==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAY-12 4F6L . COMPND 2 MOLECULE: AUSA REDUCTASE DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.MOK,M.JUNOP . 748 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 2.8 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 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 79 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 3 0 1 1 1 8 1 1 2 1 1 3 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 4 5 1 3 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 . 4 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 9 1 0 0 0 1 1 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 2013 B V 0 0 106 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 51.2 6.1 -44.9 10.6 2 2014 B A - 0 0 38 1,-0.2 5,-0.1 2,-0.0 173,-0.0 -0.356 360.0-169.5 -70.2 105.6 2.7 -46.3 11.6 3 2015 B L + 0 0 138 -2,-0.6 2,-0.2 2,-0.0 -1,-0.2 0.863 61.7 89.7 -50.3 -45.5 2.9 -49.7 13.4 4 2016 B P - 0 0 24 0, 0.0 3,-0.4 0, 0.0 4,-0.1 -0.424 48.3-175.3 -72.1 131.6 -0.9 -50.4 13.3 5 2017 B D S > S+ 0 0 148 -2,-0.2 3,-0.7 1,-0.2 4,-0.1 0.796 88.5 58.6 -84.2 -35.5 -2.3 -52.2 10.2 6 2018 B N T >> + 0 0 27 1,-0.2 4,-1.3 2,-0.1 3,-0.7 0.067 68.8 121.6 -81.6 25.3 -5.8 -51.7 11.5 7 2019 B L H 3> S+ 0 0 21 -3,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.844 70.3 57.9 -56.0 -35.4 -5.2 -48.0 11.5 8 2020 B S H <> S+ 0 0 91 -3,-0.7 4,-1.3 1,-0.2 -1,-0.3 0.863 102.1 54.2 -61.9 -36.3 -8.1 -47.7 9.1 9 2021 B E H <> S+ 0 0 101 -3,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.816 109.5 47.9 -68.5 -30.7 -10.3 -49.4 11.7 10 2022 B L H X S+ 0 0 1 -4,-1.3 4,-1.8 2,-0.2 5,-0.2 0.889 106.5 54.1 -77.6 -42.4 -9.3 -46.7 14.3 11 2023 B Q H X S+ 0 0 48 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.832 107.8 55.4 -57.8 -32.0 -9.9 -43.8 12.0 12 2024 B K H X S+ 0 0 53 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.963 107.1 46.0 -63.9 -53.0 -13.4 -45.2 11.6 13 2025 B I H X S+ 0 0 31 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.771 115.3 46.8 -68.7 -25.8 -14.2 -45.3 15.3 14 2026 B V H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 262,-0.2 0.923 114.2 43.6 -80.7 -46.5 -12.9 -41.8 15.9 15 2027 B M H X S+ 0 0 84 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.718 108.0 63.3 -72.7 -20.4 -14.6 -40.0 13.0 16 2028 B S H < S+ 0 0 66 -4,-1.7 3,-0.3 -5,-0.2 4,-0.3 0.980 109.1 38.8 -59.8 -57.4 -17.7 -42.0 13.9 17 2029 B R H >X S+ 0 0 79 -4,-1.2 3,-2.0 1,-0.2 4,-0.7 0.894 110.9 58.6 -60.6 -45.2 -17.9 -40.3 17.3 18 2030 B Y H >< S+ 0 0 49 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.847 106.6 48.9 -57.1 -35.5 -16.8 -36.9 15.9 19 2031 B N T 3< S+ 0 0 129 