==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 15-JUN-05 1ZZY . COMPND 2 MOLECULE: THIOREDOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.A.GAVIRA,R.PEREZ-JIMENEZ,B.IBARRA-MOLERO,J.M.SANCHEZ-RUIZ . 212 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 15.1 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 24 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 4 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 PARALLEL BRIDGES PER LADDER . 1 0 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 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 3 A K 0 0 166 0, 0.0 2,-0.8 0, 0.0 52,-0.4 0.000 360.0 360.0 360.0 -45.5 36.0 41.2 3.8 2 4 A I - 0 0 43 50,-0.1 52,-0.2 52,-0.0 53,-0.1 -0.821 360.0-122.0 -93.0 111.1 34.3 42.5 6.9 3 5 A I E -a 54 0A 53 50,-2.0 52,-2.3 -2,-0.8 2,-1.0 -0.198 12.3-141.1 -54.4 133.4 30.7 41.2 7.0 4 6 A H E -a 55 0A 138 50,-0.2 2,-0.2 52,-0.0 52,-0.1 -0.831 28.6-164.5 -95.6 96.9 28.0 43.9 7.1 5 7 A V - 0 0 1 50,-1.8 52,-0.5 -2,-1.0 2,-0.3 -0.561 10.6-176.3 -88.1 151.8 25.5 42.4 9.5 6 8 A T > - 0 0 43 -2,-0.2 4,-1.0 50,-0.1 3,-0.1 -0.835 45.1 -95.9-133.2 172.1 21.8 43.5 10.0 7 9 A D T 4 S+ 0 0 60 -2,-0.3 4,-0.4 1,-0.2 3,-0.1 0.811 125.7 47.4 -59.7 -28.6 18.9 42.6 12.3 8 10 A D T 4 S+ 0 0 141 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.809 115.5 40.5 -84.0 -32.7 17.7 40.3 9.5 9 11 A S T > S+ 0 0 24 1,-0.1 4,-2.8 2,-0.1 5,-0.3 0.374 89.7 91.0 -99.0 4.1 21.0 38.5 8.6 10 12 A F H X>S+ 0 0 8 -4,-1.0 4,-3.0 2,-0.2 5,-1.2 0.967 85.0 49.6 -62.9 -55.3 22.4 38.1 12.1 11 13 A D H 4>S+ 0 0 66 -4,-0.4 5,-1.1 3,-0.2 6,-0.2 0.882 120.5 36.3 -52.8 -43.0 20.8 34.6 12.8 12 14 A T H 45S+ 0 0 62 -4,-0.3 -1,-0.2 3,-0.2 -2,-0.2 0.903 121.3 43.1 -81.5 -40.8 22.1 33.2 9.5 13 15 A D H <5S+ 0 0 58 -4,-2.8 -2,-0.2 3,-0.1 -3,-0.2 0.782 133.7 15.4 -76.0 -25.2 25.5 35.0 9.2 14 16 A V T <5S+ 0 0 2 -4,-3.0 3,-0.3 -5,-0.3 68,-0.2 0.803 126.6 44.1-113.8 -51.3 26.4 34.5 12.9 15 17 A L T - 0 0 0 -2,-0.2 3,-1.7 30,-0.2 7,-0.2 -0.958 33.8-112.3-158.2 147.7 27.4 53.6 16.1 28 30 A E T 3 S+ 0 0 105 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.819 116.6 51.9 -52.6 -36.9 28.4 56.7 14.1 29 31 A W T 3 S+ 0 0 166 1,-0.1 2,-1.1 4,-0.0 -1,-0.3 0.594 85.0 100.8 -80.3 -8.9 28.3 58.9 17.2 30 32 A a X> - 0 0 6 -3,-1.7 4,-1.8 1,-0.2 3,-0.5 -0.645 50.4-173.4 -83.8 97.6 30.5 56.5 19.2 31 33 A G H >> S+ 0 0 43 -2,-1.1 4,-1.3 1,-0.2 3,-0.6 0.951 83.5 51.9 -52.7 -62.9 34.1 58.0 19.2 32 34 A P H 3> S+ 0 0 69 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.783 