==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 12-NOV-01 1KD9 . COMPND 2 MOLECULE: GCN4 ACID BASE HETERODIMER ACID-D12LA16L; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.E.KEATING,V.N.MALASHKEVICH,B.TIDOR,P.S.KIM . 208 6 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 89.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 88.0 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 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 1 A E > 0 0 116 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -73.1 68.8 7.0 73.2 2 2 A V H > + 0 0 70 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.850 360.0 45.5 -40.8 -52.0 69.0 7.7 77.0 3 3 A K H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.933 113.2 52.0 -59.9 -44.4 65.2 8.4 77.3 4 4 A Q H > S+ 0 0 59 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.850 111.1 46.6 -59.0 -40.7 64.5 5.3 75.2 5 5 A L H X S+ 0 0 22 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.789 109.2 53.0 -74.7 -29.3 66.7 3.1 77.4 6 6 A E H X S+ 0 0 41 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.884 110.9 47.8 -72.6 -38.6 65.2 4.3 80.7 7 7 A A H X S+ 0 0 40 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.960 112.3 49.8 -64.5 -48.7 61.8 3.6 79.4 8 8 A E H X S+ 0 0 69 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.945 111.8 47.8 -54.0 -50.4 63.0 0.1 78.3 9 9 A V H X S+ 0 0 16 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.916 112.2 50.5 -57.5 -43.4 64.6 -0.4 81.8 10 10 A E H X S+ 0 0 128 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.924 111.8 46.9 -60.9 -45.0 61.4 0.7 83.4 11 11 A E H X S+ 0 0 60 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.798 113.0 47.9 -68.1 -32.1 59.3 -1.6 81.2 12 12 A L H X S+ 0 0 17 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.917 109.5 54.0 -73.7 -42.2 61.5 -4.7 81.8 13 13 A E H X S+ 0 0 58 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.866 108.1 49.8 -59.5 -37.2 61.6 -4.0 85.6 14 14 A S H X S+ 0 0 10 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.937 109.5 50.0 -66.8 -47.4 57.8 -4.0 85.7 15 15 A E H X S+ 0 0 65 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.849 109.8 52.4 -60.5 -32.3 57.5 -7.2 83.8 16 16 A L H X S+ 0 0 9 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.888 104.1 56.5 -68.9 -41.0 60.0 -8.8 86.2 17 17 A W H X S+ 0 0 127 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.926 107.7 47.7 -57.3 -44.2 58.0 -7.7 89.2 18 18 A H H X S+ 0 0 25 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.914 113.0 48.1 -64.9 -41.0 55.0 -9.5 88.0 19 19 A L H X S+ 0 0 16 -4,-1.7 4,-3.4 2,-0.2 -2,-0.2 0.885 109.1 53.1 -66.7 -40.8 57.0 -12.7 87.2 20 20 A E H X S+ 0 0 82 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.898 110.8 47.5 -62.8 -36.7 58.6 -12.6 90.7 21 21 A N H X S+ 0 0 32 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.941 113.8 48.0 -69.1 -42.4 55.2 -12.4 92.2 22 22 A E H X S+ 0 0 33 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.924 109.9 51.2 -63.3 -43.1 54.0 -15.2 90.0 23 23 A V H X S+ 0 0 11 -4,-3.4 4,-2.8 1,-0.2 5,-0.3 0.971 109.9 50.3 -57.3 -52.6 57.0 -17.4 90.8 24 24 A A H X S+ 0 0 43 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.879 113.8 45.0 -54.4 -41.8 56.4 -16.9 94.6 25 25 A R H X S+ 0 0 53 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.955 113.1 49.7 -65.5 -52.0 52.8 -17.8 94.2 26 26 A L H X S+ 0 0 18 -4,-3.2 4,-3.2 1,-0.2 -2,-0.2 0.892 107.4 54.3 -56.8 -42.0 53.5 -20.9 92.0 27 27 A E H X S+ 0 0 90 