==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 01-JUN-06 2H74 . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.A.GAVIRA,R.GODOY-RUIZ,B.IBARRA-MOLERO,J.M.SANCHEZ-RUIZ . 216 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 13.4 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 . 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 . 21 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 25.9 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 3 0 0 0 0 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 2 1 0 0 0 3 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 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A S 0 0 167 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 14.3 12.2 14.7 26.5 2 2 A E + 0 0 125 1,-0.1 3,-0.1 3,-0.0 4,-0.0 -0.813 360.0 111.4-120.7 92.0 8.6 15.9 25.7 3 3 A K S S+ 0 0 118 -2,-0.5 2,-0.4 1,-0.1 52,-0.3 0.521 87.7 59.8 -95.0 -46.1 7.1 18.5 28.0 4 4 A I S S- 0 0 11 -3,-0.2 2,-0.3 50,-0.1 52,-0.2 -0.658 93.0-131.0 -76.8 127.4 7.5 20.6 24.9 5 5 A I E -a 56 0A 32 50,-2.5 52,-2.0 -2,-0.4 2,-0.7 -0.643 14.7-144.5 -74.1 133.2 5.7 19.4 21.8 6 6 A H E -a 57 0A 103 -2,-0.3 52,-0.2 50,-0.2 2,-0.1 -0.916 26.1-153.9-101.3 111.2 8.0 19.3 18.9 7 7 A L - 0 0 7 50,-2.3 52,-0.4 -2,-0.7 2,-0.3 -0.320 16.5-168.4 -89.4 165.5 5.8 20.3 16.0 8 8 A T > - 0 0 58 50,-0.1 4,-0.7 -2,-0.1 7,-0.1 -0.817 39.6-105.6-132.2 179.6 6.0 19.6 12.2 9 9 A D T 4 S+ 0 0 41 -2,-0.3 4,-0.4 1,-0.2 3,-0.2 0.865 122.9 46.6 -70.9 -37.1 4.1 21.0 9.2 10 10 A D T 4 S+ 0 0 160 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.765 116.9 41.4 -75.0 -30.2 2.1 17.8 9.0 11 11 A S T > S+ 0 0 28 1,-0.1 4,-3.1 2,-0.1 5,-0.2 0.459 88.3 93.2 -96.1 -5.8 1.3 17.6 12.8 12 12 A F H X>S+ 0 0 9 -4,-0.7 4,-2.3 2,-0.2 5,-1.5 0.848 84.3 51.1 -59.0 -43.2 0.5 21.3 13.3 13 13 A D H 4>S+ 0 0 77 -4,-0.4 5,-2.4 3,-0.2 6,-0.3 0.972 118.5 36.2 -53.0 -61.4 -3.3 20.9 12.7 14 14 A T H 45S+ 0 0 98 -4,-0.3 -2,-0.2 3,-0.2 -1,-0.1 0.942 122.9 44.3 -60.5 -49.1 -3.7 18.1 15.2 15 15 A D H <5S+ 0 0 45 -4,-3.1 -1,-0.2 3,-0.1 -2,-0.2 0.786 135.8 5.0 -69.5 -33.2 -1.1 19.4 17.7 16 16 A V T ><5S+ 0 0 1 -4,-2.3 3,-0.6 -5,-0.2 68,-0.4 0.744 126.9 48.7-119.5 -54.0 -2.2 23.1 17.7 17 17 A L T 3 - 0 0 0 -2,-0.3 3,-1.2 30,-0.2 6,-0.1 -0.976 31.2-113.3-152.3 156.3 15.7 28.3 13.9 30 30 A E T 3 S+ 0 0 122 -2,-0.3 6,-0.1 1,-0.2 -1,-0.1 0.805 113.1 54.2 -62.6 -35.6 19.1 26.9 14.9 31 31 A W T 3 S+ 0 0 171 4,-0.0 2,-0.8 -3,-0.0 -1,-0.2 0.487 86.6 99.2 -75.9 -4.9 21.1 29.9 13.6 32 32 A a <> - 0 0 6 -3,-1.2 4,-1.7 1,-0.2 -3,-0.2 -0.754 54.4-167.9 -97.7 108.1 19.0 32.3 15.7 33 33 