==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-NOV-09 3KM0 . COMPND 2 MOLECULE: ESTRADIOL 17-BETA-DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MAZUMDAR,S.-X.LIN . 550 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 12.9 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 . 27 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 2 0 1 0 4 1 2 5 1 2 0 0 0 2 0 0 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 2 4 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 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 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 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 A 0 0 144 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 19.9 -19.0 -3.1 -30.4 2 2 A R - 0 0 93 29,-0.0 2,-0.6 28,-0.0 28,-0.2 -0.896 360.0 -90.6-143.4 168.2 -15.6 -3.2 -32.2 3 3 A T E -a 30 0A 45 26,-3.3 28,-3.3 -2,-0.3 2,-0.6 -0.798 42.5-145.7 -88.1 119.6 -11.9 -3.5 -31.4 4 4 A V E -a 31 0A 1 -2,-0.6 81,-2.5 26,-0.2 82,-1.4 -0.804 20.1-172.5 -94.6 117.6 -10.6 -0.0 -31.0 5 5 A V E -ab 32 86A 0 26,-4.0 28,-4.1 -2,-0.6 2,-0.5 -0.883 13.7-168.8-118.8 143.7 -7.0 0.5 -32.3 6 6 A L E -ab 33 87A 0 80,-1.8 82,-2.0 -2,-0.4 2,-0.4 -0.970 8.6-176.0-137.3 120.3 -4.5 3.3 -32.2 7 7 A I E -ab 34 88A 0 26,-2.2 28,-2.7 -2,-0.5 3,-0.3 -0.945 14.6-143.9-117.2 127.2 -1.3 3.4 -34.1 8 8 A T S S+ 0 0 4 80,-1.9 28,-0.2 -2,-0.4 57,-0.1 -0.550 79.3 23.2 -90.7 149.0 1.6 6.1 -34.1 9 9 A G + 0 0 23 55,-0.2 6,-0.6 -2,-0.2 7,-0.5 0.955 68.0 156.7 62.2 63.9 3.5 7.0 -37.3 10 10 A C + 0 0 0 25,-2.2 26,-0.2 5,-0.3 -1,-0.1 0.270 43.1 92.6-104.2 17.2 1.0 6.0 -39.9 11 11 A S S S- 0 0 38 24,-0.1 2,-0.3 1,-0.1 34,-0.2 0.756 98.2 -0.5 -76.9 -31.2 2.1 8.2 -42.7 12 12 A S S >> S+ 0 0 79 -3,-0.4 4,-1.1 32,-0.1 3,-0.8 -0.929 105.8 1.9-144.6 169.9 4.3 5.6 -44.3 13 13 A G H 3> S+ 0 0 19 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 -0.009 115.9 0.6 57.7-144.3 5.7 2.1 -43.9 14 14 A I H 3> S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.748 131.2 51.3 -53.8 -39.0 4.7 -0.2 -41.2 15 15 A G H <> S+ 0 0 1 -3,-0.8 4,-4.2 -6,-0.6 -5,-0.3 0.993 115.1 47.1 -60.5 -55.6 2.2 2.1 -39.3 16 16 A L H X S+ 0 0 9 -4,-1.1 4,-2.8 -7,-0.5 5,-0.4 0.894 112.8 44.5 -47.0 -61.5 0.5 2.7 -42.7 17 17 A H H X S+ 0 0 35 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.931 115.7 49.1 -67.6 -33.6 0.3 -0.8 -43.8 18 18 A L H X S+ 0 0 2 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.924 110.5 51.6 -64.2 -43.4 -0.9 -1.9 -40.4 19 19 A A H >X S+ 0 0 0 -4,-4.2 4,-2.0 1,-0.2 3,-1.4 0.996 115.9 38.3 -56.6 -58.4 -3.5 0.9 -40.4 20 20 A V H 3X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.920 112.9 60.6 -61.0 -30.3 -5.0 -0.0 -43.7 21 21 A R H 3< S+ 0 0 64 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.777 111.3 38.0 -64.2 -24.3 -4.6 -3.8 -42.9 22 22 A L H X< S+ 0 0 1 -3,-1.4 3,-1.0 -4,-1.1 8,-0.5 0.846 113.0 52.1-102.8 -41.4 -6.8 -3.6 -40.0 23 23 A A H 3< S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.799 113.7 47.9 -60.6 -41.1 -9.5 -1.1 -41.2 24 24 A S T 3< S+ 0 0 30 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.421 80.5 134.6 -84.5 5.9 -9.9 -3.3 -44.2 25 25 A D X - 0 0 29 -3,-1.0 3,-1.6 1,-0.2 5,-0.1 -0.226 61.2-132.4 -47.2 139.5 -10.1 -6.7 -42.1 26 26 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.578 105.3 68.9 -75.7 -2.6 -13.0 -8.7 -43.5 27 27 A S T 3 S- 0 0 57 1,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.682 91.5-148.7 -75.5 -23.6 -14.1 -9.2 -39.8 28 28 A Q < + 0 0 127 -3,-1.6 -1,-0.1 -6,-0.1 -5,-0.0 0.623 60.6 125.4 54.4 13.5 -15.0 -5.5 -39.7 29 29 A S + 0 0 43 -27,-0.1 -26,-3.3 -7,-0.1 2,-0.5 0.732 44.5 89.3 -63.6 -21.5 -14.0 -5.7 -36.1 30 30 A F E -a 3 0A 16 -8,-0.5 2,-0.5 -28,-0.2 -26,-0.2 -0.643 45.6-176.6 -99.1 124.9 -11.4 -2.9 -36.2 31 31 A K E -a 4 0A 11 -28,-3.3 -26,-4.0 -2,-0.5 2,-0.5 -0.991 28.7-163.8-103.3 122.1 -12.0 0.8 -35.5 32 32 A V E -ac 5 59A 0 26,-1.4 28,-1.9 -2,-0.5 2,-0.7 -0.956 20.5-163.9-122.2 124.3 -8.5 2.2 -36.2 33 33 A Y E -ac 6 60A 6 -28,-4.1 -26,-2.2 -2,-0.5 2,-0.6 -0.952 14.4-166.2-108.4 114.0 -7.2 5.5 -35.2 34 34 A A E -ac 7 61A 0 26,-2.2 28,-1.7 -2,-0.7 2,-0.3 -0.888 7.3-160.7-105.1 126.4 -4.1 6.1 -37.2 35 35 A T E - c 0 62A 0 -28,-2.7 -25,-2.2 -2,-0.6 2,-0.3 -0.778 5.7-165.4-118.4 156.6 -2.1 8.9 -36.0 36 36 A L E - c 0 63A 0 26,-1.5 28,-1.7 -2,-0.3 3,-0.3 -0.998 30.2-128.7-147.4 127.9 0.5 10.9 -37.7 37 37 A R S S+ 0 0 131 -2,-0.3 2,-0.4 1,-0.2 27,-0.1 0.895 106.1 9.1 -25.6 -61.3 3.3 13.4 -36.9 38 38 A D > - 0 0 78 25,-0.1 3,-2.2 -3,-0.1 -1,-0.2 -0.955 68.6-151.9-142.5 99.5 2.1 15.9 -39.5 39 39 A L G > S+ 0 0 64 -2,-0.4 3,-1.9 -3,-0.3 4,-0.1 0.650 89.1 78.9 -60.2 -16.1 -1.4 15.3 -41.1 40 40 A K G 3 S+ 0 0 217 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.681 90.3 57.9 -57.4 -14.3 -0.4 17.1 -44.3 41 41 A T G X S+ 0 0 67 -3,-2.2 3,-0.5 1,-0.2 4,-0.3 0.296 75.7 104.5-104.4 14.2 1.5 13.8 -45.1 42 42 A Q T <> + 0 0 51 -3,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.451 46.0 96.1 -79.5 0.2 -1.7 11.8 -44.9 43 43 A G H 3> S+ 0 0 49 -3,-0.4 4,-2.9 1,-0.2 3,-0.3 0.865 83.3 48.0 -51.9 -55.8 -2.3 11.3 -48.7 44 44 A R H <> S+ 0 0 177 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.881 107.3 57.6 -56.8 -45.6 -0.7 7.9 -49.0 45 45 A L H > S+ 0 0 0 -4,-0.3 4,-2.2 -34,-0.2 -1,-0.2 0.843 113.7 38.9 -40.5 -45.0 -2.6 6.5 -46.0 46 46 A W H X S+ 0 0 104 -4,-1.1 4,-2.7 -3,-0.3 5,-0.2 0.856 111.6 54.8 -93.1 -33.5 -5.8 7.4 -47.7 47 47 A E H X S+ 0 0 117 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.925 115.0 44.4 -56.1 -49.1 -4.8 6.4 -51.3 48 48 A A H X S+ 0 0 25 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.943 