==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-DEC-04 1Y5M . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE, ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.ZHANG,T.D.OSSLUND,M.H.PLANT,C.L.CLOGSTON,R.E.NYBO,F.XIONG, . 530 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 397 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 3.2 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 1 1 2 0 0 1 3 2 2 2 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 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 PARALLEL BRIDGES PER LADDER . 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 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 25 A E 0 0 187 0, 0.0 2,-0.3 0, 0.0 226,-0.0 0.000 360.0 360.0 360.0 122.7 78.5 25.1 24.2 2 26 A E - 0 0 174 2,-0.0 2,-0.1 1,-0.0 0, 0.0 -0.909 360.0-105.3-122.1 148.8 80.1 24.8 27.6 3 27 A F - 0 0 33 -2,-0.3 220,-0.1 2,-0.0 221,-0.0 -0.427 30.6-179.9 -76.4 145.7 83.0 26.8 29.1 4 28 A R > - 0 0 153 -2,-0.1 3,-2.4 219,-0.1 4,-0.2 -0.982 33.3-131.3-142.4 126.2 86.6 25.4 29.5 5 29 A P G > S+ 0 0 60 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.605 102.0 77.2 -56.5 -7.4 89.4 27.5 31.0 6 30 A E G > S+ 0 0 92 1,-0.2 3,-1.8 2,-0.2 -3,-0.0 0.826 75.8 76.4 -69.8 -30.3 91.5 26.5 28.0 7 31 A M G < S+ 0 0 77 -3,-2.4 -1,-0.2 1,-0.3 26,-0.0 0.600 99.2 42.2 -56.3 -14.4 89.6 29.0 25.9 8 32 A L G X S+ 0 0 4 -3,-1.0 3,-1.4 -4,-0.2 -1,-0.3 0.443 80.9 121.2-113.9 -2.0 91.6 31.8 27.5 9 33 A Q T < S+ 0 0 129 -3,-1.8 26,-0.3 1,-0.3 25,-0.2 -0.463 91.5 1.5 -63.7 122.9 95.0 30.2 27.4 10 34 A G T 3 S+ 0 0 35 24,-3.7 -1,-0.3 -2,-0.2 25,-0.2 0.316 97.2 141.5 81.7 -9.8 97.3 32.4 25.4 11 35 A K < - 0 0 79 -3,-1.4 25,-3.6 23,-0.1 2,-0.7 -0.284 52.8-125.7 -67.1 150.4 94.6 35.1 24.7 12 36 A K E +a 36 0A 58 23,-0.2 78,-2.9 25,-0.0 79,-2.2 -0.880 37.4 179.1-101.4 112.5 95.5 38.8 24.8 13 37 A V E -ab 37 91A 0 23,-2.9 25,-2.0 -2,-0.7 2,-0.4 -0.938 21.4-159.6-123.8 137.8 93.3 40.6 27.2 14 38 A I E -ab 38 92A 0 77,-2.4 79,-1.8 -2,-0.4 2,-0.4 -0.886 11.1-171.6-108.6 140.2 92.9 44.2 28.4 15 39 A V E -ab 39 93A 0 23,-2.0 25,-1.5 -2,-0.4 3,-0.5 -0.950 5.2-160.1-136.6 115.7 91.2 45.0 31.7 16 40 A T S S+ 0 0 0 77,-2.1 25,-0.2 -2,-0.4 23,-0.0 -0.504 78.0 26.8 -89.5 164.0 90.3 48.5 32.8 17 41 A G S > S+ 0 0 19 23,-0.3 3,-0.6 -2,-0.2 6,-0.5 0.881 78.3 145.2 52.8 38.9 89.6 49.4 36.4 18 42 A A T 3 + 0 0 0 22,-2.0 23,-0.1 -3,-0.5 -1,-0.1 0.358 39.5 92.2 -90.1 6.1 91.8 46.4 37.3 19 43 A S T 3 S- 0 0 25 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.799 103.1 -26.9 -68.7 -30.1 93.3 48.1 40.4 20 44 A K S X> S+ 0 0 110 -3,-0.6 4,-0.9 30,-0.0 3,-0.8 -0.943 103.8 38.9-166.7-175.7 90.6 46.6 42.7 21 45 A G H 3> S- 0 0 13 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 -0.281 118.8 -14.2 62.6-142.7 87.0 45.3 42.9 22 46 A I H 3> S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.857 136.0 59.4 -61.6 -39.7 85.7 43.2 40.0 23 47 A G H <> S+ 0 0 0 -3,-0.8 4,-2.0 -6,-0.5 -5,-0.2 0.934 105.1 46.3 -56.6 -51.0 88.5 44.3 37.7 24 48 A R H X S+ 0 0 79 -4,-0.9 4,-2.2 -7,-0.4 -1,-0.2 0.885 111.4 54.0 -60.0 -39.0 91.3 42.9 40.0 25 49 A E H X S+ 0 0 21 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.835 107.6 49.7 -65.7 -33.4 89.3 39.7 40.3 26 50 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 -3,-0.2 5,-0.2 0.862 107.1 55.2 -73.7 -34.6 89.1 39.3 36.6 27 51 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.958 108.7 48.6 -60.4 -49.3 92.9 39.8 36.3 28 52 A Y H X S+ 0 0 50 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.899 113.5 46.0 -56.8 -46.6 93.5 37.0 38.7 29 53 A H H X S+ 0 0 16 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.882 112.8 48.8 -66.0 -41.1 91.1 34.6 36.9 30 54 A L H ><>S+ 0 0 0 -4,-2.6 5,-1.6 1,-0.2 3,-0.7 0.890 111.2 52.9 -65.1 -37.9 92.5 35.5 33.5 31 55 A S H ><5S+ 0 0 0 -4,-2.6 3,-1.8 -5,-0.2 -2,-0.2 0.915 105.1 52.4 -63.6 -44.2 96.0 34.9 35.0 32 56 A K H 3<5S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.624 106.3 56.4 -68.5 -11.7 95.2 31.5 36.3 33 57 A M T <<5S- 0 0 22 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.358 119.6-109.2 -99.6 3.8 94.0 30.6 32.8 34 58 A G T < 5 + 0 0 16 -3,-1.8 -24,-3.7 1,-0.2 2,-0.2 0.909 64.5 153.1 72.1 43.8 97.3 31.4 31.2 35 59 A A < - 0 0 1 -5,-1.6 25,-1.2 -26,-0.3 26,-0.9 -0.649 48.4-116.4-103.3 160.7 96.2 34.6 29.4 36 60 A H E -ac 12 61A 53 -25,-3.6 -23,-2.9 -2,-0.2 2,-0.4 -0.806 42.3-172.1 -91.2 135.9 98.3 37.6 28.4 37 61 A V E -ac 13 62A 0 24,-2.2 26,-1.7 -2,-0.4 2,-0.4 -0.988 26.2-169.7-139.5 143.6 97.0 40.7 30.2 38 62 A V E -ac 14 63A 1 -25,-2.0 -23,-2.0 -2,-0.4 2,-0.3 -0.995 21.6-162.1-127.8 123.3 97.5 44.4 30.3 39 63 A L E -ac 15 64A 0 24,-3.0 26,-2.3 -2,-0.4 2,-0.3 -0.707 7.9-173.7-107.3 156.5 95.9 46.3 33.1 40 64 A T E + c 0 65A 1 -25,-1.5 -22,-2.0 -2,-0.3 -21,-0.4 -0.988 20.2 125.9-148.4 155.7 95.0 50.0 33.7 41 65 A A E - c 0 66A 15 24,-0.5 26,-3.1 -2,-0.3 6,-0.0 -0.917 64.0 -84.9 177.1-174.3 93.7 52.3 36.4 42 66 A R S S+ 0 0 174 -2,-0.3 2,-0.5 24,-0.2 -1,-0.1 0.942 102.0 70.0 -80.9 -50.6 94.8 55.5 38.0 43 67 A S > - 0 0 53 1,-0.2 4,-1.6 23,-0.1 5,-0.1 -0.580 55.4-167.9 -79.0 121.3 97.2 54.3 40.8 44 68 A E H > S+ 0 0 111 -2,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.866 90.1 57.6 -70.5 -36.7 100.5 52.8 39.6 45 69 A E H > S+ 