109.6 55.2 -46.9 -28.9 35.9 55.0 21.0 33 35 A a H X> S+ 0 0 2 -3,-0.5 4,-0.8 1,-0.2 3,-0.8 0.936 105.2 49.0 -69.7 -48.8 34.2 52.9 18.3 34 36 A K H << S+ 0 0 111 -4,-1.8 -1,-0.2 -3,-0.6 -3,-0.1 0.665 105.5 62.7 -64.4 -16.1 35.6 54.9 15.4 35 37 A M H 3< S+ 0 0 125 -4,-1.3 4,-0.3 -5,-0.2 -1,-0.2 0.830 108.0 37.9 -79.0 -34.8 39.0 54.6 17.1 36 38 A I H S+ 0 0 62 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.925 107.4 54.3 -61.9 -42.2 41.1 50.7 11.7 39 41 A I H > S+ 0 0 25 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.822 105.4 52.5 -59.8 -36.0 42.4 48.0 14.0 40 42 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.856 105.0 55.6 -68.5 -38.1 39.5 45.6 12.9 41 43 A D H X S+ 0 0 82 -4,-1.5 4,-0.6 1,-0.2 -2,-0.2 0.888 113.2 41.6 -61.6 -39.4 40.3 46.2 9.3 42 44 A E H >X S+ 0 0 87 -4,-1.6 4,-2.0 1,-0.2 3,-0.6 0.852 110.1 56.4 -77.9 -34.6 43.9 45.1 9.9 43 45 A I H 3X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.3 -2,-0.2 0.842 99.8 60.9 -63.9 -34.4 42.9 42.2 12.2 44 46 A A H 3< S+ 0 0 6 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.836 108.2 45.0 -62.4 -30.7 40.8 40.8 9.4 45 47 A D H X< S+ 0 0 85 -4,-0.6 3,-1.0 -3,-0.6 -2,-0.2 0.903 113.3 46.3 -79.5 -43.1 44.0 40.6 7.3 46 48 A E H 3< S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.661 119.5 42.1 -74.1 -17.2 46.2 39.0 10.0 47 49 A Y T >X S+ 0 0 9 -4,-1.6 4,-0.7 -5,-0.2 3,-0.7 -0.186 77.2 148.4-121.9 38.9 43.6 36.5 10.9 48 50 A Q B <4 S+j 51 0B 133 -3,-1.0 4,-0.1 1,-0.2 -3,-0.1 -0.641 72.0 18.0 -77.3 120.3 42.3 35.5 7.5 49 51 A G T 34 S+ 0 0 83 2,-0.6 -1,-0.2 -2,-0.5 3,-0.1 0.010 124.3 54.6 109.8 -29.0 41.2 31.9 7.5 50 52 A K T <4 S+ 0 0 132 -3,-0.7 2,-0.3 1,-0.3 -2,-0.2 0.285 112.8 32.7-118.3 7.6 40.8 31.5 11.3 51 53 A L B < -j 48 0B 14 -4,-0.7 -2,-0.6 -7,-0.1 2,-0.4 -0.949 56.9-155.5-165.0 140.4 38.5 34.4 11.9 52 54 A T E - c 0 21A 58 -32,-1.9 -30,-2.7 -2,-0.3 2,-0.4 -0.981 18.2-150.1-119.0 129.6 35.7 36.3 10.2 53 55 A V E + c 0 22A 3 -2,-0.4 -50,-2.0 -52,-0.4 2,-0.3 -0.866 19.3 174.1-104.2 132.0 35.1 40.0 11.2 54 56 A A E -ac 3 23A 0 -32,-2.6 -30,-2.1 -2,-0.4 2,-0.4 -0.889 14.8-151.1-131.2 162.4 31.6 41.5 11.1 55 57 A K E -ac 4 24A 44 -52,-2.3 -50,-1.8 -2,-0.3 2,-0.5 -0.999 3.6-164.4-140.4 137.8 30.1 44.8 12.2 56 58 A L E - c 0 25A 0 -32,-2.7 -30,-1.8 -2,-0.4 2,-0.7 -0.977 14.3-145.6-126.1 119.2 26.6 45.8 13.3 57 59 A N E > - c 0 26A 13 -52,-0.5 4,-1.7 -2,-0.5 -30,-0.2 -0.738 10.1-158.3 -81.2 115.3 25.5 49.5 13.4 58 60 A I T 4 S+ 0 0 30 -32,-2.8 -1,-0.2 -2,-0.7 -31,-0.2 0.838 86.9 58.1 -67.4 -33.5 23.1 49.6 16.4 59 61 A D T 4 S+ 0 0 86 -33,-0.4 -1,-0.2 1,-0.2 -32,-0.1 0.915 116.2 34.8 -61.6 -44.5 21.3 52.8 15.2 60 62 A Q T 4 S+ 0 0 130 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.2 0.702 130.3 36.2 -82.8 -21.8 20.3 51.2 12.0 61 63 A N X + 0 0 19 -4,-1.7 4,-0.5 -55,-0.1 3,-0.4 -0.614 69.0 163.2-132.1 73.5 19.8 47.7 13.6 62 64 A P T 4 + 0 0 94 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.228 61.2 67.0 -76.5 14.0 18.4 48.4 17.1 63 65 A G T > S+ 0 0 37 2,-0.1 4,-0.8 3,-0.1 -5,-0.1 0.851 88.5 53.4-104.3 -38.0 17.1 44.9 17.8 64 66 A T H > S+ 0 0 10 -3,-0.4 4,-0.9 1,-0.2 3,-0.5 0.889 96.8 64.3 -66.1 -45.3 20.1 42.5 18.2 65 67 A A H ><>S+ 0 0 12 -4,-0.5 5,-1.7 1,-0.2 3,-1.3 0.895 99.5 52.6 -48.1 -51.2 22.1 44.3 20.8 66 68 A P H >45S+ 0 0 88 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.872 100.5 60.7 -56.4 -41.2 19.5 44.0 23.6 67 69 A K H 3<5S+ 0 0 169 -4,-0.8 -2,-0.2 -3,-0.5 -3,-0.1 0.774 107.0 48.2 -59.6 -24.4 19.1 40.2 23.2 68 70 A Y T <<5S- 0 0 63 -3,-1.3 -1,-0.3 -4,-0.9 3,-0.1 0.074 114.5-113.0-104.4 24.3 22.8 39.9 24.1 69 71 A G T < 5 + 0 0 13 -3,-2.0 2,-0.5 1,-0.2 -2,-0.1 0.712 52.0 171.1 54.7 24.3 22.8 42.2 27.1 70 72 A I < + 0 0 25 -5,-1.7 -1,-0.2 1,-0.2 3,-0.1 -0.542 10.8 178.7 -69.4 115.6 24.9 44.8 25.4 71 73 A R - 0 0 217 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.565 60.1 -9.9 -96.2 -12.9 24.9 47.7 27.8 72 74 A G S S- 0 0 34 18,-0.0 -1,-0.2 -47,-0.0 18,-0.1 -0.990 76.7 -65.5-173.3 169.5 27.2 50.0 25.8 73 75 A I S S+ 0 0 34 -2,-0.3 2,-0.1 -3,-0.1 -47,-0.1 -0.910 90.8 42.6-127.9 156.4 29.6 50.4 22.9 74 76 A P S S+ 0 0 4 0, 0.0 16,-2.7 0, 0.0 2,-0.3 0.517 77.3 151.3 -73.4 150.6 32.1 49.7 21.7 75 77 A T E -BD 25 89A 4 -50,-0.9 -50,-2.1 14,-0.2 2,-0.4 -0.975 29.1-154.7-149.4 133.3 31.7 46.1 22.6 76 78 A L E -BD 24 88A 1 12,-3.3 12,-1.9 -2,-0.3 2,-0.5 -0.940 5.4-166.8-116.2 131.8 33.1 43.0 20.8 77 79 A L E -BD 23 87A 7 -54,-2.0 -54,-3.3 -2,-0.4 2,-0.8 -0.969 9.9-151.9-118.4 131.1 31.5 39.5 21.0 78 80 A L E -BD 22 86A 0 8,-2.9 7,-3.9 -2,-0.5 8,-1.2 -0.891 15.8-159.7-103.4 107.1 33.4 36.4 19.8 79 81 A F E -BD 21 84A 2 -58,-2.9 -58,-2.1 -2,-0.8 2,-0.4 -0.689 11.0-178.5 -89.3 142.2 30.9 33.8 18.7 80 82 A K E > S-BD 20 83A 54 3,-2.9 3,-1.4 -2,-0.3 -60,-0.1 -0.980 70.0 -11.8-143.7 123.6 32.0 30.2 18.5 81 83 A N T 3 S- 0 0 136 -62,-0.6 3,-0.1 -2,-0.4 -61,-0.1 0.665 131.9 -50.0 59.1 20.6 29.7 27.4 17.3 82 84 A G T 3 S+ 0 0 19 -63,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.572 