==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-NOV-06 2O35 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN DUF1244; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR Y.KIM,A.JOACHIMIAK,E.EVDOKIMOVA,M.KUDRITSKA,A.EDWARDS,A.SAVC . 174 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 56.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 0 1 1 2 2 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 0 141 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -93.2 -14.4 50.8 4.4 2 3 A E + 0 0 185 2,-0.1 2,-0.7 0, 0.0 0, 0.0 0.382 360.0 94.9 -83.5 -5.5 -13.5 47.9 2.1 3 4 A I S S- 0 0 31 4,-0.0 135,-0.0 3,-0.0 0, 0.0 -0.813 75.8-143.0 -92.4 115.3 -10.2 48.7 3.7 4 5 A S > - 0 0 36 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.223 24.0-104.8 -73.9 163.7 -9.6 46.4 6.7 5 6 A P H > S+ 0 0 91 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.849 123.1 51.6 -51.9 -36.2 -7.9 47.3 10.0 6 7 A E H > S+ 0 0 136 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.877 105.5 52.2 -81.4 -28.1 -4.9 45.4 8.9 7 8 A Q H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.947 109.6 51.4 -61.6 -49.4 -4.6 47.2 5.5 8 9 A R H X S+ 0 0 85 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.901 107.8 51.8 -51.6 -46.2 -4.7 50.6 7.4 9 10 A T H X S+ 0 0 46 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.926 110.7 49.1 -58.5 -49.0 -1.9 49.4 9.7 10 11 A A H X S+ 0 0 42 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.906 115.6 42.3 -51.9 -50.2 0.1 48.5 6.6 11 12 A F H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.883 115.3 48.6 -73.2 -39.4 -0.5 51.8 4.9 12 13 A E H X S+ 0 0 20 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.915 113.3 48.0 -66.0 -42.6 0.0 53.9 8.1 13 14 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 -2,-0.2 0.909 112.0 49.3 -67.0 -43.8 3.3 52.1 8.9 14 15 A A H X S+ 0 0 25 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.877 110.9 49.6 -61.4 -39.3 4.6 52.6 5.3 15 16 A V H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.900 110.8 50.5 -67.3 -41.9 3.7 56.3 5.4 16 17 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.939 110.1 49.3 -59.2 -46.7 5.5 56.7 8.7 17 18 A R H X S+ 0 0 96 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.799 110.2 51.5 -63.6 -30.3 8.6 54.9 7.4 18 19 A R H X S+ 0 0 85 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.811 109.4 50.1 -72.3 -36.8 8.5 57.2 4.3 19 20 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.934 110.3 50.5 -64.6 -45.8 8.4 60.2 6.6 20 21 A L H X S+ 0 0 7 -4,-2.5 4,-1.7 1,-0.2 3,-0.2 0.902 111.3 47.5 -55.7 -47.7 11.3 58.9 8.6 21 22 A E H X S+ 0 0 101 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.873 110.6 52.3 -62.9 -41.4 13.3 58.4 5.4 22 23 A H H X S+ 0 0 35 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.762 108.9 49.7 -68.6 -30.7 12.4 61.9 4.2 23 24 A L H < S+ 0 0 5 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.779 107.0 55.9 -78.1 -30.2 13.6 63.4 7.5 24 25 A R H >< S+ 0 0 87 -4,-1.7 3,-0.6 -5,-0.2 -2,-0.2 0.888 112.2 42.4 -63.9 -41.3 16.9 61.5 7.2 25 26 A E H 3< S+ 0 0 161 -4,-1.8 2,-0.4 1,-0.2 3,-0.2 0.784 108.8 58.8 -78.1 -28.9 17.4 63.1 3.7 26 27 A R T >< + 0 0 70 -4,-1.3 3,-2.2 1,-0.2 -1,-0.2 -0.276 63.7 145.3 -91.4 48.4 16.3 66.5 4.9 27 