==== 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 15-SEP-04 1XFL . COMPND 2 MOLECULE: THIOREDOXIN H1; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR F.C.PETERSON,B.L.LYTLE,S.SAMPATH,D.VINAROV,E.TYLER,M.SHAHAN, . 114 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 82.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 11.4 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 . 1 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 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 0 0 1 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 1 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 1 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 M 0 0 233 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.6 -7.3 8.4 -23.2 2 2 A A + 0 0 103 2,-0.1 2,-0.3 1,-0.0 0, 0.0 -0.898 360.0 155.0-102.4 111.3 -4.8 7.3 -20.7 3 3 A S + 0 0 97 -2,-0.7 2,-1.0 2,-0.1 -1,-0.0 -0.734 12.9 177.3-138.2 84.7 -6.2 5.0 -18.1 4 4 A E + 0 0 151 -2,-0.3 3,-0.3 54,-0.1 2,-0.2 -0.810 11.9 163.9 -97.7 98.2 -3.5 3.0 -16.7 5 5 A E + 0 0 90 -2,-1.0 50,-0.3 1,-0.2 3,-0.1 -0.623 46.6 56.3-107.3 170.1 -4.8 0.8 -14.0 6 6 A G S S+ 0 0 27 48,-1.4 2,-0.4 1,-0.3 49,-0.3 0.533 82.8 117.7 86.2 6.5 -3.4 -2.3 -12.3 7 7 A Q - 0 0 79 47,-0.4 2,-0.4 -3,-0.3 55,-0.3 -0.866 46.4-162.7-116.3 144.0 -0.3 -0.4 -11.3 8 8 A V - 0 0 29 -2,-0.4 2,-0.8 -3,-0.1 55,-0.2 -0.933 29.4-114.7-117.8 141.2 1.1 0.4 -7.9 9 9 A I E -a 63 0A 41 53,-3.0 55,-2.3 -2,-0.4 2,-0.8 -0.684 27.8-155.9 -86.2 114.0 3.7 3.1 -7.3 10 10 A A E -a 64 0A 45 -2,-0.8 2,-0.8 53,-0.2 55,-0.2 -0.788 5.0-150.9 -91.2 112.8 6.9 1.5 -6.1 11 11 A C E +a 65 0A 1 53,-2.2 55,-0.7 -2,-0.8 59,-0.2 -0.744 25.9 167.4 -87.8 114.5 9.0 3.9 -4.2 12 12 A H S S+ 0 0 109 -2,-0.8 2,-0.3 53,-0.1 -1,-0.2 0.339 72.6 41.4-102.3 3.8 12.6 3.1 -4.5 13 13 A T S > S- 0 0 58 1,-0.1 4,-1.5 57,-0.1 57,-0.1 -0.949 82.2-121.7-145.7 158.0 13.5 6.4 -3.0 14 14 A V H > S+ 0 0 65 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.786 109.5 65.5 -73.5 -25.8 12.1 8.5 -0.2 15 15 A E H > S+ 0 0 130 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.943 104.4 41.7 -61.2 -51.0 11.5 11.3 -2.7 16 16 A T H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 115.7 52.3 -63.4 -41.0 8.8 9.3 -4.6 17 17 A W H X S+ 0 0 10 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.942 114.9 40.5 -57.3 -51.3 7.4 8.1 -1.3 18 18 A N H X S+ 0 0 98 -4,-3.3 4,-2.8 1,-0.2 5,-0.3 0.921 113.3 55.1 -63.0 -47.6 7.2 11.7 0.0 19 19 A E H X S+ 0 0 123 -4,-3.1 