==== 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, OXIDOREDUCTASE 08-AUG-06 2HZF . COMPND 2 MOLECULE: GLUTAREDOXIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ECTROMELIA VIRUS; . AUTHOR J.P.BACIK,B.HAZES . 219 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 11.0 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 . 15 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 2 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 H 0 0 252 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -5.7 3.6 -6.9 35.6 2 -1 A H - 0 0 93 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.715 360.0-147.3-166.5 108.7 5.1 -6.2 32.3 3 0 A Q - 0 0 67 -2,-0.2 2,-0.2 52,-0.2 52,-0.1 -0.635 34.4-122.4 -77.8 140.2 3.8 -5.3 28.7 4 1 A M >> - 0 0 116 -2,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.533 10.1-127.4 -80.6 141.6 6.2 -6.7 26.1 5 2 A A H 3> S+ 0 0 7 1,-0.2 4,-2.7 -2,-0.2 5,-0.3 0.896 110.4 60.8 -52.0 -40.3 7.7 -4.2 23.6 6 3 A E H 3> S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 107.8 44.0 -56.0 -41.0 6.4 -6.4 20.8 7 4 A E H <> S+ 0 0 98 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.902 109.6 55.7 -71.3 -44.4 2.8 -5.9 22.0 8 5 A F H < S+ 0 0 2 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.927 116.8 36.8 -52.8 -48.9 3.3 -2.2 22.5 9 6 A V H >< S+ 0 0 0 -4,-2.7 3,-1.3 -5,-0.2 4,-0.3 0.955 118.5 46.0 -68.0 -53.3 4.4 -1.8 18.9 10 7 A Q H >< S+ 0 0 65 -4,-2.6 3,-1.8 -5,-0.3 -3,-0.2 0.879 102.5 63.5 -71.3 -32.3 2.2 -4.3 17.1 11 8 A Q T 3< S+ 0 0 110 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.760 105.8 49.1 -56.3 -24.8 -1.1 -3.2 18.9 12 9 A R T < S+ 0 0 47 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.3 0.420 95.4 88.5 -97.3 -1.1 -0.6 0.2 17.2 13 10 A L < + 0 0 14 -3,-1.8 2,-0.3 -4,-0.3 67,-0.1 -0.731 49.0 173.1 -97.1 152.8 -0.0 -1.0 13.6 14 11 A A > - 0 0 40 65,-0.3 3,-0.9 -2,-0.3 65,-0.1 -0.972 42.5-110.2-151.2 161.2 -2.7 -1.7 11.0 15 12 A N T 3 S+ 0 0 115 -2,-0.3 2,-0.4 1,-0.3 66,-0.1 0.898 115.7 35.7 -60.7 -40.9 -2.7 -2.6 7.3 16 13 A N T 3 S+ 0 0 103 63,-0.1 2,-0.3 90,-0.1 -1,-0.3 -0.478 104.6 90.8-111.0 58.2 -4.1 0.7 6.1 17 14 A K < - 0 0 24 -3,-0.9 62,-2.8 -2,-0.4 2,-0.5 -0.996 63.8-137.6-152.6 143.0 -2.4 3.0 8.6 18 15 A V E -aB 46 78A 0 27,-2.6 29,-2.2 -2,-0.3 2,-0.4 -0.950 25.9-175.7-101.0 125.0 0.8 5.1 9.0 19 16 A T E -aB 47 77A 0 58,-2.1 58,-2.7 -2,-0.5 2,-0.4 -0.991 4.2-172.5-121.2 129.3 2.3 4.8 12.5 20 17 A I E -aB 48 76A 0 27,-2.3 29,-3.3 -2,-0.4 2,-0.6 -0.988 13.0-149.1-124.8 129.0 5.3 6.8 13.6 21 18 A F E +aB 49 75A 0 54,-2.5 54,-1.5 -2,-0.4 2,-0.3 -0.906 31.4 162.2 -99.1 123.6 7.0 6.2 17.0 22 19 A V E -a 50 0A 12 27,-3.2 29,-3.1 -2,-0.6 2,-0.3 -0.807 34.0-130.2-134.6 165.8 8.6 9.4 18.4 23 20 A K - 0 0 63 -2,-0.3 3,-0.1 27,-0.2 6,-0.1 -0.941 34.9-110.8-116.0 148.8 10.0 11.0 21.5 24 21 A Y S S+ 0 0 212 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.858 111.9 31.9 -40.4 -52.6 9.1 14.5 22.7 25 22 A T S S+ 0 0 106 4,-0.0 -1,-0.2 -3,-0.0 0, 0.0 -0.945 78.0 122.3-116.6 112.7 12.5 15.9 21.9 26 23 A a > - 0 0 19 -2,-0.6 4,-1.6 -3,-0.1 5,-0.1 -0.828 46.6-152.1-170.7 115.0 14.1 14.2 19.0 27 24 A P H > S+ 0 0 102 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.883 97.6 50.2 -80.2 -32.5 15.1 16.5 16.2 28 25 A F H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.772 104.7 63.9 -68.5 -23.3 14.8 14.0 13.4 29 26 A a H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.953 103.7 43.7 -62.2 -50.5 11.4 13.3 14.9 30 27 A R H X S+ 0 0 48 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.931 112.6 53.3 -58.4 -42.9 10.1 16.8 14.2 31 28 A N H X S+ 0 0 53 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.886 111.6 45.5 -60.9 -40.3 11.6 16.6 10.7 32 29 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 3,-0.3 0.926 111.2 51.7 -68.5 -45.7 9.8 13.4 10.0 33 30 A L H X S+ 0 0 31 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.860 104.4 58.2 -60.9 -34.9 6.6 14.6 11.4 34 31 A D H < S+ 0 0 102 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.872 105.5 50.0 -64.7 -36.3 6.8 17.7 9.2 35 32 A I H >< S+ 0 0 14 -4,-1.3 3,-1.3 -3,-0.3 -2,-0.2 0.967 115.8 40.9 -62.2 -53.3 7.0 15.5 6.1 36 33 A L H >< S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.3 -2,-0.2 0.821 105.5 65.5 -66.0 -36.6 3.9 13.4 7.1 37 34 A N T 3< S+ 0 0 90 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.538 84.2 75.6 -69.0 -3.6 2.0 16.4 8.3 38 35 A K T < S+ 0 0 124 -3,-1.3 -1,-0.3 -4,-0.3 2,-0.3 0.685 92.2 66.4 -70.8 -18.2 1.9 17.7 4.7 39 36 A F S < S- 0 0 54 -3,-1.8 2,-0.5 -4,-0.1 69,-0.0 -0.725 78.6-130.1-109.2 158.0 -0.8 15.1 4.0 40 37 A S - 0 0 67 -2,-0.3 69,-2.2 69,-0.2 2,-0.3 -0.927 30.1-156.9-107.3 129.5 -4.4 14.7 5.2 41 38 A F B -D 108 0B 30 -2,-0.5 67,-0.3 67,-0.3 3,-0.1 -0.739 18.9-103.7-106.4 153.9 -5.2 11.2 6.4 42 39 A K > - 0 0 89 65,-2.5 3,-2.2 -2,-0.3 4,-0.3 -0.207 60.5 -74.4 -61.4 155.8 -8.4 9.2 6.8 43 40 A R T 3 S+ 0 0 248 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.351 120.1 4.8 -55.0 129.8 -9.8 8.9 10.3 44 41 A G T 3 S+ 0 0 63 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.417 101.8 108.2 76.9 1.0 -7.6 6.4 12.3 45 