28 A S T < + 0 0 77 -3,-0.6 -1,-0.2 -2,-0.4 -2,-0.1 0.539 60.1 73.5 -62.0 -6.7 19.1 66.5 7.6 28 29 A D T 3 S+ 0 0 99 -3,-0.2 2,-0.6 2,-0.1 -1,-0.3 0.550 77.1 91.6 -79.2 -13.2 19.3 70.4 6.9 29 30 A V S < S- 0 0 5 -3,-2.2 2,-0.2 -6,-0.2 89,-0.1 -0.802 77.8-137.0 -90.0 118.5 16.0 70.8 8.8 30 31 A Q > - 0 0 108 -2,-0.6 4,-2.0 1,-0.1 3,-0.3 -0.501 10.4-133.0 -81.5 141.7 16.7 71.4 12.5 31 32 A N H > S+ 0 0 19 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.937 108.4 58.9 -56.1 -46.1 14.7 69.8 15.2 32 33 A I H > S+ 0 0 97 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.867 107.8 43.7 -49.9 -44.6 14.4 73.2 16.8 33 34 A D H > S+ 0 0 71 -3,-0.3 4,-1.4 2,-0.2 5,-0.3 0.845 112.6 51.5 -76.2 -32.4 12.7 74.8 13.8 34 35 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 6,-0.8 0.880 113.7 46.7 -62.3 -39.6 10.4 71.8 13.3 35 36 A X H X S+ 0 0 73 -4,-2.6 4,-2.3 4,-0.2 -2,-0.2 0.957 112.5 47.5 -71.8 -51.8 9.5 72.2 17.0 36 37 A N H < S+ 0 0 122 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.692 122.8 35.5 -61.4 -27.5 8.9 76.0 16.8 37 38 A L H < S+ 0 0 48 -4,-1.4 -2,-0.2 3,-0.2 -3,-0.2 0.895 134.4 17.7 -85.8 -63.5 6.8 75.7 13.7 38 39 A A H < S- 0 0 0 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.504 92.8-119.1 -97.3 -8.0 4.9 72.4 14.2 39 40 A G S < S+ 0 0 14 -4,-2.3 2,-0.3 -5,-0.5 -4,-0.2 0.658 88.8 71.2 75.4 12.9 5.1 71.6 17.9 40 41 A F + 0 0 0 -6,-0.8 -2,-0.3 -9,-0.1 2,-0.2 -0.979 53.1 172.7-149.7 162.7 6.9 68.3 17.2 41 42 A C > - 0 0 10 -2,-0.3 4,-2.7 -3,-0.1 3,-0.2 -0.828 56.1 -71.4-151.0-172.3 10.4 67.2 15.9 42 43 A R H > S+ 0 0 6 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.872 132.1 54.7 -58.6 -36.4 12.5 64.0 15.4 43 44 A N H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 107.6 48.5 -64.9 -35.2 12.8 63.8 19.2 44 45 A C H > S+ 0 0 30 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.924 110.1 52.4 -67.2 -44.6 9.0 63.9 19.5 45 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.924 110.9 46.4 -53.5 -47.3 8.7 61.2 16.9 46 47 A S H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.900 113.9 50.0 -63.7 -39.8 11.2 59.0 18.9 47 48 A N H X S+ 0 0 62 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.937 110.3 48.3 -64.5 -44.1 9.3 59.7 22.0 48 49 A W H X S+ 0 0 17 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.843 111.5 51.3 -65.1 -32.5 5.9 58.8 20.5 49 50 A Y H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.885 110.3 47.9 -71.8 -44.0 7.4 55.6 19.1 50 51 A R H X S+ 0 0 57 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.925 111.9 50.1 -57.6 -44.1 8.7 54.7 22.6 51 52 A E H X S+ 0 0 72 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.862 109.1 53.7 -66.4 -32.6 5.3 55.5 24.1 52 53 A A H X S+ 0 0 10 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.904 108.8 47.2 -68.5 -45.4 3.6 53.3 21.5 53 54 A A H <>S+ 0 0 0 -4,-2.2 5,-3.0 2,-0.2 -2,-0.2 0.908 113.9 48.1 -60.5 -44.3 5.8 50.4 22.3 54 55 A E H ><5S+ 0 0 94 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.907 107.5 55.5 -60.8 -42.5 5.1 50.9 26.1 55 56 A A H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 108.2 51.2 -61.6 -28.0 1.4 51.2 25.4 56 57 A S T 3<5S- 0 0 73 -4,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.211 126.7 -96.8 -95.7 11.2 1.7 47.8 23.7 57 58 