==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-NOV-04 2BEL . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.KAVANAGH,X.WU,S.SVENSSON,B.ELLEBY,F.VON DELFT,J.E.DEBRECZE . 1001 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 769 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 13.8 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 . 78 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 409 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 4.1 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 2 5 2 2 0 0 4 2 7 3 4 1 3 0 0 0 0 0 3 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 13 2 3 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 . 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 4 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 26 A E 0 0 126 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.7 -15.4 36.3 26.3 2 27 A F - 0 0 42 3,-0.0 220,-0.1 2,-0.0 221,-0.0 -0.376 360.0-179.5 -65.9 143.7 -15.2 32.5 26.9 3 28 A R > - 0 0 121 -2,-0.1 3,-2.1 219,-0.1 4,-0.3 -0.982 35.7-121.9-138.3 142.7 -16.8 30.8 29.9 4 29 A P G > S+ 0 0 66 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.758 106.1 71.2 -43.5 -35.0 -16.7 27.1 30.8 5 30 A E G > S+ 0 0 116 1,-0.3 3,-0.9 2,-0.2 -3,-0.0 0.713 81.1 76.1 -64.2 -18.6 -20.6 26.8 30.7 6 31 A M G < S+ 0 0 41 -3,-2.1 -1,-0.3 1,-0.2 -4,-0.0 0.825 100.0 41.7 -56.4 -35.3 -20.3 27.2 26.9 7 32 A L G X S+ 0 0 3 -3,-2.0 3,-1.9 -4,-0.3 -1,-0.2 0.484 85.7 123.3 -89.4 -5.7 -19.1 23.5 26.8 8 33 A Q T < S- 0 0 125 -3,-0.9 26,-0.3 -4,-0.4 25,-0.2 -0.393 89.0 -2.8 -68.1 127.6 -21.6 22.2 29.3 9 34 A G T 3 S+ 0 0 36 24,-3.0 -1,-0.3 1,-0.3 25,-0.2 0.517 98.8 142.9 68.5 7.3 -23.7 19.4 27.8 10 35 A K < - 0 0 86 -3,-1.9 25,-3.7 19,-0.1 2,-0.8 -0.512 52.6-128.3 -77.8 147.4 -21.9 19.9 24.5 11 36 A K E -a 35 0A 20 23,-0.2 78,-2.4 -2,-0.2 79,-1.7 -0.848 35.6-178.5-104.4 102.7 -21.2 16.7 22.5 12 37 A V E -ab 36 90A 0 23,-2.3 25,-2.0 -2,-0.8 2,-0.5 -0.872 22.6-158.3-114.1 135.1 -17.5 16.7 21.5 13 38 A I E -ab 37 91A 0 77,-2.8 79,-2.9 -2,-0.4 2,-0.4 -0.939 12.9-173.8 -98.9 130.9 -15.2 14.3 19.6 14 39 A V E -ab 38 92A 0 23,-2.0 25,-1.1 -2,-0.5 3,-0.3 -0.995 7.4-159.7-121.8 123.3 -11.5 14.6 20.3 15 40 A T S S+ 0 0 0 77,-2.2 25,-0.2 -2,-0.4 23,-0.0 -0.618 74.0 27.9 -99.4 161.9 -9.1 12.6 18.1 16 41 A G S S+ 0 0 17 23,-0.4 6,-0.5 -2,-0.2 7,-0.3 0.946 82.6 143.2 52.0 51.2 -5.6 11.6 19.0 17 42 A A + 0 0 0 22,-2.3 23,-0.2 -3,-0.3 9,-0.1 0.237 34.3 89.2-112.8 10.3 -6.8 11.7 22.7 18 43 A S S S- 0 0 16 21,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.688 104.0 -4.2 -75.2 -20.8 -4.9 8.9 24.4 19 44 A K S >> S+ 0 0 123 -3,-0.2 4,-1.0 30,-0.0 3,-0.7 -0.944 105.1 19.3-158.7 175.2 -2.1 11.3 25.2 20 45 A G H 