==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 26-NOV-02 1NA3 . COMPND 2 MOLECULE: DESIGNED PROTEIN CTPR2; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED; . AUTHOR E.MAIN,Y.XIONG,M.COCCO,L.D'ANDREA,L.REGAN . 172 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 83.7 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 . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 2 6 1 1 0 0 0 0 0 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 1 A G > 0 0 59 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 176.1 20.6 8.3 -2.5 2 2 A N H > + 0 0 152 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.933 360.0 31.4 -51.5 -65.4 21.6 9.9 -5.8 3 3 A S H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 118.4 56.5 -62.6 -44.9 19.2 12.9 -5.8 4 4 A A H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 108.0 46.1 -59.9 -46.7 19.1 13.2 -2.0 5 5 A E H X S+ 0 0 114 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.899 111.6 52.8 -63.2 -38.8 22.9 13.6 -1.7 6 6 A A H X S+ 0 0 58 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.895 109.2 48.2 -67.2 -39.0 23.0 16.2 -4.6 7 7 A W H X S+ 0 0 82 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.906 111.6 51.4 -63.3 -41.2 20.3 18.3 -2.9 8 8 A Y H X S+ 0 0 31 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.949 109.5 48.8 -59.1 -49.2 22.3 18.1 0.3 9 9 A N H X S+ 0 0 95 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.868 109.6 53.9 -62.0 -33.5 25.5 19.2 -1.5 10 10 A L H X S+ 0 0 63 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.912 106.9 50.3 -64.0 -43.9 23.5 22.1 -3.0 11 11 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.928 109.7 51.7 -59.9 -42.8 22.4 23.1 0.5 12 12 A N H X S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.890 107.4 52.4 -57.8 -42.2 26.1 23.0 1.5 13 13 A A H X S+ 0 0 45 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.904 112.9 44.1 -64.9 -39.9 27.1 25.2 -1.4 14 14 A Y H <>S+ 0 0 69 -4,-2.3 5,-2.7 2,-0.2 3,-0.4 0.890 109.9 55.2 -73.0 -38.0 24.4 27.8 -0.5 15 15 A Y H ><5S+ 0 0 47 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.944 106.4 52.4 -55.0 -45.6 25.4 27.6 3.2 16 16 A K H 3<5S+ 0 0 172 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.733 105.8 54.7 -68.7 -21.5 29.0 28.4 2.2 17 17 A Q T 3<5S- 0 0 116 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.479 117.4-115.1 -78.6 -9.1 27.7 31.5 0.3 18 18 A G T < 5S+ 0 0 34 -3,-2.2 2,-1.0 -4,-0.4 -3,-0.2 0.700 76.1 134.5 76.9 23.1 26.0 32.7 3.5 19 19 A D >< + 0 0 61 -5,-2.7 4,-2.2 1,-0.2 -1,-0.2 -0.728 22.5 165.9-104.4 74.6 22.6 32.2 1.7 20 20 A Y H > + 0 0 52 -2,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.802 66.6 58.3 -69.1 -33.8 20.9 30.5 4.6 21 21 A D H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 112.6 41.7 -60.6 -47.6 17.3 30.8 3.3 22 22 A E H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.922 111.1 55.7 -65.0 -43.6 18.3 28.9 0.2 23 23 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.914 106.7 51.3 -55.0 -45.7 20.4 26.4 2.1 24 24 A I H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.930 108.0 52.0 -59.1 -44.8 17.4 25.6 4.2 25 25 A E H X S+ 0 0 118 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.908 114.5 42.4 -56.6 -44.9 15.2 25.0 1.2 26 26 A Y H X S+ 0 0 45 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.884 