==== 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 OXYGEN STORAGE/TRANSPORT 26-NOV-02 1N9X . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR A.E.MIELE,G.SCIARA,L.FEDERICI,F.DRAGHI,M.BRUNORI,B.VALLONE . 154 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 81.8 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 . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.2 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 1 0 0 0 0 0 0 1 1 1 0 0 1 1 0 0 0 0 0 1 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 0 A M 0 0 93 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 31.8 23.6 10.6 -9.5 2 1 A V - 0 0 119 136,-0.0 2,-0.2 0, 0.0 79,-0.1 -0.963 360.0-132.5-116.9 128.4 26.8 11.7 -11.3 3 2 A L - 0 0 12 -2,-0.4 2,-0.1 77,-0.1 128,-0.0 -0.560 17.7-124.1 -79.7 147.3 28.5 14.9 -10.2 4 3 A S > - 0 0 60 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.456 26.3-109.5 -78.7 164.8 29.6 17.5 -12.7 5 4 A E H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.904 121.6 54.7 -61.0 -39.6 33.2 18.6 -12.8 6 5 A G H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.885 107.7 49.6 -61.1 -41.2 32.1 22.0 -11.4 7 6 A E H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.934 109.6 51.2 -62.4 -45.5 30.5 20.2 -8.5 8 7 A W H X S+ 0 0 14 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.900 106.9 54.6 -60.3 -38.3 33.6 18.2 -7.9 9 8 A Q H X S+ 0 0 86 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.898 106.3 50.9 -65.0 -35.0 35.7 21.4 -7.8 10 9 A L H X S+ 0 0 66 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.920 112.2 48.2 -66.1 -39.0 33.5 22.8 -5.1 11 10 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.950 114.9 43.9 -62.0 -49.3 34.0 19.6 -3.1 12 11 A L H X S+ 0 0 36 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.831 107.2 59.9 -71.9 -26.5 37.7 19.7 -3.6 13 12 A H H X S+ 0 0 100 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.915 111.3 39.6 -68.9 -39.6 38.0 23.4 -2.9 14 13 A V H >X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 3,-1.0 0.896 111.3 58.5 -76.6 -33.0 36.6 23.0 0.6 15 14 A W H 3X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.3 -2,-0.2 0.879 97.9 60.9 -64.2 -32.5 38.5 19.8 1.2 16 15 A A H 3< S+ 0 0 52 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.833 104.7 48.8 -60.4 -32.2 41.7 21.7 0.6 17 16 A K H X< S+ 0 0 87 -3,-1.0 3,-1.7 -4,-0.6 4,-0.5 0.904 107.2 54.3 -76.0 -39.0 40.8 23.8 3.6 18 17 A V H >< S+ 0 0 1 -4,-2.0 3,-1.8 1,-0.3 7,-0.3 0.925 101.7 61.5 -53.6 -43.9 40.1 20.7 5.7 19 18 A E T 3< S+ 0 0 92 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.586 83.2 76.3 -67.0 -7.3 43.6 19.6 4.8 20 19 A A T < S+ 0 0 90 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.824 124.3 1.6 -67.8 -29.4 45.2 22.6 6.5 21 20 A D S <> S+ 0 0 78 -3,-1.8 4,-2.0 -4,-0.5 -1,-0.3 -0.481 71.0 169.1-157.9 75.9 44.5 20.7 9.8 22 21 A V H > S+ 0 0 34 -3,-0.5 4,-2.5 1,-0.2 5,-0.2 0.899 79.4 57.2 -63.6 -36.4 42.8 17.3 9.2 23 22 A A H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 107.5 46.3 -60.0 -47.4 43.3 16.3 12.8 24 23 A G H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 112.9 49.8 -63.1 -40.4 41.4 19.3 14.2 25 24 A H H X S+ 0 0 3 -4,-2.0 4,-2.4 -7,-0.3 -1,-0.2 0.908 108.9 53.1 -64.8 -40.3 38.5 18.8 11.6 26 25 A G H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.883 107.7 50.9 -62.4 -40.1 38.3 15.1 12.6 27 26 A Q H X S+ 0 0 19 