==== 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 12-APR-06 2DKN . COMPND 2 MOLECULE: 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR S.NAKAMURA . 480 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 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 . 28 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 3 2 0 5 0 0 2 4 0 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 6 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 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 2 A S 0 0 68 0, 0.0 25,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 177.4 1.2 -5.7 16.6 2 3 A V E -a 26 0A 38 23,-0.2 61,-2.0 56,-0.1 62,-1.3 -0.938 360.0-180.0-111.6 120.0 1.0 -7.4 13.2 3 4 A I E -ab 27 64A 5 23,-2.8 25,-2.6 -2,-0.5 2,-0.4 -0.987 18.2-148.9-130.1 127.4 3.1 -5.7 10.5 4 5 A A E -ab 28 65A 0 60,-2.4 62,-2.7 -2,-0.4 2,-0.4 -0.785 14.6-169.5 -92.1 138.7 3.6 -6.6 6.8 5 6 A I E > -ab 29 66A 0 23,-2.6 25,-2.5 -2,-0.4 3,-0.7 -0.966 10.2-153.3-132.5 114.5 7.0 -5.8 5.2 6 7 A T E 3 S+ab 30 67A 2 60,-2.8 62,-0.9 -2,-0.4 25,-0.2 -0.662 86.4 29.6 -81.4 146.2 7.6 -6.0 1.5 7 8 A G T > S+ 0 0 9 23,-2.4 3,-1.0 -2,-0.3 6,-0.4 0.753 75.8 147.5 75.9 28.3 11.3 -6.6 0.6 8 9 A S T < + 0 0 1 22,-1.2 23,-0.1 -3,-0.7 9,-0.1 0.538 52.9 72.7 -72.0 -10.9 11.8 -8.6 3.9 9 10 A A T 3 S+ 0 0 25 21,-0.2 2,-0.3 24,-0.1 -1,-0.2 0.591 103.8 18.2 -86.2 -9.1 14.4 -11.0 2.5 10 11 A S S X> S- 0 0 59 -3,-1.0 4,-1.8 177,-0.0 3,-0.7 -0.967 103.2 -13.4-152.4 165.7 17.3 -8.6 2.2 11 12 A G H 3> S+ 0 0 19 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.046 120.0 1.2 46.5-129.7 18.8 -5.2 3.2 12 13 A I H 3> S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.884 134.6 51.2 -61.1 -44.1 16.6 -2.7 5.0 13 14 A G H <> S+ 0 0 0 -3,-0.7 4,-2.5 -6,-0.4 -5,-0.2 0.880 110.8 48.5 -62.9 -40.6 13.5 -4.9 5.0 14 15 A A H X S+ 0 0 26 -4,-1.8 4,-2.1 -7,-0.4 -1,-0.2 0.901 111.7 49.9 -65.0 -41.4 15.5 -7.8 6.5 15 16 A A H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.906 113.1 46.3 -64.7 -41.0 16.9 -5.5 9.1 16 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.894 108.4 54.9 -70.3 -41.0 13.4 -4.2 10.0 17 18 A K H X S+ 0 0 71 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.936 112.6 44.5 -56.2 -45.9 11.9 -7.7 10.1 18 19 A E H X S+ 0 0 87 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.942 112.9 50.6 -65.1 -49.4 14.5 -8.7 12.6 19 20 A L H X S+ 0 0 18 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.937 114.7 42.5 -52.1 -53.4 14.1 -5.5 14.7 20 21 A L H <>S+ 0 0 7 -4,-2.9 5,-2.4 2,-0.2 -1,-0.2 0.864 112.4 53.4 -64.8 -38.3 10.3 -5.8 14.9 21 22 A A H ><5S+ 0 0 50 -4,-2.1 3,-1.7 -5,-0.3 -1,-0.2 0.938 108.7 49.5 -64.0 -45.8 10.3 -9.5 15.6 22 23 A R H 3<5S+ 0 0 165 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 105.7 57.3 -62.8 -30.1 12.8 -9.0 18.5 23 24 A A T 3<5S- 0 0 69 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.410 127.3-100.7 -81.5 -0.1 10.5 -6.3 19.9 24 25 A G T < 5S+ 0 0 63 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.461 76.1 135.3 100.9 3.7 7.7 -8.8 20.0 25 26 A H < - 0 0 61 -5,-2.4 2,-0.6 1,-0.1 -1,-0.3 -0.451 58.1-116.3 -83.6 157.4 5.7 -8.0 16.9 26 27 A T E -a 2 0A 83 -25,-2.8 -23,-2.8 -2,-0.1 2,-0.5 -0.847 34.0-159.6 -91.5 120.3 4.3 -10.4 14.4 27 28 A V E -a 3 0A 23 -2,-0.6 2,-0.6 -25,-0.2 -23,-0.2 -0.885 11.9-162.0-107.8 129.3 6.0 -9.8 11.0 28 29 A I E -a 4 0A 8 -25,-2.6 -23,-2.6 -2,-0.5 2,-0.3 -0.943 18.8-155.3-106.7 110.3 4.5 -10.9 7.7 29 30 A G E -a 5 0A 1 -2,-0.6 8,-2.3 -25,-0.2 2,-0.4 -0.704 11.9-172.3 -93.5 138.2 7.3 -10.9 5.1 30 31 A I E +ac 6 37A 0 -25,-2.5 -23,-2.4 -2,-0.3 -22,-1.2 -0.997 25.1 131.2-125.9 127.2 6.7 -10.5 1.3 31 32 A D E - c 0 38A 25 6,-2.2 8,-2.3 -2,-0.4 4,-0.1 -0.934 69.8 -87.3-157.7 179.3 9.6 -10.9 -1.2 32 33 A R S S- 0 0 205 -2,-0.3 2,-0.3 6,-0.2 3,-0.1 0.828 107.1 -22.7 -62.9 -33.5 10.4 -12.7 -4.5 33 34 A G S S+ 0 0 21 1,-0.1 -1,-0.2 5,-0.1 -24,-0.1 -0.936 116.9 54.5-163.1 175.7 11.6 -15.6 -2.4 34 35 A Q S S+ 0 0 168 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.920 89.7 100.9 53.4 49.3 12.8 -16.5 1.1 35 36 A A S S- 0 0 20 -4,-0.1 -1,-0.2 1,-0.1 -5,-0.1 -0.967 88.6-102.9-152.8 162.7 9.7 -14.9 2.7 36 37 A D S S+ 0 0 87 -2,-0.3 2,-0.5 1,-0.2 -6,-0.2 0.887 117.5 33.0 -51.9 -43.9 6.4 -15.9 4.3 37 38 A I E S-c 30 0A 6 -8,-2.3 -6,-2.2 -4,-0.1 2,-0.6 -0.980 76.7-158.4-123.1 119.9 4.8 -14.7 1.1 38 39 A E E +c 31 0A 119 -2,-0.5 2,-0.3 -8,-0.2 -6,-0.2 -0.895 32.2 143.9-104.2 116.5 6.6 -15.2 -2.2 39 40 A A - 0 0 11 -8,-2.3 2,-0.9 -2,-0.6 -6,-0.1 -0.991 51.4-123.4-155.4 146.3 5.3 -12.8 -4.9 40 41 A D > - 0 0 75 -2,-0.3 3,-1.3 1,-0.1 6,-0.3 -0.816 21.9-169.4 -95.1 101.0 6.6 -10.7 -7.8 41 42 A L T 3 S+ 0 0 9 -2,-0.9 50,-0.1 1,-0.3 -1,-0.1 0.391 72.7 81.0 -76.2 5.0 5.5 -7.2 -7.0 42 43 A S T 3 S+ 0 0 18 46,-0.1 -1,-0.3 45,-0.1 42,-0.1 0.405 90.6 54.1 -89.7 -0.6 6.4 -6.0 -10.5 43 44 A T S <> S- 0 0 57 -3,-1.3 4,-2.5 1,-0.1 5,-0.2 -0.971 83.6-121.7-130.7 153.7 3.2 -7.2 -12.1 44 45 A P H > S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.895 115.4 53.8 -55.7 -39.2 -0.5 -6.7 -11.3 45 46 A G H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.906 108.5 46.5 -61.1 -46.6 -0.8 -10.5 -10.8 46 47 A G H > S+ 0 0 10 -6,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.894 112.2 51.1 -63.0 -40.9 2.0 -10.7 -8.3 47 48 A R H X S+ 0 0 11 -4,-2.5 4,-2.9 -7,-0.3 -2,-0.2 0.922 108.2 52.4 -62.5 -41.1 0.6 -7.8 -6.4 48 49 A E H X S+ 0 0 147 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.914 110.3 48.4 -59.7 -46.3 -2.8 -9.4 -6.3 49 50 A T H X S+ 0 0 81 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.939 111.9 49.4 -57.6 -51.1 -1.3 -12.6 -4.9 50 51 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.920 111.8 47.7 -55.7 -50.1 0.7 -10.6 -2.2 51 52 A V H X S+ 0 0 19 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.949 113.8 46.4 -59.1 -50.9 -2.4 -8.6 -1.1 52 53 A A H X S+ 0 0 63 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.908 114.1 49.4 -58.8 -42.6 -4.6 -11.7 -0.8 53 54 A A H X S+ 0 0 18 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.890 110.6 48.9 -66.0 -41.9 -1.9 -13.6 1.0 54 55 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 6,-0.3 0.951 110.8 51.1 -61.1 -48.5 -1.3 -10.8 3.5 55 56 A L H X>S+ 0 0 57 -4,-2.8 5,-2.0 1,-0.2 4,-0.8 0.905 110.9 48.8 -56.1 -43.3 -5.1 -10.5 4.2 56 57 A D H ><5S+ 0 0 126 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.945 112.0 48.6 -61.3 -47.3 -5.2 -14.2 4.9 57 58 A R H 3<5S+ 0 0 136 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.805 119.3 36.9 -67.0 -30.0 -2.2 -14.2 7.2 58 59 A C H ><5S- 0 0 20 -4,-2.1 3,-1.1 -5,-0.1 -1,-0.2 0.377 108.0-116.9-103.5 4.4 -3.5 -11.2 9.3 59 60 A G T <<5S- 0 0 64 -3,-0.8 -3,-0.2 -4,-0.8 -4,-0.1 0.814 70.4 -61.9 63.0 31.0 -7.2 -12.1 9.2 60 61 A G T 3 - 0 0 5 -2,-0.3 3,-2.1 117,-0.0 9,-0.1 -0.231 48.5 -58.1-111.7-159.6 18.0 0.2 -8.2 73 74 A V T 3 S+ 0 0 19 1,-0.3 75,-0.2 -2,-0.1 76,-0.1 0.627 125.5 62.7 -64.2 -15.1 20.0 1.3 -11.3 74 75 A T T 3 S+ 0 0 68 115,-0.1 -1,-0.3 74,-0.1 75,-0.0 0.284 77.0 126.2 -90.4 10.1 21.1 -2.3 -12.0 75 76 A A S < S- 0 0 18 -3,-2.1 73,-0.1 1,-0.1 3,-0.1 -0.237 79.4 -99.0 -60.2 161.3 17.5 -3.5 -12.6 76 77 A A S S- 0 0 84 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.844 92.4 -26.1 -51.1 -45.7 16.7 -5.3 -15.9 77 78 A N > - 0 0 69 1,-0.1 4,-1.4 71,-0.1 3,-0.3 -0.969 66.4 -92.7-162.9 171.0 15.2 -2.2 -17.5 78 79 A S H > S+ 0 0 6 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.834 119.5 59.6 -62.4 -35.1 13.5 1.2 -16.7 79 80 A G H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 