4,-1.6 -5,-0.2 -2,-0.2 0.872 112.1 42.9 -56.2 -44.0 5.9 13.0 -3.3 20 20 A Q H X S+ 0 0 32 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.889 113.9 48.9 -74.5 -40.8 3.1 10.6 -3.4 21 21 A L H X S+ 0 0 34 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.891 110.7 50.1 -67.0 -42.1 2.1 10.9 0.2 22 22 A Q H X S+ 0 0 97 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.932 113.8 47.0 -60.8 -43.2 2.0 14.6 0.1 23 23 A K H X S+ 0 0 119 -4,-1.6 4,-3.5 -5,-0.3 6,-0.3 0.910 109.9 52.2 -64.2 -43.8 -0.1 14.4 -3.0 24 24 A A H <>S+ 0 0 0 -4,-2.8 5,-1.9 1,-0.2 4,-0.3 0.869 113.2 46.1 -61.6 -35.7 -2.4 11.8 -1.4 25 25 A N H ><5S+ 0 0 50 -4,-2.2 3,-0.6 3,-0.2 -2,-0.2 0.953 118.1 40.5 -69.3 -53.4 -2.9 14.1 1.5 26 26 A E H 3<5S+ 0 0 126 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.899 118.6 44.5 -65.0 -43.7 -3.5 17.2 -0.5 27 27 A S T 3<5S- 0 0 70 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.494 108.3-126.2 -82.2 -2.0 -5.6 15.6 -3.2 28 28 A K T < 5 + 0 0 136 -3,-0.6 2,-0.3 -4,-0.3 -3,-0.2 0.829 52.4 164.0 59.2 38.2 -7.5 13.8 -0.4 29 29 A T < - 0 0 36 -5,-1.9 2,-0.4 -6,-0.3 62,-0.4 -0.593 42.9-118.0 -89.5 143.9 -6.8 10.6 -2.1 30 30 A L E -b 60 0A 43 29,-0.6 31,-2.8 -2,-0.3 2,-0.4 -0.684 37.3-165.5 -81.8 128.6 -7.2 7.3 -0.4 31 31 A V E -b 61 0A 0 -2,-0.4 57,-2.8 57,-0.4 2,-0.5 -0.953 16.4-166.5-126.4 138.1 -3.9 5.6 -0.2 32 32 A V E -bC 62 87A 4 29,-3.0 31,-2.1 -2,-0.4 2,-0.5 -0.990 12.4-164.0-123.8 122.5 -2.9 2.0 0.5 33 33 A V E -bC 63 86A 1 53,-2.8 53,-3.6 -2,-0.5 2,-0.6 -0.903 7.4-157.3-113.2 133.9 0.7 1.2 1.2 34 34 A D E -bC 64 85A 0 29,-3.2 31,-3.3 -2,-0.5 2,-0.8 -0.945 3.8-160.2-110.8 112.7 2.3 -2.2 1.2 35 35 A F E +bC 65 84A 0 49,-3.2 49,-2.2 -2,-0.6 2,-0.2 -0.861 40.8 130.4 -92.1 116.7 5.5 -2.5 3.1 36 36 A T E -b 66 0A 6 29,-3.1 31,-3.4 -2,-0.8 2,-0.4 -0.782 50.7-118.5-154.0 178.3 7.1 -5.5 1.7 37 37 A A > - 0 0 1 29,-0.3 3,-1.6 -2,-0.2 6,-0.1 -0.994 11.9-142.1-136.7 137.1 10.3 -7.0 0.3 38 38 A S T 3 S+ 0 0 98 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.780 107.2 55.3 -65.7 -26.2 10.9 -8.4 -3.1 39 39 A W T 3 S+ 0 0 166 -3,-0.1 2,-0.6 4,-0.0 -1,-0.3 0.372 87.9 100.1 -87.3 6.6 13.2 -11.1 -1.5 40 40 A a <> - 0 0 19 -3,-1.6 4,-1.7 1,-0.2 5,-0.2 -0.846 63.8-152.9 -97.6 123.5 10.3 -12.0 0.8 41 41 A G H >> S+ 0 0 53 -2,-0.6 4,-2.2 2,-0.2 3,-0.7 0.970 92.3 35.0 -59.9 -67.5 8.4 -15.2 -0.3 42 42 A P H 3> S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.834 117.5 57.6 -58.6 -31.4 4.9 -14.7 1.1 43 43 A a H 