==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-MAY-09 3HB4 . COMPND 2 MOLECULE: ESTRADIOL 17-BETA-DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MAZUMDAR,D.FOURNIER,D.-W.ZHU,C.CADOT,D.POIRIER,S.-X.LIN . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.7 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 . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 3 0 3 0 1 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 2 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 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 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 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 X A 0 0 141 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -87.2 29.4 1.5 23.2 2 2 X R - 0 0 98 28,-0.1 2,-0.7 1,-0.1 28,-0.2 -0.572 360.0-110.8 -78.5 147.5 29.1 1.2 19.4 3 3 X T E -a 30 0A 45 26,-2.8 28,-2.7 -2,-0.2 2,-0.5 -0.723 34.6-139.6 -74.3 115.8 25.8 2.3 17.7 4 4 X V E -a 31 0A 1 -2,-0.7 82,-2.0 26,-0.2 81,-1.7 -0.742 22.2-172.3 -83.4 126.1 24.4 -1.0 16.4 5 5 X V E -ab 32 86A 0 26,-2.6 28,-3.2 -2,-0.5 2,-0.5 -0.985 10.8-167.4-122.6 122.2 22.8 -0.6 13.0 6 6 X L E -ab 33 87A 0 80,-2.2 82,-3.2 -2,-0.4 2,-0.4 -0.974 11.9-172.8-109.3 118.4 20.8 -3.3 11.2 7 7 X I E -ab 34 88A 0 26,-2.3 28,-2.8 -2,-0.5 3,-0.3 -0.920 12.2-146.1-107.9 132.0 20.1 -2.6 7.5 8 8 X T S S+ 0 0 2 80,-2.4 28,-0.1 -2,-0.4 26,-0.0 -0.565 75.9 25.4 -88.5 151.0 17.9 -4.6 5.1 9 9 X G + 0 0 22 -2,-0.2 3,-0.4 55,-0.2 6,-0.4 0.925 65.6 154.6 66.7 57.6 18.6 -5.0 1.4 10 10 X C + 0 0 0 25,-2.5 26,-0.1 -3,-0.3 -1,-0.1 0.313 41.8 95.8 -97.8 12.4 22.4 -4.6 1.3 11 11 X S S S- 0 0 42 24,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.768 99.5 -10.8 -80.5 -23.2 23.3 -6.5 -1.8 12 12 X S S >> S+ 0 0 47 -3,-0.4 4,-1.1 32,-0.1 3,-0.6 -0.946 103.2 15.2-153.7 174.9 23.3 -3.4 -3.9 13 13 X G H 3> S- 0 0 3 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.138 113.1 -4.8 73.0-144.5 22.4 0.2 -4.1 14 14 X I H 3> S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.872 134.4 51.8 -54.6 -45.1 21.6 2.5 -1.3 15 15 X G H <> S+ 0 0 0 -3,-0.6 4,-2.4 -6,-0.4 -5,-0.2 0.910 111.6 44.5 -63.4 -47.0 21.7 -0.3 1.3 16 16 X L H X S+ 0 0 3 -4,-1.1 4,-1.8 -7,-0.3 5,-0.3 0.952 116.6 46.9 -55.3 -54.8 25.2 -1.6 0.2 17 17 X H H X S+ 0 0 46 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.912 115.4 45.8 -66.4 -38.7 26.6 2.0 0.0 18 18 X L H X S+ 0 0 1 -4,-2.9 4,-2.2 -5,-0.2 5,-0.3 0.915 107.9 56.5 -64.6 -45.0 25.1 2.9 3.4 19 19 X A H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.948 117.2 33.8 -50.5 -52.6 26.3 -0.3 5.2 20 20 X V H X S+ 0 0 1 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.849 111.5 61.9 -79.9 -33.7 30.0 0.2 4.3 21 21 X R H < S+ 0 0 60 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.937 111.9 40.4 -48.2 -47.5 29.8 4.1 4.6 22 22 X L H >< S+ 0 0 0 -4,-2.2 3,-1.2 2,-0.2 8,-0.5 0.863 114.3 59.8 -72.5 -40.8 28.9 3.5 8.2 23 23 X A H 3< S+ 0 0 2 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.1 