==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 20-OCT-10 3PBJ . COMPND 2 MOLECULE: COIL SER L9L-PEN L23H; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.L.ZASTROW,A.F.A.PEACOCK,J.A.STUCKEY,V.L.PECORARO . 171 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 84.8 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 . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 79.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 0 0 1 3 1 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 1 A E > 0 0 148 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 78.0 20.3 -1.7 -13.3 2 2 A W H > + 0 0 82 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.950 360.0 52.7 -54.5 -54.6 17.7 -4.5 -13.0 3 3 A E H > S+ 0 0 160 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.875 113.5 43.3 -49.8 -50.0 19.9 -6.4 -10.5 4 4 A A H > S+ 0 0 54 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.823 118.4 44.1 -65.5 -39.9 20.1 -3.3 -8.1 5 5 A L H X S+ 0 0 7 -4,-2.1 4,-2.5 -3,-0.3 -2,-0.2 0.831 112.2 50.5 -77.2 -38.6 16.4 -2.3 -8.5 6 6 A E H X S+ 0 0 74 -4,-3.3 4,-2.1 -5,-0.2 -2,-0.2 0.838 108.5 54.4 -69.9 -29.1 15.1 -5.9 -8.1 7 7 A K H X S+ 0 0 166 -4,-1.6 4,-1.9 -5,-0.3 -2,-0.2 0.913 109.4 48.8 -67.2 -42.0 17.2 -6.2 -4.9 8 8 A K H X S+ 0 0 102 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.955 112.9 44.8 -63.9 -54.0 15.5 -2.9 -3.6 9 9 A X H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.888 110.2 55.4 -63.9 -33.6 12.0 -4.1 -4.4 10 10 A A H X S+ 0 0 40 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.934 111.3 44.3 -61.4 -45.3 12.6 -7.6 -2.9 11 11 A A H X S+ 0 0 51 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.832 113.8 51.2 -67.0 -33.0 13.8 -6.0 0.5 12 12 A L H X S+ 0 0 11 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.929 109.1 50.4 -67.8 -45.5 10.8 -3.6 0.3 13 13 A E H X S+ 0 0 60 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.839 112.0 47.2 -59.1 -44.3 8.4 -6.5 -0.2 14 14 A S H X S+ 0 0 68 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.908 110.1 51.6 -69.3 -43.9 9.8 -8.5 2.8 15 15 A K H X S+ 0 0 97 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.908 112.4 48.1 -58.9 -39.2 9.7 -5.5 5.1 16 16 A L H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.931 110.9 49.4 -67.2 -44.3 6.0 -5.0 4.1 17 17 A Q H X S+ 0 0 97 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.949 109.7 52.8 -60.1 -47.6 5.2 -8.8 4.7 18 18 A A H X S+ 0 0 57 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.854 111.6 45.8 -50.5 -46.2 6.9 -8.6 8.2 19 19 A L H X S+ 0 0 14 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.906 108.9 55.0 -69.4 -40.3 4.7 -5.6 9.1 20 20 A E H X S+ 0 0 68 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.907 107.4 51.1 -59.8 -39.0 1.6 -7.3 7.7 21 21 A K H X S+ 0 0 170 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.891 108.0 53.2 -62.8 -40.6 2.3 -10.3 10.1 22 22 A K H X S+ 0 0 141 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.931 109.2 46.3 -64.6 -45.3 2.7 -7.9 13.1 23 23 A H H X S+ 0 0 9 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.865 113.0 51.6 -64.7 -32.3 -0.8 -6.3 12.5 24 24 A E H >X S+ 0 0 58 -4,-1.8 4,-1.2 -5,-0.2 3,-0.5 0.958 106.8 52.4 -68.5 -46.4 -2.3 -9.7 12.0 25 25 A A H 3< S+ 0 0 67 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.818 104.0 59.4 -56.4 -35.1 -0.7 -10.9 15.4 26 26 A L H 3< S+ 0 0 98 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.900 103.4 49.6 -62.8 -43.5 -2.4 -7.7 17.1 27 27 A E H << 0 0 124 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.813 360.0 360.0 -64.4 -33.7 -5.9 -8.9 16.1 28 28 A H < 0 0 196 -4,-1.2 -1,-0.2 -3,-0.1 -2,-0.2 0.636 360.0 360.0 -89.8 360.0 -5.3 -12.4 17.5 29 !