42 A A S < S+ 0 0 6 -3,-2.2 -27,-2.6 1,-0.1 2,-0.3 0.410 74.2 45.2 -89.9 1.6 -5.2 6.1 9.5 46 43 A Y E +a 18 0A 47 -4,-0.3 2,-0.4 -29,-0.2 -2,-0.2 -0.953 62.5 176.5-148.4 123.4 -2.3 8.0 11.1 47 44 A E E -a 19 0A 71 -29,-2.2 -27,-2.3 -2,-0.3 2,-0.6 -0.996 19.3-154.7-136.4 132.0 -1.0 7.8 14.7 48 45 A I E -a 20 0A 76 -2,-0.4 2,-0.6 -29,-0.2 -27,-0.2 -0.916 21.0-157.7-102.9 121.3 1.9 9.5 16.4 49 46 A V E -a 21 0A 3 -29,-3.3 -27,-3.2 -2,-0.6 2,-0.9 -0.869 9.0-145.5-112.2 118.5 3.1 7.2 19.3 50 47 A D E > -a 22 0A 65 -2,-0.6 3,-1.8 -29,-0.2 -27,-0.2 -0.727 7.5-157.7 -79.4 109.3 5.0 8.7 22.2 51 48 A I G > S+ 0 0 16 -29,-3.1 3,-2.5 -2,-0.9 -1,-0.1 0.696 80.4 83.2 -72.0 -8.7 7.5 6.0 23.2 52 49 A K G 3 S+ 0 0 70 -30,-0.3 -1,-0.3 1,-0.3 -29,-0.1 0.745 77.7 73.5 -64.6 -13.9 7.9 7.5 26.8 53 50 A E G < S+ 0 0 133 -3,-1.8 2,-0.5 1,-0.1 -1,-0.3 0.599 90.9 71.2 -67.3 -14.0 4.7 5.6 27.5 54 51 A F S < S- 0 0 10 -3,-2.5 6,-0.1 -4,-0.1 -1,-0.1 -0.944 75.0-140.4-112.4 133.3 6.8 2.4 27.4 55 52 A K S S+ 0 0 178 -2,-0.5 -52,-0.2 1,-0.2 2,-0.1 -0.982 77.0 39.9-134.9 143.7 9.4 1.2 30.0 56 53 A P >> - 0 0 42 0, 0.0 4,-1.4 0, 0.0 3,-1.2 0.409 69.0-159.1 -83.6 145.4 12.0 -0.0 30.0 57 54 A E H 3> S+ 0 0 90 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.839 88.0 60.3 -54.9 -38.3 13.2 2.0 27.0 58 55 A N H 3> S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.860 99.5 55.1 -64.7 -28.6 15.9 -0.6 26.3 59 56 A E H <> S+ 0 0 72 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.923 111.0 45.2 -71.5 -38.7 13.5 -3.4 25.7 60 57 A L H X S+ 0 0 2 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.937 112.0 51.9 -73.4 -40.4 11.7 -1.3 23.1 61 58 A R H X S+ 0 0 75 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.949 110.0 49.7 -53.7 -50.2 15.0 -0.3 21.5 62 59 A D H X S+ 0 0 71 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.900 112.3 47.6 -60.9 -40.1 16.0 -4.0 21.2 63 60 A Y H X S+ 0 0 36 -4,-2.0 4,-1.8 2,-0.2 5,-0.3 0.930 109.4 52.0 -65.9 -48.1 12.7 -4.9 19.6 64 61 A F H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 6,-0.7 0.890 108.0 54.1 -55.3 -40.0 12.8 -2.0 17.1 65 62 A E H X S+ 0 0 70 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.940 107.2 50.1 -58.3 -47.7 16.3 -3.2 16.2 66 63 A Q H < S+ 0 0 157 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 124.0 27.4 -60.3 -40.1 15.0 -6.8 15.5 67 64 A I H < S+ 0 0 65 -4,-1.8 15,-0.3 3,-0.1 -1,-0.2 0.561 135.2 26.1-107.0 -8.6 12.2 -5.7 13.2 68 65 A T H < S- 0 0 22 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.438 95.4-120.7-125.9 -6.5 13.4 -2.4 11.7 69 