103.9 50.4 -60.8 -39.3 10.1 -0.4 -17.0 80 81 A L H > S+ 0 0 47 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.904 105.8 56.2 -67.8 -40.5 10.8 -2.8 -14.2 81 82 A V H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 5,-0.4 0.932 111.9 42.7 -55.2 -48.8 12.0 0.0 -11.9 82 83 A V H X>S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 5,-1.6 0.916 111.8 54.3 -65.4 -42.9 8.7 1.8 -12.3 83 84 A A H <>S+ 0 0 3 -4,-2.4 5,-1.1 3,-0.2 -1,-0.2 0.890 121.3 29.0 -61.1 -41.4 6.6 -1.4 -12.0 84 85 A V H <5S+ 0 0 15 -4,-2.4 4,-0.4 3,-0.2 5,-0.3 0.939 122.8 45.3 -84.9 -52.9 8.2 -2.3 -8.6 85 86 A N H <5S+ 0 0 0 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.790 131.3 18.1 -69.1 -31.4 9.2 1.0 -7.1 86 87 A Y T >X5S+ 0 0 6 -4,-1.8 4,-3.0 -5,-0.4 3,-0.8 0.834 133.5 33.2 -98.6 -63.1 6.0 2.8 -7.8 87 88 A F H 3> S+ 0 0 4 -3,-0.8 4,-2.6 -5,-0.3 3,-0.4 0.887 116.7 47.2 -84.6 -54.6 4.0 0.1 -3.5 90 91 A S H X S+ 0 0 11 -4,-3.0 4,-2.9 1,-0.3 5,-0.2 0.887 111.1 50.7 -62.9 -39.0 0.8 1.8 -4.6 91 92 A A H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -1,-0.3 0.841 111.1 49.0 -69.4 -31.4 -1.1 -1.5 -5.3 92 93 A L H > S+ 0 0 0 -3,-0.4 4,-1.9 -4,-0.3 -2,-0.2 0.902 112.4 47.7 -73.5 -41.2 -0.2 -2.8 -1.8 93 94 A L H X S+ 0 0 6 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.954 114.9 47.0 -57.7 -49.1 -1.3 0.4 -0.2 94 95 A D H < S+ 0 0 120 -4,-2.9 3,-0.4 1,-0.2 4,-0.4 0.909 116.3 44.1 -56.9 -51.7 -4.5 0.3 -2.2 95 96 A G H < S+ 0 0 32 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.759 120.2 38.4 -70.8 -26.5 -5.2 -3.4 -1.4 96 97 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.1 5,-0.2 0.387 84.7 99.5-108.3 1.9 -4.4 -3.2 2.3 97 98 A A H X S+ 0 0 6 -4,-1.1 4,-2.3 -3,-0.4 -1,-0.1 0.897 86.1 47.8 -54.6 -43.8 -5.9 0.2 3.1 98 99 A E H > S+ 0 0 119 -4,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.938 111.2 49.3 -67.8 -45.3 -9.1 -1.4 4.5 99 100 A A H >4 S+ 0 0 1 -4,-0.3 -37,-2.0 1,-0.2 3,-0.6 0.899 112.1 49.4 -57.5 -43.7 -7.1 -3.9 6.6 100 101 A L H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.894 104.4 58.5 -61.5 -41.4 -5.0 -1.1 8.0 101 102 A S H 3< S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.755 105.8 51.5 -60.4 -23.2 -8.1 0.9 8.8 102 103 A R T << S+ 0 0 138 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.525 95.9 92.0 -91.8 -9.6 -9.2 -2.0 11.0 103 104 A G S < S- 0 0 9 -3,-1.5 2,-0.6 -41,-0.5 -40,-0.2 -0.074 85.2 -93.1 -79.0-176.5 -5.9 -2.2 13.0 104 105 A Q S S- 0 0 148 1,-0.2 3,-0.1 3,-0.0 -1,-0.1 -0.888 99.2 -20.2-106.4 119.9 -4.9 -0.6 16.2 105 106 A Q S S- 0 0 140 -2,-0.6 -1,-0.2 1,-0.1 70,-0.1 0.938 95.8-162.6 48.3 51.2 -3.0 2.7 16.0 106 107 A P + 0 0 10 0, 0.0 70,-1.8 0, 0.0 2,-0.3 -0.282 18.2 170.2 -74.5 152.6 -2.3 1.6 12.4 107 108 A A E -de 64 176A 0 -44,-1.6 -42,-1.3 68,-0.2 2,-0.3 -0.990 17.4-154.6-156.5 153.6 0.5 3.2 10.3 108 109 A A E -de 65 177A 0 68,-2.4 70,-1.9 -2,-0.3 2,-0.4 -0.947 4.4-160.8-132.6 150.5 2.3 2.6 7.0 109 110 A V E -de 66 178A 0 -44,-2.5 -42,-2.5 -2,-0.3 2,-0.5 -0.999 4.8-156.2-133.7 132.6 5.8 3.6 5.8 110 111 A I E -de 67 179A 0 68,-2.3 70,-2.6 -2,-0.4 2,-1.0 -0.905 18.3-135.9-100.0 133.7 7.1 3.8 2.2 111 112 A V E + e 0 180A 9 -44,-2.4 70,-0.2 -2,-0.5 68,-0.1 -0.824 38.2 165.7 -88.8 104.7 10.8 3.5 1.7 112 113 A G - 0 0 3 68,-3.0 2,-0.3 -2,-1.0 69,-0.1 0.444 25.2-121.3 -86.7-132.6 11.6 6.3 -0.8 113 114 A S > - 0 0 9 43,-0.2 3,-1.9 68,-0.1 70,-0.2 -0.889 21.2-116.6-177.0 146.6 15.1 7.6 -1.6 114 115 A I G > S+ 0 0 33 68,-2.2 3,-2.3 1,-0.3 4,-0.1 0.738 109.9 79.1 -60.6 -20.4 17.2 10.8 -1.7 115 116 A A G > S+ 0 0 21 67,-0.3 3,-1.9 1,-0.3 -1,-0.3 0.778 75.3 74.9 -59.6 -24.0 17.1 10.1 -5.4 116 117 A A G < S+ 0 0 4 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.721 90.9 55.6 -56.3 -23.3 13.6 11.6 -5.3 117 118 A T G < S+ 0 0 29 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.363 75.1 133.0 -96.2 2.4 15.3 15.0 -5.0 118 119 A Q S X S- 0 0 59 -3,-1.9 3,-2.1 -4,-0.1 4,-0.4 -0.270 71.2 -96.3 -52.7 133.7 17.4 14.7 -8.2 119 120 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.307 108.3 14.2 -57.8 135.7 17.1 17.9 -10.2 120 121 A G T > S+ 0 0 35 -3,-0.1 3,-0.9 1,-0.0 4,-0.4 0.300 89.3 117.0 85.9 -8.5 14.5 17.6 -13.0 121 122 A A G X S+ 0 0 1 -3,-2.1 3,-1.2 1,-0.3 6,-0.2 0.882 71.0 58.2 -58.9 -37.7 12.9 14.4 -11.5 122 123 A A G 3 S+ 0 0 37 -4,-0.4 -1,-0.3 1,-0.3 6,-0.1 0.803 106.0 49.1 -64.8 -28.5 9.6 16.2 -10.9 123 124 A E G < S+ 0 0 136 -3,-0.9 -1,-0.3 4,-0.1 -2,-0.2 0.411 77.1 121.8 -97.2 3.7 9.3 17.1 -14.6 124 125 A L X> - 0 0 17 -3,-1.2 3,-1.4 -4,-0.4 4,-0.8 -0.468 65.8-133.0 -62.1 128.7 10.0 13.6 -16.0 125 126 A P H >> S+ 0 0 63 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.870 103.5 64.0 -52.8 -37.6 6.9 12.6 -18.1 126 127 A M H 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 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0.893 112.0 51.2 -67.0 -41.4 1.9 4.5 -20.0 138 139 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -9,-0.2 -2,-0.2 0.916 111.6 47.7 -62.7 -43.6 4.5 5.0 -17.2 139 140 A I H X S+ 0 0 55 