==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 25-NOV-05 2F51 . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHOMONAS VAGINALIS; . AUTHOR J.IULEK,M.S.ALPHEY,W.N.HUNTER . 222 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 14.4 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 . 2 0.9 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 . 31 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 30.6 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+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 0 0 2 0 0 0 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 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 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 2 A S 0 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.4 2.1 -14.4 -24.5 2 3 A D - 0 0 100 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.409 360.0-168.2 -55.5 115.0 2.2 -12.1 -21.4 3 4 A P + 0 0 55 0, 0.0 53,-0.4 0, 0.0 2,-0.2 0.711 55.5 98.5 -82.5 -18.3 -1.5 -11.6 -20.5 4 5 A I S S- 0 0 10 51,-0.1 2,-0.6 1,-0.1 53,-0.2 -0.488 71.5-134.2 -73.9 133.9 -0.9 -8.7 -18.1 5 6 A V E -a 57 0A 31 51,-3.0 53,-3.0 -2,-0.2 2,-1.0 -0.806 12.3-158.2 -87.8 116.3 -1.4 -5.2 -19.4 6 7 A H E -a 58 0A 103 -2,-0.6 53,-0.1 51,-0.2 2,-0.1 -0.822 23.2-148.7 -96.7 92.9 1.5 -3.0 -18.3 7 8 A F E +a 59 0A 17 51,-2.1 53,-0.5 -2,-1.0 2,-0.3 -0.383 24.9 174.8 -75.9 141.6 -0.1 0.3 -18.5 8 9 A N + 0 0 100 -2,-0.1 2,-0.3 51,-0.1 56,-0.1 -0.943 39.8 62.5-143.7 117.2 1.6 3.6 -19.4 9 10 A G S S- 0 0 31 -2,-0.3 58,-0.4 54,-0.1 57,-0.1 -0.976 75.9 -45.0 160.7-169.8 -0.3 6.8 -19.9 10 11 A T > - 0 0 84 -2,-0.3 4,-2.3 56,-0.1 5,-0.1 -0.248 56.7 -98.2 -83.7 172.4 -2.5 9.5 -18.5 11 12 A H H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.929 127.0 48.0 -55.7 -48.9 -5.6 9.2 -16.4 12 13 A E H > S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.907 109.5 53.1 -62.0 -40.5 -7.8 9.6 -19.5 13 14 A A H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 109.6 49.4 -58.2 -42.4 -5.7 7.0 -21.3 14 15 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 110.7 49.2 -61.8 -49.0 -6.3 4.6 -18.4 15 16 A L H X S+ 0 0 31 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.916 112.3 48.2 -58.5 -44.4 -10.0 5.2 -18.4 16 17 A N H X S+ 0 0 72 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.891 109.9 51.8 -63.6 -38.7 -10.2 4.6 -22.2 17 18 A R H X S+ 0 0 65 -4,-2.3 4,-0.6 2,-0.2 3,-0.4 0.896 108.7 51.0 -64.5 -42.3 -8.1 1.4 -21.9 18 19 A I H >< S+ 0 0 1 -4,-2.4 3,-1.4 1,-0.2 66,-0.3 0.928 108.7 52.1 -58.1 -44.7 -10.5 0.1 -19.2 19 20 A K H 3< S+ 0 0 51 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.683 100.7 63.1 -69.3 -19.3 -13.5 0.8 -21.5 20 21 A E H 3< S+ 0 0 131 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.680 81.4 105.5 -72.9 -19.7 -11.7 -1.2 -24.3 21 22 A A << - 0 0 9 -3,-1.4 63,-0.2 -4,-0.6 4,-0.1 -0.319 67.4-143.3 -65.0 141.7 -12.0 -4.4 -22.2 22 23 A P S S- 0 0 128 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.737 76.4 -16.3 -76.1 -22.6 -14.6 -7.0 -23.2 23 24 A G S S+ 0 0 19 1,-0.3 61,-0.4 30,-0.1 31,-0.1 -0.411 109.3 