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.906 111.8 45.1 -61.4 -39.0 56.1 -22.2 94.4 28 28 A K H X S+ 0 0 137 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.890 109.8 53.2 -73.4 -35.3 53.7 -22.1 97.2 29 29 A E H X S+ 0 0 90 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.954 112.8 47.5 -61.5 -40.9 50.9 -23.6 95.1 30 30 A N H X S+ 0 0 22 -4,-3.2 4,-2.0 1,-0.2 5,-0.3 0.941 107.2 53.7 -64.4 -48.2 53.5 -26.4 94.4 31 31 A A H X S+ 0 0 59 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.890 112.0 46.3 -55.7 -38.6 54.5 -26.8 98.1 32 32 A E H < S+ 0 0 119 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.966 110.0 51.0 -67.8 -51.7 50.9 -27.4 99.1 33 33 A a H < S+ 0 0 52 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.809 120.0 37.8 -56.9 -30.0 50.0 -29.8 96.4 34 34 A E H < 0 0 122 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.745 360.0 360.0 -94.4 -25.2 53.0 -31.9 97.2 35 35 A A < 0 0 138 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.778 360.0 360.0 -72.5 360.0 53.1 -31.6 101.0 36 !* 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 37 1 B K > 0 0 182 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -71.6 75.6 6.6 80.4 38 2 B V H > + 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.804 360.0 52.9 -38.9 -36.1 74.0 4.9 77.4 39 3 B K H > S+ 0 0 75 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.995 106.7 49.1 -65.0 -60.0 76.5 2.1 78.0 40 4 B Q H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.849 115.6 46.3 -45.6 -42.7 75.6 1.6 81.7 41 5 B L H X S+ 0 0 32 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.969 107.5 53.3 -66.8 -55.6 72.0 1.5 80.7 42 6 B K H X S+ 0 0 59 -4,-2.6 4,-2.5 1,-0.3 -2,-0.2 0.918 109.3 54.2 -44.9 -43.2 72.4 -0.9 77.8 43 7 B A H X S+ 0 0 58 -4,-3.0 4,-2.4 2,-0.2 -1,-0.3 0.928 109.3 44.2 -58.6 -48.5 74.1 -3.0 80.4 44 8 B K H X S+ 0 0 76 -4,-1.8 4,-2.7 -3,-0.3 5,-0.2 0.951 110.8 56.0 -62.4 -46.1 71.1 -3.0 82.8 45 9 B V H X S+ 0 0 5 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.899 110.2 45.5 -51.2 -45.4 68.8 -3.6 79.9 46 10 B E H X S+ 0 0 116 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.921 111.2 50.5 -67.5 -44.0 70.7 -6.7 79.0 47 11 B E H X S+ 0 0 130 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.862 111.9 50.1 -61.9 -33.4 70.9 -8.0 82.5 48 12 B L H X S+ 0 0 11 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.914 106.9 53.6 -71.9 -43.8 67.2 -7.5 82.9 49 13 B K H X S+ 0 0 90 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.873 110.1 47.4 -57.0 -42.3 66.4 -9.3 79.6 50 14 B S H X S+ 0 0 53 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.884 111.4 49.7 -69.0 -41.2 68.3 -12.4 80.7 51 15 B K H X S+ 0 0 94 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.865 109.5 53.3 -67.2 -31.3 66.7 -12.5 84.1 52 16 B L H X S+ 0 0 20 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.914 108.7 48.7 -66.3 -43.8 63.3 -12.2 82.5 53 17 B W H X S+ 0 0 166 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.908 110.6 50.4 -64.9 -41.1 64.0 -15.1 80.3 54 18 B H H X S+ 0 0 133 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.886 111.9 49.2 -61.8 -41.1 65.2 -17.3 83.2 55 19 B L H X S+ 0 0 19 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.876 108.9 50.1 -70.8 -37.2 62.0 -16.3 85.1 56 20 B K H X S+ 0 0 93 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.887 111.6 50.4 -68.4 -33.6 59.6 -17.2 82.3 57 21 B N H X S+ 0 0 78 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.921 111.4 47.3 -68.4 -39.2 61.4 -20.5 82.0 58 22 B K H X S+ 0 0 66 