==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE 03-JAN-00 1DXD . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR M.BRUNORI,B.VALLONE,F.CUTRUZZOLA,C.TRAVAGLINI-ALLOCATELLI, . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 79.7 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 . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 1 A V 0 0 161 0, 0.0 2,-0.1 0, 0.0 133,-0.1 0.000 360.0 360.0 360.0 127.9 26.7 11.7 -11.2 2 2 A L - 0 0 14 131,-0.1 2,-0.1 1,-0.1 128,-0.0 -0.436 360.0-124.3 -82.5 146.6 28.5 14.9 -10.3 3 3 A S > - 0 0 58 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.464 28.1-109.4 -78.5 162.0 29.7 17.5 -12.8 4 4 A E H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.897 122.0 54.7 -55.0 -44.6 33.4 18.6 -12.8 5 5 A G H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.907 107.8 49.1 -57.3 -42.0 32.3 22.0 -11.4 6 6 A E H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.947 110.1 51.0 -64.0 -45.1 30.5 20.2 -8.5 7 7 A W H X S+ 0 0 15 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.882 107.4 54.0 -58.5 -44.0 33.7 18.1 -7.9 8 8 A Q H X S+ 0 0 66 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.911 106.4 51.3 -62.6 -34.3 35.8 21.4 -7.8 9 9 A L H X S+ 0 0 69 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.894 112.0 48.2 -66.1 -38.0 33.5 22.8 -5.2 10 10 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.946 114.6 44.7 -60.0 -50.5 34.0 19.6 -3.1 11 11 A L H X S+ 0 0 36 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.849 107.1 58.7 -71.4 -32.4 37.8 19.7 -3.6 12 12 A H H < S+ 0 0 102 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.867 110.6 41.3 -69.3 -30.2 38.1 23.4 -2.8 13 13 A V H >X S+ 0 0 1 -4,-1.4 4,-1.8 -3,-0.3 3,-1.2 0.882 111.6 57.1 -79.0 -33.6 36.6 23.0 0.6 14 14 A W H 3X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.3 -2,-0.2 0.869 97.0 63.1 -63.2 -33.7 38.6 19.8 1.2 15 15 A A H 3< S+ 0 0 49 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.848 104.1 48.2 -57.2 -30.8 41.8 21.8 0.5 16 16 A K H X4 S+ 0 0 97 -3,-1.2 3,-1.7 -4,-0.5 4,-0.5 0.887 106.2 55.1 -78.5 -39.1 40.9 23.8 3.7 17 17 A V H >< S+ 0 0 1 -4,-1.8 3,-2.0 1,-0.3 7,-0.3 0.915 102.1 61.5 -53.4 -44.3 40.2 20.7 5.8 18 18 A E T 3< S+ 0 0 97 -4,-2.3 3,-0.4 1,-0.3 -1,-0.3 0.600 82.8 75.6 -69.9 -6.7 43.7 19.6 4.8 19 19 A A T < S- 0 0 92 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.808 126.2 -0.9 -62.8 -30.0 45.3 22.6 6.4 20 20 A D S <> S+ 0 0 75 -3,-2.0 4,-1.9 -4,-0.5 -1,-0.2 -0.465 70.4 170.9-159.3 76.1 44.6 20.7 9.7 21 21 A V H > S+ 0 0 33 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.897 79.6 57.8 -64.3 -36.8 42.9 17.4 9.1 22 22 A A H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 106.9 46.3 -60.1 -44.6 43.3 16.3 12.8 23 23 A G H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 113.1 49.5 -65.9 -38.1 41.5 19.3 14.1 24 24 A H H X S+ 0 0 3 -4,-1.9 4,-2.5 -7,-0.3 -1,-0.2 0.909 108.7 53.5 -66.5 -38.4 38.6 18.9 11.6 25 25 A G H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.878 107.5 50.9 -60.6 -41.6 38.4 15.2 12.5 26 26 A Q H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.952 111.0 48.0 -61.0 -46.6 38.0 16.1 16.2 27 27 A D H X S+ 0 0 53 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.915 112.7 49.3 -63.1 -39.0 35.2 18.6 15.5 28 28 A I