3> S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.847 108.5 43.9 -67.2 -36.1 5.3 -11.0 0.5 44 44 A R H << S+ 0 0 161 -4,-1.7 -1,-0.2 -3,-0.7 -3,-0.2 0.847 111.1 56.1 -77.4 -33.4 5.9 -11.7 -3.2 45 45 A F H < S+ 0 0 164 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.845 110.6 43.1 -66.3 -33.9 3.0 -14.2 -3.2 46 46 A I H >X S+ 0 0 13 -4,-1.9 4,-1.3 1,-0.2 3,-0.6 0.661 95.3 85.0 -87.4 -14.5 0.6 -11.6 -1.9 47 47 A A H 3X S+ 0 0 24 -4,-0.7 4,-2.0 1,-0.2 3,-0.4 0.877 83.1 54.0 -56.2 -48.6 2.0 -8.9 -4.3 48 48 A P H 3> S+ 0 0 71 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.809 106.9 54.7 -59.3 -28.5 -0.2 -9.8 -7.5 49 49 A F H <> S+ 0 0 55 -3,-0.6 4,-2.0 -4,-0.3 -2,-0.2 0.874 106.4 48.9 -73.0 -36.3 -3.2 -9.5 -5.3 50 50 A F H X S+ 0 0 1 -4,-1.3 4,-1.7 -3,-0.4 -1,-0.2 0.847 112.4 48.7 -71.6 -33.2 -2.3 -5.9 -4.3 51 51 A A H X S+ 0 0 35 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.837 108.9 54.6 -71.3 -32.2 -1.6 -5.2 -8.0 52 52 A D H X S+ 0 0 60 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.879 105.1 53.1 -65.4 -41.8 -5.1 -6.7 -8.7 53 53 A L H >X S+ 0 0 19 -4,-2.0 4,-2.1 1,-0.2 3,-0.6 0.912 107.4 50.3 -58.3 -45.8 -6.5 -4.3 -6.2 54 54 A A H 3< S+ 0 0 2 -4,-1.7 -48,-1.4 1,-0.2 -47,-0.4 0.789 103.4 62.4 -62.3 -30.8 -4.9 -1.5 -8.1 55 55 A K H 3< S+ 0 0 118 -4,-1.3 -1,-0.2 -49,-0.3 -2,-0.2 0.825 114.1 31.5 -68.2 -32.8 -6.5 -2.9 -11.2 56 56 A K H << S+ 0 0 122 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.671 119.8 55.2 -96.2 -19.0 -10.0 -2.4 -9.8 57 57 A L < + 0 0 59 -4,-2.1 3,-0.4 -5,-0.2 -1,-0.2 -0.771 47.1 151.9-120.5 86.6 -9.2 0.7 -7.8 58 58 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.629 77.4 63.9 -80.0 -16.8 -7.6 3.6 -9.8 59 59 A N S S+ 0 0 130 -3,-0.2 -29,-0.6 2,-0.1 2,-0.5 0.532 95.0 73.1 -83.5 -7.7 -9.1 6.1 -7.4 60 60 A V E S- b 0 30A 15 -3,-0.4 2,-0.6 -6,-0.1 -29,-0.2 -0.917 82.3-135.1-110.1 132.4 -7.0 4.6 -4.7 61 61 A L E - b 0 31A 28 -31,-2.8 -29,-3.0 -2,-0.5 2,-0.4 -0.782 22.1-164.6 -89.7 119.2 -3.3 5.2 -4.7 62 62 A F E - b 0 32A 5 -2,-0.6 -53,-3.0 -55,-0.3 2,-0.4 -0.865 4.8-169.8-106.6 142.5 -1.3 2.1 -4.0 63 63 A L E -ab 9 33A 0 -31,-2.1 -29,-3.2 -2,-0.4 2,-0.6 -0.993 15.3-149.1-136.0 136.7 2.3 2.2 -3.1 64 64 A K E -ab 10 34A 39 -55,-2.3 -53,-2.2 -2,-0.4 2,-0.6 -0.929 13.7-172.2-104.2 118.1 5.0 -0.5 -2.7 65 65 A V E -ab 11 35A 0 -31,-3.3 -29,-3.1 -2,-0.6 2,-0.6 -0.960 12.4-151.1-111.0 116.3 7.5 0.2 -0.1 66 66 A D E > - b 0 36A 29 -55,-0.7 4,-3.5 -2,-0.6 -29,-0.3 -0.771 3.8-152.7 -90.8 124.6 