.5 60.8 -66.2 -28.8 24.5 22.7 20.7 362 152 B D H <> S+ 0 0 0 -3,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.931 105.9 45.7 -64.1 -45.9 24.4 26.5 21.3 363 153 B Y H X S+ 0 0 1 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.892 114.5 48.2 -65.4 -38.0 23.7 27.2 17.6 364 154 B N H X S+ 0 0 5 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.924 114.2 45.5 -68.7 -42.8 21.1 24.5 17.5 365 155 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.902 110.6 54.5 -66.4 -41.4 19.4 25.7 20.7 366 156 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.942 109.0 48.2 -58.2 -47.2 19.6 29.4 19.5 367 157 B D H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.933 110.5 51.2 -59.3 -46.0 17.8 28.5 16.2 368 158 B L H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.906 112.4 46.3 -59.1 -40.9 15.1 26.5 18.1 369 159 B L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.908 110.9 52.1 -68.7 -41.1 14.4 29.5 20.4 370 160 B L H X S+ 0 0 34 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.890 110.2 47.7 -64.4 -39.5 14.4 32.0 17.6 371 161 B I H X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.772 109.4 54.0 -75.1 -20.7 11.8 30.0 15.6 372 162 B H H X S+ 0 0 0 -4,-1.2 4,-3.4 -5,-0.2 -1,-0.2 0.805 102.3 57.1 -80.6 -27.7 9.6 29.6 18.6 373 163 B E H < S+ 0 0 72 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.764 108.6 48.1 -69.5 -26.0 9.6 33.4 19.2 374 164 B V H < S+ 0 0 61 -4,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.873 116.2 42.9 -78.0 -39.9 8.1 33.7 15.7 375 165 B L H < S+ 0 0 7 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.2 0.935 135.2 15.6 -68.9 -48.5 5.5 31.0 16.4 376 166 B A S >< S- 0 0 11 -4,-3.4 3,-1.9 -5,-0.1 -1,-0.3 -0.729 84.2-146.8-131.5 82.5 4.6 32.3 19.9 377 167 B P T 3 S+ 0 0 107 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.186 84.4 18.9 -49.9 131.8 5.9 35.9 20.4 378 168 B G T > S+ 0 0 29 -5,-0.1 3,-1.6 1,-0.0 4,-0.4 0.497 79.2 129.0 85.1 2.7 6.9 36.4 24.0 379 169 B C T < S+ 0 0 24 -3,-1.9 3,-0.4 1,-0.3 -6,-0.1 0.763 74.8 52.8 -61.9 -23.9 7.2 32.7 25.0 380 170 B L T > S+ 0 0 0 1,-0.2 3,-1.6 -4,-0.2 7,-0.4 0.465 81.2 92.3 -89.6 -3.8 10.7 33.5 26.4 381 171 B D T < S+ 0 0 130 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.837 85.1 52.5 -58.4 -35.9 9.4 36.4 28.6 382 172 B A T 3 S+ 0 0 79 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.527 101.6 69.7 -77.4 -6.2 8.9 33.9 31.5 383 173 B F <> + 0 0 11 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 -0.765 57.0 178.5-119.0 86.6 12.5 32.7 31.1 384 174 B P H > S+ 0 0 88 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.846 82.9 46.9 -53.2 -41.2 15.1 35.3 32.2 385 175 B L H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.917 114.1 45.5 -72.1 -42.1 18.1 33.2 31.5 386 176 B L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.903 112.8 52.9 -66.9 -40.7 17.0 32.0 28.0 387 177 B S H X S+ 0 0 42 -4,-2.7 4,-1.8 -7,-0.4 -2,-0.2 0.915 112.6 42.9 -59.3 -46.4 16.0 35.5 27.1 388 178 B A H X S+ 0 0 49 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.844 111.8 55.9 -67.2 -36.8 19.4 36.9 28.0 389 179 B Y H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.918 107.1 48.5 -61.5 -46.0 21.1 34.0 26.3 390 180 B V