==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 17-DEC-95 1FJL . COMPND 2 MOLECULE: PAIRED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.S.WILSON,B.GUENTHER,C.DESPLAN,J.KURIYAN . 181 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 66.3 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 . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 0 0 0 0 0 3 0 3 0 1 1 0 0 0 0 0 1 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 0 A K 0 0 175 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.8 10.9 106.9 15.4 2 1 A Q - 0 0 109 1,-0.0 92,-1.3 3,-0.0 2,-0.2 -0.367 360.0-177.3 -71.6 131.7 9.7 107.1 11.8 3 2 A R - 0 0 206 90,-0.2 2,-0.2 91,-0.1 3,-0.1 -0.636 44.4 -71.9-113.6 170.1 12.0 108.5 9.1 4 3 A R - 0 0 86 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.539 60.0-103.9 -67.1 132.3 11.3 109.1 5.4 5 4 A S - 0 0 103 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.236 48.2 -88.5 -51.9 150.5 11.1 105.8 3.5 6 5 A R - 0 0 238 1,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.366 41.9-128.1 -65.2 136.6 14.3 105.1 1.5 7 6 A T - 0 0 57 -3,-0.1 2,-0.6 -2,-0.1 -1,-0.1 -0.717 16.9-145.5 -88.3 139.0 14.0 106.6 -1.9 8 7 A T - 0 0 122 -2,-0.4 2,-0.3 0, 0.0 -2,-0.0 -0.934 9.3-149.0-108.4 123.9 14.7 104.2 -4.8 9 8 A F - 0 0 55 -2,-0.6 2,-0.1 4,-0.0 32,-0.0 -0.722 12.7-130.2 -92.7 139.6 16.5 105.6 -7.8 10 9 A S > - 0 0 50 -2,-0.3 4,-3.3 1,-0.1 5,-0.2 -0.481 28.0-107.7 -82.1 160.1 15.8 104.1 -11.3 11 10 A A H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.860 124.0 51.9 -55.7 -33.6 18.7 103.2 -13.6 12 11 A S H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 112.5 42.5 -68.0 -46.6 17.7 106.3 -15.7 13 12 A Q H > S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.890 115.2 51.7 -67.8 -40.0 17.8 108.6 -12.6 14 13 A L H X S+ 0 0 71 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.817 108.8 49.7 -66.1 -37.0 21.0 106.9 -11.4 15 14 A D H X S+ 0 0 79 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.902 112.3 48.0 -68.7 -40.4 22.7 107.4 -14.7 16 15 A E H X S+ 0 0 44 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.918 112.4 49.5 -65.0 -42.6 21.7 111.1 -14.8 17 16 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.907 112.4 46.0 -64.1 -44.8 22.9 111.6 -11.2 18 17 A E H X S+ 0 0 48 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.839 109.2 52.9 -70.0 -37.2 26.3 110.0 -11.7 19 18 A R H X S+ 0 0 162 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.851 111.7 48.6 -66.3 -30.6 27.0 111.8 -15.0 20 19 A A H X S+ 0 0 17 -4,-1.4 4,-3.7 2,-0.2 3,-0.4 0.933 108.7 52.8 -72.2 -41.6 26.3 115.0 -13.1 21 20 A F H < S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.879 106.9 53.1 -59.7 -39.6 28.6 113.9 -10.3 22 21 A E H < S+ 0 0 135 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.815 114.0 41.7 -64.4 -33.3 31.4 113.3 -12.8 23 22 A R H < S+ 0 0 89 -4,-1.2 2,-0.3 -3,-0.4 -2,-0.2 0.932 136.7 1.2 -79.0 -43.5 30.9 116.9 -14.2 24 23 A T < - 0 0 54 -4,-3.