A G T < 5S+ 0 0 66 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.620 88.2 117.9 89.9 9.9 3.4 46.1 26.6 58 59 A V < - 0 0 13 -5,-3.0 -2,-0.2 -6,-0.2 -1,-0.2 -0.911 55.1-143.5-116.0 110.5 7.0 46.4 25.3 59 60 A P + 0 0 93 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 -0.357 26.3 175.7 -68.3 150.6 9.5 48.5 27.4 60 61 A X - 0 0 21 -10,-0.1 -6,-0.1 -2,-0.0 2,-0.0 -0.975 24.0-122.2-157.2 139.6 11.9 50.5 25.4 61 62 A S > - 0 0 43 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.274 27.1-111.4 -82.4 167.4 14.7 53.0 26.2 62 63 A K H > S+ 0 0 136 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.903 119.2 48.3 -60.2 -42.9 15.0 56.6 25.0 63 64 A E H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 11,-0.2 0.861 107.5 54.0 -70.1 -37.1 18.1 55.6 22.9 64 65 A E H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.948 110.1 48.0 -58.7 -49.1 16.4 52.6 21.3 65 66 A S H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.872 112.7 49.2 -60.9 -35.0 13.5 54.7 20.1 66 67 A R H X S+ 0 0 54 -4,-1.6 4,-3.3 2,-0.2 5,-0.4 0.928 105.8 55.6 -72.8 -44.6 16.0 57.3 18.8 67 68 A E H X S+ 0 0 94 -4,-2.8 4,-1.8 1,-0.2 5,-0.5 0.882 109.5 49.4 -46.7 -46.9 18.1 54.7 16.9 68 69 A I H < S+ 0 0 67 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.906 116.9 38.4 -60.5 -50.6 14.8 53.6 15.2 69 70 A V H < S+ 0 0 5 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.902 123.8 39.4 -70.5 -41.4 13.8 57.2 14.1 70 71 A Y H < S- 0 0 2 -4,-3.3 -3,-0.2 2,-0.3 -2,-0.2 0.760 97.2-131.8 -83.4 -24.3 17.3 58.5 13.3 71 72 A G S < S+ 0 0 51 -4,-1.8 -3,-0.2 -5,-0.4 -4,-0.1 0.693 85.3 45.0 75.1 19.8 18.6 55.3 11.6 72 73 A X S S- 0 0 74 -5,-0.5 -2,-0.3 -6,-0.3 -1,-0.2 -0.937 110.0 -60.8-171.4 164.7 21.7 55.6 13.7 73 74 A P >> - 0 0 62 0, 0.0 4,-1.6 0, 0.0 3,-0.5 -0.386 51.2-123.7 -52.7 133.6 22.7 56.4 17.3 74 75 A Y H 3> S+ 0 0 33 1,-0.2 4,-2.3 -11,-0.2 5,-0.2 0.853 110.0 54.0 -44.8 -46.1 21.5 59.9 18.2 75 76 A E H 34 S+ 0 0 116 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.855 105.5 52.7 -66.2 -34.9 25.0 61.2 19.1 76 77 A E H X4 S+ 0 0 131 -3,-0.5 3,-0.6 1,-0.2 -1,-0.2 0.835 111.7 46.9 -65.3 -34.3 26.3 60.0 15.7 77 78 A W H 3< S+ 0 0 49 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.862 97.8 69.0 -70.3 -36.8 23.5 62.1 14.1 78 79 A R T 3< 0 0 156 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.623 360.0 360.0 -57.8 -9.7 24.3 65.0 16.4 79 80 A T < 0 0 160 -3,-0.6 -1,-0.1 -4,-0.2 -4,-0.0 -0.880 360.0 360.0-102.4 360.0 27.5 65.2 14.3 80 !* 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 81 2 B S 0 0 97 0, 0.0 2,-0.7 0, 0.0 -23,-0.0 0.000 360.0 360.0 360.0 -83.9 13.7 44.5 24.1 82 3 B E - 0 0 181 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.722 360.0-171.6 -84.7 110.1 13.5 41.9 21.3 83 4 B I - 0 0 58 -2,-0.7 -25,-0.0 1,-0.0 0, 0.0 -0.784 18.1-126.1-116.8 147.7 10.7 42.8 19.0 84 5 B S > - 0 0 40 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.392 28.5-112.6 -81.0 159.2 9.0 41.1 16.0 85 6 B P H > S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.836 121.3 55.1 -57.8 -33.3 8.5 42.6 12.6 86 7 B E H > S+ 0 0 140 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.916 108.4 48.0 -69.0 -37.6 4.8 42.6 13.3 87 8 B Q H > S+ 0 0 66 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.955 