* 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 30 1 B E > 0 0 132 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -46.3 10.2 6.1 -17.4 31 2 B W H > + 0 0 62 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.978 360.0 46.9 -62.0 -52.9 13.3 4.7 -15.7 32 3 B E H > S+ 0 0 129 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.843 107.9 57.4 -55.0 -46.7 13.6 7.7 -13.4 33 4 B A H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.900 108.4 45.6 -54.0 -46.8 9.8 7.6 -12.5 34 5 B L H X S+ 0 0 5 -4,-1.7 4,-2.5 -3,-0.3 -1,-0.2 0.879 113.4 49.5 -73.4 -27.8 10.1 4.0 -11.3 35 6 B E H X S+ 0 0 81 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.924 112.5 47.8 -71.7 -38.3 13.3 4.9 -9.3 36 7 B K H X S+ 0 0 147 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.939 113.1 49.8 -60.1 -49.0 11.3 7.9 -7.8 37 8 B K H X S+ 0 0 71 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.947 111.2 47.2 -55.8 -55.9 8.3 5.6 -7.0 38 9 B X H X S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.857 112.6 49.0 -60.9 -36.9 10.5 2.9 -5.3 39 10 B A H X S+ 0 0 50 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.891 111.3 50.6 -67.8 -40.3 12.3 5.6 -3.2 40 11 B A H X S+ 0 0 43 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.913 110.7 48.2 -64.0 -42.3 8.9 7.1 -2.2 41 12 B L H X S+ 0 0 6 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.900 109.4 54.6 -65.0 -39.1 7.6 3.7 -1.2 42 13 B E H X S+ 0 0 62 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.936 111.5 43.6 -56.5 -48.3 10.8 3.1 0.8 43 14 B S H X S+ 0 0 69 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.900 112.9 51.4 -68.2 -39.1 10.2 6.4 2.7 44 15 B K H X S+ 0 0 79 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.896 112.7 47.5 -62.6 -38.4 6.5 5.6 3.2 45 16 B L H X S+ 0 0 4 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.933 108.2 52.5 -69.6 -44.0 7.6 2.2 4.6 46 17 B Q H X S+ 0 0 124 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.760 109.5 53.7 -61.4 -25.6 10.3 3.7 6.9 47 18 B A H X S+ 0 0 55 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.905 107.9 47.1 -72.5 -46.3 7.4 6.0 8.2 48 19 B L H X S+ 0 0 6 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.916 109.4 53.5 -63.9 -42.9 5.1 3.0 9.0 49 20 B E H X S+ 0 0 68 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.900 110.6 48.5 -57.9 -40.6 8.0 1.2 10.8 50 21 B K H X S+ 0 0 54 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.910 112.9 46.6 -64.3 -45.0 8.4 4.4 12.9 51 22 B K H X S+ 0 0 88 -4,-2.3 4,-1.0 1,-0.2 3,-0.3 0.912 111.0 53.0 -62.7 -41.4 4.6 4.5 13.6 52 23 B H H X S+ 0 0 41 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.822 104.2 56.9 -63.3 -32.5 4.7 0.8 14.5 53 24 B E H < S+ 0 0 91 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.868 99.4 59.8 -66.3 -39.3 7.6 1.5 17.0 54 25 B A H < S+ 0 0 87 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.823 105.8 46.6 -60.3 -38.8 5.3 4.1 18.9 55 26 B L H < S+ 0 0 83 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.902 100.0 80.7 -72.6 -42.1 2.7 1.4 19.7 56 27 B E < 0 0 58 -4,-1.4 86,-0.1 1,-0.1 0, 0.0 -0.349 360.0 360.0 -67.7 143.7 5.3 -1.2 20.9 57 28 B H 0 0 102 -2,-0.1 85,-0.3 86,-0.0 -1,-0.1 0.881 360.0 360.0 -68.7 360.0 6.7 -0.8 24.5 58 !