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.952 44.3-168.7-154.5 128.2 30.5 118.3 -10.6 25 24 A Q S S+ 0 0 73 -2,-0.3 29,-0.1 1,-0.2 -4,-0.1 0.576 95.2 46.6 -85.3 -14.2 30.6 117.0 -7.0 26 25 A Y S S- 0 0 152 -5,-0.1 -1,-0.2 28,-0.0 2,-0.1 -0.448 79.3-171.6-127.0 63.1 29.3 120.2 -5.6 27 26 A P - 0 0 4 0, 0.0 5,-0.0 0, 0.0 23,-0.0 -0.300 20.3-129.2 -58.3 124.6 26.3 121.1 -7.8 28 27 A D > - 0 0 54 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.029 34.1 -88.5 -65.9 179.7 25.0 124.5 -7.0 29 28 A I H > S+ 0 0 5 38,-2.1 4,-2.5 1,-0.2 5,-0.2 0.877 127.2 52.2 -60.8 -36.9 21.4 125.1 -6.4 30 29 A Y H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 110.7 47.8 -67.1 -44.7 20.6 125.7 -10.0 31 30 A T H > S+ 0 0 44 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.944 112.3 47.9 -59.4 -53.7 22.2 122.4 -11.1 32 31 A R H X S+ 0 0 26 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.912 113.0 49.4 -56.5 -41.0 20.4 120.4 -8.4 33 32 A E H X S+ 0 0 95 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.3 0.876 111.7 48.8 -66.6 -34.8 17.2 122.0 -9.4 34 33 A E H X S+ 0 0 51 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.952 110.8 50.0 -67.0 -49.2 17.9 121.2 -13.0 35 34 A L H X S+ 0 0 9 -4,-3.4 4,-2.7 1,-0.2 5,-0.3 0.900 106.4 57.0 -55.3 -42.5 18.7 117.7 -12.2 36 35 A A H X>S+ 0 0 14 -4,-2.6 4,-2.6 -5,-0.2 5,-0.7 0.928 107.5 47.8 -57.2 -44.9 15.5 117.5 -10.2 37 36 A Q H <5S+ 0 0 99 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.977 112.6 47.9 -59.1 -56.4 13.5 118.4 -13.3 38 37 A R H <5S+ 0 0 179 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.868 123.6 31.2 -52.6 -43.5 15.3 115.9 -15.6 39 38 A T H <5S- 0 0 12 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.703 98.4-127.2 -91.4 -24.6 14.9 113.0 -13.2 40 39 A N T <5 + 0 0 88 -4,-2.6 2,-0.2 1,-0.3 -3,-0.2 0.742 67.3 127.0 78.2 25.6 11.6 113.9 -11.4 41 40 A L < - 0 0 21 -5,-0.7 -1,-0.3 -6,-0.3 2,-0.2 -0.663 69.1-103.0-100.6 163.3 13.1 113.6 -8.0 42 41 A T > - 0 0 85 -2,-0.2 4,-1.5 1,-0.1 3,-0.3 -0.556 28.0-117.7 -83.2 159.1 12.7 116.5 -5.6 43 42 A E H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.804 113.1 65.3 -69.7 -21.7 15.8 118.6 -5.2 44 43 A A H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 103.4 45.4 -63.7 -42.8 15.9 117.7 -1.5 45 44 A R H > S+ 0 0 48 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.847 110.0 56.3 -67.7 -33.6 16.6 114.0 -2.4 46 45 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.930 105.9 49.3 -64.3 -48.3 19.2 115.2 -5.0 47 46 A Q H X S+ 0 0 57 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.945 112.5 48.1 -59.6 -41.0 21.2 117.1 -2.3 48 47 A V H X S+ 0 0 43 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.933 108.6 54.6 -65.6 -40.5 21.1 114.0 -0.1 49 48 A W H X S+ 0 0 19 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.921 109.0 47.5 -59.0 -46.7 22.2 111.8 -3.0 50 49 A F H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.902 110.3 53.3 -63.1 -37.4 25.3 114.0 -3.6 51 50 A Q H X S+ 0 0 87 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.957 114.0 40.6 -59.5 -54.8 26.1 114.0 0.1 52 51 A N H X S+ 0 0 95 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.859 113.0 56.8 -63.2 -33.8 26.1 110.3 0.3 53 52 A R H X S+ 0 0 28 -4,-2.6 4,-2.2 -5,-0.3 3,-0.3 0.937 106.2 48.2 -63.3 -46.4 27.8 110.1 -3.1 54 53 A R H X S+ 0 0 46 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.782 111.8 52.3 -63.3 -28.6 30.8 112.2 -1.9 55 54 A A H X S+ 0 0 37 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.2 0.806 106.4 50.8 -77.6 -33.6 30.9 110.0 1.2 56 55 A R H X S+ 0 0 114 -4,-1.7 4,-1.9 -3,-0.3 5,-0.2 0.915 110.8 51.9 -67.8 -41.4 31.1 106.8 -0.9 57 56 A L H X S+ 0 0 37 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.948 111.5 45.2 -60.1 -47.8 33.9 108.4 -2.8 58 57 A R H X S+ 0 0 143 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.903 