==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-MAR-09 2WDZ . COMPND 2 MOLECULE: SHORT-CHAIN DEHYDROGENASE/REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR Y.CARIUS,H.CHRISTIAN,A.FAUST,P.KORNBERGER,G.W.KOHRING, . 1016 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 804 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 156 15.4 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 . 65 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 380 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 0 0 0 0 4 0 8 8 0 4 0 1 3 0 0 0 3 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 12 8 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 1 A M 0 0 147 0, 0.0 2,-0.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 103.5 -5.7 30.8 -1.6 2 2 A D >> + 0 0 76 1,-0.1 3,-1.4 2,-0.0 4,-0.9 -0.803 360.0 177.7-114.0 96.5 -2.5 32.5 -0.2 3 3 A Y T 34 S+ 0 0 12 -2,-0.6 4,-0.3 1,-0.3 -1,-0.1 0.678 77.2 66.8 -69.2 -18.9 0.7 30.6 -1.1 4 4 A R T 34 S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.1 258,-0.1 0.696 118.3 21.5 -78.8 -18.8 2.9 33.1 0.6 5 5 A T T X4 S+ 0 0 69 -3,-1.4 3,-2.1 3,-0.1 -2,-0.2 0.313 90.1 105.5-128.8 9.8 1.6 32.2 4.0 6 6 A V T 3< S+ 0 0 20 -4,-0.9 230,-0.8 1,-0.3 -3,-0.1 0.790 83.9 52.3 -60.2 -30.4 0.2 28.7 3.5 7 7 A F T 3 S+ 0 0 13 -4,-0.3 -1,-0.3 228,-0.2 2,-0.1 0.335 90.7 107.6 -87.0 3.1 3.2 27.2 5.3 8 8 A R < - 0 0 45 -3,-2.1 27,-0.2 1,-0.1 228,-0.1 -0.428 57.9-153.4 -81.7 159.4 2.7 29.6 8.4 9 9 A L > + 0 0 7 25,-3.0 3,-2.4 22,-0.2 28,-0.2 -0.148 29.5 169.9-118.0 37.2 1.4 28.5 11.7 10 10 A D T 3 + 0 0 98 1,-0.3 26,-0.2 26,-0.1 25,-0.1 -0.250 69.3 3.7 -63.5 134.6 -0.1 31.8 12.8 11 11 A G T 3 S+ 0 0 82 24,-0.9 -1,-0.3 1,-0.2 2,-0.2 0.531 101.2 127.9 68.2 9.1 -2.2 31.6 16.0 12 12 A A < - 0 0 18 -3,-2.4 25,-3.3 23,-0.2 2,-0.5 -0.619 49.7-147.1 -91.4 159.4 -1.5 27.9 16.5 13 13 A C E -a 37 0A 5 72,-0.3 74,-2.1 23,-0.2 75,-1.3 -0.982 18.0-166.4-122.8 117.3 -0.2 26.2 19.6 14 14 A A E -ab 38 88A 0 23,-3.3 25,-2.6 -2,-0.5 2,-0.5 -0.872 12.3-150.7-109.7 135.3 2.1 23.3 19.1 15 15 A A E -ab 39 89A 0 73,-2.5 75,-2.8 -2,-0.4 2,-0.4 -0.896 17.0-170.7 -98.1 128.4 3.2 20.7 21.7 16 16 A V E > -ab 40 90A 0 23,-2.4 25,-2.6 -2,-0.5 3,-0.6 -0.986 9.3-157.7-124.3 117.7 6.6 19.2 20.9 17 17 A T E 3 S+ab 41 91A 2 73,-2.8 75,-0.9 -2,-0.4 25,-0.2 -0.692 84.9 31.7 -85.9 151.0 8.1 16.2 22.8 18 18 A G T > S+ 0 0 10 23,-1.5 3,-1.1 -2,-0.3 7,-0.5 0.764 76.5 146.6 69.5 28.3 11.9 