115.3 47.6 -55.2 -53.2 -3.9 2.9 -49.7 49 49 A A H X>S+ 0 0 4 -4,-2.2 5,-1.8 2,-0.2 4,-0.5 0.887 112.9 46.3 -58.4 -52.2 -7.2 2.8 -47.6 50 50 A R H ><5S+ 0 0 209 -4,-2.7 3,-1.9 2,-0.2 -2,-0.2 0.979 112.2 53.0 -44.3 -68.1 -9.5 3.8 -50.6 51 51 A A H 3<5S+ 0 0 80 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.825 109.6 49.8 -29.9 -47.0 -7.6 1.2 -52.6 52 52 A L H 3<5S- 0 0 91 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.497 109.5-119.3 -87.0 -4.8 -8.4 -1.4 -49.9 53 53 A A T <<5 - 0 0 78 -3,-1.9 -3,-0.2 -4,-0.5 -2,-0.1 0.830 37.3-173.5 74.8 32.8 -12.1 -0.7 -49.5 54 54 A C < - 0 0 20 -5,-1.8 -1,-0.2 1,-0.1 -30,-0.2 -0.459 29.5-120.8 -58.9 113.0 -12.0 0.3 -45.8 55 55 A P > - 0 0 37 0, 0.0 3,-1.5 0, 0.0 4,-0.1 -0.284 41.6 -93.3 -60.8 144.6 -15.7 0.7 -44.9 56 56 A P T 3 S+ 0 0 130 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.307 111.5 29.9 -77.6 149.0 -16.2 4.2 -43.7 57 57 A G T 3 S+ 0 0 33 2,-0.4 -25,-0.1 -3,-0.1 3,-0.1 0.222 96.2 100.0 86.3 -10.1 -15.9 5.0 -40.1 58 58 A S S < S+ 0 0 2 -3,-1.5 -26,-1.4 1,-0.2 2,-0.3 0.669 84.1 33.5 -84.4 -12.5 -13.5 2.2 -40.1 59 59 A L E +c 32 0A 6 -28,-0.2 -2,-0.4 -5,-0.1 2,-0.3 -0.996 61.8 176.2-140.8 136.8 -10.4 4.5 -40.2 60 60 A E E -c 33 0A 76 -28,-1.9 -26,-2.2 -2,-0.3 2,-0.4 -0.989 20.3-138.0-137.2 145.3 -9.7 8.0 -38.7 61 61 A T E +c 34 0A 30 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.856 22.1 179.2-109.9 148.2 -6.6 10.1 -38.7 62 62 A L E -c 35 0A 13 -28,-1.7 -26,-1.5 -2,-0.4 2,-0.3 -0.926 29.0-112.8-138.8 154.8 -5.5 12.1 -35.8 63 63 A Q E +c 36 0A 75 -2,-0.3 2,-0.2 -28,-0.2 -26,-0.2 -0.675 41.8 159.4 -86.6 146.1 -2.5 14.2 -35.1 64 64 A L - 0 0 6 -28,-1.7 2,-0.6 -2,-0.3 -55,-0.2 -0.789 22.8-169.8-167.4 126.0 -0.0 13.1 -32.7 65 65 A D > - 0 0 25 3,-0.2 3,-1.5 -2,-0.2 7,-0.4 -0.977 13.5-154.5-122.5 115.1 3.5 14.0 -32.1 66 66 A V T 3 S+ 0 0 13 -2,-0.6 54,-0.2 1,-0.3 -1,-0.1 0.656 92.7 66.9 -57.2 -25.8 5.4 11.6 -29.6 67 67 A R T 3 S+ 0 0 81 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.694 98.2 66.8 -69.9 -10.8 7.8 14.3 -28.7 68 68 A D <> - 0 0 69 -3,-1.5 4,-2.1 1,-0.1 3,-0.3 -0.911 60.9-160.5-125.6 121.3 4.9 16.3 -27.1 69 69 A S H > S+ 0 0 53 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.890 96.1 55.4 -59.1 -44.9 2.8 15.5 -24.1 70 70 A K H > S+ 0 0 168 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.848 107.4 47.3 -49.9 -45.1 0.0 17.8 -25.2 71 71 A S H > S+ 0 0 12 -6,-0.3 4,-2.6 -3,-0.3 5,-0.3 0.927 112.2 51.6 -71.3 -47.1 -0.4 16.1 -28.7 72 72 A V H X S+ 0 0 2 -4,-2.1 4,-1.8 -7,-0.4 -2,-0.2 0.933 113.4 43.1 -59.0 -41.3 -0.5 12.8 -26.9 73 73 A A H X S+ 0 0 58 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.919 112.2 56.6 -70.7 -34.1 -3.2 14.1 -24.5 74 74 A A H < S+ 0 0 35 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.846 108.3 