112.4 50.5 -65.3 -40.0 35.8 109.2 0.4 59 58 A K H X S+ 0 0 58 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.845 109.4 51.3 -67.8 -33.6 35.3 105.8 2.0 60 59 A Q H X S+ 0 0 109 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.936 109.6 49.6 -70.6 -43.3 36.6 104.0 -1.1 61 60 A H H X S+ 0 0 109 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.941 112.6 44.9 -62.7 -47.5 39.7 106.0 -1.3 62 61 A T H < S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.887 112.3 56.3 -61.8 -39.9 40.7 105.5 2.3 63 62 A S H < S+ 0 0 88 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.957 111.3 38.2 -56.0 -58.5 39.8 101.8 2.0 64 63 A V H < 0 0 117 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.740 360.0 360.0 -71.7 -21.4 42.1 101.0 -0.9 65 64 A S < 0 0 148 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.573 360.0 360.0 -75.9 360.0 44.9 103.3 0.3 66 !* 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 67 1 B Q 0 0 149 0, 0.0 -38,-2.1 0, 0.0 -37,-0.2 0.000 360.0 360.0 360.0 127.4 25.7 129.1 -5.1 68 2 B R - 0 0 222 -40,-0.2 2,-0.1 1,-0.1 3,-0.1 -0.445 360.0 -93.9 -91.3 161.4 23.3 128.4 -2.2 69 3 B R - 0 0 62 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.450 59.2 -87.6 -69.7 153.1 19.5 128.5 -2.4 70 4 B S - 0 0 99 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.490 52.5 -96.1 -67.7 131.8 18.3 131.9 -1.2 71 5 B R - 0 0 234 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.140 37.7-125.2 -45.4 131.2 17.8 132.1 2.6 72 6 B T - 0 0 49 -3,-0.1 2,-0.6 38,-0.0 -1,-0.1 -0.491 15.8-145.1 -76.9 147.4 14.2 131.5 3.5 73 7 B T - 0 0 128 -2,-0.2 2,-0.3 0, 0.0 -1,-0.0 -0.958 14.4-149.7-117.1 107.6 12.7 134.3 5.6 74 8 B F - 0 0 53 -2,-0.6 2,-0.0 1,-0.1 -2,-0.0 -0.638 11.1-132.5 -77.5 134.2 10.3 132.8 8.1 75 9 B S > - 0 0 51 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.326 24.4-109.0 -77.7 165.2 7.3 135.0 9.1 76 10 B A H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.831 121.3 53.5 -64.9 -33.7 6.4 135.4 12.8 77 11 B S H > S+ 0 0 92 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.857 112.2 45.6 -66.7 -34.8 3.3 133.3 12.3 78 12 B Q H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.918 112.3 51.1 -69.3 -47.9 5.5 130.5 10.8 79 13 B L H X S+ 0 0 54 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.859 107.4 53.5 -59.7 -36.9 8.0 130.9 13.5 80 14 B D H X S+ 0 0 78 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.899 108.2 49.4 -65.9 -41.5 5.3 130.6 16.2 81 15 B E H X S+ 0 0 24 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.923 114.6 45.2 -62.9 -41.3 4.0 127.4 14.7 82 16 B L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.842 111.6 51.2 -71.2 -36.3 7.6 126.0 14.6 83 17 B E H X S+ 0 0 62 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.892 110.3 50.6 -68.8 -38.9 8.5 127.1 18.2 84 18 B R H X S+ 0 0 126 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.901 111.4 47.0 -64.9 -39.3 5.3 125.4 19.4 85 19 B A H X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 3,-0.5 0.887 108.0 57.4 -68.0 -35.4 6.2 122.2 17.7 86 20 B F H < S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.817 102.1 54.6 -65.6 -32.1 9.7 122.4 19.1 87 21 B E H < S+ 0 0 157 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.818 108.6 48.6 -70.2 -31.1 8.3 122.5 22.6 88 22 B R H < S- 0 0 168 -4,-1.0 2,-0.3 -3,-0.5 -2,-0.2 0.916 136.0 -12.5 -73.4 -48.2 6.4 119.2 21.9 89 23 B T < - 0 0 57 