==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-MAR-11 3R7C . COMPND 2 MOLECULE: FAD-LINKED SULFHYDRYL OXIDASE ALR; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Q.J FLORENCE,C.-K.WU,J.T.SWINDELL II,B.C.WANG,J.P.ROSE . 444 4 12 8 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 19 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 49.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.7 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 1 4 0 2 0 0 0 0 0 1 0 0 0 8 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 14 A D 0 0 128 0, 0.0 3,-0.1 0, 0.0 328,-0.1 0.000 360.0 360.0 360.0 41.4 63.3 16.9 43.1 2 15 A a - 0 0 42 1,-0.2 323,-0.1 327,-0.1 3,-0.1 -0.661 360.0 -72.0-102.2 164.3 63.8 19.2 46.1 3 16 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.143 60.4 -96.6 -50.2 149.0 61.1 21.3 47.9 4 17 A Q - 0 0 33 322,-0.3 2,-0.1 235,-0.2 322,-0.0 -0.525 34.5-149.8 -70.2 128.5 59.7 24.2 46.0 5 18 A D > - 0 0 79 -2,-0.3 4,-2.7 -3,-0.1 5,-0.3 -0.430 40.1 -88.7 -85.2 176.2 61.3 27.6 46.8 6 19 A R H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.878 128.0 48.8 -53.6 -44.3 59.2 30.7 46.5 7 20 A E H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 114.3 44.2 -63.2 -43.9 60.1 31.2 42.8 8 21 A E H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 114.5 47.6 -72.3 -45.9 59.4 27.6 41.8 9 22 A L H X S+ 0 0 8 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.849 110.4 54.8 -60.2 -36.4 56.1 27.4 43.7 10 23 A G H X S+ 0 0 9 -4,-1.9 4,-2.9 -5,-0.3 5,-0.3 0.964 108.5 47.4 -60.3 -51.0 55.1 30.7 42.2 11 24 A R H X S+ 0 0 156 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.872 113.4 48.4 -57.8 -42.6 55.6 29.4 38.7 12 25 A N H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.928 114.2 46.9 -59.1 -46.7 53.7 26.2 39.5 13 26 A T H X S+ 0 0 4 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.871 109.6 49.1 -73.9 -40.2 50.8 28.2 41.0 14 27 A W H X S+ 0 0 51 -4,-2.9 4,-3.4 2,-0.2 5,-0.4 0.928 112.1 51.9 -62.0 -42.5 50.4 30.8 38.3 15 28 A A H X S+ 0 0 3 -4,-1.5 4,-1.4 -5,-0.3 -2,-0.2 0.917 114.1 42.6 -59.4 -46.1 50.4 28.0 35.7 16 29 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.961 118.0 45.3 -63.3 -52.6 47.7 26.2 37.6 17 30 A L H X S+ 0 0 3 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.921 113.7 46.7 -60.2 -49.1 45.6 29.3 38.4 18 31 A H H X S+ 0 0 8 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.840 114.9 48.3 -65.9 -31.3 45.8 30.8 34.9 19 32 A T H X S+ 0 0 3 -4,-1.4 4,-1.3 -5,-0.4 -1,-0.2 0.867 108.7 54.4 -73.9 -37.4 44.9 27.4 33.4 20 33 A L H >< S+ 0 0 3 -4,-2.6 3,-0.5 1,-0.2 4,-0.3 0.952 113.1 42.4 -55.6 -49.1 42.1 27.1 35.9 21 34 A A H >< S+ 0 0 1 -4,-2.6 3,-1.2 1,-0.2 53,-0.3 0.888 107.6 60.4 -68.7 -39.2 40.7 30.5 34.7 22 35 A A H 3< S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.776 112.9 37.7 -56.8 -30.8 41.3 29.7 31.0 23 36 A Y T << S+ 0 0 124 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.311 86.6 119.4-109.7 8.3 39.0 26.7 31.2 24 37 A Y S < S- 0 0 4 -3,-1.2 46,-0.1 -4,-0.3 50,-0.1 -0.421 80.3 -86.4 -65.0 146.0 36.4 28.2 33.5 25 38 A P - 0 0 43 0, 0.0 45,-0.4 0, 0.0 -1,-0.1 -0.314 21.9-138.4 -65.6 139.4 33.0 28.4 31.8 26 39 A D S S+ 0 0 92 1,-0.3 45,-0.2 43,-0.2 44,-0.1 0.849 106.5 31.7 -55.7 -34.3 32.2 31.3 29.6 27 40 A M S S- 0 0 171 42,-0.1 -1,-0.3 43,-0.1 42,-0.1 -0.576 85.5-174.7-128.3 67.4 28.7 31.2 31.2 28 41 A P - 0 0 10 0, 0.0 -4,-0.0 0, 0.0 39,-0.0 -0.363 24.8-119.6 -68.4 141.9 29.1 29.9 34.8 29 42 A T > - 0 0 69 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.152 33.2-101.0 -64.6 168.1 26.0 29.3 36.8 30 43 A P H > S+ 0 0 84 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.929 124.5 53.6 -59.0 -42.1 25.5 31.2 40.0 31 44 A E H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.855 110.3 46.7 -61.6 -37.6 26.7 28.2 42.1 32 45 A Q H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.889 108.6 55.0 -71.1 -40.8 29.9 28.0 40.0 33 46 A Q H X S+ 0 0 62 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.870 113.2 44.2 -56.1 -35.9 30.4 31.8 40.3 34 47 A Q H X S+ 0 0 47 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.809 110.8 52.1 -83.0 -32.3 30.2 31.2 44.1 35 48 A D H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.913 111.7 47.1 -67.3 -43.4 32.4 28.1 44.2 36 49 A M H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.946 112.5 49.0 -67.6 -44.1 35.2 29.9 42.3 37 50 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.953 114.3 46.2 -56.3 -49.8 35.0 33.0 44.5 38 51 A Q H X S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.899 109.7 54.7 -60.5 -42.1 35.1 30.8 47.6 39 52 A F H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.933 108.5 48.2 -57.0 -46.9 38.0 28.8 46.1 40 53 A I H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.897 110.9 51.7 -65.1 -36.8 40.0 31.9 45.6 41 54 A H H X S+ 0 0 2 -4,-2.1 4,-1.0 132,-0.2 -2,-0.2 0.924 111.5 45.5 -62.7 -47.2 39.3 33.1 49.1 42 55 A I H >X S+ 0 0 3 -4,-2.7 4,-1.1 1,-0.2 3,-0.6 0.888 110.1 56.1 -64.1 -39.2 40.4 29.8 50.7 43 56 A F H >X S+ 0 0 13 -4,-2.5 4,-2.2 -5,-0.2 3,-0.7 0.913 102.8 55.6 -56.0 -43.6 43.5 29.9 48.5 44 57 A S H 3< S+ 0 0 9 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.779 107.2 50.1 -62.8 -27.1 44.4 33.3 49.9 45 58 A K H << S+ 0 0 80 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.721 120.3 32.3 -83.3 -19.8 44.3 32.0 53.4 46 59 A F H << S+ 0 0 27 -4,-1.1 -2,-0.2 -3,-0.7 -3,-0.1 0.608 79.1 117.9-116.1 -15.1 46.6 29.0 52.7 47 60 A Y < - 0 0 40 -4,-2.2 2,-0.6 -5,-0.2 9,-0.1 -0.362 69.2-121.0 -58.8 126.0 49.1 29.9 50.0 48 61 A P + 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.595 56.9 139.9 -73.7 117.0 52.6 29.7 51.6 49 62 A b > - 0 0 47 -2,-0.6 3,-1.6 3,-0.1 2,-0.2 -0.378 30.3-167.7-156.0 65.6 54.2 33.1 51.3 50 63 A E T 3 S- 0 0 59 1,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.425 77.6 -8.7 -65.7 122.9 56.1 33.9 54.5 51 64 A E T 3 S+ 0 0 83 -2,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.836 92.0 165.7 60.0 33.5 57.1 37.5 54.6 52 65 A b < - 0 0 31 -3,-1.6 -1,-0.2 2,-0.2 -3,-0.1 -0.552 43.0-133.9 -77.5 147.1 56.0 38.1 51.1 53 66 A