10.3 -2.2 -0.3 67 67 A T T 4 S+ 0 0 17 -31,-3.4 -30,-0.2 -2,-0.6 -1,-0.1 0.647 96.6 52.5 -72.4 -18.1 11.8 -2.7 3.1 68 68 A D T 4 S+ 0 0 95 -32,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.821 116.9 41.5 -80.7 -34.8 15.2 -3.6 1.7 69 69 A E T 4 S+ 0 0 80 1,-0.2 2,-0.7 2,-0.1 3,-0.2 0.978 128.8 25.7 -72.7 -63.9 15.1 -0.5 -0.3 70 70 A L S X S+ 0 0 13 -4,-3.5 4,-2.6 1,-0.2 -1,-0.2 -0.516 74.7 150.3-105.5 62.5 13.7 1.9 2.2 71 71 A K H > S+ 0 0 142 -2,-0.7 4,-1.3 -3,-0.5 -1,-0.2 0.834 73.4 49.6 -66.1 -34.9 14.9 0.1 5.4 72 72 A S H > S+ 0 0 94 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.876 111.3 49.7 -73.9 -34.3 15.2 3.3 7.4 73 73 A V H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.943 109.7 51.1 -67.4 -45.8 11.7 4.4 6.4 74 74 A A H <>S+ 0 0 5 -4,-2.6 5,-2.9 1,-0.2 4,-0.3 0.812 109.1 52.7 -60.8 -30.9 10.3 1.0 7.3 75 75 A S H <5S+ 0 0 91 -4,-1.3 -1,-0.2 3,-0.2 -2,-0.2 0.837 109.1 47.7 -75.2 -32.1 12.0 1.3 10.7 76 76 A D H <5S+ 0 0 139 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.886 114.1 45.7 -78.1 -37.0 10.5 4.8 11.4 77 77 A W T <5S- 0 0 78 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.574 116.3-124.6 -77.1 -9.4 7.0 3.6 10.4 78 78 A A T 5 + 0 0 77 -4,-0.3 2,-0.7 -5,-0.3 -3,-0.2 0.986 46.2 167.4 62.1 64.2 7.8 0.6 12.6 79 79 A I < + 0 0 22 -5,-2.9 -1,-0.2 1,-0.2 -2,-0.1 -0.922 13.4 145.6-108.1 102.8 7.3 -2.2 10.2 80 80 A Q + 0 0 189 -2,-0.7 2,-0.4 1,-0.1 -1,-0.2 0.696 57.3 67.9-108.0 -31.8 8.7 -5.4 11.6 81 81 A A S S- 0 0 41 -3,-0.2 18,-0.3 18,-0.0 -1,-0.1 -0.757 91.3-109.2 -92.1 135.5 6.3 -7.9 10.3 82 82 A M S S+ 0 0 62 -2,-0.4 18,-0.5 1,-0.2 -46,-0.1 -0.952 90.1 21.0-121.8 132.6 6.4 -8.4 6.6 83 83 A P S S- 0 0 0 0, 0.0 16,-1.7 0, 0.0 2,-0.5 0.587 71.3-178.7 -94.0 155.5 4.4 -7.5 4.7 84 84 A T E -CD 35 98A 6 -49,-2.2 -49,-3.2 14,-0.2 2,-0.6 -0.961 10.5-158.8-112.4 125.9 2.4 -4.8 6.3 85 85 A F E -CD 34 97A 1 12,-2.6 12,-3.4 -2,-0.5 2,-0.6 -0.893 7.8-162.6-104.5 121.5 -0.5 -3.3 4.4 86 86 A M E -CD 33 96A 11 -53,-3.6 -53,-2.8 -2,-0.6 2,-0.6 -0.922 3.7-159.0-112.6 124.2 -1.6 0.1 5.6 87 87 A F E +CD 32 95A 9 8,-3.4 8,-2.3 -2,-0.6 7,-2.2 -0.883 18.6 171.9-101.6 117.4 -4.9 1.5 4.6 88 88 A L E - D 0 93A 4 -57,-2.8 2,-0.4 -2,-0.6 -57,-0.4 -0.817 22.3-143.5-120.0 163.8 -5.1 5.2 4.8 89 89 A K E > S- D 0 92A 103 3,-3.5 3,-2.0 -2,-0.3 -59,-0.2 -0.985 80.7 -13.2-133.7 121.9 -7.8 7.6 3.7 90 90 A E T 3 S- 0 0 70 -2,-0.4 -62,-0.3 1,-0.3 -60,-0.2 0.685 129.1 -55.3 64.1 23.8 -7.1 11.0 2.3 91 91 A G T 3 S+ 0 0 24 -62,-0.4 