3> S- 0 0 12 -2,-0.3 4,-1.8 1,-0.2 3,-0.3 -0.150 118.6 -10.6 60.5-141.6 -0.5 14.7 24.8 21 46 A I H 3> S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 133.6 59.4 -60.9 -41.0 -2.7 17.7 23.8 22 47 A G H <> S+ 0 0 0 -3,-0.7 4,-2.0 -6,-0.5 -5,-0.2 0.904 106.2 45.5 -56.0 -46.1 -5.6 15.4 22.9 23 48 A R H X S+ 0 0 73 -4,-1.0 4,-2.6 -3,-0.3 -1,-0.2 0.916 111.2 52.6 -68.4 -43.1 -6.0 13.9 26.4 24 49 A E H X S+ 0 0 25 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.893 109.2 52.7 -53.5 -41.8 -5.6 17.4 28.1 25 50 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.933 108.9 47.4 -62.1 -47.1 -8.4 18.6 25.8 26 51 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.929 111.7 50.7 -59.1 -47.9 -10.7 15.7 26.9 27 52 A Y H X S+ 0 0 41 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.864 110.4 49.9 -58.1 -41.5 -9.9 16.3 30.5 28 53 A H H X S+ 0 0 26 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.937 111.1 48.9 -61.6 -48.2 -10.8 20.1 30.1 29 54 A L H X>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.7 0.880 111.4 50.4 -58.3 -42.0 -14.1 19.2 28.3 30 55 A A H ><5S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.950 107.3 51.8 -60.6 -54.0 -14.9 16.7 31.2 31 56 A K H 3<5S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.762 111.3 51.1 -51.5 -29.4 -14.2 19.3 33.9 32 57 A M H 3<5S- 0 0 25 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.590 119.5-109.4 -88.1 -14.0 -16.6 21.6 31.9 33 58 A G T <<5 + 0 0 17 -3,-1.4 -24,-3.0 -4,-0.7 -3,-0.2 0.690 66.7 144.0 93.5 22.4 -19.5 19.1 31.7 34 59 A A < - 0 0 0 -5,-2.6 25,-1.9 -26,-0.3 26,-0.7 -0.358 53.3-114.6 -76.1 165.1 -19.3 18.2 28.0 35 60 A H E -ac 11 60A 49 -25,-3.7 -23,-2.3 24,-0.3 2,-0.4 -0.790 39.1-160.2 -87.5 149.3 -20.0 14.7 26.6 36 61 A V E -ac 12 61A 0 24,-2.3 26,-2.0 -2,-0.3 2,-0.5 -0.999 25.6-172.0-137.9 138.2 -16.9 13.3 25.0 37 62 A V E -ac 13 62A 0 -25,-2.0 -23,-2.0 -2,-0.4 2,-0.3 -0.988 22.9-170.3-122.8 117.4 -16.0 10.5 22.6 38 63 A V E -ac 14 63A 0 24,-2.7 26,-1.6 -2,-0.5 2,-0.3 -0.749 5.1-177.2-106.6 152.6 -12.3 10.0 22.4 39 64 A T + 0 0 2 -25,-1.1 -22,-2.3 -2,-0.3 -23,-0.4 -0.982 20.4 132.4-148.9 159.3 -10.3 7.9 20.0 40 65 A A - 0 0 16 24,-0.4 26,-2.2 -2,-0.3 24,-0.1 -0.826 66.5 -88.2-178.8-174.0 -6.7 6.8 19.2 41 66 A R S S+ 0 0 165 -2,-0.3 2,-0.8 24,-0.2 26,-0.1 0.761 100.0 85.9 -84.1 -22.1 -5.4 3.3 18.4 42 67 A S > - 0 0 58 1,-0.2 4,-2.0 24,-0.1 5,-0.2 -0.701 53.1-171.2-100.2 106.7 -4.7 2.2 22.0 43 68 A K H > S+ 0 0 62 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.918 82.4 49.5 -56.7 -53.4 -7.7 0.7 24.0 44 69 A E H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.888 113.8 45.6 -62.3 -40.2 -6.3 0.5 27.5 45 70 A T H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 110.0 54.2 -72.4 -38.8 -5.0 4.1 27.5 46 71 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.921 106.4 53.2 -59.2 -41.0 -8.3 5.4 26.1 47 72 A Q H X S+ 0 0 91 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.924 105.7 53.8 -61.4 -42.5 -10.1 3.6 28.9 48 73 A K H X S+ 0 0 79 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.911 111.2 45.5 -51.1 -50.2 -7.7 5.5 31.4 49 74 A V H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.894 112.1 52.8 -61.7 -43.3 -8.8 8.8 29.9 50 75 A V H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.977 110.4 44.6 -59.1 -53.6 -12.4 7.9 29.9 51 76 A S H X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.870 114.5 49.4 -64.4 -36.9 -12.6 6.9 33.6 52 77 A H H X S+ 0 0 64 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.3 0.911 108.2 54.5 -65.3 -40.4 -10.7 10.0 34.6 53 78 A C H X>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 4,-0.7 0.932 108.8 47.8 -57.9 -46.5 -13.1 12.1 32.4 54 79 A L H ><5S+ 0 0 90 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.924 110.5 52.4 -56.3 -49.6 -16.0 10.6 34.3 55 80 A E H 3<5S+ 0 0 153 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 107.7 51.4 -50.9 -41.6 -14.2 11.4 37.6 56 81 A L H 3<5S- 0 0 56 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.596 129.7 -99.7 -76.6 -12.2 -13.7 15.0 36.4 57 82 A G T <<5 + 0 0 44 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.704 53.0 177.0 102.8 26.5 -17.5 15.1 35.7 58 83 A A < - 0 0 10 -5,-2.3 -23,-0.2 -8,-0.2 -1,-0.2 -0.343 37.8-129.2 -52.0 132.3 -18.0 14.5 32.0 59 84 A A S S- 0 0 54 -25,-1.9 2,-0.3 1,-0.3 -24,-0.3 0.921 90.7 -20.1 -50.8 -45.2 -21.7 14.4 31.2 60 85 A S E -c 35 0A 24 -26,-0.7 -24,-2.3 2,-0.0 2,-0.3 -0.968 67.2-163.1-157.9 163.2 -20.6 11.2 29.4 61 86 A A E +c 36 0A 7 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.965 13.6 162.0-154.6 126.9 -17.5 9.7 28.1 62 87 A H E -c 37 0A 70 -26,-2.0 -24,-2.7 -2,-0.3 2,-0.3 -0.963 19.2-148.5-140.9 155.1 -16.7 6.9 25.7 63 88 A Y E -c 38 0A 81 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.892 5.7-169.4-119.5 158.1 -13.8 5.7 23.6 64 89 A I - 0 0 40 -26,-1.6 -24,-0.4 -2,-0.3 2,-0.3 -0.922 20.9-145.3-142.5 119.3 -13.6 3.9 20.3 65 90 A A + 0 0 29 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.643 38.8 113.7 -95.1 143.3 -10.2 2.6 19.3 66 91 A G - 0 0 19 -26,-2.2 2,-0.4 -2,-0.3 -26,-0.1 -0.885 57.7 -88.4 173.7 166.2 -8.9 2.5 15.8 67 92 A T > - 0 0 43 -2,-0.3 3,-1.4 -26,-0.1 6,-0.2 -0.791 19.0-143.0 -97.0 138.0 -6.3 3.8 13.3 68 93 A M T 3 S+ 0 0 13 -2,-0.4 53,-0.2 1,-0.3 -1,-0.1 0.321 95.5 77.3 -83.3 5.3 -6.8 6.9 11.1 69 94 A E T 3 S+ 0 0 85 1,-0.1 2,-0.9 51,-0.1 -1,-0.3 0.736 82.6 75.1 -69.4 -33.7 -5.0 5.2 8.3 70 95 A D <> - 0 0 77 -3,-1.4 4,-1.7 1,-0.2 -1,-0.1 -0.772 