A S S+ 0 0 75 -2,-0.2 2,-0.6 31,-0.1 -1,-0.1 0.840 91.4 76.5 -69.5 -32.4 55.6 41.7 50.0 54 67 A E S S- 0 0 17 1,-0.1 2,-1.3 30,-0.0 -2,-0.2 -0.711 71.2-155.6 -81.6 117.4 52.2 40.9 48.4 55 68 A D > + 0 0 53 -2,-0.6 4,-2.2 1,-0.2 5,-0.1 -0.740 19.7 174.5 -88.3 87.9 49.6 40.6 51.1 56 69 A I H > S+ 0 0 27 -2,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.775 71.5 61.2 -74.0 -23.5 47.3 38.3 49.0 57 70 A R H > S+ 0 0 29 2,-0.2 4,-1.1 -13,-0.2 -1,-0.2 0.980 112.8 36.9 -59.4 -55.3 44.8 37.8 51.8 58 71 A K H > S+ 0 0 77 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.876 115.1 56.4 -65.5 -37.9 44.1 41.5 52.0 59 72 A R H >X S+ 0 0 45 -4,-2.2 4,-2.4 1,-0.2 3,-0.7 0.907 105.8 49.4 -64.4 -42.8 44.3 41.9 48.3 60 73 A I H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.734 111.7 50.3 -69.5 -23.6 41.6 39.2 47.6 61 74 A D H 3< S+ 0 0 12 -4,-1.1 3,-0.2 -3,-0.3 92,-0.2 0.547 117.0 39.5 -87.5 -10.4 39.3 40.9 50.2 62 75 A R H << S+ 0 0 25 -4,-0.8 2,-0.8 -3,-0.7 -2,-0.2 0.835 126.2 30.9-103.2 -52.1 39.7 44.4 48.7 63 76 A S S < S- 0 0 26 -4,-2.4 -1,-0.2 -5,-0.2 3,-0.1 -0.751 96.3-152.7-104.7 79.3 39.7 43.7 44.9 64 77 A Q - 0 0 33 -2,-0.8 -3,-0.1 -3,-0.2 -4,-0.1 -0.176 24.3 -92.2 -63.7 142.7 37.4 40.6 45.2 65 78 A P - 0 0 2 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.279 34.9-142.9 -55.2 129.5 37.7 37.9 42.5 66 79 A D + 0 0 60 6,-0.2 3,-0.3 7,-0.1 10,-0.3 -0.870 27.9 169.1 -99.4 107.9 35.2 38.6 39.7 67 80 A T + 0 0 9 -2,-0.8 -31,-0.1 1,-0.2 -1,-0.1 0.083 37.5 115.2-112.9 23.2 33.9 35.2 38.7 68 81 A S S S- 0 0 56 1,-0.1 2,-0.3 -41,-0.1 -1,-0.2 0.827 87.1 -5.5 -59.5 -39.1 31.0 36.3 36.4 69 82 A T S > S- 0 0 41 -3,-0.3 4,-2.6 -42,-0.1 5,-0.2 -0.945 74.3 -98.9-152.3 167.0 32.6 34.8 33.3 70 83 A R H > S+ 0 0 19 -45,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.918 124.1 45.6 -55.8 -47.7 35.8 33.1 32.0 71 84 A V H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.889 112.7 50.4 -69.9 -38.1 37.1 36.4 30.6 72 85 A S H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 -6,-0.2 0.945 115.4 42.3 -58.4 -51.9 36.2 38.3 33.8 73 86 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.912 114.5 52.3 -63.3 -43.9 38.0 35.8 36.0 74 87 A S H X S+ 0 0 4 -4,-2.7 4,-1.6 -53,-0.3 -1,-0.2 0.887 113.1 43.5 -59.4 -44.4 40.9 35.5 33.5 75 88 A Q H X S+ 0 0 48 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.894 112.3 52.5 -73.3 -40.2 41.4 39.3 33.5 76 89 A W H X S+ 0 0 10 -4,-2.7 4,-2.5 -10,-0.3 -2,-0.2 0.916 111.1 47.2 -59.2 -44.4 41.0 39.6 37.3 77 90 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.866 110.7 52.9 -67.0 -33.8 43.6 37.0 37.8 78 91 A c H X S+ 0 0 3 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.895 109.3 48.1 -68.7 -40.3 45.9 38.7 35.3 79 92 A R H X S+ 0 0 118 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.940 111.4 50.8 -64.7 -46.7 45.6 42.0 37.1 80 93 A L H >X S+ 0 0 7 -4,-2.5 4,-1.6 1,-0.2 3,-0.8 0.957 110.4 49.2 -52.2 -53.4 46.3 40.2 40.4 81 94 A H H 3X S+ 0 0 37 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.890 108.8 54.0 -56.7 -39.9 