A G H > S+ 0 0 42 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.899 87.9 48.9 -64.9 -46.2 20.8 33.3 18.8 34 34 A P H > S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.867 108.5 56.5 -58.9 -36.6 17.8 35.0 20.6 35 35 A a H > S+ 0 0 1 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.891 111.1 43.7 -57.3 -43.4 15.8 31.9 19.7 36 36 A K H < S+ 0 0 88 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.858 108.0 58.2 -73.9 -33.7 18.4 29.9 21.6 37 37 A M H < S+ 0 0 124 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.877 109.6 44.9 -59.7 -39.0 18.6 32.3 24.5 38 38 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.5 0.637 91.2 85.8 -80.9 -13.7 14.8 31.9 25.1 39 39 A A H X S+ 0 0 22 -4,-0.7 4,-1.2 -3,-0.5 -1,-0.2 0.870 90.0 47.1 -58.9 -46.9 14.9 28.0 24.8 40 40 A P H > S+ 0 0 71 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.789 110.7 54.7 -61.3 -29.6 15.9 27.4 28.5 41 41 A I H > S+ 0 0 26 -3,-0.5 4,-1.9 -4,-0.3 -2,-0.2 0.892 103.9 53.6 -73.7 -38.5 13.2 29.9 29.5 42 42 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.798 103.2 57.8 -64.3 -32.4 10.6 27.9 27.6 43 43 A D H X S+ 0 0 87 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.904 107.7 46.9 -62.7 -44.4 11.6 24.8 29.5 44 44 A E H X S+ 0 0 83 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.868 112.3 49.2 -66.3 -40.7 10.8 26.5 32.8 45 45 A I H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.908 106.0 56.8 -65.1 -46.5 7.4 27.8 31.6 46 46 A A H < S+ 0 0 10 -4,-2.3 -2,-0.2 1,-0.2 4,-0.2 0.892 115.3 38.7 -46.1 -50.4 6.5 24.3 30.3 47 47 A D H >< S+ 0 0 94 -4,-1.6 3,-0.7 2,-0.2 -2,-0.2 0.915 119.3 46.3 -65.1 -50.5 7.0 23.0 33.8 48 48 A E H 3< S+ 0 0 96 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.871 117.8 40.5 -65.2 -38.3 5.5 26.1 35.6 49 49 A Y T >X S+ 0 0 25 -4,-3.4 3,-2.6 -5,-0.1 4,-1.5 0.258 80.4 144.2-100.1 5.6 2.4 26.4 33.5 50 50 A Q T <4 S+ 0 0 123 -3,-0.7 4,-0.1 1,-0.3 -3,-0.1 -0.229 71.8 21.4 -43.1 126.7 1.7 22.6 33.3 51 51 A G T 34 S+ 0 0 88 2,-0.4 -1,-0.3 1,-0.0 3,-0.1 0.438 124.3 57.6 85.1 -0.8 -2.0 22.0 33.3 52 52 A K T <4 S+ 0 0 59 -3,-2.6 -30,-0.4 1,-0.5 2,-0.3 0.510 116.8 4.3-122.2 -21.4 -2.8 25.6 32.1 53 53 A L < - 0 0 11 -4,-1.5 -1,-0.5 -7,-0.2 -2,-0.4 -0.987 57.3-136.2-164.2 147.0 -0.8 25.6 28.9 54 54 A T E - c 0 23A 54 -32,-1.9 -30,-3.4 -2,-0.3 2,-0.4 -0.970 18.7-144.2-114.6 140.4 1.3 23.5 26.5 55 55 A V E + c 0 24A 2 -2,-0.4 -50,-2.5 -52,-0.3 2,-0.3 -0.861 22.8 176.2-102.4 133.3 4.5 24.8 24.9 56 56 A A E -ac 5 25A 0 -32,-2.9 -30,-2.5 -2,-0.4 2,-0.4 -0.962 15.8-148.6-137.5 151.5 5.3 23.7 21.4 57 57 A K E -ac 6 26A 