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.926 43.8-154.8-158.3 134.8 9.5 117.6 20.5 90 24 B Q S S+ 0 0 66 -2,-0.3 -4,-0.1 1,-0.3 29,-0.1 0.512 101.5 47.1 -80.0 -7.9 13.0 118.8 19.3 91 25 B Y S S- 0 0 127 -5,-0.1 -1,-0.3 28,-0.0 -5,-0.0 -0.549 78.6-177.1-133.9 67.5 13.1 115.7 17.1 92 26 B P - 0 0 3 0, 0.0 -6,-0.0 0, 0.0 23,-0.0 -0.310 25.1-120.1 -66.8 148.4 9.8 115.5 15.2 93 27 B D > - 0 0 37 1,-0.1 4,-2.3 -90,-0.1 5,-0.2 -0.175 34.1 -89.1 -80.0-178.2 9.4 112.5 12.9 94 28 B I H > S+ 0 0 5 -92,-1.3 4,-2.4 1,-0.2 5,-0.2 0.879 126.4 51.2 -58.2 -44.5 8.8 112.7 9.2 95 29 B Y H > S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 112.4 46.8 -61.3 -44.0 5.0 112.8 9.5 96 30 B T H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.854 112.9 49.2 -66.5 -37.7 5.2 115.7 12.0 97 31 B R H X S+ 0 0 20 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.885 113.4 46.6 -71.4 -33.9 7.7 117.6 9.7 98 32 B E H X S+ 0 0 76 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.814 109.9 52.7 -75.4 -32.9 5.5 117.1 6.7 99 33 B E H X S+ 0 0 69 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.911 111.7 47.5 -66.4 -43.1 2.4 118.2 8.5 100 34 B L H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 6,-0.2 0.902 109.4 52.2 -65.0 -45.4 4.2 121.3 9.6 101 35 B A H X>S+ 0 0 9 -4,-2.0 5,-2.0 1,-0.2 4,-0.8 0.934 111.7 47.1 -56.3 -45.6 5.5 122.0 6.1 102 36 B Q H ><5S+ 0 0 102 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.906 112.8 50.5 -64.1 -41.3 2.0 121.7 4.7 103 37 B R H 3<5S+ 0 0 169 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.831 118.9 35.2 -67.8 -32.6 0.7 124.0 7.5 104 38 B T H 3<5S- 0 0 12 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.323 105.8-116.6-104.4 5.4 3.3 126.8 7.0 105 39 B N T <<5S+ 0 0 116 -4,-0.8 2,-0.3 -3,-0.5 -3,-0.2 0.875 77.3 121.6 59.2 35.4 3.6 126.6 3.2 106 40 B L < - 0 0 28 -5,-2.0 2,-0.2 -6,-0.2 -1,-0.2 -0.763 67.7-101.5-120.2 166.7 7.3 125.5 3.5 107 41 B T >> - 0 0 80 -2,-0.3 4,-1.8 1,-0.1 3,-0.5 -0.632 28.1-117.5 -87.6 149.4 9.1 122.4 2.3 108 42 B E H 3> S+ 0 0 23 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.846 115.4 60.5 -54.1 -30.4 9.8 119.6 4.7 109 43 B A H 3> S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.924 102.7 47.1 -67.1 -42.4 13.5 120.3 3.9 110 44 B R H <> S+ 0 0 45 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.881 113.5 51.3 -65.8 -33.2 13.4 123.9 5.2 111 45 B I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.915 108.6 50.2 -67.8 -46.6 11.6 122.5 8.3 112 46 B Q H X S+ 0 0 45 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.949 111.8 47.4 -58.4 -48.0 14.2 119.9 8.8 113 47 B V H X S+ 0 0 45 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.863 108.5 55.8 -61.7 -37.2 17.0 122.5 8.6 114 48 B W H X S+ 0 0 29 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.941 110.4 44.9 -62.3 -45.4 15.1 124.9 11.0 115 49 B F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.925 110.6 53.9 -64.2 -40.7 15.0 122.2 13.7 116 50 B Q H X S+ 0 0 89 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.917 115.3 40.3 -58.9 -45.5 18.6 121.2 13.1 117 51 B N H X S+ 0 0 100 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.799 113.0 54.5 -73.8 -32.0 19.7 124.8 13.6 118 52 B R H X S+ 0 0 59 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.770 108.6 49.0 -72.4 -27.8 17.2 125.3 16.5 119 53 B R H X S+ 0 0 31 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.870 109.7 53.9 -76.8 -35.9 18.8 122.2 18.2 120 54 B A H < S+ 0 0 45 -4,-1.6 3,-0.3 -5,-0.2 -2,-0.2 0.988 109.5 44.6 -58.6 -64.8 22.2 123.7 17.7 121 55 B R H < S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.867 114.1 50.7 -45.6 -49.8 21.5 127.1 19.3 122 56 B L H < 0 0 92 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.915 360.0 360.0 -58.8 -45.2 19.7 125.4 22.2 123 57 B R < 0 0 197 -4,-2.5 -1,-0.2 -3,-0.3 -2,-0.2 0.853 360.0 360.0 -65.1 360.0 22.7 123.1 22.7 124 !