113.0 50.9 -76.0 -38.8 17.7 22.6 -0.3 27 27 A Y H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 0.890 109.0 53.6 -62.9 -37.0 18.5 20.8 2.9 28 28 A Q H X S+ 0 0 78 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.936 108.9 48.4 -62.6 -42.0 14.7 20.3 3.4 29 29 A K H X S+ 0 0 77 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.925 110.4 51.5 -63.4 -43.8 14.5 18.8 -0.1 30 30 A A H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.914 110.6 49.0 -55.4 -44.2 17.4 16.5 0.7 31 31 A L H < S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.788 104.2 58.0 -75.2 -27.4 15.8 15.3 4.0 32 32 A E H < S+ 0 0 146 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.893 114.1 40.1 -61.5 -42.5 12.4 14.6 2.3 33 33 A L H < S+ 0 0 81 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.795 136.0 14.0 -79.3 -30.8 14.3 12.2 0.0 34 34 A D >< + 0 0 41 -4,-2.1 3,-1.5 -5,-0.2 -1,-0.2 -0.677 59.2 175.4-148.5 86.8 16.6 10.8 2.8 35 35 A P T 3 S+ 0 0 60 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.489 76.2 71.9 -72.4 -2.4 15.6 11.5 6.3 36 36 A N T 3 + 0 0 121 1,-0.0 2,-1.5 4,-0.0 3,-0.1 0.352 65.1 110.8 -92.0 5.1 18.4 9.3 7.6 37 37 A N X> - 0 0 30 -3,-1.5 4,-1.7 1,-0.2 3,-0.5 -0.625 44.9-178.6 -82.1 90.1 21.1 11.8 6.6 38 38 A A H 3> S+ 0 0 13 -2,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.856 78.3 56.1 -58.6 -39.1 22.2 12.9 10.0 39 39 A E H 3> S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.853 104.5 54.1 -66.2 -29.5 24.7 15.4 8.7 40 40 A A H <> S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.901 107.6 49.8 -68.5 -41.8 21.9 17.1 6.7 41 41 A W H X S+ 0 0 41 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.909 112.1 49.5 -58.5 -44.4 19.9 17.5 9.9 42 42 A Y H X S+ 0 0 13 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.950 112.5 45.1 -62.9 -46.5 22.9 19.0 11.5 43 43 A N H X S+ 0 0 22 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.869 110.3 54.6 -70.6 -32.8 23.7 21.4 8.7 44 44 A L H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.926 107.3 51.9 -58.9 -45.8 20.0 22.4 8.6 45 45 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 108.4 51.0 -53.4 -48.1 20.3 23.1 12.3 46 46 A N H X S+ 0 0 14 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.864 106.5 54.3 -59.8 -41.2 23.3 25.3 11.6 47 47 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.938 111.6 43.9 -61.3 -43.0 21.4 27.3 8.9 48 48 A Y H <>S+ 0 0 32 -4,-2.1 5,-2.9 2,-0.2 4,-0.3 0.899 111.1 55.6 -66.1 -41.2 18.6 28.1 11.3 49 49 A Y H ><5S+ 0 0 41 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.937 105.6 51.7 -52.2 -48.3 21.2 28.9 14.0 50 50 A K H 3<5S+ 0 0 118 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.806 109.0 50.8 -63.2 -29.2 22.8 31.4 11.6 51 51 A Q T 3<5S- 0 0 76 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.415 119.1-112.8 -84.7 -1.3 19.4 33.0 11.1 52 52 A G T < 5S+ 0 0 33 -3,-1.8 2,-1.4 -4,-0.3 -3,-0.2 0.627 74.6 136.7 78.6 16.6 18.9 33.2 14.9 53 53 A D >< + 0 0 60 -5,-2.9 4,-2.3 1,-0.2 -1,-0.2 -0.646 21.1 165.7 -95.3 77.3 16.1 30.7 14.9 54 54 A Y H > + 0 0 63 -2,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.829 66.1 58.2 -73.8 -31.8 17.4 28.8 17.9 55 55 A D H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 112.6 42.5 -60.5 -43.5 14.2 26.7 18.6 56 56 A E H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.910 