==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 11-NOV-05 2D6C . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR T.HAYASHI,D.MURATA,M.MAKINO,H.SUGIMOTO,T.MATSUO,H.SATO, . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 78.6 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 . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 1 0 2 0 0 0 0 0 2 1 1 2 0 0 3 0 1 0 0 0 2 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 V 0 0 167 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 167.1 23.2 5.8 33.3 2 2 A L - 0 0 19 77,-0.1 2,-0.1 131,-0.1 128,-0.0 -0.861 360.0-128.0-115.6 152.7 20.1 7.9 33.9 3 3 A S > - 0 0 60 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.430 31.1-102.2 -93.1 171.9 19.4 10.0 37.0 4 4 A E H > S+ 0 0 132 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.848 126.4 51.9 -61.8 -32.6 16.3 10.0 39.1 5 5 A G H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.939 109.5 46.8 -68.5 -47.7 15.4 13.2 37.3 6 6 A E H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.909 112.9 50.0 -60.4 -42.4 15.9 11.7 33.9 7 7 A W H X S+ 0 0 16 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.836 107.0 55.9 -65.0 -32.3 13.9 8.6 35.0 8 8 A Q H X S+ 0 0 100 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.911 107.5 49.4 -65.2 -42.6 11.2 11.0 36.2 9 9 A L H X S+ 0 0 34 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.942 112.2 46.5 -61.3 -50.6 11.0 12.6 32.8 10 10 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.891 114.9 45.6 -61.1 -43.3 10.7 9.3 30.9 11 11 A L H X S+ 0 0 52 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.805 109.7 55.6 -72.3 -28.5 8.1 7.8 33.2 12 12 A H H X S+ 0 0 95 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.886 111.3 44.6 -69.6 -38.8 6.0 11.0 33.2 13 13 A V H >X S+ 0 0 2 -4,-1.9 3,-1.5 1,-0.2 4,-1.3 0.958 111.2 51.7 -68.5 -52.5 5.9 10.9 29.4 14 14 A W H 3X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.3 5,-0.3 0.805 98.3 66.6 -56.3 -32.4 5.1 7.2 29.2 15 15 A A H 3< S+ 0 0 58 -4,-1.5 4,-0.4 1,-0.2 -1,-0.3 0.858 103.6 46.7 -57.7 -34.4 2.2 7.7 31.6 16 16 A K H << S+ 0 0 82 -3,-1.5 3,-0.3 -4,-0.6 -1,-0.2 0.844 110.0 53.5 -74.8 -35.1 0.5 9.7 28.9 17 17 A V H >< S+ 0 0 0 -4,-1.3 3,-2.2 1,-0.2 7,-0.3 0.947 107.7 48.8 -63.8 -49.7 1.3 7.0 26.3 18 18 A E G >< S+ 0 0 65 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.626 95.6 73.8 -66.8 -12.2 -0.3 4.3 28.4 19 19 A A G 3 S+ 0 0 84 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.663 122.4 10.8 -72.8 -14.6 -3.3 6.7 28.7 20 20 A D G <> S+ 0 0 65 -3,-2.2 4,-2.7 -4,-0.2 -1,-0.3 -0.309 78.2 156.3-159.8 59.9 -3.8 5.7 25.1 21 21 A V H <> S+ 0 0 31 -3,-0.7 4,-3.7 1,-0.2 5,-0.2 0.923 74.4 55.9 -57.3 -49.5 -1.5 2.8 24.2 22 22 A A H > S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 113.4 41.7 -51.4 -45.9 -3.6 1.5 21.4 23 23 A G H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 117.1 46.0 -68.7 -46.0 -3.5 4.9 19.7 24 24 A H H X S+ 0 0 2 -4,-2.7 4,-2.1 -7,-0.3 -2,-0.2 0.836 111.0 55.9 -65.2 -31.9 0.2 5.4 20.5 25 25 A G H X S+ 0 0 1 -4,-3.7 4,-2.7 -5,-0.2 5,-0.3 0.902 106.8 47.8 -67.2 -43.0 0.9 1.9 19.3 26 26 A Q H X S+ 0 0 22 -4,-1.8 4,-3.3 -5,-0.2 5,-0.4 0.965 112.9 47.5 -62.4 -53.4 -0.7 2.4 15.9 27 27 A D H X S+ 0 0 54 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.923 116.3 44.8 -53.7 -48.5 1.2 5.6 15.2 28 28 A I H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.906 117.5 42.0 -66.1 -44.4 4.5 4.1 16.3 29 29 A L H X S+ 0 0 5 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.939 117.7 46.8 -69.2 -44.7 4.2 0.8 14.5 30 30 A I H X S+ 0 0 7 -4,-3.3 4,-2.2 -5,-0.3 -2,-0.2 0.887 113.7 49.9 -62.0 -38.2 2.8 2.5 11.3 31 31 A R H X S+ 0 0 62 -4,-2.3 4,-1.9 -5,-0.4 -1,-0.2 0.872 111.9 48.8 -66.6 -37.5 5.6 5.1 11.7 32 32 A L H X S+ 0 0 13 -4,-2.0 4,-2.2 2,-0.2 7,-0.2 0.909 112.7 46.0 -68.5 -45.0 8.1 2.2 12.0 33 33 A F H < S+ 0 0 3 -4,-2.9 7,-0.2 2,-0.2 -2,-0.2 0.873 113.2 49.1 -68.1 -38.6 6.8 0.3 9.0 34 34 A K H < S+ 0 0 122 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.949 115.7 42.7 -65.6 -49.3 6.6 3.4 6.7 35 35 A S H < S+ 0 0 42 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.858 134.4 18.6 -65.4 -37.7 10.2 4.5 7.6 36 36 A H >< - 0 0 36 -4,-2.2 3,-1.9 -5,-0.2 4,-0.5 -0.612 66.4-179.6-137.7 75.6 11.6 0.9 7.4 37 37 A P T >> S+ 0 0 79 0, 0.0 3,-1.3 0, 0.0 4,-0.8 0.739 75.2 74.7 -45.6 -30.4 9.2 -1.4 5.4 38 38 A E H >> S+ 0 0 78 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.863 89.6 56.4 -54.9 -39.1 11.7 -4.3 5.9 39 39 A T H X4 S+ 0 0 4 -3,-1.9 3,-0.8 1,-0.2 -1,-0.3 0.758 93.7 70.0 -65.1 -24.3 10.6 -4.7 9.6 40 40 A L H X4 S+ 0 0 29 -3,-1.3 3,-1.8 -4,-0.5 -1,-0.2 0.892 87.3 65.6 -58.6 -40.7 7.0 -5.1 8.4 41 41 A E H << S+ 0 0 150 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.836 83.6 75.6 -49.7 -39.8 8.0 -8.5 7.0 42 42 A K T << S+ 0 0 78 -3,-0.8 2,-0.5 -4,-0.5 -1,-0.3 0.434 85.5 72.4 -58.1 -0.6 8.6 -9.7 10.5 43 43 A F X - 0 0 53 -3,-1.8 3,-0.7 3,-0.2 -1,-0.0 -0.982 64.4-162.5-121.2 124.8 4.8 -10.0 11.1 44 44 A D T 3 S+ 0 0 121 -2,-0.5 3,-0.5 1,-0.2 -1,-0.1 0.786 89.4 63.1 -78.3 -27.7 3.0 -12.8 9.4 45 45 A R T 3 S+ 0 0 107 1,-0.3 -1,-0.2 2,-0.1 2,-0.2 0.561 100.9 62.7 -72.1 -6.2 -0.4 -11.3 9.8 46 46 A F < + 0 0 7 -3,-0.7 -1,-0.3 -6,-0.2 -3,-0.2 -0.471 54.3 115.0-119.7 62.2 1.0 -8.5 7.6 47 47 A K S S+ 0 0 187 -3,-0.5 -1,-0.1 -2,-0.2 -2,-0.1 0.114 94.3 31.9-105.9 15.8 1.9 -10.0 4.2 48 48 A H S S+ 0 0 118 -3,-0.2 2,-0.7 1,-0.0 -2,-0.1 0.528 78.7 112.9-143.0 -25.6 -0.8 -7.8 2.8 49 49 A L + 0 0 12 1,-0.2 -3,-0.0 -4,-0.1 -1,-0.0 -0.444 34.6 149.9 -60.9 106.6 -1.1 -4.5 4.7 50 50 A K + 0 0 165 -2,-0.7 -1,-0.2 -3,-0.0 -4,-0.0 0.849 46.2 54.6-104.7 -63.6 0.1 -2.0 2.1 51 51 A T S > S- 0 0 69 1,-0.1 4,-1.1 4,-0.0 5,-0.1 -0.121 83.0-116.8 -68.8 171.8 -1.6 1.4 2.5 52 52 A E H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.884 116.8 57.2 -76.0 -39.8 -1.5 3.4 5.8 53 53 A A H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.866 103.6 53.4 -57.7 -38.9 -5.3 3.2 5.9 54 54 A E H > S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 109.7 47.7 -63.5 -40.7 -5.0 -0.6 5.8 55 55 A M H < S+ 0 0 8 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.861 108.3 55.9 -66.7 -35.6 -2.6 -0.4 8.8 56 56 A K H < S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.786 113.4 40.4 -67.1 -29.1 -5.0 1.9 10.6 57 57 A A H < S+ 0 0 78 -4,-1.4 2,-0.3 -3,-0.2 -1,-0.2 0.695 84.5 112.9 -93.5 -22.8 -7.8 -0.7 10.3 58 58 A S X - 0 0 18 -4,-1.7 4,-1.6 1,-0.2 5,-0.1 -0.344 51.2-161.4 -56.8 114.6 -5.7 -3.8 11.0 59 59 A E H > S+ 0 0 117 -2,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.916 93.1 51.9 -63.0 -42.6 -7.0 -5.2 14.3 60 60 A D H > S+ 0 0 58 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.960 103.3 56.2 -56.5 -55.6 -3.7 -7.2 14.6 61 61 A L H > S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.867 110.5 47.2 -44.6 -42.5 -1.6 -4.1 14.0 62 62 A K H X S+ 0 0 71 -4,-1.6 4,-1.6 2,-0.2 -1,-0.3 0.917 109.1 51.1 -69.9 -44.0 -3.3 -2.5 16.9 63 63 A K H X S+ 0 0 132 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.883 111.0 50.6 -59.9 -38.8 -3.0 -5.5 19.3 64 64 A H H X S+ 0 0 33 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.825 103.9 57.7 -69.0 -32.6 0.7 -5.6 18.5 65 65 A G H X S+ 0 0 0 -4,-1.4 4,-1.6 -5,-0.3 5,-0.2 0.869 107.1 49.1 -65.6 -34.9 1.1 -1.9 19.2 66 66 A V H X S+ 0 0 47 -4,-1.6 4,-2.1 1,-0.2 5,-0.2 0.850 106.4 56.4 -71.7 -36.2 -0.3 -2.6 22.7 67 67 A T H X S+ 0 0 90 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.933 109.4 44.8 -62.5 -47.4 2.1 -5.5 23.3 68 68 A V H X S+ 0 0 53 -4,-1.9 4,-3.9 2,-0.2 5,-0.3 0.976 117.2 40.7 -61.4 -61.0 5.3 -3.4 22.6 69 69 A L H X S+ 0 0 3 -4,-1.6 4,-3.7 2,-0.2 5,-0.3 0.899 114.3 55.0 -56.6 -43.1 4.4 -0.3 24.6 70 70 A T H X S+ 0 0 76 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.958 116.3 36.9 -54.1 -54.0 3.0 -2.4 27.4 71 71 A A H X S+ 0 0 34 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.925 118.4 49.5 -66.1 -46.5 6.2 -4.4 27.7 72 72 A L H X S+ 0 0 19 -4,-3.9 4,-2.7 1,-0.2 5,-0.2 0.925 110.0 51.4 -60.1 -45.1 8.5 -1.4 27.0 73 73 A G H X S+ 0 0 0 -4,-3.7 4,-2.0 -5,-0.3 -1,-0.2 0.887 108.5 52.6 -58.7 -38.3 6.7 0.6 29.6 74 74 A A H < S+ 0 0 47 -4,-1.7 4,-0.4 -5,-0.3 -1,-0.2 0.903 111.1 46.7 -63.4 -41.5 7.2 -2.2 32.1 75 75 A I H ><>S+ 0 0 8 -4,-2.2 3,-0.9 1,-0.2 5,-0.6 0.883 111.3 50.5 -68.1 -40.7 10.9 -2.2 31.3 76 76 A L H ><5S+ 0 0 5 -4,-2.7 3,-1.9 1,-0.2 -1,-0.2 0.855 102.4 60.8 -66.6 -35.7 11.2 1.6 31.7 77 77 A K T 3<5S+ 0 0 104 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.670 93.1 66.4 -66.0 -16.2 9.4 1.5 35.0 78 78 A K T X 5S- 0 0 74 -3,-0.9 3,-2.0 -4,-0.4 -1,-0.3 0.588 96.5-146.1 -79.8 -10.4 12.2 -0.7 36.3 79 79 A K T < 5S- 0 0 49 -3,-1.9 -77,-0.1 1,-0.3 -3,-0.1 0.836 72.1 -33.7 47.9 42.2 14.5 2.3 35.8 80 80 A G T 3 > + 0 0 5 -2,-1.4 4,-2.1 2,-0.1 3,-0.6 0.208 26.9 117.6-127.5 9.2 15.4 -4.9 34.1 83 83 A E H 3> S+ 0 0 133 -3,-0.3 4,-1.2 1,-0.3 3,-0.2 0.904 80.5 47.5 -46.6 -53.0 18.0 -7.6 33.4 84 84 A A H 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.831 110.4 54.2 -60.5 -33.2 15.7 -10.4 34.4 85 85 A E H <> S+ 0 0 68 -3,-0.6 4,-1.0 1,-0.2 -1,-0.2 0.882 105.8 52.3 -68.7 -38.1 12.9 -8.9 32.3 86 86 A L H X S+ 0 0 0 -4,-2.1 4,-3.4 -3,-0.2 5,-0.4 0.739 91.5 77.8 -71.1 -24.1 15.1 -8.8 29.2 87 87 A K H X S+ 0 0 115 