* 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 0.0 125 0 C K 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-111.5 24.3 77.7 16.0 126 1 C Q - 0 0 191 1,-0.1 2,-0.3 3,-0.0 3,-0.1 -0.272 360.0-145.2 -60.5 144.9 26.8 80.1 14.5 127 2 C R - 0 0 219 1,-0.1 3,-0.1 3,-0.0 -1,-0.1 -0.684 32.1 -85.9-105.6 167.4 26.8 80.4 10.7 128 3 C R - 0 0 171 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.394 60.2 -86.6 -70.6 151.6 29.8 80.9 8.6 129 4 C S - 0 0 105 1,-0.1 -1,-0.1 -3,-0.1 -3,-0.0 -0.357 54.5 -94.5 -58.1 139.7 30.7 84.6 8.2 130 5 C R - 0 0 231 -3,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.342 39.3-126.4 -59.5 130.4 28.9 86.2 5.3 131 6 C T - 0 0 45 -3,-0.1 2,-0.6 38,-0.0 -1,-0.1 -0.694 15.8-156.3 -80.8 133.8 31.0 86.2 2.2 132 7 C T - 0 0 123 -2,-0.4 2,-0.4 0, 0.0 -2,-0.0 -0.971 11.9-152.3-113.4 113.8 31.5 89.5 0.5 133 8 C F - 0 0 51 -2,-0.6 2,-0.0 1,-0.0 3,-0.0 -0.757 15.3-125.0 -86.2 137.7 32.3 89.0 -3.2 134 9 C S > - 0 0 56 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.348 23.8-111.4 -74.8 167.1 34.4 91.7 -4.9 135 10 C A H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.898 121.9 56.5 -65.1 -38.2 33.0 93.3 -8.1 136 11 C S H > S+ 0 0 97 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.943 113.5 41.5 -57.0 -43.7 35.7 91.6 -10.0 137 12 C Q H > S+ 0 0 31 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.886 110.6 54.0 -69.2 -49.0 34.4 88.3 -8.6 138 13 C L H X S+ 0 0 59 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.735 108.1 52.1 -61.5 -24.9 30.7 89.0 -9.0 139 14 C D H X S+ 0 0 86 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.847 103.4 55.6 -77.6 -38.3 31.2 89.8 -12.7 140 15 C E H X S+ 0 0 51 -4,-1.2 4,-1.1 1,-0.2 -2,-0.2 0.874 111.7 46.8 -62.4 -29.1 33.0 86.5 -13.3 141 16 C L H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.749 110.5 51.6 -83.3 -28.6 29.9 84.9 -11.9 142 17 C E H X S+ 0 0 36 -4,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.912 107.2 49.8 -76.4 -43.2 27.5 87.1 -14.0 143 18 C R H X S+ 0 0 127 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.925 115.6 49.2 -58.5 -37.0 29.2 86.4 -17.3 144 19 C A H >X S+ 0 0 16 -4,-1.1 4,-2.2 -5,-0.3 3,-0.7 0.922 110.0 46.7 -64.1 -53.1 28.9 82.7 -16.1 145 20 C F H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.872 105.9 62.4 -60.0 -36.0 25.2 82.9 -15.1 146 21 C E H 3< S+ 0 0 117 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.841 109.6 39.9 -61.3 -32.3 24.6 84.6 -18.5 147 22 C R H << S+ 0 0 229 -4,-1.0 2,-0.3 -3,-0.7 -1,-0.2 0.837 135.7 3.7 -85.9 -32.0 25.8 81.5 -20.2 148 23 C T < - 0 0 52 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.859 47.2-162.2-159.2 117.8 24.1 79.0 -17.9 149 24 C Q S S+ 0 0 39 -2,-0.3 29,-0.1 1,-0.3 -4,-0.1 0.506 98.3 44.6 -75.2 -8.1 21.8 79.4 -14.9 150 25 C Y S S- 0 0 169 -5,-0.1 -1,-0.3 28,-0.0 2,-0.1 -0.597 82.3-169.1-135.5 75.4 22.6 75.8 -13.9 151 26 C P - 0 0 6 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.364 