33 -52,-2.0 -50,-2.3 -2,-0.3 2,-0.6 -0.987 5.0-166.6-128.3 127.9 8.2 24.6 19.0 58 58 A L E - c 0 27A 0 -32,-2.4 -30,-1.9 -2,-0.4 2,-0.7 -0.966 14.0-149.2-112.7 120.6 8.1 24.8 15.2 59 59 A N E > - c 0 28A 13 -2,-0.6 4,-2.3 -52,-0.4 -30,-0.2 -0.825 9.1-153.2 -89.8 118.0 11.5 25.0 13.6 60 60 A I T 4 S+ 0 0 37 -32,-2.2 -31,-0.1 -2,-0.7 -1,-0.1 0.444 88.0 49.6 -81.9 -8.2 10.9 27.1 10.5 61 61 A D T 4 S+ 0 0 92 -33,-0.3 -1,-0.2 2,-0.1 -32,-0.1 0.796 116.7 39.8 -89.6 -41.6 13.7 25.6 8.4 62 62 A Q T 4 S+ 0 0 150 1,-0.3 -2,-0.2 -3,-0.1 -53,-0.1 0.817 131.0 32.4 -76.9 -30.5 12.9 22.0 9.0 63 63 A N S >< S+ 0 0 19 -4,-2.3 3,-0.5 -55,-0.1 4,-0.4 -0.721 71.8 164.8-127.1 79.1 9.2 22.9 8.7 64 64 A P T 3 + 0 0 88 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.405 61.0 71.2 -78.3 -1.0 9.0 25.8 6.1 65 65 A G T 3 S+ 0 0 31 1,-0.1 4,-0.4 2,-0.1 -5,-0.1 0.823 89.5 50.9 -89.4 -33.0 5.2 25.6 5.5 66 66 A T S X> S+ 0 0 1 -3,-0.5 3,-0.9 1,-0.2 4,-0.6 0.852 93.7 65.2 -83.2 -40.3 3.5 26.9 8.6 67 67 A A G >4>S+ 0 0 11 -4,-0.4 5,-2.4 1,-0.3 3,-1.1 0.830 98.0 55.6 -57.1 -42.7 5.1 30.2 9.4 68 68 A P G >45S+ 0 0 81 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.787 99.4 62.7 -58.5 -30.6 3.8 32.0 6.2 69 69 A K G <45S+ 0 0 133 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.768 109.3 40.2 -65.4 -24.4 0.3 31.0 7.2 70 70 A Y G <<5S- 0 0 37 -3,-1.1 -1,-0.2 -4,-0.6 76,-0.2 0.207 115.0-114.9-109.5 13.5 0.7 33.2 10.4 71 71 A G T < 5 + 0 0 13 -3,-1.1 2,-0.1 1,-0.2 -2,-0.1 0.738 49.1 178.3 61.7 26.6 2.6 36.0 8.6 72 72 A I < + 0 0 23 -5,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.407 12.4 165.8 -65.6 134.2 5.7 35.3 10.6 73 73 A R + 0 0 225 1,-0.4 2,-0.3 67,-0.2 -1,-0.1 0.461 59.8 19.0-132.1 -10.5 8.5 37.7 9.4 74 74 A G S S- 0 0 36 66,-0.1 -1,-0.4 -47,-0.0 18,-0.1 -0.955 83.9 -85.0-159.8 154.1 11.2 37.5 12.1 75 75 A I S S+ 0 0 32 -2,-0.3 18,-0.2 -3,-0.1 -47,-0.1 -0.894 91.4 38.4-127.3 154.6 12.2 35.0 14.9 76 76 A P S S+ 0 0 2 0, 0.0 16,-3.0 0, 0.0 2,-0.4 0.577 71.7 166.6 -71.3 145.3 11.7 34.2 17.6 77 77 A T E -BD 27 91A 5 -50,-1.5 -50,-2.8 14,-0.2 2,-0.6 -0.999 20.5-157.1-122.3 132.0 8.0 34.8 17.4 78 78 A L E -BD 26 90A 1 12,-3.3 12,-2.2 -2,-0.4 2,-0.6 -0.949 8.1-170.7-108.9 117.0 5.7 33.4 20.2 79 79 A L E -BD 25 89A 0 -54,-2.3 -54,-2.3 -2,-0.6 2,-0.7 -0.936 12.6-148.9-105.7 116.8 2.0 32.9 19.2 80 80 A L E -BD 24 88A 0 8,-2.4 7,-3.4 -2,-0.6 8,-1.1 -0.753 17.0-164.5 -81.6 113.1 -0.4 32.0 22.0 81 81 A F E -BD 23 86A 0 -58,-3.2 -58,-2.3 -2,-0.7 2,-0.5 -0.804 9.5-165.3 -92.7 138.1 -3.2 29.8 20.6 82 82 A K E > S-BD 22 85A 57 3,-2.9 3,-1.9 -2,-0.4 -60,-0.2 -0.978 