==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 28-JUL-08 3DYR . COMPND 2 MOLECULE: THIOREDOXIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.REN,J.C.A.BARDWELL,Z.XU . 218 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 13.3 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 . 23 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 26.1 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 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 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 G 0 0 96 0, 0.0 39,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.0 27.5 -26.1 3.5 2 2 A S > - 0 0 17 1,-0.2 3,-0.9 2,-0.1 43,-0.0 -0.293 360.0-138.1 -56.7 142.5 30.9 -26.3 1.9 3 3 A D T 3 S+ 0 0 152 1,-0.2 -1,-0.2 41,-0.1 41,-0.0 0.417 101.0 69.8 -81.4 1.6 31.7 -29.7 0.4 4 4 A K T 3 S+ 0 0 75 40,-0.1 2,-0.4 2,-0.1 52,-0.3 0.523 76.9 99.1 -95.3 -7.4 35.2 -29.2 1.9 5 5 A I < - 0 0 11 -3,-0.9 2,-0.6 50,-0.1 52,-0.2 -0.645 69.5-137.9 -83.8 133.9 33.9 -29.6 5.4 6 6 A I E -a 57 0A 65 50,-2.2 52,-3.0 -2,-0.4 2,-0.8 -0.833 10.6-145.9 -93.5 120.4 34.3 -33.1 7.0 7 7 A H E -a 58 0A 116 -2,-0.6 2,-0.2 50,-0.2 52,-0.2 -0.811 21.3-158.3 -89.7 110.6 31.3 -34.1 9.0 8 8 A L E -a 59 0A 5 50,-2.9 52,-0.6 -2,-0.8 2,-0.2 -0.518 7.0-159.6 -87.9 155.2 32.5 -36.1 11.9 9 9 A T > - 0 0 57 -2,-0.2 4,-1.1 50,-0.1 55,-0.1 -0.650 37.4-101.6-118.5-178.6 30.6 -38.6 14.0 10 10 A D T 4 S+ 0 0 19 53,-0.2 4,-0.4 -2,-0.2 54,-0.1 0.866 125.5 45.9 -69.2 -34.6 31.3 -40.0 17.5 11 11 A D T 4 S+ 0 0 115 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.671 115.9 44.2 -82.0 -18.2 32.7 -43.1 15.9 12 12 A S T > S+ 0 0 24 2,-0.1 4,-3.5 1,-0.1 5,-0.4 0.570 86.3 92.0-105.4 -12.7 34.8 -41.3 13.4 13 13 A F H X>S+ 0 0 0 -4,-1.1 4,-3.5 1,-0.2 5,-0.8 0.925 87.5 45.7 -48.6 -58.9 36.3 -38.6 15.6 14 14 A D H 4>S+ 0 0 4 -4,-0.4 5,-0.6 168,-0.4 4,-0.3 0.888 120.3 40.1 -57.2 -43.1 39.5 -40.5 16.6 15 15 A T H 45S+ 0 0 60 -4,-0.3 4,-0.3 3,-0.2 -1,-0.2 0.926 122.4 40.6 -70.1 -46.1 40.2 -41.6 13.1 16 16 A D H <5S+ 0 0 58 -4,-3.5 -2,-0.2 3,-0.1 -3,-0.2 0.859 130.7 20.6 -71.7 -39.4 39.2 -38.3 11.4 17 17 A V T ><5S+ 0 0 1 -4,-3.5 3,-0.8 -5,-0.4 68,-0.5 0.895 125.0 42.2-101.0 -52.1 40.7 -35.8 13.9 18 18 A L T 3 - 0 0 17 -2,-1.6 4,-2.0 -3,-0.2 5,-0.2 -0.744 45.2-168.7-158.5 98.1 21.7 -22.5 17.9 34 34 A G H > S+ 0 0 45 -2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.938 94.8 47.5 -49.7 -57.8 21.7 -18.9 16.8 35 35 A P H > S+ 0 0 49 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.851 109.4 53.1 -55.8 -41.8 25.5 -18.5 17.1 36 36 A a H > S+ 0 0 7 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.888 