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.944 111.3 47.6 -62.7 -46.9 37.9 16.0 16.2 28 27 A D H X S+ 0 0 53 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.906 112.5 49.5 -61.2 -41.5 35.1 18.4 15.5 29 28 A I H X S+ 0 0 7 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.925 112.6 46.4 -65.9 -43.2 33.3 15.9 13.3 30 29 A Y H X S+ 0 0 8 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.918 112.5 50.0 -65.4 -42.7 33.5 13.1 15.8 31 30 A I H X S+ 0 0 12 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.939 113.1 47.0 -60.6 -44.6 32.3 15.4 18.6 32 31 A R H X S+ 0 0 100 -4,-2.5 4,-1.5 -5,-0.2 5,-0.4 0.936 112.6 49.9 -62.2 -45.5 29.4 16.6 16.5 33 32 A L H X S+ 0 0 8 -4,-2.7 4,-2.5 1,-0.2 3,-0.4 0.936 112.9 45.3 -58.3 -49.0 28.5 13.0 15.5 34 33 A F H < S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.780 116.1 46.7 -70.5 -23.4 28.5 11.7 19.1 35 34 A K H < S+ 0 0 104 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.584 117.4 40.9 -92.5 -13.9 26.6 14.7 20.4 36 35 A S H < S+ 0 0 44 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.2 0.759 134.2 19.7 -95.5 -39.2 23.9 14.7 17.7 37 36 A H >< + 0 0 41 -4,-2.5 3,-1.8 -5,-0.4 4,-0.4 -0.651 66.5 179.7-134.9 79.7 23.6 10.9 17.6 38 37 A P G >> S+ 0 0 83 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.780 74.9 71.5 -53.4 -29.1 24.9 9.3 20.8 39 38 A E G >4 S+ 0 0 68 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.817 86.7 66.7 -60.4 -29.3 24.1 5.7 19.7 40 39 A T G X4 S+ 0 0 6 -3,-1.8 3,-1.3 1,-0.2 4,-0.3 0.837 89.7 64.1 -62.8 -31.3 27.0 5.9 17.1 41 40 A L G X4 S+ 0 0 22 -3,-1.2 3,-1.5 -4,-0.4 -1,-0.2 0.840 89.8 67.7 -63.5 -28.9 29.6 6.0 19.9 42 41 A E G << S+ 0 0 149 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.730 89.0 65.1 -65.1 -20.3 28.5 2.5 21.0 43 42 A K G < S+ 0 0 75 -3,-1.3 2,-1.0 -4,-0.4 -1,-0.3 0.671 86.6 80.3 -75.6 -17.4 30.0 1.0 17.8 44 43 A F X> - 0 0 49 -3,-1.5 4,-2.3 -4,-0.3 3,-1.1 -0.754 60.6-171.1 -95.9 100.7 33.5 2.1 18.8 45 44 A D T 34 S+ 0 0 125 -2,-1.0 -1,-0.2 1,-0.3 4,-0.2 0.834 87.6 44.9 -59.6 -33.8 34.8 -0.5 21.3 46 45 A R T 34 S+ 0 0 129 1,-0.1 -1,-0.3 2,-0.1 16,-0.1 0.626 123.4 32.8 -84.6 -17.3 37.8 1.7 22.1 47 46 A F T X4 S+ 0 0 5 -3,-1.1 3,-2.1 -6,-0.2 -2,-0.2 0.484 85.5 98.9-117.7 -3.2 36.0 5.0 22.5 48 47 A K T 3< S+ 0 0 122 -4,-2.3 -3,-0.1 1,-0.3 -2,-0.1 0.650 77.9 62.5 -62.3 -17.9 32.6 4.0 23.9 49 48 A H T 3 S+ 0 0 121 -4,-0.2 -1,-0.3 -8,-0.1 2,-0.1 0.606 72.4 116.0 -81.0 -17.6 33.7 4.9 27.4 50 49 A L < - 0 0 16 -3,-2.1 3,-0.1 1,-0.1 -3,-0.0 -0.367 40.9-177.4 -58.7 127.0 34.2 8.6 26.6 51 50 A K + 0 0 176 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.697 55.0 26.8 -98.8 -29.3 31.7 10.6 28.7 52 51 A T S > S- 0 0 66 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.904 75.4-108.6-134.1 168.3 32.2 14.3 27.7 53 52 A E H > S+ 0 0 96 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.890 117.9 58.0 -64.4 -37.4 33.4 16.5 24.9 54 53 A A H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 106.8 47.3 -60.2 -42.2 36.5 17.4 26.9 55 54 A E H > S+ 0 0 84 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.889 111.7 50.9 -66.4 -37.7 37.4 13.7 27.1 56 55 A M H >< S+ 0 0 9 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.927 111.1 48.0 -64.7 -42.7 36.8 13.3 23.3 57 56 A K H 3< S+ 0 0 101 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.834 112.9 48.6 -66.7 -33.4 39.0 16.3 22.6 58 