123.2 86.7 96.8 11.5 26.7 29.7 17.5 83 85 A E E < S-D 80 0A 72 -3,-1.4 -3,-2.9 -69,-0.1 -1,-0.3 -0.995 87.3 -88.6-145.3 149.7 27.3 31.0 21.0 84 86 A V E +D 79 0A 22 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.375 39.3 172.7 -60.1 120.6 29.2 33.7 22.7 85 87 A A E + 0 0 10 -7,-3.9 109,-1.3 1,-0.3 2,-0.3 0.750 65.5 1.6 -98.5 -32.9 32.7 32.5 23.5 86 88 A A E -DE 78 193A 0 -8,-1.2 -8,-2.9 107,-0.2 2,-0.3 -0.989 59.8-151.4-158.4 150.4 34.3 35.7 24.8 87 89 A T E -D 77 0A 35 105,-0.7 2,-0.3 -2,-0.3 -10,-0.2 -0.920 8.3-177.7-127.5 149.0 33.4 39.4 25.4 88 90 A K E -D 76 0A 39 -12,-1.9 -12,-3.3 -2,-0.3 2,-0.4 -0.925 7.3-165.4-149.2 118.1 35.4 42.6 25.4 89 91 A V E +D 75 0A 104 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.1 -0.879 50.2 19.0-110.8 137.4 34.0 46.1 26.2 90 92 A G S S- 0 0 24 -16,-2.7 -14,-0.1 -2,-0.4 2,-0.1 -0.261 93.3 -50.9 100.7 170.2 35.7 49.4 25.5 91 93 A A + 0 0 41 -18,-0.1 2,-0.3 -2,-0.1 -58,-0.1 -0.393 56.7 179.6 -76.2 157.9 38.4 50.6 23.2 92 94 A L - 0 0 14 -60,-0.2 -2,-0.0 -2,-0.1 0, 0.0 -0.988 26.2-104.5-157.6 156.8 41.8 48.8 23.0 93 95 A S > - 0 0 62 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.150 41.8 -98.0 -76.9 176.8 45.1 48.9 21.2 94 96 A K H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.941 123.9 50.6 -59.0 -48.4 46.3 46.6 18.5 95 97 A G H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.906 106.6 51.3 -58.0 -49.9 48.2 44.5 21.0 96 98 A Q H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 110.8 50.6 -59.4 -34.7 45.4 44.0 23.5 97 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.939 110.5 47.8 -70.5 -44.0 43.1 42.8 20.6 98 100 A K H X S+ 0 0 67 -4,-2.2 4,-3.6 2,-0.2 5,-0.3 0.922 112.5 48.4 -61.8 -45.1 45.7 40.3 19.4 99 101 A E H X S+ 0 0 135 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.942 113.2 48.5 -61.7 -44.7 46.4 38.9 22.8 100 102 A F H X S+ 0 0 9 -4,-1.9 4,-1.3 -5,-0.3 -2,-0.2 0.925 116.1 44.1 -59.9 -44.4 42.6 38.6 23.4 101 103 A L H X S+ 0 0 0 -4,-2.9 4,-1.0 2,-0.2 3,-0.2 0.930 111.8 50.5 -67.0 -47.5 42.2 36.9 20.1 102 104 A D H X S+ 0 0 89 -4,-3.6 4,-0.8 1,-0.2 3,-0.4 0.883 111.6 49.7 -57.7 -41.9 45.2 34.5 20.3 103 105 A A H < S+ 0 0 41 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.794 117.4 37.8 -70.0 -31.7 44.0 33.3 23.8 104 106 A N H < S+ 0 0 8 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.405 107.2 63.7-103.4 4.1 40.4 32.6 22.8 105 107 A L H < 0 0 39 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.1 0.675 360.0 360.0 -96.6 -19.7 41.0 31.2 19.3 106 108 A A < 0 0 122 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.1 0.022 360.0 360.0 -77.7 360.0 42.9 28.2 20.5 107 !