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.922 112.3 49.4 -64.3 -43.6 6.4 1.9 -18.3 140 141 A E H X S+ 0 0 95 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.950 113.6 45.8 -59.6 -49.5 6.4 3.0 -21.9 141 142 A L H X S+ 0 0 18 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.882 111.4 52.7 -60.5 -41.0 7.6 6.5 -21.0 142 143 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 5,-0.3 0.927 110.6 47.5 -60.6 -45.8 10.3 5.0 -18.6 143 144 A E H < S+ 0 0 88 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.925 113.3 47.8 -61.6 -45.3 11.5 2.8 -21.5 144 145 A Q H < S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.800 102.8 61.6 -64.9 -32.3 11.6 5.8 -23.9 145 146 A Q H < S- 0 0 73 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.868 98.1-153.2 -65.7 -31.0 13.4 8.0 -21.3 146 147 A G < + 0 0 51 -4,-1.3 2,-0.4 -3,-0.3 -3,-0.1 0.332 52.1 86.5 87.0 -5.3 16.1 5.4 -21.7 147 148 A Q >> - 0 0 73 -5,-0.3 4,-1.6 1,-0.1 3,-1.3 -0.982 61.6-143.1-138.5 128.8 18.1 5.3 -18.4 148 149 A T H 3> S+ 0 0 23 -2,-0.4 4,-2.6 1,-0.3 5,-0.1 0.818 100.9 61.1 -59.8 -32.6 17.5 3.3 -15.3 149 150 A H H 3> S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.816 105.1 48.7 -63.6 -29.9 18.7 6.2 -13.0 150 151 A L H <> S+ 0 0 23 -3,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.859 111.6 48.7 -76.3 -38.0 15.9 8.4 -14.4 151 152 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.856 112.2 50.9 -66.1 -36.3 13.4 5.7 -13.8 152 153 A Y H X S+ 0 0 40 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.967 115.5 39.2 -63.7 -53.8 14.8 5.3 -10.3 153 154 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.913 118.0 50.7 -61.1 -42.7 14.6 9.0 -9.4 154 155 A G H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.926 112.4 45.1 -63.0 -45.1 11.3 9.3 -11.2 155 156 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.895 115.2 47.2 -69.8 -37.2 9.7 6.4 -9.4 156 157 A K H X S+ 0 0 11 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.907 113.8 48.3 -72.3 -39.4 11.0 7.5 -6.0 157 158 A Y H X S+ 0 0 21 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.966 114.1 46.7 -58.4 -54.7 9.8 11.0 -6.6 158 159 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.895 111.5 48.9 -57.5 -45.9 6.4 9.9 -7.7 159 160 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.838 111.1 51.5 -70.2 -30.1 5.8 7.4 -4.9 160 161 A T H X S+ 0 0 1 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.940 111.3 47.3 -67.4 -45.7 6.9 10.1 -2.4 161 162 A C H X S+ 0 0 2 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.851 