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.872 112.7 49.9 -66.3 -38.6 61.0 -21.1 85.7 59 23 B V H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.921 107.5 52.8 -66.9 -44.7 57.3 -20.1 85.6 60 24 B A H X S+ 0 0 60 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.899 111.7 48.9 -59.5 -35.4 56.6 -22.4 82.7 61 25 B R H X S+ 0 0 125 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.894 110.6 47.9 -72.0 -41.2 58.1 -25.2 84.7 62 26 B L H X S+ 0 0 10 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.897 110.9 51.0 -68.3 -37.2 56.2 -24.5 87.9 63 27 B K H X S+ 0 0 107 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.939 113.6 45.6 -63.5 -44.3 52.9 -24.3 86.1 64 28 B K H X S+ 0 0 129 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.922 115.9 45.7 -66.9 -42.8 53.6 -27.7 84.4 65 29 B K H X S+ 0 0 89 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.873 114.2 48.8 -65.9 -39.7 54.8 -29.3 87.7 66 30 B N H X S+ 0 0 6 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.857 110.3 51.1 -69.4 -33.0 51.8 -27.8 89.5 67 31 B A H X S+ 0 0 56 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.984 109.9 51.8 -64.5 -51.8 49.5 -29.1 86.8 68 32 B E H < S+ 0 0 115 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.887 113.5 41.2 -50.2 -51.5 51.0 -32.5 87.2 69 33 B a H < S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.950 110.2 58.0 -65.7 -47.8 50.6 -32.7 90.9 70 34 B K H < 0 0 78 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.941 360.0 360.0 -44.9 -63.3 47.1 -31.3 90.9 71 35 B A < 0 0 136 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.380 360.0 360.0 -96.0 360.0 45.8 -34.0 88.6 72 !* 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 73 1 C E > 0 0 97 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -40.3 56.1 34.4 33.5 74 2 C V H > + 0 0 47 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.875 360.0 48.7 -62.4 -36.8 56.8 31.0 35.1 75 3 C K H > S+ 0 0 169 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.844 111.9 49.5 -72.2 -31.2 56.1 29.3 31.8 76 4 C Q H > S+ 0 0 158 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.868 110.9 49.2 -72.9 -39.4 58.4 31.7 29.9 77 5 C L H X S+ 0 0 16 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.786 109.0 53.6 -70.8 -26.3 61.1 31.2 32.5 78 6 C E H X S+ 0 0 102 -4,-1.4 4,-1.5 -5,-0.2 -1,-0.2 0.827 108.5 48.9 -77.3 -27.4 60.7 27.4 32.1 79 7 C A H X S+ 0 0 50 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.838 110.2 52.4 -75.0 -35.2 61.2 27.7 28.3 80 8 C E H X S+ 0 0 59 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.902 107.4 51.6 -67.4 -42.2 64.3 29.9 28.9 81 9 C V H X S+ 0 0 18 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.914 110.3 48.9 -60.6 -42.0 65.8 27.2 31.2 82 10 C E H X S+ 0 0 108 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.907 110.4 50.2 -68.0 -38.1 65.2 24.6 28.5 83 11 C E H X S+ 0 0 137 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.909 113.0 46.1 -66.6 -40.8 66.8 26.6 25.8 84 12 C L H X S+ 0 0 14 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.913 113.4 48.6 -68.1 -41.8 69.8 27.3 27.9 85 13 C E H X S+ 0 0 84 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.926 113.2 49.1 -64.3 -39.1 70.1 23.6 29.0 86 14 C S H X S+ 0 0 40 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.921 111.4 48.2 -65.0 -39.9 69.8 22.6 25.4 87 15 C E H X S+ 0 0 86 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.907 111.1 51.0 -66.9 -41.0 72.4 25.2 24.3 88 16 C L H X S+ 0 0 9 