110.6 55.2 -67.8 -45.9 14.5 25.2 15.1 57 57 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.949 109.1 50.1 -51.7 -47.9 18.2 24.8 15.4 58 58 A I H X S+ 0 0 12 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.909 108.5 49.8 -57.9 -49.3 17.6 22.8 18.6 59 59 A E H X S+ 0 0 136 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.921 115.2 44.9 -59.4 -43.0 15.0 20.5 17.0 60 60 A Y H X S+ 0 0 51 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.892 112.1 50.1 -73.7 -36.1 17.3 19.7 14.1 61 61 A Y H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.899 109.7 52.5 -62.8 -40.6 20.4 19.2 16.2 62 62 A Q H X S+ 0 0 95 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.877 110.0 48.5 -63.9 -38.6 18.4 16.9 18.4 63 63 A K H X S+ 0 0 65 -4,-1.7 4,-1.8 2,-0.2 3,-0.4 0.936 110.1 51.2 -66.3 -43.6 17.3 14.9 15.3 64 64 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.913 111.3 49.0 -57.4 -42.1 20.9 14.8 14.0 65 65 A L H < S+ 0 0 29 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.691 104.2 58.1 -73.3 -26.6 22.0 13.4 17.4 66 66 A E H < S+ 0 0 126 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.904 116.4 35.4 -64.7 -42.7 19.3 10.8 17.5 67 67 A L H < S+ 0 0 56 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.840 137.2 20.7 -79.8 -33.1 20.7 9.4 14.3 68 68 A D >< + 0 0 57 -4,-2.4 3,-2.1 -5,-0.2 -1,-0.2 -0.686 63.4 178.0-140.3 77.3 24.4 10.1 15.1 69 69 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.736 80.2 60.9 -55.1 -26.9 25.0 10.6 18.8 70 70 A N T 3 + 0 0 151 4,-0.0 2,-1.4 5,-0.0 3,-0.1 0.288 66.1 118.4 -90.4 12.5 28.8 11.0 18.3 71 71 A N <> - 0 0 13 -3,-2.1 4,-1.9 1,-0.2 3,-0.2 -0.619 45.2-172.9 -72.8 96.0 28.4 14.2 16.1 72 72 A A H > S+ 0 0 61 -2,-1.4 4,-2.5 1,-0.3 -1,-0.2 0.852 78.1 55.0 -68.8 -35.9 30.3 16.4 18.5 73 73 A E H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.882 107.4 50.9 -63.9 -40.8 29.6 19.6 16.6 74 74 A A H > S+ 0 0 0 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.907 111.0 48.6 -59.5 -43.6 25.9 18.9 16.8 75 75 A K H X S+ 0 0 148 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.924 113.6 46.8 -63.3 -44.1 26.2 18.4 20.5 76 76 A Q H X S+ 0 0 116 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.941 114.0 45.8 -60.8 -49.6 28.2 21.6 21.0 77 77 A N H X S+ 0 0 35 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.837 108.8 57.0 -71.0 -31.0 25.9 23.7 18.8 78 78 A L H X S+ 0 0 28 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.937 108.6 47.0 -58.2 -49.6 22.8 22.2 20.6 79 79 A G H X S+ 0 0 36 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.912 112.8 49.0 -59.0 -44.3 24.3 23.4 23.9 80 80 A N H X S+ 0 0 74 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.918 111.7 49.1 -59.2 -50.9 25.0 26.8 22.5 81 81 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.903 108.8 52.2 -59.9 -41.0 21.5 27.1 21.1 82 82 A K H X S+ 0 0 109 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.851 109.3 50.6 -64.3 -33.5 19.9 26.1 24.4 83 83 A Q H < S+ 0 0 158 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.873 110.3 50.1 -72.1 -36.0 21.8 28.8 26.2 84 84 A K H < S+ 0 0 113 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.901 116.6 39.6 -66.6 -43.2 20.8 31.4 23.7 85 85 A Q H < 0 0 92 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.936 360.0 360.0 -82.6 -48.1 17.1 30.6 23.9 86 86 A G < 0 0 107 -4,-2.0 -3,-0.2 -5,-0.2 -1,-0.2 0.743 360.0 360.0 -82.6 360.0 16.4 29.9 27.6 87 !