109.0 51.2 -59.1 -39.8 26.2 -21.8 15.2 37 37 A K H < S+ 0 0 150 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.854 108.6 53.3 -63.5 -35.4 24.0 -20.4 12.5 38 38 A M H < S+ 0 0 112 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.797 110.5 41.5 -78.5 -31.9 26.1 -17.3 12.4 39 39 A I H X S+ 0 0 1 -4,-1.6 4,-3.2 1,-0.1 -1,-0.2 0.532 93.8 88.2 -89.5 -7.2 29.5 -18.7 12.0 40 40 A A H X S+ 0 0 20 -4,-0.8 4,-2.1 -3,-0.3 5,-0.1 0.963 91.6 39.1 -59.9 -58.5 28.4 -21.3 9.5 41 41 A P H > S+ 0 0 68 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.872 115.0 57.2 -61.2 -30.8 28.8 -19.2 6.3 42 42 A I H > S+ 0 0 27 -4,-0.4 4,-1.7 1,-0.2 3,-0.5 0.965 106.5 47.7 -61.2 -50.6 32.0 -17.8 7.9 43 43 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.861 105.7 59.3 -56.2 -39.7 33.4 -21.3 8.2 44 44 A D H X S+ 0 0 38 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.901 106.8 47.1 -55.7 -42.8 32.5 -22.1 4.6 45 45 A E H X S+ 0 0 97 -4,-1.6 4,-2.9 -3,-0.5 -1,-0.2 0.843 110.7 51.4 -71.2 -34.8 34.7 -19.3 3.4 46 46 A I H X S+ 0 0 4 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.897 105.6 55.5 -66.3 -41.2 37.6 -20.4 5.7 47 47 A A H < S+ 0 0 5 -4,-2.8 4,-0.2 2,-0.2 -2,-0.2 0.931 114.5 40.5 -56.0 -44.3 37.3 -23.9 4.3 48 48 A D H >< S+ 0 0 83 -4,-1.6 3,-0.8 -5,-0.2 -2,-0.2 0.946 120.8 42.6 -66.3 -49.8 37.8 -22.4 0.8 49 49 A E H 3< S+ 0 0 138 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.742 118.3 42.7 -74.9 -27.0 40.4 -19.8 1.8 50 50 A Y T >X S+ 0 0 28 -4,-3.2 3,-2.4 -5,-0.2 4,-1.6 0.233 77.2 139.1-104.3 14.1 42.5 -22.1 4.0 51 51 A Q T <4 S+ 0 0 134 -3,-0.8 4,-0.1 1,-0.3 -3,-0.1 -0.347 73.1 25.8 -59.8 135.9 42.5 -25.2 1.8 52 52 A G T 34 S+ 0 0 88 2,-0.3 -1,-0.3 1,-0.0 3,-0.1 0.192 125.8 53.1 91.4 -15.6 46.0 -26.8 1.9 53 53 A K T <4 S+ 0 0 62 -3,-2.4 -30,-0.3 1,-0.4 2,-0.3 0.514 117.6 10.2-122.3 -16.2 46.6 -25.2 5.3 54 54 A L < - 0 0 9 -4,-1.6 2,-0.5 -7,-0.2 -1,-0.4 -0.980 55.5-141.2-164.2 148.9 43.6 -26.4 7.3 55 55 A T E - b 0 24A 59 -32,-2.1 -30,-2.5 -2,-0.3 2,-0.4 -0.981 19.1-145.2-117.5 125.7 40.7 -28.7 7.2 56 56 A V E - b 0 25A 2 -2,-0.5 -50,-2.2 -52,-0.3 2,-0.3 -0.764 22.2-176.3 -89.6 134.3 37.4 -27.6 8.7 57 57 A A E -ab 6 26A 0 -32,-3.1 -30,-3.1 -2,-0.4 2,-0.4 -0.927 14.2-144.2-130.7 151.1 35.3 -30.3 10.4 58 58 A K E -ab 7 27A 22 -52,-3.0 -50,-2.9 -2,-0.3 2,-0.6 -0.967 7.3-168.6-121.1 133.4 31.9 -30.4 12.0 59 59 A L E -ab 8 28A 0 -32,-2.8 -30,-2.2 -2,-0.4 2,-0.8 -0.928 15.2-153.8-112.9 106.1 30.6 -32.4 15.0 60 60 A N E > - b 0 29A 15 -2,-0.6 4,-1.3 -52,-0.6 3,-0.3 -0.687 2.7-162.1 -78.5 108.3 26.9 -32.2 15.3 61 61 A I T 4 