* 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 0.0 108 3 B K 0 0 166 0, 0.0 2,-0.8 0, 0.0 52,-0.4 0.000 360.0 360.0 360.0 -47.3 34.7 28.2 49.1 109 4 B I - 0 0 42 50,-0.1 52,-0.2 52,-0.0 53,-0.1 -0.799 360.0-122.4 -91.3 110.0 32.9 26.8 45.9 110 5 B I E -f 161 0A 52 50,-2.0 52,-2.3 -2,-0.8 2,-1.0 -0.204 12.2-141.0 -54.9 132.4 29.3 28.1 45.9 111 6 B H E -f 162 0A 139 50,-0.2 2,-0.2 52,-0.0 52,-0.1 -0.822 28.6-163.9 -94.4 97.2 26.7 25.4 45.8 112 7 B V - 0 0 1 50,-1.8 52,-0.5 -2,-1.0 2,-0.3 -0.539 11.1-176.5 -88.0 152.6 24.1 26.9 43.4 113 8 B T > - 0 0 44 -2,-0.2 4,-1.1 50,-0.1 3,-0.1 -0.855 45.1 -96.1-134.5 171.7 20.5 25.8 42.9 114 9 B D T 4 S+ 0 0 58 -2,-0.3 4,-0.3 1,-0.2 54,-0.1 0.787 125.7 47.3 -60.4 -26.9 17.6 26.8 40.6 115 10 B D T 4 S+ 0 0 140 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.808 115.5 40.7 -85.6 -33.0 16.3 29.0 43.4 116 11 B S T > S+ 0 0 24 -3,-0.1 4,-2.7 1,-0.1 5,-0.3 0.374 89.8 90.4 -98.2 3.9 19.6 30.8 44.3 117 12 B F H X>S+ 0 0 8 -4,-1.1 4,-2.9 2,-0.2 5,-1.3 0.957 85.1 50.0 -63.9 -53.5 21.0 31.3 40.8 118 13 B D H 4>S+ 0 0 66 -4,-0.3 5,-1.2 3,-0.2 6,-0.2 0.893 120.4 35.9 -54.8 -43.0 19.4 34.7 40.2 119 14 B T H 45S+ 0 0 61 -4,-0.3 -1,-0.2 3,-0.2 -2,-0.2 0.910 121.6 42.9 -81.3 -41.9 20.7 36.1 43.5 120 15 B D H <5S+ 0 0 59 -4,-2.7 -2,-0.2 3,-0.1 -3,-0.2 0.796 133.9 15.6 -74.5 -26.0 24.0 34.3 43.7 121 16 B V T <5S+ 0 0 3 -4,-2.9 3,-0.2 -5,-0.3 68,-0.2 0.814 126.7 43.8-113.0 -51.0 25.0 34.9 40.1 122 17 B L T - 0 0 0 -2,-0.2 3,-1.7 3,-0.2 7,-0.2 -0.951 33.8-112.4-160.8 147.5 26.1 15.8 36.7 135 30 B E T 3 S+ 0 0 104 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.824 116.5 52.1 -53.3 -36.7 27.1 12.7 38.6 136 31 B W T 3 S+ 0 0 164 1,-0.1 2,-1.1 -3,-0.0 -1,-0.3 0.578 84.9 101.4 -80.3 -7.1 27.1 10.5 35.5 137 32 B b <> - 0 0 7 -3,-1.7 4,-1.9 1,-0.2 3,-0.4 -0.653 49.9-173.5 -85.0 97.6 29.3 12.9 33.5 138 33 B G H >> S+ 0 0 44 -2,-1.1 4,-1.3 1,-0.2 3,-0.5 0.958 84.0 51.5 -51.9 -63.1 32.8 11.5 33.5 139 34 B P H 3> S+ 0 0 67 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.799 109.6 55.2 -46.7 -30.8 34.6 14.5 31.8 140 35 B b H >> S+ 0 0 2 -3,-0.4 4,-0.8 1,-0.2 3,-0.8 0.936 105.1 49.3 -68.4 -48.8 32.9 16.6 34.5 141 36 B K H << S+ 0 0 111 -4,-1.9 -1,-0.2 -3,-0.5 -3,-0.1 0.664 105.3 62.8 -64.5 -15.5 34.4 14.6 37.3 142 37 B M H 3< S+ 0 0 123 -4,-1.3 4,-0.3 -5,-0.2 -1,-0.2 0.824 