2,-0.5 1,-0.3 -1,-0.3 0.311 117.1 114.2 91.8 -7.9 -3.5 10.6 3.6 92 92 A K E < S-D 89 0A 111 -3,-2.0 -3,-3.5 -67,-0.1 -1,-0.3 -0.845 73.7-113.2 -99.1 131.7 -4.7 9.9 7.1 93 93 A I E +D 88 0A 97 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.405 39.8 166.7 -66.7 128.8 -4.0 6.5 8.5 94 94 A L E - 0 0 89 -7,-2.2 2,-0.3 1,-0.4 -6,-0.2 0.802 59.1 -29.4-103.0 -59.3 -7.1 4.4 9.1 95 95 A D E -D 87 0A 25 -8,-2.3 -8,-3.4 2,-0.0 -1,-0.4 -0.985 50.2-147.3-160.4 157.6 -5.9 0.8 9.7 96 96 A K E -D 86 0A 121 -2,-0.3 2,-0.5 -10,-0.3 -10,-0.3 -0.947 11.7-137.3-133.5 157.1 -3.3 -1.6 8.8 97 97 A V E -D 85 0A 1 -12,-3.4 -12,-2.6 -2,-0.3 2,-0.7 -0.966 20.8-149.0-114.4 121.8 -2.9 -5.3 8.2 98 98 A V E -D 84 0A 75 -2,-0.5 -14,-0.2 -14,-0.2 -16,-0.1 -0.834 60.1 -6.0-100.7 115.6 0.1 -6.9 9.8 99 99 A G S S- 0 0 14 -16,-1.7 2,-0.9 -2,-0.7 -14,-0.2 -0.019 102.0 -54.2 90.4 163.1 1.5 -9.9 8.0 100 100 A A + 0 0 49 -18,-0.5 2,-0.5 -16,-0.1 -16,-0.1 -0.679 61.5 169.5 -78.8 110.0 0.2 -11.8 5.0 101 101 A K > - 0 0 77 -2,-0.9 4,-1.3 1,-0.2 5,-0.2 -0.967 14.8-170.4-124.2 109.6 -3.2 -12.7 6.0 102 102 A K H > S+ 0 0 136 -2,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.955 83.3 28.4 -70.6 -52.4 -5.1 -14.1 3.1 103 103 A D H > S+ 0 0 114 2,-0.2 4,-1.1 1,-0.2 3,-0.3 0.921 121.6 49.7 -75.2 -46.7 -8.7 -14.3 4.5 104 104 A E H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.857 102.9 62.1 -67.0 -34.2 -8.5 -11.5 7.0 105 105 A L H X S+ 0 0 2 -4,-1.3 4,-2.7 1,-0.3 -1,-0.2 0.919 100.6 55.0 -55.1 -44.4 -7.1 -9.1 4.4 106 106 A Q H X S+ 0 0 66 -4,-0.9 4,-2.9 -3,-0.3 -1,-0.3 0.867 106.4 50.5 -57.1 -39.2 -10.3 -9.5 2.5 107 107 A S H X S+ 0 0 71 -4,-1.1 4,-1.4 -3,-0.3 -1,-0.2 0.874 111.1 47.7 -70.5 -36.1 -12.2 -8.5 5.5 108 108 A T H X S+ 0 0 14 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.867 113.0 49.8 -70.7 -35.3 -10.1 -5.4 5.9 109 109 A I H >X S+ 0 0 22 -4,-2.7 4,-1.7 -5,-0.2 3,-0.7 0.950 108.7 51.1 -66.7 -46.9 -10.6 -4.7 2.2 110 110 A A H 3< S+ 0 0 64 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.809 103.1 61.8 -59.9 -31.6 -14.3 -5.1 2.5 111 111 A K H 3< S+ 0 0 141 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.908 114.4 33.1 -58.1 -44.2 -14.2 -2.7 5.4 112 112 A H H << S+ 0 0 38 -4,-1.2 2,-1.0 -3,-0.7 -2,-0.2 0.619 94.5 104.5 -88.2 -18.0 -12.9 -0.0 3.0 113 113 A L < 0 0 107 -4,-1.7 -4,-0.0 1,-0.1 -1,-0.0 -0.594 360.0 360.0 -75.5 102.4 -14.8 -1.3 0.0 114 114 A A 0 0 156 -2,-1.0 -1,-0.1 0, 0.0 -2,-0.1 -0.457 360.0 360.0-172.8 360.0 -17.6 1.2 -0.4