49.4 38.6 38.9 82 95 A N H 3X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.801 101.3 58.4 -66.6 -27.0 50.5 42.0 37.6 83 96 A E H S+ 0 0 17 -4,-2.5 5,-2.5 1,-0.2 4,-0.7 0.924 106.2 52.1 -50.8 -46.9 54.9 41.6 39.0 86 99 A R H ><5S+ 0 0 165 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.913 108.4 48.6 -61.8 -45.8 55.1 45.3 40.0 87 100 A K H 3<5S+ 0 0 102 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.803 116.1 45.3 -61.5 -29.5 56.3 44.7 43.5 88 101 A L H 3<5S- 0 0 103 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.421 113.8-112.4 -97.8 0.1 59.0 42.4 42.2 89 102 A G T <<5 + 0 0 69 -3,-1.0 -3,-0.2 -4,-0.7 -4,-0.1 0.748 69.3 140.5 73.3 22.7 60.2 44.5 39.3 90 103 A K < - 0 0 118 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.741 58.1 -99.7 -92.4 147.5 58.9 42.1 36.6 91 104 A P - 0 0 112 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.267 41.2 -94.6 -67.5 152.3 57.3 43.7 33.5 92 105 A D - 0 0 86 -7,-0.1 2,-0.5 1,-0.1 -10,-0.0 -0.428 35.3-133.6 -62.8 135.7 53.5 44.1 33.1 93 106 A F - 0 0 65 -15,-0.2 2,-1.0 -2,-0.1 -11,-0.1 -0.811 23.2-115.0 -92.3 133.5 52.0 41.3 31.2 94 107 A D > - 0 0 89 -2,-0.5 3,-2.6 1,-0.2 4,-0.0 -0.596 24.9-157.2 -72.2 103.4 49.5 42.4 28.5 95 108 A c G > S+ 0 0 21 -2,-1.0 3,-1.5 1,-0.3 4,-0.2 0.691 85.5 71.3 -62.1 -19.2 46.3 41.0 29.9 96 109 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.558 95.9 54.0 -73.3 -6.1 44.7 41.1 26.4 97 110 A R G <> S+ 0 0 84 -3,-2.6 4,-2.2 1,-0.1 -1,-0.3 0.185 72.7 111.1-111.3 17.5 47.0 38.2 25.5 98 111 A V H <> S+ 0 0 9 -3,-1.5 4,-2.0 1,-0.2 5,-0.2 0.840 77.5 49.6 -62.5 -35.9 46.0 36.0 28.4 99 112 A D H >>S+ 0 0 42 2,-0.2 5,-3.0 -4,-0.2 4,-2.1 0.879 109.1 51.4 -71.3 -39.2 44.2 33.5 26.1 100 113 A E H 4>S+ 0 0 34 4,-0.2 5,-1.9 3,-0.2 -2,-0.2 0.952 115.0 44.5 -58.4 -47.4 47.1 33.2 23.7 101 114 A R H <5S+ 0 0 33 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.864 128.7 20.0 -66.0 -41.7 49.4 32.5 26.6 102 115 A W H <5S+ 0 0 24 -4,-2.0 126,-0.3 -5,-0.2 -3,-0.2 0.531 134.3 14.9-117.6 -8.5 47.3 30.0 28.6 103 116 A R T <5S+ 0 0 76 -4,-2.1 -3,-0.2 -5,-0.2 -4,-0.1 0.651 125.9 23.4-126.6 -50.0 44.7 28.4 26.3 104 117 A D T - 0 0 41 -6,-0.1 3,-1.9 1,-0.1 5,-0.3 -0.196 51.7-116.8 -51.4 144.5 50.3 32.8 20.4 107 120 A K T 3 S+ 0 0 171 1,-0.3 -1,-0.1 2,-0.1 4,-0.0 0.792 109.3 74.9 -56.1 -28.7 48.8 33.8 17.1 108 121 A D T 3 S- 0 0 119 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.454 107.1-121.7 -67.9 -0.4 52.2 33.3 15.4 109 122 A G S < S+ 0 0 60 -3,-1.9 -2,-0.1 1,-0.1 -1,-0.1 0.506 70.5 133.6 80.4 6.8 51.6 29.6 15.6 110 123 A S 0 0 76 -4,-0.1 -1,-0.1 0, 0.0 -3,-0.1 0.246 360.0 360.0 -78.0 16.7 54.7 28.7 17.6 111 124 A d 0 0 81 -5,-0.3 -6,-0.1 -7,-0.1 115,-0.0 -0.442 360.0 360.0-130.1 360.0 52.7 26.4 20.0 112 !