0 0 136 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.904 108.2 45.6 -61.4 -42.9 101.2 51.5 43.1 46 70 A G H > S+ 0 0 16 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.865 111.2 52.0 -69.9 -36.2 97.9 49.5 43.1 47 71 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.870 104.1 58.2 -68.0 -35.8 98.5 48.1 39.5 48 72 A Q H X S+ 0 0 83 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.890 104.3 51.1 -62.2 -38.9 102.0 46.9 40.4 49 73 A K H X S+ 0 0 138 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.928 113.5 43.6 -64.9 -45.0 100.6 44.7 43.2 50 74 A V H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.898 111.6 53.2 -68.8 -39.8 98.0 43.1 41.0 51 75 A V H X S+ 0 0 13 -4,-2.7 4,-1.6 2,-0.2 5,-0.2 0.913 109.6 49.9 -61.8 -39.6 100.5 42.6 38.1 52 76 A S H X S+ 0 0 76 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.955 110.8 48.7 -61.6 -48.4 102.9 40.9 40.5 53 77 A R H X S+ 0 0 97 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.818 105.1 61.8 -60.3 -32.5 100.1 38.6 41.7 54 78 A C H >X>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-0.7 0.925 106.9 40.3 -63.3 -47.7 99.2 37.8 38.1 55 79 A L H ><5S+ 0 0 82 -4,-1.6 3,-1.4 -3,-0.3 -1,-0.2 0.933 112.2 58.4 -66.2 -41.2 102.5 36.2 37.1 56 80 A E H 3<5S+ 0 0 138 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.710 108.0 48.0 -58.8 -19.3 102.5 34.6 40.5 57 81 A L H <<5S- 0 0 40 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.568 131.8 -86.9 -98.7 -12.1 99.1 33.0 39.5 58 82 A G T <<5 + 0 0 41 -3,-1.4 -3,-0.2 -4,-0.7 -2,-0.1 0.549 61.9 168.6 119.5 10.9 100.2 31.8 36.1 59 83 A A < - 0 0 11 -5,-2.5 -1,-0.2 1,-0.2 3,-0.2 -0.332 35.8-140.8 -57.7 130.7 99.7 34.8 33.8 60 84 A A S S- 0 0 51 -25,-1.2 2,-0.2 1,-0.3 -24,-0.2 0.678 87.6 -12.1 -66.0 -14.3 101.4 34.1 30.4 61 85 A S E -c 36 0A 45 -26,-0.9 -24,-2.2 -7,-0.1 2,-0.4 -0.823 67.4-164.5 178.2 141.1 102.3 37.7 30.6 62 86 A A E +c 37 0A 19 -2,-0.2 2,-0.3 -26,-0.2 -24,-0.2 -0.982 15.8 154.7-145.0 131.5 101.3 40.8 32.7 63 87 A H E -c 38 0A 76 -26,-1.7 -24,-3.0 -2,-0.4 2,-0.3 -0.962 19.7-150.0-147.7 162.1 101.8 44.5 32.3 64 88 A Y E -c 39 0A 51 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.979 9.1-167.4-138.8 153.2 100.2 47.8 33.4 65 89 A I E -c 40 0A 25 -26,-2.3 -24,-0.5 -2,-0.3 2,-0.1 -0.874 21.5-148.0-140.2 100.8 99.7 51.4 32.2 66 90 A A E +c 41 0A 31 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.417 38.6 116.4 -72.6 144.7 98.4 53.9 34.8 67 91 A G - 0 0 18 -26,-3.1 2,-0.5 -2,-0.1 -24,-0.1 -0.948 58.6 -88.3 171.5 170.1 96.2 56.8 33.8 68 92 A T > - 0 0 58 -2,-0.3 3,-1.6 1,-0.1 7,-0.2 -0.887 18.1-149.3-106.3 129.1 92.8 58.5 34.0 69 93 