==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 01-MAR-12 4DZL . COMPND 2 MOLECULE: COILED-COIL PEPTIDE CC-TRI; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.BRUNING,A.R.THOMSON,N.R.ZACCAI,R.L.BRADY,D.N.WOOLFSON . 360 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 85.3 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 82.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 0 1 2 4 4 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 G > 0 0 95 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -48.5 27.1 3.0 19.5 2 2 A E H > + 0 0 105 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.854 360.0 49.7 -60.3 -38.3 24.5 4.7 21.7 3 3 A I H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.909 108.2 52.4 -70.4 -42.0 26.9 4.5 24.6 4 4 A A H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.922 111.6 47.4 -57.6 -44.7 29.8 6.0 22.6 5 5 A A H X S+ 0 0 53 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.879 110.4 50.8 -67.0 -40.9 27.5 8.9 21.6 6 6 A I H X S+ 0 0 13 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.896 111.0 48.7 -64.3 -40.8 26.3 9.5 25.2 7 7 A K H X S+ 0 0 96 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.855 109.7 53.1 -65.9 -36.7 29.9 9.6 26.6 8 8 A Q H X S+ 0 0 140 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.915 108.3 49.7 -63.7 -45.6 30.8 12.0 23.8 9 9 A E H X S+ 0 0 58 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.865 109.4 52.2 -59.5 -38.7 27.9 14.3 24.8 10 10 A I H X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.915 109.9 48.4 -66.2 -41.8 29.1 14.1 28.4 11 11 A A H X S+ 0 0 51 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.883 110.4 51.6 -63.1 -40.4 32.6 15.1 27.4 12 12 A A H X S+ 0 0 48 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.881 109.5 50.0 -66.4 -39.5 31.3 18.0 25.3 13 13 A I H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.909 109.5 50.0 -62.1 -47.8 29.2 19.3 28.3 14 14 A K H X S+ 0 0 90 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.865 108.5 54.6 -58.5 -36.6 32.2 19.2 30.6 15 15 A K H X S+ 0 0 166 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.900 109.6 46.5 -63.4 -42.8 34.1 21.1 27.9 16 16 A E H X S+ 0 0 61 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.890 109.0 54.4 -66.4 -41.6 31.4 23.8 27.9 17 17 A I H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.927 108.9 49.3 -57.4 -43.8 31.4 23.9 31.8 18 18 A A H X S+ 0 0 50 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.960 112.2 48.3 -60.0 -47.0 35.2 24.5 31.7 19 19 A A H X S+ 0 0 47 -4,-2.1 4,-1.7 1,-0.2 3,-0.2 0.912 110.2 51.7 -58.3 -47.3 34.6 27.3 29.1 20 20 A I H X S+ 0 0 5 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.909 105.4 54.8 -55.7 -45.6 31.9 28.8 31.2 21 21 A K H X S+ 0 0 93 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.844 108.7 48.8 -62.6 -34.7 34.0 29.0 34.4 22 22 A X H X S+ 0 0 201 -4,-1.6 4,-1.6 -3,-0.2 -1,-0.2 0.838 111.0 50.1 -71.3 -34.8 36.7 30.9 32.5 23 23 A E H X S+ 0 0 51 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.917 110.8 49.0 -68.1 -43.8 34.1 33.3 31.1 24 24 A I H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.909 109.4 52.2 -62.6 -42.5 32.7 33.9 34.6 25 25 A A H X S+ 0 0 46 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.882 108.3 51.4 -61.4 -39.3 36.2 34.5 36.1 26 26 A A H < S+ 0 0 56 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.901 109.4 50.0 -65.9 -39.6 36.9 37.1 33.4 27 27 A I H < S+ 0 0 42 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.904 108.2 53.2 -63.4 -41.7 33.7 38.9 34.2 28 28 A K H < S+ 0 0 118 -4,-2.3 2,-1.2 -5,-0.1 -1,-0.2 0.827 88.8 86.4 -63.8 -34.5 34.5 38.9 37.9 29 29 A Q < 0 0 166 -4,-1.7 -1,-0.1 -5,-0.2 -4,-0.0 -0.595 360.0 360.0 -65.7 97.3 37.9 40.5 37.1 30 30 A G 0 0 120 -2,-1.2 -3,-0.0 0, 0.0 0, 0.0 -0.392 360.0 360.0 154.3 360.0 36.7 44.2 37.1 31 !