==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 14-JUL-00 1FB6 . COMPND 2 MOLECULE: THIOREDOXIN M; . SOURCE 2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA; . AUTHOR G.CAPITANI,Z.MARKOVIC-HOUSLEY,G.DELVAL,M.MORRIS, . 208 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 13.5 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 . 2 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 2 0 0 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 1 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 9 A V 0 0 63 0, 0.0 52,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 131.3 4.2 61.1 -9.0 2 10 A Q E -a 53 0A 102 50,-0.6 52,-1.5 1,-0.1 2,-0.2 -0.383 360.0-126.0 -67.4 138.9 4.9 59.1 -12.2 3 11 A D E -a 54 0A 90 50,-0.2 2,-0.4 -2,-0.1 52,-0.2 -0.572 23.2-160.8 -84.1 150.4 4.1 55.4 -12.2 4 12 A V + 0 0 5 50,-1.9 52,-0.4 -2,-0.2 2,-0.2 -0.977 12.9 172.4-131.6 144.7 6.8 52.9 -13.1 5 13 A N >> - 0 0 75 -2,-0.4 4,-1.6 50,-0.1 3,-0.7 -0.741 51.9 -72.9-138.1-171.7 6.4 49.3 -14.1 6 14 A D T 34 S+ 0 0 74 1,-0.2 4,-0.4 -2,-0.2 54,-0.1 0.820 127.9 49.7 -56.8 -33.5 8.3 46.3 -15.4 7 15 A S T 34 S+ 0 0 119 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.731 119.1 33.7 -81.6 -21.7 8.6 47.9 -18.9 8 16 A S T <> S+ 0 0 18 -3,-0.7 4,-3.0 2,-0.1 5,-0.4 0.457 91.4 95.7-110.8 -1.9 9.9 51.3 -17.7 9 17 A W H X>S+ 0 0 4 -4,-1.6 4,-2.6 1,-0.2 5,-1.4 0.925 84.2 46.9 -54.4 -55.8 12.0 50.2 -14.7 10 18 A K H 4>S+ 0 0 158 -4,-0.4 5,-1.1 3,-0.2 -1,-0.2 0.921 120.5 39.4 -53.9 -48.4 15.4 50.0 -16.4 11 19 A E H 45S+ 0 0 125 -4,-0.2 4,-0.5 3,-0.2 -2,-0.2 0.972 123.3 36.5 -67.1 -58.2 14.9 53.4 -18.1 12 20 A F H <5S+ 0 0 51 -4,-3.0 -3,-0.2 2,-0.1 -2,-0.2 0.875 133.8 18.8 -66.0 -42.2 13.3 55.4 -15.4 13 21 A V T ><5S+ 0 0 2 -4,-2.6 3,-0.9 -5,-0.4 68,-0.4 0.912 125.3 41.3 -97.4 -57.7 15.1 53.9 -12.4 14 22 A L T 3 - 0 0 0 -2,-0.2 3,-2.1 30,-0.2 6,-0.1 -0.944 34.9-110.1-164.2 146.0 -1.0 48.5 -3.6 27 35 A P T 3 S+ 0 0 68 0, 0.0 6,-0.1 0, 0.0 -1,-0.0 0.761 116.8 51.3 -49.7 -33.3 -4.8 49.3 -3.5 28 36 A W T 3 S+ 0 0 171 -3,-0.0 2,-0.8 4,-0.0 -3,-0.0 0.545 84.9 104.1 -84.8 -8.7 -5.4 46.9 -0.6 29 37 A a <> - 0 0 4 -3,-2.1 4,-0.6 1,-0.2 -3,-0.2 -0.660 49.1-172.0 -82.5 109.9 -2.6 48.3 1.5 30 38 A G H >> S+ 0 0 43 -2,-0.8 3,-1.4 1,-0.2 4,-0.6 0.953 82.9 48.2 -65.7 -54.8 -3.9 50.5 4.3 31 39 A P H >> S+ 0 0 65 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.819 100.4 70.5 -57.9 -28.0 -0.7 52.0 5.7 32 40 A a H >> S+ 0 0 6 1,-0.3 4,-1.3 2,-0.2 3,-0.7 0.821 90.3 59.7 -57.9 -33.3 0.3 52.9 2.2 33 41 A K H << S+ 0 0 129 -3,-1.4 -1,-0.3 -4,-0.6 -3,-0.1 0.822 98.9 59.3 -65.1 -30.7 -2.4 55.6 2.0 