107.4 58.3 -57.2 -41.5 4.4 12.6 -3.9 162 163 A L H X S+ 0 0 10 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.934 104.3 49.9 -55.9 -49.4 1.8 9.8 -3.8 163 164 A A H < S+ 0 0 1 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.919 116.6 41.8 -56.7 -44.9 2.1 9.5 -0.0 164 165 A R H >< S+ 0 0 5 -4,-1.7 3,-1.3 1,-0.2 4,-0.2 0.888 111.4 54.6 -72.9 -38.9 1.7 13.2 0.4 165 166 A R H 3< S+ 0 0 124 -4,-3.3 3,-0.4 1,-0.3 -1,-0.2 0.862 110.3 46.5 -62.8 -35.9 -1.1 13.6 -2.1 166 167 A N T 3X S+ 0 0 28 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.3 0.152 76.3 118.0 -95.1 17.8 -3.2 11.0 -0.4 167 168 A V H <> S+ 0 0 2 -3,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.866 76.1 46.9 -54.3 -41.6 -2.7 12.4 3.1 168 169 A V H > S+ 0 0 73 -3,-0.4 4,-2.5 -4,-0.2 -1,-0.2 0.935 109.0 52.9 -72.7 -42.5 -6.3 13.2 3.7 169 170 A D H > S+ 0 0 90 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.930 112.5 46.4 -56.7 -45.9 -7.6 9.8 2.5 170 171 A W H <>S+ 0 0 8 -4,-2.3 5,-2.4 1,-0.2 4,-0.5 0.919 111.0 51.1 -64.2 -42.3 -5.2 8.0 4.9 171 172 A A H ><5S+ 0 0 16 -4,-2.2 3,-1.4 -5,-0.2 -1,-0.2 0.904 106.4 56.1 -58.3 -39.0 -6.2 10.3 7.8 172 173 A G H 3<5S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.806 106.5 49.7 -67.6 -28.1 -9.9 9.5 7.0 173 174 A R T 3<5S- 0 0 96 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.463 116.6-116.9 -81.9 -7.6 -9.1 5.8 7.4 174 175 A G T < 5S+ 0 0 50 -3,-1.4 2,-0.5 -4,-0.5 -3,-0.2 0.734 76.3 125.0 78.1 24.1 -7.3 6.6 10.8 175 176 A V < - 0 0 0 -5,-2.4 -1,-0.3 -6,-0.1 -68,-0.2 -0.961 55.0-139.1-121.0 126.8 -4.0 5.4 9.4 176 177 A R E -e 107 0A 19 -70,-1.8 -68,-2.4 -2,-0.5 2,-0.4 -0.567 17.5-166.9 -81.0 150.4 -0.8 7.4 9.3 177 178 A L E +e 108 0A 1 -70,-0.2 59,-2.8 -2,-0.2 2,-0.3 -0.961 14.0 162.1-142.2 122.6 1.4 7.3 6.2 178 179 A N E -e 109 0A 1 -70,-1.9 -68,-2.3 -2,-0.4 2,-0.4 -0.836 27.8-129.8-133.8 166.7 4.9 8.6 6.0 179 180 A V E -ef 110 238A 1 58,-2.8 60,-3.2 -2,-0.3 2,-0.5 -0.970 7.3-154.3-121.4 137.0 8.0 8.2 3.8 180 181 A V E -ef 111 239A 0 -70,-2.6 -68,-3.0 -2,-0.4 60,-0.2 -0.948 10.6-160.7-104.2 132.0 11.6 7.4 4.9 181 182 A A E - f 0 240A 2 58,-2.8 60,-2.3 -2,-0.5 -68,-0.1 -0.846 9.9-164.6-117.4 92.9 14.2 8.6 2.4 182 183 A P E - f 0 241A 9 0, 0.0 -68,-2.2 0, 0.0 -67,-0.3 -0.396 8.9-155.2 -72.9 151.6 17.5 6.9 2.8 183 184 A G - 0 0 13 58,-1.5 60,-0.1 1,-0.3 2,-0.1 -0.044 69.0 -19.9 -93.6-150.5 20.8 8.1 1.4 184 185 A A - 0 0 54 58,-0.2 30,-2.7 -2,-0.1 2,-0.3 -0.328 68.1-173.4 -60.9 131.3 23.4 5.4 0.8 185 186 A V B -g 214 0B 