15.9 22.7 19 19 A A T < + 0 0 0 22,-1.6 23,-0.1 -3,-0.6 9,-0.1 0.724 53.3 72.8 -70.9 -19.4 12.0 19.6 22.6 20 20 A G T 3 S+ 0 0 3 21,-0.2 2,-0.3 4,-0.1 -1,-0.2 0.638 102.4 18.2 -73.5 -18.4 15.2 19.7 24.6 21 21 A S S X> S- 0 0 55 -3,-1.1 4,-1.5 30,-0.0 3,-0.8 -0.958 100.4 -19.4-151.1 161.7 17.6 18.5 21.9 22 22 A G H 3> S+ 0 0 22 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.027 118.7 2.3 47.5-126.7 18.4 17.8 18.3 23 23 A I H 3> S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 129.4 57.2 -69.9 -37.5 15.5 17.6 15.8 24 24 A G H <> S+ 0 0 1 -3,-0.8 4,-2.1 -6,-0.4 -5,-0.2 0.941 110.0 46.3 -57.6 -48.7 12.8 18.4 18.4 25 25 A L H X S+ 0 0 19 -4,-1.5 4,-2.1 -7,-0.5 -1,-0.2 0.883 110.9 50.7 -58.5 -45.6 14.5 21.7 19.3 26 26 A E H X S+ 0 0 29 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.908 108.4 54.2 -62.4 -38.9 15.1 22.7 15.7 27 27 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.927 105.7 51.7 -58.4 -48.1 11.4 22.0 15.0 28 28 A C H X S+ 0 0 0 -4,-2.1 4,-3.5 2,-0.2 -1,-0.2 0.921 110.5 49.5 -54.7 -44.7 10.4 24.4 17.9 29 29 A R H X S+ 0 0 73 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.959 111.7 48.7 -57.4 -52.0 12.7 27.1 16.3 30 30 A A H X S+ 0 0 0 -4,-2.9 4,-1.0 2,-0.2 -2,-0.2 0.892 115.6 43.5 -53.8 -41.7 11.0 26.4 12.9 31 31 A F H ><>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 3,-0.6 0.927 111.3 53.6 -77.7 -40.7 7.5 26.6 14.5 32 32 A A H ><5S+ 0 0 27 -4,-3.5 3,-1.6 1,-0.2 -2,-0.2 0.944 110.2 49.1 -52.0 -49.9 8.4 29.7 16.6 33 33 A A H 3<5S+ 0 0 39 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.697 106.2 56.9 -67.4 -22.5 9.5 31.4 13.4 34 34 A S T <<5S- 0 0 3 -4,-1.0 -25,-3.0 -3,-0.6 -1,-0.3 0.223 125.7 -97.0 -93.6 13.2 6.3 30.4 11.6 35 35 A G T < 5S+ 0 0 26 -3,-1.6 -24,-0.9 1,-0.2 -3,-0.2 0.523 78.0 135.6 89.3 9.0 4.2 32.2 14.2 36 36 A A < - 0 0 4 -5,-2.3 2,-0.3 -26,-0.2 -1,-0.2 -0.510 49.7-127.7 -85.9 155.2 3.2 29.3 16.5 37 37 A R E -a 13 0A 113 -25,-3.3 -23,-3.3 -28,-0.2 2,-0.4 -0.772 29.9-131.8 -99.4 153.6 3.2 29.1 20.3 38 38 A L E -ac 14 59A 0 20,-3.0 22,-2.7 -2,-0.3 23,-1.9 -0.894 23.2-169.4-120.0 130.7 5.0 26.2 22.0 39 39 A I E -ac 15 61A 0 -25,-2.6 -23,-2.4 -2,-0.4 2,-0.5 -0.951 29.6-152.9-103.5 110.2 4.4 23.7 24.7 40 40 A L E -ac 16 62A 0 21,-2.9 23,-3.5 -2,-0.7 2,-0.4 -0.755 14.5-176.3 -97.7 130.4 7.8 22.1 25.3 41 41 A I E +ac 17 63A 1 -25,-2.6 -22,-1.6 -2,-0.5 -23,-1.5 -0.978 17.0 137.2-135.0 123.9 8.1 18.6 26.7 42 42 A D E - c 0 64A 