==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 29-OCT-04 1XWA . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR M.C.WAHL,A.IRMLER,B.HECKER,R.H.SCHIRMER,K.BECKER . 429 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 81.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 13.1 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 . 4 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 . 1 0.2 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 . 61 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 0 0 0 3 5 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 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 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 -4 A A 0 0 109 0, 0.0 51,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.8 58.6 4.1 43.2 2 -3 A A - 0 0 38 50,-0.1 50,-0.2 49,-0.1 3,-0.1 0.943 360.0-155.2 54.2 45.9 61.5 3.6 40.9 3 -2 A A + 0 0 79 1,-0.1 2,-1.2 2,-0.1 -1,-0.0 0.373 55.5 44.9 -45.8 178.7 62.4 7.1 42.0 4 -1 A A S S- 0 0 96 2,-0.1 -1,-0.1 1,-0.0 2,-0.1 -0.741 93.5-114.5 85.3 -92.6 64.3 9.9 40.4 5 0 A A - 0 0 39 -2,-1.2 43,-0.1 43,-0.1 -2,-0.1 -0.085 17.8-147.5 128.2 130.5 62.9 9.8 36.9 6 1 A M + 0 0 80 42,-0.3 2,-1.1 -2,-0.1 54,-0.5 -0.062 67.2 126.6-104.2 23.9 64.5 8.9 33.6 7 2 A V E -a 60 0A 31 52,-0.1 2,-0.4 54,-0.1 54,-0.2 -0.735 46.1-165.8 -86.7 96.5 62.0 11.5 32.4 8 3 A Y E -a 61 0A 89 52,-1.6 54,-2.7 -2,-1.1 2,-0.7 -0.703 13.0-139.6 -87.6 132.1 64.0 14.0 30.4 9 4 A Q E -a 62 0A 71 -2,-0.4 54,-0.2 52,-0.2 52,-0.1 -0.824 20.0-132.3 -93.4 115.1 62.3 17.3 29.7 10 5 A V - 0 0 1 52,-1.7 54,-0.4 -2,-0.7 3,-0.1 -0.327 9.5-155.8 -65.4 144.2 63.1 18.5 26.1 11 6 A K - 0 0 152 1,-0.2 2,-0.3 52,-0.1 -1,-0.1 0.755 67.4 -15.5 -91.8 -28.3 64.2 22.1 25.7 12 7 A D S > S- 0 0 61 1,-0.1 4,-2.5 56,-0.1 -1,-0.2 -0.959 74.9 -86.1-163.5 175.4 63.2 22.7 22.1 13 8 A K H > S+ 0 0 80 -2,-0.3 4,-2.8 2,-0.2 5,-0.1 0.867 126.6 49.9 -61.8 -38.6 62.3 20.9 18.8 14 9 A A H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 111.2 49.7 -65.7 -42.6 65.9 20.5 17.8 15 10 A D H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.883 110.7 50.2 -62.4 -38.6 66.6 19.0 21.3 16 11 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.955 108.4 52.2 -64.1 -49.0 63.6 16.7 20.8 17 12 A D H X S+ 0 0 80 -4,-2.8 4,-1.9 1,-0.3 -2,-0.2 0.906 111.2 47.4 -53.4 -43.8 64.9 15.6 17.4 18 13 A G H X S+ 0 0 34 -4,-2.4 4,-1.8 1,-0.2 -1,-0.3 0.837 110.4 52.7 -67.4 -32.0 68.2 14.8 19.0 19 14 A Q H X S+ 0 0 23 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.890 106.8 52.9 -69.5 -40.1 66.5 12.9 21.8 20 15 A L H X S+ 0 0 35 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.918 108.2 49.5 -62.9 -44.0 64.6 10.8 19.3 21 16 A T H >< S+ 0 0 108 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.923 109.7 51.5 -62.9 -42.0 67.7 