11 28,-0.2 2,-2.5 -3,-0.1 5,-0.4 -0.992 32.2-116.2-138.0 142.8 22.9 2.2 2.8 186 187 A E + 0 0 61 28,-2.3 -175,-0.0 -2,-0.3 -2,-0.0 -0.571 69.9 122.1-103.2 79.4 25.3 -0.7 2.9 187 188 A T S > S- 0 0 20 -2,-2.5 4,-2.5 28,-0.1 5,-0.2 -0.799 81.3 -92.5-110.4-178.2 23.2 -3.3 1.3 188 189 A P H > S+ 0 0 82 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.832 124.6 59.0 -56.7 -29.6 23.4 -5.6 -1.8 189 190 A L H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.941 108.3 42.7 -64.8 -49.8 21.6 -2.9 -3.7 190 191 A L H > S+ 0 0 22 -5,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.905 112.0 54.2 -62.0 -42.2 24.3 -0.3 -3.0 191 192 A Q H X S+ 0 0 76 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.901 107.2 51.7 -60.4 -37.5 27.1 -2.8 -3.6 192 193 A A H X S+ 0 0 38 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.910 111.6 46.5 -64.1 -42.4 25.6 -3.5 -7.0 193 194 A S H >< S+ 0 0 11 -4,-1.8 3,-1.0 1,-0.2 10,-0.3 0.920 108.9 55.2 -64.5 -42.7 25.5 0.2 -7.9 194 195 A K H 3< S+ 0 0 46 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.796 113.6 41.3 -60.7 -32.0 29.1 0.7 -6.6 195 196 A A H 3< S+ 0 0 79 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.462 87.6 116.9 -95.9 -6.3 30.4 -2.0 -8.9 196 197 A D S+ 0 0 15 1,-0.1 4,-2.8 2,-0.1 5,-0.2 0.458 92.7 94.3-104.3 -2.4 26.8 4.1 -12.4 200 201 A G H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.895 89.6 45.2 -58.6 -46.2 29.7 3.1 -10.1 201 202 A E H > S+ 0 0 121 -4,-0.3 4,-1.6 -5,-0.3 -1,-0.2 0.940 114.8 50.1 -62.6 -46.8 31.6 6.4 -10.4 202 203 A S H 4 S+ 0 0 67 -4,-0.3 4,-0.4 1,-0.2 3,-0.2 0.903 113.1 46.7 -53.3 -46.1 28.3 8.3 -9.9 203 204 A T H < S+ 0 0 45 -4,-2.8 -1,-0.2 -10,-0.3 3,-0.2 0.841 119.3 38.8 -68.9 -34.4 27.6 6.1 -6.9 204 205 A R H < S+ 0 0 154 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.556 89.8 96.6 -94.4 -9.1 31.0 6.5 -5.3 205 206 A R S < S+ 0 0 128 -4,-1.6 2,-0.3 -3,-0.2 -1,-0.2 0.820 90.3 16.9 -54.7 -45.4 31.6 10.2 -6.2 206 207 A F - 0 0 133 -4,-0.4 2,-0.3 -3,-0.2 -1,-0.1 -0.995 65.0-149.0-136.1 139.5 30.5 11.9 -2.9 207 208 A V - 0 0 94 -2,-0.3 6,-0.1 1,-0.1 -3,-0.0 -0.700 32.4-100.1-104.4 154.1 30.0 10.6 0.7 208 209 A A > - 0 0 15 -2,-0.3 3,-2.7 4,-0.2 36,-0.2 -0.296 38.8-101.6 -67.6 156.9 27.4 12.0 3.2 209 210 A P T 3 S+ 0 0 26 0, 0.0 35,-0.2 0, 0.0 34,-0.1 0.822 121.1 65.3 -45.7 -37.8 28.6 14.5 5.9 210 211 A L T 3 S- 0 0 43 33,-1.9 34,-0.1 32,-0.2 33,-0.1 0.581 109.3-126.7 -66.1 -10.1 28.6 11.6 8.5 211 212 A G S < 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