57 A A H 3< S+ 0 0 83 -4,-1.8 2,-0.7 -5,-0.2 -1,-0.2 0.555 85.4 107.9 -84.2 -9.4 41.8 15.0 24.8 59 58 A S S+ 0 0 93 -2,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.894 88.1 53.7 -68.6 -37.7 44.8 10.9 21.2 61 60 A D H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 108.6 48.8 -63.7 -41.6 43.4 7.7 19.8 62 61 A L H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.910 109.7 52.6 -66.5 -39.4 40.2 9.4 18.7 63 62 A K H X S+ 0 0 67 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.943 110.1 48.0 -59.3 -46.4 42.2 12.2 17.1 64 63 A K H X S+ 0 0 97 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.892 110.9 51.4 -62.0 -38.8 44.2 9.6 15.1 65 64 A Q H X S+ 0 0 37 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.925 106.9 53.4 -64.7 -41.6 41.0 7.8 14.1 66 65 A G H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.886 107.2 51.9 -60.3 -40.1 39.6 11.1 12.8 67 66 A V H X S+ 0 0 46 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.921 110.0 49.6 -63.1 -41.3 42.7 11.6 10.7 68 67 A R H X S+ 0 0 127 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.936 112.0 47.2 -62.6 -47.8 42.2 8.1 9.2 69 68 A V H X S+ 0 0 39 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.951 115.7 43.3 -59.1 -52.2 38.5 8.7 8.4 70 69 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.848 113.9 50.7 -68.8 -31.8 39.0 12.0 6.8 71 70 A T H X S+ 0 0 83 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.926 112.6 46.9 -71.5 -39.3 42.1 10.9 4.8 72 71 A A H X S+ 0 0 45 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.928 115.5 45.9 -65.4 -43.4 40.2 7.8 3.5 73 72 A L H X S+ 0 0 13 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.919 110.1 54.5 -66.6 -38.6 37.2 10.0 2.6 74 73 A G H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.899 106.9 50.7 -60.8 -39.7 39.5 12.6 1.0 75 74 A A H X S+ 0 0 47 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.906 111.3 48.8 -67.5 -37.6 41.1 9.9 -1.2 76 75 A I H ><>S+ 0 0 7 -4,-1.8 3,-1.2 2,-0.2 5,-0.6 0.964 111.4 49.1 -63.4 -47.7 37.6 8.8 -2.3 77 76 A L H ><5S+ 0 0 2 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.895 105.5 58.0 -60.8 -39.6 36.5 12.4 -3.0 78 77 A K H 3<5S+ 0 0 110 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.749 96.1 63.6 -67.6 -16.2 39.7 13.0 -5.1 79 78 A K T X<5S- 0 0 89 -3,-1.2 3,-1.9 -4,-0.9 -1,-0.3 0.575 98.7-141.7 -79.0 -10.4 38.7 10.1 -7.4 80 79 A K T < 5S- 0 0 71 -3,-1.9 -3,-0.1 -4,-0.4 -2,-0.1 0.855 74.0 -34.0 46.6 56.3 35.6 12.1 -8.4 81 80 A G T 3 + 0 0 4 -2,-1.3 4,-2.3 1,-0.2 5,-0.2 0.102 18.2 121.1-111.2 24.6 36.3 5.1 -6.2 84 83 A E H > S+ 0 0 120 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.892 79.6 47.2 -55.8 -45.3 35.5 1.4 -6.7 85 84 A A H 4 S+ 0 0 69 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.905 113.2 48.2 -65.1 -40.9 38.9 0.3 -5.5 86 85 A E H > S+ 0 0 50 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.847 109.1 53.2 -69.5 -33.4 38.8 2.5 -2.4 87 86 A L H X S+ 0 0 7 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.748 93.4 73.9 -76.0 -24.1 35.3 1.4 -1.4 88 87 A K H X S+ 0 0 125 -4,-1.2 4,-2.3 -3,-0.2 5,-0.2 0.964 103.5 33.7 -55.6 -59.1 36.0 -2.3 -1.4 89 88 A P H > S+ 0 0 81 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.880 120.3 51.6 -66.6 -36.5 38.1 -2.6 1.8 90 89 A L H X S+ 0 0 44 -4,-0.9 4,-2.6 2,-0.2 5,-0.3 0.940 111.0 46.5 -65.9 -47.4 36.0 0.1 3.5 91 90 