34 42 A L H << S+ 0 0 130 -3,-1.1 4,-0.3 -4,-0.6 -1,-0.2 0.713 109.9 39.8 -71.7 -24.4 -0.7 57.3 5.0 35 43 A I H S+ 0 0 81 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.909 110.8 51.1 -61.1 -41.1 0.8 62.4 0.7 38 46 A V H > S+ 0 0 33 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.859 108.9 51.5 -63.3 -38.0 4.4 62.5 2.0 39 47 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.916 110.5 46.8 -66.7 -46.1 5.7 61.0 -1.2 40 48 A D H X S+ 0 0 53 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.931 113.2 50.6 -61.9 -45.0 4.0 63.5 -3.4 41 49 A E H X S+ 0 0 75 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.909 111.6 45.7 -59.8 -46.8 5.2 66.4 -1.2 42 50 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.855 108.5 57.1 -67.1 -34.8 8.8 65.2 -1.3 43 51 A A H < S+ 0 0 24 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.940 111.5 42.9 -60.6 -45.8 8.7 64.7 -5.0 44 52 A K H >< S+ 0 0 146 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.944 113.4 51.6 -64.6 -49.7 7.6 68.3 -5.5 45 53 A E H 3< S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 116.4 39.1 -57.1 -39.1 10.1 69.7 -2.9 46 54 A Y T >X S+ 0 0 31 -4,-2.3 3,-2.4 -5,-0.1 4,-1.9 0.025 80.4 151.4-103.8 27.9 13.1 67.9 -4.5 47 55 A S T <4 S+ 0 0 89 -3,-1.5 4,-0.1 1,-0.3 -3,-0.1 -0.345 72.6 18.8 -59.0 134.1 12.1 68.4 -8.1 48 56 A G T 34 S+ 0 0 72 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.291 121.3 65.8 86.6 -10.5 15.3 68.5 -10.2 49 57 A K T <4 S+ 0 0 116 -3,-2.4 2,-0.3 1,-0.4 -2,-0.2 0.732 109.4 10.8-112.2 -34.3 17.3 66.8 -7.5 50 58 A I < - 0 0 14 -4,-1.9 -2,-0.5 -7,-0.2 2,-0.4 -0.932 68.1-126.3-140.1 162.0 15.8 63.3 -7.2 51 59 A A E - b 0 20A 17 -32,-2.5 -30,-2.6 -2,-0.3 2,-0.4 -0.943 24.1-163.1-112.3 134.6 13.4 61.3 -9.3 52 60 A V E + b 0 21A 16 -2,-0.4 -50,-0.6 -32,-0.2 2,-0.3 -0.958 13.6 166.9-121.7 136.0 10.4 59.8 -7.5 53 61 A Y E -ab 2 22A 33 -32,-2.0 -30,-2.6 -2,-0.4 2,-0.4 -0.945 23.7-140.5-140.3 162.1 8.1 56.9 -8.8 54 62 A K E -ab 3 23A 32 -52,-1.5 -50,-1.9 -2,-0.3 2,-0.5 -0.983 10.9-158.3-127.3 138.5 5.5 54.7 -7.4 55 63 A L E - b 0 24A 0 -32,-2.9 -30,-2.4 -2,-0.4 2,-0.8 -0.970 10.8-145.0-121.3 119.4 5.1 51.0 -8.2 56 64 A N E >> - b 0 25A 30 -2,-0.5 4,-1.5 -52,-0.4 3,-1.0 -0.739 7.8-155.3 -81.2 111.9 1.8 49.2 -7.8 57 65 A T T 34 S+ 0 0 25 -32,-2.8 -1,-0.2 -2,-0.8 -31,-0.2 0.766 89.6 67.4 -61.3 -23.7 2.8 45.7 -6.7 58 66 A D T 34 S+ 0 0 72 -33,-0.4 -1,-0.2 1,-0.2 -32,-0.1 0.882 112.9 28.3 -62.7 -38.6 -0.5 44.4 -8.0 59 67 A E T <4 S+ 0 0 146 -3,-1.0 -2,-0.2 1,-0.2 -53,-0.2 0.586 128.8 37.0-101.8 -12.8 0.5 45.2 -11.6 60 68 A A >X + 0 0 2 -4,-1.5 4,-0.9 -55,-0.1 3,-0.9 -0.382 