67.4-168.7 -86.8 106.9 -8.2 3.2 7.8 71 96 A M H > S+ 0 0 26 -2,-0.9 4,-2.2 1,-0.2 5,-0.2 0.804 87.4 58.7 -69.1 -27.6 -10.6 5.6 6.1 72 97 A T H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.934 104.4 50.3 -65.7 -44.0 -13.4 3.2 6.7 73 98 A F H > S+ 0 0 22 -6,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.905 108.0 55.7 -57.1 -41.4 -12.7 3.4 10.4 74 99 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.961 111.0 41.4 -57.1 -54.7 -12.8 7.2 10.2 75 100 A E H X S+ 0 0 100 -4,-2.2 4,-2.0 1,-0.2 3,-0.3 0.950 119.0 45.3 -55.8 -54.7 -16.3 7.3 8.6 76 101 A Q H X S+ 0 0 124 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.909 106.1 60.0 -59.5 -46.2 -17.7 4.7 10.9 77 102 A F H X S+ 0 0 2 -4,-3.3 4,-2.3 -5,-0.3 -1,-0.2 0.891 107.2 46.3 -47.9 -48.1 -16.1 6.2 14.0 78 103 A V H X S+ 0 0 1 -4,-1.7 4,-2.6 -3,-0.3 5,-0.3 0.960 111.2 50.4 -63.9 -51.1 -18.0 9.4 13.5 79 104 A A H X S+ 0 0 67 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.946 115.4 44.3 -50.7 -51.2 -21.4 7.7 12.8 80 105 A Q H X S+ 0 0 42 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.791 112.3 51.9 -67.6 -32.9 -20.9 5.6 16.0 81 106 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 5,-0.2 0.939 108.5 49.0 -66.7 -50.6 -19.7 8.6 18.2 82 107 A G H X>S+ 0 0 3 -4,-2.6 5,-2.5 1,-0.2 4,-1.2 0.821 110.8 53.8 -60.1 -31.4 -22.7 10.8 17.3 83 108 A K H <5S+ 0 0 175 -4,-1.4 3,-0.5 -5,-0.3 -1,-0.2 0.958 105.7 50.4 -68.9 -49.9 -24.9 7.9 18.1 84 109 A L H <5S+ 0 0 83 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.893 123.8 32.3 -54.7 -38.3 -23.3 7.4 21.6 85 110 A M H <5S- 0 0 17 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.569 105.4-125.8 -93.7 -11.2 -23.9 11.1 22.3 86 111 A G T <5S+ 0 0 66 -4,-1.2 -3,-0.2 -3,-0.5 2,-0.2 0.983 81.8 5.3 58.2 57.1 -27.1 11.5 20.2 87 112 A G S + 0 0 82 1,-0.2 4,-1.6 2,-0.1 5,-0.1 -0.514 14.1 153.9 -93.6 74.8 10.8 7.8 1.7 108 133 A I H > S+ 0 0 33 -2,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.802 72.2 63.7 -63.9 -33.0 7.7 8.3 -0.5 109 134 A H H > S+ 0 0 124 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.911 103.3 45.8 -57.7 -47.1 6.0 5.8 1.9 110 135 A H H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 112.5 52.5 -64.8 -38.3 6.4 8.2 4.8 111 136 A V H X S+ 0 0 1 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.912 112.0 43.7 -64.5 -43.6 5.2 11.1 2.5 112 137 A R H X S+ 0 0 78 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.893 114.8 49.5 -69.2 -38.1 2.0 9.2 1.5 113 138 A K H X S+ 0 0 65 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.914 109.0 52.3 -71.4 -40.6 1.3 8.0 5.1 114 139 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.4 0.930 112.3 46.1 -54.0 -46.9 1.7 11.5 6.5 115 140 A M H X>S+ 0 0 7 -4,-1.9 5,-3.4 -5,-0.2 4,-1.0 0.872 114.4 48.7 -66.2 -35.6 -0.8 12.8 3.9 116 141 A E H <>S+ 0 0 41 -4,-1.9 5,-2.5 3,-0.2 -2,-0.2 0.958 122.5 29.4 -69.4 -52.4 -3.2 10.0 4.6 117 142 A V H <5S+ 0 0 7 -4,-3.0 5,-0.2 3,-0.2 -2,-0.2 0.943 126.3 40.2 -77.8 -48.5 -3.2 10.2 8.4 118 143 A N H <5S+ 0 0 0 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.665 136.6 6.4 -77.5 -21.2 -2.5 13.9 9.0 119 144 A F T X5S+ 0 0 2 -4,-1.0 4,-1.3 -5,-0.4 3,-0.4 0.656 122.1 51.5-128.8 -59.5 -4.7 15.2 6.2 120 145 A L H >> S+ 0 0 0 -3,-0.4 4,-1.5 -6,-0.2 -1,-0.3 0.843 106.4 48.7 -61.4 -34.7 -9.3 14.8 8.6 123 148 A V H S+ 0 0 81 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.924 115.0 42.1 -51.9 -48.3 -24.6 16.5 8.7 132 157 A M H > S+ 0 0 29 -4,-0.4 4,-1.6 1,-0.2 -44,-0.3 0.887 114.6 50.8 -64.6 -40.7 -24.6 16.5 12.6 133 158 A L H X>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.7 0.875 107.3 55.1 -66.0 -32.5 -22.5 19.7 12.7 134 159 A K H ><5S+ 0 0 92 -4,-2.5 3,-0.7 -5,-0.2 -1,-0.2 0.933 108.9 46.3 -65.6 -42.4 -25.0 21.4 10.4 135 160 A Q H 3<5S+ 0 0 146 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.787 118.5 41.4 -74.9 -26.0 -28.0 20.6 12.6 136 161 A S H 3<5S- 0 0 36 -4,-1.6 -1,-0.2 -48,-0.3 -2,-0.2 0.411 105.5-123.9 -98.3 2.6 -26.2 21.8 15.8 137 162 A N T <<5 + 0 0 86 -3,-0.7 -3,-0.2 -4,-0.7 47,-0.2 0.898 59.8 171.4 52.6 45.4 -24.6 24.8 14.1 138 163 A G < - 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0 0 23 42,-2.1 2,-0.4 -2,-0.4 -1,-0.1 0.023 63.9 -32.4 -86.2-156.9 -2.3 34.4 -11.1 435 217 B L - 0 0 49 17,-0.1 19,-2.9 -2,-0.1 2,-0.4 -0.521 64.7-169.7 -72.5 122.1 -4.8 33.9 -14.0 436 218 B I B -n 454 0D 9 -2,-0.4 2,-1.7 17,-0.2 5,-0.2 -0.946 29.8-117.9-114.5 134.0 -3.0 32.8 -17.2 437 219 B D + 0 0 60 17,-2.8 2,-0.1 -2,-0.4 19,-0.1 -0.009 61.4 138.8 -71.0 39.3 -4.9 32.8 -20.5 438 220 B T > - 0 0 16 -2,-1.7 4,-2.6 1,-0.1 5,-0.3 -0.488 66.9-112.8 -72.4 151.9 -4.6 29.0 -21.3 439 221 B E H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.902 116.4 55.3 -54.4 -41.5 -7.7 27.4 -22.7 440 222 B T H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.952 112.4 41.1 -57.6 -49.5 -8.2 25.3 -19.5 441 223 B A H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 113.8 51.0 -69.6 -41.2 -8.2 28.4 -17.3 442 224 B M H < S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.2 4,-0.2 0.868 109.2 51.4 -66.6 -34.6 -10.3 30.6 -19.5 443 225 B K H >< S+ 0 0 100 -4,-2.3 3,-0.6 -5,-0.3 -1,-0.2 0.881 111.6 50.2 -65.1 -35.6 -12.9 27.9 -19.8 444 226 B A H 3< S+ 0 0 42 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.892 113.6 41.7 -71.6 -42.3 -12.9 27.7 -16.0 445 227 B V T >< S+ 0 0 25 -4,-2.3 3,-2.1 2,-0.1 -1,-0.2 0.275 82.3 140.5 -88.4 12.5 -13.3 31.5 -15.3 446 228 B S T < S+ 0 0 96 -3,-0.6 3,-0.1 