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.914 109.5 51.0 -60.8 -43.0 74.8 24.0 27.0 89 17 C W H X S+ 0 0 148 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.919 110.1 48.4 -63.0 -43.2 74.4 20.4 26.0 90 18 C H H X S+ 0 0 110 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.873 111.9 49.9 -63.5 -40.7 75.1 21.2 22.4 91 19 C L H X S+ 0 0 24 -4,-2.2 4,-2.8 2,-0.2 3,-0.3 0.959 109.6 51.5 -62.3 -50.3 78.2 23.2 23.4 92 20 C E H X S+ 0 0 93 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.893 110.9 47.8 -54.7 -41.2 79.4 20.3 25.5 93 21 C N H X S+ 0 0 71 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.840 109.9 52.3 -70.0 -31.2 79.0 17.9 22.6 94 22 C E H X S+ 0 0 50 -4,-1.7 4,-2.7 -3,-0.3 5,-0.3 0.899 108.7 52.9 -67.5 -39.8 80.9 20.3 20.3 95 23 C V H X S+ 0 0 10 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.970 109.6 46.2 -59.7 -53.4 83.6 20.3 22.9 96 24 C A H X S+ 0 0 53 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.925 113.5 50.4 -56.2 -45.5 83.9 16.5 22.9 97 25 C R H X S+ 0 0 132 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.906 111.2 46.1 -59.2 -47.8 83.9 16.5 19.1 98 26 C L H X S+ 0 0 6 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.820 111.6 53.3 -67.8 -30.8 86.7 19.1 18.7 99 27 C E H X S+ 0 0 94 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.903 110.4 46.4 -70.8 -39.6 88.8 17.4 21.3 100 28 C K H X S+ 0 0 161 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.909 117.0 44.3 -69.6 -39.2 88.5 14.1 19.5 101 29 C E H X S+ 0 0 41 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.915 111.0 51.8 -71.6 -44.2 89.3 15.7 16.2 102 30 C N H X S+ 0 0 19 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.922 112.3 48.0 -58.1 -42.4 92.2 17.9 17.5 103 31 C A H X S+ 0 0 61 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.928 111.7 49.6 -62.6 -44.7 93.7 14.7 19.0 104 32 C E H < S+ 0 0 78 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.875 109.2 51.7 -61.6 -39.9 93.2 12.8 15.7 105 33 C b H < S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 112.7 45.6 -65.5 -36.7 94.8 15.7 13.7 106 34 C E H < 0 0 94 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.762 360.0 360.0 -76.9 -25.4 97.8 15.5 16.0 107 35 C A < 0 0 135 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.1 0.987 360.0 360.0 -69.2 360.0 97.8 11.7 15.8 108 !* 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 0.0 109 1 D K > 0 0 144 0, 0.0 4,-3.1 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0 -50.1 59.1 30.1 41.7 110 2 D V H > + 0 0 54 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.967 360.0 49.2 -59.1 -53.7 59.9 33.2 39.6 111 3 D K H > S+ 0 0 84 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.870 116.7 44.6 -54.1 -38.9 62.7 34.2 42.0 112 4 D Q H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.972 113.2 45.1 -70.8 -58.6 64.1 30.7 41.7 113 5 D L H X S+ 0 0 14 -4,-3.1 4,-2.5 1,-0.3 5,-0.2 0.834 109.9 58.5 -56.1 -34.6 63.9 30.0 38.0 114 6 D K H X S+ 0 0 118 -4,-2.6 4,-2.1 -5,-0.4 -1,-0.3 0.934 108.5 44.2 -62.3 -42.1 65.3 33.5 37.5 115 7 D A H X S+ 0 0 57 -4,-1.3 4,-2.9 -3,-0.4 -2,-0.2 0.837 110.7 56.8 -69.1 -32.8 68.4 32.5 39.5 116 8 D K H X S+ 0 0 69 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.915 107.2 46.8 -62.6 -46.1 68.4 29.2 37.6 117 9 D V H X S+ 0 0 1 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.938 112.5 50.4 -61.7 -48.3 68.6 31.0 34.2 118 10 D E H X S+ 0 0 115 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.941 110.4 49.5 -59.3 -45.5 71.4 33.3 35.5 119 11 D E H X S+ 0 0 