S+ 0 0 52 -32,-2.7 -31,-0.2 -2,-0.8 -1,-0.1 0.684 87.5 58.8 -73.4 -17.3 26.0 -32.7 19.0 62 62 A D T 4 S+ 0 0 94 -33,-0.4 -1,-0.2 1,-0.2 -32,-0.1 0.929 117.7 33.4 -64.9 -46.0 22.4 -33.6 18.3 63 63 A Q T 4 S+ 0 0 149 -3,-0.3 -53,-0.2 1,-0.2 -2,-0.2 0.552 129.6 36.8 -88.2 -12.2 23.6 -36.5 16.2 64 64 A N < + 0 0 14 -4,-1.3 4,-0.5 -55,-0.1 3,-0.2 -0.690 61.3 167.6-145.3 86.3 26.7 -37.3 18.2 65 65 A P + 0 0 98 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.569 65.8 64.6 -81.5 -10.0 26.2 -36.8 22.0 66 66 A G S > S+ 0 0 10 1,-0.1 4,-0.7 2,-0.1 -5,-0.1 0.839 88.6 56.3 -87.5 -39.0 29.4 -38.5 23.2 67 67 A T H >> S+ 0 0 0 -3,-0.2 4,-0.7 1,-0.2 3,-0.6 0.887 95.3 63.3 -66.5 -42.6 32.5 -36.5 22.0 68 68 A A H >4>S+ 0 0 11 -4,-0.5 5,-1.6 1,-0.3 3,-1.1 0.852 99.4 51.0 -58.7 -44.1 31.7 -33.0 23.4 69 69 A P H >45S+ 0 0 52 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.872 103.4 62.1 -60.4 -33.3 31.8 -33.9 27.1 70 70 A K H <<5S+ 0 0 1 -4,-0.7 130,-0.3 -3,-0.6 -2,-0.2 0.736 108.1 42.9 -62.8 -23.1 35.2 -35.6 26.6 71 71 A Y T <<5S- 0 0 43 -3,-1.1 -1,-0.3 -4,-0.7 128,-0.1 0.233 115.4-107.9-113.7 12.2 36.7 -32.2 25.5 72 72 A G T < 5 + 0 0 47 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.529 59.0 161.9 78.9 4.8 35.1 -29.9 28.1 73 73 A I < + 0 0 25 -5,-1.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.427 12.0 172.1 -59.8 121.4 32.7 -28.3 25.7 74 74 A R + 0 0 251 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.297 61.2 13.5-113.4 5.0 30.0 -26.6 27.7 75 75 A G S S- 0 0 30 18,-0.0 -1,-0.1 -47,-0.0 -47,-0.1 -0.989 81.4 -68.8-166.6 173.9 28.3 -24.8 24.8 76 76 A T S S+ 0 0 43 -2,-0.3 -40,-0.2 1,-0.2 -47,-0.2 -0.984 98.3 28.8-133.2 140.8 27.8 -24.3 21.1 77 77 A P S S+ 0 0 1 0, 0.0 16,-3.0 0, 0.0 2,-0.4 0.573 73.3 160.1 -80.7 149.9 29.4 -23.3 19.0 78 78 A T E -CD 28 92A 3 -50,-1.0 -50,-2.6 14,-0.2 2,-0.5 -0.997 24.4-152.1-126.9 133.6 32.9 -24.2 20.3 79 79 A L E -CD 27 91A 1 12,-3.4 12,-2.7 -2,-0.4 2,-0.5 -0.913 9.6-170.9-106.4 128.0 35.8 -24.4 17.9 80 80 A L E -CD 26 90A 5 -54,-2.2 -54,-3.2 -2,-0.5 2,-0.6 -0.976 11.4-151.2-114.6 122.1 38.7 -26.6 18.7 81 81 A L E -CD 25 89A 0 8,-2.5 7,-3.7 -2,-0.5 8,-1.0 -0.833 17.7-163.6 -89.4 118.8 41.9 -26.5 16.6 82 82 A F E -CD 24 87A 1 -58,-3.4 -58,-1.8 -2,-0.6 2,-0.3 -0.765 10.8-176.0 -99.4 149.9 43.7 -29.9 16.6 83 83 A K E > S- D 0 86A 34 3,-2.3 3,-2.3 -2,-0.3 -60,-0.1 -0.948 73.1 -23.2-145.9 121.0 47.3 -30.6 15.5 84 84 A N T 3 S- 0 0 133 -2,-0.3 -66,-0.1 1,-0.3 3,-0.1 0.855 130.9 -45.7 42.8 41.3 48.8 -34.0 15.3 85 85 A G T 3 S+ 0 0 31 -68,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.463 116.9 113.1 89.2 