H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.931 113.3 46.9 -62.9 -45.5 19.4 34.7 23.0 391 181 B G H X S+ 0 0 46 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.884 113.3 49.1 -63.8 -39.4 20.3 38.4 23.1 392 182 B R H >< S+ 0 0 82 -4,-2.3 3,-0.6 2,-0.2 4,-0.2 0.921 115.6 41.0 -67.1 -46.8 23.9 37.6 24.0 393 183 B L H >< S+ 0 0 2 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.875 110.4 58.5 -70.1 -37.2 24.4 35.0 21.3 394 184 B S H 3< S+ 0 0 29 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.637 101.8 58.7 -64.3 -16.2 22.5 37.1 18.7 395 185 B A T << S+ 0 0 60 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.484 70.5 120.4 -94.2 -6.5 25.0 39.9 19.3 396 186 B R S <> S- 0 0 71 -3,-1.4 4,-3.3 -4,-0.2 5,-0.3 -0.457 73.1-119.2 -60.0 130.8 28.2 38.0 18.4 397 187 B P H > S+ 0 0 111 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.809 106.3 35.6 -37.5 -64.1 29.7 40.0 15.4 398 188 B K H > S+ 0 0 117 -165,-0.2 4,-2.3 2,-0.2 5,-0.1 0.887 120.0 49.2 -66.5 -38.8 29.7 37.4 12.6 399 189 B L H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.910 110.6 50.8 -65.0 -45.4 26.4 35.9 13.7 400 190 B K H X S+ 0 0 129 -4,-3.3 4,-1.0 2,-0.2 -1,-0.2 0.888 111.0 48.4 -58.7 -43.5 24.7 39.3 14.0 401 191 B A H < S+ 0 0 64 -4,-1.9 4,-0.5 -5,-0.3 3,-0.4 0.921 114.2 47.3 -63.8 -44.8 25.9 40.1 10.5 402 192 B F H >< S+ 0 0 14 -4,-2.3 3,-1.4 1,-0.2 6,-0.4 0.925 107.9 53.1 -64.2 -46.2 24.7 36.8 9.2 403 193 B L H 3< S+ 0 0 29 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.724 111.7 48.0 -63.9 -20.6 21.2 36.9 10.8 404 194 B A T 3< S+ 0 0 77 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.489 92.8 105.6 -96.7 -3.9 20.6 40.3 9.2 405 195 B S S X> S- 0 0 23 -3,-1.4 4,-2.8 -4,-0.5 3,-1.0 -0.367 78.9-120.9 -80.5 152.8 21.8 39.2 5.7 406 196 B P H 3> S+ 0 0 92 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.845 112.0 66.0 -54.6 -38.2 19.5 38.6 2.7 407 197 B E H 34 S+ 0 0 98 2,-0.2 -4,-0.1 1,-0.1 -5,-0.1 0.826 117.2 23.9 -52.4 -39.1 20.8 35.0 2.6 408 198 B Y H X4 S+ 0 0 22 -3,-1.0 3,-1.6 -6,-0.4 -1,-0.1 0.894 124.6 47.9 -93.9 -58.5 19.2 34.4 5.9 409 199 B V H 3< S+ 0 0 70 -4,-2.8 -2,-0.2 -7,-0.3 -6,-0.1 0.830 108.4 53.3 -55.4 -40.3 16.3 36.9 6.2 410 200 B N T 3< S+ 0 0 124 -4,-2.0 -1,-0.3 -5,-0.3 -3,-0.1 0.329 90.6 89.4 -84.7 11.5 14.8 36.2 2.7 411 201 B L S < S- 0 0 44 -3,-1.6 -191,-0.2 -5,-0.1 2,-0.1 -0.863 81.3-122.5-104.1 134.6 14.6 32.5 3.2 412 202 B P - 0 0 64 0, 0.0 -191,-2.2 0, 0.0 -190,-0.3 -0.466 16.4-126.2 -73.4 157.4 11.3 31.2 4.7 413 203 B I S S+ 0 0 7 -193,-0.2 -191,-2.6 -192,-0.2 2,-0.2 0.948 88.6 20.1 -68.2 -47.0 11.6 29.2 7.9 414 204 B N S > S- 0 0 10 4,-0.4 3,-0.8 -193,-0.1 -1,-0.1 -0.757 77.2-116.0-121.4 166.3 9.6 26.2 6.6 415 205 B G T 3 S+ 0 0 54 -2,-0.2 -1,-0.0 1,-0.2 -2,-0.0 0.597 107.8 53.8 -78.0 -13.4 8.6 24.8 3.3 416 206 B N T 3 S- 0 0 59 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.311 110.3-111.4-104.5 9.5 4.8 25.2 3.6 417 207 B G S < S+ 0 0 64 -3,-0.8 2,-0.2 1,-0.3 -4,-0.1 0.329 78.2 124.0 81.4 -8.9 4.8 28.9 4.4 418 208 B K 0 0 60 1,-0.1 -4,-0.4 -101,-0.1 -1,-0.3 -0.554 360.0 360.0 -87.3 152.0 3.7 28.3 8.0 419 209 B Q 0 0 100 -2,-0.2 -1,-0.1 -3,-0.1 -102,-0.1 0.254 360.0 360.0-167.4 360.0 5.6 29.6 11.0