3.1-146.8-138.9 -15.5 -7.9 -19.6 24 25 A L - 0 0 9 29,-0.3 31,-2.5 -2,-0.1 2,-0.4 -0.288 57.4-163.4 -59.7 143.5 -14.3 -7.7 -16.0 25 26 A V E -bC 55 82A 0 57,-2.6 57,-2.5 29,-0.2 2,-0.5 -0.993 12.9-158.3-132.3 140.8 -11.1 -5.8 -15.3 26 27 A L E -bC 56 81A 1 29,-2.5 31,-3.2 -2,-0.4 2,-0.5 -0.988 11.0-162.7-110.0 121.1 -8.8 -5.8 -12.4 27 28 A V E -bC 57 80A 0 53,-2.6 53,-1.9 -2,-0.5 2,-0.6 -0.928 3.5-166.4-104.2 124.6 -6.6 -2.7 -12.1 28 29 A D E -bC 58 79A 0 29,-3.1 31,-2.8 -2,-0.5 2,-0.6 -0.934 3.3-164.0-114.3 104.8 -3.6 -3.0 -9.7 29 30 A F E +bC 59 78A 0 49,-2.8 49,-2.3 -2,-0.6 2,-0.3 -0.816 30.3 155.2 -86.0 124.8 -1.9 0.2 -8.7 30 31 A F E -b 60 0A 27 29,-1.9 31,-2.8 -2,-0.6 32,-0.4 -0.869 39.7-137.0-144.9 164.1 1.5 -0.7 -7.3 31 32 A A > - 0 0 0 -2,-0.3 3,-1.1 29,-0.2 6,-0.1 -0.975 23.5-130.2-125.3 148.4 5.1 0.5 -6.6 32 33 A T T 3 S+ 0 0 87 -2,-0.3 -1,-0.0 1,-0.2 6,-0.0 0.711 107.1 52.8 -70.3 -22.5 8.2 -1.7 -7.3 33 34 A W T 3 S+ 0 0 167 4,-0.0 2,-0.5 5,-0.0 -1,-0.2 0.506 85.6 103.2 -89.8 -7.4 9.6 -1.0 -3.8 34 35 A a <> - 0 0 12 -3,-1.1 4,-2.3 1,-0.1 5,-0.2 -0.683 62.4-151.4 -84.7 121.2 6.4 -2.1 -2.0 35 36 A G H > S+ 0 0 7 -2,-0.5 4,-2.4 2,-0.2 5,-0.2 0.936 95.1 45.5 -59.2 -56.3 6.6 -5.6 -0.4 36 37 A P H > S+ 0 0 37 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.886 114.3 52.2 -53.9 -40.4 2.9 -6.5 -0.6 37 38 A a H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.894 109.2 49.2 -60.0 -44.4 2.9 -5.2 -4.2 38 39 A Q H X S+ 0 0 55 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.908 111.9 48.1 -62.2 -43.1 5.9 -7.4 -5.1 39 40 A R H X S+ 0 0 8 -4,-2.4 4,-0.7 146,-0.2 3,-0.3 0.898 113.4 46.8 -69.5 -40.6 4.3 -10.4 -3.5 40 41 A L H >X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-1.0 0.908 108.1 58.2 -62.0 -43.0 1.0 -9.8 -5.4 41 42 A G H 3< S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.759 99.4 58.1 -60.4 -26.9 3.0 -9.2 -8.6 42 43 A Q H 3< S+ 0 0 105 -4,-1.1 -1,-0.2 -3,-0.3 4,-0.2 0.796 115.3 34.1 -75.5 -26.3 4.6 -12.7 -8.5 43 44 A I H XX S+ 0 0 38 -3,-1.0 4,-1.7 -4,-0.7 3,-0.6 0.673 96.2 82.3-103.9 -17.6 1.2 -14.4 -8.5 44 45 A L H 3X S+ 0 0 2 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.888 86.0 58.9 -55.3 -43.3 -0.9 -12.2 -10.8 45 46 A P H 3> S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.898 106.1 48.8 -56.7 -39.3 0.5 -13.7 -14.0 46 47 A S H <> S+ 0 0 83 -3,-0.6 4,-1.6 -4,-0.2 -2,-0.2 0.892 112.8 47.1 -63.4 -43.0 -0.8 -17.1 -13.0 47 48 A I H X S+ 0 0 12 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.911 113.6 49.6 -64.1 -41.3 -4.3 -15.7 -12.1 48 49 A A H >< S+ 0 0 1 -4,-3.1 3,-0.7 1,-0.2 6,-0.2 0.879 108.0 52.3 -65.1 -40.9 -4.3 -13.8 -15.4 49 50 A E H 3< S+ 0 0 143 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.838 111.9 46.5 -64.3 -36.2 -3.3 -16.9 -17.4 50 51 A A H 3< S+ 0 0 78 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.517 115.7 46.7 -82.6 -9.9 -6.2 -18.9 -15.9 51 52 A N X< + 0 0 39 -3,-0.7 3,-1.9 -4,-0.6 -1,-0.2 -0.556 59.0 158.3-134.3 68.3 -8.8 -16.1 -16.4 52 53 A K T 3 S+ 0 0 180 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.672 72.0 68.5 -69.8 -18.0 -8.3 -14.9 -20.0 53 54 A D T 3 S+ 0 0 96 -3,-0.1 2,-0.4 -31,-0.1 -29,-0.3 0.565 94.4 69.7 -72.9 -10.7 -11.9 -13.5 -19.9 54 55 A V S < S- 0 0 11 -3,-1.9 2,-0.6 -6,-0.2 -29,-0.2 -0.903 79.1-137.1-111.6 139.6 -10.6 -10.9 -17.3 55 56 A T E - b 0 25A 20 -31,-2.5 -29,-2.5 -2,-0.4 2,-0.6 -0.855 13.8-156.9 -99.4 121.2 -8.3 -8.0 -18.2 56 57 A F E - b 0 26A 3 -2,-0.6 -51,-3.0 -53,-0.4 2,-0.5 -0.900 10.6-171.8-103.4 115.3 -5.5 -7.5 -15.7 57 58 A I E -ab 5 27A 1 -31,-3.2 -29,-3.1 -2,-0.6 2,-0.5 -0.933 5.4-163.2-113.7 118.2 -4.1 -3.9 -15.8 58 59 A K E -ab 6 28A 36 -53,-3.0 -51,-2.1 -2,-0.5 2,-0.5 -0.858 3.4-168.6-101.8 131.1 -1.0 -3.0 -13.7 59 60 A V E -ab 7 29A 0 -31,-2.8 -29,-1.9 -2,-0.5 2,-0.5 -0.930 13.6-147.4-125.4 104.8 -0.3 0.7 -13.2 60 61 A D E > - b 0 30A 23 -2,-0.5 4,-2.1 -53,-0.5 3,-0.3 -0.598 8.8-152.5 -72.2 118.2 3.1 1.6 -11.7 61 62 A V T 4 S+ 0 0 29 -31,-2.8 -1,-0.2 -2,-0.5 -30,-0.1 0.721 90.9 56.9 -71.4 -23.3 2.4 4.7 -9.6 62 63 A D T 4 S+ 0 0 107 -32,-0.4 3,-0.4 2,-0.1 -1,-0.2 0.830 116.6 33.0 -74.4 -35.9 6.0 6.0 -10.0 63 64 A K T 4 S+ 0 0 134 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.679 128.7 39.1 -93.2 -17.7 5.8 6.1 -13.8 64 65 A N X + 0 0 9 -4,-2.1 4,-2.3 1,-0.1 -1,-0.2 -0.392 69.9 144.3-127.8 55.2 2.1 6.9 -14.0 65 66 A G H > S+ 0 0 21 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.878 71.6 51.4 -61.3 -44.4 1.7 9.4 -11.1 66 67 A N H > S+ 0 0 132 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 111.2 48.1 -61.9 -44.4 -0.9 11.5 -12.8 67 68 A A H > S+ 0 0 0 -58,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.944 116.3 43.4 -59.5 -49.8 -3.1 8.5 -13.6 68 69 A A H <>S+ 0 0 1 -4,-2.3 5,-2.5 2,-0.2 4,-0.5 0.912 115.4 47.4 -63.4 -46.7 -2.8 7.2 -10.0 69 70 A D H ><5S+ 0 0 117 -4,-2.8 3,-0.8 1,-0.2 -1,-0.2 0.909 114.6 46.8 -64.6 -40.4 -3.3 10.6 -8.4 70 71 A A H 3<5S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.781 107.6 56.9 -72.8 -28.0 -6.3 11.4 -10.6 71 72 A Y T 3<5S- 0 0 41 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.545 119.6-112.2 -78.8 -8.7 -7.8 7.9 -9.9 72 73 A G T < 5 + 0 0 59 -3,-0.8 2,-0.2 -4,-0.5 -3,-0.2 0.635 59.7 159.4 88.8 20.2 -7.7 8.7 -6.2 73 74 A V < + 0 0 19 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.518 7.8 146.4 -80.4 136.7 -5.0 6.2 -5.2 74 75 A S + 0 0 108 1,-0.5 -1,-0.1 -2,-0.2 4,-0.1 0.389 60.8 39.8-127.3 -82.1 -3.1 6.8 -2.0 75 76 A S S S- 0 0 74 2,-0.1 -1,-0.5 1,-0.0 22,-0.1 -0.344 91.0 -90.1 -72.6 154.3 -2.1 3.5 -0.2 76 77 A I S S+ 0 0 34 1,-0.1 -46,-0.1 20,-0.1 22,-0.1 -0.858 92.4 31.5-133.3 160.6 -0.9 0.5 -2.2 77 78 A P S S- 0 0 0 0, 0.0 20,-2.6 0, 0.0 2,-0.6 0.613 75.3-170.5 -71.0 139.8 -1.4 -2.0 -3.7 78 79 A A E -CD 29 96A 4 -49,-2.3 -49,-2.8 18,-0.2 2,-0.4 -0.936 1.2-165.6-108.3 116.7 -4.7 -0.5 -4.7 79 80 A L E -CD 28 95A 1 16,-3.0 16,-2.0 -2,-0.6 2,-0.4 -0.847 9.3-178.9-105.4 138.2 -7.1 -2.9 -6.4 80 81 A F E -CD 27 94A 22 -53,-1.9 -53,-2.6 -2,-0.4 2,-0.6 -0.979 15.1-157.0-136.9 122.0 -10.2 -2.1 -8.3 81 82 A F E +CD 26 93A 0 12,-2.9 11,-3.0 -2,-0.4 12,-1.5 -0.913 33.4 164.8 -94.5 118.1 -12.6 -4.6 -10.0 82 83 A V E -CD 25 91A 0 -57,-2.5 -57,-2.6 -2,-0.6 2,-0.3 -0.868 24.1-167.0-133.2 163.9 -14.4 -2.6 -12.7 83 84 A K E - D 0 90A 76 7,-2.1 7,-3.1 -2,-0.3 2,-0.2 -0.982 33.8-102.8-152.4 139.5 -16.5 -3.2 -15.7 84 85 A K E - D 0 89A 107 -61,-0.4 2,-0.4 -2,-0.3 5,-0.2 -0.483 33.9-173.6 -63.9 133.1 -17.7 -0.9 -18.6 85 86 A E E > - D 0 88A 117 3,-4.2 3,-2.4 -2,-0.2 2,-0.2 -0.925 60.7 -56.2-133.3 100.6 -21.3 0.1 -18.2 86 87 A G T 3 S- 0 0 65 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.472 119.3 -25.0 60.2-125.9 -22.6 2.0 -21.2 87 88 A N T 3 S+ 0 0 126 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.129 131.6 76.4 -99.7 18.4 -20.1 4.9 -21.5 88 89 A E E < S-D 85 0A 136 -3,-2.4 -3,-4.2 -69,-0.0 2,-0.5 -0.860 79.4-118.8-126.1 161.0 -19.2 4.8 -17.8 89 90 A I E -D 84 0A 41 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.893 22.0-153.0-102.8 125.1 -17.1 2.5 -15.6 90 91 A K E -D 83 0A 78 -7,-3.1 -7,-2.1 -2,-0.5 2,-0.6 -0.857 9.4-142.7 -95.4 129.1 -18.9 0.6 -12.8 91 92 A T E +D 82 0A 56 -2,-0.5 -9,-0.3 -9,-0.2 3,-0.1 -0.850 19.3 179.1 -94.9 122.9 -16.7 -0.4 -9.8 92 93 A L E - 0 0 44 -11,-3.0 2,-0.3 -2,-0.6 -10,-0.2 0.783 67.5 -9.7 -94.2 -35.7 -17.6 -3.8 -8.4 93 94 A D E -D 81 0A 36 -12,-1.5 -12,-2.9 2,-0.0 -1,-0.4 -0.973 59.9-174.4-158.3 154.9 -15.1 -4.0 -5.6 94 95 A Q E +D 80 0A 115 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.976 13.8 149.2-153.8 144.4 -12.1 -2.1 -4.3 95 96 A F E -D 79 0A 21 -16,-2.0 -16,-3.0 -2,-0.3 2,-0.4 -0.976 36.7-118.8-165.6 163.4 -9.6 -2.5 -1.6 96 97 A V E +D 78 0A 85 -2,-0.3 -18,-0.2 -18,-0.2 2,-0.1 -0.933 69.4 50.3-111.1 135.6 -6.0 -1.9 -0.6 97 98 A G S S- 0 0 20 -20,-2.6 2,-2.0 -2,-0.4 -18,-0.1 -0.227 92.0 -76.5 118.4 156.5 -3.6 -4.7 0.2 98 99 A A + 0 0 13 -22,-0.1 2,-1.8 -2,-0.1 3,-0.2 -0.359 59.5 161.3 -84.7 58.6 -2.3 -8.0 -1.4 99 100 A D > + 0 0 70 -2,-2.0 4,-1.9 1,-0.2 3,-0.3 -0.594 7.7 172.5 -84.4 83.2 -5.5 -9.9 -0.5 100 101 A V H > S+ 0 0 0 -2,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.867 73.4 56.0 -61.6 -40.2 -5.0 -12.7 -2.9 101 102 A S H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 108.6 46.9 -63.5 -38.4 -7.9 -14.7 -1.6 102 103 A R H > S+ 0 0 92 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.845 109.3 55.0 -73.6 -33.9 -10.4 -11.8 -2.2 103 104 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.963 112.7 42.5 -57.2 -52.8 -9.0 -11.3 -5.7 104 105 A K H X S+ 0 0 96 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.897 114.9 50.0 -60.9 -43.1 -9.7 -14.9 -6.5 105 106 A A H X S+ 0 0 46 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.883 110.0 50.6 -64.9 -41.6 -13.1 -14.8 -4.8 106 107 A D H X S+ 0 0 13 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.904 109.8 50.5 -62.3 -44.2 -14.1 -11.7 -6.6 107 108 A I H X S+ 0 0 10 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.931 114.2 44.4 -59.1 -46.1 -13.2 -13.2 -10.0 108 109 A E H < S+ 0 0 147 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.873 115.9 46.5 -67.6 -39.2 -15.2 -16.4 -9.3 109 110 A K H < S+ 0 0 167 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.914 110.0 51.4 -72.2 -44.9 -18.2 -14.5 -8.0 110 111 A F H < 0 0 49 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.834 360.0 360.0 -67.2 -28.4 -18.4 -12.0 -10.8 111 112 A K < 0 0 195 -4,-1.5 -3,-0.1 -5,-0.2 -4,-0.1 0.033 360.0 360.0-148.5 360.0 -18.3 -14.8 -13.3 112 !