* 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 14 B D 0 0 126 0, 0.0 3,-0.1 0, 0.0 334,-0.1 0.000 360.0 360.0 360.0 39.8 22.6 48.0 81.1 114 15 B e - 0 0 43 1,-0.1 323,-0.1 327,-0.1 324,-0.1 -0.768 360.0 -79.9-110.8 158.9 23.1 44.2 80.7 115 16 B P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 323,-0.1 -0.117 54.8 -99.7 -56.1 155.6 25.2 42.4 78.1 116 17 B Q - 0 0 32 322,-0.3 2,-0.1 235,-0.1 322,-0.0 -0.642 30.1-150.8 -83.4 127.4 23.6 41.9 74.7 117 18 B D > - 0 0 81 -2,-0.4 4,-2.6 1,-0.1 5,-0.4 -0.318 43.5 -86.2 -81.3 177.6 22.0 38.5 73.8 118 19 B R H > S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.820 128.7 48.6 -56.8 -32.3 22.0 37.4 70.2 119 20 B E H > S+ 0 0 105 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.931 112.8 43.8 -74.5 -48.7 18.7 39.3 69.5 120 21 B E H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.936 116.5 47.3 -63.6 -46.5 19.7 42.6 71.0 121 22 B L H X S+ 0 0 8 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.892 108.5 57.2 -63.4 -40.1 23.2 42.5 69.4 122 23 B G H X S+ 0 0 11 -4,-1.5 4,-2.6 -5,-0.4 5,-0.3 0.953 108.8 45.1 -51.1 -53.6 21.5 41.6 66.2 123 24 B R H X S+ 0 0 151 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.939 112.6 50.4 -60.6 -50.4 19.3 44.7 66.3 124 25 B N H X S+ 0 0 18 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.927 114.6 45.4 -47.1 -50.5 22.3 47.0 67.2 125 26 B T H X S+ 0 0 3 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.874 111.1 47.6 -72.3 -44.4 24.4 45.6 64.3 126 27 B W H X S+ 0 0 48 -4,-2.6 4,-3.2 2,-0.2 5,-0.4 0.906 112.4 53.5 -60.9 -39.7 21.9 45.6 61.5 127 28 B A H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.958 113.7 41.7 -58.3 -50.6 21.0 49.2 62.6 128 29 B F H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.956 117.5 46.5 -59.4 -53.6 24.7 50.1 62.3 129 30 B L H X S+ 0 0 2 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.937 114.9 45.3 -57.4 -51.0 25.3 48.2 59.1 130 31 B H H X S+ 0 0 10 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.879 114.9 48.2 -63.3 -38.3 22.2 49.5 57.3 131 32 B T H X S+ 0 0 3 -4,-2.1 4,-1.6 -5,-0.4 -1,-0.2 0.895 110.3 51.7 -66.8 -39.9 22.9 53.1 58.4 132 33 B L H < S+ 0 0 3 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.917 112.0 46.8 -62.6 -41.9 26.5 52.8 57.3 133 34 B A H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 53,-0.3 0.829 106.6 58.8 -65.7 -34.9 25.4 51.6 53.9 134 35 B A H 3< S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.867 111.0 40.9 -64.7 -35.4 22.8 54.4 53.6 135 36 B Y T 3< S+ 0 0 124 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.332 86.7 117.4 -98.7 9.0 25.5 57.0 54.0 136 37 B Y S < S- 0 0 4 -3,-0.8 46,-0.1 -4,-0.3 2,-0.1 -0.405 79.4 -89.1 -69.2 150.2 28.0 55.3 51.7 137 38 B P - 0 0 43 0, 0.0 45,-0.5 0, 0.0 -1,-0.1 -0.390 20.1-133.6 -70.1 143.3 28.8 57.4 48.6 138 39 B D S S+ 0 0 91 1,-0.3 45,-0.2 43,-0.2 44,-0.2 0.818 107.4 27.9 -57.8 -31.7 26.7 57.1 45.4 139 40 B M S S- 0 0 167 42,-0.2 -1,-0.3 43,-0.1 42,-0.1 -0.600 84.1-172.1-135.8 74.0 30.0 57.0 43.6 140 41 B P - 0 0 10 0, 0.0 -4,-0.0 0, 0.0 39,-0.0 -0.269 24.5-119.3 -62.6 146.5 32.8 55.5 45.7 141 42 B T > - 0 0 69 1,-0.1 4,-2.4 4,-0.0 3,-0.3 -0.386 35.1 -99.9 -76.1 164.9 36.4 55.6 44.5 142 43 B P H > S+ 0 0 81 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.882 125.7 56.4 -55.8 -37.0 38.2 52.3 44.1 