* 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 32 1 I G > 0 0 92 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -36.5 -13.9 21.4 17.6 33 2 I E H > + 0 0 159 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.960 360.0 38.4 -67.7 -49.4 -12.5 21.2 14.0 34 3 I I H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 113.7 58.0 -68.8 -35.2 -11.5 24.9 13.7 35 4 I A H > S+ 0 0 45 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.891 105.5 50.7 -53.7 -43.2 -10.3 24.8 17.4 36 5 I A H X S+ 0 0 44 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.872 110.3 48.4 -64.8 -42.5 -7.9 22.0 16.4 37 6 I I H X S+ 0 0 22 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.913 111.0 50.1 -61.6 -45.9 -6.6 24.0 13.5 38 7 I K H X S+ 0 0 87 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.825 110.7 51.0 -64.2 -31.7 -6.1 27.0 15.7 39 8 I Q H X S+ 0 0 137 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.885 107.7 52.0 -70.7 -41.5 -4.3 24.8 18.2 40 9 I E H X S+ 0 0 62 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.938 111.3 46.8 -57.4 -49.9 -2.0 23.4 15.5 41 10 I I H X S+ 0 0 4 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.920 111.5 51.2 -61.3 -45.1 -1.0 26.9 14.3 42 11 I A H X S+ 0 0 51 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.903 110.8 49.3 -55.7 -43.2 -0.4 28.0 18.0 43 12 I A H X S+ 0 0 53 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.886 111.6 49.1 -64.7 -40.8 1.8 24.9 18.4 44 13 I I H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.915 107.5 53.4 -65.6 -44.0 3.7 25.8 15.3 45 14 I K H X S+ 0 0 103 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.849 108.4 51.1 -61.2 -33.6 4.2 29.4 16.3 46 15 I K H X S+ 0 0 161 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.882 109.7 49.3 -71.3 -39.2 5.7 28.3 19.6 47 16 I E H X S+ 0 0 63 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.875 110.3 52.0 -63.9 -39.7 8.1 25.9 17.8 48 17 I I H X S+ 0 0 9 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.953 110.0 48.1 -61.0 -47.0 9.1 28.8 15.5 49 18 I A H X S+ 0 0 40 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.884 112.7 49.1 -60.6 -39.1 9.8 31.1 18.5 50 19 I A H X S+ 0 0 29 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.931 112.4 47.3 -64.0 -46.8 11.9 28.3 20.1 51 20 I I H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.916 109.4 52.7 -63.3 -45.7 13.9 27.7 16.9 52 21 I K H X S+ 0 0 34 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.876 111.9 47.8 -56.0 -41.3 14.6 31.4 16.4 53 22 I X H X S+ 0 0 2 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.901 110.0 50.5 -69.2 -45.5 15.9 31.5 19.9 54 23 I E H X S+ 0 0 45 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.908 112.2 48.4 -56.2 -44.7 18.1 28.4 19.6 55 24 I I H X S+ 0 0 5 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.916 111.4 48.6 -66.4 -45.5 19.6 29.8 16.4 56 25 I A H X S+ 0 0 5 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.899 110.2 52.7 -59.8 -42.3 20.3 33.2 17.9 57 26 I A H X S+ 0 0 16 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.913 108.6 49.8 -61.7 -43.4 21.9 31.6 21.0 58 27 I I H < S+ 0 0 56 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 110.9 50.5 -60.5 -41.1 24.2 29.6 18.7 59 28 I K H < S+ 0 0 32 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.853 110.3 48.5 -67.5 -34.7 25.2 32.8 16.9 60 29 I Q H < S+ 0 0 12 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.806 84.2 167.9 -75.7 -32.1 26.0 34.8 20.1 61 30 I G < 0 0 21 -4,-1.8 27,-0.3 -5,-0.2 -1,-0.2 -0.251 360.0 360.0 58.7-137.8 28.1 32.0 21.5 62 31 I Y 0 0 76 25,-0.1 23,-0.1 26,-0.1 22,-0.1 -0.825 360.0 360.0 91.4 360.0 30.3 32.9 24.6 63 !