* 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 2 B S 0 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.2 5.4 -31.1 20.9 114 3 B D - 0 0 100 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.567 360.0-157.9 -74.6 119.5 5.3 -29.0 17.7 115 4 B P + 0 0 54 0, 0.0 53,-0.5 0, 0.0 2,-0.4 0.444 67.7 83.0 -80.7 2.6 8.8 -28.9 16.1 116 5 B I E S-e 168 0B 11 51,-0.1 2,-0.6 53,-0.0 53,-0.2 -0.881 72.5-136.9-111.8 136.3 8.1 -25.7 14.2 117 6 B V E -e 169 0B 27 51,-3.1 53,-3.2 -2,-0.4 2,-0.9 -0.811 13.3-157.7 -85.9 121.7 8.4 -22.1 15.5 118 7 B H E -e 170 0B 105 -2,-0.6 2,-0.4 51,-0.2 53,-0.2 -0.874 21.2-157.4-102.9 100.3 5.4 -20.1 14.3 119 8 B F E +e 171 0B 12 51,-2.5 53,-0.6 -2,-0.9 2,-0.4 -0.647 22.6 173.1 -93.5 133.9 6.8 -16.6 14.6 120 9 B N + 0 0 100 -2,-0.4 2,-0.3 51,-0.1 56,-0.1 -0.999 39.0 71.1-131.6 130.9 4.8 -13.3 15.0 121 10 B G S S- 0 0 30 -2,-0.4 58,-0.4 54,-0.1 57,-0.0 -0.951 73.7 -43.6 156.5-177.0 6.6 -10.1 15.6 122 11 B T > - 0 0 82 -2,-0.3 4,-2.1 56,-0.1 5,-0.2 -0.217 54.8-103.0 -76.3 168.2 8.7 -7.2 14.4 123 12 B H H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.931 125.5 49.8 -53.5 -47.5 11.9 -7.5 12.3 124 13 B E H > S+ 0 0 153 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.870 109.4 51.1 -61.4 -39.3 13.9 -6.8 15.5 125 14 B A H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.842 108.8 52.1 -66.9 -34.5 12.0 -9.5 17.4 126 15 B L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.942 110.5 46.6 -66.7 -48.3 12.7 -12.0 14.6 127 16 B L H X S+ 0 0 49 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.902 111.9 51.2 -58.6 -45.5 16.5 -11.2 14.8 128 17 B N H X S+ 0 0 96 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.899 111.2 49.0 -56.1 -43.5 16.4 -11.5 18.6 129 18 B R H >X S+ 0 0 98 -4,-2.0 3,-0.8 1,-0.2 4,-0.7 0.885 108.4 52.4 -66.3 -40.7 14.6 -14.9 18.2 130 19 B I H >< S+ 0 0 2 -4,-2.6 3,-1.2 1,-0.2 66,-0.2 0.917 106.0 55.4 -60.1 -41.1 17.2 -16.1 15.6 131 20 B K H 3< S+ 0 0 59 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.640 100.8 59.1 -68.5 -17.1 20.0 -15.2 18.1 132 21 B E H << S+ 0 0 130 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.672 83.3 104.7 -81.5 -19.1 18.4 -17.4 20.8 133 22 B A << - 0 0 15 -3,-1.2 63,-0.2 -4,-0.7 4,-0.1 -0.328 69.8-140.5 -65.3 143.4 18.7 -20.5 18.5 134 23 B P S S- 0 0 126 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.740 73.6 -22.5 -77.7 -19.7 21.5 -22.9 19.5 135 24 B G S S+ 0 0 18 1,-0.3 61,-0.4 30,-0.1 31,-0.1 -0.404 109.4 12.9-153.6-136.5 22.6 -23.7 15.9 136 25 B L - 0 0 13 29,-0.3 31,-2.8 -2,-0.1 2,-0.4 -0.313 57.9-162.4 -61.1 140.1 21.4 -23.7 12.3 137 26 B V E -fG 167 194B 1 57,-2.6 57,-2.7 29,-0.2 2,-0.5 -0.991 11.5-162.2-126.1 134.1 18.1 -21.8 11.6 138 27 B L E -fG 168 193B 1 29,-2.7 31,-3.0 -2,-0.4 2,-0.5 -0.986 11.7-163.0-110.7 116.7 15.8 -22.1 8.5 139 28 B V E -fG 169 192B 0 53,-2.7 