108.0 37.9 -79.6 -33.7 37.7 14.9 35.6 143 38 B I H S+ 0 0 64 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.917 107.5 54.2 -63.9 -40.8 39.8 18.7 41.1 146 41 B I H > S+ 0 0 24 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.831 105.5 52.5 -61.1 -36.2 41.1 21.5 38.8 147 42 B L H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.873 104.9 56.0 -68.4 -38.7 38.2 23.9 39.9 148 43 B D H X S+ 0 0 83 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.896 113.1 40.9 -60.6 -39.5 39.0 23.3 43.5 149 44 B E H >X S+ 0 0 86 -4,-1.6 4,-2.1 1,-0.2 3,-0.5 0.846 110.2 57.1 -78.3 -34.2 42.6 24.4 42.9 150 45 B I H 3X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.834 99.5 60.6 -63.8 -33.3 41.6 27.3 40.7 151 46 B A H 3< S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.836 108.4 45.3 -63.4 -30.4 39.4 28.6 43.5 152 47 B D H X< S+ 0 0 82 -4,-0.6 3,-1.0 -3,-0.5 -2,-0.2 0.913 113.1 46.0 -78.9 -44.5 42.6 28.9 45.5 153 48 B E H 3< S+ 0 0 77 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.674 119.8 42.1 -72.6 -18.9 44.9 30.5 42.9 154 49 B Y T >X S+ 0 0 8 -4,-1.6 4,-0.8 -5,-0.2 3,-0.7 -0.170 77.2 147.6-119.9 37.6 42.1 33.0 42.0 155 50 B Q B <4 S+k 158 0C 134 -3,-1.0 4,-0.1 1,-0.2 -3,-0.1 -0.633 72.3 18.6 -76.5 120.1 40.9 33.9 45.4 156 51 B G T 34 S+ 0 0 83 2,-0.6 -1,-0.2 -2,-0.5 3,-0.1 0.021 124.2 54.4 110.2 -28.3 39.7 37.5 45.4 157 52 B K T <4 S+ 0 0 131 -3,-0.7 2,-0.3 1,-0.3 -2,-0.2 0.283 113.0 31.7-119.3 8.0 39.4 38.0 41.7 158 53 B L B < -k 155 0C 13 -4,-0.8 -2,-0.6 -7,-0.1 2,-0.4 -0.947 57.1-154.6-165.5 141.7 37.0 35.0 41.0 159 54 B T E - h 0 128A 58 -32,-1.9 -30,-2.6 -2,-0.3 2,-0.4 -0.985 18.2-149.4-120.9 129.4 34.3 33.1 42.7 160 55 B V E + h 0 129A 2 -2,-0.4 -50,-2.0 -52,-0.4 2,-0.3 -0.856 19.6 173.8-103.6 131.7 33.7 29.5 41.6 161 56 B A E -fh 110 130A 0 -32,-2.6 -30,-2.0 -2,-0.4 2,-0.4 -0.879 14.7-151.8-130.4 163.0 30.2 27.9 41.8 162 57 B K E -fh 111 131A 45 -52,-2.3 -50,-1.8 -2,-0.3 2,-0.5 -1.000 3.4-164.3-141.2 137.8 28.7 24.6 40.7 163 58 B L E - h 0 132A 0 -32,-2.6 -30,-1.8 -2,-0.4 2,-0.7 -0.981 14.3-145.4-126.0 120.7 25.2 23.6 39.6 164 59 B N E > - h 0 133A 14 -52,-0.5 4,-1.6 -2,-0.5 -30,-0.2 -0.750 10.0-158.1 -82.8 115.3 24.2 19.9 39.4 165 60 B I T 4 S+ 0 0 30 -32,-2.8 -1,-0.2 -2,-0.7 -31,-0.2 0.831 86.9 58.0 -66.9 -33.9 21.8 19.8 36.4 166 61 B D T 4 S+ 0 0 85 -33,-0.4 -1,-0.2 1,-0.2 -32,-0.1 0.911 116.2 35.2 -61.9 -43.9 20.0 16.5 37.5 167 62 B Q T 4 S+ 0 0 130 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.691 130.0 36.2 -83.2 -21.2 19.0 18.2 40.8 168 63 B N X + 0 0 18 -4,-1.6 4,-0.5 -55,-0.1 3,-0.4 -0.607 68.6 163.4-132.7 73.4 18.5 21.6 39.2 169 64 B P T 4 + 0 0 93 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.228 61.2 67.1 -76.0 13.4 17.0 20.9 35.7 170 65 B G T > S+ 0 0 36 2,-0.1 4,-0.8 3,-0.1 -5,-0.1 0.853 88.7 53.1-103.5 -38.8 15.8 24.4 35.0 171 66 B T H >> S+ 0 0 11 -3,-0.4 4,-0.8 1,-0.2 3,-0.6 0.892 96.6 64.2 -66.1 -45.8 18.7 26.9 34.7 172 67 B A H ><>S+ 0 0 12 -4,-0.5 5,-1.8 1,-0.2 3,-1.1 0.877 99.5 53.2 -48.5 -48.5 20.8 25.1 32.0 173 68 B P H >45S+ 0 0 87 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.860 100.1 60.5 -58.8 -38.3 18.1 25.4 29.3 174 69 B K H <<5S+ 0 0 168 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.1 0.763 107.2 48.0 -62.2 -23.4 17.7 29.2 29.7 175 70 B Y T <<5S- 0 0 64 -3,-1.1 -1,-0.3 -4,-0.8 3,-0.1 0.040 114.4-113.2-105.9 25.4 21.4 29.5 28.8 176 71 B G T < 5 + 0 0 26 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.706 51.4 171.5 52.8 24.4 21.4 27.3 25.7 177 72 B I < + 0 0 25 -5,-1.8 -1,-0.2 1,-0.2 3,-0.1 -0.538 10.5 179.2 -68.5 115.7 23.6 24.7 27.4 178 73 B R - 0 0 220 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.598 60.1 -10.0 -95.3 -14.7 23.6 21.8 25.0 179 74 B G S S- 0 0 35 18,-0.0 -1,-0.2 -47,-0.0 18,-0.1 -0.990 76.8 -65.1-171.4 171.3 25.9 19.5 27.0 180 75 B I S S+ 0 0 34 -2,-0.3 2,-0.1 -3,-0.1 -47,-0.1 -0.919 90.7 42.4-129.3 156.0 28.3 19.1 29.9 181 76 B P S S+ 0 0 5 0, 0.0 16,-2.5 0, 0.0 2,-0.3 0.538 77.4 151.4 -73.1 152.5 30.8 19.8 31.1 182 77 B T E -GI 132 196A 5 -50,-0.8 -50,-2.1 14,-0.2 2,-0.4 -0.968 29.0-154.9-151.8 133.0 30.4 23.4 30.2 183 78 B L E -GI 131 195A 2 12,-3.3 12,-2.0 -2,-0.3 2,-0.4 -0.939 5.5-167.5-116.4 131.9 31.7 26.5 32.0 184 79 B L E -GI 130 194A 7 -54,-1.9 -54,-3.3 -2,-0.4 2,-0.7 -0.968 10.1-152.1-118.5 132.7 30.1 30.0 31.8 185 80 B L E -GI 129 193A 0 8,-2.8 7,-3.9 -2,-0.4 8,-1.2 -0.908 15.5-159.6-104.9 107.7 31.9 33.0 33.1 186 81 B F E -GI 128 191A 2 -58,-3.0 -58,-2.1 -2,-0.7 2,-0.4 -0.688 10.6-177.6 -89.1 144.9 29.4 35.6 34.2 187 82 B K E > S-GI 127 190A 52 3,-2.8 3,-1.6 -2,-0.3 -60,-0.1 -0.982 70.1 -12.0-144.0 124.2 30.5 39.2 34.5 188 83 B N T 3 S- 0 0 137 -62,-0.7 3,-0.1 -2,-0.4 -61,-0.1 0.669 132.2 -49.3 58.2 20.6 28.2 42.0 35.7 189 84 B G T 3 S+ 0 0 19 -63,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.556 123.2 86.5 97.3 10.5 25.2 39.7 35.5 190 85 B E E < S- I 0 187A 73 -3,-1.6 -3,-2.8 -69,-0.1 -1,-0.3 -0.996 87.2 -89.0-145.0 149.0 25.8 38.4 32.0 191 86 B V E + I 0 186A 