0.749 108.3 41.8 -3.5 -96.8 31.5 0.7 8.3 24 24 X S T 3< S+ 0 0 26 -4,-0.8 -1,-0.3 28,-0.2 -2,-0.2 -0.356 73.5 146.6 89.5 -68.7 33.9 2.6 7.6 25 25 X D X - 0 0 23 -3,-1.2 3,-4.8 1,-0.2 4,-0.2 -0.339 50.8-133.0 -39.0 106.2 33.4 5.8 9.5 26 26 X P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.851 109.5 60.0 -38.0 -39.5 36.9 7.1 10.4 27 27 X S T 3 S- 0 0 73 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.660 98.4-141.3 -63.1 -17.6 35.4 7.5 13.9 28 28 X Q < + 0 0 132 -3,-4.8 -1,-0.1 -6,-0.1 -5,-0.1 0.769 55.3 137.9 55.8 32.7 34.6 3.7 14.2 29 29 X S + 0 0 42 -4,-0.2 -26,-2.8 -7,-0.1 2,-0.4 0.713 46.7 73.6 -76.1 -19.7 31.3 4.5 16.0 30 30 X F E -a 3 0A 15 -8,-0.5 2,-0.7 -28,-0.2 -26,-0.2 -0.838 54.2-161.9-115.7 127.5 29.1 2.0 14.2 31 31 X K E -a 4 0A 10 -28,-2.7 -26,-2.6 -2,-0.4 2,-0.5 -0.909 28.9-156.6 -98.4 113.1 28.6 -1.8 14.4 32 32 X V E -ac 5 59A 0 26,-3.1 28,-2.6 -2,-0.7 2,-0.8 -0.782 20.8-169.2-102.7 121.9 26.8 -2.8 11.1 33 33 X Y E -ac 6 60A 0 -28,-3.2 -26,-2.3 -2,-0.5 2,-0.8 -0.890 16.1-164.4 -93.9 111.0 24.6 -5.9 10.4 34 34 X A E -ac 7 61A 0 26,-2.1 28,-1.5 -2,-0.8 2,-0.2 -0.825 7.7-159.3 -98.3 110.9 24.1 -5.9 6.7 35 35 X T E - c 0 62A 2 -28,-2.8 -25,-2.5 -2,-0.8 2,-0.3 -0.548 11.4-179.3 -93.1 146.4 21.2 -8.2 5.8 36 36 X L E - c 0 63A 1 26,-2.2 28,-2.2 -2,-0.2 3,-0.2 -0.999 32.9-135.5-141.2 145.9 20.6 -9.8 2.4 37 37 X R S S+ 0 0 129 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.953 99.6 28.6 -59.8 -52.9 17.9 -12.1 0.9 38 38 X D > - 0 0 63 1,-0.1 3,-2.2 25,-0.1 -1,-0.2 -0.959 65.8-154.0-118.2 122.5 20.5 -14.3 -0.9 39 39 X L G > S+ 0 0 66 -2,-0.5 3,-2.1 1,-0.3 -1,-0.1 0.770 92.1 73.3 -64.2 -23.7 24.1 -14.7 0.4 40 40 X K G 3 S+ 0 0 204 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.637 92.6 57.2 -62.8 -13.0 25.3 -15.4 -3.1 41 41 X T G X S+ 0 0 53 -3,-2.2 3,-0.5 1,-0.2 4,-0.4 0.471 79.7 93.2 -99.1 3.1 24.8 -11.7 -3.8 42 42 X Q T <> + 0 0 59 -3,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.385 56.2 92.1 -75.5 -6.5 27.1 -10.6 -1.0 43 43 X G H 3> S+ 0 0 48 -3,-0.4 4,-2.8 2,-0.2 3,-0.3 0.935 86.7 47.0 -51.4 -58.5 30.3 -10.3 -3.2 44 44 X R H <> S+ 0 0 105 -3,-0.5 4,-1.4 1,-0.2 5,-0.4 0.882 108.4 56.0 -53.7 -41.6 29.8 -6.6 -4.0 45 45 X L H > S+ 0 0 0 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.895 114.1 39.8 -58.0 -41.5 29.1 -5.8 -0.4 46 46 X W H X S+ 0 0 108 -4,-1.7 4,-1.6 -3,-0.3 -2,-0.2 0.784 114.1 53.5 -76.8 -33.1 32.5 -7.4 0.5 47 47 X E H >X S+ 0 0 133 -4,-2.8 3,-2.6 2,-0.2 4,-1.6 0.966 113.9 41.5 -55.2 -80.7 34.3 -5.9 -2.5 48 48 X A H 3X S+ 0 0 22 -4,-1.4 4,-2.1 1,-0.3 -2,-0.2 0.753 109.3 61.1 -33.5 -39.6 33.1 -2.3 -1.6 49 49 X A H 3<>S+ 0 0 7 -4,-1.2 5,-2.5 -5,-0.4 -1,-0.3 0.935 108.0 43.0 -58.0 -44.0 33.9 -3.2 2.0 50 50 X R H X<5S+ 0 0 186 -3,-2.6 3,-2.1 -4,-1.6 -2,-0.2 0.921 110.1 57.0 -62.2 -50.2 37.6 -3.7 0.9 51 51 X A H 3<5S+ 0 0 83 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.868 115.4 35.3 -49.7 -47.4 37.6 -0.5 -1.3 52 52 X L T 3<5S- 0 0 94 -4,-2.1 -1,-0.3 2,-0.0 -28,-0.2 