66 A G S < S+ 0 0 67 -4,-1.8 2,-0.3 -5,-0.4 -4,-0.2 0.400 86.1 77.2 76.8 -1.5 17.2 -2.7 11.8 70 67 A G - 0 0 18 -6,-0.7 -2,-0.2 1,-0.1 -3,-0.1 -0.971 62.7-151.7-138.9 158.3 17.6 0.4 14.0 71 68 A K + 0 0 47 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.2 0.705 67.4 69.0 -97.9 -30.3 17.1 1.2 17.7 72 69 A T S S- 0 0 88 2,-0.1 -2,-0.0 1,-0.1 -50,-0.0 -0.711 77.5 -63.7-114.0 152.1 16.1 4.8 17.9 73 70 A V S S+ 0 0 23 -2,-0.3 -45,-0.2 2,-0.1 -51,-0.2 -0.231 92.9 59.6 -69.8 157.7 13.2 7.1 17.0 74 71 A P + 0 0 4 0, 0.0 2,-0.4 0, 0.0 12,-0.2 0.585 63.1 172.9 -73.1 152.9 11.7 8.1 14.8 75 72 A R E -B 21 0A 24 -54,-1.5 -54,-2.5 -2,-0.1 2,-0.4 -1.000 15.0-158.8-123.9 123.7 10.6 4.6 13.6 76 73 A I E -BC 20 84A 0 8,-2.6 7,-2.9 -2,-0.4 8,-1.1 -0.900 9.2-169.5-114.1 138.4 8.1 4.8 10.7 77 74 A F E -BC 19 82A 2 -58,-2.7 -58,-2.1 -2,-0.4 2,-0.6 -0.982 10.9-164.5-127.7 125.7 5.6 2.1 9.6 78 75 A F E > S-BC 18 81A 14 3,-2.3 3,-1.4 -2,-0.4 -60,-0.2 -0.967 81.8 -35.7-105.7 108.9 3.5 2.1 6.4 79 76 A G T 3 S- 0 0 5 -62,-2.8 -65,-0.3 -2,-0.6 -60,-0.2 -0.578 123.8 -33.4 65.6-142.9 1.0 -0.5 7.2 80 77 A K T 3 S+ 0 0 106 -2,-0.2 2,-0.5 -67,-0.1 -1,-0.2 0.450 119.0 102.6 -85.8 3.2 2.7 -3.3 9.2 81 78 A T E < S-C 78 0A 97 -3,-1.4 -3,-2.3 -66,-0.1 2,-0.3 -0.722 71.6-127.0 -96.7 129.5 6.0 -2.7 7.3 82 79 A S E +C 77 0A 34 -2,-0.5 -5,-0.2 -15,-0.3 3,-0.1 -0.466 22.5 179.0 -73.4 129.2 8.9 -0.8 8.6 83 80 A I E - 0 0 44 -7,-2.9 2,-0.5 1,-0.3 -6,-0.2 0.677 39.8-132.8 -96.2 -27.9 10.2 2.0 6.5 84 81 A G E -C 76 0A 4 -8,-1.1 -8,-2.6 4,-0.1 -1,-0.3 -0.902 39.5 -37.7 110.4-127.0 13.0 3.0 8.9 85 82 A G S > S- 0 0 3 -2,-0.5 4,-1.9 -10,-0.2 3,-0.3 -0.244 75.4 -57.0-126.7-158.8 13.8 6.5 10.0 86 83 A Y H > S+ 0 0 39 1,-0.2 4,-3.0 -12,-0.2 5,-0.2 0.911 126.7 47.7 -61.0 -49.8 14.0 10.1 8.9 87 84 A S H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.824 110.1 55.9 -68.3 -23.1 16.4 9.8 6.0 88 85 A D H > S+ 0 0 59 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.930 112.3 41.6 -66.1 -45.1 14.4 6.8 4.7 89 86 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.909 113.0 53.3 -68.0 -43.6 11.3 8.9 4.6 90 87 A L H X S+ 0 0 38 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.913 106.3 54.3 -58.6 -41.6 13.2 11.9 3.2 91 88 A E H X S+ 0 0 63 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.895 108.5 47.8 -59.0 -43.6 14.5 9.7 0.4 92 89 A I H <>S+ 0 0 26 -4,-1.6 5,-2.3 2,-0.2 6,-0.8 0.927 114.1 47.9 -63.9 -41.9 11.0 8.6 -0.6 93 90 A D H ><5S+ 0 0 33 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.929 108.8 52.6 -63.9 -48.5 9.8 12.3 -0.5 94 91 A N H 3<5S+ 0 0 110 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.6 52.0 -59.3 -35.6 12.7 13.5 -2.5 95 92 A M T 3<5S- 0 0 137 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.438 111.8-124.7 -73.6 -1.8 12.0 10.9 -5.2 96 93 A D T < 5S+ 0 0 132 -3,-2.1 4,-0.3 -4,-0.1 -3,-0.2 0.825 80.0 118.6 55.7 35.9 8.4 12.2 -5.2 97 94 A A >< + 0 0 30 -5,-2.3 4,-2.0 -6,-0.2 -4,-0.2 0.558 47.0 84.1-102.6 -10.1 7.2 8.6 -4.5 98 95 A L H > S+ 0 0 1 -6,-0.8 4,-3.1 1,-0.2 5,-0.3 0.923 86.8 50.9 -69.1 -42.5 5.6 9.3 -1.1 99 96 A G H > S+ 0 0 24 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.912 111.9 48.0 -61.2 -42.7 2.2 10.5 -2.5 100 97 A D H > S+ 0 0 117 -4,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.866 112.5 48.5 -62.3 -41.9 1.9 7.5 -4.6 101 98 A I H X S+ 0 0 56 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.943 111.5 49.3 -65.8 -44.5 2.8 5.1 -1.7 102 99 A L H <>S+ 0 0 0 -4,-3.1 5,-1.5 1,-0.2 6,-0.5 0.883 111.4 50.6 -60.9 -39.1 0.4 6.8 0.6 103 100 A S H ><5S+ 0 0 72 -4,-2.3 3,-1.6 -5,-0.3 -1,-0.2 0.956 109.2 51.2 -60.1 -53.3 -2.4 6.5 -2.0 104 101 A S H 3<5S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.827 106.6 53.5 -53.5 -38.4 -1.7 2.8 -2.5 105 102 A I T 3<5S- 0 0 36 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.461 110.0-119.7 -90.8 4.2 -1.9 2.0 1.1 106 103 A G T < 5S+ 0 0 27 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.687 77.2 116.2 81.2 24.1 -5.3 3.6 1.6 107 104 A V < + 0 0 0 -5,-1.5 -65,-2.5 -66,-0.1 2,-0.3 0.504 44.2 100.4-104.4 -9.3 -4.5 6.2 4.2 108 105 A L B -D 41 0B 34 -6,-0.5 2,-0.4 -67,-0.3 -67,-0.3 -0.640 68.4-127.6 -88.0 138.7 -5.2 9.5 2.3 109 106 A R 0 0 176 -69,-2.2 -69,-0.2 -2,-0.3 -2,-0.1 -0.641 360.0 360.0 -75.1 132.0 -8.3 11.5 2.6 110 107 A T 0 0 187 -2,-0.4 -69,-0.0 -69,-0.0 -1,-0.0 -0.836 360.0 360.0-113.0 360.0 -9.8 12.2 -0.8 111 !* 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 0.0 112 -1 B H 0 0 135 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.9 22.4 7.6 -4.1 113 0 B Q - 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0 0 41 -7,-2.7 2,-0.5 1,-0.3 -6,-0.1 0.544 45.3-128.6 -87.7 -19.7 32.3 12.5 21.0 194 81 B G E -G 186 0C 5 -8,-1.0 -8,-3.3 4,-0.1 -1,-0.3 -0.928 45.4 -32.1 107.3-125.8 32.7 15.3 18.5 195 82 B G S > S- 0 0 4 -2,-0.5 4,-2.1 -10,-0.2 3,-0.4 -0.280 75.0 -63.2-123.0-163.1 36.1 16.2 17.1 196 83 B Y H > S+ 0 0 52 -12,-0.4 4,-3.1 1,-0.3 5,-0.2 0.901 126.3 54.9 -58.3 -47.3 39.8 16.4 17.8 197 84 B S H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.847 109.0 50.2 -55.2 -38.7 39.4 19.0 20.5 198 85 B