2.5 46.2 -35.3 17.8 86 86 A E E < S-D 83 0A 104 -3,-2.3 -3,-2.3 115,-0.1 2,-0.5 -0.888 71.0-123.4-112.5 134.6 46.5 -32.4 20.2 87 87 A V E +D 82 0A 58 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.673 35.2 176.4 -65.5 125.5 44.0 -29.7 21.0 88 88 A A E - 0 0 40 -7,-3.7 2,-0.3 -2,-0.5 -6,-0.2 0.594 57.7 -3.8-111.9 -19.3 46.1 -26.6 20.2 89 89 A A E -D 81 0A 17 -8,-1.0 -8,-2.5 2,-0.0 -1,-0.4 -0.947 59.1-147.8-169.2 158.7 43.6 -23.7 20.8 90 90 A T E -D 80 0A 75 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.990 8.1-175.2-138.0 139.4 39.9 -23.2 21.7 91 91 A K E -D 79 0A 80 -12,-2.7 -12,-3.4 -2,-0.4 2,-0.3 -0.935 10.2-161.9-138.0 117.5 37.3 -20.5 20.8 92 92 A V E +D 78 0A 98 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.744 50.5 5.9 -96.7 141.2 33.8 -20.5 22.3 93 93 A G S S- 0 0 21 -16,-3.0 -14,-0.1 -2,-0.3 -18,-0.0 0.013 96.1 -34.1 89.2 173.0 30.9 -18.6 20.7 94 94 A A + 0 0 50 -18,-0.1 2,-0.3 -16,-0.0 -58,-0.1 -0.337 60.0 172.0 -67.3 150.2 30.1 -16.6 17.6 95 95 A L - 0 0 17 -60,-0.2 2,-0.1 -4,-0.1 -53,-0.1 -0.955 31.8 -97.5-150.2 171.0 32.9 -14.5 16.1 96 96 A S > - 0 0 52 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.405 34.9-111.7 -85.9 167.1 33.6 -12.4 13.0 97 97 A K H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.888 122.4 53.2 -61.1 -37.6 35.5 -13.6 9.9 98 98 A G H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 109.0 47.0 -65.8 -43.2 38.2 -11.2 11.0 99 99 A Q H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 113.1 48.5 -64.4 -39.6 38.3 -12.6 14.5 100 100 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.869 110.8 52.0 -71.9 -34.7 38.4 -16.2 13.2 101 101 A K H X S+ 0 0 27 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.901 110.4 46.8 -64.6 -44.3 41.2 -15.3 10.7 102 102 A E H X S+ 0 0 64 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.907 112.3 51.1 -68.0 -40.7 43.4 -13.7 13.4 103 103 A F H X S+ 0 0 23 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.901 115.6 41.6 -61.1 -42.0 42.8 -16.7 15.7 104 104 A L H X S+ 0 0 0 -4,-2.1 4,-3.5 2,-0.2 5,-0.4 0.933 113.5 50.6 -73.8 -46.6 43.8 -19.1 12.9 105 105 A D H X S+ 0 0 91 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.921 115.6 44.3 -58.7 -44.1 46.8 -17.2 11.5 106 106 A A H X S+ 0 0 66 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.932 121.9 38.0 -62.0 -45.7 48.1 -16.8 15.0 107 107 A N H < S+ 0 0 46 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.741 109.0 56.3 -88.0 -24.9 47.5 -20.5 15.9 108 108 A L H < S+ 0 0 37 -4,-3.5 -1,-0.2 1,-0.2 -3,-0.2 0.888 109.7 49.4 -71.1 -36.5 48.3 -22.4 12.7 109 109 A A H < S+ 0 0 86 -4,-1.0 2,-0.4 -5,-0.4 -2,-0.2 0.774 91.9 89.9 -72.9 -29.9 51.8 -20.8 12.7 110 110 A A < 0 0 58 -4,-0.8 -4,-0.0 -5,-0.1 -22,-0.0 -0.573 360.0 360.0 -73.4 126.3 52.5 -21.7 16.4 111 111 A A 0 0 141 -2,-0.4 -2,-0.1 -28,-0.0 -1,-0.0 -0.552 360.0 360.0-113.1 360.0 54.1 -25.2 16.6 112 !