26 21,-1.3 23,-1.3 -2,-0.4 24,-0.1 -0.972 50.4-131.9-155.6 147.6 11.2 16.7 27.6 43 43 A R S S+ 0 0 112 -2,-0.3 2,-0.9 21,-0.2 23,-0.1 0.722 93.9 81.7 -71.1 -19.3 12.2 14.3 30.5 44 44 A E > - 0 0 97 1,-0.2 4,-2.2 21,-0.1 -1,-0.1 -0.749 60.4-171.7 -92.7 102.9 15.4 16.4 30.8 45 45 A A H > S+ 0 0 19 -2,-0.9 4,-2.0 1,-0.2 5,-0.2 0.890 85.5 54.6 -56.7 -41.7 14.7 19.5 32.8 46 46 A A H > S+ 0 0 56 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.926 109.3 46.5 -59.4 -49.1 18.1 21.0 32.1 47 47 A A H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.877 108.9 57.7 -61.8 -42.9 17.6 20.7 28.3 48 48 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.893 104.9 47.7 -53.5 -48.5 14.1 22.2 28.6 49 49 A D H X S+ 0 0 42 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.882 112.4 50.7 -67.6 -34.2 15.2 25.5 30.2 50 50 A R H X S+ 0 0 145 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.964 112.1 46.7 -62.3 -52.3 17.9 25.9 27.6 51 51 A A H >X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-0.6 0.958 117.1 44.1 -49.3 -54.0 15.3 25.3 24.9 52 52 A A H 3X S+ 0 0 5 -4,-3.1 4,-2.0 1,-0.3 -2,-0.2 0.853 109.7 54.2 -64.8 -41.3 12.9 27.8 26.6 53 53 A Q H 3< S+ 0 0 149 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.792 114.0 43.9 -58.6 -32.6 15.6 30.4 27.3 54 54 A E H << S+ 0 0 103 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.854 111.5 50.9 -84.0 -40.6 16.4 30.4 23.6 55 55 A L H >< S- 0 0 23 -4,-2.3 3,-0.9 -5,-0.2 2,-0.3 0.820 85.7-177.7 -69.6 -30.1 12.9 30.4 22.2 56 56 A G G >< + 0 0 42 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 -0.525 60.7 3.8 73.8-131.3 11.7 33.4 24.3 57 57 A A G 3 S+ 0 0 94 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.568 114.9 77.8 -74.3 -12.7 8.1 34.6 24.1 58 58 A A G < S+ 0 0 20 -3,-0.9 -20,-3.0 -6,-0.1 2,-0.6 0.643 75.7 94.8 -70.7 -13.0 7.1 31.8 21.8 59 59 A V E < +c 38 0A 27 -3,-1.5 -20,-0.2 -22,-0.2 3,-0.1 -0.723 41.8 170.8 -90.5 115.3 7.0 29.4 24.8 60 60 A A E S- 0 0 16 -22,-2.7 2,-0.3 -2,-0.6 -21,-0.2 0.808 71.7 -8.5 -92.7 -33.5 3.6 29.1 26.4 61 61 A A E -c 39 0A 7 -23,-1.9 -21,-2.9 2,-0.0 2,-0.4 -0.994 50.3-152.2-156.1 161.0 4.7 26.2 28.7 62 62 A R E -c 40 0A 47 -2,-0.3 2,-0.5 -23,-0.2 767,-0.3 -0.989 18.8-171.4-133.8 126.7 7.5 23.9 29.5 63 63 A I E -c 41 0A 9 -23,-3.5 -21,-1.3 -2,-0.4 2,-0.5 -0.972 18.1-145.2-123.6 115.2 6.6 20.6 31.0 64 64 A V E +c 42 0A 49 -2,-0.5 2,-0.3 763,-0.2 -21,-0.2 -0.750 44.7 147.2 -74.1 121.4 9.2 18.1 