78.7 -29.2-119.4 112.7 -6.5 29.2 22.4 83 83 A N T 3 S- 0 0 86 -62,-2.0 -61,-0.1 -2,-0.5 -66,-0.1 0.827 129.4 -41.6 48.3 40.7 -8.4 26.3 21.0 84 84 A G T 3 S+ 0 0 19 -68,-0.4 2,-0.4 -63,-0.4 -1,-0.3 0.240 119.6 100.6 99.9 -12.0 -7.0 26.9 17.5 85 85 A E E < S-D 82 0A 59 -3,-1.9 -3,-2.9 118,-0.0 2,-0.4 -0.894 75.7-115.5-110.3 136.2 -7.2 30.7 17.4 86 86 A V E +DE 81 202A 4 116,-0.6 116,-2.0 -2,-0.4 -5,-0.3 -0.558 35.1 170.2 -72.8 121.5 -4.3 33.1 18.0 87 87 A A E + 0 0 18 -7,-3.4 2,-0.3 -2,-0.4 -1,-0.2 0.750 63.4 12.8 -96.5 -31.4 -4.9 35.2 21.1 88 88 A A E -D 80 0A 0 -8,-1.1 -8,-2.4 95,-0.1 2,-0.4 -0.992 58.2-155.6-154.1 149.5 -1.6 36.9 21.5 89 89 A T E -D 79 0A 7 95,-0.5 2,-0.4 -2,-0.3 95,-0.3 -0.992 7.4-178.1-134.3 135.4 1.7 37.6 19.7 90 90 A K E -D 78 0A 57 -12,-2.2 -12,-3.3 -2,-0.4 2,-0.5 -0.961 8.0-164.1-137.6 119.9 5.2 38.3 20.9 91 91 A V E +D 77 0A 51 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.1 -0.901 53.1 12.6-108.3 122.9 8.1 39.0 18.6 92 92 A G S S- 0 0 22 -16,-3.0 -14,-0.1 -2,-0.5 2,-0.1 -0.268 96.1 -45.7 109.0 168.8 11.8 38.9 19.8 93 93 A A + 0 0 42 -18,-0.2 2,-0.3 -2,-0.1 -58,-0.1 -0.390 56.6 173.9 -68.7 152.8 13.6 37.6 22.9 94 94 A L - 0 0 15 -60,-0.2 -2,-0.0 -2,-0.1 2,-0.0 -0.949 31.0-100.8-152.3 161.2 12.2 38.5 26.2 95 95 A S > - 0 0 55 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.254 36.3-103.1 -79.1 172.5 13.1 37.5 29.8 96 96 A K H > S+ 0 0 59 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.971 123.2 51.8 -57.6 -53.6 11.3 34.9 31.9 97 97 A G H > S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.836 110.5 48.5 -48.0 -41.5 9.6 37.7 33.9 98 98 A Q H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 112.1 48.0 -69.3 -46.1 8.4 39.3 30.7 99 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.900 109.3 53.9 -58.0 -46.3 7.1 35.9 29.3 100 100 A K H X S+ 0 0 44 -4,-3.0 4,-3.4 1,-0.2 5,-0.3 0.955 111.3 46.1 -52.4 -51.7 5.3 35.2 32.6 101 101 A E H X S+ 0 0 146 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.841 111.5 50.8 -59.2 -38.6 3.5 38.6 32.4 102 102 A F H X S+ 0 0 29 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.873 116.9 42.3 -67.8 -35.5 2.6 38.0 28.7 103 103 A L H >X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 3,-0.6 0.973 112.6 49.3 -77.1 -56.5 1.2 34.6 29.6 104 104 A D H 3X S+ 0 0 98 -4,-3.4 4,-0.7 1,-0.2 -2,-0.2 0.859 115.2 47.6 -47.0 -40.0 -0.7 35.6 32.8 105 105 A A H 3< S+ 0 0 31 -4,-1.6 -1,-0.2 -5,-0.3 77,-0.2 0.787 117.2 38.8 -78.9 -29.7 -2.2 38.5 31.0 106 106 A N H << S+ 0 0 8 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.544 103.4 68.3-101.8 -4.8 -3.4 36.6 27.9 107 107 A L H < 0 0 45 -4,-1.8 -2,-0.2 -3,-0.1 -1,-0.1 0.743 360.0 360.0 -84.3 -28.1 -4.5 33.4 29.5 108 108 A A < 0 0 111 -4,-0.7 0, 0.0 -5,-0.2 0, 0.0 -0.452 360.0 360.0 -64.3 360.0 -7.4 35.0 31.3 109 !