60.3 147.4-136.3 59.5 4.3 44.9 -11.6 61 69 A P H 3> + 0 0 71 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.768 64.0 75.9 -65.0 -25.0 5.1 42.0 -9.3 62 70 A G H 3> S+ 0 0 41 1,-0.2 4,-1.8 2,-0.2 -2,-0.1 0.882 96.6 46.5 -53.8 -40.7 8.2 41.1 -11.4 63 71 A I H <> S+ 0 0 7 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.903 109.4 53.2 -70.0 -41.2 10.0 44.1 -9.9 64 72 A A H <>S+ 0 0 12 -4,-0.9 5,-3.0 1,-0.2 4,-0.3 0.889 110.4 49.3 -60.0 -38.5 9.0 43.2 -6.4 65 73 A T H ><5S+ 0 0 112 -4,-2.6 3,-0.7 3,-0.2 -1,-0.2 0.888 106.0 56.6 -68.0 -38.9 10.4 39.7 -7.0 66 74 A Q H 3<5S+ 0 0 118 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.911 117.1 33.1 -59.7 -44.9 13.7 41.0 -8.4 67 75 A Y T 3<5S- 0 0 27 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.318 111.5-117.7 -96.0 8.3 14.4 43.0 -5.2 68 76 A N T < 5 + 0 0 62 -3,-0.7 2,-0.7 -4,-0.3 -3,-0.2 0.907 48.3 172.1 56.9 48.0 12.8 40.5 -2.9 69 77 A I < + 0 0 18 -5,-3.0 -1,-0.2 -6,-0.2 3,-0.1 -0.801 8.2 162.8 -88.6 117.5 10.2 42.9 -1.7 70 78 A R + 0 0 133 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.500 57.1 39.6-115.2 -7.6 7.7 40.9 0.4 71 79 A S S S- 0 0 15 132,-0.0 -1,-0.2 133,-0.0 -47,-0.1 -0.980 76.6-111.9-142.2 152.5 5.9 43.6 2.4 72 80 A I S S+ 0 0 23 -2,-0.3 2,-0.1 1,-0.1 -47,-0.1 -0.940 82.5 54.8-138.1 159.0 4.5 47.1 1.8 73 81 A P S S+ 0 0 4 0, 0.0 16,-2.6 0, 0.0 2,-0.4 0.431 76.3 161.3 -66.5 143.1 4.6 50.0 2.3 74 82 A T E -CD 24 88A 4 -50,-1.3 -50,-3.2 14,-0.2 2,-0.5 -0.998 24.8-162.1-135.7 138.1 8.2 49.8 1.2 75 83 A V E -CD 23 87A 2 12,-2.8 12,-2.1 -2,-0.4 2,-0.3 -0.991 10.8-167.1-122.8 124.1 10.4 52.7 -0.0 76 84 A L E -CD 22 86A 0 -54,-2.7 -54,-3.2 -2,-0.5 2,-0.4 -0.860 7.8-150.7-112.0 146.2 13.6 51.9 -2.0 77 85 A F E -CD 21 85A 4 8,-2.1 7,-3.1 -2,-0.3 8,-1.0 -0.962 14.0-173.7-116.9 133.8 16.4 54.3 -2.8 78 86 A F E +CD 20 83A 2 -58,-2.8 -58,-3.0 -2,-0.4 2,-0.3 -0.922 7.9 178.0-124.8 152.0 18.6 53.9 -5.9 79 87 A K E > S- D 0 82A 67 3,-2.0 3,-1.2 -2,-0.3 -62,-0.1 -0.884 73.1 -9.9-155.8 118.2 21.7 55.7 -7.1 80 88 A N T 3 S- 0 0 116 -64,-0.4 -66,-0.1 -2,-0.3 3,-0.1 0.837 130.2 -51.0 62.4 35.1 23.7 54.9 -10.2 81 89 A G T 3 S+ 0 0 33 -68,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.457 115.4 109.1 85.5 1.2 21.8 51.7 -10.9 82 90 A E E < S-D 79 0A 116 -3,-1.2 -3,-2.0 -68,-0.0 2,-0.5 -0.914 70.9-122.0-118.3 140.1 22.2 50.3 -7.4 83 91 A R E +D 78 0A 87 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.638 32.2 177.5 -73.8 121.5 19.7 49.8 -4.6 84 92 A K E - 0 0 97 -7,-3.1 2,-0.3 -2,-0.5 -6,-0.2 0.730 56.2 -2.3-101.5 -26.0 21.2 51.7 -1.6 85 93 A E E -D 77 0A 29 -8,-1.0 -8,-2.1 2,-0.0 2,-0.4 -0.976 51.9-150.2-166.1 150.6 18.6 51.3 1.1 86 94 A S E -D 76 0A 7 -2,-0.3 105,-1.0 103,-0.2 2,-0.4 -0.991 11.2-173.6-129.2 135.9 15.2 49.8 1.9 87 95 A I E -De 75 191A 2 -12,-2.1 -12,-2.8 -2,-0.4 2,-0.3 -0.998 6.0-161.6-133.3 130.1 12.6 51.1 4.4 88 96 A I E +De 74 192A 5 103,-3.0 105,-2.6 -2,-0.4 -14,-0.2 -0.851 48.7 26.6-111.0 143.8 9.4 49.4 5.4 89 97 A G E S- e 0 193A 2 -16,-2.6 2,-1.8 -2,-0.3 105,-0.1 -0.456 105.2 -34.6 106.5-178.4 6.4 50.9 7.1 90 98 A A - 0 0 40 103,-0.6 105,-0.1 -2,-0.1 -2,-0.1 -0.612 69.9-161.8 -84.1 80.8 4.7 54.3 7.4 91 99 A V - 0 0 3 -2,-1.8 -53,-0.1 -4,-0.1 -2,-0.1 -0.428 13.9-121.8 -69.1 133.1 7.9 56.4 7.3 92 100 A P > - 0 0 45 0, 0.0 4,-1.7 0, 0.0 3,-0.4 -0.341 22.5-113.1 -72.3 157.6 7.7 60.0 8.6 93 101 A K H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 115.2 58.2 -56.4 -42.4 8.7 62.8 6.3 94 102 A S H > S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.857 105.7 47.9 -57.5 -40.5 11.8 63.6 8.4 95 103 A T H > S+ 0 0 13 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.898 111.4 49.7 -69.3 -41.3 13.2 60.1 8.0 96 104 A L H X S+ 0 0 1 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.891 109.6 52.7 -63.5 -39.7 12.8 60.1 4.3 97 105 A T H X S+ 0 0 29 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.861 103.8 56.0 -65.5 -37.1 14.5 63.6 4.1 98 106 A D H X S+ 0 0 37 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.935 112.3 43.4 -60.3 -44.8 17.5 62.4 6.0 99 107 A S H X S+ 0 0 4 -4,-1.6 4,-1.2 2,-0.2 3,-0.4 0.926 112.1 51.3 -66.1 -48.1 18.0 59.6 3.4 100 108 A I H >X S+ 0 0 2 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.919 108.7 54.7 -54.6 -44.3 17.3 61.9 0.4 101 109 A E H 3< S+ 0 0 106 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.807 103.8 52.9 -61.2 -34.1 19.9 64.3 1.8 102 110 A K H 3< S+ 0 0 115 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.775 108.1 50.2 -76.1 -23.6 22.7 61.7 2.1 103 111 A Y H << 0 0 29 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.530 360.0 360.0 -89.6 -5.9 22.3 60.6 -1.5 104 112 A L < 0 0 111 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.693 360.0 360.0 -90.6 360.0 22.5 64.2 -2.7 105 !* 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 0.0 106 9 B V 0 0 64 0, 0.0 52,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 120.1 14.6 39.6 25.2 107 10 B Q E -f 158 0A 117 50,-0.6 52,-1.6 1,-0.1 2,-0.2 -0.365 360.0-119.8 -73.2 149.8 18.0 40.9 26.4 108 11 B D E -f 159 0A 97 50,-0.2 2,-0.3 -2,-0.1 52,-0.2 -0.538 22.4-163.3 -89.6 156.3 18.8 44.6 26.3 109 12 B V + 0 0 5 50,-1.9 52,-0.4 -2,-0.2 2,-0.2 -0.955 11.8 173.5-135.1 151.4 21.7 46.2 24.3 110 13 B N > - 0 0 