0.073 111.9-128.9 -92.0 18.0 36.6 1.8 1.6 53 53 X A T < 5 - 0 0 56 -3,-2.1 -3,-0.2 1,-0.1 -4,-0.1 0.835 27.3-160.1 31.4 71.3 38.8 -0.4 3.8 54 54 X C < - 0 0 19 -5,-2.5 -1,-0.1 -6,-0.1 -30,-0.1 -0.568 23.8-107.7 -68.9 137.5 36.3 -1.2 6.5 55 55 X P > - 0 0 57 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.434 41.0 -89.8 -56.9 140.0 38.0 -2.3 9.7 56 56 X P T 3 S+ 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.215 115.7 22.4 -28.5 130.8 37.6 -6.0 10.7 57 57 X G T 3 S+ 0 0 54 2,-0.3 3,-0.1 1,-0.1 -25,-0.1 0.323 93.7 101.0 80.7 -8.4 34.5 -6.4 12.9 58 58 X S S < S+ 0 0 5 -3,-1.7 -26,-3.1 1,-0.2 2,-0.5 0.851 83.8 42.7 -70.7 -31.4 32.8 -3.3 11.6 59 59 X L E +c 32 0A 14 -4,-0.4 2,-0.5 -28,-0.2 -2,-0.3 -0.948 58.0 177.1-133.5 107.7 30.5 -5.3 9.2 60 60 X E E -c 33 0A 61 -28,-2.6 -26,-2.1 -2,-0.5 2,-0.3 -0.946 20.6-145.3-100.1 126.9 28.6 -8.6 9.9 61 61 X T E -c 34 0A 25 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.726 16.9-175.7 -90.2 144.9 26.3 -10.0 7.1 62 62 X L E -c 35 0A 2 -28,-1.5 -26,-2.2 -2,-0.3 2,-0.4 -0.971 26.9-121.8-130.5 148.1 23.1 -11.9 7.9 63 63 X Q E +c 36 0A 96 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.773 39.1 169.1 -85.5 137.3 20.7 -13.6 5.6 64 64 X L - 0 0 4 -28,-2.2 2,-0.6 -2,-0.4 -55,-0.2 -0.928 24.7-165.2-155.1 115.3 17.2 -12.1 5.9 65 65 X D > - 0 0 34 -2,-0.3 3,-2.0 3,-0.3 7,-0.3 -0.938 11.6-157.9-100.1 111.0 14.1 -12.7 3.8 66 66 X V T 3 S+ 0 0 12 -2,-0.6 54,-0.2 1,-0.3 -1,-0.1 0.615 89.8 65.3 -68.3 -9.0 11.6 -9.9 4.7 67 67 X R T 3 S+ 0 0 82 1,-0.2 2,-0.5 53,-0.1 -1,-0.3 0.419 97.5 64.3 -84.8 1.0 8.7 -12.0 3.4 68 68 X D <> - 0 0 65 -3,-2.0 4,-1.8 1,-0.1 3,-0.5 -0.928 63.4-163.8-136.1 102.7 9.4 -14.5 6.1 69 69 X S H > S+ 0 0 76 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.771 92.1 59.0 -61.1 -26.5 8.9 -13.6 9.8 70 70 X K H > S+ 0 0 167 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 106.8 49.3 -65.7 -39.8 11.0 -16.6 11.0 71 71 X S H > S+ 0 0 16 -3,-0.5 4,-1.6 -6,-0.2 -2,-0.2 0.893 108.4 51.9 -64.4 -39.1 13.9 -15.3 9.0 72 72 X V H X S+ 0 0 2 -4,-1.8 4,-1.8 -7,-0.3 -2,-0.2 0.903 112.5 47.1 -59.9 -45.5 13.3 -11.8 10.6 73 73 X A H X S+ 0 0 37 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.882 110.1 51.7 -59.1 -46.3 13.5 -13.5 14.1 74 74 X A H X S+ 0 0 37 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.764 112.2 46.5 -64.9 -32.0 16.6 -15.5 13.3 75 75 X A H < S+ 0 0 3 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.842 112.1 50.3 -77.5 -34.6 18.4 -12.4 12.1 76 76 X R H >< S+ 0 0 111 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.948 107.8 54.1 -64.8 -44.8 17.2 -10.6 15.3 77 77 X E H 3< S+ 0 0 135 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.877 100.8 61.2 -51.7 -42.2 18.5 -13.5 17.4 78 78 X R T 3< S+ 0 0 131 -4,-1.1 2,-1.2 -5,-0.1 -1,-0.3 0.329 73.6 104.0 -76.5 8.9 22.0 -13.2 15.8 79 79 X V X - 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0 0 70 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.305 40.3-112.7 -78.8 169.5 -3.0 -2.9 -26.5 209 209 X I H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.795 115.7 50.3 -72.0 -31.9 -0.8 -1.2 -29.1 210 210 X H H > S+ 0 0 140 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 112.1 46.0 -75.9 -42.3 -1.6 2.3 -27.8 211 211 X T H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.910 112.7 52.6 -62.5 -46.6 -0.8 1.5 -24.2 212 212 X F H X S+ 0 0 49 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.911 108.8 49.4 -55.7 -44.7 2.4 -0.2 -25.4 213 213 X H H X S+ 0 0 106 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.877 109.0 52.0 -61.5 -45.2 3.4 2.9 -27.4 214 214 X R H X S+ 0 0 107 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.797 103.9 58.2 -59.0 -33.8 2.7 5.1 -24.3 215 215 X F H X S+ 0 0 9 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.897 106.2 49.1 -63.5 -43.5 5.0 2.8 -22.2 216 216 X Y H X S+ 0 0 162 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.894 110.3 50.5 -60.4 -47.1 7.9 3.5 -24.6 217 217 X Q H X S+ 0 0 55 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.891 110.6 48.6 -60.8 -42.9 7.2 7.2 -24.4 218 218 X Y H X S+ 0 0 14 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.938 111.7 50.5 -61.2 -47.7 7.3 7.0 -20.6 219 219 X L H X S+ 0 0 29 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.907 108.6 51.5 -53.8 -44.4 10.5 5.0 -20.7 220 220 X A H X S+ 0 0 49 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.975 113.9 44.4 -58.9 -51.1 12.1 7.6 -23.1 221 221 X H H X S+ 0 0 47 -4,-2.3 4,-2.5 62,-0.2 -2,-0.2 0.891 111.3 52.7 -60.8 -41.5 11.1 10.4 -20.6 222 222 X S H X S+ 0 0 6 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.939 107.1 52.4 -57.8 -52.0 12.3 8.4 -17.6 223 223 X K H X S+ 0 0 105 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.900 111.8 48.3 -48.1 -42.7 15.8 7.9 -19.2 224 224 X Q H X S+ 0 0 68 -4,-1.8 4,-0.7 -5,-0.2 -2,-0.2 0.919 111.0 47.9 -67.5 -48.6 15.9 11.6 -19.7 225 225 X V H >X S+ 0 0 38 -4,-2.5 4,-0.8 1,-0.2 3,-0.7 0.889 112.6 50.2 -56.9 -41.4 14.9 12.5 -16.1 226 226 X F H >X S+ 0 0 58 -4,-2.9 4,-2.2 1,-0.2 3,-0.6 0.906 108.4 51.9 -66.1 -40.1 17.4 10.0 -14.8 227 227 X R H 3< S+ 0 0 169 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.604 119.4 36.0 -72.8 -8.9 20.2 11.4 -16.9 228 228 X E H << S+ 0 0 115 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.332 132.8 21.0-122.7 -6.6 19.5 15.0 -15.7 229 229 X A H << S+ 0 0 20 -4,-0.8 -3,-0.2 -3,-0.6 2,-0.2 0.535 80.3 127.5-142.3 -20.6 18.5 14.4 -12.1 230 230 X A < - 0 0 31 -4,-2.2 -42,-0.3 -5,-0.4 2,-0.1 -0.339 43.0-150.9 -62.6 125.1 19.9 11.0 -10.9 231 231 X Q B -g 188 0B 29 -44,-2.1 -42,-3.1 -2,-0.2 -1,-0.1 -0.454 18.1-101.7 -89.6 151.9 21.9 11.1 -7.6 232 232 X N > - 0 0 81 -44,-0.2 4,-2.2 -2,-0.1 3,-0.2 -0.417 21.6-129.0 -53.9 143.8 24.9 9.0 -6.2 233 233 X P H > S+ 0 0 8 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.816 114.3 59.8 -66.0 -22.5 24.1 6.3 -3.6 234 234 X E H > S+ 0 0 102 2,-0.2 4,-1.2 1,-0.2 -3,-0.0 0.889 106.8 45.0 -65.4 -41.0 27.0 8.1 -1.8 235 235 X