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.462 95.6 72.8 -86.1 -0.6 -19.8 -36.8 13.6 20 2032 B L T <4 S- 0 0 107 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.717 80.7-178.0 -78.3 -23.1 -22.2 -37.8 16.4 21 2033 B G << - 0 0 22 -3,-0.7 2,-0.6 -4,-0.7 254,-0.3 -0.368 49.3 -16.7 63.9-132.9 -21.7 -34.3 17.7 22 2034 B I - 0 0 64 -2,-0.1 -1,-0.1 -3,-0.1 5,-0.1 -0.934 66.7-160.4-111.4 115.2 -23.6 -33.5 20.9 23 2035 B L - 0 0 61 -2,-0.6 3,-0.2 1,-0.1 -1,-0.0 0.209 28.1-106.8 -70.4-160.9 -26.4 -36.0 22.0 24 2036 B E S > S+ 0 0 155 1,-0.1 2,-1.1 2,-0.1 3,-0.8 0.877 113.4 33.5 -97.1 -63.6 -29.1 -35.2 24.4 25 2037 B D T 3 S+ 0 0 83 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 -0.342 96.3 97.0 -87.0 52.8 -28.3 -37.1 27.6 26 2038 B S T 3 + 0 0 5 -2,-1.1 246,-1.0 -3,-0.2 -1,-0.2 0.459 67.9 63.8-119.6 -9.7 -24.6 -36.6 26.9 27 2039 B L S < S+ 0 0 42 -3,-0.8 -2,-0.1 245,-0.2 -1,-0.1 0.022 77.3 133.1 -98.6 24.7 -23.9 -33.5 29.1 28 2040 B S - 0 0 32 1,-0.1 244,-0.5 -3,-0.1 2,-0.4 -0.303 62.4-107.5 -69.9 158.9 -24.7 -35.6 32.1 29 2041 B H B -A 271 0A 0 242,-0.1 242,-0.2 518,-0.1 -1,-0.1 -0.780 28.2-170.5 -94.0 132.1 -22.4 -35.5 35.1 30 2042 B R - 0 0 51 240,-2.7 241,-0.0 -2,-0.4 518,-0.0 -0.838 24.2-132.8-124.0 93.2 -20.2 -38.5 35.9 31 2043 B P - 0 0 15 0, 0.0 25,-0.1 0, 0.0 516,-0.0 -0.101 6.2-142.6 -46.5 131.2 -18.6 -38.1 39.3 32 2044 B L + 0 0 0 23,-0.6 83,-0.2 1,-0.2 24,-0.2 0.893 35.6 169.0 -65.8 -41.1 -14.9 -38.9 39.1 33 2045 B G E +b 56 0B 12 22,-0.7 25,-0.7 82,-0.1 24,-0.6 -0.355 59.1 20.5 60.0-140.8 -14.8 -40.6 42.5 34 2046 B N E S-b 58 0B 11 79,-0.2 81,-2.0 23,-0.2 82,-1.4 -0.392 81.2-168.9 -60.4 125.7 -11.6 -42.5 43.2 35 2047 B T E -bc 59 116B 0 23,-1.8 25,-2.4 80,-0.2 2,-0.6 -0.966 17.1-155.7-129.2 120.2 -9.0 -41.0 40.8 36 2048 B L E -bc 60 117B 3 80,-2.5 82,-2.7 -2,-0.5 2,-0.5 -0.845 15.1-168.2 -94.5 118.9 -5.5 -42.3 40.0 37 2049 B L E -bc 61 118B 0 23,-2.5 25,-2.6 -2,-0.6 3,-0.2 -0.905 11.4-177.6-108.9 129.2 -3.2 -39.6 38.8 38 2050 B T S S+ 0 0 23 80,-2.0 2,-0.8 -2,-0.5 3,-0.4 0.942 75.7 55.8 -87.6 -55.9 0.2 -40.4 37.2 39 2051 B G > + 0 0 7 79,-0.3 3,-3.0 1,-0.2 6,-0.4 0.189 68.1 135.7 -68.9 23.2 1.9 -37.1 36.4 40 2052 B A T 3 + 0 0 0 -2,-0.8 -1,-0.2 22,-0.4 9,-0.1 0.730 69.1 45.0 -46.8 -42.9 1.6 -35.9 40.1 41 2053 B T T 3 S+ 0 0 59 -3,-0.4 -1,-0.3 4,-0.1 -2,-0.1 0.375 102.5 90.5 -86.4 6.9 5.1 -34.6 40.5 42 2054 B G S <> S- 0 0 32 -3,-3.0 4,-0.7 1,-0.1 182,-0.1 0.162 89.5-101.5 -84.6-158.8 5.0 -32.8 37.1 43 2055 B F H > S+ 0 0 31 2,-0.2 4,-1.2 3,-0.1 5,-0.1 0.868 122.8 34.1 -95.4 -52.8 3.9 -29.3 36.1 44 2056 B L H > S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.800 116.6 63.6 -68.2 -27.2 0.4 -30.1 34.7 45 2057 B