69 -2,-0.3 4,-1.5 50,-0.1 3,-0.2 -0.754 52.1 -67.6-143.2-168.5 23.3 49.6 24.8 111 14 B D T 4 S+ 0 0 71 53,-0.2 4,-0.3 -2,-0.2 54,-0.1 0.794 128.6 47.4 -58.4 -29.2 26.2 51.8 23.6 112 15 B S T 4 S+ 0 0 115 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.825 119.2 33.5 -84.0 -34.5 28.7 49.5 25.3 113 16 B S T > S+ 0 0 21 -3,-0.2 4,-2.9 1,-0.1 5,-0.4 0.428 90.7 96.3-102.8 0.8 27.5 46.1 24.1 114 17 B W H X>S+ 0 0 5 -4,-1.5 4,-2.9 2,-0.2 5,-1.2 0.960 83.8 47.6 -54.1 -61.1 26.3 47.1 20.6 115 18 B K H 4>S+ 0 0 147 -4,-0.3 5,-1.7 1,-0.2 -1,-0.2 0.914 119.6 39.3 -46.1 -54.5 29.4 46.2 18.6 116 19 B E H 45S+ 0 0 129 -4,-0.3 -1,-0.2 3,-0.2 -2,-0.2 0.905 123.7 36.0 -66.0 -48.0 29.7 42.8 20.3 117 20 B F H <5S+ 0 0 46 -4,-2.9 -3,-0.2 3,-0.1 -2,-0.2 0.893 133.5 19.8 -76.0 -42.6 26.1 41.7 20.5 118 21 B V T ><5S+ 0 0 2 -4,-2.9 3,-0.9 -5,-0.4 68,-0.4 0.924 127.4 38.2 -93.9 -60.5 24.8 43.2 17.2 119 22 B L T 3 - 0 0 0 -2,-0.3 3,-1.3 30,-0.2 6,-0.1 -0.956 33.9-110.8-162.3 150.4 11.3 53.8 25.2 132 35 B P T 3 S+ 0 0 63 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.816 117.3 49.1 -55.2 -36.4 9.1 53.9 28.3 133 36 B W T 3 S+ 0 0 170 -3,-0.0 2,-0.5 4,-0.0 -3,-0.0 0.568 84.0 111.3 -82.0 -10.7 7.0 56.8 27.1 134 37 B b <> - 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0 0 67 -3,-1.5 2,-1.0 1,-0.2 -3,-0.2 0.925 35.4-172.3 50.7 57.5 19.4 58.1 12.9 174 77 B I < + 0 0 27 -5,-3.0 -1,-0.2 1,-0.2 3,-0.1 -0.717 12.4 169.5 -82.1 105.3 16.4 56.7 14.8 175 78 B R + 0 0 139 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.788 62.5 12.2 -86.7 -33.8 13.8 59.5 14.3 176 79 B S S S- 0 0 38 -84,-0.0 -1,-0.2 2,-0.0 18,-0.2 -0.969 81.2 -95.4-144.3 159.0 10.8 57.7 15.7 177 80 B I S S+ 0 0 28 -2,-0.3 18,-0.2 16,-0.1 2,-0.1 -0.956 87.6 49.5-133.8 154.3 9.9 54.6 17.6 178 81 B P S S+ 0 0 2 0, 0.0 16,-3.0 0, 0.0 2,-0.4 0.420 73.3 159.3 -67.7 149.1 9.0 51.8 17.4 179 82 B T E -HI 129 193A 1 -50,-1.0 -50,-3.2 14,-0.2 2,-0.5 -0.990 22.9-161.3-140.1 136.1 11.7 51.0 14.9 180 83 B V E -HI 128 192A 2 12,-2.9 12,-3.0 -2,-0.4 2,-0.3 -0.992 8.1-165.4-123.4 124.8 13.1 47.6 14.2 181 84 B L E -HI 127 191A 0 -54,-2.4 -54,-2.9 -2,-0.5 2,-0.4 -0.848 7.8-148.5-110.9 148.0 16.4 47.1 12.4 182 85 B F E -HI 126 190A 8 8,-2.3 7,-2.8 -2,-0.3 8,-1.0 -0.965 15.4-173.4-117.3 131.0 17.8 43.9 10.8 183 86 B F E -HI 125 188A 4 -58,-2.7 -58,-2.9 -2,-0.4 2,-0.4 -0.955 8.7-177.8-126.0 142.6 21.5 43.2 10.7 184 87 B K E > S- I 0 187A 70 3,-2.4 3,-1.5 -2,-0.4 -62,-0.1 -0.950 74.6 -17.4-142.4 120.4 23.5 40.4 9.0 185 88 B N T 3 S- 0 0 109 -2,-0.4 -66,-0.1 -64,-0.3 -65,-0.1 0.886 129.3 -48.4 52.2 46.5 27.2 40.0 9.4 186 89 B G T 3 S+ 0 0 