* 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 64 1 C G > 0 0 94 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-135.1 15.0 2.4 31.3 65 2 C E H > + 0 0 114 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.901 360.0 47.2 -58.5 -46.2 18.3 3.5 32.8 66 3 C I H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 110.2 53.0 -68.9 -41.1 19.7 4.7 29.5 67 4 C A H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 108.3 49.8 -58.4 -48.1 16.6 6.6 28.6 68 5 C A H X S+ 0 0 50 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.873 108.3 53.6 -60.6 -39.2 16.6 8.5 32.0 69 6 C I H X S+ 0 0 10 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.862 107.8 51.3 -63.1 -36.7 20.3 9.4 31.4 70 7 C K H X S+ 0 0 91 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.870 107.4 51.5 -69.8 -37.7 19.4 10.8 28.0 71 8 C Q H X S+ 0 0 147 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.913 111.0 49.4 -63.6 -41.3 16.6 13.0 29.5 72 9 C E H X S+ 0 0 64 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.919 110.8 48.7 -61.7 -45.7 19.1 14.3 32.1 73 10 C I H X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.911 111.1 51.1 -62.1 -42.2 21.7 15.1 29.4 74 11 C A H X S+ 0 0 54 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.892 110.9 47.3 -61.6 -41.9 19.0 16.9 27.3 75 12 C A H X S+ 0 0 53 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.900 110.5 53.6 -68.7 -38.2 17.9 19.0 30.3 76 13 C I H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.893 103.7 55.8 -59.4 -42.6 21.5 19.8 31.0 77 14 C K H X S+ 0 0 88 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.869 106.2 51.0 -61.9 -38.0 22.1 21.0 27.5 78 15 C K H X S+ 0 0 85 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.908 109.3 50.7 -63.0 -44.4 19.2 23.5 27.8 79 16 C E H X S+ 0 0 47 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.906 109.5 50.8 -60.5 -40.8 20.8 24.9 31.1 80 17 C I H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.917 109.8 50.3 -63.5 -41.5 24.2 25.3 29.4 81 18 C A H X S+ 0 0 26 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.875 110.5 49.2 -65.1 -37.3 22.5 27.2 26.5 82 19 C A H X S+ 0 0 18 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.931 111.5 49.6 -67.9 -43.1 20.7 29.5 28.9 83 20 C I H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.919 110.2 49.6 -59.8 -47.1 24.0 30.2 30.9 84 21 C K H X S+ 0 0 62 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.893 113.2 47.1 -60.4 -43.2 26.0 31.0 27.7 85 22 C X H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.880 110.0 52.0 -65.5 -42.0 23.3 33.4 26.5 86 23 C E H X S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.931 110.5 49.6 -58.9 -45.8 23.1 35.0 29.9 87 24 C I H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.918 110.6 49.8 -59.8 -43.9 26.9 35.5 29.8 88 25 C A H X S+ 0 0 2 -4,-2.4 4,-0.9 -27,-0.3 -2,-0.2 0.936 111.9 49.2 -57.5 -46.0 26.5 37.0 26.3 89 26 C A H <>S+ 0 0 1 -4,-2.8 5,-3.3 1,-0.2 3,-0.5 0.894 109.5 50.5 -61.8 -44.8 23.8 39.4 27.6 90 27 C I H ><5S+ 0 0 24 -4,-2.7 3,-1.5 1,-0.2 5,-0.2 0.900 107.3 53.4 -59.5 -45.1 25.9 40.5 30.6 91 28 C K H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.720 110.5 49.1 -66.2 -19.2 29.0 41.2 28.4 92 29 C Q T 3<5S- 0 0 43 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.353 124.2-101.6 -99.1 4.5 26.7 43.5 26.3 93 30 C G T < 5S+ 0 0 47 -3,-1.5 -3,-0.2 -4,-0.2 2,-0.1 0.701 86.3 123.3 84.2 22.7 25.2 45.3 29.2 94 31 C Y < 0 0 20 -5,-3.3 -4,-0.2 1,-0.2 -3,-0.1 -0.375 360.0 360.0-109.7 51.2 21.9 43.4 29.4 95 32 C G 0 0 42 -5,-0.