121 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.915 113.7 46.1 -60.9 -39.1 73.3 30.3 36.8 120 12 D L H < S+ 0 0 4 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.900 108.5 55.4 -70.6 -39.6 72.9 28.6 33.4 121 13 D K H >X S+ 0 0 78 -4,-3.2 3,-2.2 1,-0.2 4,-0.6 0.958 103.6 57.0 -57.6 -45.3 73.8 31.7 31.5 122 14 D S H >X S+ 0 0 81 -4,-2.7 3,-0.9 1,-0.3 4,-0.8 0.900 98.0 59.2 -54.3 -41.5 77.1 31.8 33.5 123 15 D K H 3X S+ 0 0 109 -4,-1.5 4,-1.6 1,-0.2 -1,-0.3 0.630 93.2 74.5 -61.8 -10.9 78.1 28.3 32.3 124 16 D L H <> S+ 0 0 23 -3,-2.2 4,-2.8 -4,-0.5 5,-0.3 0.941 87.0 54.8 -68.9 -46.6 78.0 29.7 28.8 125 17 D W H 0 0 149 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -42.3 38.5 -15.2 99.6 145 2 E V H > + 0 0 31 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.920 360.0 47.4 -59.4 -44.1 41.7 -16.7 98.2 146 3 E K H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 112.1 49.8 -64.9 -44.4 39.9 -17.9 95.0 147 4 E Q H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 111.2 48.9 -65.3 -36.7 38.2 -14.6 94.4 148 5 E L H X S+ 0 0 14 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.917 109.0 52.1 -69.5 -38.4 41.5 -12.7 94.8 149 6 E K H X S+ 0 0 81 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.891 110.5 50.1 -59.1 -40.9 43.4 -15.0 92.4 150 7 E A H X S+ 0 0 58 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.924 109.5 51.0 -62.5 -46.5 40.6 -14.4 89.9 151 8 E K H X S+ 0 0 66 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.882 106.5 54.1 -58.8 -41.2 41.0 -10.7 90.5 152 9 E V H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.926 109.3 48.7 -59.9 -44.0 44.7 -10.9 89.9 153 10 E E H X S+ 0 0 104 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.933 110.5 50.0 -62.0 -46.9 44.0 -12.6 86.5 154 11 E E H X S+ 0 0 112 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.898 113.5 45.2 -61.1 -38.9 41.5 -10.0 85.4 155 12 E L H X S+ 0 0 7 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.842 108.4 58.0 -76.1 -29.9 43.9 -7.1 86.3 156 13 E K H X S+ 0 0 45 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.901 109.3 44.7 -65.7 -33.8 46.7 -8.9 84.6 157 14 E S H X S+ 0 0 65 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.918 112.0 51.2 -75.3 -39.7 44.7 -9.0 81.3 158 15 E K H X S+ 0 0 105 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.925 110.0 51.6 -62.6 -37.6 43.7 -5.4 81.7 159 16 E L H X S+ 0 0 6 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.921 106.0 53.3 -63.4 -47.3 47.3 -4.6 82.3 160 17 E W H X S+ 0 0 150 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.920 108.9 50.4 -54.4 -42.1 48.4 -6.4 79.1 161 18 E H H >X S+ 0 0 107 -4,-2.2 4,-2.4 1,-0.2 3,-0.7 0.983 110.2 48.7 -64.6 -49.9 45.9 -4.4 77.0 162 19 E L H 3X S+ 0 0 21 -4,-2.3 4,-2.4 1,-0.3 -1,-0.2 0.796 108.8 53.3 -57.6 -35.8 47.0 -1.0 78.4 163 20 E K H 3X S+ 0 0 62 -4,-2.1 4,-2.3 2,-0.2 -1,-0.3 0.834 107.9 50.9 -68.0 -35.7 50.6 -1.8 77.8 164 21 E N H 0 0 121 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -33.4 47.7 -15.9 101.8 180 2 F V H > + 0 0 53 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.961 360.0 51.0 -66.5 -50.4 44.9 -13.3 101.7 181 3 F K H > S+ 0 0 169 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 111.9 47.5 -52.8 -46.8 47.2 -10.5 102.8 182 4 F Q H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 111.9 48.0 -65.1 -48.4 49.7 -11.4 100.1 183 5 F L H X S+ 0 0 17 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.897 110.4 53.6 -57.6 -40.0 47.0 -11.6 97.3 184 6 F E H X S+ 0 0 74 