D H > S+ 0 0 55 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.914 111.7 45.9 -64.9 -45.8 37.0 16.6 22.3 199 86 B L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.924 111.8 53.0 -62.3 -44.0 39.3 13.7 22.1 200 87 B L H X S+ 0 0 56 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.913 106.9 51.5 -64.1 -42.3 42.2 15.8 23.2 201 88 B E H X S+ 0 0 114 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.931 111.3 47.1 -60.1 -44.7 40.4 17.0 26.3 202 89 B I H <>S+ 0 0 28 -4,-1.9 5,-2.5 2,-0.2 6,-0.8 0.896 113.2 49.5 -63.8 -41.2 39.5 13.4 27.3 203 90 B D H ><5S+ 0 0 32 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.936 108.3 53.7 -62.1 -45.3 43.1 12.3 26.7 204 91 B N H 3<5S+ 0 0 115 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.816 107.9 49.2 -58.8 -36.2 44.4 15.2 28.8 205 92 B M T 3<5S- 0 0 129 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.321 112.6-120.7 -83.9 4.0 42.2 14.2 31.8 206 93 B D T < 5S+ 0 0 128 -3,-1.9 4,-0.3 -5,-0.1 -3,-0.2 0.805 80.2 122.0 53.1 39.8 43.5 10.7 31.5 207 94 B A >< + 0 0 28 -5,-2.5 4,-1.9 -6,-0.2 -4,-0.2 0.555 46.1 83.5 -99.0 -11.1 39.9 9.5 31.0 208 95 B L H > S+ 0 0 1 -6,-0.8 4,-2.7 1,-0.2 5,-0.3 0.899 87.3 50.3 -66.6 -46.9 40.4 7.9 27.6 209 96 B G H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 112.1 48.0 -58.0 -43.9 41.6 4.5 28.8 210 97 B D H > S+ 0 0 122 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.862 112.0 49.6 -63.4 -38.8 38.8 4.1 31.2 211 98 B I H X S+ 0 0 53 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.959 112.1 47.8 -67.0 -50.6 36.1 5.1 28.6 212 99 B L H <>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 6,-0.7 0.862 111.2 51.8 -59.7 -39.3 37.6 2.6 26.0 213 100 B S H ><5S+ 0 0 78 -4,-1.9 3,-1.3 -5,-0.3 -1,-0.2 0.944 108.7 50.4 -60.2 -47.1 37.7 -0.1 28.6 214 101 B S H 3<5S+ 0 0 107 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.866 107.5 52.8 -61.7 -38.5 34.0 0.5 29.5 215 102 B I T 3<5S- 0 0 36 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.402 111.2-120.8 -81.4 1.5 32.9 0.3 25.8 216 103 B G T < 5S+ 0 0 25 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.757 76.6 119.4 77.6 24.0 34.6 -3.1 25.4 217 104 B V < + 0 0 0 -5,-1.6 -65,-2.7 2,-0.1 2,-0.3 0.585 44.0 97.8 -95.8 -17.9 37.0 -2.1 22.5 218 105 B L B S-H 151 0D 31 -6,-0.7 -67,-0.3 -67,-0.3 2,-0.0 -0.565 77.3-114.1 -84.5 140.1 40.4 -2.8 24.2 219 106 B R 0 0 169 -69,-2.1 -69,-0.2 -2,-0.3 -1,-0.1 -0.371 360.0 360.0 -59.1 140.9 42.4 -6.0 23.6 220 107 B T 0 0 170 -2,-0.0 -1,-0.2 -69,-0.0 -69,-0.0 0.534 360.0 360.0-132.9 360.0 42.6 -7.9 26.9