A M T 3 S+ 0 0 14 -2,-0.5 -1,-0.1 1,-0.3 53,-0.1 0.408 90.3 82.7 -73.7 3.1 90.0 57.6 31.6 70 94 A E T 3 S+ 0 0 102 1,-0.1 2,-0.7 51,-0.0 -1,-0.3 0.738 80.7 73.8 -76.0 -22.2 88.8 61.2 31.9 71 95 A D <> - 0 0 70 -3,-1.6 4,-2.0 1,-0.2 5,-0.1 -0.837 69.1-164.7 -94.7 110.2 91.4 61.9 29.3 72 96 A M H > S+ 0 0 25 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.803 88.1 56.2 -66.6 -30.9 90.2 60.6 25.9 73 97 A T H > S+ 0 0 89 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.897 109.2 47.0 -69.0 -37.8 93.7 60.8 24.3 74 98 A F H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.907 111.0 51.6 -67.3 -42.0 95.1 58.6 27.1 75 99 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 -7,-0.2 -2,-0.2 0.916 114.0 44.8 -59.3 -44.4 92.2 56.2 26.7 76 100 A E H X S+ 0 0 95 -4,-2.2 4,-1.3 1,-0.2 3,-0.2 0.944 116.3 43.7 -66.0 -49.7 92.8 56.0 23.0 77 101 A Q H X S+ 0 0 84 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.758 105.0 65.4 -70.0 -23.8 96.6 55.7 23.2 78 102 A F H X S+ 0 0 1 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.948 100.8 50.3 -61.5 -48.1 96.3 53.1 26.1 79 103 A I H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.2 -2,-0.2 0.931 111.3 46.3 -55.9 -52.3 94.6 50.7 23.7 80 104 A V H X S+ 0 0 47 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.902 113.2 49.6 -61.8 -41.0 97.3 50.9 21.0 81 105 A K H X S+ 0 0 111 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.944 111.6 48.6 -61.8 -47.2 100.1 50.6 23.5 82 106 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 5,-0.2 0.903 109.9 53.8 -58.3 -41.7 98.5 47.6 25.1 83 107 A G H X>S+ 0 0 5 -4,-2.5 5,-2.3 -5,-0.2 4,-1.5 0.890 109.9 46.4 -60.4 -41.3 98.1 46.1 21.6 84 108 A K H <5S+ 0 0 164 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.927 108.1 55.8 -68.0 -45.1 101.8 46.6 20.9 85 109 A L H <5S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.825 122.0 28.2 -56.5 -34.5 102.9 45.1 24.2 86 110 A M H <5S- 0 0 20 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.550 106.1-122.1-104.3 -10.7 100.9 41.9 23.4 87 111 A G T <5S- 0 0 53 -4,-1.5 2,-0.2 -5,-0.2 -3,-0.2 0.940 81.8 -2.0 69.3 46.7 101.1 42.0 19.7 88 112 A G S + 0 0 89 -2,-0.1 4,-1.1 3,-0.1 3,-0.3 0.999 24.5 177.4 63.0 69.9 76.1 69.6 39.9 109 133 A I H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.822 77.0 63.7 -73.3 -31.9 76.0 69.4 36.1 110 134 A H H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.817 101.2 52.5 -62.3 -28.7 79.8 69.2 36.0 111 135 A S H > S+ 0 0 25 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.886 107.0 51.0 -73.6 -39.7 79.5 65.9 37.9 112 136 A V H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.899 