==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-OCT-94 1HDC . COMPND 2 MOLECULE: 3-ALPHA, 20 BETA-HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES EXFOLIATUS; . AUTHOR D.GHOSH . 1012 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 818 80.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 13.7 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 . 95 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 353 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.9 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 4 4 1 0 0 2 1 6 6 0 1 3 1 2 0 0 0 4 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 9 7 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 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 2 A N 0 0 121 0, 0.0 2,-0.5 0, 0.0 982,-0.1 0.000 360.0 360.0 360.0 175.8 -28.2 -0.9 -8.0 2 3 A D - 0 0 10 223,-0.1 2,-0.5 981,-0.0 220,-0.1 -0.938 360.0-169.5-118.8 122.3 -26.8 2.6 -8.7 3 4 A L - 0 0 116 -2,-0.5 222,-0.8 218,-0.1 2,-0.4 -0.921 7.8-177.1-110.6 122.9 -28.8 5.6 -9.6 4 5 A S + 0 0 0 24,-1.5 2,-1.7 -2,-0.5 220,-0.1 -0.572 15.8 161.5-113.9 62.1 -27.1 8.8 -10.8 5 6 A G + 0 0 52 -2,-0.4 25,-0.2 25,-0.1 2,-0.2 -0.268 54.2 80.3 -79.6 52.3 -30.1 11.1 -11.1 6 7 A K S S- 0 0 29 -2,-1.7 25,-2.4 73,-0.0 2,-0.5 -0.710 85.1 -67.9-141.2-171.2 -27.7 14.1 -11.0 7 8 A T E +a 31 0A 4 23,-0.2 74,-2.9 -2,-0.2 75,-2.2 -0.782 43.6 175.5 -99.2 122.5 -25.2 16.4 -13.0 8 9 A V E -ab 32 82A 2 23,-2.7 25,-2.1 -2,-0.5 2,-0.4 -0.932 21.5-157.1-135.7 124.7 -21.8 15.3 -14.3 9 10 A I E -ab 33 83A 1 73,-2.0 75,-1.9 -2,-0.4 2,-0.5 -0.744 17.2-158.1 -91.7 134.9 -19.0 16.7 -16.4 10 11 A I E > -ab 34 84A 2 23,-2.8 25,-2.4 -2,-0.4 3,-0.9 -0.972 6.7-145.2-118.6 120.4 -16.8 14.1 -18.1 11 12 A T E 3 S+a 35 0A 2 73,-2.4 75,-0.4 -2,-0.5 25,-0.2 -0.588 85.3 10.3 -82.1 137.9 -13.3 15.0 -19.1 12 13 A G T > S+ 0 0 13 23,-1.2 3,-0.9 -2,-0.2 2,-0.4 0.587 85.9 150.0 68.3 18.5 -12.0 13.4 -22.3 13 14 A G T < + 0 0 0 22,-1.2 23,-0.1 -3,-0.9 -1,-0.1 0.141 38.2 84.4 -74.7 21.1 -15.5 12.1 -23.0 14 15 A A T 3 S+ 0 0 4 -2,-0.4 2,-0.3 21,-0.1 -1,-0.2 0.594 99.2 11.9 -97.2 -9.7 -15.7 11.9 -26.9 15 16 A R S X> S+ 0 0 119 -3,-0.9 4,-1.1 30,-0.0 3,-1.1 -0.956 107.8 0.6-155.6 164.3 -14.1 8.4 -27.4 16 17 A G H >> S- 0 0 22 -2,-0.3 4,-2.3 1,-0.2 3,-0.7 0.066 121.2 -5.1 51.7-157.0 -13.0 5.4 -25.4 17 18 A L H 3> S+ 0 0 29 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.657 135.8 55.5 -38.4 -27.5 -13.4 5.0 -21.6 18 19 A G