34 -68,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.462 115.5 113.2 78.6 1.9 27.7 43.6 10.6 187 90 B E E < - I 0 184A 118 -3,-1.5 -3,-2.4 -68,-0.1 2,-0.6 -0.910 69.8-123.5-114.8 136.0 25.6 45.2 7.9 188 91 B R E + I 0 183A 87 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.615 32.6 175.9 -73.0 113.8 22.2 47.0 8.3 189 92 B K E - 0 0 76 -7,-2.8 2,-0.3 -2,-0.6 -103,-0.2 0.877 56.8 -5.5 -89.3 -45.4 19.9 45.0 5.9 190 93 B E E - I 0 182A 6 -8,-1.0 -8,-2.3 -105,-0.1 2,-0.4 -0.991 51.9-143.7-152.2 159.0 16.5 46.7 6.5 191 94 B S E -eI 87 181A 3 -105,-1.0 -103,-3.0 -2,-0.3 2,-0.6 -0.993 8.0-164.8-127.6 129.0 14.7 49.2 8.6 192 95 B I E -eI 88 180A 0 -12,-3.0 -12,-2.9 -2,-0.4 2,-0.4 -0.964 14.3-161.0-115.9 114.1 11.1 48.9 9.8 193 96 B I E -eI 89 179A 9 -105,-2.6 -103,-0.6 -2,-0.6 -14,-0.2 -0.824 48.9 -2.2-102.0 132.5 9.6 52.2 11.0 194 97 B G S S- 0 0 23 -16,-3.0 2,-0.5 -2,-0.4 -14,-0.1 -0.090 104.8 -40.7 83.8 173.8 6.6 52.4 13.2 195 98 B A + 0 0 64 -18,-0.2 -105,-0.1 -105,-0.1 -2,-0.1 -0.653 67.7 177.8 -77.5 121.4 4.3 49.7 14.6 196 99 B V - 0 0 27 -2,-0.5 5,-0.1 1,-0.1 -2,-0.1 -0.834 37.4 -80.7-121.5 160.6 3.7 47.2 11.8 197 100 B P >> - 0 0 77 0, 0.0 4,-1.2 0, 0.0 3,-0.9 -0.212 38.9-117.5 -57.6 151.4 1.7 43.9 11.8 198 101 B K H 3> S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.872 114.2 62.9 -56.5 -39.2 3.4 40.9 13.2 199 102 B S H 3> S+ 0 0 69 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.811 98.5 54.4 -57.4 -33.7 3.2 39.2 9.8 200 103 B T H <> S+ 0 0 16 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.899 110.3 46.3 -67.7 -39.8 5.5 42.0 8.3 201 104 B L H X S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.891 114.0 49.0 -66.7 -41.6 8.1 41.2 11.0 202 105 B T H X S+ 0 0 26 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.940 110.3 49.6 -63.7 -49.3 7.7 37.5 10.3 203 106 B D H X S+ 0 0 64 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.822 112.6 48.3 -61.0 -32.6 8.0 37.9 6.6 204 107 B S H >X S+ 0 0 1 -4,-1.6 3,-0.7 2,-0.2 4,-0.5 0.893 109.7 50.6 -75.3 -42.5 11.2 40.0 7.0 205 108 B I H >< S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.933 105.5 59.6 -59.1 -44.1 12.9 37.6 9.4 206 109 B E H >< S+ 0 0 85 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.734 94.2 62.4 -58.1 -28.0 12.2 34.8 7.0 207 110 B K H << S+ 0 0 34 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.700 104.4 48.6 -74.6 -16.0 14.2 36.3 4.2 208 111 B Y T << 0 0 43 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.250 360.0 360.0-106.4 12.7 17.4 36.2 6.2 209 112 B L < 0 0 111 -3,-1.0 -2,-0.2 -4,-0.1 -3,-0.1 0.852 360.0 360.0-103.8 360.0 17.0 32.5 7.3