110.5 49.8 -64.0 -40.6 77.0 64.5 35.4 113 137 A R H X S+ 0 0 65 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.929 109.1 50.4 -64.8 -45.1 79.3 65.4 32.5 114 138 A R H X S+ 0 0 61 -4,-1.9 4,-2.8 1,-0.2 5,-0.4 0.915 111.0 51.0 -59.5 -41.0 82.3 63.7 34.2 115 139 A V H X>S+ 0 0 7 -4,-2.2 4,-2.4 1,-0.2 5,-0.5 0.914 112.4 44.0 -62.7 -44.5 80.2 60.6 34.7 116 140 A M H X>S+ 0 0 10 -4,-2.2 5,-2.9 3,-0.2 4,-0.9 0.823 114.6 52.5 -70.4 -28.8 79.1 60.5 31.1 117 141 A E H <>S+ 0 0 26 -4,-2.4 5,-2.3 3,-0.2 -2,-0.2 0.966 122.2 26.3 -69.7 -54.4 82.7 61.2 30.0 118 142 A V H <5S+ 0 0 8 -4,-2.8 -2,-0.2 3,-0.2 -3,-0.2 0.912 128.1 42.3 -77.0 -46.2 84.4 58.4 32.0 119 143 A N H <5S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.809 135.2 9.7 -74.0 -31.8 81.5 55.9 32.3 120 144 A F T >X S+ 0 0 0 -3,-0.9 4,-2.4 -6,-0.2 -1,-0.2 0.898 108.1 44.8 -73.1 -41.7 84.2 53.2 26.4 124 148 A V H X S+ 0 0 1 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.900 114.0 51.6 -69.1 -37.1 83.2 54.2 22.9 125 149 A V H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.958 114.4 41.6 -61.6 -51.8 86.7 55.7 22.4 126 150 A M H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.879 114.9 49.7 -65.2 -40.0 88.5 52.6 23.6 127 151 A S H X S+ 0 0 9 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.895 111.5 50.7 -66.4 -38.3 86.2 50.2 21.8 128 152 A T H < S+ 0 0 36 -4,-2.2 3,-0.4 -5,-0.2 -2,-0.2 0.938 112.4 45.4 -63.6 -47.3 86.6 52.2 18.6 129 153 A A H < S+ 0 0 23 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.804 115.7 47.7 -66.8 -28.9 90.4 52.1 18.9 130 154 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.643 88.4 85.1 -88.6 -14.6 90.4 48.4 19.7 131 155 A L H X S+ 0 0 35 -4,-1.3 4,-2.7 -3,-0.4 5,-0.2 0.894 82.0 58.8 -56.6 -46.0 88.1 47.2 16.9 132 156 A P H > S+ 0 0 81 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.951 112.9 38.6 -49.6 -55.2 90.8 46.9 14.2 133 157 A M H > S+ 0 0 34 -4,-0.4 4,-1.5 1,-0.2 -44,-0.3 0.870 114.2 56.0 -63.2 -37.5 92.8 44.4 16.2 134 158 A L H X>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 4,-0.8 0.851 103.6 54.4 -64.0 -35.4 89.6 42.7 17.5 135 159 A K H <5S+ 0 0 95 -4,-2.7 3,-0.3 3,-0.2 -1,-0.2 0.865 105.0 55.0 -66.8 -33.9 88.5 42.2 13.9 136 160 A Q H <5S+ 0 0 164 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.870 119.4 30.8 -66.7 -37.8 91.8 40.4 13.2 137 161 A S H <5S- 0 0 39 -4,-1.5 -1,-0.2 -48,-0.3 -2,-0.2 0.362 104.8-121.2-102.0 5.7 91.4 37.9 16.0 138 162 A N T <5 + 0 0 79 -4,-0.8 -3,-0.2 -3,-0.3 47,-0.2 0.940 59.1 171.3 52.2 45.9 87.6 37.8 15.8 139 163 A G < - 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0 0 11 42,-3.0 2,-0.4 -2,-0.4 43,-0.1 -0.005 62.6 -40.1 -82.7-161.8 57.6 56.0 16.5 459 217 B L - 0 0 43 17,-0.2 19,-2.6 -47,-0.1 2,-0.4 -0.492 67.9-156.4 -67.0 119.6 58.4 57.3 13.0 460 218 B I B -p 478 0F 15 -2,-0.4 2,-2.1 17,-0.2 6,-0.2 -0.814 22.9-116.4-104.2 144.4 56.9 60.8 12.7 461 219 B D + 0 0 80 17,-3.4 19,-0.2 -2,-0.4 2,-0.2 -0.118 64.2 136.7 -68.5 41.2 56.0 62.5 9.4 462 220 B T > - 0 0 19 -2,-2.1 4,-2.6 1,-0.1 5,-0.3 -0.588 63.8-121.0 -89.6 155.5 58.4 65.4 9.7 463 221 B E H > S+ 0 0 145 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.890 112.8 52.9 -59.6 -42.3 60.5 66.6 6.8 464 222 B T H > S+ 0 0 69 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.912 113.2 43.1 -60.8 -44.5 63.7 66.0 8.7 465 223 B A H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.982 114.7 47.8 -65.3 -58.4 62.7 62.4 9.5 466 224 B M H X S+ 0 0 68 -4,-2.6 4,-0.7 -6,-0.2 -2,-0.2 0.839 115.3 47.2 -52.2 -37.6 61.4 61.5 6.0 467 225 B K H < S+ 0 0 156 -4,-2.2 3,-0.5 -5,-0.3 -1,-0.2 0.910 110.3 51.3 -72.7 -42.1 64.5 63.1 4.4 468 226 B E H < S+ 0 0 57 -4,-2.1 -100,-0.5 -5,-0.2 -2,-0.2 0.769 112.9 43.7 -68.7 -27.3 67.0 61.3 6.7 469 227 B I H >X S+ 0 0 20 -4,-1.9 3,-2.8 -5,-0.1 4,-2.6 0.568 81.0 132.6 -94.8 -9.0 65.6 57.8 6.2 470 228 B S T 3< S- 0 0 91 -4,-0.7 4,-0.1 -3,-0.5 -3,-0.1 -0.148 84.3 -1.3 -47.1 124.4 65.1 58.1 2.4 471 229 B G T 34 S+ 0 0 54 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.386 131.3 66.7 74.4 -5.4 66.6 55.1 0.7 472 230 B I T <4 S+ 0 0 21 -3,-2.8 -211,-2.6 1,-0.3 2,-0.5 0.783 104.2 24.6-110.0 -52.5 67.6 53.6 4.0 473 231 B I B < -I 260 0D 28 -4,-2.6 2,-0.7 -213,-0.2 -1,-0.3 -0.977 60.5-164.2-123.1 125.6 64.5 52.8 6.0 474 232 B N + 0 0 142 -215,-2.5 2,-0.3 -2,-0.5 -4,-0.0 -0.854 38.4 125.2-111.5 96.6 61.1 52.1 4.3 475 233 B A - 0 0 34 -2,-0.7 2,-0.4 0, 0.0 -2,-0.1 -0.934 60.7 -94.3-144.6 166.3 58.3 52.4 6.9 476 234 B Q - 0 0 151 -2,-0.3 -17,-0.2 1,-0.0 2,-0.2 -0.687 37.8-149.9 -87.1 135.9 55.0 54.2 7.4 477 235 B A - 0 0 22 -2,-0.4 -17,-0.2 -19,-0.1 24,-0.1 -0.675 9.1-125.1-104.2 158.2 55.1 57.4 9.5 478 236 B S B -p 460 0F 6 -19,-2.6 -17,-3.4 -2,-0.2 2,-0.2 -0.653 39.4 -86.9 -97.9 158.2 52.4 58.9 11.7 479 237 B P > - 0 0 50 0, 0.0 4,-1.8 0, 0.0 5,-0.1 -0.457 28.1-142.0 -67.5 128.1 51.1 62.5 11.4 480 238 B K H > S+ 0 0 41 -2,-0.2 4,-2.1 -19,-0.2 5,-0.1 0.820 96.9 57.6 -60.0 -34.6 53.1 65.1 13.2 481 239 B E H > S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.946 108.5 43.1 -64.0 -49.4 50.0 67.1 14.3 482 240 B E H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.881 111.3 57.4 -64.2 -36.3 48.3 64.2 16.1 483 241 B C H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.932 106.2 48.5 -58.5 -47.6 