* 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 88 1 B G > 0 0 65 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0-140.5 12.9 55.1 42.3 89 2 B N H > + 0 0 160 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.827 360.0 36.1 -42.5 -65.6 14.3 53.3 39.2 90 3 B S H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 116.9 53.0 -64.4 -36.5 18.1 53.9 39.8 91 4 B A H > S+ 0 0 1 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 110.6 47.4 -62.4 -41.8 17.9 53.6 43.6 92 5 B E H X S+ 0 0 77 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.852 110.8 53.4 -64.8 -38.6 16.2 50.3 43.3 93 6 B A H X S+ 0 0 58 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.891 108.5 47.1 -68.4 -42.1 18.8 49.2 40.8 94 7 B W H X S+ 0 0 86 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.890 112.5 51.9 -60.2 -42.6 21.7 50.0 43.1 95 8 B Y H X S+ 0 0 23 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.935 109.7 48.0 -57.8 -48.6 19.9 48.2 45.9 96 9 B N H X S+ 0 0 91 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.860 110.0 53.6 -64.9 -35.1 19.4 45.1 43.7 97 10 B L H X S+ 0 0 64 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.937 107.0 51.3 -63.1 -44.7 23.1 45.3 42.8 98 11 B G H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.920 108.2 52.5 -54.0 -46.6 23.9 45.3 46.5 99 12 B N H X S+ 0 0 32 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.858 104.9 55.4 -60.9 -39.4 21.8 42.2 47.0 100 13 B A H X S+ 0 0 40 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.926 112.4 41.9 -59.6 -44.8 23.6 40.4 44.2 101 14 B Y H X>S+ 0 0 67 -4,-1.9 5,-2.2 2,-0.2 4,-0.6 0.872 111.8 55.5 -70.7 -36.0 27.0 41.0 45.9 102 15 B Y H ><5S+ 0 0 46 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.930 106.1 51.5 -59.1 -45.8 25.5 40.1 49.3 103 16 B K H 3<5S+ 0 0 181 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.832 108.1 51.9 -61.9 -29.9 24.3 36.8 47.9 104 17 B Q H 3<5S- 0 0 144 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.542 119.4-111.5 -82.8 -9.8 27.9 36.1 46.6 105 18 B G T <<5S+ 0 0 38 -3,-1.3 2,-1.3 -4,-0.6 -3,-0.2 0.528 78.4 130.0 89.0 11.7 29.3 36.8 50.1 106 19 B D >< + 0 0 74 -5,-2.2 4,-2.4 1,-0.2 3,-0.2 -0.650 23.8 166.3 -97.3 79.3 31.1 40.0 49.1 107 20 B Y H > + 0 0 58 -2,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.811 69.2 59.9 -68.5 -32.8 29.7 42.2 51.8 108 21 B D H > S+ 0 0 102 2,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.933 111.2 40.0 -60.5 -47.6 32.2 45.0 51.3 109 22 B E H > S+ 0 0 46 2,-0.2 4,-1.7 -3,-0.2 -2,-0.2 0.907 112.6 56.1 -70.4 -38.2 31.0 45.5 47.7 110 23 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.3 0.949 105.3 52.9 -57.8 -44.9 27.4 45.0 48.7 111 24 B I H X S+ 0 0 9 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.902 104.0 57.2 -57.8 -44.7 27.7 47.9 51.3 112 25 B E H X S+ 0 0 98 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.897 112.2 40.2 -53.5 -43.6 29.1 50.2 48.6 113 26 B Y H X S+ 0 0 34 -4,-1.7 4,-2.5 -3,-0.3 -1,-0.2 0.843 111.8 54.1 -81.3 -32.8 26.0 49.7 46.5 114 27 B Y H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.903 108.4 52.6 -63.2 -38.4 23.5 49.8 49.3 115 28 B Q H X S+ 0 0 79 