53,-2.1 -2,-0.5 2,-0.5 -0.909 2.9-165.6 -98.1 128.9 13.5 -19.1 8.3 140 29 B D E -fG 170 191B 1 29,-2.9 31,-2.9 -2,-0.5 2,-0.6 -0.938 4.8-163.7-118.5 104.1 10.5 -19.6 5.9 141 30 B F E +fG 171 190B 0 49,-2.8 49,-2.3 -2,-0.5 2,-0.3 -0.800 32.4 153.5 -86.0 123.6 8.5 -16.5 4.9 142 31 B F E -f 172 0B 27 29,-2.0 31,-2.9 -2,-0.6 32,-0.4 -0.846 39.0-138.3-143.0 171.1 5.2 -17.8 3.5 143 32 B A > - 0 0 0 -2,-0.3 3,-1.3 29,-0.2 6,-0.1 -0.989 21.2-132.3-136.8 145.6 1.5 -17.1 2.8 144 33 B T T 3 S+ 0 0 84 -2,-0.3 -1,-0.0 1,-0.3 6,-0.0 0.710 106.9 57.2 -67.5 -22.7 -1.4 -19.4 3.4 145 34 B W T 3 S+ 0 0 26 4,-0.0 2,-0.6 5,-0.0 -1,-0.3 0.506 86.2 99.1 -85.6 -6.1 -2.9 -18.6 -0.1 146 35 B b <> - 0 0 9 -3,-1.3 4,-2.2 1,-0.1 5,-0.1 -0.743 61.8-154.2 -92.1 118.1 0.4 -19.7 -1.9 147 36 B G H > S+ 0 0 19 -2,-0.6 4,-2.3 2,-0.2 5,-0.2 0.934 96.0 45.7 -50.4 -59.3 0.4 -23.2 -3.4 148 37 B P H > S+ 0 0 53 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.870 112.7 52.6 -52.9 -42.4 4.2 -23.8 -3.2 149 38 B b H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.885 108.2 51.2 -61.5 -39.4 4.2 -22.4 0.4 150 39 B Q H X S+ 0 0 110 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.912 109.9 48.0 -67.2 -44.1 1.4 -24.9 1.3 151 40 B R H X S+ 0 0 155 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.873 113.2 48.7 -62.6 -39.9 3.3 -28.0 -0.1 152 41 B L H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 3,-0.4 0.925 109.3 52.8 -65.0 -46.3 6.5 -26.9 1.7 153 42 B G H < S+ 0 0 17 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.793 104.1 58.0 -56.9 -32.9 4.5 -26.4 4.9 154 43 B Q H < S+ 0 0 160 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.872 115.7 33.3 -64.6 -39.8 3.1 -30.0 4.6 155 44 B I H X S+ 0 0 53 -4,-1.1 4,-1.8 -3,-0.4 3,-0.5 0.664 98.4 82.5 -93.3 -20.3 6.6 -31.5 4.6 156 45 B L H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.897 85.2 57.6 -59.1 -43.2 8.4 -29.1 6.9 157 46 B P H > S+ 0 0 53 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.907 108.1 48.0 -53.9 -42.7 7.2 -30.7 10.2 158 47 B S H > S+ 0 0 67 -3,-0.5 4,-1.9 -4,-0.3 -2,-0.2 0.893 111.8 49.3 -60.9 -43.4 8.8 -34.1 9.1 159 48 B I H X S+ 0 0 5 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.892 114.7 45.5 -63.7 -39.1 12.0 -32.3 8.1 160 49 B A H >< S+ 0 0 5 -4,-2.8 3,-0.6 2,-0.2 -2,-0.2 0.890 109.2 54.4 -72.0 -41.7 12.1 -30.6 11.5 161 50 B E H 3< S+ 0 0 138 -4,-2.8 3,-0.3 -5,-0.3 -1,-0.2 0.867 112.6 44.8 -57.7 -40.4 11.2 -33.7 13.4 162 51 B A H 3< S+ 0 0 70 -4,-1.9 2,-0.3 1,-0.2 -1,-0.2 0.602 114.6 50.0 -79.2 -14.3 14.2 -35.4 11.8 163 52 B N X< + 0 0 38 -3,-0.6 3,-2.0 -4,-0.6 -1,-0.2 -0.570 59.1 162.2-130.0 67.9 16.6 -32.5 12.4 164 53 B K T 3 S+ 0 0 162 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.726 73.6 62.2 -64.0 -24.9 16.3 -31.5 16.0 165 54 B D T 3 S+ 0 0 110 -3,-0.1 2,-0.4 -31,-0.0 -29,-0.3 0.580 95.2 76.8 -74.1 -10.5 19.6 -29.5 16.0 166 55 B V S < S- 0 0 13 -3,-2.0 2,-0.5 -6,-0.2 -29,-0.2 -0.832 75.2-141.4-104.3 138.2 18.0 -27.2 13.4 167 56 B T E - f 0 137B 29 -31,-2.8 -29,-2.7 -2,-0.4 2,-0.6 -0.889 12.6-158.4-100.6 124.0 15.5 -24.5 14.3 