20.8-120.7 -68.4 140.8 26.4 75.4 -14.3 152 27 C D >> - 0 0 95 1,-0.1 4,-2.7 -2,-0.1 3,-0.7 -0.389 32.1 -95.3 -78.2 162.9 27.7 71.8 -14.0 153 28 C I H 3> S+ 0 0 80 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.844 125.5 50.2 -42.6 -47.0 30.2 70.7 -11.4 154 29 C Y H 3> S+ 0 0 157 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.907 112.5 49.0 -60.4 -43.6 33.3 71.2 -13.8 155 30 C T H X> S+ 0 0 46 -3,-0.7 4,-2.5 1,-0.2 3,-0.9 0.981 111.1 48.1 -61.8 -52.2 32.0 74.6 -14.6 156 31 C R H 3X S+ 0 0 39 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.829 111.9 50.0 -58.5 -32.1 31.5 75.5 -10.9 157 32 C E H 3X S+ 0 0 107 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.3 0.761 108.1 53.5 -78.1 -25.6 35.0 74.3 -10.1 158 33 C E H S+ 0 0 7 -4,-2.3 5,-1.7 1,-0.2 4,-1.4 0.948 110.0 47.7 -56.7 -49.7 36.0 78.6 -8.1 161 36 C Q H <5S+ 0 0 134 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.854 114.9 47.7 -61.0 -34.6 39.5 78.2 -9.2 162 37 C R H <5S+ 0 0 145 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.791 118.9 35.9 -76.9 -35.0 39.3 81.5 -11.1 163 38 C T H <5S- 0 0 13 -4,-2.6 -2,-0.2 -3,-0.2 -1,-0.2 0.473 106.5-124.1 -97.7 -1.2 37.7 83.7 -8.4 164 39 C N T <5S+ 0 0 144 -4,-1.4 2,-0.2 -5,-0.3 -3,-0.2 0.937 71.9 121.2 56.1 46.2 39.7 81.9 -5.7 165 40 C L S - 0 0 78 -2,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.679 26.8-123.5 -93.9 153.2 35.2 77.5 -2.9 167 42 C E H > S+ 0 0 44 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.819 113.5 64.4 -63.7 -25.3 32.9 75.6 -5.3 168 43 C A H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 102.5 43.6 -64.1 -43.9 30.6 75.5 -2.3 169 44 C R H > S+ 0 0 57 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.940 113.5 54.6 -65.5 -40.2 30.2 79.3 -2.2 170 45 C I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.941 106.7 49.8 -56.3 -48.3 29.8 79.2 -6.0 171 46 C Q H X S+ 0 0 74 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.869 111.8 47.4 -60.8 -40.4 26.9 76.7 -5.8 172 47 C V H X S+ 0 0 48 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.908 108.2 56.5 -68.8 -42.1 25.1 78.7 -3.1 173 48 C W H X S+ 0 0 23 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.947 109.1 45.3 -54.7 -51.8 25.5 81.9 -5.2 174 49 C F H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.861 110.9 54.6 -60.9 -33.3 23.9 80.4 -8.2 175 50 C Q H X S+ 0 0 88 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.942 114.9 38.8 -65.3 -45.1 21.2 79.0 -6.0 176 51 C N H X S+ 0 0 99 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.798 113.2 55.9 -73.6 -31.5 20.5 82.5 -4.7 177 52 C R H X S+ 0 0 36 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.909 111.5 44.5 -64.6 -45.3 21.0 84.1 -8.2 178 53 C R H X S+ 0 0 63 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.904 107.7 59.1 -66.6 -40.4 18.3 81.8 -9.5 179 54 C A H X S+ 0 0 52 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.869 107.1 47.5 -57.6 -37.0 16.2 82.6 -6.5 180 55 C R H < S+ 0 0 155 -4,-1.6 3,-0.3 2,-0.2 -2,-0.2 0.995 110.3 50.4 -65.8 -58.9 16.3 86.2 -7.5 181 56 C L H < S+ 0 0 119 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.818 115.8 43.6 -46.1 -39.0 15.4 85.6 -11.1 182 57 C R H < 0 0 88 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.877 360.0 360.0 -78.2 -36.1 12.5 83.5 -10.1 183 58 C K < 0 0 144 -4,-2.1 -2,-0.2 -3,-0.3 -3,-0.2 0.982 360.0 360.0 -65.3 360.0 11.3 85.9 -7.3