42 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.352 38.9 173.3 -58.0 122.1 27.8 35.7 30.2 192 87 B A E + 0 0 8 -7,-3.9 -105,-0.7 1,-0.4 2,-0.3 0.785 65.6 1.1 -98.5 -37.0 31.3 37.0 29.4 193 88 B A E -EI 86 185A 0 -8,-1.2 -8,-2.8 -107,-0.2 -1,-0.4 -0.997 59.9-150.5-155.2 151.8 32.8 33.8 28.1 194 89 B T E - I 0 184A 21 -109,-1.3 2,-0.3 -2,-0.3 -10,-0.2 -0.923 8.4-177.0-127.0 148.6 31.9 30.2 27.4 195 90 B K E - I 0 183A 60 -12,-2.0 -12,-3.3 -2,-0.3 2,-0.4 -0.929 7.0-165.4-148.1 118.0 33.9 26.9 27.4 196 91 B V E + I 0 182A 96 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.1 -0.882 50.1 19.4-110.5 136.5 32.7 23.5 26.5 197 92 B G S S- 0 0 24 -16,-2.5 -14,-0.1 -2,-0.4 2,-0.1 -0.278 92.6 -52.2 102.1 170.8 34.4 20.2 27.3 198 93 B A + 0 0 39 -18,-0.1 2,-0.3 -2,-0.1 -58,-0.1 -0.387 56.6 179.0 -77.5 161.3 37.1 19.0 29.6 199 94 B L - 0 0 14 -60,-0.2 -2,-0.0 -2,-0.1 2,-0.0 -0.983 26.3-103.3-161.0 156.5 40.4 20.8 29.7 200 95 B S > - 0 0 63 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.181 42.0 -97.8 -77.0 175.6 43.8 20.7 31.6 201 96 B K H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.944 124.0 50.0 -57.1 -49.7 44.9 23.0 34.4 202 97 B G H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 106.5 51.8 -58.7 -47.0 46.8 25.1 31.8 203 98 B Q H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.837 110.8 50.4 -62.0 -32.0 44.0 25.6 29.4 204 99 B L H X S+ 0 0 0 -4,-1.6 4,-2.9 -3,-0.2 -2,-0.2 0.929 110.7 47.8 -72.9 -42.9 41.8 26.7 32.2 205 100 B K H X S+ 0 0 68 -4,-2.2 4,-3.6 2,-0.2 5,-0.3 0.924 112.4 48.4 -62.4 -45.5 44.3 29.3 33.5 206 101 B E H X S+ 0 0 127 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.943 113.1 48.5 -61.0 -45.3 45.0 30.7 30.0 207 102 B F H X S+ 0 0 7 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.928 116.0 44.5 -59.2 -45.1 41.2 31.0 29.5 208 103 B L H X S+ 0 0 0 -4,-2.9 4,-1.1 2,-0.2 3,-0.2 0.930 111.7 50.1 -66.9 -47.7 40.8 32.7 32.8 209 104 B D H X S+ 0 0 87 -4,-3.6 4,-0.8 1,-0.2 3,-0.3 0.886 111.6 50.3 -57.8 -41.1 43.7 35.1 32.6 210 105 B A H < S+ 0 0 22 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.801 117.4 37.2 -69.7 -32.6 42.6 36.2 29.1 211 106 B N H < S+ 0 0 8 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.417 107.0 63.9-103.4 3.4 39.0 36.9 30.1 212 107 B L H < 0 0 39 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.1 0.685 360.0 360.0 -95.5 -20.0 39.5 38.3 33.6 213 108 B A < 0 0 116 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.1 0.022 360.0 360.0 -77.3 360.0 41.4 41.4 32.4