H <> S+ 0 0 0 -3,-1.1 4,-1.3 -6,-0.3 -5,-0.3 0.966 110.0 40.8 -74.1 -55.9 -14.7 8.6 -21.5 19 20 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 3,-0.5 0.994 111.1 34.2 -67.1 -69.4 -20.8 9.1 -20.9 23 24 A R H 3X S+ 0 0 102 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.873 118.4 53.2 -53.3 -44.5 -23.4 6.9 -22.4 24 25 A Q H 3X S+ 0 0 62 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.851 109.7 46.9 -62.2 -39.7 -23.6 4.5 -19.4 25 26 A A H <<>S+ 0 0 1 -4,-1.3 5,-2.2 -3,-0.5 -1,-0.2 0.844 107.2 56.0 -72.3 -35.2 -24.2 7.2 -16.9 26 27 A V H ><5S+ 0 0 29 -4,-1.9 3,-2.6 1,-0.2 -2,-0.2 0.954 107.1 51.3 -60.1 -45.5 -26.9 8.9 -19.0 27 28 A A H 3<5S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.901 103.5 59.1 -55.9 -40.9 -28.6 5.5 -18.9 28 29 A A T 3<5S- 0 0 15 -4,-1.5 -24,-1.5 -5,-0.2 -1,-0.3 0.531 130.1 -97.7 -67.3 -4.8 -28.1 5.7 -15.2 29 30 A G T < 5S+ 0 0 38 -3,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.551 78.5 134.3 100.9 8.1 -30.2 8.9 -15.2 30 31 A A < - 0 0 3 -5,-2.2 2,-0.6 -25,-0.2 -1,-0.3 -0.411 55.9-124.7 -88.2 166.9 -27.5 11.6 -15.1 31 32 A R E -a 7 0A 102 -25,-2.4 -23,-2.7 -2,-0.1 2,-0.4 -0.967 36.3-156.1-112.5 111.1 -27.1 14.8 -17.2 32 33 A V E -ac 8 53A 0 20,-2.1 22,-1.8 -2,-0.6 2,-0.6 -0.793 20.5-162.2-102.5 135.7 -23.7 14.6 -18.9 33 34 A V E -ac 9 54A 0 -25,-2.1 -23,-2.8 -2,-0.4 2,-1.2 -0.933 17.1-149.8-111.6 107.7 -21.3 17.3 -20.3 34 35 A L E -ac 10 55A 0 20,-3.4 22,-1.9 -2,-0.6 2,-0.6 -0.710 17.0-173.8 -82.2 97.3 -18.8 15.8 -22.7 35 36 A A E +ac 11 56A 0 -25,-2.4 -23,-1.2 -2,-1.2 -22,-1.2 -0.859 25.0 134.0 -92.8 121.8 -15.8 18.0 -22.2 36 37 A D E - c 0 57A 18 20,-1.3 22,-1.8 -2,-0.6 23,-0.1 -0.985 61.4-120.2-161.6 165.4 -13.1 17.1 -24.8 37 38 A V S S+ 0 0 72 -2,-0.3 2,-1.0 20,-0.2 20,-0.1 0.581 91.0 83.6 -88.9 -10.8 -10.6 18.3 -27.3 38 39 A L > - 0 0 52 1,-0.2 4,-2.5 20,-0.1 5,-0.3 -0.779 55.1-179.5 -95.2 98.1 -12.0 16.4 -30.4 39 40 A D H > S+ 0 0 79 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.915 78.1 50.2 -61.9 -47.9 -14.9 18.7 -31.6 40 41 A E H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.920 118.0 37.7 -56.3 -52.1 -16.0 16.5 -34.5 41 42 A E H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.962 115.1 51.3 -69.6 -53.1 -16.2 13.3 -32.4 42 43 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.838 110.0 53.8 -53.7 -32.6 -17.6 14.9 -29.2 43 44 A A H X S+ 0 0 28 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.943 110.8 43.6 -65.5 -53.4 -20.3 16.5 -31.4 44 45 A A H X S+ 0 0 42 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.987 115.9 49.2 -54.7 -58.0 -21.4 13.2 -32.9 45 46 A T H < S+ 0 0 14 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.832 114.5 42.6 -50.0 -48.7 -21.3 11.4 -29.5 46 47 A A H >< S+ 0 0 10 -4,-2.3 3,-2.0 -5,-0.3 4,-0.4 0.924 107.5 62.5 -67.7 -41.4 -23.3 14.1 -27.7 47 48 A R H >< S+ 0 0 192 -4,-2.7 3,-1.0 1,-0.3 -2,-0.2 0.909 105.7 46.5 -48.2 -47.7 -25.7 14.3 -30.6 48 49 A E T 3< S+ 0 0 130 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.556 100.0 68.7 -77.1 -6.5 -26.6 10.6 -30.0 49 50 A L T X S- 0 0 26 -3,-2.0 3,-0.5 -4,-0.4 -1,-0.2 0.432 95.8-134.1 -94.5 5.1 -27.0 11.0 -26.2 50 51 A G G X - 0 0 42 -3,-1.0 3,-3.4 -4,-0.4 2,-0.8 -0.011 53.4 -34.8 74.0-179.9 -30.2 13.1 -26.3 51 52 A D G 3 S+ 0 0 133 1,-0.3 -1,-0.2 -20,-0.0 3,-0.1 0.232 132.1 71.0 -61.1 18.1 -31.1 16.3 -24.4 52 53 A A G < S+ 0 0 24 -2,-0.8 -20,-2.1 -3,-0.5 2,-0.4 0.504 92.9 64.9-107.0 -14.6 -29.1 14.6 -21.5 53 54 A A E < +c 32 0A 9 -3,-3.4 2,-0.3 -7,-0.2 -20,-0.2 -0.906 56.7 176.3-116.0 140.7 -25.9 15.1 -23.3 54 55 A R E -c 33 0A 40 -22,-1.8 -20,-3.4 -2,-0.4 2,-0.4 -0.944 18.1-143.8-134.3 152.0 -24.0 18.3 -24.2 55 56 A Y E +c 34 0A 39 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.944 20.1 172.4-118.7 144.4 -20.6 18.8 -25.8 56 57 A Q E -c 35 0A 44 -22,-1.9 -20,-1.3 -2,-0.4 2,-0.2 -0.947 35.7-115.0-151.5 125.0 -18.2 21.6 -24.9 57 58 A H E -c 36 0A 66 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.470 40.7-178.0 -64.8 129.8 -14.6 22.0 -26.1 58 59 A L - 0 0 8 -22,-1.8 2,-0.8 -2,-0.2 -46,-0.2 -0.975 28.5-165.2-143.1 126.0 -12.2 21.6 -23.2 59 60 A D > - 0 0 57 -2,-0.4 3,-2.9 3,-0.2 7,-0.2 -0.901 20.6-151.0-105.2 98.0 -8.4 21.8 -22.9 60 61 A V T 3 S+ 0 0 10 -2,-0.8 57,-0.3 1,-0.3 56,-0.2 0.577 91.9 54.7 -43.0 -22.6 -7.8 20.3 -19.5 61 62 A T T 3 S+ 0 0 26 55,-0.1 2,-0.6 1,-0.1 -1,-0.3 0.361 90.9 85.0 -97.2 1.6 -4.6 22.4 -18.9 62 63 A I <> - 0 0 56 -3,-2.9 4,-1.5 1,-0.1 -3,-0.2 -0.923 59.7-163.9-109.3 113.1 -6.3 25.8 -19.5 63 64 A E H > S+ 0 0 43 -2,-0.6 4,-2.0 1,-0.2 5,-0.1 0.770 89.9 58.6 -67.7 -26.7 -8.1 27.2 -16.4 64 65 A E H > S+ 0 0 136 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.974 105.2 51.9 -61.4 -52.1 -10.1 29.7 -18.5 65 66 A D H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.845 107.7 52.5 -47.6 -48.4 -11.6 26.7 -20.3 66 67 A W H X S+ 0 0 1 -4,-1.5 4,-3.1 1,-0.2 5,-0.3 0.912 105.5 52.1 -57.6 -51.2 -12.5 25.0 -17.0 67 68 A Q H X S+ 0 0 95 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.712 110.4 51.5 -63.1 -21.2 -14.4 28.0 -15.6 68 69 A R H X S+ 0 0 98 -4,-1.2 4,-3.4 -3,-0.4 5,-0.3 0.974 112.1 41.9 -77.2 -63.1 -16.4 28.1 -18.8 69 70 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.3 -2,-0.2 0.885 118.1 48.8 -52.8 -40.3 -17.4 24.4 -18.8 70 71 A V H X S+ 0 0 8 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.3 0.925 114.6 44.3 -66.2 -42.7 -18.1 24.6 -15.1 71 72 A A H X S+ 0 0 54 -4,-1.3 4,-2.8 -5,-0.3 -2,-0.2 0.911 113.6 49.9 -68.2 -42.3 -20.2 27.7 -15.4 72 73 A Y H X>S+ 0 0 51 -4,-3.4 4,-1.5 2,-0.2 5,-0.6 0.938 109.6 52.4 -61.5 -48.0 -22.1 26.4 -18.4 73 74 A A H X>S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.3 5,-0.8 0.967 114.1 42.3 -52.3 -55.0 -22.8 23.2 -16.6 74 75 A R H X5S+ 0 0 83 -4,-2.3 4,-0.8 3,-0.2 -1,-0.2 0.861 121.1 42.0 -62.8 -37.2 -24.2 25.1 -13.6 75 76 A E H <5S+ 0 0 142 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.951 121.8 37.3 -69.7 -75.8 -26.1 27.6 -15.8 76 77 A E H <5S+ 0 0 76 -4,-1.5 -3,-0.2 1,-0.2 -2,-0.2 0.769 133.1 25.0 -43.9 -44.5 -27.4 25.2 -18.4 77 78 A F H <> - 0 0 91 -2,-0.3 3,-3.3 1,-0.1 4,-0.6 -0.483 45.2-122.4 -66.0 124.0 12.3 3.6 -21.0 95 96 A L G >4 S+ 0 0 1 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.802 110.1 57.8 -32.4 -56.9 12.7 6.7 -18.7 96 97 A E G 34 S+ 0 0 64 1,-0.3 -1,-0.3 530,-0.1 -2,-0.1 0.724 104.8 57.9 -55.0 -15.4 16.2 7.6 -19.8 97 98 A T G <4 S+ 0 0 95 -3,-3.3 -1,-0.3 2,-0.1 -2,-0.2 0.777 84.1 97.4 -86.6 -25.3 14.7 7.8 -23.3 98 99 A E S << S- 0 0 2 -3,-2.0 2,-0.2 -4,-0.6 529,-0.0 -0.405 73.7-125.5 -73.9 131.0 12.0 10.5 -22.5 99 100 A S >> - 0 0 48 -2,-0.2 4,-2.9 1,-0.1 3,-1.0 -0.531 18.4-126.9 -74.5 139.3 12.7 14.1 -23.4 100 101 A V H 3> S+ 0 0 6 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.825 111.7 56.9 -53.1 -30.7 12.2 16.4 -20.3 101 102 A E H 3> S+ 0 0 129 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.775 107.7 44.6 -71.2 -35.6 9.9 18.4 -22.6 102 103 A R H <> S+ 0 0 79 -3,-1.0 4,-2.6 2,-0.2 5,-0.3 0.952 110.9 57.1 -72.1 -48.6 7.7 15.5 -23.3 103 104 A F H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.794 109.2 43.5 -45.0 -47.3 7.8 14.6 -19.6 104 105 A R H X S+ 0 0 74 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.885 111.5 53.8 -70.7 -42.1 6.4 18.0 -18.6 105 106 A K H X S+ 0 0 123 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.946 113.5 42.0 -58.3 -49.0 3.7 18.1 -21.3 106 107 