109.8 52.6 -62.7 -49.2 5.4 44.7 16.5 88 9 B R H X S+ 0 0 86 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.920 112.3 45.9 -50.8 -46.7 7.7 47.1 14.6 89 10 B T H X S+ 0 0 35 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.881 111.3 50.9 -65.7 -43.4 4.9 47.6 12.1 90 11 B A H X S+ 0 0 42 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.909 112.4 48.1 -59.7 -39.2 2.3 48.1 14.8 91 12 B F H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.848 111.2 49.7 -75.8 -34.3 4.5 50.7 16.5 92 13 B E H X S+ 0 0 10 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.913 112.6 47.2 -62.9 -49.5 5.1 52.5 13.2 93 14 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.895 114.1 47.6 -61.6 -38.1 1.4 52.6 12.4 94 15 B A H X S+ 0 0 24 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.874 110.8 49.4 -73.6 -36.9 0.6 53.8 15.9 95 16 B V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.863 109.6 54.3 -68.6 -35.9 3.2 56.5 15.9 96 17 B F H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.936 106.7 50.1 -61.8 -46.3 1.8 57.6 12.6 97 18 B R H X S+ 0 0 116 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.809 108.6 53.4 -62.4 -26.6 -1.6 57.9 14.2 98 19 B R H X S+ 0 0 77 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.920 108.0 50.0 -70.1 -45.2 -0.1 60.0 17.0 99 20 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.911 109.8 51.1 -53.6 -43.4 1.4 62.3 14.4 100 21 B L H X S+ 0 0 9 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.894 108.9 50.6 -68.1 -43.1 -2.0 62.6 12.7 101 22 B E H X S+ 0 0 89 -4,-1.9 4,-1.8 1,-0.2 3,-0.4 0.970 112.5 49.0 -46.5 -57.8 -3.7 63.5 16.1 102 23 B H H X S+ 0 0 29 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.825 109.0 48.2 -60.9 -43.5 -1.0 66.1 16.6 103 24 B L H < S+ 0 0 3 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.829 110.2 55.3 -68.8 -28.5 -1.3 67.8 13.2 104 25 B R H >< S+ 0 0 103 -4,-1.8 3,-0.5 -3,-0.4 -2,-0.2 0.822 110.6 43.7 -70.2 -34.2 -5.1 67.8 13.6 105 26 B E H 3< S+ 0 0 152 -4,-1.8 2,-0.7 1,-0.2 3,-0.3 0.816 108.7 58.2 -81.6 -31.5 -4.8 69.7 17.0 106 27 B R T >< + 0 0 70 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.2 -0.357 65.7 147.8 -88.8 52.5 -2.2 72.1 15.5 107 28 B S T < + 0 0 63 -2,-0.7 -1,-0.2 -3,-0.5 -2,-0.1 0.681 65.9 66.1 -56.8 -25.8 -4.7 73.1 12.8 108 29 B D T 3 S+ 0 0 64 -3,-0.3 2,-1.0 2,-0.1 -1,-0.3 0.752 77.0 98.1 -64.2 -30.6 -3.0 76.5 13.0 109 30 B V S < S- 0 0 6 -3,-1.8 -3,-0.1 -6,-0.2 -1,-0.1 -0.515 75.3-139.6 -69.2 99.1 0.2 74.9 11.5 110 31 B Q > - 0 0 91 -2,-1.0 4,-2.5 1,-0.1 5,-0.1 -0.279 8.5-136.6 -61.7 138.5 0.1 75.7 7.8 111 32 B N H > S+ 0 0 20 2,-0.2 4,-3.4 1,-0.2 9,-0.1 0.867 105.6 53.7 -61.4 -41.9 1.0 73.2 5.1 112 33 B I H > S+ 0 0 98 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.937 108.9 48.1 -60.5 -48.6 3.0 75.8 3.1 113 34 B D H > S+ 0 0 71 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.950 114.1 47.3 -56.5 -46.9 5.0 76.7 6.2 114 35 B L H X S+ 0 0 1 -4,-2.5 4,-3.3 2,-0.2 6,-0.8 0.895 115.3 46.8 -52.9 -47.4 5.6 72.9 6.7 115 36 B X H X S+ 0 0 92 -4,-3.4 4,-2.3 4,-0.2 -2,-0.2 0.963 114.3 45.4 -59.9 -56.9 6.5 72.7 3.0 116 37 B N H < S+ 0 0 122 -4,-3.8 -2,-0.2 1,-0.2 -3,-0.2 0.909 123.7 36.3 -51.7 -52.0 8.8 75.7 3.1 117 38 B L H < S+ 0 0 47 