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.4 0.916 113.0 50.7 -62.0 -43.1 32.7 -1.5 2.7 92 91 A Q H X>S+ 0 0 115 -4,-2.3 4,-2.3 -5,-0.3 5,-0.6 0.944 114.0 42.5 -64.0 -45.7 34.0 -4.9 3.8 93 92 A S H X>S+ 0 0 35 -4,-2.5 5,-2.7 3,-0.2 4,-1.5 0.928 117.8 45.8 -66.9 -41.7 35.3 -3.7 7.2 94 93 A H H <>S+ 0 0 50 -4,-2.6 6,-2.8 -5,-0.2 5,-0.6 0.868 120.3 38.8 -72.9 -30.0 32.3 -1.5 7.9 95 94 A A H <5S+ 0 0 2 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.936 128.6 26.9 -79.9 -51.2 29.7 -4.1 7.0 96 95 A T H <5S+ 0 0 86 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.789 133.4 23.3 -88.3 -30.2 31.3 -7.2 8.3 97 96 A K T <> - 0 0 15 0, 0.0 4,-1.5 0, 0.0 3,-1.0 -0.263 24.1-110.7 -65.0 159.5 24.4 0.7 9.1 102 101 A I H 3> S+ 0 0 29 52,-2.5 4,-2.0 1,-0.3 5,-0.2 0.877 117.7 62.5 -58.1 -37.3 23.7 3.2 6.3 103 102 A K H 3> S+ 0 0 106 51,-0.6 4,-2.2 1,-0.2 -1,-0.3 0.849 102.3 50.6 -58.3 -35.6 21.8 5.4 8.7 104 103 A Y H <> S+ 0 0 31 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.872 107.1 52.8 -74.5 -30.6 25.0 5.9 10.7 105 104 A L H X S+ 0 0 16 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.867 108.6 51.6 -68.1 -32.9 26.9 6.8 7.5 106 105 A E H X S+ 0 0 77 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.942 107.9 52.8 -66.5 -42.7 24.1 9.4 7.0 107 106 A F H X S+ 0 0 32 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.924 110.3 45.6 -61.0 -43.5 24.7 10.7 10.5 108 107 A I H X S+ 0 0 29 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.893 110.1 55.3 -71.6 -30.1 28.5 11.2 9.9 109 108 A S H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.920 108.0 49.2 -62.4 -44.0 27.7 12.8 6.6 110 109 A E H X S+ 0 0 97 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.907 110.1 50.9 -61.6 -40.6 25.5 15.3 8.4 111 110 A A H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.909 109.5 50.7 -65.2 -39.5 28.3 15.9 11.0 112 111 A I H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.951 112.3 46.2 -61.3 -49.2 30.8 16.6 8.2 113 112 A I H X S+ 0 0 22 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.912 111.8 52.2 -61.8 -41.0 28.4 19.1 6.5 114 113 A H H X S+ 0 0 79 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.927 112.2 44.6 -61.3 -47.1 27.7 20.8 9.9 115 114 A V H X S+ 0 0 8 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.916 114.1 48.6 -67.7 -40.4 31.4 21.2 10.7 116 115 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.903 110.1 52.9 -66.0 -38.5 32.3 22.5 7.2 117 116 A H H < S+ 0 0 108 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.914 115.2 41.5 -61.7 -39.6 29.4 24.9 7.3 118 117 A S H < S+ 0 0 83 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.906 123.6 34.3 -73.8 -45.8 30.6 26.3 10.6 119 118 A R H < S+ 0 0 92 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.791 123.0 39.2 -81.6 -31.9 34.3 26.4 9.9 120 119 A H >X + 0 0 31 -4,-2.5 3,-1.8 -5,-0.3 4,-0.8 -0.336 52.0 146.7-125.4 58.0 34.4 27.3 6.2 121 120 A P T 34 S+ 0 0 96 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.837 77.6 63.0 -61.4 -25.1 31.7 29.8 5.1 122 121 A G T 34 S+ 0 0 71 1,-0.2 3,-0.1 -3,-0.2 -2,-0.1 0.701 120.5 21.0 -69.8 -23.0 34.1 31.2 2.5 123 122 A N T <4 S+ 0 0 46 -3,-1.8 -1,-0.2 -7,-0.2 -109,-0.2 0.163 119.3 63.5-129.3 14.6 34.2 27.8 0.7 124 123 A F < + 0 0 4 -4,-0.8 -2,-0.1 -3,-0.4 -4,-0.1 -0.264 62.1 138.7-140.8 52.7 30.9 26.3 1.9 125 124 A G S > S- 0 0 42 -3,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.117 