32.4 65 65 A A - 0 0 11 -23,-1.3 2,-0.6 -2,-0.5 -21,-0.1 -0.947 50.5-129.1-161.5 140.9 7.6 14.7 31.6 66 66 A D > - 0 0 53 -2,-0.3 3,-1.4 -23,-0.1 6,-0.2 -0.889 19.6-147.9 -89.4 118.9 8.6 11.2 30.6 67 67 A V T 3 S+ 0 0 10 -2,-0.6 56,-0.1 1,-0.2 55,-0.1 0.726 93.9 66.1 -61.8 -23.1 6.7 10.2 27.5 68 68 A T T 3 S+ 0 0 40 1,-0.1 2,-1.1 54,-0.1 -1,-0.2 0.720 82.7 84.4 -71.4 -18.3 6.6 6.5 28.7 69 69 A D <> - 0 0 76 -3,-1.4 4,-1.4 1,-0.2 3,-0.4 -0.751 66.0-165.5 -86.7 97.0 4.4 7.5 31.7 70 70 A A H > S+ 0 0 26 -2,-1.1 4,-2.1 1,-0.2 3,-0.2 0.844 85.9 52.5 -50.7 -44.6 0.9 7.5 30.2 71 71 A E H > S+ 0 0 160 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.867 106.9 53.9 -71.8 -28.7 -0.7 9.4 33.1 72 72 A A H > S+ 0 0 26 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.817 107.7 50.0 -67.4 -32.6 2.0 12.1 32.8 73 73 A M H X S+ 0 0 0 -4,-1.4 4,-2.7 -3,-0.2 -2,-0.2 0.926 110.0 50.6 -70.0 -43.9 1.1 12.6 29.1 74 74 A T H X S+ 0 0 67 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.908 113.2 45.2 -55.3 -46.3 -2.5 12.9 29.9 75 75 A A H X S+ 0 0 31 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.918 110.3 55.1 -65.1 -43.3 -1.8 15.5 32.6 76 76 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.910 108.3 48.1 -58.7 -44.1 0.5 17.3 30.3 77 77 A A H X S+ 0 0 6 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.902 111.6 50.8 -60.2 -42.7 -2.3 17.6 27.7 78 78 A A H X S+ 0 0 38 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.940 113.4 44.8 -58.0 -52.1 -4.6 18.8 30.4 79 79 A E H X S+ 0 0 19 -4,-3.1 4,-1.0 1,-0.2 3,-0.4 0.943 115.5 47.9 -57.6 -47.3 -2.1 21.5 31.5 80 80 A A H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.8 0.904 108.3 52.1 -66.2 -41.7 -1.4 22.5 27.9 81 81 A E H 3< S+ 0 0 52 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.748 104.4 60.0 -64.5 -26.5 -5.0 22.8 26.8 82 82 A A H 3< S+ 0 0 40 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.804 108.8 41.9 -71.2 -32.0 -5.5 25.0 29.8 83 83 A V H << S- 0 0 28 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.1 0.923 138.0 -23.2 -77.2 -54.2 -2.9 27.6 28.5 84 84 A A S < S- 0 0 18 -4,-2.3 -1,-0.3 756,-0.0 2,-0.1 -0.972 76.6 -89.3-155.4 143.7 -4.1 27.4 24.8 85 85 A P - 0 0 81 0, 0.0 2,-0.6 0, 0.0 -72,-0.3 -0.400 45.6-133.0 -53.4 125.5 -5.9 24.9 22.7 86 86 A V + 0 0 0 1,-0.1 -72,-0.2 -9,-0.1 3,-0.1 -0.770 35.3 166.3 -89.3 116.4 -3.2 22.6 21.2 87 87 A S + 0 0 37 -74,-2.1 51,-1.9 -2,-0.6 2,-0.4 0.454 63.0 47.7-109.0 -9.1 -3.7 22.1 17.4 88 88 A I E -bd 14 138A 6 -75,-1.3 -73,-2.5 49,-0.2 2,-0.4 -0.995 60.2-172.8-129.8 140.0 -0.3 20.6 16.5 89 89 A L E -bd 15 139A 0 49,-2.0 51,-3.0 -2,-0.4 2,-0.6 -0.992 4.4-167.0-130.0 125.2 1.7 17.7 18.2 90 90 A V E -bd 16 140A 0 -75,-2.8 -73,-2.8 -2,-0.4 2,-1.1 -0.960 7.6-158.4-110.4 117.7 5.2 16.7 17.3 91 91 A N E +bd 17 141A 4 49,-2.2 51,-2.1 -2,-0.6 -73,-0.1 -0.774 39.2 140.3 -92.8 89.4 6.3 13.3 18.8 92 92 A S + 0 0 23 -2,-1.1 -74,-0.3 -75,-0.9 -1,-0.2 0.675 27.9 113.7-106.4 -23.8 10.1 13.8 18.6 93 93 A A + 0 0 25 -3,-0.3 2,-0.3 -52,-0.1 49,-0.1 -0.242 46.7 132.4 -47.8 120.8 11.1 12.1 22.0 94 94 A G - 0 0 24 25,-0.0 2,-0.3 2,-0.0 18,-0.1 -0.980 37.9-148.3-169.4 164.2 13.1 9.0 21.1 95 95 A I - 0 0 15 -2,-0.3 2,-0.4 17,-0.2 21,-0.1 -0.944 3.1-154.9-137.6 158.0 16.2 6.8 21.6 96 96 A A - 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0 0 19 -2,-0.3 -27,-0.2 1,-0.1 2,-0.2 -0.490 45.0-108.6 -70.7 156.9 -16.3 64.2 55.6 730 220 C G B -x 702 0I 17 -29,-2.8 -27,-2.0 -2,-0.2 -1,-0.1 -0.561 26.6-120.1 -84.5 156.3 -13.4 66.5 56.3 731 221 C E >> - 0 0 105 -2,-0.2 3,-1.5 -29,-0.2 4,-0.9 -0.677 26.3-112.3 -88.6 148.3 -13.0 69.8 54.4 732 222 C P H >> S+ 0 0 19 0, 0.0 4,-2.4 0, 0.0 3,-0.7 0.857 117.1 60.5 -43.3 -40.7 -9.9 70.4 52.4 733 223 C S H 3> S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.730 98.1 55.8 -62.0 -27.7 -8.9 73.1 54.9 734 224 C E H <> S+ 0 0 72 -3,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.769 111.0 44.7 -79.5 -26.0 -8.8 70.6 57.8 735 225 C I H < S+ 0 0 71 -4,-1.9 3,-0.7 1,-0.2 6,-0.6 0.956 113.2 44.1 -54.0 -52.8 1.7 71.9 61.1 742 232 C L H 3< S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.818 114.9 47.7 -66.6 -30.6 3.9 69.1 59.7 743 233 C A H 3< S+ 0 0 4 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.649 103.4 84.4 -80.8 -16.4 5.7 71.4 57.2 744 234 C S S X< S- 0 0 0 -4,-1.2 3,-2.2 -3,-0.7 -227,-0.1 -0.484 92.7-108.1 -91.6 153.0 6.3 74.0 59.9 745 235 C P G > S+ 0 0 74 0, 0.0 3,-1.4 0, 0.0 -228,-0.2 0.625 111.2 78.5 -43.5 -22.9 9.1 74.4 62.6 746 236 C A G 3 S+ 0 0 29 -230,-0.9 3,-0.3 1,-0.3 -4,-0.1 0.800 90.9 52.1 -63.0 -27.5 6.4 73.4 65.1 747 237 C A G X S+ 0 0 0 -3,-2.2 3,-1.9 -6,-0.6 -1,-0.3 -0.051 70.8 131.1 -99.0 33.0 6.9 69.8 64.1 748 238 C S T < S+ 0 0 89 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.781 76.2 41.5 -59.6 -32.0 10.7 70.0 64.6 749 239 C Y T 3 S+ 0 0 235 -3,-0.3 2,-0.7 -4,-0.1 -1,-0.3 0.276 97.9 98.4 -95.4 12.8 10.8 66.7 66.7 750 240 C V < + 0 0 42 -3,-1.9 2,-0.3 -8,-0.1 -3,-0.1 -0.861 41.9 142.4-107.6 115.0 8.3 64.9 64.3 751 241 C T + 0 0 60 -2,-0.7 -56,-0.2 -58,-0.1 3,-0.1 -0.986 62.2 16.3-152.0 147.5 9.7 62.6 61.7 752 242 C G S S+ 0 0 11 -58,-2.7 2,-0.2 -2,-0.3 -57,-0.2 0.635 88.8 147.2 66.2 15.7 8.5 59.3 60.2 753 243 C A - 0 0 33 -59,-0.2 -57,-2.6 -73,-0.1 2,-0.6 -0.634 46.5-148.3 -87.9 144.9 5.1 59.9 61.7 754 244 C I E -v 696 0G 54 -2,-0.2 2,-0.8 -59,-0.2 -57,-0.2 -0.915 19.1-158.7-107.1 100.8 1.8 58.8 60.2 755 245 C L E -v 697 0G 65 -59,-3.4 -57,-3.1 -2,-0.6 2,-0.3 -0.727 6.2-147.0 -89.8 109.6 -0.8 61.6 61.2 756 246 C A E +v 698 0G 49 -2,-0.8 2,-0.2 -59,-0.2 3,-0.1 -0.524 23.7 171.0 -63.0 121.2 -4.4 60.3 61.1 757 247 C V E +v 699 0G 37 -59,-1.8 -57,-2.0 -2,-0.3 -102,-0.1 -0.681 35.9 121.9-132.0 79.9 -6.9 63.1 60.1 758 248 C D S > S- 0 0 18 -59,-0.3 3,-2.0 -2,-0.2 -57,-0.2 0.133 82.0-106.3-140.5 14.6 -9.9 61.0 59.6 759 249 C G T 3 S- 0 0 22 1,-0.3 -33,-2.2 -59,-0.1 -32,-0.2 0.694 85.8 -56.0 66.8 14.9 -12.8 62.1 61.9 760 250 C G T >> S+ 0 0 17 -35,-0.2 3,-1.8 -36,-0.2 4,-0.8 0.366 98.4 138.0 98.4 -1.5 -12.1 59.0 64.0 761 251 C Y G X4 S+ 0 0 14 -3,-2.0 3,-0.7 1,-0.3 -2,-0.1 0.836 72.9 44.1 -48.8 -47.8 -12.5 56.5 61.1 762 252 C T G 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 -38,-0.0 0.654 97.6 76.1 -76.3 -14.5 -9.5 54.3 62.0 763 253 C V G <4 0 0 118 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.880 360.0 360.0 -63.3 -39.7 -10.4 54.3 65.8 764 254 C W << 0 0 208 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.653 360.0 360.0 -84.1 360.0 -13.3 51.8 65.2 765 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 766 1 D M 0 0 168 0, 0.0 2,-0.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 125.3 -12.8 19.2 66.1 767 2 D D >> - 0 0 71 1,-0.1 3,-1.0 2,-0.0 4,-0.6 -0.916 360.0-173.3-107.4 106.1 -9.4 17.3 66.3 768 3 D Y T 34 S+ 0 0 177 -2,-0.6 4,-0.3 1,-0.2 -1,-0.1 0.662 81.7 70.2 -72.3 -17.2 -6.5 19.5 67.5 769 4 D R T 34 S+ 0 0 211 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.772 117.0 20.0 -72.9 -23.0 -4.1 16.7 66.7 770 5 D T T X4 S+ 0 0 70 -3,-1.0 3,-1.7 2,-0.1 -2,-0.2 0.261 90.9 103.4-128.5 5.6 -4.6 17.2 63.0 771 6 D V T 3< S+ 0 0 16 -4,-0.6 230,-1.0 1,-0.3 -3,-0.1 0.723 83.4 55.5 -66.5 -22.3 -6.1 20.8 62.7 772 7 D F T 3 S+ 0 0 106 -4,-0.3 -1,-0.3 228,-0.2 2,-0.1 0.474 89.1 106.0 -86.6 0.7 -2.7 22.0 61.5 773 8 D R < - 0 0 100 -3,-1.7 27,-0.2 1,-0.1 