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.944 135.0 13.4 -63.5 -53.2 10.4 74.5 6.3 118 39 B A H < S- 0 0 0 -4,-3.3 -3,-0.2 2,-0.4 -2,-0.2 0.376 89.5-116.2-124.1 -1.2 10.6 70.7 6.0 119 40 B G S < S+ 0 0 23 -4,-2.3 2,-0.3 -5,-0.4 -4,-0.2 0.636 90.5 68.9 70.4 13.7 9.8 69.6 2.4 120 41 B F + 0 0 1 -6,-0.8 -2,-0.4 -9,-0.1 2,-0.3 -0.939 52.1 170.1-144.9 170.5 6.6 67.8 3.4 121 42 B C > - 0 0 5 -2,-0.3 4,-1.9 -3,-0.1 3,-0.3 -0.884 58.6 -70.2-160.2-169.0 3.2 68.7 4.7 122 43 B R H > S+ 0 0 5 -2,-0.3 4,-1.7 1,-0.2 27,-0.1 0.714 130.9 57.2 -68.5 -21.3 -0.1 67.0 5.3 123 44 B N H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.1 -1,-0.2 0.854 103.8 49.9 -74.7 -38.2 -0.5 66.7 1.5 124 45 B C H > S+ 0 0 28 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.905 110.5 52.4 -65.3 -38.4 2.7 64.8 1.1 125 46 B L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.923 109.8 47.8 -62.6 -47.0 1.5 62.5 3.9 126 47 B S H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.873 113.7 48.4 -58.6 -41.3 -1.8 61.9 2.0 127 48 B N H X S+ 0 0 69 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.926 110.9 48.2 -69.5 -45.0 0.1 61.2 -1.2 128 49 B W H X S+ 0 0 29 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.865 112.0 50.6 -62.2 -37.2 2.5 58.8 0.4 129 50 B Y H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.931 110.4 50.2 -66.8 -45.0 -0.4 57.0 2.0 130 51 B R H X S+ 0 0 72 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.915 109.5 51.2 -53.0 -47.4 -2.1 56.9 -1.4 131 52 B E H X S+ 0 0 88 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.860 109.9 49.9 -60.6 -37.0 1.1 55.5 -2.9 132 53 B A H X S+ 0 0 16 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.895 113.2 44.9 -69.3 -47.0 1.2 52.8 -0.3 133 54 B A H ><>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 3,-0.6 0.931 112.5 51.1 -59.8 -49.8 -2.4 51.8 -0.8 134 55 B E H ><5S+ 0 0 85 -4,-3.1 3,-1.8 1,-0.3 -2,-0.2 0.935 109.5 51.2 -56.2 -42.6 -2.0 51.8 -4.6 135 56 B A H 3<5S+ 0 0 90 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.720 107.3 54.2 -62.5 -28.0 1.1 49.6 -4.3 136 57 B S T <<5S- 0 0 72 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.307 127.3-101.7 -85.5 1.8 -1.0 47.2 -2.1 137 58 B G T < 5S+ 0 0 62 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.733 83.2 128.5 85.1 25.2 -3.6 47.0 -4.9 138 59 B V < - 0 0 19 -5,-2.8 -1,-0.2 -8,-0.1 -2,-0.2 -0.881 51.9-143.5-112.7 101.3 -6.0 49.4 -3.3 139 60 B P + 0 0 112 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.314 29.1 169.4 -60.9 143.5 -7.2 52.2 -5.7 140 61 B X - 0 0 8 -10,-0.0 -6,-0.1 4,-0.0 2,-0.1 -0.914 25.9-130.5-161.5 130.5 -7.6 55.5 -3.8 141 62 B S > - 0 0 50 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.266 31.7-104.5 -76.1 165.8 -8.2 59.0 -5.1 142 63 B K H > S+ 0 0 119 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.935 122.9 47.1 -51.4 -49.1 -6.4 62.2 -4.0 143 64 B E H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 11,-0.3 0.790 107.0 54.9 -75.2 -26.7 -9.4 63.2 -1.9 144 65 B E H > S+ 0 0 101 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.920 109.3 47.8 -66.3 -42.4 -9.9 59.8 -0.2 145 66 B S H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.862 110.6 53.2 -68.5 -32.3 -6.3 59.7 1.0 146 67 B R H X S+ 0 0 39 -4,-1.5 4,-3.3 2,-0.2 