* 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 59 1 C E > 0 0 149 0, 0.0 4,-1.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -49.3 10.5 -7.6 -17.4 60 2 C W H > + 0 0 35 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.913 360.0 50.5 -59.2 -50.1 9.6 -3.9 -17.0 61 3 C E H > S+ 0 0 122 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.804 110.1 52.3 -61.0 -33.1 5.8 -4.5 -16.9 62 4 C A H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 108.5 49.0 -71.6 -41.6 6.3 -7.1 -14.1 63 5 C L H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.879 111.1 51.4 -66.2 -36.4 8.4 -4.8 -12.0 64 6 C E H X S+ 0 0 69 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.808 110.1 47.0 -67.0 -38.4 5.7 -2.0 -12.4 65 7 C K H X S+ 0 0 158 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.893 109.3 56.4 -73.6 -37.8 2.8 -4.3 -11.3 66 8 C K H X S+ 0 0 72 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.955 111.7 41.3 -52.1 -57.4 4.9 -5.5 -8.3 67 9 C X H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.852 111.8 55.5 -63.7 -37.2 5.4 -1.9 -7.0 68 10 C A H X S+ 0 0 39 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.918 112.2 44.3 -58.6 -43.2 1.8 -1.0 -7.8 69 11 C A H X S+ 0 0 48 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.866 112.7 50.3 -70.3 -40.1 0.7 -4.0 -5.6 70 12 C L H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.900 108.4 53.4 -66.3 -38.8 3.2 -3.2 -2.8 71 13 C E H X S+ 0 0 77 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.914 109.2 48.8 -57.8 -44.8 1.9 0.5 -2.9 72 14 C S H X S+ 0 0 78 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.898 111.0 50.5 -61.0 -41.8 -1.7 -0.9 -2.4 73 15 C K H X S+ 0 0 94 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.910 109.8 50.5 -66.5 -38.3 -0.5 -3.1 0.5 74 16 C L H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.894 105.5 55.0 -65.1 -43.7 1.2 -0.1 2.1 75 17 C Q H X S+ 0 0 102 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.864 107.9 51.5 -59.0 -34.7 -2.0 2.1 1.9 76 18 C A H X S+ 0 0 46 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.907 109.3 48.1 -68.8 -41.0 -3.9 -0.7 3.8 77 19 C L H X S+ 0 0 7 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.858 110.0 54.4 -66.9 -33.0 -1.2 -0.7 6.6 78 20 C E H X S+ 0 0 62 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.915 106.5 50.6 -62.6 -47.2 -1.5 3.2 6.7 79 21 C K H X S+ 0 0 119 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.848 106.1 56.1 -62.6 -34.3 -5.3 2.9 7.2 80 22 C K H X S+ 0 0 81 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.891 107.4 48.7 -65.1 -37.9 -4.7 0.4 10.1 81 23 C H H X S+ 0 0 12 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.856 107.0 55.7 -71.7 -27.5 -2.5 3.0 11.8 82 24 C E H <>S+ 0 0 101 -4,-1.6 5,-1.8 2,-0.2 4,-0.3 0.808 109.4 48.0 -71.4 -28.0 -5.2 5.6 11.3 83 25 C A H ><5S+ 0 0 65 -4,-1.5 3,-1.9 4,-0.2 -2,-0.2 0.967 111.5 47.5 -73.5 -54.3 -7.7 3.2 13.2 84 26 C L H 3<5S+ 0 0 102 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.759 102.3 64.4 -57.2 -34.6 -5.2 2.6 16.2 85 27 C E T 3<5S- 0 0 124 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.723 127.0-106.7 -61.2 -24.1 -4.6 6.3 16.4 86 28 C H T < 5 0 0 84 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.2 0.665 360.0 360.0 105.2 26.9 -8.3 6.3 17.2 87 29 C G < 0 0 106 -5,-1.8 -4,-0.2 -4,-0.2 -3,-0.1 0.891 360.0 360.0 -70.2 360.0 -9.9 7.6 14.2 88 !