228,-0.1 -0.383 58.3-153.4 -83.8 164.6 -2.6 19.5 58.6 774 9 D L > + 0 0 8 25,-2.7 3,-2.2 22,-0.2 28,-0.2 -0.087 32.0 167.4-120.2 25.5 -3.0 20.2 54.9 775 10 D D T 3 S+ 0 0 98 1,-0.3 26,-0.2 24,-0.2 25,-0.1 -0.245 70.8 2.8 -47.4 120.8 -4.3 16.7 53.9 776 11 D G T 3 S+ 0 0 82 24,-1.4 -1,-0.3 1,-0.3 2,-0.3 0.550 101.3 129.4 81.6 6.5 -5.7 16.7 50.4 777 12 D A < - 0 0 16 -3,-2.2 25,-2.8 23,-0.2 2,-0.5 -0.617 50.1-146.0 -88.1 150.4 -4.9 20.3 49.8 778 13 D C E -y 802 0J 6 72,-0.3 75,-1.7 -2,-0.3 74,-1.6 -0.985 19.4-165.4-116.4 126.7 -3.1 21.5 46.8 779 14 D A E -yz 803 853J 0 23,-3.3 25,-2.6 -2,-0.5 2,-0.5 -0.906 12.7-151.4-115.0 132.9 -0.9 24.5 47.4 780 15 D A E -yz 804 854J 0 73,-3.5 75,-3.2 -2,-0.4 2,-0.5 -0.872 16.4-171.0 -96.2 131.1 0.8 26.9 44.9 781 16 D V E > -yz 805 855J 0 23,-2.3 25,-2.0 -2,-0.5 3,-0.7 -0.968 9.2-155.2-126.5 118.9 4.1 28.4 46.1 782 17 D T E 3 S+yz 806 856J 2 73,-2.7 75,-0.7 -2,-0.5 25,-0.2 -0.617 85.2 28.9 -87.5 150.4 5.9 31.2 44.3 783 18 D G T > S+ 0 0 10 23,-1.3 3,-0.9 -2,-0.2 7,-0.5 0.762 77.4 153.6 67.3 26.7 9.6 31.5 44.8 784 19 D A T < + 0 0 0 22,-2.0 23,-0.2 -3,-0.7 9,-0.1 0.548 51.0 75.9 -62.6 -9.9 9.6 27.7 45.4 785 20 D G T 3 S+ 0 0 1 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.816 101.3 7.0 -81.9 -34.5 13.3 27.3 44.3 786 21 D S S <> S- 0 0 54 -3,-0.9 4,-1.6 30,-0.0 3,-0.4 -0.897 100.6 -1.9-138.0 173.0 15.2 28.6 47.4 787 22 D G H > S- 0 0 10 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.131 118.7 -4.5 59.8-132.1 15.0 29.9 50.9 788 23 D I H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.962 132.2 56.0 -63.5 -63.1 11.8 30.2 52.7 789 24 D G H > S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.2 -5,-0.2 0.932 110.7 47.1 -36.3 -54.6 9.6 29.2 49.6 790 25 D L H X S+ 0 0 18 -4,-1.6 4,-2.2 -7,-0.5 -2,-0.2 0.956 112.0 50.3 -56.8 -45.2 11.6 26.0 49.4 791 26 D E H X S+ 0 0 46 -4,-2.2 4,-3.1 1,-0.3 -2,-0.2 0.911 109.2 50.0 -68.5 -42.1 11.2 25.4 53.2 792 27 D I H X S+ 0 0 0 -4,-2.9 4,-3.7 2,-0.2 5,-0.3 0.893 105.4 57.9 -51.2 -46.9 7.5 25.9 53.1 793 28 D C H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.958 109.6 44.5 -51.2 -49.0 7.3 23.5 50.3 794 29 D R H X S+ 0 0 82 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.941 114.8 48.2 -59.3 -51.0 8.9 21.0 52.6 795 30 D A H X S+ 0 0 18 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.907 114.4 46.2 -56.3 -41.3 6.6 21.9 55.5 796 31 D F H <>S+ 0 0 0 -4,-3.7 5,-2.8 2,-0.2 -22,-0.2 0.918 