43.4 -69.4 -35.8 -5.0 15.7 -27.4 75 75 A A H >< S+ 0 0 2 -4,-2.6 3,-0.9 2,-0.2 4,-0.3 0.861 110.1 57.7 -71.6 -37.0 -5.3 12.5 -29.5 76 76 A R H >< S+ 0 0 61 -4,-1.8 3,-2.1 -5,-0.3 -2,-0.2 0.989 105.8 51.9 -51.4 -55.7 -6.3 10.6 -26.3 77 77 A E T 3< S+ 0 0 124 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.666 100.6 61.2 -50.2 -26.4 -9.2 13.2 -26.0 78 78 A R T < S+ 0 0 139 -3,-0.9 2,-1.7 -4,-0.4 -1,-0.3 0.415 72.9 110.8 -94.9 1.2 -10.4 12.5 -29.7 79 79 A V X - 0 0 10 -3,-2.1 3,-2.5 -4,-0.3 -1,-0.1 -0.578 49.2-172.3 -80.4 72.0 -11.2 8.9 -28.9 80 80 A T T 3 S+ 0 0 117 -2,-1.7 -1,-0.2 1,-0.3 -3,-0.0 0.656 77.0 62.4 9.2 -66.8 -14.8 9.0 -29.1 81 81 A E T 3 S- 0 0 51 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.534 101.0-131.4 -74.7 -5.6 -15.4 5.5 -27.8 82 82 A G S < S+ 0 0 48 -3,-2.5 2,-0.3 -6,-0.1 -2,-0.1 0.422 77.3 71.4 72.7 -16.6 -13.8 6.5 -24.6 83 83 A R - 0 0 56 49,-0.0 2,-0.4 46,-0.0 -2,-0.2 -0.983 62.4-148.2-128.6 155.4 -11.5 3.4 -24.6 84 84 A V + 0 0 0 -2,-0.3 -79,-0.2 41,-0.2 3,-0.1 -0.947 12.7 177.4-104.7 134.4 -8.4 1.9 -26.5 85 85 A D S S+ 0 0 34 -81,-2.5 51,-2.6 1,-0.4 2,-0.4 0.860 77.4 27.8 -98.9 -56.0 -8.2 -2.0 -26.9 86 86 A V E -bd 5 136A 2 -82,-1.4 -80,-1.8 49,-0.2 -1,-0.4 -0.914 66.5-174.0 -91.4 135.3 -5.0 -2.1 -28.9 87 87 A L E -bd 6 137A 0 49,-1.8 51,-1.7 -2,-0.4 2,-0.8 -0.921 6.7-164.6-122.7 110.8 -2.3 0.5 -28.7 88 88 A V E -bd 7 138A 1 -82,-2.0 -80,-1.9 -2,-0.4 2,-0.8 -0.800 5.7-160.6 -99.7 109.4 0.5 0.2 -31.2 89 89 A C E + d 0 139A 6 49,-2.2 51,-2.7 -2,-0.8 -82,-0.1 -0.786 38.1 140.0 -88.0 99.6 3.7 2.3 -30.4 90 90 A N + 0 0 23 -2,-0.8 -1,-0.2 49,-0.2 -81,-0.1 0.633 20.9 109.6-118.5 -37.0 5.3 2.4 -33.8 91 91 A A + 0 0 30 26,-0.1 2,-0.3 22,-0.0 49,-0.1 -0.204 45.7 145.5 -48.8 148.8 6.8 5.9 -34.5 92 92 A G - 0 0 37 25,-0.0 2,-0.3 -83,-0.0 18,-0.1 -0.957 33.5-145.7-177.1 154.2 10.8 5.6 -34.5 93 93 A L - 0 0 70 -2,-0.3 2,-0.2 17,-0.2 21,-0.0 -0.893 10.5-139.9-126.2 167.2 14.1 6.9 -36.1 94 94 A G - 0 0 49 -2,-0.3 2,-0.3 2,-0.0 58,-0.0 -0.610 7.9-158.2-112.3 176.1 17.5 5.5 -37.0 95 95 A L - 0 0 29 -2,-0.2 2,-0.4 56,-0.0 60,-0.4 -0.905 9.0-170.3-161.3 128.4 21.0 7.0 -36.7 96 96 A L + 0 0 80 -2,-0.3 56,-0.2 58,-0.1 55,-0.1 -0.963 31.9 68.3-132.9 130.6 23.8 5.9 -38.6 97 97 A G S S- 0 0 6 54,-2.5 56,-0.4 -2,-0.4 2,-0.2 -0.701 80.9 -47.1 150.4 162.4 27.5 6.8 -38.3 98 98 A P > - 0 0 3 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.497 56.3-124.6 -52.2 118.6 30.8 6.7 -36.3 99 99 A L G > S+ 0 0 2 1,-0.3 3,-1.8 -2,-0.2 304,-0.1 0.886 111.9 55.3 -31.0 -58.2 29.8 7.5 -32.8 100 100 A E G 3 S+ 0 0 30 1,-0.3 -1,-0.3 302,-0.1 102,-0.0 0.642 104.9 50.9 -46.5 -41.8 32.4 10.3 -32.9 101 101 A A G < S+ 0 0 10 -3,-2.1 2,-0.4 2,-0.1 -1,-0.3 0.255 90.0 110.3 -81.7 6.0 30.8 11.9 -36.1 102 102 A L < - 0 0 20 -3,-1.8 2,-0.2 -4,-0.4 -5,-0.1 -0.714 68.8-125.8 -97.1 136.2 27.3 11.9 -34.4 103 103 A G > - 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0 0 10 -2,-0.3 4,-1.3 1,-0.1 5,-0.1 -0.438 40.7-112.1 -90.3 163.6 39.8 8.7 -38.4 204 209 A I H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.770 114.5 49.7 -72.1 -30.7 40.7 7.0 -41.7 205 210 A H H > S+ 0 0 110 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.841 112.0 49.7 -72.2 -29.8 40.4 3.3 -40.5 206 211 A T H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.1 -2,-0.2 0.824 113.6 47.4 -74.4 -27.7 37.0 4.1 -38.9 207 212 A F H X S+ 0 0 63 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.913 108.8 52.7 -84.5 -46.1 36.0 5.7 -42.3 208 213 A H H X S+ 0 0 102 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.942 112.7 46.8 -51.3 -45.4 37.3 2.8 -44.3 209 214 A R H X S+ 0 0 55 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.806 102.4 58.9 -80.7 -21.6 35.2 0.5 -42.0 210 215 A F H X S+ 0 0 25 -4,-1.2 4,-2.7 2,-0.2 3,-0.3 0.960 105.7 53.9 -61.7 -47.7 32.1 2.5 -42.2 211 216 A Y H X S+ 0 0 180 -4,-2.0 4,-2.2 1,-0.3 -2,-0.2 0.839 108.4 47.4 -47.4 -47.0 32.3 1.9 -46.0 212 217 A Q H X S+ 0 0 57 -4,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.829 112.5 51.9 -61.1 -32.8 32.6 -1.9 -45.4 213 218 A Y H X S+ 0 0 23 -4,-1.5 4,-3.3 -3,-0.3 -2,-0.2 0.948 110.2 46.3 -68.7 -61.8 29.7 -1.5 -43.1 214 219 A L H X S+ 0 0 55 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.805 113.3 49.8 -36.7 -52.4 27.6 0.4 -45.8 215 220 A A H X S+ 0 0 51 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.888 112.9 46.3 -62.8 -42.1 28.5 -2.2 -48.5 216 221 A H H X S+ 0 0 35 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.932 109.7 51.9 -73.2 -40.9 27.5 -5.1 -46.3 217 222 A S H X S+ 0 0 20 -4,-3.3 4,-1.5 2,-0.2 -1,-0.2 0.687 106.5 56.7 -67.9 -16.4 24.2 -3.7 -45.1 218 223 A K H X S+ 0 0 102 -4,-1.0 4,-1.9 -5,-0.2 3,-0.3 0.956 105.6 48.8 -69.6 -59.7 23.3 -3.0 -48.8 219 224 A Q H X S+ 0 0 94 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.928 110.0 53.6 -35.8 -53.1 23.7 -6.7 -49.6 220 225 A V H X S+ 0 0 28 -4,-1.9 4,-1.9 1,-0.2 5,-0.2 0.880 107.3 49.7 -50.8 -48.9 21.5 -7.5 -46.5 221 226 A F H X S+ 0 0 88 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.2 0.882 113.6 48.4 -44.8 -51.2 18.6 -5.2 -47.7 222 227 A R H < S+ 0 0 196 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.948 121.3 34.4 -55.1 -61.6 18.9 -7.0 -51.2 223 228 A E H < S+ 0 0 136 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.739 133.2 19.0 -61.2 -36.9 18.9 -10.4 -49.7 224 229 A A H < S+ 0 0 16 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.562 73.9 125.1-136.6 -11.5 16.6 -10.0 -46.7 225 230 A A < - 0 0 20 -4,-1.9 2,-0.3 -5,-0.2 -37,-0.2 -0.259 46.6-141.8 -55.1 139.6 14.2 -7.0 -46.5 226 231 A Q B -g 188 0B 16 -39,-1.7 -37,-2.5 -37,-0.1 -1,-0.1 -0.725 19.4-104.7-100.5 153.7 10.6 -7.9 -45.9 227 232 A N > - 0 0 82 -2,-0.3 4,-1.8 -39,-0.2 5,-0.1 -0.498 30.6-122.9 -68.2 148.1 7.4 -6.2 -47.4 228 233 A P H > S+ 0 0 5 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.774 114.9 59.7 -58.9 -25.1 5.7 -3.9 -44.8 229 234 A E H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.939 101.4 50.6 -71.2 -46.5 2.7 -6.1 -45.5 230 235 A E H 4 S+ 0 0 93 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.879 115.1 47.2 -52.3 -43.5 4.5 -9.3 -44.5 231 236 A V H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 4,-0.5 0.901 108.3 49.0 -68.1 -54.6 5.4 -7.4 -41.3 232 237 A A H >X S+ 0 0 1 -4,-3.2 4,-1.8 1,-0.2 3,-1.4 0.875 99.8 71.1 -59.2 -27.0 2.0 -5.9 -40.4 233 238 A E H 3X S+ 0 0 68 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.884 95.5 52.8 -49.4 -28.9 0.7 -9.4 -40.8 234 239 A V H <> S+ 0 0 24 -3,-1.3 4,-1.3 -4,-0.5 -1,-0.2 0.683 100.0 58.2 -89.7 -14.2 2.5 -10.4 -37.7 235 240 A F H <> S+ 0 0 0 -3,-1.4 4,-0.9 -4,-0.5 -1,-0.2 0.797 103.9 57.0 -84.8 -34.5 1.0 -7.6 -35.5 236 241 A L H >X S+ 0 0 6 -4,-1.8 4,-2.1 1,-0.2 3,-1.2 0.969 104.9 49.4 -57.1 -56.0 -2.3 -9.1 -36.4 237 242 A T H 3X S+ 0 0 55 -4,-1.5 4,-2.6 1,-0.3 -2,-0.2 0.881 107.5 52.5 -44.5 -47.6 -1.3 -12.5 -35.0 238 243 A A H 3< S+ 0 0 1 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.683 112.5 46.1 -72.8 -15.2 -0.1 -11.2 -31.7 239 244 A L H << S+ 0 0 22 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.731 111.0 52.8 -98.4 -23.1 -3.4 -9.3 -31.2 240 245 A R H < S+ 0 0 159 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.963 88.5 106.5 -67.6 -49.1 -5.4 -12.5 -32.3 241 246 A A < - 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0 0 29 -2,-0.3 4,-0.4 1,-0.1 -1,-0.2 0.416 41.4-103.2 -51.1-156.6 -4.0 4.5 -8.8 478 209 B I S S+ 0 0 95 2,-0.2 -1,-0.1 3,-0.1 -5,-0.0 0.501 111.8 48.4-127.1 -5.4 -4.3 2.3 -5.8 479 210 B H S > S+ 0 0 113 2,-0.1 4,-1.1 3,-0.1 -1,-0.1 0.446 115.5 48.9-104.1 -8.6 -3.6 -1.2 -6.7 480 211 B T H > S+ 0 0 0 2,-0.2 4,-0.9 1,-0.1 -2,-0.2 0.855 113.9 46.4 -83.2 -45.4 -0.4 0.1 -8.5 481 212 B F H 4 S+ 0 0 70 -4,-0.4 -2,-0.1 2,-0.2 -3,-0.1 0.618 108.5 60.0 -72.5 -19.0 0.4 2.0 -5.4 482 213 B H H 4 S+ 0 0 102 1,-0.1 4,-0.4 3,-0.1 -2,-0.2 0.974 108.7 39.1 -65.2 -74.8 -0.4 -1.1 -3.4 483 214 B R H X S+ 0 0 50 -4,-1.1 4,-2.2 1,-0.3 -2,-0.2 0.202 90.1 82.6 -74.8 0.4 2.2 -3.3 -5.0 484 215 B F T < S+ 0 0 31 -4,-0.9 -1,-0.3 2,-0.2 -3,-0.1 -0.352 101.7 46.0 -80.1 37.2 4.9 -0.8 -5.2 485 216 B Y T > S+ 0 0 168 3,-0.0 4,-3.6 0, 0.0 5,-0.4 0.132 105.7 55.4-130.8 -47.0 5.2 -2.0 -1.6 486 217 B Q H > S+ 0 0 64 -4,-0.4 4,-1.5 1,-0.3 -2,-0.2 0.929 112.1 46.2 -54.7 -38.8 5.0 -5.4 -2.5 487 218 B Y H X S+ 0 0 25 -4,-2.2 4,-2.2 2,-0.2 -1,-0.3 0.896 111.0 48.3 -69.4 -52.1 7.8 -4.7 -4.8 488 219 B L H > S+ 0 0 59 