* 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 89 1 D E > 0 0 171 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -32.0 2.2 -2.6 51.9 90 2 D W H > + 0 0 50 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.932 360.0 49.7 -73.3 -43.6 5.7 -3.8 52.9 91 3 D E H > S+ 0 0 129 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.671 108.2 56.1 -67.5 -23.1 5.8 -6.8 50.6 92 4 D A H > S+ 0 0 41 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.785 108.4 46.3 -78.8 -33.2 4.6 -4.5 47.7 93 5 D L H X S+ 0 0 10 -4,-1.1 4,-1.9 -3,-0.4 -2,-0.2 0.901 112.5 49.7 -72.1 -45.0 7.7 -2.2 48.3 94 6 D E H X S+ 0 0 80 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.891 111.4 52.0 -56.2 -39.4 9.9 -5.3 48.5 95 7 D K H X S+ 0 0 147 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.906 108.9 49.0 -61.9 -48.6 8.2 -6.3 45.1 96 8 D K H X S+ 0 0 104 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.835 112.3 46.4 -63.7 -40.4 9.0 -2.9 43.5 97 9 D X H X S+ 0 0 12 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.929 113.0 50.9 -72.0 -36.5 12.7 -2.9 44.4 98 10 D A H X S+ 0 0 46 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.944 112.5 44.7 -60.5 -53.7 13.1 -6.5 43.3 99 11 D A H X S+ 0 0 39 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.837 110.8 55.7 -62.2 -33.8 11.5 -5.9 39.8 100 12 D L H X S+ 0 0 6 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.929 112.4 42.4 -64.4 -42.8 13.6 -2.6 39.5 101 13 D E H X S+ 0 0 52 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.917 113.1 51.7 -67.0 -46.2 16.7 -4.6 40.0 102 14 D S H X S+ 0 0 73 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.860 112.9 45.1 -62.6 -37.9 15.7 -7.5 37.8 103 15 D K H X S+ 0 0 90 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.823 109.7 55.6 -72.9 -34.4 14.8 -5.2 34.9 104 16 D L H X S+ 0 0 2 -4,-1.5 4,-1.4 -5,-0.2 -2,-0.2 0.879 109.4 46.7 -63.5 -39.8 18.1 -3.2 35.4 105 17 D Q H X S+ 0 0 80 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.817 109.8 54.6 -70.4 -34.2 20.0 -6.5 35.0 106 18 D A H X S+ 0 0 50 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.884 108.6 48.5 -67.2 -40.0 17.8 -7.3 31.9 107 19 D L H X S+ 0 0 4 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.837 106.9 56.4 -69.9 -33.9 18.8 -4.0 30.3 108 20 D E H X S+ 0 0 56 -4,-1.4 4,-1.6 2,-0.2 3,-0.3 0.942 105.1 50.7 -61.6 -48.9 22.6 -4.6 31.1 109 21 D K H X S+ 0 0 134 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.883 109.0 53.1 -55.8 -40.8 22.6 -8.0 29.2 110 22 D K H X S+ 0 0 80 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.829 105.1 54.1 -61.7 -40.5 21.0 -6.1 26.1 111 23 D H H X S+ 0 0 8 -4,-1.5 4,-0.7 -3,-0.3 -1,-0.2 0.839 102.6 57.2 -66.4 -32.7 23.8 -3.5 26.2 112 24 D E H ><>S+ 0 0 106 -4,-1.6 5,-0.7 1,-0.2 3,-0.6 0.849 103.6 53.2 -65.5 -34.2 26.4 -6.3 26.0 113 25 D A H 3<5S+ 0 0 86 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.791 104.4 56.3 -71.3 -27.8 24.7 -7.4 22.7 114 26 D L H 3<5S+ 0 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109.8 50.7 -63.2 -34.8 8.2 5.5 47.2 125 7 E K H X S+ 0 0 60 -4,-1.9 4,-2.7 2,-0.2 3,-0.2 