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.953 101.4 35.4 -51.7 -59.8 16.1 -12.5 29.4 88 88 A P H > S+ 0 0 78 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.895 117.4 56.7 -62.9 -37.2 12.8 -13.9 28.0 89 89 A L H X S+ 0 0 42 -4,-1.0 4,-2.5 1,-0.2 5,-0.3 0.960 110.3 40.8 -56.4 -58.2 12.6 -10.9 25.6 90 90 A A H X S+ 0 0 2 -4,-3.4 4,-2.2 1,-0.2 5,-0.5 0.859 112.4 60.0 -59.9 -35.4 16.0 -11.4 24.0 91 91 A Q H X>S+ 0 0 90 -4,-2.1 4,-1.7 -5,-0.4 5,-0.8 0.946 112.2 34.9 -58.0 -53.9 15.2 -15.1 24.0 92 92 A S H <>S+ 0 0 30 -4,-2.6 5,-1.3 3,-0.2 6,-0.4 0.892 122.1 43.8 -71.0 -43.5 12.1 -14.8 21.8 93 93 A H H <5S+ 0 0 73 -4,-2.5 6,-3.3 -5,-0.2 -2,-0.2 0.822 118.4 43.9 -73.8 -32.0 13.2 -12.0 19.5 94 94 A A H <5S+ 0 0 1 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.972 131.0 17.2 -76.5 -56.8 16.7 -13.3 19.0 95 95 A T T <5S+ 0 0 70 -4,-1.7 -3,-0.2 -5,-0.5 -2,-0.1 0.953 129.6 40.3 -83.1 -54.9 15.9 -17.0 18.4 96 96 A K T > - 0 0 45 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.322 17.5-119.7 -67.8 148.6 18.3 -7.6 14.5 101 101 A I H 3> S+ 0 0 40 1,-0.3 4,-1.6 2,-0.2 3,-0.4 0.796 112.1 71.7 -58.0 -27.4 19.3 -5.1 17.1 102 102 A K H 3> S+ 0 0 119 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.832 92.2 56.3 -57.2 -33.6 19.1 -2.5 14.3 103 103 A Y H <> S+ 0 0 45 -3,-1.7 4,-2.7 2,-0.2 -1,-0.3 0.883 100.5 56.5 -66.0 -39.7 15.3 -2.9 14.3 104 104 A L H X S+ 0 0 24 -4,-0.8 4,-1.4 -3,-0.4 -1,-0.2 0.897 107.3 50.5 -58.4 -39.5 15.3 -2.0 18.0 105 105 A E H X S+ 0 0 96 -4,-1.6 4,-1.9 2,-0.2 3,-0.2 0.938 108.5 52.0 -63.1 -46.7 17.0 1.2 16.9 106 106 A F H X S+ 0 0 25 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.918 109.5 47.7 -56.4 -48.0 14.4 1.8 14.2 107 107 A I H X S+ 0 0 31 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.792 108.6 56.1 -65.8 -26.6 11.5 1.5 16.6 108 108 A S H X S+ 0 0 10 -4,-1.4 4,-2.5 -5,-0.2 -1,-0.2 0.880 106.2 50.2 -70.5 -38.1 13.3 3.8 19.0 109 109 A E H X S+ 0 0 43 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.922 112.3 47.7 -63.8 -44.1 13.5 6.4 16.2 110 110 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.855 111.2 51.2 -65.4 -37.0 9.7 5.9 15.7 111 111 A I H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.923 112.3 44.7 -67.9 -45.2 9.0 6.2 19.4 112 112 A I H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.959 114.5 49.9 -62.5 -50.3 10.9 9.5 19.8 113 113 A H H X S+ 0 0 40 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.876 113.9 44.8 -55.1 -44.3 9.4 10.9 16.6 114 114 A V H X S+ 0 0 7 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.873 113.3 48.7 -71.5 -39.0 5.8 10.0 17.7 115 115 A L H X S+ 0 0 0 -4,-2.3 4,-3.6 2,-0.2 -2,-0.2 0.880 110.5 52.4 -68.6 -37.0 6.2 11.2 21.3 116 116 A H H < S+ 0 0 29 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.891 113.5 42.8 -64.9 -39.5 7.7 14.5 20.0 117 117 A S H < S+ 0 0 84 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.722 124.5 37.7 -79.1 -21.5 4.7 15.1 17.7 118 118 A R H < S+ 0 0 90 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.2 0.830 119.6 37.2 -99.9 -38.7 2.2 14.0 20.3 119 119 A H >X + 0 0 15 -4,-3.6 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-1,-0.3 -3,-0.1 -2,-0.2 0.450 125.3-115.5 -73.1 2.0 22.5 -16.6 23.6 150 150 A G T < 5 - 0 0 49 -3,-0.7 2,-0.7 1,-0.2 -3,-0.3 0.729 48.7-179.8 70.5 22.3 25.3 -16.3 21.1 151 151 A Y < + 0 0 51 -5,-3.8 2,-0.5 -6,-0.2 -1,-0.2 -0.408 9.4 162.8 -61.6 103.6 23.0 -14.5 18.7 152 152 A Q 0 0 165 -2,-0.7 -1,-0.1 -3,-0.2 -5,-0.0 -0.931 360.0 360.0-130.2 109.1 25.2 -13.8 15.8 153 153 A G 0 0 91 -2,-0.5 -55,-0.0 0, 0.0 0, 0.0 -0.097 360.0 360.0 -86.7 360.0 23.6 -12.8 12.5 154 !* 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 0.0 155 1 B V 0 0 152 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 173.7 37.2 27.9 20.1 156 2 B L - 0 0 22 77,-0.1 2,-0.1 132,-0.0 128,-0.0 -0.983 360.0-126.0-146.7 157.5 37.5 31.7 20.0 157 3 B S > - 0 0 55 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.422 37.0-107.3 -91.9 170.4 39.1 34.7 21.6 158 4 B E H > S+ 0 0 118 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.891 122.3 52.4 -65.3 -38.3 37.2 37.8 22.8 159 5 B G H >> S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 3,-0.6 0.927 108.7 46.0 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179 25 B G H X S+ 0 0 0 -4,-3.9 4,-2.5 2,-0.2 5,-0.3 0.940 108.8 48.0 -62.0 -47.8 18.2 36.7 5.0 180 26 B Q H X S+ 0 0 28 -4,-2.9 4,-3.3 -5,-0.2 5,-0.3 0.967 111.3 49.5 -56.1 -57.8 16.9 36.5 1.4 181 27 B D H X S+ 0 0 45 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.885 112.0 49.0 -49.2 -47.8 20.4 36.4 -0.1 182 28 B I H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.954 115.0 42.2 -60.3 -53.3 21.5 33.6 2.2 183 29 B L H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.907 112.9 53.8 -62.0 -42.7 18.5 31.4 1.6 184 30 B I H X S+ 0 0 12 -4,-3.3 4,-2.0 -5,-0.3 -1,-0.2 0.896 110.3 47.8 -58.9 -40.2 18.5 32.1 -2.1 185 31 B R H X S+ 0 0 77 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.909 110.7 52.5 -65.9 -42.6 22.1 31.0 -2.2 186 32 B L H X S+ 0 0 10 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.935 112.8 42.2 -58.1 -51.6 21.3 27.9 -0.2 187 33 B F H < S+ 0 0 5 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.847 117.2 47.9 -66.5 -35.5 18.5 26.8 -2.5 188 34 B K H < S+ 0 0 165 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.897 119.6 37.8 -71.6 -42.4 20.5 27.7 -5.7 189 35 B S H < S+ 0 0 35 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.650 135.8 23.6 -82.8 -16.6 23.6 25.9 -4.4 190 36 B H >< + 0 0 34 -4,-1.6 3,-2.3 -5,-0.3 -1,-0.3 -0.553 62.1 176.6-151.2 77.7 21.5 23.1 -2.9 191 37 B P G > S+ 0 0 72 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.802 77.1 76.6 -51.5 -32.4 18.0 22.7 -4.5 192 38 B E G 3 S+ 0 0 82 1,-0.3 3,-0.2 2,-0.2 -5,-0.1 0.551 85.5 65.0 -58.7 -6.9 17.5 19.7 -2.2 193 39 B T G X> S+ 0 0 3 -3,-2.3 3,-0.9 -7,-0.2 4,-0.5 0.644 88.5 62.3 -91.9 -17.8 16.9 22.2 0.6 194 40 B L T <4 S+ 0 0 11 -3,-2.3 6,-0.2 1,-0.2 -1,-0.2 0.470 85.6 79.1 -83.3 -1.0 13.8 23.7 -0.9 195 41 B E T 34 S+ 0 0 147 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.637 92.2 51.5 -77.5 -14.6 12.3 20.2 -0.4 196 42 B K T <4 S+ 0 0 72 -3,-0.9 2,-0.4 2,-0.0 -1,-0.2 0.787 103.8 64.4 -89.4 -33.0 11.9 21.2 3.2 197 43 B F < + 0 0 60 -4,-0.5 -1,-0.0 1,-0.1 0, 0.0 -0.771 57.6 179.1 -97.3 135.2 10.1 24.5 2.3 198 44 B D S S+ 0 0 138 -2,-0.4 4,-0.2 1,-0.1 -1,-0.1 0.685 74.0 62.9-107.9 -30.3 6.7 24.1 0.6 199 45 B R S S+ 0 0 196 2,-0.1 2,-0.3 15,-0.0 16,-0.1 0.548 110.2 55.7 -77.1 -3.2 5.4 27.6 0.1 200 46 B F S S+ 0 0 6 -6,-0.2 4,-0.0 1,-0.1 9,-0.0 -0.837 70.2 65.3-124.7 170.7 8.4 27.9 -2.0 201 47 B K S S+ 0 0 112 -2,-0.3 -1,-0.1 -6,-0.0 -2,-0.1 -0.237 88.0 77.1 108.8 -28.5 10.0 26.2 -5.0 202 48 B H S S+ 0 0 164 -4,-0.2 2,-0.7 2,-0.0 -2,-0.0 0.109 78.5 106.3 -84.1 26.2 7.3 27.1 -7.3 203 49 B L + 0 0 28 1,-0.2 6,-0.1 9,-0.0 -3,-0.0 -0.943 51.3 173.4-105.5 108.7 9.4 30.2 -6.8 204 50 B K + 0 0 115 -2,-0.7 -1,-0.2 -4,-0.0 -2,-0.0 0.973 43.7 36.1 -82.8 -83.3 11.4 30.6 -10.0 205 51 B T S > S- 0 0 70 1,-0.1 4,-2.2 4,-0.0 5,-0.1 -0.098 78.2-110.3 -74.5 172.7 13.6 33.7 -10.5 206 52 B E H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.771 123.3 59.2 -72.2 -25.1 15.7 35.6 -8.1 207 53 B A H > S+ 0 0 70 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.923 107.6 43.6 -67.1 -44.6 13.0 38.3 -8.6 208 54 B E H > S+ 0 0 81 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.876 115.9 47.1 -68.9 -39.0 10.4 35.9 -7.4 209 55 B M H < S+ 0 0 16 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.866 112.9 48.9 -71.4 -35.5 12.5 34.7 -4.5 210 56 B K H < S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.713 111.7 51.7 -75.1 -19.1 13.4 38.3 -3.5 211 57 B A H < S+ 0 0 70 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.798 79.9 109.2 -86.5 -33.4 9.8 39.2 -3.7 212 58 B S X - 0 0 20 -4,-1.5 4,-2.0 1,-0.2 5,-0.1 -0.278 47.9-168.0 -50.3 112.1 8.4 36.4 -1.5 213 59 B E H > S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.822 93.5 55.3 -69.6 -29.9 7.2 38.0 1.7 214 60 B D H > S+ 0 0 46 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.939 108.5 43.6 -65.9 -51.1 7.1 34.4 2.9 215 61 B L H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.842 110.1 58.0 -64.4 -34.5 10.7 33.7 2.0 216 62 B K H X S+ 0 0 68 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.902 103.0 53.7 -61.9 -41.5 11.7 37.1 3.5 217 63 B K H X S+ 0 0 126 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.890 107.0 50.3 -61.4 -41.8 10.1 35.9 6.8 218 64 B H H X S+ 0 0 68 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.800 107.1 55.6 -68.2 -28.0 12.2 32.8 6.9 219 65 B G H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 5,-0.3 0.912 107.3 48.2 -69.6 -42.0 15.3 34.8 6.3 220 66 B V H X S+ 0 0 45 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.847 110.1 54.1 -65.9 -33.4 14.6 37.0 9.3 221 67 B T H X S+ 0 0 90 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.915 109.4 45.9 -67.8 -44.4 14.0 33.8 11.4 222 68 B V H X S+ 0 0 48 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.973 116.4 42.7 -62.9 -56.5 17.4 32.2 10.5 223 69 B L H X S+ 0 0 2 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.885 113.4 56.3 -57.4 -39.6 19.5 35.3 11.1 224 70 B T H X S+ 0 0 82 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.958 