G H > S+ 0 0 2 -6,-0.4 4,-2.3 1,-0.2 3,-0.5 0.964 100.8 46.9 -57.7 -53.9 0.4 -32.7 37.4 46 2058 B A H X S+ 0 0 0 -4,-0.7 4,-1.1 1,-0.2 -1,-0.2 0.852 114.4 47.3 -60.3 -35.6 0.6 -30.2 40.2 47 2059 B Y H X S+ 0 0 7 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.726 109.4 53.0 -83.9 -20.3 -2.2 -28.0 38.7 48 2060 B L H X S+ 0 0 0 -4,-1.7 4,-0.9 -3,-0.5 -2,-0.2 0.911 103.8 57.5 -73.1 -45.1 -4.5 -31.0 38.0 49 2061 B I H < S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 4,-0.4 0.873 111.9 41.9 -51.2 -41.0 -4.2 -32.1 41.7 50 2062 B E H >< S+ 0 0 77 -4,-1.1 3,-0.7 1,-0.2 -1,-0.2 0.839 112.1 54.4 -76.1 -33.6 -5.5 -28.6 42.7 51 2063 B A H 3< S+ 0 0 20 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.501 104.4 56.1 -80.4 -3.5 -8.1 -28.6 40.0 52 2064 B L T >X S+ 0 0 0 -4,-0.9 3,-2.9 -3,-0.4 4,-2.1 0.583 76.1 122.1 -99.7 -15.2 -9.5 -31.9 41.2 53 2065 B Q B <4 S+d 56 0B 18 -3,-0.7 4,-0.1 -4,-0.4 38,-0.1 -0.277 84.4 10.0 -56.7 118.8 -10.1 -30.7 44.7 54 2066 B G T 34 S+ 0 0 4 2,-0.5 -1,-0.3 -2,-0.1 667,-0.2 0.387 123.8 68.0 91.8 -2.6 -13.8 -31.2 45.6 55 2067 B Y T <4 S+ 0 0 17 -3,-2.9 -22,-0.7 1,-0.2 -23,-0.6 0.645 89.0 62.5-117.7 -29.9 -14.4 -33.2 42.5 56 2068 B S E < S-bd 33 53B 4 -4,-2.1 -2,-0.5 -24,-0.2 -1,-0.2 -0.839 71.2-146.0 -95.7 135.6 -12.4 -36.3 43.2 57 2069 B H E S- 0 0 111 -24,-0.6 2,-0.3 -2,-0.4 -23,-0.2 0.876 86.9 -10.7 -62.6 -37.6 -13.6 -38.4 46.2 58 2070 B R E -b 34 0B 80 -25,-0.7 -23,-1.8 -3,-0.1 2,-0.5 -0.970 66.9-136.5-157.5 150.6 -9.9 -39.2 46.8 59 2071 B I E -be 35 95B 1 35,-3.0 37,-2.5 -2,-0.3 2,-0.7 -0.940 12.6-169.0-119.6 112.4 -6.7 -38.8 44.7 60 2072 B Y E -be 36 96B 6 -25,-2.4 -23,-2.5 -2,-0.5 2,-0.6 -0.883 14.0-155.1 -96.1 118.3 -4.2 -41.6 44.5 61 2073 B C E -be 37 97B 0 35,-2.7 37,-2.3 -2,-0.7 2,-0.4 -0.837 5.6-145.7 -97.8 117.2 -1.0 -40.4 43.0 62 2074 B F E + e 0 98B 14 -25,-2.6 -22,-0.4 -2,-0.6 2,-0.4 -0.673 27.0 176.3 -75.1 131.7 1.2 -42.9 41.3 63 2075 B I E - e 0 99B 5 35,-2.0 37,-2.0 -2,-0.4 2,-0.9 -0.998 30.9-131.1-138.9 135.3 4.9 -41.8 41.8 64 2076 B R E + e 0 100B 91 -2,-0.4 2,-0.3 35,-0.2 37,-0.2 -0.772 56.3 124.8 -87.9 108.4 8.0 -43.6 40.8 65 2077 B A S S- 0 0 13 35,-1.3 -2,-0.1 -2,-0.9 6,-0.1 -0.962 70.1-100.8-158.3 171.8 10.3 -43.8 43.9 66 2078 B D S S- 0 0 142 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.835 93.4 -25.1 -68.8 -36.6 12.3 -45.9 46.3 67 2079 B N S > S- 0 0 60 1,-0.1 4,-1.3 -3,-0.0 5,-0.1 -0.879 75.6 -77.1-161.8-172.6 9.7 -46.0 49.1 68 2080 B E H > S+ 0 0 123 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.926 120.8 54.7 -69.8 -43.2 6.7 -44.2 50.7 69 2081 B E H > S+ 0 0 165 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.852 112.8 41.1 -60.0 -39.7 8.8 -41.6 52.4 70 2082 B I H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.771 110.3 58.9 -82.7 -26.1 10.6 -40.4 49.3 71 2083 B A H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.944 107.8 45.5 -66.2 -48.1 7.5 -40.6 47.2 72 2084 B W H X S+ 0 0 79 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.905 108.3 58.7 -57.7 -43.1 5.7 -38.1 49.5 73 2085 B Y H X S+ 0 0 158 -4,-1.3 4,-2.1 1,-0.3 5,-0.2 0.886 104.9 48.0 -59.1 -43.2 8.7 -35.9 49.5 74 2086 B K H X S+ 0 0 102 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.879 114.4 48.0 -64.0 -36.6 8.7 -35.4 45.7 75 2087 B L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.892 112.1 46.9 -73.0 -42.0 5.0 -34.6 45.9 76 2088 B M H X S+ 0 0 35 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.943 111.5 50.5 -64.0 -49.6 5.1 -32.1 48.7 77 2089 B T H X S+ 0 0 37 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.890 111.2 50.4 -55.3 -43.5 8.1 -30.2 47.3 78 2090 B N H >X S+ 0 0 3 -4,-1.5 3,-1.0 -5,-0.2 4,-0.8 0.966 114.0 41.4 -60.8 -56.9 6.3 -30.0 43.9 79 2091 B L H >X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.3 3,-0.6 0.832 109.5 60.7 -62.2 -34.1 3.0 -28.6 45.3 80 2092 B N H 3< S+ 0 0 65 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.754 99.8 56.8 -66.2 -24.1 4.8 -26.3 47.7 81 2093 B D H << S+ 0 0 44 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.773 117.4 31.6 -75.8 -27.0 6.5 -24.6 44.7 82 2094 B Y H << S+ 0 0 6 -4,-0.8 138,-0.5 -3,-0.6 2,-0.3 0.539 119.4 38.8-110.1 -10.7 3.1 -23.7 43.1 83 2095 B F S < S- 0 0 21 -4,-1.7 2,-0.1 136,-0.1 136,-0.0 -0.889 82.5 -88.7-139.0 170.0 0.7 -23.2 46.1 84 2096 B S > - 0 0 47 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.403 33.3-121.2 -74.1 151.2 0.4 -21.8 49.6 85 2097 B E H > S+ 0 0 152 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.806 117.9 59.2 -59.6 -28.4 1.2 -23.9 52.6 86 2098 B E H > S+ 0 0 71 2,-0.2 4,-0.6 1,-0.1 -1,-0.2 0.926 110.8 39.3 -63.8 -46.0 -2.4 -23.2 53.6 87 2099 B T H >> S+ 0 0 49 2,-0.2 3,-1.3 1,-0.2 4,-1.1 0.945 113.3 52.9 -70.4 -51.2 -3.7 -24.8 50.3 88 2100 B V H 3X S+ 0 0 7 -4,-2.9 4,-0.8 1,-0.3 3,-0.4 0.854 105.0 55.9 -54.8 -40.0 -1.3 -27.7 50.2 89 2101 B E H 3< S+ 0 0 142 -4,-1.6 -1,-0.3 -5,-0.2 4,-0.2 0.764 108.3 48.8 -65.1 -25.4 -2.2 -28.8 53.7 90 2102 B M H << S+ 0 0 52 -3,-1.3 4,-0.4 -4,-0.6 3,-0.4 0.630 104.6 56.2 -93.5 -16.5 -5.9 -29.0 52.8 91 2103 B M H < S+ 0 0 2 -4,-1.1 3,-0.2 -3,-0.4 -1,-0.2 0.665 92.1 80.8 -79.1 -16.6 -5.3 -31.0 49.6 92 2104 B L S >< S+ 0 0 60 -4,-0.8 3,-0.9 -5,-0.2 -1,-0.2 0.724 79.3 62.1 -65.4 -27.7 -3.6 -33.5 52.0 93 2105 B S T 3 S+ 0 0 77 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.976 107.0 42.2 -60.9 -54.7 -6.7 -35.1 53.2 94 