51.7 63.3 17.7 484 242 B A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.900 109.6 52.5 -60.5 -41.7 52.0 66.7 19.2 485 243 B L H X S+ 0 0 43 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.874 108.3 50.6 -64.2 -37.9 48.5 66.6 20.6 486 244 B E H X S+ 0 0 65 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.892 107.5 53.3 -67.9 -39.8 49.1 63.2 22.3 487 245 B I H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.935 112.5 44.7 -59.3 -46.9 52.3 64.5 23.9 488 246 B I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.927 114.1 48.3 -63.8 -46.9 50.5 67.4 25.4 489 247 B K H X S+ 0 0 35 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.907 113.7 47.9 -60.3 -44.3 47.5 65.4 26.5 490 248 B G H <>S+ 0 0 3 -4,-2.8 5,-2.3 2,-0.2 -2,-0.2 0.921 114.4 44.4 -64.3 -45.5 49.8 62.8 28.1 491 249 B T H ><5S+ 0 0 0 -4,-2.5 3,-1.7 -5,-0.2 -2,-0.2 0.920 111.9 53.3 -65.8 -43.3 51.9 65.4 29.9 492 250 B A H 3<5S+ 0 0 22 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.875 109.4 49.3 -58.9 -36.8 48.8 67.3 31.0 493 251 B L T 3<5S- 0 0 12 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.425 112.4-124.4 -83.3 2.6 47.4 64.0 32.5 494 252 B R T < 5 + 0 0 85 -3,-1.7 -3,-0.2 1,-0.2 -42,-0.2 0.835 46.3 171.5 58.1 38.2 50.7 63.5 34.2 495 253 B K < - 0 0 95 -5,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.490 36.6-136.1 -74.7 148.1 51.3 60.0 32.7 496 254 B S S S+ 0 0 67 1,-0.2 -42,-2.4 -43,-0.2 2,-0.3 0.882 86.1 16.0 -72.0 -37.4 54.7 58.5 33.3 497 255 B E E -o 454 0E 40 -44,-0.2 2,-0.4 -7,-0.1 -1,-0.2 -0.996 59.5-164.2-142.1 144.4 55.0 57.4 29.7 498 256 B V E -o 455 0E 14 -44,-2.5 -42,-3.3 -2,-0.3 2,-0.5 -0.992 7.1-165.3-128.5 125.8 53.4 58.1 26.4 499 257 B Y E +o 456 0E 45 -2,-0.4 2,-0.4 -44,-0.2 -42,-0.2 -0.942 7.6 179.3-111.2 129.2 53.8 55.8 23.4 500 258 B Y E +o 457 0E 18 -44,-2.4 -42,-3.0 -2,-0.5 2,-0.3 -0.931 27.1 122.3-133.7 109.0 52.8 57.1 20.0 501 259 B D - 0 0 47 -2,-0.4 -24,-0.1 -44,-0.2 -2,-0.0 -0.967 67.9-101.7-157.8 166.1 53.3 54.8 17.0 502 260 B K S S+ 0 0 119 -2,-0.3 -1,-0.1 -26,-0.2 -25,-0.1 0.944 99.7 69.2 -59.4 -52.1 51.4 53.1 14.2 503 261 B S > - 0 0 44 1,-0.1 3,-0.8 -3,-0.1 -2,-0.1 -0.505 66.8-151.7 -77.9 131.8 51.2 49.7 15.9 504 262 B P T 3 S+ 0 0 105 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.565 98.0 64.9 -75.5 -3.8 49.0 49.1 18.9 505 263 B L T 3> S+ 0 0 103 1,-0.1 4,-2.8 2,-0.1 5,-0.3 0.723 81.1 79.2 -87.0 -25.3 51.4 46.4 19.9 506 264 B T H <> S+ 0 0 4 -3,-0.8 4,-2.2 1,-0.2 5,-0.3 0.899 91.4 48.5 -50.8 -51.7 54.4 48.8 20.4 507 265 B P H > S+ 0 0 47 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.897 115.5 46.4 -59.1 -38.7 53.3 50.0 23.8 