* 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 0.0 110 1 B S 0 0 180 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 52.7 -10.6 53.4 0.5 111 2 B E + 0 0 143 1,-0.2 3,-0.1 3,-0.0 4,-0.0 -0.352 360.0 117.8-135.8 58.6 -12.8 53.7 3.7 112 3 B K S S+ 0 0 81 1,-0.2 2,-0.6 2,-0.0 52,-0.3 0.894 87.6 58.8 -57.6 -52.0 -15.4 51.0 4.1 113 4 B I S S- 0 0 21 -3,-0.2 52,-0.2 50,-0.1 2,-0.2 -0.737 93.3-130.0 -90.3 115.5 -13.1 50.4 7.2 114 5 B I E -f 165 0B 40 50,-1.6 52,-2.8 -2,-0.6 2,-0.7 -0.412 13.1-140.0 -57.8 126.0 -12.7 53.4 9.6 115 6 B H E -f 166 0B 104 50,-0.2 2,-0.2 -2,-0.2 52,-0.2 -0.834 28.6-156.8 -85.4 117.1 -9.1 54.2 10.5 116 7 B L - 0 0 0 50,-3.1 52,-0.5 -2,-0.7 2,-0.3 -0.595 16.7-173.2 -98.5 160.5 -9.1 55.0 14.2 117 8 B T > - 0 0 42 -2,-0.2 4,-1.1 50,-0.1 3,-0.2 -0.910 42.8-105.6-136.2 165.9 -6.9 57.0 16.5 118 9 B D T 4 S+ 0 0 49 -2,-0.3 4,-0.4 1,-0.2 3,-0.2 0.853 123.8 50.8 -57.3 -32.5 -6.8 57.5 20.3 119 10 B D T 4 S+ 0 0 152 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.806 114.5 39.1 -74.6 -35.4 -8.2 60.9 19.6 120 11 B S T > S+ 0 0 27 -3,-0.2 4,-2.9 1,-0.1 5,-0.3 0.430 89.5 92.7 -98.2 -3.0 -11.1 59.8 17.4 121 12 B F H X>S+ 0 0 9 -4,-1.1 4,-2.6 1,-0.2 5,-1.4 0.921 83.7 50.7 -62.6 -48.0 -12.1 56.7 19.3 122 13 B D H 4>S+ 0 0 76 -4,-0.4 5,-1.3 3,-0.2 6,-0.2 0.899 119.3 36.8 -56.5 -46.2 -14.8 58.4 21.5 123 14 B T H 45S+ 0 0 86 -4,-0.3 4,-0.3 3,-0.2 -2,-0.2 0.946 122.2 43.0 -67.7 -51.7 -16.5 60.1 18.5 124 15 B D H <5S+ 0 0 57 -4,-2.9 -2,-0.2 3,-0.1 -3,-0.2 0.737 135.6 8.1 -73.1 -29.8 -16.1 57.2 16.0 125 16 B V T <5S+ 0 0 1 -4,-2.6 68,-0.4 -5,-0.3 -3,-0.2 0.708 127.1 47.0-122.0 -48.8 -17.0 54.3 18.3 126 17 B L T - 0 0 0 -2,-0.3 3,-1.2 3,-0.2 7,-0.1 -0.980 35.2-115.0-156.0 156.8 0.3 46.4 14.6 139 30 B E T 3 S+ 0 0 115 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.860 114.6 55.2 -63.7 -36.2 2.8 46.0 11.7 140 31 B W T 3 S+ 0 0 102 1,-0.1 2,-0.9 -3,-0.1 -1,-0.3 0.538 88.1 92.7 -73.7 -6.0 5.0 43.5 13.7 141 32 B b <> - 0 0 0 -3,-1.2 4,-1.5 1,-0.2 -3,-0.2 -0.789 55.2-172.5 -97.5 100.4 1.9 41.2 14.3 142 33 B G H > S+ 0 0 5 -2,-0.9 4,-2.0 1,-0.2 3,-0.2 0.893 84.5 52.5 -60.8 -48.6 1.7 38.6 11.5 143 34 B P H > S+ 0 0 4 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.864 108.1 54.6 -55.2 -32.7 -1.6 37.1 12.5 144 35 B b H > S+ 0 0 2 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.867 108.9 46.2 -65.4 -41.2 -3.0 