2106 B N T 3 S+ 0 0 37 -4,-0.4 -35,-3.0 -3,-0.2 2,-0.4 0.042 98.7 94.8 -88.0 27.1 -7.8 -36.5 49.8 95 2107 B I E < +e 59 0B 6 -3,-0.9 2,-0.4 -37,-0.2 -35,-0.2 -0.973 41.4 171.7-125.2 131.5 -4.3 -37.6 48.7 96 2108 B E E -e 60 0B 68 -37,-2.5 -35,-2.7 -2,-0.4 2,-0.5 -0.990 25.6-132.5-131.3 142.2 -2.7 -41.1 49.0 97 2109 B V E -e 61 0B 4 -2,-0.4 2,-0.5 -37,-0.2 -35,-0.2 -0.844 12.5-165.6-104.0 124.6 0.6 -42.1 47.4 98 2110 B I E -e 62 0B 19 -37,-2.3 -35,-2.0 -2,-0.5 2,-0.4 -0.899 17.8-146.0 -98.8 132.1 1.1 -45.3 45.4 99 2111 B V E -e 63 0B 49 -2,-0.5 2,-0.3 -37,-0.2 -35,-0.2 -0.828 17.1-175.1-105.4 141.1 4.7 -46.2 44.9 100 2112 B G E -e 64 0B 7 -37,-2.0 -35,-1.3 -2,-0.4 2,-0.2 -0.911 24.0-111.6-132.2 158.0 6.1 -47.9 41.8 101 2113 B D B > -I 104 0C 92 3,-0.9 3,-0.7 -2,-0.3 2,-0.6 -0.539 43.6 -93.4 -86.4 152.9 9.4 -49.3 40.5 102 2114 B F T 3 S- 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 3,-0.0 -0.556 106.5 -15.9 -68.8 113.5 11.4 -47.7 37.7 103 2115 B E T 3 S+ 0 0 69 -2,-0.6 2,-0.6 1,-0.1 -1,-0.3 0.439 117.3 100.2 69.1 2.8 10.3 -49.6 34.5 104 2116 B C B < +I 101 0C 48 -3,-0.7 -3,-0.9 1,-0.2 -1,-0.1 -0.768 40.4 150.2-117.0 85.5 8.8 -52.4 36.6 105 2117 B M + 0 0 24 -2,-0.6 3,-0.4 1,-0.1 -1,-0.2 0.965 49.1 70.8 -81.6 -57.7 5.0 -51.6 36.6 106 2118 B D S S+ 0 0 95 1,-0.3 2,-1.5 -6,-0.1 -1,-0.1 0.654 77.5 82.0 -41.0 -33.5 2.9 -54.7 36.9 107 2119 B D S S+ 0 0 89 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.158 71.4 119.9 -66.1 26.0 3.8 -55.5 40.6 108 2120 B V - 0 0 31 -2,-1.5 2,-0.5 -3,-0.4 -8,-0.1 -0.780 40.2-176.4-106.7 134.0 1.2 -53.0 41.7 109 2121 B V - 0 0 135 -2,-0.4 -2,-0.0 2,-0.0 -3,-0.0 -0.933 18.5-146.4-127.4 108.9 -1.9 -53.5 43.9 110 2122 B L - 0 0 23 -2,-0.5 4,-0.0 1,-0.1 -12,-0.0 -0.525 15.1-132.1 -77.3 135.1 -4.2 -50.5 44.5 111 2123 B P S S+ 0 0 66 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.473 86.1 15.6 -65.6 -2.0 -5.9 -50.2 47.9 112 2124 B E S S- 0 0 106 -78,-0.0 2,-0.4 0, 0.0 -2,-0.1 -0.987 91.4 -79.3-164.7 164.4 -9.3 -49.6 46.1 113 2125 B N - 0 0 83 -2,-0.3 2,-0.3 1,-0.1 -79,-0.2 -0.547 45.3-137.2 -72.0 121.5 -11.2 -49.7 42.8 114 2126 B M - 0 0 0 -2,-0.4 -79,-0.2 1,-0.1 3,-0.1 -0.582 22.1-178.1 -80.7 139.4 -10.4 -46.8 40.6 115 2127 B D S S+ 0 0 61 -81,-2.0 32,-0.6 1,-0.3 2,-0.3 0.529 74.8 27.4-112.9 -13.7 -13.2 -45.1 38.8 116 2128 B T E -cf 35 147B 0 -82,-1.4 -80,-2.5 30,-0.2 2,-0.5 -0.938 61.4-168.5-150.9 128.3 -11.0 -42.6 36.9 117 2129 B I E -cf 36 148B 0 30,-3.0 32,-2.6 -2,-0.3 2,-0.5 -0.971 6.0-166.8-119.2 124.1 -7.4 -42.8 35.7 118 2130 B I E -cf 37 149B 2 -82,-2.7 -80,-2.0 -2,-0.5 2,-0.9 -0.938 5.5-159.0-113.1 123.6 -5.6 -39.7 34.4 119 2131 B H E + f 0 150B 19 30,-2.6 32,-1.7 -2,-0.5 -82,-0.1 -0.696 35.9 139.0-108.3 84.6 -2.3 -40.1 32.5 120 2132 B A + 0 0 19 -2,-0.9 -1,-0.2 30,-0.1 -76,-0.1 0.889 44.6 87.2 -88.6 -45.1 -0.4 -36.9 32.6 121 2133 B G - 0 0 22 -77,-0.0 2,-0.2 -79,-0.0 -82,-0.1 0.121 48.4-169.6 -60.6 168.7 3.2 -37.9 33.2 122 2134 B A 0 0 57 -84,-0.1 8,-0.1 1,-0.1 -1,-0.0 -0.761 360.0 360.0-163.6 111.3 5.9 -38.9 30.8 123 2135 B R 0 0 91 -2,-0.2 -1,-0.1 3,-0.1 -2,-0.0 0.884 360.0 360.0 -62.0 360.0 9.3 -40.5 31.8 124 ! 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 0.0 125 2144 B E 0 0 125 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.4 15.0 -46.3 23.1 126 2145 B F > + 0 0 83 2,-0.1 4,-1.7 3,-0.1 3,-0.4 0.770 360.0 50.1-106.6 -47.9 13.0 -43.6 24.9 127 2146 B E H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.766 104.3 63.4 -64.2 -26.7 9.6 -43.8 23.2 128 2147 B K H > S+ 0 0 65 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.904 104.5 46.0 -62.1 -42.2 9.8 -47.5 23.8 129 2148 B V H > S+ 0 0 66 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.911 114.4 45.8 -68.3 -45.4 9.8 -46.9 27.6 130 2149 B N H X S+ 0 0 15 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.861 112.7 47.7 -70.6 -39.2 7.0 -44.3 27.6 131 2150 B V H X S+ 0 0 17 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.835 109.4 54.7 -72.0 -31.7 4.6 -46.2 25.3 132 2151 B Q H X S+ 0 0 95 -4,-1.4 4,-2.2 -5,-0.3 -2,-0.2 0.919 107.3 53.0 -60.5 -41.2 5.2 -49.3 27.4 133 2152 B G H X S+ 0 0 11 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.891 106.4 50.2 -58.4 -43.7 4.1 -47.0 30.2 134 2153 B T H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.860 108.8 54.1 -65.3 -35.0 0.9 -46.1 28.4 135 2154 B V H X S+ 0 0 47 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.966 106.5 49.7 -60.0 -52.8 0.2 -49.8 27.9 136 2155 B D H X S+ 0 0 26 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.802 111.2 49.8 -59.9 -33.1 0.6 -50.6 31.6 137 2156 B V H X S+ 0 0 10 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.907 106.7 54.3 -70.9 -43.5 -1.8 -47.8 32.5 138 2157 B I H X S+ 0 0 10 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.864 103.1 59.5 -57.4 -37.0 -4.3 -49.0 29.9 139 2158 B R H >X S+ 0 0 136 -4,-2.1 4,-2.5 1,-0.2 3,-0.6 0.964 105.6 45.9 -53.5 -57.2 -4.1 -52.4 31.7 140 2159 B L H 3< S+ 0 0 21 -4,-1.5 6,-0.2 1,-0.2 -2,-0.2 0.882 107.0 60.1 -54.9 -42.2 -5.3 -50.8 35.0 141 2160 B A H ><>S+ 0 0 0 -4,-2.2 5,-3.1 1,-0.2 3,-0.5 0.898 113.4 36.0 -52.7 -43.2 -8.1 -49.0 33.1 142 2161 B Q H <<5S+ 0 0 71 -4,-1.8 -2,-0.2 -3,-0.6 -1,-0.2 0.830 115.0 51.1 -87.6 -33.7 -9.6 -52.3 31.9 143 2162 B Q T 3<5S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.108 120.5 39.3 -89.6 23.5 -9.0 -54.5 34.9 144 2163 B H T < 5S- 0 0 