9.7 17.5 22 17 A K H 3< S+ 0 0 147 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 100.2 63.8 -63.1 -29.9 69.4 8.8 20.7 23 18 A A H >< S+ 0 0 4 -4,-1.6 3,-2.2 1,-0.2 2,-0.6 0.760 84.0 178.7 -63.8 -24.9 66.3 6.7 21.5 24 19 A S T << - 0 0 84 -3,-1.3 64,-0.4 -4,-0.8 -1,-0.2 -0.419 67.0 -15.4 62.8-105.4 67.3 4.7 18.5 25 20 A G T 3 S+ 0 0 29 -2,-0.6 -1,-0.3 -3,-0.2 3,-0.1 0.502 106.6 117.0-108.0 -7.4 64.7 1.9 18.2 26 21 A K S < S- 0 0 67 -3,-2.2 62,-0.4 1,-0.1 2,-0.3 -0.167 77.1 -97.3 -61.2 151.4 63.2 2.2 21.7 27 22 A L E -b 58 0A 0 30,-2.3 32,-2.4 60,-0.1 2,-0.5 -0.553 40.3-149.5 -70.5 131.3 59.6 3.2 22.2 28 23 A V E -bC 59 86A 5 58,-3.4 58,-2.5 -2,-0.3 2,-0.6 -0.905 7.6-160.3-108.1 129.8 59.4 6.9 22.9 29 24 A V E -bC 60 85A 0 30,-2.6 32,-2.7 -2,-0.5 2,-0.7 -0.940 5.3-159.3-108.8 112.9 56.6 8.3 25.1 30 25 A L E -bC 61 84A 0 54,-3.6 54,-2.2 -2,-0.6 2,-0.7 -0.849 7.4-163.9 -92.4 120.1 56.1 12.0 24.5 31 26 A D E -bC 62 83A 1 30,-2.9 32,-3.1 -2,-0.7 2,-0.7 -0.900 6.3-154.4-109.1 103.7 54.3 13.4 27.6 32 27 A F E +bC 63 82A 0 50,-2.5 50,-1.0 -2,-0.7 2,-0.2 -0.725 30.7 170.6 -81.2 114.4 52.8 16.9 26.9 33 28 A F E -b 64 0A 11 30,-2.1 32,-2.4 -2,-0.7 33,-0.4 -0.715 28.6-164.7-124.5 165.4 52.6 18.5 30.4 34 29 A A > - 0 0 0 -2,-0.2 3,-1.3 3,-0.2 7,-0.2 -0.956 25.2-134.8-151.8 137.3 51.9 21.8 32.1 35 30 A T T 3 S+ 0 0 85 -2,-0.3 -1,-0.0 1,-0.3 6,-0.0 0.693 109.1 51.4 -68.0 -19.5 52.8 22.7 35.7 36 31 A W T 3 S+ 0 0 165 -3,-0.0 2,-0.7 4,-0.0 -1,-0.3 0.403 86.9 102.9 -95.1 -1.1 49.3 24.2 36.2 37 32 A a <> - 0 0 8 -3,-1.3 4,-1.9 1,-0.2 -3,-0.2 -0.765 56.2-161.2 -92.0 111.3 47.6 21.1 34.9 38 33 A G H > S+ 0 0 44 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 0.930 90.0 46.3 -54.8 -54.5 46.1 19.0 37.7 39 34 A P H > S+ 0 0 64 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.864 109.2 57.5 -61.1 -32.4 45.7 15.7 35.7 40 35 A a H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.930 108.8 44.2 -63.5 -44.2 49.2 16.1 34.4 41 36 A K H >< S+ 0 0 115 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.874 108.8 58.5 -68.1 -35.3 50.8 16.3 37.9 42 37 A M H 3< S+ 0 0 128 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.815 108.6 44.8 -64.5 -29.6 48.6 13.4 39.0 43 38 A I H >X S+ 0 0 2 -4,-1.4 4,-1.9 -3,-0.3 3,-0.6 0.613 89.7 90.3 -90.9 -11.1 50.0 11.1 36.3 44 39 A S H S+ 0 0 85 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.861 108.5 53.4 -61.8 -32.3 54.6 9.5 39.5 46 41 A K H <> S+ 0 0 33 -3,-0.6 4,-3.0 -4,-0.3 5,-0.2 0.939 108.1 49.1 -65.0 -47.9 53.2 6.9 37.1 47 42 A L H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.889 110.7 50.6 -58.7 -40.1 55.5 8.1 34.3 48 43 A V H X S+ 0 0 32 -4,-2.3 4,-1.7 2,-0.2 -42,-0.3 0.950 111.1 49.2 -63.0 -47.1 58.5 8.1 36.7 49 44 A E H X S+ 0 0 65 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.938 