40.7 12.4 145 36 B K H < S+ 0 0 64 -4,-1.5 -1,-0.2 1,-0.2 -3,-0.1 0.780 109.8 55.6 -75.0 -26.5 -1.8 41.2 8.9 146 37 B M H < S+ 0 0 86 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.850 108.6 46.7 -72.5 -34.2 -3.2 37.8 7.9 147 38 B I H >X S+ 0 0 9 -4,-1.6 4,-2.2 1,-0.2 3,-0.8 0.645 89.4 88.6 -82.4 -16.7 -6.7 38.7 9.1 148 39 B A H 3X S+ 0 0 26 -4,-0.9 4,-1.1 1,-0.2 3,-0.2 0.927 89.5 43.9 -45.1 -58.9 -6.6 42.1 7.4 149 40 B P H 3> S+ 0 0 74 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.726 111.0 57.6 -66.6 -16.9 -8.0 40.7 4.0 150 41 B I H <> S+ 0 0 37 -3,-0.8 4,-1.9 -4,-0.3 -2,-0.2 0.939 102.8 51.5 -73.0 -48.2 -10.7 38.7 5.9 151 42 B L H X S+ 0 0 1 -4,-2.2 4,-2.4 -3,-0.2 -1,-0.2 0.716 105.1 59.0 -57.0 -27.6 -12.1 41.9 7.6 152 43 B D H X S+ 0 0 77 -4,-1.1 4,-1.1 -5,-0.2 -1,-0.2 0.933 106.3 45.9 -65.2 -49.9 -12.3 43.4 4.1 153 44 B E H X S+ 0 0 98 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.833 115.9 47.2 -59.9 -37.4 -14.6 40.5 3.0 154 45 B I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.880 105.1 58.7 -70.9 -43.1 -16.6 41.0 6.3 155 46 B A H < S+ 0 0 10 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.738 115.1 38.0 -56.9 -28.3 -16.8 44.8 5.9 156 47 B D H >< S+ 0 0 85 -4,-1.1 3,-1.7 2,-0.1 -2,-0.2 0.892 115.7 49.9 -86.8 -50.6 -18.6 44.2 2.5 157 48 B E H 3< S+ 0 0 97 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.798 119.3 37.2 -61.5 -33.0 -20.7 41.2 3.5 158 49 B Y T >X S+ 0 0 11 -4,-2.4 4,-2.1 -5,-0.1 3,-1.7 -0.071 83.4 149.1-110.5 29.6 -22.1 42.8 6.6 159 50 B Q T <4 S+ 0 0 139 -3,-1.7 4,-0.1 1,-0.3 -3,-0.1 -0.382 72.6 15.3 -67.4 141.8 -22.4 46.4 5.2 160 51 B G T 34 S+ 0 0 93 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.556 125.5 63.0 68.8 5.7 -25.2 48.4 6.8 161 52 B K T <4 S+ 0 0 120 -3,-1.7 -30,-0.4 1,-0.4 2,-0.3 0.484 116.0 8.8-121.3 -27.8 -25.3 45.8 9.5 162 53 B L < - 0 0 11 -4,-2.1 -2,-0.4 -7,-0.1 -1,-0.4 -0.997 57.3-144.0-155.4 148.1 -21.8 46.5 10.8 163 54 B T E - h 0 132B 56 -32,-1.9 -30,-3.0 -2,-0.3 2,-0.4 -0.968 17.3-145.8-113.6 136.1 -18.8 48.8 10.5 164 55 B V E - h 0 133B 1 -2,-0.4 -50,-1.6 -52,-0.3 2,-0.3 -0.848 19.2-175.1 -98.9 136.3 -15.3 47.6 10.8 165 56 B A E -fh 114 134B 0 -32,-2.9 -30,-3.1 -2,-0.4 2,-0.4 -0.983 11.7-147.5-134.5 142.8 -12.7 49.9 12.4 166 57 B K E -fh 115 135B 42 -52,-2.8 -50,-3.1 -2,-0.3 2,-0.5 -0.927 8.9-172.6-114.8 131.9 -8.9 49.6 12.9 167 58 B L E - h 0 136B 0 -32,-3.1 -30,-2.2 -2,-0.4 2,-0.6 -0.957 14.5-151.9-120.3 109.6 -6.7 50.8 15.7 168 59 B N E > - h 0 137B 17 -2,-0.5 4,-1.1 -52,-0.5 -30,-0.2 -0.762 10.4-156.5 -74.4 118.3 -3.0 50.4 15.2 169 60 B I T 4 S+ 