H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.937 112.3 46.4 -67.3 -45.3 33.4 16.0 13.3 29 29 A Y H X S+ 0 0 8 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.904 112.5 50.1 -60.5 -46.2 33.6 13.2 15.8 30 30 A I H X S+ 0 0 14 -4,-2.7 4,-2.2 -5,-0.2 5,-0.3 0.937 113.2 47.2 -59.2 -42.7 32.4 15.5 18.6 31 31 A R H X S+ 0 0 90 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.947 113.5 47.7 -61.1 -47.4 29.5 16.7 16.5 32 32 A L H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 7,-0.2 0.934 114.3 45.8 -59.1 -49.4 28.6 13.1 15.5 33 33 A F H < S+ 0 0 6 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.819 115.5 45.8 -68.9 -31.9 28.7 11.8 19.1 34 34 A K H < S+ 0 0 78 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.878 118.1 41.8 -75.0 -41.7 26.7 14.7 20.5 35 35 A S H < S+ 0 0 42 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.811 133.6 19.2 -74.2 -34.5 24.0 14.7 17.8 36 36 A H >< + 0 0 32 -4,-2.3 3,-2.2 -5,-0.3 4,-0.4 -0.630 68.1 179.2-139.5 76.7 23.7 10.9 17.7 37 37 A P G >> S+ 0 0 79 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.813 75.1 71.3 -54.2 -27.9 25.1 9.3 20.8 38 38 A E G >4 S+ 0 0 60 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.828 86.7 67.0 -61.0 -26.8 24.3 5.8 19.8 39 39 A T G X4 S+ 0 0 5 -3,-2.2 3,-1.3 -7,-0.2 -1,-0.3 0.850 90.3 62.8 -64.6 -30.8 27.1 6.0 17.2 40 40 A L G X4 S+ 0 0 21 -3,-1.4 3,-1.9 -4,-0.4 6,-0.2 0.861 90.2 68.6 -63.4 -26.5 29.7 6.2 19.9 41 41 A E G << S+ 0 0 135 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.724 88.2 64.8 -67.5 -17.2 28.7 2.7 21.0 42 42 A K G < S+ 0 0 77 -3,-1.3 2,-1.0 -4,-0.4 -1,-0.3 0.620 86.6 80.2 -78.5 -14.1 30.1 1.2 17.8 43 43 A F X> - 0 0 56 -3,-1.9 4,-2.3 -4,-0.2 3,-1.2 -0.767 58.9-172.7 -98.3 97.6 33.7 2.3 18.8 44 44 A D T 34 S+ 0 0 127 -2,-1.0 4,-0.2 1,-0.3 -1,-0.2 0.830 87.3 48.1 -57.3 -32.8 35.0 -0.3 21.3 45 45 A R T 34 S+ 0 0 131 1,-0.1 -1,-0.3 2,-0.1 16,-0.1 0.675 123.6 30.0 -82.0 -17.3 38.1 1.9 21.9 46 46 A F T X4 S+ 0 0 4 -3,-1.2 3,-2.3 -6,-0.2 -2,-0.2 0.514 84.9 98.6-122.0 -2.6 36.2 5.1 22.4 47 47 A K T 3< S+ 0 0 115 -4,-2.3 -3,-0.1 1,-0.3 -2,-0.1 0.606 78.0 64.4 -69.2 -13.5 32.8 4.2 23.9 48 48 A H T 3 S+ 0 0 120 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.541 72.5 112.6 -79.1 -14.3 33.9 5.0 27.4 49 49 A L < - 0 0 15 -3,-2.3 3,-0.1 1,-0.2 -3,-0.0 -0.487 44.2-176.7 -65.2 130.4 34.5 8.8 26.6 50 50 A K + 0 0 177 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.668 54.4 26.5-102.2 -25.2 31.9 10.6 28.6 51 51 A T S > S- 0 0 66 1,-0.1 4,-2.1 0, 0.0 5,-0.1 -0.907 77.2-107.0-137.2 164.6 32.3 14.3 27.6 52 52 A E H > S+ 0 0 110 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.864 119.4 58.9 -61.6 -37.0 33.5 16.6 24.8 53 53 A A H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 106.5 46.0 -58.2 -43.9 36.5 17.4 27.0 54 54 A E H > S+ 0 0 82 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.898 112.3 51.3 -65.9 -39.3 37.5 13.7 27.1 55 55 A M H >< S+ 0 0 9 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.933 111.0 47.8 -63.5 -42.3 36.9 13.4 23.3 56 56 A K H 3< S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 112.0 50.6 -66.3 -33.4 39.1 16.4 22.6 57 57 A A H 3< S+ 0 0 84 -4,-1.9 2,-0.8 -5,-0.2 -1,-0.2 0.550 84.0 106.6 -81.6 -10.5 41.8 15.1 24.9 58 58 A S S+ 0 0 95 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.901 88.6 52.7 -64.2 -39.4 45.1 11.3 21.2 60 60 A D H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 108.4 48.9 -66.0 -39.3 43.8 8.0 19.9 61 61 A L H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 110.0 53.1 -65.8 -41.1 40.5 9.5 18.8 62 62 A K H X S+ 0 0 67 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.942 109.9 47.3 -56.4 -48.8 42.4 12.3 17.1 63 63 A K H X S+ 0 0 123 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.891 110.2 53.6 -60.6 -42.7 44.5 9.8 15.2 64 64 A Q H X S+ 0 0 44 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.893 106.4 50.9 -59.1 -46.3 41.3 7.9 14.2 65 65 A G H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.895 107.8 53.5 -67.8 -28.6 39.7 11.0 12.8 66 66 A V H X S+ 0 0 46 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.924 111.1 46.6 -65.5 -43.5 42.9 11.7 10.7 67 67 A R H X S+ 0 0 186 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.919 115.1 46.7 -62.7 -48.0 42.6 8.1 9.3 68 68 A V H X S+ 0 0 47 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.962 115.7 42.6 -60.1 -51.7 38.9 8.5 8.6 69 69 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.831 112.9 53.3 -69.3 -34.7 39.0 11.9 6.9 70 70 A T H X S+ 0 0 79 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.900 109.7 48.8 -67.1 -41.5 42.1 11.0 4.9 71 71 A A H X S+ 0 0 43 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.916 113.2 47.2 -60.7 -42.2 40.3 7.9 3.5 72 72 A L H X S+ 0 0 17 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.932 109.8 53.6 -63.9 -44.9 37.3 10.0 2.7 73 73 A G H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.884 106.3 51.9 -57.7 -39.2 39.6 12.6 1.0 74 74 A A H X S+ 0 0 48 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.897 110.9 48.8 -64.5 -39.6 41.1 9.9 -1.2 75 75 A I H ><>S+ 0 0 7 -4,-1.8 3,-1.0 2,-0.2 5,-0.6 0.943 111.7 48.2 -60.9 -51.6 37.6 8.8 -2.2 76 76 A L H ><5S+ 0 0 2 -4,-2.9 3,-2.1 1,-0.3 -2,-0.2 0.902 104.8 59.3 -62.8 -35.7 36.6 12.4 -3.0 77 77 A K H 3<5S+ 0 0 111 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.738 96.2 64.1 -66.6 -19.1 39.8 13.0 -5.1 78 78 A K T X<5S- 0 0 83 -3,-1.0 3,-2.2 -4,-0.9 -1,-0.3 0.525 98.3-141.8 -75.7 -14.2 38.7 10.0 -7.3 79 79 A K T < 5S- 0 0 70 -3,-2.1 -3,-0.1 1,-0.3 -2,-0.1 0.863 74.4 -35.9 52.3 51.6 35.6 12.1 -8.4 80 80 A G T 3 + 0 0 6 -2,-1.4 4,-2.3 1,-0.2 5,-0.2 0.100 17.0 119.7-107.1 20.2 36.2 5.1 -6.3 83 83 A E H > S+ 0 0 88 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.913 79.2 48.3 -56.7 -47.4 35.5 1.4 -6.7 84 84 A A H 4 S+ 0 0 70 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.888 113.1 47.5 -62.8 -40.4 39.0 0.3 -5.5 85 85 A E H > S+ 0 0 54 1,-0.2 4,-1.0 -3,-0.2 -1,-0.2 0.850 109.3 54.1 -70.8 -33.6 38.8 2.5 -2.4 86 86 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.751 93.6 71.6 -73.3 -26.6 35.3 1.4 -1.5 87 87 A K H X S+ 0 0 118 -4,-1.3 4,-2.3 -5,-0.2 -1,-0.2 0.967 104.1 34.9 -59.1 -53.6 36.0 -2.3 -1.5 88 88 A P H > S+ 0 0 81 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.896 119.9 51.0 -69.3 -33.8 38.1 -2.6 1.7 89 89 A L H X S+ 0 0 41 -4,-1.0 4,-2.6 1,-0.2 5,-0.3 0.941 111.7 46.5 -68.5 -47.2 36.1 0.1 3.5 90 90 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.923 112.1 51.6 -57.3 -47.4 32.7 -1.6 2.7 91 91 A Q H X S+ 0 0 116 -4,-2.3 4,-2.4 -5,-0.3 5,-0.5 0.953 114.5 41.1 -59.9 -48.2 34.1 -4.9 3.8 92 92 A S H X>S+ 0 