74.6 -72.8 -79.0-169.7 28.0 28.4 0.7 126 125 A A H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.889 132.8 46.2 -57.0 -49.1 24.8 26.9 -0.6 127 126 A D H > S+ 0 0 136 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 114.7 48.2 -63.3 -42.9 26.2 25.7 -4.0 128 127 A A H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 112.0 48.9 -63.8 -42.5 29.3 24.2 -2.3 129 128 A Q H X S+ 0 0 68 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.910 109.7 52.7 -64.8 -39.3 27.2 22.4 0.4 130 129 A G H X S+ 0 0 37 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.920 110.2 48.2 -59.6 -44.2 24.9 21.0 -2.3 131 130 A A H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.919 112.4 48.0 -63.9 -44.1 27.9 19.6 -4.2 132 131 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.923 110.8 51.3 -63.2 -43.4 29.3 18.1 -1.0 133 132 A N H X S+ 0 0 57 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.939 110.2 49.8 -58.6 -44.6 25.9 16.6 -0.1 134 133 A K H X S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.916 110.9 49.3 -60.5 -41.7 25.8 15.1 -3.7 135 134 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.914 113.7 45.1 -65.2 -42.2 29.3 13.6 -3.2 136 135 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.873 111.2 53.3 -70.3 -34.3 28.4 12.1 0.1 137 136 A E H X S+ 0 0 79 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.919 109.7 49.0 -65.0 -41.2 25.1 10.7 -1.2 138 137 A L H X S+ 0 0 17 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.934 110.8 50.3 -62.9 -45.8 27.1 9.1 -4.1 139 138 A F H X S+ 0 0 20 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.935 113.5 45.2 -55.8 -49.7 29.5 7.6 -1.6 140 139 A R H X S+ 0 0 34 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.889 111.7 52.2 -65.5 -38.8 26.6 6.2 0.6 141 140 A K H X S+ 0 0 119 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.932 113.8 43.3 -62.2 -45.9 24.8 4.9 -2.5 142 141 A D H X S+ 0 0 50 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.907 114.2 50.1 -70.3 -37.8 27.9 3.0 -3.7 143 142 A I H X S+ 0 0 3 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.919 109.5 52.2 -62.5 -43.9 28.7 1.8 -0.2 144 143 A A H X S+ 0 0 35 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.919 108.5 50.3 -61.2 -40.5 25.1 0.5 0.2 145 144 A A H X S+ 0 0 52 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.908 112.6 46.8 -62.9 -41.3 25.3 -1.4 -3.1 146 145 A K H X S+ 0 0 52 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.911 107.7 57.0 -69.1 -38.5 28.6 -3.0 -1.9 147 146 A Y H X>S+ 0 0 1 -4,-2.9 5,-2.7 2,-0.2 4,-0.6 0.939 106.9 49.0 -53.1 -50.0 27.0 -3.8 1.5 148 147 A K H ><5S+ 0 0 173 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.925 109.7 51.4 -59.7 -42.5 24.3 -5.7 -0.3 149 148 A E H 3<5S+ 0 0 141 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.850 109.7 51.2 -63.5 -32.9 26.9 -7.6 -2.3 150 149 A L H 3<5S- 0 0 66 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.483 124.4-101.1 -81.5 -8.0 28.7 -8.5 0.9 151 150 A G T <<5S+ 0 0 72 -3,-1.3 2,-0.5 -4,-0.6 -3,-0.2 0.534 81.4 125.5 99.6 12.0 25.6 -9.9 2.6 152 151 A Y < - 0 0 48 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.908 46.0-160.9-112.1 124.6 24.8 -6.9 4.8 153 152 A Q 0 0 202 -2,-0.5 -1,-0.1 -3,-0.1 -5,-0.1 0.886 360.0 360.0 -67.4 -40.8 21.4 -5.2 4.8 154 153 A G 0 0 32 -7,-0.1 -52,-2.5 -59,-0.1 -51,-0.6 0.627 360.0 360.0 78.0 360.0 22.7 -2.0 6.4