* 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 0.0 113 3 B D 0 0 151 0, 0.0 41,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -5.6 47.6 -53.0 43.8 114 4 B K + 0 0 117 40,-0.1 2,-0.4 2,-0.1 52,-0.2 0.575 360.0 103.8 -93.1 -11.5 45.8 -49.6 43.8 115 5 B I - 0 0 41 50,-0.1 2,-0.4 1,-0.1 52,-0.2 -0.597 68.5-134.4 -78.9 125.8 44.6 -49.8 40.2 116 6 B I E -e 167 0B 59 50,-3.3 52,-2.5 -2,-0.4 2,-0.5 -0.658 10.4-142.1 -85.0 128.8 40.9 -50.7 39.9 117 7 B H E -e 168 0B 86 -2,-0.4 2,-0.2 50,-0.2 52,-0.2 -0.778 22.6-162.4 -92.9 127.1 39.8 -53.4 37.4 118 8 B L - 0 0 10 50,-2.9 52,-0.4 -2,-0.5 2,-0.3 -0.665 13.9-170.1-108.7 160.0 36.6 -52.6 35.6 119 9 B T >> - 0 0 55 -2,-0.2 4,-1.6 50,-0.1 3,-1.1 -0.928 43.9 -98.5-138.1 164.5 34.0 -54.6 33.5 120 10 B D T 34 S+ 0 0 40 -2,-0.3 4,-0.4 1,-0.3 3,-0.2 0.883 124.0 43.2 -51.8 -40.9 31.1 -53.4 31.5 121 11 B D T 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.600 114.4 48.8 -86.0 -9.7 28.6 -54.2 34.3 122 12 B S T X> S+ 0 0 20 -3,-1.1 4,-3.0 1,-0.1 3,-1.0 0.608 89.8 85.7 -95.9 -16.9 30.8 -52.7 37.1 123 13 B F H 3X>S+ 0 0 3 -4,-1.6 4,-2.1 1,-0.3 5,-1.1 0.882 82.3 56.3 -54.7 -45.8 31.5 -49.5 35.3 124 14 B D H 34>S+ 0 0 93 -4,-0.4 5,-1.1 1,-0.2 -1,-0.3 0.773 118.8 30.5 -63.1 -30.3 28.4 -47.7 36.4 125 15 B T H <45S+ 0 0 99 -3,-1.0 -1,-0.2 3,-0.2 -2,-0.2 0.814 119.3 51.3-100.1 -33.9 29.1 -48.2 40.1 126 16 B D H <5S+ 0 0 60 -4,-3.0 -2,-0.2 3,-0.1 -3,-0.2 0.740 133.3 9.2 -68.8 -23.3 32.9 -48.2 40.1 127 17 B V T ><5S+ 0 0 0 -4,-2.1 3,-0.6 -5,-0.3 68,-0.3 0.735 129.4 42.9-127.8 -49.1 32.9 -45.0 38.1 128 18 B L T 3 - 0 0 1 -2,-0.2 3,-1.1 30,-0.2 6,-0.2 -0.960 29.5-123.5-159.1 149.7 44.0 -54.0 24.8 141 31 B E T 3 S+ 0 0 133 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.812 112.0 53.1 -71.3 -33.2 46.9 -56.4 24.9 142 32 B W T 3 S+ 0 0 176 -3,-0.0 2,-0.8 4,-0.0 -1,-0.3 0.455 86.9 105.9 -78.9 1.2 47.8 -56.1 21.2 143 33 B b <> - 0 0 6 -3,-1.1 4,-1.4 1,-0.2 3,-0.5 -0.736 58.2-160.5 -89.7 107.2 47.9 -52.3 21.8 144 34 B G H >> S+ 0 0 47 -2,-0.8 4,-1.7 1,-0.2 3,-0.6 0.910 87.8 45.1 -51.9 -60.8 51.6 -51.1 21.8 145 35 B P H 3> S+ 0 0 46 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.771 106.4 64.9 -58.7 -24.9 51.3 -47.7 23.6 146 36 B b H 3> S+ 0 0 6 -3,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.918 102.1 46.9 -62.8 -45.0 49.0 -49.4 