111.8 38.5 -57.2 -57.9 17.5 36.1 14.2 225 71 B A H X S+ 0 0 42 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.919 119.7 47.6 -61.3 -46.0 18.2 32.7 15.9 226 72 B L H X S+ 0 0 20 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.909 107.8 54.6 -63.4 -43.2 21.8 32.6 14.7 227 73 B G H X S+ 0 0 0 -4,-3.2 4,-2.0 -5,-0.3 -1,-0.2 0.885 108.8 51.4 -57.2 -36.3 22.5 36.1 15.8 228 74 B A H X S+ 0 0 49 -4,-1.7 4,-0.6 -5,-0.2 -2,-0.2 0.920 111.0 45.9 -65.8 -45.9 21.2 35.0 19.2 229 75 B I H >X>S+ 0 0 9 -4,-2.1 3,-1.0 1,-0.2 4,-0.5 0.924 112.2 50.2 -64.2 -46.0 23.6 32.0 19.3 230 76 B L H ><5S+ 0 0 3 -4,-3.1 3,-1.8 1,-0.3 -1,-0.2 0.908 105.5 56.6 -59.5 -43.4 26.6 34.0 18.1 231 77 B K H 3<5S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.694 96.6 65.6 -63.1 -17.9 26.0 36.7 20.7 232 78 B K H X<5S- 0 0 75 -3,-1.0 3,-1.2 -4,-0.6 -1,-0.3 0.733 98.3-143.6 -75.5 -21.8 26.2 34.0 23.4 233 79 B K T <<5 - 0 0 51 -3,-1.8 -3,-0.1 -4,-0.5 -2,-0.1 0.941 69.5 -37.8 59.7 54.2 29.8 33.5 22.4 234 80 B G T 3 > + 0 0 4 -2,-1.8 4,-1.8 1,-0.1 3,-1.0 0.306 28.4 117.4-109.6 3.3 24.9 28.5 23.7 237 83 B E H >> S+ 0 0 92 -3,-0.4 4,-0.9 1,-0.3 3,-0.7 0.873 79.0 46.6 -35.9 -60.6 24.4 25.0 25.1 238 84 B A H 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.803 111.0 51.7 -56.9 -36.1 20.9 25.8 26.4 239 85 B E H <> S+ 0 0 61 -3,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.759 102.1 59.4 -76.8 -24.8 19.8 27.4 23.1 240 86 B L H S+ 0 0 70 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.913 120.8 52.3 -60.6 -40.8 15.2 23.3 21.4 243 89 B L H X S+ 0 0 44 -4,-1.1 4,-1.9 1,-0.2 5,-0.2 0.937 113.1 43.1 -58.8 -49.7 16.7 24.3 18.1 244 90 B A H X S+ 0 0 1 -4,-3.3 4,-2.2 1,-0.2 5,-0.5 0.843 111.0 57.0 -66.5 -34.5 18.3 20.9 17.5 245 91 B Q H X>S+ 0 0 22 -4,-2.4 4,-1.7 -5,-0.3 5,-0.7 0.911 110.8 41.0 -65.3 -43.3 15.1 19.1 18.7 246 92 B S H X>S+ 0 0 36 -4,-2.2 5,-2.1 3,-0.2 4,-0.9 0.880 119.1 44.4 -73.3 -38.8 12.8 20.7 16.2 247 93 B H H <5S+ 0 0 70 -4,-1.9 6,-3.6 -5,-0.2 -2,-0.2 0.838 122.5 35.6 -75.2 -34.4 15.2 20.5 13.2 248 94 B A H <5S+ 0 0 1 -4,-2.2 4,-0.2 4,-0.2 -3,-0.2 0.928 128.5 31.1 -84.1 -49.4 16.3 16.9 13.8 249 95 B T H <5S+ 0 0 0 -4,-1.7 -3,-0.2 -5,-0.5 -2,-0.1 0.876 132.0 25.2 -79.1 -42.3 13.2 15.3 15.1 250 96 B K T <> - 0 0 52 0, 0.0 3,-2.2 0, 0.0 4,-0.8 -0.395 15.9-124.2 -71.7 147.4 20.7 16.8 8.2 255 101 B I H 3> S+ 0 0 40 1,-0.3 4,-0.9 2,-0.2 5,-0.1 0.618 108.6 78.8 -63.4 -9.2 23.7 18.5 9.7 256 102 B K H 3> S+ 0 0 123 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.740 90.4 48.5 -70.5 -26.9 24.8 18.5 6.1 257 103 B Y H <> S+ 0 0 27 -3,-2.2 4,-3.4 2,-0.2 5,-0.3 0.771 100.7 64.2 -83.4 -29.9 22.6 21.5 5.4 258 104 B L H X S+ 0 0 26 -4,-0.8 4,-0.8 1,-0.2 -2,-0.2 0.825 108.6 42.8 -60.8 -30.5 24.0 23.3 8.5 259 105 B E H X S+ 0 0 106 -4,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.880 111.6 54.3 -80.2 -42.3 27.3 23.1 6.5 260 106 B F H X S+ 0 0 30 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.902 111.1 44.5 -57.7 -44.7 25.5 24.1 3.3 261 107 B I H X S+ 0 0 30 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.788 