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.896 107.6 50.2 -64.0 -38.3 45.6 -8.3 98.5 185 7 F A H X S+ 0 0 42 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.885 110.3 50.7 -66.4 -38.2 49.0 -6.6 98.2 186 8 F E H X S+ 0 0 13 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.922 109.6 49.9 -64.1 -44.3 49.3 -8.1 94.7 187 9 F V H X S+ 0 0 14 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.932 111.7 48.8 -58.2 -45.7 45.9 -6.7 93.7 188 10 F E H X S+ 0 0 119 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.889 109.9 51.1 -63.9 -38.9 46.8 -3.3 95.0 189 11 F E H X S+ 0 0 83 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.882 111.7 47.1 -66.1 -40.7 50.1 -3.3 93.2 190 12 F L H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.931 111.0 52.5 -67.3 -43.9 48.4 -4.2 89.9 191 13 F E H X S+ 0 0 87 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.910 107.6 50.4 -58.6 -42.9 45.7 -1.5 90.5 192 14 F S H X S+ 0 0 85 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.912 111.3 48.9 -66.2 -35.3 48.3 1.2 91.0 193 15 F E H X S+ 0 0 28 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.938 108.4 54.1 -68.1 -39.7 50.1 0.2 87.8 194 16 F L H X S+ 0 0 14 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.897 110.3 46.4 -54.7 -47.2 46.8 0.2 85.9 195 17 F W H X S+ 0 0 162 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.897 111.5 52.7 -65.4 -39.8 46.1 3.9 87.1 196 18 F H H X S+ 0 0 87 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.941 113.0 42.9 -62.0 -47.6 49.7 4.8 86.2 197 19 F L H X S+ 0 0 16 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.859 110.0 56.4 -68.4 -35.2 49.3 3.4 82.6 198 20 F E H X S+ 0 0 86 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.926 110.8 45.3 -60.3 -39.9 45.8 4.9 82.2 199 21 F N H X S+ 0 0 67 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.882 110.1 53.4 -69.3 -38.3 47.5 8.2 83.0 200 22 F E H X S+ 0 0 42 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.862 106.2 53.8 -63.1 -36.9 50.3 7.5 80.6 201 23 F V H X S+ 0 0 10 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.953 110.0 48.4 -61.8 -49.2 47.7 6.8 77.8 202 24 F A H X S+ 0 0 53 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.932 111.9 48.4 -57.6 -46.9 46.2 10.2 78.5 203 25 F R H X S+ 0 0 137 -4,-2.5 4,-2.8 1,-0.2 3,-0.3 0.956 113.0 46.6 -59.9 -51.7 49.6 11.9 78.4 204 26 F L H X S+ 0 0 12 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.792 110.1 53.7 -64.3 -26.7 50.6 10.2 75.1 205 27 F E H X S+ 0 0 88 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.846 110.2 48.3 -74.4 -33.6 47.3 11.0 73.5 206 28 F K H X S+ 0 0 167 -4,-1.9 4,-2.4 -3,-0.3 -2,-0.2 0.970 113.1 46.3 -68.4 -54.2 47.8 14.7 74.4 207 29 F E H X S+ 0 0 37 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.915 113.3 50.9 -55.1 -39.0 51.3 14.7 73.0 208 30 F N H X S+ 0 0 26 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.948 107.5 50.7 -66.4 -45.5 50.1 12.9 69.9 209 31 F A H X S+ 0 0 59 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 112.2 51.2 -52.8 -45.5 47.3 15.3 69.3 210 32 F E H < S+ 0 0 140 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.932 110.9 43.3 -59.1 -54.0 49.9 18.1 69.6 211 33 F c H < S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 113.1 57.2 -63.6 -30.4 52.5 16.7 67.2 212 34 F E H < 0 0 67 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.943 360.0 360.0 -65.9 -50.8 49.6 16.0 64.9 213 35 F A < 0 0 131 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.588 360.0 360.0 -59.6 360.0 48.2 19.5 64.7