0 0 38 -32,-2.5 -31,-0.1 -2,-0.6 -1,-0.1 0.478 85.6 60.4 -84.3 -8.9 -1.7 50.1 18.8 170 61 B D T 4 S+ 0 0 86 -33,-0.4 -1,-0.2 1,-0.1 -32,-0.1 0.858 114.8 35.3 -80.8 -40.6 1.8 51.3 18.1 171 62 B Q T 4 S+ 0 0 124 1,-0.3 -2,-0.2 -3,-0.1 -53,-0.2 0.707 131.2 34.4 -82.0 -22.0 0.5 54.7 16.9 172 63 B N < + 0 0 13 -4,-1.1 4,-0.5 -55,-0.1 -1,-0.3 -0.737 64.7 159.5-137.5 82.1 -2.3 54.7 19.4 173 64 B P + 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.532 61.9 72.5 -83.5 -8.8 -1.2 53.0 22.7 174 65 B G S > S+ 0 0 41 2,-0.1 4,-0.6 1,-0.1 -5,-0.1 0.890 91.1 48.8 -76.1 -44.3 -3.9 54.5 24.9 175 66 B T H >> S+ 0 0 12 -3,-0.2 3,-1.7 1,-0.2 4,-0.6 0.930 96.4 62.2 -70.4 -54.4 -7.2 52.8 23.9 176 67 B A H >4>S+ 0 0 7 -4,-0.5 5,-1.6 1,-0.3 3,-1.4 0.835 102.8 52.4 -46.7 -47.8 -6.4 49.0 23.9 177 68 B P H >45S+ 0 0 83 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.750 97.1 68.2 -56.4 -31.6 -5.6 49.0 27.7 178 69 B K H <<5S+ 0 0 95 -3,-1.7 -2,-0.2 -4,-0.6 -3,-0.1 0.704 102.7 46.0 -60.6 -23.3 -8.9 50.7 28.6 179 70 B Y T <<5S- 0 0 69 -3,-1.4 -1,-0.3 -4,-0.6 3,-0.1 0.227 120.5-103.3-109.2 13.3 -10.8 47.6 27.5 180 71 B G T < 5 + 0 0 33 -3,-1.4 2,-0.6 1,-0.2 -2,-0.1 0.719 67.3 157.1 73.4 24.9 -8.6 45.0 29.3 181 72 B I < + 0 0 13 -5,-1.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.741 13.9 169.3 -90.3 116.5 -6.9 44.1 26.0 182 73 B R + 0 0 96 -2,-0.6 2,-0.3 -77,-0.2 -1,-0.1 0.280 58.5 17.3-111.3 8.6 -3.5 42.5 26.7 183 74 B G S S- 0 0 13 -95,-0.1 -1,-0.1 -78,-0.1 -95,-0.1 -0.971 77.3 -82.4-177.7 152.8 -2.4 41.1 23.3 184 75 B I S S+ 0 0 3 -95,-0.3 -95,-0.5 -2,-0.3 -47,-0.1 -0.903 89.3 54.1-125.3 153.7 -3.1 41.2 19.6 185 76 B P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 17,-0.2 0.402 74.4 159.6 -70.1 136.0 -4.8 40.2 17.4 186 77 B T E -G 136 0B 7 -50,-1.2 -50,-3.2 15,-0.1 2,-0.4 -1.000 23.0-169.0-124.7 132.7 -7.9 41.4 19.2 187 78 B L E -GI 135 200B 2 13,-2.9 13,-2.4 -2,-0.4 2,-0.4 -0.969 10.0-170.4-112.0 133.1 -11.3 42.1 17.7 188 79 B L E -G 134 0B 7 -54,-2.4 -54,-2.3 -2,-0.4 2,-0.3 -0.943 11.5-146.3-130.6 110.6 -13.8 43.8 20.0 189 80 B L E -G 133 0B 0 -2,-0.4 7,-2.9 -56,-0.2 8,-1.0 -0.625 17.1-172.5 -74.3 128.0 -17.5 44.2 19.1 190 81 B F E -GJ 132 195B 2 -58,-2.3 -58,-2.6 -2,-0.3 2,-0.4 -0.913 8.7-167.8-114.3 145.5 -19.3 47.4 20.2 191 82 B K E > S-GJ 131 194B 72 3,-2.8 3,-1.7 -2,-0.3 -60,-0.2 -0.997 77.5 -13.3-132.8 132.5 -23.0 48.3 20.0 192 83 B N T 3 S- 0 0 116 -62,-1.0 -63,-0.2 -2,-0.4 -61,-0.1 0.863 130.7 -51.9 40.5 48.3 -24.3 51.8 20.6 193 84 B G T 3 S+ 0 0 16 -63,-0.5 2,-0.3 -68,-0.4 -1,-0.3 0.580 118.9 101.2 74.4 15.2 -20.9 52.8 22.1 194 85 