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 3,-0.4 0.983 114.6 48.7 -64.5 -56.4 2.3 14.7 -20.2 107 108 A V H X>S+ 0 0 4 -4,-2.1 5,-1.7 -5,-0.3 4,-1.5 0.744 111.5 56.1 -54.6 -22.5 2.6 15.3 -16.5 108 109 A E H <>S+ 0 0 40 -4,-1.4 5,-2.1 3,-0.2 -1,-0.2 0.924 112.7 36.7 -75.9 -47.0 0.8 18.7 -17.3 109 110 A I H <5S+ 0 0 31 -4,-2.1 -2,-0.2 -3,-0.4 -3,-0.2 0.931 126.1 40.0 -70.6 -45.2 -2.2 17.1 -19.0 110 111 A N H <5S+ 0 0 0 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.898 131.1 15.3 -74.0 -51.7 -2.4 14.2 -16.6 111 112 A L T >X5S+ 0 0 0 -4,-1.5 3,-1.9 -5,-0.3 4,-1.7 0.908 129.7 39.8 -92.7 -62.5 -1.6 15.6 -13.2 112 113 A T H 3> S+ 0 0 6 -3,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.812 106.5 58.9 -92.8 -27.3 -6.9 17.3 -12.9 115 116 A F H X S+ 0 0 0 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.878 105.9 48.2 -61.2 -44.4 -5.8 19.7 -10.3 116 117 A I H X S+ 0 0 1 -4,-1.9 4,-3.7 -56,-0.2 5,-0.2 0.973 110.9 52.5 -62.2 -51.5 -7.5 22.6 -12.2 117 118 A G H X S+ 0 0 0 -4,-1.1 4,-1.7 -57,-0.3 5,-0.2 0.891 115.4 39.7 -50.3 -47.1 -10.6 20.4 -12.6 118 119 A M H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.962 118.4 46.2 -69.3 -48.6 -10.7 19.8 -8.8 119 120 A K H < S+ 0 0 30 -4,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.853 119.5 42.9 -62.3 -36.7 -9.7 23.3 -7.8 120 121 A T H < S+ 0 0 19 -4,-3.7 4,-0.3 -5,-0.3 -2,-0.2 0.982 115.3 43.1 -72.9 -70.7 -12.2 24.7 -10.2 121 122 A V H >X S+ 0 0 0 -4,-1.7 3,-2.1 1,-0.2 4,-1.2 0.648 91.0 87.9 -50.2 -26.9 -15.3 22.5 -9.8 122 123 A I H >X S+ 0 0 0 -4,-2.0 3,-2.3 1,-0.3 4,-2.2 0.911 85.3 51.6 -43.5 -59.1 -15.1 22.5 -6.0 123 124 A P H 3> S+ 0 0 58 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.692 106.1 56.5 -54.1 -20.4 -17.2 25.7 -5.5 124 125 A A H <> S+ 0 0 0 -3,-2.1 4,-1.4 -4,-0.3 -44,-0.6 0.736 111.5 43.1 -79.8 -25.4 -19.9 24.2 -7.7 125 126 A M H S+ 0 0 0 -3,-2.3 5,-2.0 -4,-1.2 4,-1.2 0.870 106.4 56.3 -89.1 -40.7 -20.2 21.1 -5.5 126 127 A K H <5S+ 0 0 83 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.1 0.913 109.7 53.9 -55.9 -35.5 -20.1 22.9 -2.1 127 128 A D H <5S+ 0 0 115 -4,-0.8 -2,-0.2 -5,-0.3 -1,-0.2 0.979 108.1 42.8 -59.8 -66.9 -23.1 24.8 -3.6 128 129 A A H <5S- 0 0 45 -4,-1.4 -1,-0.3 -48,-0.3 -2,-0.2 0.634 125.3-108.5 -56.8 -15.0 -25.2 21.8 -4.5 129 130 A G T <5S- 0 0 34 -4,-1.2 2,-0.3 -5,-0.1 -3,-0.2 0.494 76.3 -17.9 101.5 0.8 -24.0 20.5 -1.1 130 131 A G < + 0 0 11 -5,-2.0 44,-0.3 -6,-0.2 2,-0.3 -0.870 59.0 169.0 153.2 176.8 -21.7 17.8 -2.2 131 132 A G E - 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0 0 0 353,-2.3 2,-0.5 -2,-0.3 -3,-0.1 -0.746 51.7-163.4 -75.3 104.3 -3.1 11.7 1.8 653 146 C L > - 0 0 9 -2,-1.0 3,-1.2 -5,-0.4 4,-0.1 -0.864 17.0-121.9 -95.1 127.7 -1.6 14.5 3.9 654 147 C A T 3 S+ 0 0 1 -2,-0.5 -489,-0.1 353,-0.5 -52,-0.1 -0.373 88.8 13.5 -72.4 144.1 -3.9 17.4 4.4 655 148 C L T 3 S+ 0 0 30 -491,-0.2 -54,-1.5 -55,-0.1 -1,-0.2 0.623 95.9 104.9 68.2 20.9 -2.8 20.9 3.3 656 149 C T X> + 0 0 16 -3,-1.2 4,-2.0 -56,-0.2 3,-1.5 0.392 44.0 156.7-112.5 13.0 0.1 19.5 1.3 657 150 C S H >> S+ 0 0 0 -56,-0.5 3,-2.1 1,-0.3 4,-1.8 0.374 71.9 12.4 0.6-116.4 -1.6 20.0 -2.1 658 151 C S H 3> S+ 0 0 0 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.702 127.8 59.8 -49.1 -28.4 1.1 20.2 -4.9 659 152 C Y H <> S+ 0 0 39 -3,-1.5 4,-1.5 2,-0.2 -1,-0.3 0.773 107.9 45.7 -70.1 -31.9 3.7 19.0 -2.5 660 153 C G H S+ 0 0 0 -5,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.813 106.4 51.7 -73.5 -31.8 4.8 11.0 -7.9 666 159 C V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.898 106.0 55.9 -71.3 -38.2 8.4 10.5 -6.8 667 160 C R H X S+ 0 0 22 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.872 112.5 42.4 -59.8 -39.1 7.4 7.3 -5.0 668 161 C G H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.790 111.5 52.4 -77.7 -31.3 6.0 6.0 -8.3 669 162 C L H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.833 107.5 55.7 -72.7 -32.5 8.9 7.2 -10.5 670 163 C S H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.941 109.6 44.8 -64.0 -46.2 11.3 5.4 -8.1 671 164 C K H X S+ 0 0 19 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.906 112.3 47.6 -68.2 -46.1 9.5 2.1 -8.5 672 165 C L H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -525,-0.3 0.813 115.5 47.7 -68.1 -25.1 9.1 2.0 -12.3 673 166 C A H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.891 103.6 59.5 -78.5 -44.5 12.8 3.0 -12.7 674 167 C A H X S+ 0 0 1 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.903 111.8 42.5 -51.0 -43.4 14.0 0.4 -10.2 675 168 C V H >< S+ 0 0 9 -4,-1.6 3,-0.6 2,-0.2 4,-0.4 0.937 110.9 52.8 -71.5 -44.0 12.5 -2.2 -12.5 676 169 C E H 3< S+ 0 0 22 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.881 122.9 32.3 -60.6 -29.9 13.7 -0.7 -15.8 677 170 C L H ><>S+ 0 0 3 -4,-2.6 3,-1.8 5,-0.2 5,-1.3 0.410 84.7 105.5-108.3 -4.4 17.2 -0.7 -14.4 678 171 C G G X<5S+ 0 0 3 -4,-1.0 3,-2.3 -3,-0.6 -218,-0.2 0.851 79.3 50.8 -47.0 -52.8 17.6 -3.7 -12.0 