1,-0.3 -3,-0.1 -0.376 76.5 6.3 -63.4 122.7 -15.9 31.9 -18.1 447 229 B G T 3 S+ 0 0 85 1,-0.4 2,-0.3 -2,-0.2 -1,-0.3 0.448 103.0 118.2 83.2 1.3 -18.6 34.3 -17.0 448 230 B I S < S- 0 0 99 -3,-2.1 -1,-0.4 1,-0.0 2,-0.3 -0.711 72.7-112.2 -91.2 147.1 -16.8 35.2 -13.7 449 231 B V + 0 0 100 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.663 56.5 146.4 -75.9 134.4 -15.6 38.8 -13.1 450 232 B H - 0 0 90 -2,-0.3 3,-0.1 3,-0.0 2,-0.1 -0.980 50.9 -91.5-165.3 156.1 -11.8 39.0 -13.2 451 233 B M S S- 0 0 86 -2,-0.3 3,-0.1 1,-0.2 -16,-0.0 -0.355 70.3 -72.2 -63.4 152.3 -8.7 41.1 -14.2 452 234 B Q - 0 0 185 1,-0.1 -1,-0.2 -2,-0.1 -17,-0.1 -0.232 57.1-110.6 -50.7 130.2 -7.3 40.5 -17.7 453 235 B A - 0 0 15 -3,-0.1 -17,-0.2 1,-0.1 -1,-0.1 -0.398 34.0-116.0 -55.8 141.0 -5.7 37.1 -17.9 454 236 B A B -n 436 0D 7 -19,-2.9 -17,-2.8 1,-0.1 2,-0.1 -0.527 39.1 -90.6 -78.3 150.3 -1.9 37.3 -18.3 455 237 B P > - 0 0 50 0, 0.0 4,-2.0 0, 0.0 5,-0.1 -0.385 25.1-141.8 -70.9 137.0 -0.4 36.0 -21.5 456 238 B K H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.762 98.0 55.8 -67.9 -26.3 0.6 32.4 -21.4 457 239 B E H > S+ 0 0 37 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.906 109.9 43.4 -75.2 -43.2 3.8 32.9 -23.5 458 240 B E H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.882 112.5 56.0 -67.7 -39.9 5.3 35.6 -21.2 459 241 B C H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.968 106.1 49.7 -52.5 -58.1 4.3 33.4 -18.2 460 242 B A H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.870 111.6 49.4 -48.0 -45.4 6.3 30.5 -19.5 461 243 B L H X S+ 0 0 44 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.909 108.4 50.4 -67.4 -44.7 9.3 32.7 -20.1 462 244 B E H X S+ 0 0 72 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.881 109.3 53.8 -63.4 -34.1 9.3 34.3 -16.6 463 245 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.916 109.8 46.8 -60.2 -45.3 9.1 30.7 -15.2 464 246 B I H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.912 112.6 49.4 -67.6 -44.8 12.2 29.7 -17.2 465 247 B K H X S+ 0 0 54 -4,-2.7 4,-2.6 2,-0.2 6,-0.2 0.902 109.1 52.1 -55.6 -50.2 14.2 32.8 -16.2 466 248 B G H <>S+ 0 0 1 -4,-2.4 5,-2.5 -5,-0.2 -2,-0.2 0.942 114.8 41.7 -55.2 -49.1 13.3 32.3 -12.5 467 249 B G H ><5S+ 0 0 0 -4,-2.1 3,-1.6 3,-0.2 -2,-0.2 0.930 113.3 52.4 -62.9 -46.7 14.5 28.7 -12.5 468 250 B A H 3<5S+ 0 0 25 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.887 112.2 46.5 -58.8 -37.9 17.6 29.6 -14.7 469 251 B L T 3<5S- 0 0 75 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.384 112.3-121.5 -83.6 1.1 18.5 32.3 -12.1 470 252 B R T < 5 + 0 0 106 -3,-1.6 -3,-0.2 1,-0.2 -42,-0.2 0.764 48.7 171.6 65.7 30.0 17.9 29.9 -9.2 471 253 B Q < - 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