B E E < S-J 191 0B 142 -3,-1.7 -3,-2.8 -69,-0.1 -1,-0.2 -0.959 84.0 -96.2-130.3 144.2 -20.7 49.9 24.6 195 86 B V E -J 190 0B 54 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.418 37.7-173.6 -59.5 128.1 -18.7 46.6 24.5 196 87 B A + 0 0 42 -7,-2.9 2,-0.3 1,-0.2 -6,-0.2 0.727 61.5 9.2-101.0 -28.0 -21.2 44.0 23.2 197 88 B A S S- 0 0 19 -8,-1.0 -1,-0.2 3,-0.0 -8,-0.1 -0.948 89.1 -82.6-144.6 163.9 -19.3 40.7 23.5 198 89 B T - 0 0 120 -2,-0.3 -9,-0.2 1,-0.1 -2,-0.0 -0.397 62.5 -86.8 -66.6 151.6 -16.0 39.5 25.0 199 90 B K - 0 0 69 -11,-0.1 2,-0.3 1,-0.1 -11,-0.2 -0.121 44.6-158.3 -58.6 151.8 -12.9 40.1 22.9 200 91 B V B -I 187 0B 26 -13,-2.4 -13,-2.9 1,-0.1 -1,-0.1 -0.876 6.0-134.9-132.9 164.5 -11.8 37.6 20.3 201 92 B G - 0 0 7 -2,-0.3 2,-1.6 -15,-0.2 -114,-0.2 0.038 62.2 -34.4-100.5-153.9 -8.6 36.7 18.6 202 93 B A B S-E 86 0A 19 -116,-2.0 -116,-0.6 -17,-0.2 2,-0.1 -0.565 70.6-172.6 -75.8 85.6 -7.7 36.0 14.9 203 94 B L - 0 0 8 -2,-1.6 -118,-0.0 -118,-0.1 2,-0.0 -0.430 23.3-115.9 -72.7 149.9 -10.8 34.2 13.8 204 95 B S > - 0 0 50 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.228 35.8-101.0 -70.7 172.9 -11.1 32.6 10.4 205 96 B K H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.930 126.6 49.6 -64.7 -43.0 -13.7 34.0 8.0 206 97 B G H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.947 113.1 45.0 -53.3 -53.9 -16.0 31.1 9.0 207 98 B Q H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.815 109.7 56.2 -63.6 -35.6 -15.6 31.6 12.7 208 99 B L H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.858 106.3 49.5 -68.7 -35.3 -16.0 35.4 12.3 209 100 B K H X S+ 0 0 75 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.893 110.2 51.6 -65.2 -43.2 -19.5 34.8 10.6 210 101 B E H X S+ 0 0 140 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.981 113.7 44.4 -53.3 -59.1 -20.5 32.5 13.5 211 102 B F H X S+ 0 0 28 -4,-2.3 4,-0.9 1,-0.2 3,-0.3 0.936 118.0 42.6 -49.6 -57.5 -19.5 35.1 16.0 212 103 B L H >X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-1.0 0.922 111.5 53.9 -63.2 -45.7 -21.1 38.1 14.2 213 104 B D H 3< S+ 0 0 91 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.816 110.6 49.0 -56.0 -33.1 -24.3 36.1 13.3 214 105 B A H 3< S+ 0 0 67 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.647 119.7 35.1 -79.4 -20.1 -24.8 35.3 17.0 215 106 B N H << S+ 0 0 54 -3,-1.0 -2,-0.2 -4,-0.9 -3,-0.2 0.605 107.7 59.6-116.9 -18.1 -24.3 38.9 18.2 216 107 B L < 0 0 41 -4,-2.7 -3,-0.1 -5,-0.2 -2,-0.1 0.426 360.0 360.0 -84.7 -2.2 -25.8 41.0 15.5 217 108 B A 0 0 137 -5,-0.3 0, 0.0 -4,-0.1 0, 0.0 -0.855 360.0 360.0 -94.3 360.0 -28.9 39.0 16.5