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.900 108.9 48.6 -62.7 -42.7 25.0 53.1 50.3 116 29 B K H X S+ 0 0 76 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.935 110.2 52.2 -62.9 -41.7 24.6 54.4 46.8 117 30 B A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.905 111.7 46.3 -58.5 -42.3 20.9 53.2 46.8 118 31 B L H < S+ 0 0 11 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.777 105.4 59.2 -79.1 -27.3 20.3 55.1 50.1 119 32 B E H < S+ 0 0 141 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.921 114.5 37.9 -58.9 -42.9 22.0 58.2 48.9 120 33 B L H < S+ 0 0 78 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.828 136.6 18.0 -80.0 -36.6 19.5 58.4 46.1 121 34 B D >< + 0 0 42 -4,-2.2 3,-1.6 -5,-0.2 -1,-0.3 -0.731 60.1 177.1-137.2 89.5 16.5 57.1 48.2 122 35 B P T 3 S+ 0 0 70 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.528 79.3 67.7 -73.0 -1.5 17.0 57.4 52.0 123 36 B N T 3 + 0 0 114 31,-0.0 2,-1.3 -5,-0.0 3,-0.1 0.330 65.9 115.1 -96.6 7.4 13.4 56.1 52.5 124 37 B N <> - 0 0 14 -3,-1.6 4,-1.8 1,-0.2 3,-0.3 -0.625 43.7-174.7 -79.6 94.5 14.2 52.5 51.1 125 38 B A H > S+ 0 0 14 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.852 80.4 54.6 -60.9 -38.2 13.6 50.5 54.3 126 39 B E H > S+ 0 0 77 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.867 105.8 53.4 -65.9 -34.0 14.8 47.2 52.7 127 40 B A H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.931 110.2 47.1 -67.1 -42.1 18.1 48.9 51.7 128 41 B W H X S+ 0 0 37 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.924 112.8 50.5 -59.2 -44.4 18.7 50.0 55.3 129 42 B Y H X S+ 0 0 34 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.949 113.7 42.7 -62.5 -47.8 17.8 46.5 56.5 130 43 B N H X S+ 0 0 21 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.831 110.4 56.5 -71.8 -30.3 20.2 44.7 54.1 131 44 B L H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.939 107.8 50.0 -60.3 -43.2 22.9 47.3 54.8 132 45 B G H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.908 109.4 50.5 -59.9 -45.9 22.5 46.3 58.4 133 46 B N H X S+ 0 0 14 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.916 108.2 53.1 -60.4 -39.8 22.8 42.6 57.5 134 47 B A H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.927 111.4 45.0 -64.4 -42.6 26.0 43.3 55.5 135 48 B Y H ><>S+ 0 0 33 -4,-2.2 5,-2.5 2,-0.2 3,-0.5 0.911 110.5 55.0 -65.6 -41.1 27.6 45.0 58.5 136 49 B Y H ><5S+ 0 0 54 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.923 104.8 53.9 -57.2 -44.0 26.4 42.2 60.8 137 50 B K H 3<5S+ 0 0 117 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.786 107.4 51.8 -59.8 -31.8 28.1 39.7 58.5 138 51 B Q T <<5S- 0 0 78 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.457 120.8-109.0 -85.1 -0.2 31.3 41.7 58.9 139 52 B G T < 5S+ 0 0 36 -3,-1.7 2,-1.2 -4,-0.4 -3,-0.2 0.610 78.2 134.3 83.8 14.8 31.1 41.7 62.7 140 53 B D >< + 0 0 58 -5,-2.5 4,-2.1 1,-0.2 -1,-0.2 -0.640 19.1 162.0 -98.4 73.4 30.2 45.3 62.8 141 54 B Y H > + 0 0 61 -2,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.794 67.8 59.9 -70.8 -32.1 27.3 45.2 65.2 142 55 B D H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.953 111.5 41.0 -59.4 -50.4 27.3 48.9 66.1 143 56 B E H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.897 112.5 55.0 -60.2 -45.3 26.7 49.8 62.5 144 57 B A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.914 107.0 