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.851 106.9 57.8 -57.9 -38.1 10.0 -2.8 -2.3 489 220 B A H X S+ 0 0 50 -4,-3.6 4,-1.8 2,-0.2 -1,-0.2 0.910 106.3 53.3 -54.6 -43.3 9.5 -5.5 0.3 490 221 B H H X S+ 0 0 47 -4,-1.5 4,-0.8 -5,-0.4 -2,-0.2 0.984 110.5 42.4 -60.3 -57.2 11.0 -7.8 -2.4 491 222 B S H >X S+ 0 0 23 -4,-2.2 4,-2.6 2,-0.2 3,-1.9 0.945 108.2 60.3 -53.9 -51.0 14.2 -5.7 -2.9 492 223 B K H >X S+ 0 0 134 -4,-2.8 4,-1.5 1,-0.3 3,-0.6 0.943 110.2 40.8 -37.7 -69.2 14.7 -5.1 0.9 493 224 B Q H 3X S+ 0 0 127 -4,-1.8 4,-1.2 1,-0.2 -1,-0.3 0.647 115.7 55.9 -59.4 -5.9 15.0 -8.9 1.5 494 225 B V H > - 0 0 54 -2,-0.3 4,-1.5 -33,-0.2 3,-0.8 -0.613 26.8-110.9 -86.1 161.6 30.1 -3.8 -1.0 502 233 B P H 3> S+ 0 0 6 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.626 117.5 62.3 -54.6 -29.7 31.9 -1.5 -3.4 503 234 B E H 3> S+ 0 0 96 2,-0.2 4,-0.9 1,-0.2 -209,-0.0 0.797 105.2 46.5 -71.8 -29.6 35.3 -3.1 -2.3 504 235 B E H <> S+ 0 0 105 -3,-0.8 4,-0.7 2,-0.2 3,-0.2 0.929 113.5 48.5 -76.4 -37.6 34.0 -6.4 -3.7 505 236 B V H >X S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.2 4,-1.6 0.927 103.8 60.4 -57.4 -58.5 32.9 -4.7 -6.9 506 237 B A H 3X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.3 5,-0.2 0.793 96.4 61.7 -39.5 -41.8 36.2 -2.8 -7.3 507 238 B E H 3X S+ 0 0 78 -4,-0.9 4,-2.7 2,-0.2 -1,-0.3 0.818 102.1 50.3 -60.5 -35.6 38.0 -6.2 -7.5 508 239 B V H < S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.911 112.1 49.3 -73.3 -38.5 38.8 -6.9 -15.9 513 244 B L H 3< S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.566 110.2 50.3 -79.4 -12.2 41.5 -4.2 -16.5 514 245 B R T 3< S+ 0 0 147 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.393 84.3 116.3 -97.1 -2.1 44.4 -6.7 -15.8 515 246 B A < - 0 0 18 -3,-0.8 -3,-0.0 -4,-0.3 -4,-0.0 -0.557 59.1-150.4 -68.4 129.6 42.9 -9.2 -18.3 516 247 B P S S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.983 95.4 21.3 -51.8 -62.3 45.2 -9.9 -21.3 517 248 B K S S- 0 0 140 -58,-0.0 -2,-0.0 2,-0.0 2,-0.0 -0.727 94.3-156.8-119.7 77.6 42.3 -10.6 -23.6 518 249 B P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 -58,-0.1 -0.229 6.0-133.4 -61.6 137.4 39.1 -9.0 -22.0 519 250 B T - 0 0 35 2,-0.1 -57,-0.2 1,-0.1 -252,-0.1 -0.633 22.8-117.2 -83.8 152.5 35.5 -9.9 -22.5 520 251 B L S S+ 0 0 9 -2,-0.3 -58,-3.0 -254,-0.2 2,-0.4 0.825 98.1 44.8 -47.7 -42.6 32.7 -7.5 -23.1 521 252 B R E -m 462 0C 12 -255,-2.1 2,-0.3 -60,-0.2 -58,-0.2 -0.970 54.7-178.3-122.7 136.3 31.0 -8.5 -19.8 522 253 B Y E -m 463 0C 34 -60,-3.1 -58,-2.8 -2,-0.4 2,-0.6 -0.881 19.7-146.6-108.6 140.3 32.1 -9.2 -16.1 523 254 B F E -m 464 0C 54 -2,-0.3 -58,-0.2 -60,-0.2 -60,-0.1 -0.963 4.5-154.8-113.5 112.5 29.5 -10.4 -13.5 524 255 B T S S+ 0 0 17 -60,-2.8 2,-0.3 -2,-0.6 -59,-0.2 0.743 79.1 11.8 -60.5 -13.5 30.2 -9.1 -10.1 525 256 B T - 0 0 35 -61,-0.5 