0 37 -4,-2.5 5,-2.8 1,-0.2 4,-1.7 0.913 117.9 47.0 -66.6 -41.1 35.3 -3.7 7.2 93 93 A H H <>S+ 0 0 48 -4,-2.6 6,-2.6 -5,-0.2 5,-0.5 0.850 117.9 41.4 -73.5 -31.8 32.3 -1.5 7.8 94 94 A A H <5S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.927 129.7 23.3 -75.3 -45.8 29.8 -4.2 6.9 95 95 A T H <5S+ 0 0 84 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.839 131.8 25.4 -99.6 -37.2 31.4 -7.2 8.5 96 96 A K T <5S+ 0 0 163 -4,-1.7 -3,-0.2 -5,-0.5 -4,-0.1 0.895 132.7 26.5 -94.6 -54.7 33.7 -6.1 11.3 97 97 A H T > - 0 0 28 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.287 22.5-113.8 -65.3 157.6 24.4 0.9 9.1 101 101 A I H 3> S+ 0 0 28 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.879 117.4 62.7 -55.6 -38.4 23.8 3.3 6.2 102 102 A K H 3> S+ 0 0 114 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.839 102.4 50.4 -60.1 -32.6 21.8 5.5 8.7 103 103 A Y H <> S+ 0 0 42 -3,-1.1 4,-2.3 2,-0.2 -1,-0.3 0.823 106.9 52.3 -74.8 -33.8 25.0 6.0 10.6 104 104 A L H X S+ 0 0 17 -4,-1.4 4,-1.9 -3,-0.3 -2,-0.2 0.859 108.4 53.2 -63.9 -33.8 26.9 7.0 7.5 105 105 A E H X S+ 0 0 89 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.940 107.5 51.1 -64.5 -43.6 24.1 9.5 6.9 106 106 A F H X S+ 0 0 25 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.919 110.6 46.8 -60.0 -44.0 24.8 10.8 10.5 107 107 A I H X S+ 0 0 33 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.891 109.9 54.7 -66.9 -33.9 28.5 11.2 9.9 108 108 A S H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.930 107.7 49.8 -60.6 -45.9 27.8 13.0 6.5 109 109 A E H X S+ 0 0 98 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.910 111.0 49.6 -59.7 -41.8 25.5 15.4 8.4 110 110 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.890 109.9 50.4 -65.6 -41.5 28.4 16.1 10.9 111 111 A I H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.950 112.8 47.0 -57.5 -51.0 30.9 16.7 8.1 112 112 A I H X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.907 111.7 51.1 -57.3 -46.4 28.5 19.1 6.5 113 113 A H H X S+ 0 0 69 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.931 112.0 45.7 -58.7 -44.8 27.8 20.9 9.8 114 114 A V H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.905 113.5 48.1 -67.4 -42.3 31.5 21.4 10.6 115 115 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.919 110.7 53.3 -64.7 -37.9 32.4 22.6 7.1 116 116 A H H < S+ 0 0 106 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.905 115.2 40.2 -60.9 -40.4 29.5 25.0 7.2 117 117 A S H < S+ 0 0 73 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.888 124.6 35.1 -75.9 -44.6 30.7 26.5 10.5 118 118 A R H < S+ 0 0 90 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.785 122.9 38.1 -76.6 -33.8 34.4 26.5 9.8 119 119 A H >X + 0 0 31 -4,-2.6 3,-2.2 -5,-0.3 4,-0.8 -0.317 52.2 146.0-125.3 56.2 34.5 27.4 6.1 120 120 A P T 34 S+ 0 0 96 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.830 77.9 63.9 -62.8 -21.6 31.8 29.9 5.0 121 121 A G T 34 S+ 0 0 69 1,-0.2 3,-0.1 -3,-0.2 -2,-0.1 0.679 120.7 20.0 -68.7 -27.1 34.3 31.2 2.4 122 122 A N T <4 S+ 0 0 59 -3,-2.2 -1,-0.2 -7,-0.2 -109,-0.1 0.113 119.9 64.0-127.7 14.3 34.3 27.8 0.6 123 123 A F < + 0 0 3 -4,-0.8 -2,-0.1 -3,-0.4 -4,-0.1 -0.209 61.5 140.4-142.9 47.3 31.0 26.3 1.8 124 124 A G S > S- 0 0 42 -3,-0.1 4,-2.8 -5,-0.0 5,-0.2 -0.038 74.0 -74.4 -69.6-174.7 28.2 28.6 0.6 125 125 A A