34 -3,-0.5 -2,-0.2 -5,-0.2 -1,-0.2 0.310 105.5-127.7-134.5 -11.1 -10.6 -51.8 37.0 145 2164 B H T 5 + 0 0 170 -4,-0.4 -3,-0.2 -5,-0.2 -4,-0.1 0.947 58.1 153.3 54.7 52.9 -13.3 -50.9 34.5 146 2165 B A < - 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0 0 1 -5,-0.2 -251,-0.1 -245,-0.1 -246,-0.1 -0.087 46.0-131.3 -53.5 146.8 -19.8 -36.8 25.6 274 2293 B P S S+ 0 0 31 0, 0.0 -256,-0.1 0, 0.0 -257,-0.1 0.812 72.6 97.7 -70.9 -35.9 -19.4 -39.5 22.8 275 2294 B Q - 0 0 5 -254,-0.3 3,-0.1 -258,-0.2 -261,-0.1 0.077 55.9-155.5 -58.7 167.8 -16.2 -38.3 21.2 276 2295 B I S S+ 0 0 3 -262,-0.2 -69,-3.8 -105,-0.2 2,-0.4 0.698 74.4 55.0-117.2 -35.3 -12.7 -39.7 22.0 277 2296 B I E -h 207 0B 2 -106,-0.4 2,-0.3 -71,-0.2 -1,-0.2 -0.877 63.3-176.3-104.9 136.9 -10.3 -37.0 21.1 278 2297 B Y E -h 208 0B 2 -71,-2.8 -69,-3.2 -2,-0.4 2,-0.6 -0.963 18.2-141.6-128.9 148.9 -10.6 -33.5 22.6 279 2298 B H E +h 209 0B 0 -2,-0.3 2,-0.7 -71,-0.2 -69,-0.2 -0.914 19.9 175.7-115.2 108.4 -8.6 -30.3 22.0 280 2299 B V E +h 210 0B 0 -71,-2.6 -69,-0.9 -2,-0.6 2,-0.3 -0.798 30.9 116.3-116.3 90.1 -7.8 -28.1 25.0 281 2300 B L S S- 0 0 6 -2,-0.7 -2,-0.1 -71,-0.2 -71,-0.0 -0.969 73.6 -75.8-147.0 159.5 -5.6 -25.2 24.1 282 2301 B S - 0 0 3 -2,-0.3 -26,-0.1 1,-0.2 -70,-0.1 -0.409 34.4-160.1 -59.0 120.3 -5.8 -21.4 24.1 283 2302 B P S S+ 0 0 38 0, 0.0 2,-1.5 0, 0.0 -1,-0.2 0.719 75.1 84.9 -76.4 -22.1 -7.9 -20.4 21.1 284 2303 B N + 0 0 60 -29,-0.1 -29,-0.6 2,-0.0 2,-0.2 -0.631 63.1 167.9 -81.6 84.8 -6.5 -16.9 21.2 285 2304 B K E -O 254 0H 96 -2,-1.5 -31,-0.2 -31,-0.1 0, 0.0 -0.561 11.6-171.3 -91.2 162.2 -3.3 -17.4 19.2 286 2305 B M E -O 253 0H 43 -33,-1.6 -33,-0.9 -2,-0.2 5,-0.1 -0.966 28.2-100.9-157.0 139.7 -1.1 -14.6 17.9 287 2306 B P E > -O 252 0H 57 0, 0.0 4,-0.6 0, 0.0 3,-0.2 -0.285 35.7-116.2 -57.7 143.0 2.0 -14.2 15.6 288 2307 B V H >> S+ 0 0 5 -37,-2.2 4,-2.5 -40,-0.6 3,-0.7 0.819 114.8 56.3 -49.2 -38.1 5.3 -13.7 17.3 289 2308 B K H 3> S+ 0 0 38 -40,-1.0 4,-2.1 1,-0.2 5,-0.3 0.972 104.1 49.3 -60.3 -56.0 5.6 -10.2 15.8 290 2309 B S H 34 S+ 0 0 45 -41,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.527 113.5 50.8 -65.9 -5.1 2.3 -9.0 17.3 291 2310 B L H - 0 0 63 -2,-0.3 4,-2.2 -59,-0.2 5,-0.2 -0.421 36.5-117.8 -72.0 153.4 15.1 -11.3 5.7 305 2324 B D H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.839 114.0 60.5 -58.4 -32.8 15.7 -14.8 7.2 306 2325 B E H > S+ 0 0 75 2,-0.2 4,-0.9 1,-0.2 3,-0.5 0.971 110.8 34.3 -59.3 -60.5 19.1 -14.6 5.7 307 2326 B S H > S+ 0 0 54 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.797 112.1 64.0 -68.9 -26.9 20.4 -11.5 7.5 308 2327 B F H X S+ 0 0 12 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.861 97.0 58.1 -62.3 -36.5 18.4 -12.6 10.6 309 2328 B N H X S+ 0 0 96 -4,-1.6 4,-2.5 -3,-0.5 -1,-0.2 0.898 106.2 47.6 -57.6 -43.2 20.6 -15.6 10.7 310 2329 B E H X S+ 0 0 60 -4,-0.9 4,-1.2 2,-0.2 -1,-0.2 0.807 105.6 57.7 -73.0 -31.0 23.7 -13.4 11.0 311 2330 B I H < S+ 0 0 48 -4,-1.6 -1,-0.2 2,-0.2 4,-0.2 0.884 112.2 42.7 -65.0 -38.2 22.2 -11.2 13.7 312 2331 B L H >< S+ 0 0 12 -4,-1.6 3,-2.5 1,-0.2 -2,-0.2 0.943 109.2 55.5 -70.9 -49.4 21.8 -14.3 15.8 313 2332 B Q H >< S+ 0 0 146 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.729 104.0 57.2 -57.7 -23.4 25.2 -15.8 15.0 314 2333 B K T 3< S+ 0 0 84 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.591 115.5 35.7 -82.2 -11.5 26.7 -12.5 16.2 315 2334 B Q T < S- 0 0 104 -3,-2.5 -1,-0.2 1,-0.4 -2,-0.2 -0.105 103.8-123.7-133.7 37.0 25.0 -13.0 19.6 316 2335 B D < + 0 0 72 -3,-0.6 -1,-0.4 1,-0.1 -2,-0.1 -0.374 54.7 145.5 56.0-123.2 25.1 -16.7 20.2 317 2336 B M > + 0 0 17 -2,-0.1 4,-1.8 -3,-0.1 3,-0.2 0.919 17.2 165.0 56.4 47.5 21.5 -18.0 20.8 318 2337 B Y H > + 0 0 71 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.826 66.8 61.2 -63.1 -31.9 22.4 -21.3 19.1 319 2338 B E H > S+ 0 0 108 1,-0.2 4,-3.7 2,-0.2 -1,-0.2 0.911 112.6 33.9 -64.2 -46.6 19.2 -22.9 20.5 320 2339 B T H > S+ 0 0 3 2,-0.2 4,-1.1 1,-0.2 5,-0.5 0.708 113.0 61.6 -82.3 -21.2 16.8 -20.5 18.8 321 2340 B I H X S+ 0 0 27 -4,-1.8 4,-0.5 3,-0.2 -2,-0.2 0.825 119.5 29.6 -65.9 -31.0 19.1 -20.3 15.8 322 2341 B G H X S+ 0 0 39 -4,-1.6 4,-1.3 -5,-0.2 -2,-0.2 0.885 119.1 50.5 -92.9 -49.2 18.5 -24.0 15.6 323 2342 B L H < S+ 0 0 67 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.1 0.727 121.6 34.3 -65.2 -22.6 15.0 -24.5 17.0 324 2343 B T H X S+ 0 0 12 -4,-1.1 4,-1.0 -5,-0.2 -1,-0.2 0.815 111.0 55.3-103.9 -38.7 13.5 -21.8 14.8 325 2344 B S H < S+ 0 0 74 -4,-0.5 3,-0.2 -5,-0.5 -2,-0.1 0.875 115.5 40.1 -66.0 -38.4 15.4 -21.8 11.5 326 2345 B V T >< S+ 0 0 74 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.571 106.5 66.1 -86.4 -11.3 14.7 -25.5 10.9 327 2346 B D G >4 S+ 0 0 48 1,-0.2 3,-0.6 -5,-0.2 -2,-0.2 0.741 98.6 52.7 -78.1 -25.0 11.1 -25.0 12.1 328 2347 B R G 3< S+ 0 0 56 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.403 87.6 88.9 -85.8 1.9 10.4 -22.8 9.1 329 2348 B E G < S+ 0 0 59 -3,-0.5 2,-0.3 -5,-0.1 -1,-0.2 0.627 91.4 33.1 -78.3 -14.6 11.7 -25.6 6.9 330 2349 B Q S < S- 0 0 89 -3,-0.6 -169,-0.2 -4,-0.1 0, 0.0 -0.876 93.1 -79.8-138.5 170.5 8.3 -27.3 6.6 331 2350 B Q E -J 160 0D 63 -171,-0.6 -171,-1.5 -2,-0.3 2,-0.4 -0.144 38.5-130.1 -70.6 165.2 4.6 -26.4 6.4 332 2351 B L E -J 159 0D 93 -173,-0.2 -173,-0.2 -170,-0.1 -1,-0.1 -0.973 19.3-121.6-126.1 129.4 2.4 -25.6 9.4 333 2352 B A - 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