0.988 110.8 46.6 -64.4 -59.2 9.2 8.8 45.5 126 8 E K H X S+ 0 0 55 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.829 115.1 45.2 -56.4 -42.2 12.7 7.6 44.5 127 9 E X H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.877 112.4 51.4 -73.2 -32.1 11.5 4.2 43.1 128 10 E A H X S+ 0 0 51 -4,-1.7 4,-1.4 -3,-0.2 -2,-0.2 0.944 113.3 47.1 -60.9 -47.2 8.5 5.9 41.2 129 11 E A H X S+ 0 0 51 -4,-2.7 4,-1.6 1,-0.2 3,-0.4 0.921 111.5 48.7 -60.6 -48.9 11.0 8.3 39.8 130 12 E L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.823 107.9 55.7 -63.8 -34.1 13.5 5.4 38.8 131 13 E E H X S+ 0 0 64 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.843 107.1 50.6 -60.6 -39.5 10.6 3.5 37.2 132 14 E S H X S+ 0 0 82 -4,-1.4 4,-1.1 -3,-0.4 -2,-0.2 0.865 114.6 43.7 -66.6 -38.2 10.0 6.6 35.0 133 15 E K H X S+ 0 0 68 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.918 113.7 49.6 -70.4 -49.4 13.7 6.7 34.0 134 16 E L H X S+ 0 0 4 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.882 105.0 57.9 -58.6 -45.1 14.0 2.9 33.4 135 17 E Q H X S+ 0 0 102 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.879 103.1 54.4 -56.0 -42.1 10.9 2.8 31.2 136 18 E A H X S+ 0 0 61 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.911 109.4 46.5 -58.1 -47.3 12.5 5.4 28.8 137 19 E L H < S+ 0 0 14 -4,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.785 110.7 54.2 -64.4 -30.7 15.7 3.2 28.4 138 20 E E H >X S+ 0 0 71 -4,-1.7 4,-1.5 2,-0.2 3,-0.7 0.921 110.2 46.5 -66.4 -44.2 13.2 0.2 27.8 139 21 E K H 3< S+ 0 0 49 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.861 109.0 53.2 -63.8 -44.2 11.6 2.3 25.1 140 22 E K T 3< S+ 0 0 47 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.569 112.1 47.8 -70.9 -10.8 15.0 3.3 23.5 141 23 E H T <> S+ 0 0 7 -3,-0.7 4,-1.7 -4,-0.4 -2,-0.2 0.734 102.0 60.3 -96.2 -32.8 15.9 -0.5 23.4 142 24 E E T < S+ 0 0 26 -4,-1.5 4,-0.3 -85,-0.3 -2,-0.2 0.477 107.8 49.2 -71.8 -6.4 12.5 -1.5 21.8 143 25 E A T > S+ 0 0 25 -4,-0.3 4,-2.1 2,-0.1 -1,-0.2 0.666 106.0 54.0-100.8 -31.4 13.6 0.8 18.9 144 26 E L T 4 S+ 0 0 51 -4,-0.3 -2,-0.2 2,-0.2 -3,-0.1 0.847 111.3 46.1 -71.2 -37.9 17.2 -0.8 18.6 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57.0 -64.2 -37.8 22.7 6.3 35.2 166 18 F A H X S+ 0 0 51 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.881 109.7 46.3 -59.7 -36.8 25.7 4.2 33.8 167 19 F L H X S+ 0 0 8 -4,-1.8 4,-1.5 -3,-0.2 3,-0.3 0.831 106.5 57.7 -75.5 -35.1 23.2 2.8 31.2 168 20 F E H >X S+ 0 0 65 -4,-1.8 4,-1.5 1,-0.2 3,-0.6 0.960 105.6 51.0 -57.9 -47.8 21.9 6.4 30.4 169 21 F K H 3X S+ 0 0 142 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.732 106.2 55.6 -60.5 -28.6 25.5 7.4 29.5 170 22 F K H 3X S+ 0 0 85 -4,-0.8 4,-1.2 -3,-0.3 -1,-0.2 0.860 105.5 50.5 -74.2 -34.9 25.8 4.4 27.1 171 23 F H H << S+ 0 0 30 -4,-1.5 -2,-0.2 -3,-0.6 -1,-0.2 0.858 111.9 49.3 -70.7 -32.9 22.7 5.5 25.2 172 24 F E H >< S+ 0 0 48 -4,-1.5 3,-3.0 1,-0.2 4,-0.5 0.942 104.3 58.9 -64.9 -52.5 24.2 9.0 24.9 173 25 F A H >< S+ 0 0 52 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.787 103.4 51.4 -50.4 -36.9 27.5 7.7 23.7 174 26 F L T 3< S+ 0 0 106 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.371 90.4 75.7 -92.1 9.2 25.8 6.1 20.8 175 27 F E T < 0 0 161 -3,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.590 360.0 360.0 -79.2 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