679 172 C T G 3 5S+ 0 0 103 -220,-0.5 -1,-0.3 -4,-0.4 -219,-0.1 0.542 103.7 65.9 -67.3 -2.5 19.7 -6.1 -14.1 680 173 C D G < 5S- 0 0 50 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.394 114.5-116.8 -95.9 -5.6 22.0 -3.0 -14.5 681 174 C R T < 5S+ 0 0 117 -3,-2.3 2,-0.8 1,-0.2 -42,-0.8 0.551 72.6 133.2 77.5 13.8 22.8 -3.0 -10.8 682 175 C I E < -s 639 0E 0 -5,-1.3 2,-0.3 -44,-0.2 -42,-0.2 -0.813 40.6-158.6-103.8 107.5 21.2 0.4 -10.3 683 176 C R E -s 640 0E 15 -44,-1.9 -42,-3.0 -2,-0.8 2,-0.5 -0.575 7.2-169.2 -87.3 134.8 18.9 0.6 -7.3 684 177 C V E +s 641 0E 0 -2,-0.3 56,-2.1 -44,-0.2 2,-0.3 -0.990 17.2 161.9-120.8 123.1 16.2 3.3 -7.0 685 178 C N E -s 642 0E 1 -44,-2.0 -42,-2.3 -2,-0.5 2,-0.3 -0.995 29.0-135.7-140.0 147.2 14.5 3.7 -3.6 686 179 C S E -st 643 742E 0 55,-1.9 57,-1.9 -2,-0.3 2,-0.4 -0.800 12.1-152.0-104.2 147.1 12.5 6.4 -2.0 687 180 C V E -st 644 743E 0 -44,-2.2 -42,-3.1 -2,-0.3 57,-0.2 -0.903 7.3-152.7-110.6 149.0 12.9 7.6 1.6 688 181 C H E - t 0 744E 0 55,-2.5 57,-1.3 -2,-0.4 -42,-0.2 -0.755 8.3-168.1-130.4 90.8 10.0 9.1 3.5 689 182 C P E - t 0 745E 9 0, 0.0 -42,-2.7 0, 0.0 -41,-0.4 -0.449 4.9-159.7 -79.1 146.2 10.6 11.5 6.3 690 183 C G - 0 0 7 55,-1.8 2,-0.4 -44,-0.2 57,-0.1 -0.403 63.7 -23.7-104.6-173.6 7.8 12.5 8.6 691 184 C M S S- 0 0 35 55,-0.2 27,-2.0 -2,-0.2 2,-0.4 -0.080 79.3-177.3 -36.6 90.2 7.8 15.7 10.8 692 185 C T B -u 718 0F 14 -2,-0.4 2,-1.0 25,-0.2 27,-0.2 -0.824 31.5-112.6-104.0 135.7 11.5 16.3 10.9 693 186 C Y + 0 0 57 25,-3.0 3,-0.1 -2,-0.4 -2,-0.0 -0.559 57.8 140.3 -72.4 100.3 13.2 19.1 12.9 694 187 C T > - 0 0 40 -2,-1.0 4,-1.3 25,-0.1 5,-0.2 -0.670 65.5 -87.2-126.3 176.2 14.7 21.5 10.4 695 188 C P H >> S+ 0 0 59 0, 0.0 4,-2.5 0, 0.0 3,-0.7 0.980 122.4 37.3 -59.1 -61.5 14.7 25.3 10.6 696 189 C M H 34 S+ 0 0 117 1,-0.3 5,-0.2 2,-0.3 6,-0.2 0.894 116.3 52.5 -59.0 -41.9 11.4 26.3 8.9 697 190 C T H >4>S+ 0 0 32 1,-0.2 5,-1.1 2,-0.2 3,-0.6 0.790 113.1 46.4 -60.8 -28.1 9.5 23.3 10.4 698 191 C A H X<5S+ 0 0 23 -4,-1.3 3,-1.9 -3,-0.7 -2,-0.3 0.844 107.9 55.4 -77.5 -34.7 11.0 24.7 13.7 699 192 C E T 3<5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.053 94.5 69.6 -83.1 17.3 9.8 28.0 12.4 700 193 C T T < 5S- 0 0 89 -3,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.319 128.6 -99.6-108.8 -8.3 6.4 26.3 12.2 701 194 C G T < 5 + 0 0 65 -3,-1.9 2,-0.8 1,-0.3 -2,-0.2 0.618 67.4 163.0 94.3 17.9 6.5 26.3 16.0 702 195 C I < - 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