3,-0.2 -3,-0.1 -1,-0.1 -0.959 58.7-133.5-154.2 161.3 28.2 -12.2 -8.8 526 257 B E S > S+ 0 0 111 -2,-0.3 3,-1.1 1,-0.1 -1,-0.0 0.443 78.4 97.6 -96.6 -8.8 26.7 -15.4 -9.7 527 258 B R T 3 S+ 0 0 131 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.828 87.6 40.5 -52.8 -34.1 23.2 -14.9 -7.9 528 259 B F T 3> S+ 0 0 37 1,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.502 82.6 93.0-102.3 -0.0 21.3 -13.8 -11.0 529 260 B L H <> S+ 0 0 22 -3,-1.1 4,-3.0 1,-0.2 -1,-0.2 0.608 81.7 59.3 -76.9 -13.8 22.5 -16.0 -13.8 530 261 B P H > S+ 0 0 80 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.919 109.8 42.9 -66.6 -52.8 19.6 -18.7 -13.3 531 262 B L H > S+ 0 0 27 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.856 118.9 48.7 -46.9 -42.8 16.9 -15.9 -13.9 532 263 B L H X S+ 0 0 9 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.950 108.1 49.1 -75.1 -53.2 19.2 -14.8 -16.8 533 264 B R H X S+ 0 0 110 -4,-3.0 4,-3.4 1,-0.2 -2,-0.2 0.905 113.1 51.7 -52.0 -36.1 19.7 -18.2 -18.4 534 265 B M H < S+ 0 0 58 -4,-2.3 10,-0.5 2,-0.2 -2,-0.2 0.903 109.2 47.6 -63.7 -42.2 16.0 -18.5 -18.1 535 266 B R H >< S+ 0 0 37 -4,-1.8 3,-0.7 2,-0.2 6,-0.3 0.900 117.1 44.8 -59.6 -50.4 15.5 -15.0 -19.9 536 267 B L H 3< S+ 0 0 18 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.960 105.5 59.1 -50.8 -63.2 18.0 -16.2 -22.5 537 268 B D T 3< S+ 0 0 123 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.436 108.7 51.0 -50.2 -7.5 16.4 -19.8 -22.8 538 269 B D X + 0 0 28 -3,-0.7 3,-2.3 -4,-0.2 -1,-0.2 -0.643 56.5 169.3-134.6 86.9 13.1 -18.0 -23.8 539 270 B P T 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.977 81.0 68.4 -57.9 -61.6 13.5 -15.4 -26.7 540 271 B S T 3 S- 0 0 29 1,-0.1 -293,-2.0 -294,-0.1 -294,-0.8 0.546 103.0-140.2 -7.1 -36.2 9.8 -15.3 -26.9 541 272 B G <> + 0 0 0 -3,-2.3 4,-1.5 -6,-0.3 5,-0.2 0.136 69.1 103.3 87.2 -26.7 10.0 -13.7 -23.5 542 273 B S H > S+ 0 0 37 2,-0.2 4,-1.9 -295,-0.1 5,-0.1 0.880 74.6 53.7 -81.9 -31.3 7.1 -15.1 -21.5 543 274 B N H >> S+ 0 0 84 2,-0.2 3,-3.7 1,-0.2 4,-1.4 0.974 110.3 50.5 -46.2 -79.4 8.8 -17.7 -19.2 544 275 B Y H 3> S+ 0 0 1 -10,-0.5 4,-3.4 1,-0.3 5,-0.2 0.725 112.0 48.0 -31.6 -52.5 11.2 -14.9 -17.9 545 276 B V H 3X S+ 0 0 9 -4,-1.5 4,-1.6 2,-0.2 -1,-0.3 0.794 114.9 46.0 -53.8 -35.6 8.1 -12.7 -17.3 546 277 B T H X S+ 0 0 22 -4,-1.6 4,-1.7 -5,-0.2 3,-1.7 1.000 112.3 40.6 -63.6 -51.3 6.4 -12.0 -11.8 550 281 B R H >< S+ 0 0 156 -4,-2.1 3,-1.1 1,-0.3 -2,-0.2 0.941 108.5 61.4 -62.0 -60.4 6.1 -14.8 -9.1 551 282 B E H 3< S+ 0 0 62 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.620 120.1 27.6 -9.0 -46.2 9.6 -14.1 -7.6 552 283 B V H << 0 0 9 -3,-1.7 -1,-0.3 -4,-0.8 -2,-0.2 0.477 360.0 360.0-115.1 -15.3 8.4 -10.6 -6.8 553 284 B F << 0 0 53 -4,-1.7 -2,-0.2 -3,-1.1 -3,-0.1 -0.239 360.0 360.0-139.0 360.0 4.7 -11.2 -6.4