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.313 360.0 360.0 174.0 360.0 22.1 42.2 33.0 96 !* 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 97 1 B G > 0 0 92 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -32.2 30.5 0.3 38.2 98 2 B E H > + 0 0 149 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.940 360.0 42.1 -65.4 -47.1 30.9 1.7 34.7 99 3 B I H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.856 112.5 54.9 -71.0 -33.2 27.3 2.8 34.5 100 4 B A H > S+ 0 0 42 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.868 104.4 55.7 -61.4 -37.2 27.5 4.1 38.1 101 5 B A H X S+ 0 0 40 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.890 105.3 50.8 -63.7 -40.2 30.5 6.2 37.0 102 6 B I H X S+ 0 0 20 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.860 109.7 51.5 -63.6 -36.1 28.4 7.8 34.2 103 7 B K H X S+ 0 0 87 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.790 108.4 50.8 -71.7 -30.1 25.8 8.6 36.9 104 8 B Q H X S+ 0 0 140 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.894 107.5 53.3 -70.6 -42.4 28.4 10.2 39.1 105 9 B E H X S+ 0 0 62 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.876 110.4 48.3 -57.1 -39.4 29.6 12.4 36.2 106 10 B I H X S+ 0 0 4 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.879 110.7 49.0 -71.6 -39.9 26.0 13.5 35.7 107 11 B A H X S+ 0 0 51 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.886 112.2 49.8 -67.4 -38.5 25.5 14.4 39.4 108 12 B A H X S+ 0 0 50 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.929 108.9 51.3 -65.2 -45.7 28.7 16.3 39.4 109 13 B I H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.904 108.2 53.5 -57.0 -40.4 27.8 18.3 36.3 110 14 B K H X S+ 0 0 100 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.881 108.7 48.5 -64.1 -37.2 24.5 19.1 38.0 111 15 B K H X S+ 0 0 168 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.866 111.5 49.8 -69.2 -37.4 26.3 20.5 41.1 112 16 B E H X S+ 0 0 67 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.913 110.5 50.6 -65.6 -42.1 28.6 22.6 38.9 113 17 B I H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.905 108.9 50.3 -62.5 -44.1 25.6 24.0 36.9 114 18 B A H X S+ 0 0 61 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.883 111.7 48.8 -63.3 -39.1 23.7 25.0 40.1 115 19 B A H X S+ 0 0 53 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.916 110.8 51.0 -66.1 -43.4 26.9 26.8 41.4 116 20 B I H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.938 107.3 52.8 -56.6 -49.7 27.2 28.5 38.0 117 21 B K H X S+ 0 0 100 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.840 109.8 49.8 -57.9 -32.0 23.6 29.7 38.1 118 22 B X H X S+ 0 0 182 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.934 109.4 51.0 -68.4 -47.0 24.4 31.1 41.6 119 23 B E H X S+ 0 0 55 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.896 109.5 50.3 -60.0 -39.4 27.5 32.9 40.2 120 24 B I H X S+ 0 0 11 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.883 109.2 51.1 -65.2 -38.1 25.5 34.4 37.4 121 25 B A H X S+ 0 0 40 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.915 110.6 49.9 -62.6 -41.4 22.8 35.7 39.8 122 26 B A H < S+ 0 0 51 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.842 108.3 51.9 -67.6 -36.3 25.6 37.3 41.9 123 27 B I H < S+ 0 0 46 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.907 116.2 41.7 -62.1 -41.7 27.2 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0.866 109.4 50.9 -62.8 -38.6 28.7 38.1 9.6 145 17 E I