113.7 45.2 -55.8 -51.5 57.7 4.5 37.7 50 45 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.876 105.5 60.5 -63.5 -37.9 57.4 3.4 34.0 51 46 A S H < S+ 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 7,-0.2 0.900 113.0 38.8 -57.6 -39.6 60.5 5.2 33.0 52 47 A T H >< S+ 0 0 51 -4,-1.7 3,-1.2 -3,-0.3 -2,-0.2 0.902 113.9 53.0 -76.3 -44.1 62.5 3.0 35.4 53 48 A Q H 3< S+ 0 0 100 -4,-2.4 3,-0.2 1,-0.3 -2,-0.2 0.866 123.4 28.8 -60.6 -37.6 60.6 -0.2 34.9 54 49 A F T >X S+ 0 0 24 -4,-2.6 4,-2.6 -5,-0.2 3,-1.7 0.019 76.4 131.2-114.8 29.7 61.1 -0.1 31.1 55 50 A A T <4 S+ 0 0 49 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.782 73.7 55.9 -52.5 -29.4 64.4 1.9 31.0 56 51 A D T 34 S+ 0 0 144 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.734 123.4 21.0 -78.1 -22.2 65.8 -0.8 28.6 57 52 A N T <4 S+ 0 0 75 -3,-1.7 -30,-2.3 1,-0.1 2,-0.4 0.457 117.6 61.7-123.6 -3.8 63.0 -0.4 26.0 58 53 A V E < - b 0 27A 8 -4,-2.6 2,-0.5 -32,-0.2 -30,-0.2 -0.961 48.8-165.0-134.3 147.3 61.5 3.0 26.7 59 54 A V E - b 0 28A 25 -32,-2.4 -30,-2.6 -2,-0.4 2,-0.6 -0.982 14.1-157.3-125.6 116.6 62.4 6.7 26.7 60 55 A V E -ab 7 29A 2 -54,-0.5 -52,-1.6 -2,-0.5 2,-0.5 -0.852 11.1-173.8 -98.6 122.4 60.1 9.1 28.4 61 56 A L E -ab 8 30A 1 -32,-2.7 -30,-2.9 -2,-0.6 2,-0.5 -0.964 12.4-148.3-117.5 126.6 60.4 12.7 27.2 62 57 A K E -ab 9 31A 40 -54,-2.7 -52,-1.7 -2,-0.5 2,-0.6 -0.802 9.1-165.9 -96.2 131.3 58.4 15.4 28.9 63 58 A V E - b 0 32A 0 -32,-3.1 -30,-2.1 -2,-0.5 2,-0.7 -0.920 9.7-151.6-121.3 106.0 57.3 18.3 26.8 64 59 A D E >> - b 0 33A 2 -2,-0.6 4,-2.6 -54,-0.4 3,-0.6 -0.662 6.3-153.5 -76.4 114.4 56.1 21.4 28.7 65 60 A V T 34 S+ 0 0 22 -32,-2.4 -1,-0.2 -2,-0.7 -31,-0.1 0.682 92.0 55.4 -63.0 -20.6 53.6 23.1 26.5 66 61 A D T 34 S+ 0 0 69 -33,-0.4 3,-0.3 2,-0.1 -1,-0.2 0.826 118.1 33.6 -81.3 -32.1 54.2 26.5 28.0 67 62 A E T <4 S+ 0 0 139 -3,-0.6 -2,-0.2 1,-0.2 3,-0.1 0.702 127.3 38.5 -93.8 -24.6 58.0 26.3 27.3 68 63 A C >X + 0 0 7 -4,-2.6 4,-1.9 1,-0.1 3,-0.5 -0.419 64.9 152.9-125.2 57.3 57.8 24.3 24.0 69 64 A E H 3> S+ 0 0 133 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.787 71.7 60.1 -55.3 -33.4 54.7 25.8 22.3 70 65 A D H 3> S+ 0 0 93 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.929 105.9 46.1 -62.7 -45.8 56.1 24.9 18.9 71 66 A I H <> S+ 0 0 1 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.922 113.2 49.6 -63.1 -44.3 56.2 21.2 19.7 72 67 A A H <>S+ 0 0 13 -4,-1.9 5,-2.5 2,-0.2 -2,-0.2 0.922 113.3 46.6 -60.3 -45.2 52.7 21.3 21.2 73 68 A M H ><5S+ 0 0 142 -4,-2.6 3,-1.8 3,-0.2 -2,-0.2 0.942 110.2 54.5 -62.7 -46.4 51.5 23.1 18.1 74 69 A E H 3<5S+ 0 0 105 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.887 112.2 41.7 -55.2 -44.8 53.3 20.6 15.9 75 70 A Y T 3<5S- 0 0 43 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.294 112.2-121.0 -89.0 13.9 51.6 17.6 17.5 76 71 A N T < 5 - 0 0 131 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.916 43.5-175.0 47.8 55.2 48.3 19.4 17.5 77 72 A I < + 0 0 29 -5,-2.5 -1,-0.2 1,-0.2 3,-0.1 -0.565 27.8 142.8 -80.9 140.0 47.9 19.2 21.3 78 73 A S + 0 0 110 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.415 57.0 65.8-145.0 -32.0 44.7 20.5 22.9 79 74 A S S S- 0 0 65 18,-0.0 -1,-0.3 2,-0.0 -47,-0.1 -0.730 84.6-109.5 -97.5 149.9 43.9 18.1 25.8 80 75 A M S S+ 0 0 45 -2,-0.3 18,-0.2 1,-0.2 -40,-0.1 -0.987 96.1 24.4-132.2 125.5 46.2 17.8 28.9 81 76 A P S S+ 0 0 0 0, 0.0 16,-2.8 0, 0.0 2,-0.4 0.557 78.9 175.5 -82.8 162.9 47.9 15.5 29.4 82 77 A T E -CD 32 96A 3 -50,-1.0 -50,-2.5 14,-0.2 2,-0.5 -1.000 15.1-154.7-130.4 132.2 48.4 14.0 26.0 83 78 A F E -CD 31 95A 0 12,-3.3 12,-1.8 -2,-0.4 2,-0.5 -0.934 7.9-172.0-110.3 123.9 50.6 11.0 25.3 84 79 A V E -CD 30 94A 0 -54,-2.2 -54,-3.6 -2,-0.5 2,-0.5 -0.966 10.0-155.3-114.7 127.3 52.2 10.5 21.9 85 80 A F E +CD 29 93A 0 8,-2.9 7,-3.4 -2,-0.5 8,-1.1 -0.900 16.7 176.5-107.5 125.9 54.0 7.2 21.3 86 81 A L E -CD 28 91A 9 -58,-2.5 -58,-3.4 -2,-0.5 2,-0.3 -0.890 17.2-175.8-128.3 155.9 56.7 7.0 18.7 87 82 A K E > S- D 0 90A 59 3,-2.0 3,-2.5 -2,-0.3 -60,-0.1 -0.936 82.3 -10.5-150.2 122.2 59.1 4.4 17.4 88 83 A N T 3 S- 0 0 117 -62,-0.4 3,-0.1 -64,-0.4 -63,-0.1 0.899 128.1 -58.3 52.5 44.4 61.7 5.2 14.7 89 84 A G T 3 S+ 0 0 64 1,-0.2 2,-0.5 -69,-0.1 -1,-0.3 0.507 112.9 122.7 67.2 1.8 59.9 8.5 14.1 90 85 A V E < -D 87 0A 95 -3,-2.5 -3,-2.0 1,-0.0 2,-0.4 -0.850 67.5-119.8-100.2 131.1 56.7 6.6 13.3 91 86 A K E +D 86 0A 116 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.524 30.6 177.7 -71.5 123.1 53.6 7.4 15.3 92 87 A V E - 0 0 47 -7,-3.4 2,-0.3 1,-0.4 -6,-0.2 0.861 60.8 -37.5 -91.2 -45.4 52.4 4.2 17.1 93 88 A E E -D 85 0A 73 -8,-1.1 -8,-2.9 2,-0.0 -1,-0.4 -0.973 49.7-154.9-170.8 169.4 49.5 5.7 19.0 94 89 A E E +D 84 0A 67 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.972 14.7 164.3-158.3 143.9 48.2 8.7 20.9 95 90 A F E -D 83 0A 10 -12,-1.8 -12,-3.3 -2,-0.3 2,-0.3 -0.977 24.2-133.0-158.3 157.0 45.6 9.4 23.6 96 91 A A E +D 82 0A 44 -2,-0.3 -14,-0.2 -14,-0.3 -16,-0.1 -0.832 56.4 62.0-112.8 151.9 44.7 12.2 26.1 97 92 A G S S- 0 0 28 -16,-2.8 2,-2.0 -2,-0.3 -14,-0.1 -0.019 83.3 -84.8 112.1 144.0 43.9 11.9 29.8 98 93 A A + 0 0 29 -18,-0.2 2,-0.8 -2,-0.1 -1,-0.1 -0.477 64.5 149.8 -81.6 70.6 45.6 10.8 33.0 99 94 A N > - 0 0 77 -2,-2.0 4,-2.2 1,-0.2 5,-0.2 -0.854 24.9-173.5-108.7 98.4 44.8 7.1 32.7 100 95 A A H > S+ 0 0 38 -2,-0.8 4,-2.0 1,-0.2 5,-0.2 0.880 83.1 48.8 -58.3 -45.3 47.6 5.1 34.4 101 96 A K H > S+ 0 0 166 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 111.6 49.5 -63.4 -43.2 46.4 1.7 33.3 102 97 A R H > S+ 0 0 105 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.909 108.5 53.6 -63.0 -41.7 46.0 2.7 29.7 103 98 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.931 112.0 43.8 -57.8 -50.2 49.5 4.3 29.7 104 99 A E H X S+ 0 0 35 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.884 112.2 54.4 -62.7 -40.5 51.1 1.1 30.9 105 100 A D H X S+ 0 0 100 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.911 107.0 50.3 -59.4 -47.3 49.0 -1.0 28.5 106 101 A V H X S+ 0 0 6 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.924 113.5 45.4 -60.2 -43.7 50.2 1.0 25.5 107 102 A I H >< S+ 0 0 2 -4,-1.8 3,-0.7 -5,-0.2 -2,-0.2 0.937 113.1 49.1 -65.6 -46.8 53.9 0.6 26.5 108 103 A K H >< S+ 0 0 116 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.858 113.1 48.2 -61.9 -34.1 53.6 -3.1 27.2 109 104 A A H 3< S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.628 114.2 47.2 -82.3 -12.3 51.8 -3.7 23.9 110 105 A N T << 0 0 41 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.102 360.0 360.0-119.7 26.7 54.4 -1.7 21.9 111 106 A I < 0 0 93 -3,-0.6 -53,-0.1 -4,-0.2 -85,-0.1 -0.819 360.0 360.0-120.5 360.0 57.8 -2.9 23.1 112 !* 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 1 B M 0 0 148 0, 0.0 2,-1.2 0, 0.0 54,-0.5 0.000 360.0 360.0 360.0 -96.1 17.4 57.3 30.5 114 2 B V - 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0 0 136 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.920 44.5-177.2 50.3 55.9 70.0 86.2 63.9 398 72 D I < + 0 0 27 -5,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.632 24.3 147.6 -86.4 139.5 70.2 86.6 67.7 399 73 D S + 0 0 111 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.488 58.0 53.1-143.0 -22.2 67.3 88.1 69.7 400 74 D S S S- 0 0 64 18,-0.0 -1,-0.3 -47,-0.0 18,-0.1 -0.939 84.2 -96.9-122.6 147.2 67.1 86.5 73.1 401 75 D M S S+ 0 0 44 -2,-0.4 18,-0.2 1,-0.2 -47,-0.1 -0.946 97.3 22.3-121.1 136.9 69.8 86.2 75.8 402 76 D P S S+ 0 0 0 0, 0.0 16,-3.5 0, 0.0 2,-0.5 0.567 77.5 179.0 -85.3 157.6 71.6 84.0 76.3 403 77 D T E -OP 353 417D 3 -50,-1.7 -50,-2.8 14,-0.2 2,-0.5 -0.984 11.8-158.5-122.1 131.8 71.5 82.2 73.0 404 78 D F E -OP 352 416D 0 12,-2.7 12,-1.6 -2,-0.5 2,-0.5 -0.940 5.9-170.8-111.4 122.4 73.5 79.0 72.4 405 79 D V E -OP 351 415D 0 -54,-2.0 -54,-3.0 -2,-0.5 2,-0.6 -0.951 10.4-152.7-112.6 126.2 74.4 77.9 68.9 406 80 D F E -OP 350 414D 0 8,-3.1 8,-1.4 -2,-0.5 7,-1.3 -0.887 15.8-178.8-106.0 122.9 75.9 74.5 68.4 407 81 D L E +OP 349 412D 17 -58,-2.4 -58,-3.1 -2,-0.6 2,-0.3 -0.873 10.0 179.8-119.5 149.5 78.1 73.9 65.4 408 82 D K E S-O 348 0D 67 3,-2.0 -60,-0.1 -2,-0.3 3,-0.1 -0.899 72.7 -21.1-151.7 118.1 80.0 70.8 64.2 409 83 D N S S- 0 0 121 -62,-0.5 -63,-0.1 -64,-0.4 3,-0.1 0.907 129.1 -46.3 49.1 49.7 82.2 70.6 61.1 410 84 D G S S+ 0 0 83 1,-0.2 2,-0.3 -69,-0.1 -1,-0.2 0.872 117.0 109.8 65.0 38.6 80.5 73.6 59.5 411 85 D V - 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