168 57 B F E -ef 116 138B 2 -2,-0.5 -51,-3.1 -53,-0.5 2,-0.6 -0.917 9.3-173.4-108.7 116.7 12.6 -24.0 11.8 169 58 B I E -ef 117 139B 0 -31,-3.0 -29,-2.9 -2,-0.6 2,-0.4 -0.940 6.6-161.5-114.5 115.8 10.9 -20.6 12.0 170 59 B K E -ef 118 140B 35 -53,-3.2 -51,-2.5 -2,-0.6 2,-0.5 -0.819 5.4-169.4 -94.6 137.1 7.8 -19.9 9.9 171 60 B V E -ef 119 141B 0 -31,-2.9 -29,-2.0 -2,-0.4 2,-0.4 -0.957 15.2-143.4-131.3 109.6 6.9 -16.3 9.3 172 61 B D E > - f 0 142B 16 -53,-0.6 4,-1.7 -2,-0.5 -29,-0.2 -0.601 7.4-151.7 -75.2 123.0 3.5 -15.5 7.7 173 62 B V T 4 S+ 0 0 3 -31,-2.9 -1,-0.1 -2,-0.4 -30,-0.1 0.729 91.4 56.1 -72.5 -21.4 3.9 -12.4 5.4 174 63 B D T 4 S+ 0 0 88 -32,-0.4 3,-0.4 2,-0.2 -1,-0.2 0.852 117.1 32.8 -78.8 -35.5 0.3 -11.2 5.9 175 64 B K T 4 S+ 0 0 141 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.679 130.3 37.9 -92.7 -15.9 0.5 -11.0 9.7 176 65 B N X + 0 0 10 -4,-1.7 4,-2.1 1,-0.1 -1,-0.2 -0.368 68.2 142.5-129.0 54.7 4.2 -10.0 9.7 177 66 B G H > S+ 0 0 19 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.858 70.7 56.0 -66.8 -38.1 4.6 -7.7 6.7 178 67 B N H > S+ 0 0 139 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.923 110.4 45.5 -59.4 -44.7 7.1 -5.4 8.4 179 68 B A H > S+ 0 0 1 -58,-0.4 4,-1.0 1,-0.2 -2,-0.2 0.932 114.8 47.9 -63.2 -46.6 9.4 -8.2 9.1 180 69 B A H <>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 3,-0.5 0.877 108.8 53.9 -61.7 -41.1 9.1 -9.7 5.6 181 70 B D H ><5S+ 0 0 67 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.902 103.0 56.7 -62.7 -41.2 9.6 -6.2 4.0 182 71 B A H 3<5S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.784 107.9 50.0 -60.2 -27.2 12.9 -5.8 5.9 183 72 B Y T 3<5S- 0 0 45 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.363 113.1-117.5 -91.6 3.0 14.1 -9.2 4.3 184 73 B G T < 5 + 0 0 50 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.2 0.763 46.5 179.9 71.8 25.8 13.2 -8.1 0.7 185 74 B V < + 0 0 4 -5,-1.9 -146,-0.2 1,-0.2 -1,-0.2 -0.450 23.9 134.6 -71.8 120.8 10.6 -10.9 0.4 186 75 B S + 0 0 35 1,-0.6 -144,-0.2 -2,-0.3 2,-0.2 0.526 63.8 45.7-125.7 -71.4 8.9 -10.9 -3.0 187 76 B S S S- 0 0 34 -145,-0.1 -1,-0.6 -146,-0.1 -148,-0.1 -0.532 94.1-114.5 -70.3 145.7 8.7 -14.4 -4.4 188 77 B I S S+ 0 0 20 -2,-0.2 22,-0.2 -149,-0.1 2,-0.2 -0.948 89.4 49.1-134.2 156.3 7.5 -16.9 -1.7 189 78 B P S S- 0 0 0 0, 0.0 20,-2.6 0, 0.0 2,-0.6 0.549 76.1-167.3 -67.0 145.0 8.2 -19.2 -0.1 190 79 B A E -GH 141 208B 2 -49,-2.3 -49,-2.8 18,-0.2 2,-0.4 -0.953 3.4-163.4-111.4 114.3 11.4 -17.2 0.8 191 80 B L E -GH 140 207B 0 16,-2.6 16,-2.1 -2,-0.6 2,-0.4 -0.829 11.1-178.7-103.5 133.8 14.0 -19.4 2.6 192 81 B F E -GH 139 206B 15 -53,-2.1 -53,-2.7 -2,-0.4 2,-0.6 -0.970 12.4-158.8-133.2 115.9 17.0 -18.1 4.6 193 82 B F E +GH 138 205B 0 12,-2.9 11,-3.2 -2,-0.4 12,-1.4 -0.864 30.1 166.5 -88.6 122.0 19.5 -20.5 6.2 194 83 B V E -GH 137 203B 1 -57,-2.7 -57,-2.6 -2,-0.6 2,-0.3 -0.920 22.5-169.8-138.1 160.9 21.2 -18.5 9.0 195 84 B K E - H 0 202B 45 7,-2.1 7,-3.3 -2,-0.3 2,-0.4 -0.987 29.9-114.0-149.6 139.6 23.5 -19.1 12.0 196 85 B K E + H 0 201B 91 -61,-0.4 2,-0.4 -2,-0.3 5,-0.2 -0.637 32.7 178.9 -71.6 128.4 24.6 -16.8 14.8 197 86 B E E > - H 0 200B 113 3,-2.9 3,-1.0 -2,-0.4 2,-0.3 -0.927 67.3 -35.7-131.6 110.4 28.4 -16.3 14.6 198 87 B G T 3 S- 0 0 61 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.663 122.9 -34.0 72.8-133.8 29.6 -14.0 17.4 199 88 B N T 3 S+ 0 0 152 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.022 125.9 83.6-103.5 23.8 26.8 -11.4 18.0 200 89 B E E < S-H 197 0B 148 -3,-1.0 -3,-2.9 -69,-0.0 2,-0.6 -0.869 77.3-120.8-125.2 159.5 25.9 -11.4 14.3 201 90 B I E -H 196 0B 42 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.890 23.2-154.9-101.7 121.8 23.7 -13.5 12.1 202 91 B K E -H 195 0B 115 -7,-3.3 -7,-2.1 -2,-0.6 2,-0.6 -0.830 10.0-140.1 -92.7 133.4 25.5 -15.1 9.1 203 92 B T E +H 194 0B 64 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.860 21.2 178.6 -92.6 121.5 23.3 -16.0 6.1 204 93 B L E - 0 0 50 -11,-3.2 2,-0.3 -2,-0.6 -10,-0.2 0.775 66.7 -8.6 -96.3 -32.5 24.5 -19.4 4.8 205 94 B D E -H 193 0B 34 -12,-1.4 -12,-2.9 2,-0.0 -1,-0.4 -0.963 59.2-173.5-158.5 151.0 22.0 -19.7 1.9 206 95 B Q E +H 192 0B 114 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.984 17.8 142.5-147.6 141.8 19.0 -18.0 0.6 207 96 B F E -H 191 0B 22 -16,-2.1 -16,-2.6 -2,-0.3 2,-0.3 -0.958 35.6-118.7-162.1 172.8 16.5 -18.8 -2.1 208 97 B V E +H 190 0B 81 -2,-0.3 -18,-0.2 -18,-0.2 -20,-0.1 -0.949 64.3 47.6-125.2 148.9 12.9 -18.6 -3.2 209 98 B G S S- 0 0 23 -20,-2.6 2,-2.1 -2,-0.3 -18,-0.1 -0.144 95.1 -69.5 107.3 161.1 10.5 -21.4 -4.1 210 99 B A + 0 0 38 -22,-0.2 2,-1.6 -2,-0.1 3,-0.2 -0.413 63.6 162.4 -84.7 65.4 9.6 -24.7 -2.5 211 100 B D > + 0 0 66 -2,-2.1 4,-1.9 1,-0.2 5,-0.1 -0.621 5.7 169.9 -90.0 81.3 12.9 -26.3 -3.3 212 101 B V H > S+ 0 0 39 -2,-1.6 4,-2.7 1,-0.2 5,-0.2 0.870 73.2 56.7 -63.9 -39.3 12.7 -29.2 -0.9 213 102 B S H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 109.2 46.6 -60.4 -41.9 15.8 -31.0 -2.3 214 103 B R H > S+ 0 0 110 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.852 110.1 53.3 -69.3 -35.5 17.9 -27.8 -1.7 215 104 B I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.953 113.2 43.8 -59.9 -48.4 16.5 -27.5 1.8 216 105 B K H X S+ 0 0 112 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.877 114.4 48.9 -67.3 -39.1 17.5 -31.1 2.6 217 106 B A H X S+ 0 0 54 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.917 110.4 51.3 -65.6 -44.8 20.9 -30.7 0.9 218 107 B D H X S+ 0 0 1 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.881 106.7 54.2 -58.5 -43.5 21.7 -27.5 2.8 219 108 B I H X S+ 0 0 4 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.943 113.4 42.1 -57.2 -47.0 20.8 -29.2 6.1 220 109 B E H < S+ 0 0 150 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.910 115.9 51.5 -65.0 -42.4 23.3 -32.0 5.4 221 110 B K H < S+ 0 0 137 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.953 108.7 46.4 -59.4 -53.9 25.8 -29.4 4.1 222 111 B F H < 0 0 42 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 360.0 360.0 -71.0 -30.8 25.9 -27.0 7.0 223 112 B K < 0 0 177 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.1 -0.687 360.0 360.0-176.8 360.0 26.1 -29.9 9.5