H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.914 109.1 50.8 -64.5 -44.6 28.1 41.5 7.9 146 18 E A H X S+ 0 0 41 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.937 110.9 48.3 -58.4 -46.5 26.2 39.8 5.1 147 19 E A H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.877 110.5 51.3 -64.3 -38.3 23.9 38.0 7.6 148 20 E I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.925 108.1 52.8 -63.5 -43.8 23.3 41.2 9.6 149 21 E K H X S+ 0 0 101 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.907 109.6 48.0 -59.0 -43.5 22.4 43.0 6.4 150 22 E X H X S+ 0 0 88 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.929 111.1 50.9 -61.4 -44.3 19.8 40.3 5.5 151 23 E E H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.912 110.3 49.5 -62.2 -41.0 18.4 40.5 9.0 152 24 E I H X S+ 0 0 9 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.932 111.1 50.4 -60.7 -45.9 18.1 44.3 8.7 153 25 E A H X S+ 0 0 53 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.931 113.5 44.1 -55.1 -51.7 16.3 43.8 5.4 154 26 E A H ><>S+ 0 0 19 -4,-2.6 5,-2.1 1,-0.2 3,-0.9 0.889 110.9 54.0 -65.9 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2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.880 113.7 45.3 -60.6 -37.8 50.3 43.6 15.7 166 5 F A H X S+ 0 0 40 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.934 115.0 45.8 -68.5 -49.4 48.4 46.8 14.7 167 6 F I H X S+ 0 0 9 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.814 111.2 54.6 -64.3 -34.3 46.2 45.0 12.1 168 7 F K H X S+ 0 0 86 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.941 109.2 44.7 -64.8 -50.2 45.5 42.1 14.6 169 8 F Q H X S+ 0 0 124 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.764 109.3 57.6 -72.8 -21.3 44.2 44.4 17.3 170 9 F E H X S+ 0 0 54 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.924 108.9 46.8 -63.5 -44.6 42.2 46.2 14.7 171 10 F I H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.885 110.0 52.7 -62.5 -40.3 40.6 42.8 13.9 172 11 F A H X S+ 0 0 51 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.901 110.2 48.1 -63.0 -42.9 40.0 42.2 17.7 173 12 F A H X S+ 0 0 48 -4,-1.9 4,-1.6 1,-0.2 3,-0.5 0.929 110.8 50.8 -61.2 -49.4 38.2 45.5 18.0 174 13 F I H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.891 104.9 56.8 -55.9 -43.7 36.1 44.8 15.0 175 14 F K H X S+ 0 0 99 -4,-2.3 4,-2.1 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-27.6 -11.5 34.2 10.7 196 3 G I H > + 0 0 60 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.875 360.0 55.3 -70.4 -40.6 -10.2 32.1 7.8 197 4 G A H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.858 105.8 51.2 -59.0 -39.3 -8.4 35.3 6.6 198 5 G A H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.882 110.3 49.6 -63.5 -40.0 -6.6 35.6 9.9 199 6 G I H X S+ 0 0 8 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.901 110.5 49.7 -66.5 -41.9 -5.6 31.9 9.6 200 7 G K H X S+ 0 0 78 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.904 110.4 50.1 -63.3 -42.8 -4.2 32.5 6.1 201 8 G Q H X S+ 0 0 144 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.852 108.7 52.0 -65.2 -38.2 -2.2 35.5 7.2 202 9 G E H X S+ 0 0 64 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.911 110.2 49.1 -62.9 -43.0 -0.7 33.6 10.1 203 10 G I H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.907 110.3 51.6 -61.6 -41.1 0.3 30.9 7.7 204 11 G A H X S+ 0 0 49 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.929 111.2 46.9 -59.8 -48.1 1.9 33.6 5.4 205 12 G A H X S+ 0 0 35 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.910 109.7 54.2 -61.4 -43.8 3.8 35.0 8.3 206 13 G I H 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54.1 -63.4 -38.1 9.7 67.4 26.3 258 4 J A H > S+ 0 0 52 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.808 109.8 47.1 -67.1 -31.5 6.9 66.0 24.1 259 5 J A H X S+ 0 0 46 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.882 113.2 48.2 -76.3 -42.3 9.3 63.3 22.7 260 6 J I H X S+ 0 0 18 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.928 112.2 50.4 -58.7 -48.2 10.5 62.4 26.2 261 7 J K H X S+ 0 0 91 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.867 109.8 49.8 -59.6 -41.0 6.8 62.3 27.4 262 8 J Q H X S+ 0 0 143 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.904 109.1 51.0 -68.1 -41.6 5.8 60.0 24.5 263 9 J E H X S+ 0 0 74 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.922 109.6 51.3 -58.4 -45.5 8.7 57.6 25.2 264 10 J I H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.897 109.0 50.9 -57.6 -43.3 7.6 57.5 28.9 265 11 J A H X S+ 0 0 49 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.914 111.2 49.1 -58.1 -43.4 4.1 56.7 27.7 266 12 J A H X S+ 0 0 38 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.928 109.9 49.6 -63.2 -48.1 5.5 53.9 25.5 267 13 J I H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.906 107.1 55.1 -58.1 -44.4 7.6 52.4 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-1,-0.2 0.754 109.3 56.0 -73.2 -27.8 44.8 44.4 0.3 289 6 D I H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.886 104.1 50.8 -73.4 -41.8 44.1 43.5 4.0 290 7 D K H X S+ 0 0 96 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.829 111.7 49.8 -64.4 -33.2 44.1 47.1 5.3 291 8 D Q H X S+ 0 0 149 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.896 110.9 47.9 -71.6 -43.2 41.7 48.0 2.5 292 9 D E H X S+ 0 0 64 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.905 112.5 50.2 -59.5 -43.7 39.4 45.1 3.3 293 10 D I H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.867 109.7 50.5 -62.6 -38.9 39.6 46.2 7.0 294 11 D A H X S+ 0 0 53 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.830 110.0 50.6 -68.6 -32.9 38.8 49.8 6.0 295 12 D A H X S+ 0 0 42 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.874 108.8 51.3 -70.0 -40.5 35.8 48.5 4.0 296 13 D I H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.923 105.9 54.8 -62.9 -45.3 34.5 46.5 7.0 297 14 D K H X S+ 0 0 98 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.811 107.1 52.7 -57.2 -31.6 34.8 49.5 9.2 298 15 D K H X S+ 0 0 148 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.872 108.4 47.5 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53.0 15.5 309 26 D A H < S+ 0 0 65 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.861 109.9 50.8 -69.7 -38.7 16.7 53.7 13.1 310 27 D I H < S+ 0 0 41 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.906 106.0 54.6 -64.9 -44.0 15.1 50.3 13.7 311 28 D K H < 0 0 115 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.834 360.0 360.0 -59.0 -33.9 15.1 50.7 17.4 312 29 D Q < 0 0 204 -4,-1.2 -2,-0.2 -5,-0.2 -3,-0.2 0.836 360.0 360.0 -83.2 360.0 13.3 54.0 16.8 313 !* 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 0.0 314 1 K G 0 0 104 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -88.4 7.5 72.4 37.3 315 2 K E > + 0 0 97 2,-0.1 4,-1.7 3,-0.1 5,-0.2 0.698 360.0 55.4-102.5 -33.0 7.4 70.1 34.2 316 3 K I H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.872 108.6 51.7 -63.2 -37.8 11.0 68.8 34.5 317 4 K A H > S+ 0 0 54 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.907 107.2 49.8 -66.2 -45.0 10.1 67.7 38.1 318 5 K A H > S+ 0 0 46 -4,-0.4 4,-1.9 2,-0.2 3,-0.2 0.880 109.7 51.7 -65.5 -39.1 7.0 65.7 37.2 319 6 K I H X S+ 0 0 12 -4,-1.7 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