143 44 B E H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.878 109.8 44.9 -60.6 -40.0 39.9 52.9 47.4 144 45 B Q H > S+ 0 0 59 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.866 110.9 53.5 -72.1 -37.7 36.5 53.3 49.1 145 46 B Q H X S+ 0 0 58 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.936 113.2 43.7 -57.9 -46.9 35.1 50.2 47.3 146 47 B Q H X S+ 0 0 37 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.895 110.6 54.5 -68.4 -44.1 38.0 48.1 48.5 147 48 B D H X S+ 0 0 8 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.897 112.2 43.2 -54.7 -46.3 37.9 49.5 52.1 148 49 B M H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.870 112.6 52.4 -75.0 -36.0 34.2 48.6 52.5 149 50 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.933 114.3 44.4 -59.4 -42.7 34.7 45.2 50.8 150 51 B Q H X S+ 0 0 4 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.934 110.1 54.1 -68.9 -47.0 37.5 44.6 53.3 151 52 B F H X S+ 0 0 1 -4,-3.0 4,-3.2 2,-0.2 -1,-0.2 0.940 110.7 47.0 -47.0 -52.9 35.5 46.0 56.2 152 53 B I H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.923 111.5 50.6 -61.6 -43.6 32.7 43.5 55.4 153 54 B H H X S+ 0 0 2 -4,-2.2 4,-0.6 -92,-0.2 -1,-0.2 0.914 112.8 46.2 -58.2 -44.0 35.1 40.6 55.1 154 55 B I H >X S+ 0 0 1 -4,-3.0 3,-1.3 1,-0.2 4,-1.2 0.929 110.4 53.4 -66.5 -45.7 36.7 41.5 58.5 155 56 B F H >X S+ 0 0 13 -4,-3.2 4,-2.1 -5,-0.2 3,-0.7 0.906 101.9 61.0 -48.2 -44.9 33.2 41.8 60.0 156 57 B S H 3< S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.3 13,-0.2 0.728 107.7 43.5 -61.7 -22.6 32.4 38.4 58.7 157 58 B K H << S+ 0 0 58 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.682 119.9 39.1 -95.0 -20.8 35.2 36.8 60.7 158 59 B F H << S+ 0 0 19 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.1 0.559 77.2 111.9-111.7 -12.2 34.6 38.7 64.0 159 60 B Y S < S- 0 0 33 -4,-2.1 2,-0.7 -5,-0.2 9,-0.1 -0.503 70.4-127.7 -64.6 121.2 30.9 38.9 64.5 160 61 B P + 0 0 32 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.627 47.9 151.6 -74.6 112.5 30.1 36.7 67.5 161 62 B f > - 0 0 56 -2,-0.7 3,-1.1 3,-0.1 2,-0.4 -0.712 20.5-173.4-147.0 88.8 27.3 34.4 66.3 162 63 B E T 3 S+ 0 0 65 1,-0.3 -44,-0.1 -2,-0.2 3,-0.0 -0.990 72.8 4.5-141.2 130.3 27.1 31.0 68.0 163 64 B E T 3 S+ 0 0 68 -2,-0.4 -1,-0.3 1,-0.0 2,-0.3 -0.007 89.7 155.3-103.8 103.0 25.4 28.9 67.3 164 65 B f < - 0 0 39 -3,-1.1 -3,-0.1 2,-0.1 -1,-0.0 -0.632 38.7-147.9 -88.9 140.1 24.0 30.7 64.2 165 66 B A S S+ 0 0 79 -2,-0.3 2,-0.5 31,-0.1 -1,-0.1 0.764 83.2 81.1 -74.1 -27.6 22.5 28.8 61.3 166 67 B E S S- 0 0 18 1,-0.1 2,-1.1 30,-0.1 3,-0.2 -0.733 71.6-153.5 -82.5 123.5 23.7 31.6 58.9 167 68 B D > + 0 0 83 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 -0.753 20.0 173.0 -97.8 84.9 27.3 31.1 58.0 168 69 B I H > S+ 0 0 24 -2,-1.1 4,-2.6 2,-0.2 5,-0.2 0.825 74.0 58.6 -66.0 -31.9 28.4 34.7 57.3 169 70 B R H > S+ 0 0 24 -13,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.986 115.4 35.6 -60.7 -53.3 32.1 33.9 56.9 170 71 B K H >> S+ 0 0 68 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.938 