H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 132.0 47.0 -57.7 -47.5 24.9 27.0 -0.7 126 126 A D H > S+ 0 0 135 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 113.8 48.5 -63.7 -44.1 26.3 25.7 -4.0 127 127 A A H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.906 111.2 49.8 -64.0 -39.4 29.3 24.2 -2.4 128 128 A Q H X S+ 0 0 67 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.895 109.4 52.4 -64.3 -41.8 27.3 22.5 0.3 129 129 A G H X S+ 0 0 37 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.901 109.7 49.0 -58.5 -43.2 25.0 21.1 -2.3 130 130 A A H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 111.8 48.4 -64.2 -46.6 28.0 19.7 -4.2 131 131 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.929 110.7 51.0 -59.3 -43.9 29.4 18.1 -1.0 132 132 A N H X S+ 0 0 54 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.927 109.4 51.1 -58.8 -44.1 26.0 16.6 -0.2 133 133 A K H X S+ 0 0 72 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.912 111.1 48.3 -57.3 -43.7 25.9 15.1 -3.7 134 134 A A H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.908 113.3 46.3 -65.2 -37.6 29.3 13.6 -3.3 135 135 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.872 110.6 53.1 -72.5 -35.1 28.4 12.1 0.1 136 136 A E H X S+ 0 0 96 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.910 109.6 49.5 -64.7 -39.4 25.1 10.8 -1.3 137 137 A L H X S+ 0 0 33 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.936 110.4 50.3 -62.7 -48.9 27.1 9.1 -4.1 138 138 A F H X S+ 0 0 20 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.934 113.1 45.3 -52.7 -49.6 29.5 7.6 -1.6 139 139 A R H X S+ 0 0 33 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.861 111.8 52.3 -68.5 -37.1 26.7 6.3 0.5 140 140 A K H X S+ 0 0 147 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.929 113.8 43.2 -58.8 -47.8 24.8 4.9 -2.5 141 141 A D H X S+ 0 0 50 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.892 113.8 50.2 -71.1 -37.8 27.9 3.0 -3.7 142 142 A I H X S+ 0 0 3 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.2 0.923 109.1 53.1 -61.8 -43.1 28.7 1.7 -0.2 143 143 A A H X S+ 0 0 29 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.909 107.9 50.3 -62.3 -34.7 25.2 0.5 0.2 144 144 A A H X S+ 0 0 51 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.896 112.6 47.2 -66.2 -41.1 25.4 -1.4 -3.1 145 145 A K H X S+ 0 0 27 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.918 107.3 56.7 -65.8 -42.3 28.7 -3.0 -1.9 146 146 A Y H X>S+ 0 0 1 -4,-3.0 5,-2.6 1,-0.2 4,-0.6 0.933 107.3 49.2 -50.8 -49.3 27.1 -3.8 1.5 147 147 A K H ><5S+ 0 0 146 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.940 109.4 50.6 -62.3 -39.5 24.4 -5.8 -0.3 148 148 A E H 3<5S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.869 110.6 51.7 -62.9 -34.4 27.0 -7.7 -2.4 149 149 A L H 3<5S- 0 0 71 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.496 123.0-104.3 -79.6 -10.9 28.8 -8.5 0.9 150 150 A G T <<5S+ 0 0 71 -3,-1.3 2,-0.5 -4,-0.6 -3,-0.2 0.528 78.0 127.7 101.4 4.2 25.7 -9.8 2.6 151 151 A Y < - 0 0 18 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.895 50.8-151.8-107.8 127.8 24.9 -6.9 4.9 152 152 A Q 0 0 162 -2,-0.5 -1,-0.1 1,-0.2 -5,-0.1 0.750 360.0 360.0 -58.2 -36.1 21.5 -5.2 5.1 153 153 A G 0 0 36 -7,-0.1 -1,-0.2 -59,-0.1 -10,-0.0 -0.281 360.0 360.0 77.5 360.0 23.0 -1.9 6.2