26.1 147 37 B K H X< S+ 0 0 156 -4,-1.4 3,-0.7 -3,-0.6 -1,-0.2 0.956 112.6 50.5 -60.8 -49.1 51.9 -51.6 27.3 148 38 B M H 3< S+ 0 0 149 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.815 111.3 48.2 -54.8 -35.6 54.2 -48.6 27.4 149 39 B I H 3X S+ 0 0 2 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.722 94.2 77.1 -85.6 -18.7 51.7 -46.6 29.5 150 40 B A H S+ 0 0 67 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.797 115.1 50.6 -64.6 -27.8 54.2 -49.0 34.1 152 42 B I H > S+ 0 0 35 -4,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.859 108.6 49.4 -76.0 -38.9 53.7 -45.2 34.1 153 43 B L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.850 105.3 61.0 -63.9 -32.5 50.1 -45.6 35.2 154 44 B D H X S+ 0 0 87 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.886 109.8 40.4 -57.1 -40.5 51.6 -47.9 37.9 155 45 B E H >X S+ 0 0 84 -4,-1.0 4,-3.3 2,-0.2 3,-0.7 0.901 112.6 53.0 -76.5 -44.2 53.6 -44.8 39.1 156 46 B I H 3X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 -2,-0.2 0.895 105.4 56.3 -56.6 -39.9 50.7 -42.3 38.7 157 47 B A H 3< S+ 0 0 6 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.786 114.4 38.9 -66.7 -25.8 48.5 -44.5 40.8 158 48 B D H X< S+ 0 0 91 -3,-0.7 3,-0.9 -4,-0.6 -2,-0.2 0.853 116.9 49.8 -88.9 -39.1 51.1 -44.4 43.6 159 49 B E H 3< S+ 0 0 99 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.791 116.1 40.4 -71.4 -30.4 52.0 -40.7 43.1 160 50 B Y T >X S+ 0 0 32 -4,-2.6 4,-2.6 -5,-0.2 3,-2.1 0.110 80.4 152.2-107.9 21.2 48.4 -39.4 43.1 161 51 B Q T <4 + 0 0 57 -3,-0.9 4,-0.1 1,-0.3 -3,-0.1 -0.250 69.2 19.4 -57.5 131.3 47.0 -41.6 45.9 162 52 B G T 34 S+ 0 0 92 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.418 126.7 55.5 88.1 -2.8 44.1 -40.0 47.7 163 53 B K T <4 S+ 0 0 64 -3,-2.1 -30,-0.7 1,-0.4 2,-0.4 0.603 114.5 17.9-122.2 -45.8 43.6 -37.6 44.9 164 54 B L E < - f 0 133B 9 -4,-2.6 2,-0.4 -8,-0.1 -1,-0.4 -0.996 61.5-151.9-134.5 135.9 43.1 -39.8 41.8 165 55 B T E - f 0 134B 43 -32,-2.1 -30,-2.7 -2,-0.4 2,-0.4 -0.895 17.8-136.4-106.9 135.0 42.2 -43.5 41.4 166 56 B V E - f 0 135B 1 -2,-0.4 -50,-3.3 -52,-0.2 2,-0.4 -0.720 23.3-176.7 -95.1 136.8 43.4 -45.4 38.3 167 57 B A E -ef 116 136B 0 -32,-2.8 -30,-3.4 -2,-0.4 2,-0.4 -0.990 9.1-158.0-137.2 139.0 41.0 -47.8 36.6 168 58 B K E -ef 117 137B 47 -52,-2.5 -50,-2.9 -2,-0.4 2,-0.4 -0.943 7.3-175.5-120.9 141.8 41.4 -50.1 33.6 169 59 B L E - f 0 138B 0 -32,-2.0 -30,-2.2 -2,-0.4 2,-0.7 -0.980 20.4-142.4-132.8 118.7 38.9 -51.6 31.2 170 60 B N E >> - f 0 139B 21 -52,-0.4 4,-1.9 -2,-0.4 3,-0.9 -0.725 8.8-159.6 -80.7 114.1 40.0 -54.2 28.6 171 61 B I T 34 S+ 0 0 37 -32,-2.5 -1,-0.2 -2,-0.7 -31,-0.1 0.749 86.9 64.7 -73.2 -20.7 38.0 -53.4 25.5 172 62 B D T 34 S+ 0 0 94 -33,-0.5 -1,-0.3 1,-0.2 -32,-0.1 0.828 115.8 31.7 -64.6 -32.7 38.6 -56.9 23.9 173 63 B Q T <4 S+ 0 0 151 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.710 122.1 49.6 -95.0 -24.7 36.6 -58.3 26.9 174 64 B N < + 0 0 15 -4,-1.9 4,-0.5 1,-0.1 3,-0.3 -0.807 55.6 165.7-124.2 89.2 34.2 -55.4 27.5 175 65 B P + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.695 64.7 68.5 -78.4 -16.1 32.5 -54.3 24.3 176 66 B G S S+ 0 0 46 1,-0.1 4,-0.4 2,-0.1 -5,-0.0 0.820 91.6 48.6 -79.1 -37.2 29.8 -52.2 26.0 177 67 B T S >> S+ 0 0 12 -3,-0.3 3,-1.8 1,-0.2 4,-0.6 0.959 100.3 57.7 -75.7 -51.8 31.4 -49.2 27.6 178 68 B A G >4>S+ 0 0 10 -4,-0.5 5,-1.7 1,-0.3 3,-1.6 0.854 97.3 61.7 -51.3 -43.0 33.7 -47.6 24.9 179 69 B P G >45S+ 0 0 82 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.804 97.0 63.8 -55.9 -25.7 30.9 -47.1 22.3 180 70 B K G <45S+ 0 0 60 -3,-1.8 -2,-0.2 -4,-0.4 -3,-0.1 0.842 109.6 35.6 -64.9 -33.3 29.3 -44.8 24.9 181 71 B Y G <<5S- 0 0 33 -3,-1.6 -1,-0.2 -4,-0.6 3,-0.1 0.214 111.1-110.8-111.0 16.2 32.2 -42.3 24.8 182 72 B G T < 5 + 0 0 1 -3,-0.8 2,-0.5 -4,-0.4 -168,-0.4 0.786 57.5 169.5 59.1 28.6 33.1 -42.6 21.1 183 73 B I < + 0 0 18 -5,-1.7 -1,-0.2 1,-0.2 -2,-0.1 -0.633 16.8 138.3 -75.0 117.9 36.4 -44.3 22.2 184 74 B R + 0 0 145 -2,-0.5 -1,-0.2 -3,-0.1 2,-0.1 0.635 50.1 74.5-126.3 -47.7 38.2 -45.7 19.1 185 75 B G S S- 0 0 18 2,-0.1 -47,-0.1 18,-0.0 -1,-0.1 -0.413 83.5-106.8 -67.6 144.7 41.8 -45.0 19.6 186 76 B T S S+ 0 0 29 1,-0.2 18,-0.2 -2,-0.1 -47,-0.1 -0.972 93.3 30.5-127.8 144.0 43.8 -47.0 22.2 187 77 B P S S- 0 0 0 0, 0.0 16,-2.7 0, 0.0 2,-0.5 0.638 76.0-179.4 -77.6 158.5 44.8 -46.4 24.8 188 78 B T E -GH 138 202B 0 -50,-1.6 -50,-3.3 14,-0.2 2,-0.6 -0.987 13.6-157.8-117.3 123.4 42.2 -43.9 25.8 189 79 B L E -GH 137 201B 0 12,-3.0 12,-2.0 -2,-0.5 2,-0.5 -0.899 10.9-167.6 -93.6 125.8 42.5 -42.3 29.2 190 80 B L E -GH 136 200B 0 -54,-3.0 -54,-2.5 -2,-0.6 2,-0.4 -0.954 8.8-149.1-119.0 111.5 39.1 -40.9 30.2 191 81 B L E -GH 135 199B 1 8,-3.0 7,-2.7 -2,-0.5 8,-1.0 -0.646 12.2-164.2 -82.7 129.6 39.1 -38.6 33.2 192 82 B F E -GH 134 197B 1 -58,-2.4 -58,-1.5 -2,-0.4 2,-0.4 -0.921 7.8-169.9-113.4 142.9 36.0 -38.6 35.4 193 83 B K E > S-GH 133 196B 45 3,-3.6 3,-1.0 -2,-0.4 -60,-0.2 -0.921 76.8 -20.2-133.9 107.8 35.1 -36.0 38.0 194 84 B N T 3 S- 0 0 116 -62,-2.3 -63,-0.1 -2,-0.4 -61,-0.1 0.884 129.7 -48.5 61.1 40.7 32.2 -36.7 40.4 195 85 B G T 3 S+ 0 0 12 -63,-0.4 2,-0.4 -68,-0.3 -1,-0.2 0.354 120.8 107.7 86.6 -5.1 30.8 -39.4 38.0 196 86 B E E < S-H 193 0B 135 -3,-1.0 -3,-3.6 -69,-0.0 -1,-0.2 -0.871 75.4-109.8-115.2 138.2 31.1 -37.1 35.0 197 87 B V E +H 192 0B 37 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.383 41.3 162.7 -59.2 134.9 33.4 -37.1 32.1 198 88 B A E - 0 0 31 -7,-2.7 2,-0.3 1,-0.4 -6,-0.2 0.698 54.7 -6.9-123.1 -45.0 35.9 -34.2 32.2 199 89 B A E -H 191 0B 8 -8,-1.0 -8,-3.0 -128,-0.1 -1,-0.4 -0.967 53.2-153.5-157.3 165.4 38.8 -34.8 29.9 200 90 B T E -H 190 0B 11 -130,-0.3 2,-0.3 -2,-0.3 -10,-0.2 -0.987 7.0-165.6-148.5 151.4 40.5 -37.3 27.6 201 91 B K E -H 189 0B 81 -12,-2.0 -12,-3.0 -2,-0.3 2,-0.4 -0.993 14.9-162.4-136.8 140.4 43.9 -38.4 26.1 202 92 B V E -H 188 0B 42 -2,-0.3 -14,-0.2 -117,-0.2 -16,-0.1 -0.974 45.5 -2.6-130.0 134.5 44.3 -40.8 23.2 203 93 B G S S- 0 0 19 -16,-2.7 -14,-0.1 -2,-0.4 -2,-0.0 -0.338 102.4 -5.2 88.7-168.9 47.3 -42.8 22.0 204 94 B A + 0 0 71 -18,-0.2 2,-0.3 -2,-0.1 -2,-0.1 -0.265 68.2 169.7 -63.6 140.5 50.9 -43.0 23.1 205 95 B L - 0 0 25 -60,-0.2 2,-0.2 -4,-0.1 -2,-0.0 -0.998 28.4-123.7-153.6 156.0 52.0 -40.6 25.8 206 96 B S > - 0 0 50 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.521 33.1-110.5 -95.0 163.4 54.8 -39.8 28.2 207 97 B K H > S+ 0 0 64 1,-0.2 4,-3.4 2,-0.2 5,-0.1 0.833 122.1 53.6 -61.3 -31.2 54.7 -39.6 31.9 208 98 B G H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.881 109.0 45.5 -71.0 -41.2 55.3 -35.8 31.4 209 99 B Q H > S+ 0 0 94 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.904 116.8 48.2 -65.8 -40.5 52.4 -35.5 29.0 210 100 B L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 3,-0.4 0.965 109.8 50.7 -62.3 -52.9 50.3 -37.5 31.5 211 101 B K H X S+ 0 0 74 -4,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.833 112.8 45.2 -57.7 -37.4 51.4 -35.5 34.5 212 102 B E H X S+ 0 0 127 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.756 108.9 57.3 -79.0 -25.8 50.5 -32.2 32.9 213 103 B F H < S+ 0 0 15 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.921 112.2 40.8 -67.2 -43.9 47.2 -33.5 31.6 214 104 B L H >X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 3,-1.3 0.904 113.0 54.0 -71.3 -41.8 46.1 -34.5 35.2 215 105 B D H 3X S+ 0 0 80 -4,-1.8 4,-1.8 1,-0.3 3,-0.2 0.897 108.6 48.5 -59.3 -43.2 47.4 -31.3 36.8 216 106 B A H 3< S+ 0 0 78 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.465 120.6 40.2 -76.1 -1.5 45.5 -29.0 34.4 217 107 B N H <4 S+ 0 0 67 -3,-1.3 -2,-0.2 -4,-0.1 -1,-0.2 0.522 122.9 33.2-122.3 -13.1 42.4 -31.1 35.2 218 108 B L H < 0 0 67 -4,-1.8 -3,-0.2 -3,-0.2 -2,-0.2 0.685 360.0 360.0-112.9 -32.4 42.6 -31.8 38.9 219 109 B A < 0 0 119 -4,-1.8 -4,-0.0 -5,-0.4 0, 0.0 -0.199 360.0 360.0-127.9 360.0 44.3 -28.6 40.2