117.2 53.4 -65.1 -46.8 31.3 31.4 54.1 171 72 B R H >X S+ 0 0 52 -4,-3.0 4,-2.4 1,-0.3 3,-0.6 0.845 104.8 54.5 -59.6 -36.4 28.5 33.5 52.7 172 73 B I H 3< S+ 0 0 1 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.705 109.0 49.0 -72.0 -19.1 30.6 36.7 52.4 173 74 B D H << S+ 0 0 17 -3,-1.0 -132,-0.2 -4,-0.8 -1,-0.2 0.562 118.7 38.5 -91.2 -11.5 33.3 34.7 50.3 174 75 B R H << S+ 0 0 21 -4,-0.8 2,-0.8 -3,-0.6 -2,-0.2 0.827 125.8 30.7-105.0 -53.1 30.7 33.2 48.0 175 76 B S S < S- 0 0 25 -4,-2.4 -1,-0.2 -5,-0.2 3,-0.1 -0.734 95.2-152.4-105.1 80.7 28.2 36.0 47.4 176 77 B Q - 0 0 34 -2,-0.8 -3,-0.1 -3,-0.2 2,-0.1 -0.190 22.4 -96.0 -66.8 142.0 30.7 38.8 47.8 177 78 B P - 0 0 0 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.363 34.2-140.7 -54.7 119.8 29.6 42.3 49.0 178 79 B D + 0 0 68 6,-0.3 3,-0.3 1,-0.1 10,-0.3 -0.793 30.1 169.3 -87.1 104.0 29.0 44.4 45.9 179 80 B T + 0 0 8 -2,-1.0 -1,-0.1 1,-0.2 -31,-0.1 0.186 38.3 112.5-100.5 15.7 30.4 47.8 47.0 180 81 B S S S+ 0 0 49 1,-0.1 2,-0.3 -41,-0.1 -1,-0.2 0.840 87.5 2.6 -63.3 -30.8 30.4 49.6 43.6 181 82 B T S > S- 0 0 51 -3,-0.3 4,-2.3 -42,-0.1 5,-0.3 -0.945 74.8-104.8-146.4 165.3 27.7 52.1 44.6 182 83 B R H > S+ 0 0 17 -45,-0.5 4,-2.8 -2,-0.3 5,-0.2 0.922 122.3 48.6 -55.9 -44.5 25.6 53.0 47.6 183 84 B V H > S+ 0 0 79 2,-0.2 4,-2.6 -45,-0.2 5,-0.2 0.941 111.2 47.7 -63.0 -49.2 22.6 51.3 45.9 184 85 B S H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -6,-0.3 0.898 117.9 41.8 -60.8 -40.0 24.5 48.1 45.1 185 86 B F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.904 113.7 50.6 -77.7 -44.4 25.9 47.8 48.6 186 87 B S H X S+ 0 0 7 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.908 115.3 45.2 -51.9 -46.3 22.6 48.8 50.4 187 88 B Q H X S+ 0 0 53 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.902 111.4 52.1 -68.0 -40.4 20.8 46.2 48.3 188 89 B W H X S+ 0 0 7 -4,-2.2 4,-2.4 -10,-0.3 -2,-0.2 0.932 111.0 47.4 -59.9 -46.3 23.5 43.6 48.9 189 90 B L H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.861 110.6 52.5 -67.0 -35.1 23.2 44.1 52.6 190 91 B g H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.892 109.0 49.3 -67.3 -39.3 19.4 43.9 52.4 191 92 B R H X S+ 0 0 118 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.917 110.9 50.8 -66.4 -39.4 19.6 40.6 50.6 192 93 B L H X S+ 0 0 5 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.901 109.3 50.3 -59.8 -43.8 22.0 39.3 53.2 193 94 B H H X S+ 0 0 36 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.882 109.5 51.1 -65.8 -37.8 19.7 40.4 56.0 194 95 B N H X S+ 0 0 6 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.840 101.5 61.8 -67.5 -32.5 16.8 38.6 54.3 195 96 B E H X S+ 0 0 39 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.941 108.4 42.7 -56.9 -46.2 18.9 35.5 54.1 196 97 B V H X S+ 0 0 27 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.854 110.9 56.4 -67.9 -34.5 19.0 35.4 57.9 197 98 B N H <>S+ 0 0 16 -4,-1.8 5,-3.0 2,-0.2 4,-0.5 0.939 105.6 51.8 -62.9 -46.9 15.3 36.3 58.0 198 99 B R H ><5S+ 0 0 151 -4,-3.1 3,-2.0 1,-0.2 -2,-0.2 0.951 107.6 