5,-0.4 0.901 103.5 54.5 -69.1 -42.2 -6.8 63.3 2.3 147 68 B E H X S+ 0 0 97 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.850 108.8 52.3 -55.6 -37.3 -9.9 62.4 4.3 148 69 B I H < S+ 0 0 36 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.925 115.6 37.4 -63.3 -49.7 -7.7 59.8 5.9 149 70 B V H < S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.902 123.9 40.7 -70.0 -43.5 -4.9 62.1 6.9 150 71 B Y H < S- 0 0 2 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.775 98.5-131.5 -79.4 -29.1 -7.2 65.1 7.8 151 72 B G S < S+ 0 0 47 -4,-1.8 -4,-0.1 -5,-0.4 -3,-0.1 0.490 83.8 45.5 87.2 4.0 -9.9 63.1 9.6 152 73 B X S S- 0 0 61 -6,-0.3 -2,-0.2 -5,-0.1 -1,-0.2 -0.953 111.8 -62.3-159.8 164.8 -12.6 64.9 7.6 153 74 B P > - 0 0 38 0, 0.0 4,-1.4 0, 0.0 3,-0.3 -0.378 51.7-123.9 -54.3 136.6 -13.2 65.9 4.0 154 75 B Y H > S+ 0 0 44 -11,-0.3 4,-2.9 1,-0.2 5,-0.2 0.772 111.1 59.0 -57.1 -29.2 -10.4 68.2 3.2 155 76 B E H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.944 103.1 50.1 -64.0 -51.7 -13.0 70.8 2.1 156 77 B E H > S+ 0 0 108 -3,-0.3 4,-0.6 1,-0.2 -2,-0.2 0.810 116.0 46.4 -54.4 -31.6 -14.6 70.8 5.6 157 78 B W H < S+ 0 0 34 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.920 112.6 43.4 -78.8 -48.8 -11.0 71.3 7.0 158 79 B R H >< S+ 0 0 111 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.694 111.2 54.5 -79.2 -16.8 -9.7 74.1 4.8 159 80 B T H 3< S+ 0 0 103 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.759 99.7 62.0 -80.9 -26.3 -12.9 76.1 5.0 160 81 B Q T 3< 0 0 127 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 -0.021 360.0 360.0 -77.0 25.2 -12.4 75.8 8.8 161 82 B N < 0 0 111 -3,-0.7 3,-0.6 2,-0.1 -1,-0.2 0.927 360.0 360.0 -45.4 360.0 -9.2 77.7 7.8 162 ! 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 0.0 163 84 B G 0 0 98 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -1.9 -9.6 82.6 8.6 164 85 B E - 0 0 125 -3,-0.6 -4,-0.0 1,-0.1 0, 0.0 -0.801 360.0-101.1-108.7 139.9 -8.9 81.9 12.3 165 86 B A - 0 0 31 -2,-0.4 -1,-0.1 1,-0.1 -57,-0.0 0.012 40.8-110.2 -51.5 146.3 -6.6 83.8 14.7 166 87 B S > - 0 0 33 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.349 31.0-104.1 -72.4 165.1 -3.2 82.2 15.6 167 88 B P H > S+ 0 0 55 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.913 123.6 50.2 -54.2 -39.0 -2.5 80.7 19.1 168 89 B E H > S+ 0 0 137 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.813 110.7 48.0 -72.3 -32.4 -0.4 83.7 19.9 169 90 B Q H > S+ 0 0 101 2,-0.2 4,-2.0 3,-0.1 5,-0.4 0.845 110.6 51.6 -74.2 -37.0 -3.1 86.2 18.7 170 91 B K H X S+ 0 0 70 -4,-2.4 4,-2.6 2,-0.2 3,-0.2 0.993 112.8 47.1 -57.6 -53.6 -5.8 84.3 20.8 171 92 B A H < S+ 0 0 78 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.843 116.6 44.6 -53.1 -37.4 -3.5 84.6 23.8 172 93 B A H < S+ 0 0 67 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.862 130.8 11.3 -77.2 -37.8 -2.8 88.2 23.2 173 94 B F H < S+ 0 0 165 -4,-2.0 2,-0.2 -3,-0.2 -2,-0.2 0.555 114.1 65.8-124.2 -12.7 -6.2 89.7 22.4 174 95 B E S < S+ 0 0 119 -4,-2.6 -1,-0.1 -5,-0.4 -2,-0.1 -0.369 96.3 46.2-111.9 50.8 -8.9 87.1 23.2 175 96 B R 0 0 212 -2,-0.2 -3,-0.1 -3,-0.2 -4,-0.1 0.426 360.0 360.0-152.0 -68.3 -8.8 86.7 27.0 176 97 B N 0 0 203 -4,-0.1 -1,-0.1 0, 0.0 -4,-0.0 -0.202 360.0 360.0 -66.0 360.0 -8.5 89.4 29.7