107.7 59.2 -72.7 -27.9 24.0 27.2 4.9 262 108 B S H X S+ 0 0 6 -4,-0.8 4,-2.4 -5,-0.3 5,-0.2 0.924 108.0 44.9 -66.2 -43.5 27.3 28.1 6.6 263 109 B E H X S+ 0 0 63 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.865 111.7 54.8 -66.8 -34.3 29.0 28.3 3.2 264 110 B A H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.893 109.2 47.3 -64.9 -40.3 26.0 30.3 2.0 265 111 B I H X S+ 0 0 6 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.913 114.3 44.2 -68.9 -44.6 26.5 32.8 4.8 266 112 B I H X S+ 0 0 19 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.851 114.0 52.7 -68.1 -32.6 30.2 33.2 4.2 267 113 B H H X S+ 0 0 74 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.866 113.3 44.0 -68.0 -37.5 29.5 33.4 0.5 268 114 B V H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.892 114.2 46.7 -75.3 -43.4 26.9 36.1 1.1 269 115 B L H X S+ 0 0 4 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.826 112.7 52.4 -68.7 -30.5 29.0 38.2 3.6 270 116 B H H < S+ 0 0 93 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.861 117.9 34.6 -73.8 -37.2 32.0 38.0 1.3 271 117 B S H < S+ 0 0 83 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.734 124.8 43.1 -88.6 -25.2 30.2 39.2 -1.8 272 118 B R H < S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.590 126.3 31.4 -94.5 -14.3 27.9 41.6 0.1 273 119 B H X + 0 0 29 -4,-1.1 4,-0.5 -5,-0.2 -1,-0.2 -0.478 60.0 149.9-145.3 71.7 30.7 42.9 2.4 274 120 B P T >4 S+ 0 0 93 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.949 77.0 53.9 -67.2 -47.9 34.2 43.0 0.8 275 121 B G T 34 S+ 0 0 81 1,-0.2 -2,-0.1 3,-0.0 -5,-0.1 0.790 122.2 25.6 -57.0 -35.2 35.4 46.0 2.9 276 122 B D T 34 S+ 0 0 44 -7,-0.2 -1,-0.2 -109,-0.0 2,-0.2 0.143 118.3 59.4-120.6 18.7 34.5 44.6 6.3 277 123 B F << + 0 0 6 -3,-0.9 2,-0.3 -4,-0.5 3,-0.2 -0.639 67.5 83.4-126.6-174.4 34.7 40.8 5.6 278 124 B G S >> S- 0 0 16 -2,-0.2 4,-6.1 1,-0.2 3,-2.4 -0.737 98.0 -16.0 111.1-165.6 37.6 38.9 4.4 279 125 B A H 3>>S+ 0 0 93 1,-0.3 4,-1.4 -2,-0.3 5,-0.5 0.878 131.0 55.1 -41.8 -62.0 40.6 37.4 6.3 280 126 B D H 345S+ 0 0 104 -3,-0.2 -1,-0.3 1,-0.2 -117,-0.1 0.569 131.8 15.3 -53.7 -10.3 40.1 39.4 9.5 281 127 B A H <>5S+ 0 0 3 -3,-2.4 4,-3.8 3,-0.1 5,-0.4 0.526 114.0 72.6-134.2 -29.1 36.6 38.1 9.7 282 128 B Q H X5S+ 0 0 57 -4,-6.1 4,-1.9 1,-0.2 -3,-0.2 0.964 106.4 38.6 -54.6 -57.9 36.4 35.2 7.3 283 129 B G H X5S+ 0 0 33 -4,-1.4 4,-0.9 -5,-0.2 -1,-0.2 0.849 118.9 49.6 -63.4 -35.8 38.5 33.0 9.6 284 130 B A H >><>S+ 0 0 18 -4,-2.9 3,-1.5 1,-0.3 5,-1.3 0.954 112.1 38.6 -45.0 -61.8 21.4 16.0 17.6 301 147 B K H ><5S+ 0 0 147 -4,-2.5 3,-1.5 4,-0.3 -1,-0.3 0.849 110.0 63.7 -58.5 -35.6 23.0 12.7 18.6 302 148 B E H 3<5S+ 0 0 89 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.723 105.6 45.2 -62.2 -22.8 22.2 13.6 22.2 303 149 B L T <<5S- 0 0 8 -3,-1.5 -1,-0.3 -4,-1.4 -2,-0.2 0.353 135.2 -78.4-104.7 3.8 18.5 13.5 21.3 304 150 B G T < 5 0 0 29 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.687 360.0 360.0 109.3 23.1 18.5 10.2 19.3 305 151 B Y < 0 0 94 -5,-1.3 -4,-0.3 -6,-0.2 -5,-0.1 0.525 360.0 360.0-128.4 360.0 20.0 11.1 15.9