E H > S+ 0 0 98 -3,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.895 114.3 49.4 -65.3 -47.1 25.0 11.4 -1.8 236 236 X V H >X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 3,-0.9 0.938 106.1 56.4 -60.8 -52.4 21.9 9.5 -0.7 237 237 X A H 3X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.824 98.5 60.6 -47.3 -38.9 23.8 7.7 2.1 238 238 X E H 3X S+ 0 0 65 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.880 100.5 56.6 -59.3 -31.5 24.8 11.1 3.7 239 239 X V H S+ 0 0 150 -2,-0.3 3,-1.5 1,-0.2 -1,-0.0 0.483 74.6 101.0 -87.7 -3.6 14.6 19.6 -3.3 258 258 X R T 3 S+ 0 0 132 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.650 80.2 41.9 -63.6 -26.0 13.9 19.1 -7.1 259 259 X F T 3> S+ 0 0 34 -3,-0.3 4,-2.2 1,-0.1 -1,-0.3 0.490 86.1 95.8-101.7 -2.8 10.5 17.6 -7.0 260 260 X L H <> S+ 0 0 66 -3,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.874 81.1 54.7 -61.5 -37.7 9.1 19.9 -4.3 261 261 X P H >> S+ 0 0 92 0, 0.0 4,-1.7 0, 0.0 3,-1.5 0.981 110.5 46.3 -50.6 -62.7 7.5 22.3 -6.8 262 262 X L H 3> S+ 0 0 26 -4,-0.3 4,-1.2 1,-0.3 -2,-0.2 0.806 111.3 52.0 -46.9 -41.8 5.6 19.4 -8.4 263 263 X L H 3X S+ 0 0 8 -4,-2.2 4,-1.2 2,-0.2 -1,-0.3 0.711 103.5 59.5 -68.2 -24.3 4.6 18.1 -5.0 264 264 X R H < - 0 0 24 -4,-0.7 3,-1.7 -3,-0.5 6,-0.3 -0.836 68.6-179.4-113.5 88.5 -5.4 21.3 -5.9 270 270 X P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.737 74.1 72.5 -58.0 -28.1 -6.9 18.5 -3.8 271 271 X S T 3 S- 0 0 95 1,-0.1 -5,-0.1 -3,-0.1 -3,-0.0 0.627 101.4-134.1 -58.0 -16.7 -9.2 17.4 -6.8 272 272 X G S <> S+ 0 0 25 -3,-1.7 4,-2.1 -6,-0.3 5,-0.2 0.341 73.4 118.8 75.5 -5.5 -5.9 16.0 -8.2 273 273 X S H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.903 70.6 48.4 -61.8 -42.3 -6.8 17.6 -11.6 274 274 X N H > S+ 0 0 80 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.954 113.8 47.2 -62.8 -44.2 -3.7 20.0 -11.8 275 275 X Y H > S+ 0 0 19 -10,-0.3 4,-3.0 -6,-0.3 5,-0.2 0.916 112.6 47.3 -61.1 -44.2 -1.2 17.2 -11.0 276 276 X V H X S+ 0 0 96 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.854 115.4 46.7 -72.7 -34.9 -2.7 14.7 -13.4 277 277 X T H X S+ 0 0 93 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.959 114.3 45.8 -68.6 -53.7 -2.7 17.3 -16.1 278 278 X A H X S+ 0 0 8 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.884 116.2 46.4 -54.4 -48.3 0.9 18.6 -15.5 279 279 X M H X S+ 0 0 13 -4,-3.0 4,-2.6 -5,-0.3 5,-0.3 0.892 107.6 55.8 -68.2 -39.0 2.2 15.1 -15.2 280 280 X H H X S+ 0 0 97 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.959 115.1 39.3 -56.1 -45.7 0.4 13.9 -18.3 281 281 X R H < S+ 0 0 156 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.930 112.9 56.0 -72.9 -44.7 2.0 16.6 -20.4 282 282 X E H < S+ 0 0 78 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.895 118.7 33.5 -46.4 -46.2 5.4 16.3 -18.6 283 283 X V H < 0 0 7 -4,-2.6 -62,-0.2 -5,-0.1 -2,-0.2 0.858 360.0 360.0 -84.7 -38.7 5.5 12.6 -19.5 284 284 X F < 0 0 61 -4,-2.8 -70,-0.0 -5,-0.3 -66,-0.0 -0.620 360.0 360.0-111.4 360.0 3.9 12.5 -22.9