51.2 -59.5 -44.1 24.2 47.0 62.0 145 58 B I H X S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.943 109.5 50.4 -55.3 -50.1 22.2 48.3 65.0 146 59 B E H X S+ 0 0 97 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.904 114.0 43.9 -53.0 -47.3 22.1 51.8 63.5 147 60 B Y H X S+ 0 0 33 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.856 110.5 52.8 -77.7 -34.8 20.9 50.6 60.2 148 61 B Y H X S+ 0 0 2 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.897 109.0 52.9 -63.4 -38.8 18.3 48.2 61.5 149 62 B Q H X S+ 0 0 90 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.917 108.5 49.1 -60.9 -43.6 16.9 51.1 63.6 150 63 B K H X S+ 0 0 98 -4,-1.9 4,-1.2 1,-0.2 3,-0.4 0.918 110.1 51.7 -62.5 -42.6 16.6 53.2 60.4 151 64 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-0.4 0.893 108.7 50.5 -58.2 -43.8 14.9 50.4 58.6 152 65 B L H < S+ 0 0 25 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.713 100.8 62.2 -72.9 -23.1 12.3 50.0 61.4 153 66 B E H < S+ 0 0 157 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.883 115.3 34.3 -62.6 -37.3 11.5 53.7 61.4 154 67 B L H < S+ 0 0 69 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.1 0.828 135.2 24.3 -87.6 -37.8 10.3 53.3 57.8 155 68 B D >< + 0 0 57 -4,-2.4 3,-1.9 -5,-0.2 -1,-0.2 -0.726 68.9 178.8-131.3 77.3 8.9 49.8 58.2 156 69 B P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.750 78.1 54.0 -54.2 -26.9 8.0 49.2 61.8 157 70 B N T 3 + 0 0 152 4,-0.0 2,-1.0 5,-0.0 3,-0.1 0.200 68.5 128.6 -98.2 14.0 6.6 45.7 61.3 158 71 B N <> - 0 0 7 -3,-1.9 4,-2.0 1,-0.2 5,-0.2 -0.618 40.1-169.1 -67.5 100.1 9.7 44.3 59.6 159 72 B A H > S+ 0 0 52 -2,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.836 80.2 53.1 -67.4 -33.6 10.1 41.2 61.8 160 73 B E H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.883 107.3 51.6 -71.9 -38.4 13.5 40.2 60.5 161 74 B A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.940 112.1 47.6 -59.7 -46.4 14.9 43.7 61.1 162 75 B K H X S+ 0 0 152 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.925 113.5 47.6 -59.5 -47.6 13.6 43.4 64.7 163 76 B Q H X S+ 0 0 129 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.928 114.1 45.2 -60.2 -46.4 15.1 39.9 65.2 164 77 B N H X S+ 0 0 48 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.853 109.2 57.3 -72.4 -33.1 18.4 40.8 63.8 165 78 B L H X S+ 0 0 23 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.931 108.8 46.2 -56.6 -49.3 18.5 44.0 65.9 166 79 B G H X S+ 0 0 35 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.893 112.5 49.6 -64.4 -38.2 18.1 42.0 69.0 167 80 B N H X S+ 0 0 63 -4,-2.0 4,-0.9 2,-0.2 3,-0.3 0.935 110.5 50.5 -62.4 -47.5 20.7 39.5 68.0 168 81 B A H >X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 3,-0.7 0.893 107.5 54.1 -59.2 -41.8 23.2 42.3 67.2 169 82 B K H 3X S+ 0 0 89 -4,-2.3 4,-0.6 1,-0.3 -1,-0.2 0.848 104.6 54.5 -62.9 -32.3 22.6 44.0 70.6 170 83 B Q H 3< S+ 0 0 154 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.737 115.8 39.6 -71.3 -22.7 23.4 40.7 72.3 171 84 B K H << S+ 0 0 96 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.582 93.0 82.9 -98.6 -11.1 26.7 40.7 70.4 172 85 B Q H < 0 0 97 -4,-1.2 -2,-0.1 1,-0.3 -3,-0.1 0.775 360.0 360.0 -69.4 -33.5 27.6 44.4 70.6 173 86 B G < 0 0 116 -4,-0.6 -1,-0.3 -3,-0.0 -2,-0.2 -0.104 360.0 360.0-152.9 360.0 29.0 43.9 74.1