51.2 -46.6 -58.0 14.5 33.3 55.9 199 100 B K H 3<5S+ 0 0 99 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.780 115.2 43.0 -59.6 -24.5 16.5 31.0 58.2 200 101 B L T 3<5S- 0 0 106 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.387 113.0-115.8-100.5 3.8 14.6 32.3 61.2 201 102 B G T < 5 + 0 0 69 -3,-2.0 -3,-0.2 -4,-0.5 -2,-0.1 0.776 65.9 148.0 65.1 24.0 11.2 32.3 59.5 202 103 B K < - 0 0 112 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.649 55.9 -93.6 -84.3 148.8 11.1 36.1 59.8 203 104 B P - 0 0 112 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.282 43.7 -97.4 -63.5 147.3 9.2 37.9 57.0 204 105 B D - 0 0 95 -7,-0.1 2,-0.4 1,-0.1 -10,-0.0 -0.406 35.5-132.2 -57.9 131.6 11.1 39.2 54.0 205 106 B F - 0 0 64 -15,-0.2 2,-1.1 -2,-0.1 -11,-0.1 -0.780 24.9-112.7 -85.5 136.8 11.9 42.9 54.3 206 107 B D > - 0 0 100 -2,-0.4 3,-2.7 1,-0.2 -1,-0.0 -0.564 27.5-161.2 -72.1 99.7 11.0 44.9 51.2 207 108 B g G > S+ 0 0 20 -2,-1.1 3,-1.2 1,-0.3 4,-0.2 0.647 84.1 70.5 -60.5 -17.2 14.5 45.8 50.0 208 109 B S G 3 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.639 97.3 55.7 -71.9 -11.0 13.1 48.6 47.8 209 110 B R G <> S+ 0 0 11 -3,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.249 71.7 104.6-104.7 12.7 12.3 50.4 51.0 210 111 B V H <> S+ 0 0 8 -3,-1.2 4,-2.8 1,-0.2 5,-0.4 0.895 79.6 52.8 -64.5 -39.2 15.8 50.4 52.6 211 112 B D H >>S+ 0 0 41 -4,-0.2 5,-2.9 -3,-0.2 4,-1.5 0.838 112.6 44.7 -64.2 -34.7 16.4 54.1 51.9 212 113 B E H 4>S+ 0 0 37 -3,-0.2 5,-1.3 4,-0.2 -1,-0.2 0.936 116.5 46.1 -72.6 -45.5 13.2 55.1 53.6 213 114 B R H <5S+ 0 0 40 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.884 130.1 18.2 -63.0 -44.0 13.8 52.8 56.5 214 115 B W H <5S+ 0 0 25 -4,-2.8 126,-0.3 -5,-0.2 -3,-0.2 0.533 133.8 18.0-114.9 -12.0 17.4 53.7 57.2 215 116 B R T <5S+ 0 0 65 -4,-1.5 -3,-0.2 -5,-0.4 -4,-0.1 0.669 123.8 19.2-121.6 -66.1 18.2 57.0 55.5 216 117 B D T - 0 0 53 1,-0.1 3,-2.2 -6,-0.1 5,-0.4 -0.281 54.1-128.0 -52.1 132.1 9.0 57.0 55.0 219 120 B K T 3 S+ 0 0 177 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.648 104.9 71.6 -61.6 -16.9 7.9 59.1 52.0 220 121 B D T 3 S- 0 0 123 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.417 110.9-120.7 -78.2 1.8 4.5 59.6 53.6 221 122 B G < + 0 0 61 -3,-2.2 -2,-0.1 1,-0.1 -1,-0.1 0.500 69.1 139.5 76.7 6.4 6.4 61.9 56.0 222 123 B S 0 0 80 1,-0.3 -1,-0.1 -4,-0.1 -3,-0.1 0.500 360.0 360.0 -68.0 -7.1 5.3 59.9 59.1 223 124 B h 0 0 86 -5,-0.4 -1,-0.3 114,-0.0 -2,-0.1 0.057 360.0 360.0 -82.3 360.0 8.8 60.2 60.7 224 !* 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 0.0 225 14 C D 0 0 139 0, 0.0 -120,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 10.1 55.8 30.1 27.1 226 15 C d - 0 0 44 1,-0.1 -125,-0.1 -121,-0.1 3,-0.1 -0.634 360.0 -73.3-107.7 169.0 52.9 28.0 25.6 227 16 C P - 0 0 25 0, 0.0 2,-0.2 0, 0.0 -125,-0.1 -0.259 60.1 -95.2 -59.9 149.0 49.6 26.8 27.2 228 17 C Q - 0 0 36 -126,-0.3 2,-0.1 -213,-0.2 -126,-0.0 -0.416 33.6-147.9 -64.5 132.0 50.0 23.8 29.6 229 18 C D > - 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