112.8 48.8 -70.3 -39.3 3.5 21.7 53.3 797 32 D A H ><5S+ 0 0 27 -4,-2.6 3,-1.5 -5,-0.3 -1,-0.2 0.912 110.3 51.4 -63.4 -43.5 4.5 18.4 51.8 798 33 D A H 3<5S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 107.4 55.9 -67.7 -24.4 5.2 17.0 55.3 799 34 D S T 3<5S- 0 0 15 -4,-1.4 -25,-2.7 -5,-0.2 -1,-0.3 0.333 127.6 -96.1 -86.9 5.0 1.7 18.2 56.3 800 35 D G T < 5S+ 0 0 26 -3,-1.5 -24,-1.4 1,-0.3 -23,-0.2 0.554 78.1 133.6 100.5 7.7 -0.0 16.3 53.5 801 36 D A < - 0 0 3 -5,-2.8 2,-0.3 -26,-0.2 -1,-0.3 -0.562 49.8-131.7 -90.3 154.6 -0.4 18.8 50.7 802 37 D R E -y 778 0J 107 -25,-2.8 -23,-3.3 -2,-0.2 2,-0.4 -0.802 32.5-140.8 -95.4 150.4 0.4 18.5 47.0 803 38 D L E -ya 779 824J 0 20,-2.9 22,-3.1 -2,-0.3 23,-1.6 -0.892 23.3-158.8-122.8 147.5 2.4 21.4 45.5 804 39 D I E -ya 780 826J 0 -25,-2.6 -23,-2.3 -2,-0.4 2,-0.4 -0.963 27.3-150.7-114.3 115.3 2.6 23.4 42.5 805 40 D L E -ya 781 827J 0 21,-2.4 23,-2.8 -2,-0.6 2,-0.4 -0.714 15.1-176.2 -95.7 129.0 6.1 24.9 42.4 806 41 D I E +ya 782 828J 0 -25,-2.0 -22,-2.0 -2,-0.4 -23,-1.3 -0.985 16.9 138.1-131.7 121.9 6.7 28.2 40.7 807 42 D D E - a 0 829J 31 21,-1.1 23,-0.9 -2,-0.4 24,-0.1 -0.977 47.7-137.1-152.8 154.2 10.0 30.1 40.2 808 43 D R S S+ 0 0 119 -2,-0.3 2,-1.1 21,-0.2 23,-0.1 0.764 93.9 78.5 -78.5 -25.8 11.7 32.1 37.4 809 44 D E > - 0 0 98 1,-0.2 4,-2.2 21,-0.1 5,-0.1 -0.712 64.7-172.2 -86.9 97.5 15.0 30.3 38.1 810 45 D A H > S+ 0 0 15 -2,-1.1 4,-2.3 2,-0.2 5,-0.2 0.889 78.1 57.7 -52.4 -50.9 14.5 26.9 36.5 811 46 D A H >> S+ 0 0 58 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.949 111.3 42.5 -50.2 -56.4 17.7 25.2 37.9 812 47 D A H >> S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 3,-0.6 0.926 110.3 57.5 -56.6 -45.6 16.6 25.8 41.5 813 48 D L H 3X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.838 103.5 54.6 -57.4 -31.6 13.1 24.8 40.6 814 49 D D H < S+ 0 0 21 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.2 0.736 85.5 172.5 -88.4 -22.8 9.8 16.8 47.3 821 56 D G G >< + 0 0 40 -4,-1.8 3,-1.6 -5,-0.3 -1,-0.2 -0.298 59.7 12.0 65.5-124.5 9.0 13.9 45.0 822 57 D A G 3 S+ 0 0 90 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 0.598 116.5 70.5 -74.5 -13.7 5.4 12.6 44.7 823 58 D A G < S+ 0 0 21 -3,-1.3 -20,-2.9 -6,-0.1 2,-0.5 0.593 78.8 97.0 -73.9 -13.6 4.0 15.6 46.6 824 59 D V E < +a 803 0J 25 -3,-1.6 -20,-0.2 -22,-0.2 3,-0.1 -0.704 47.1 175.0 -82.5 122.3 4.8 17.7 43.6 825 60 D A E - 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