508 266 B I H 4 S+ 0 0 120 -4,-0.4 4,-0.3 -3,-0.2 -2,-0.2 0.930 114.3 45.9 -69.2 -45.8 52.9 46.4 25.0 509 267 B L H < S+ 0 0 32 -4,-2.8 3,-0.2 1,-0.2 -1,-0.2 0.786 123.3 33.7 -69.0 -29.6 56.1 45.1 23.5 510 268 B L H < S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.532 91.0 93.6-103.9 -8.5 58.2 48.0 24.8 511 269 B G S < S- 0 0 16 -4,-1.3 5,-0.2 -5,-0.3 -1,-0.1 0.687 73.4-152.8 -57.6 -23.0 56.4 48.6 28.1 512 270 B N > - 0 0 18 -4,-0.3 4,-1.4 -3,-0.2 3,-0.5 0.939 19.1-179.0 47.6 67.3 58.8 46.3 30.0 513 271 B P H > S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.846 78.5 64.2 -64.9 -30.3 56.5 45.2 32.8 514 272 B G H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.893 101.2 50.4 -59.0 -39.8 59.3 43.1 34.2 515 273 B R H > S+ 0 0 17 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.913 106.8 53.3 -64.7 -43.9 61.3 46.3 34.9 516 274 B K H X S+ 0 0 131 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.886 109.4 50.0 -59.9 -37.5 58.4 47.9 36.7 517 275 B I H X S+ 0 0 79 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.939 110.3 49.0 -66.5 -46.4 58.2 44.9 38.9 518 276 B M H X S+ 0 0 19 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.897 109.7 52.0 -59.8 -41.5 61.9 45.0 39.7 519 277 B E H X S+ 0 0 42 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.867 108.3 51.9 -63.9 -36.4 61.8 48.7 40.5 520 278 B F H X S+ 0 0 120 -4,-1.6 4,-0.5 -5,-0.2 3,-0.2 0.938 113.1 43.5 -65.5 -48.0 58.9 48.2 42.9 521 279 B F H >< S+ 0 0 92 -4,-2.1 3,-1.0 1,-0.2 4,-0.2 0.862 108.3 58.3 -67.3 -36.4 60.7 45.5 44.8 522 280 B S H >< S+ 0 0 22 -4,-2.4 3,-2.0 1,-0.2 4,-0.3 0.833 92.0 67.7 -65.0 -33.6 64.1 47.3 44.9 523 281 B L H >< S+ 0 0 51 -4,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.807 86.9 72.3 -55.6 -29.9 62.7 50.3 46.7 524 282 B R T << S+ 0 0 168 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.697 90.1 57.6 -59.8 -21.7 62.2 48.0 49.7 525 283 B Y T < S+ 0 0 114 -3,-2.0 -317,-2.4 -4,-0.2 -1,-0.3 0.530 86.7 98.6 -88.7 -5.4 65.9 47.9 50.4 526 284 B Y B < S-H 207 0C 13 -3,-1.7 2,-0.9 -4,-0.3 -319,-0.2 -0.592 80.7-117.5 -85.5 142.3 66.3 51.7 50.8 527 285 B N > - 0 0 60 -321,-1.9 3,-2.3 -2,-0.3 4,-0.3 -0.684 22.8-149.5 -75.9 106.8 66.4 53.4 54.2 528 286 B K G > S+ 0 0 151 -2,-0.9 3,-1.1 1,-0.3 -1,-0.2 0.658 89.3 74.0 -55.1 -16.5 63.3 55.6 54.0 529 287 B D G 3 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.2 -323,-0.0 0.815 86.0 64.7 -67.8 -27.4 64.9 58.2 56.2 530 288 B M G < 0 0 81 -3,-2.3 -1,-0.2 -324,-0.1 -426,-0.2 0.665 360.0 360.0 -69.3 -15.5 67.1 59.2 53.3 531 289 B F < 0 0 57 -3,-1.1 -2,-0.2 -4,-0.3 -85,-0.1 0.921 360.0 360.0 -89.9 360.0 64.1 60.5 51.3