==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 11-DEC-99 1DWR . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR K.CHU,J.VOJTECHOVSKY,B.H.MCMAHON,R.M.SWEET,J.BERENDZEN, . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 82.9 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 64.5 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 1 1 0 0 0 0 0 0 0 1 0 1 1 0 2 0 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 G 0 0 87 0, 0.0 2,-0.4 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 100.2 -3.0 16.4 15.4 2 2 A L - 0 0 24 77,-0.1 128,-0.0 132,-0.0 2,-0.0 -0.915 360.0-118.5-115.0 146.9 -0.6 14.6 17.8 3 3 A S > - 0 0 58 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.238 30.8-108.1 -71.1 165.1 -1.3 12.8 21.1 4 4 A D H > S+ 0 0 136 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 123.4 51.6 -59.1 -44.9 0.3 14.0 24.4 5 5 A G H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.896 109.4 50.0 -60.5 -38.5 2.5 10.9 24.3 6 6 A E H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 108.5 51.2 -67.7 -39.5 3.6 11.7 20.7 7 7 A W H X S+ 0 0 17 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.912 107.8 54.1 -65.7 -36.9 4.5 15.3 21.6 8 8 A Q H X S+ 0 0 151 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.913 108.9 48.4 -64.0 -40.4 6.6 14.0 24.5 9 9 A Q H X S+ 0 0 48 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.947 110.5 51.2 -62.7 -47.0 8.5 11.7 22.0 10 10 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.905 112.6 44.8 -53.9 -50.4 9.0 14.7 19.6 11 11 A L H X S+ 0 0 59 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.765 110.7 55.2 -71.2 -19.9 10.5 16.9 22.3 12 12 A N H >X S+ 0 0 102 -4,-1.5 3,-0.8 -5,-0.2 4,-0.5 0.950 108.9 46.8 -73.3 -49.0 12.6 14.0 23.6 13 13 A V H >X S+ 0 0 4 -4,-2.6 3,-1.8 1,-0.2 4,-0.9 0.888 105.4 61.5 -54.0 -41.8 14.1 13.5 20.1 14 14 A W H 3X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.3 -1,-0.2 0.777 88.2 71.0 -64.5 -26.7 14.7 17.3 20.0 15 15 A G H < S+ 0 0 4 -4,-0.9 3,-1.3 1,-0.2 7,-0.3 0.915 108.2 57.6 -62.6 -40.9 19.3 18.3 18.2 18 18 A E H >< S+ 0 0 108 -4,-2.7 3,-0.5 1,-0.3 -1,-0.2 0.715 96.0 62.4 -66.9 -20.1 19.7 20.8 21.0 19 19 A A H << S+ 0 0 92 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.729 126.6 13.3 -74.6 -23.3 23.0 19.2 22.2 20 20 A D T S+ 0 0 46 -3,-0.5 4,-2.5 1,-0.2 5,-0.1 0.915 79.2 46.6 -60.9 -46.3 22.3 22.6 17.0 22 22 A A H > S+ 0 0 21 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.898 112.4 49.5 -64.0 -42.0 24.9 23.7 14.5 23 23 A G H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.944 115.0 43.1 -65.5 -48.7 26.1 20.1 13.6 24 24 A H H X S+ 0 0 5 -4,-2.4 4,-2.4 -7,-0.3 -1,-0.2 0.905 115.2 51.5 -59.8 -42.3 22.5 18.9 13.1 25 25 A G H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.915 110.2 47.6 -62.7 -45.6 21.7 22.1 11.1 26 26 A Q H X S+ 0 0 12 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.919 113.7 47.3 -62.6 -45.7 24.7 21.8 8.8 27 27 A E H X S+ 0 0 46 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.869 109.2 53.7 -67.9 -36.1 24.0 18.1 8.1 28 28 A V H X S+ 0 0 6 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.955 113.8 42.3 -63.0 -48.8 20.3 18.7 7.4 29 29 A L H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.915 113.4 51.6 -66.3 -40.4 21.2 21.4 4.8 30 30 A I H X S+ 0 0 10 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.917 110.4 49.4 -59.9 -42.6 24.1 19.4 3.3 31 31 A R H X S+ 0 0 114 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.895 112.5 49.3 -63.2 -40.1 21.7 16.4 2.9 32 32 A L H X S+ 0 0 10 -4,-2.0 4,-2.7 -5,-0.2 7,-0.2 0.967 115.4 41.4 -63.9 -51.5 19.2 18.7 1.2 33 33 A F H < S+ 0 0 3 -4,-2.9 7,-0.2 2,-0.2 -2,-0.2 0.901 117.8 45.9 -64.5 -42.9 21.6 20.3 -1.2 34 34 A T H < S+ 0 0 60 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.943 118.8 41.3 -70.6 -42.0 23.4 17.0 -2.1 35 35 A G H < S+ 0 0 43 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.857 130.0 26.4 -70.8 -35.6 20.2 15.0 -2.6 36 36 A H >X - 0 0 55 -4,-2.7 3,-2.3 -5,-0.3 4,-0.5 -0.693 67.6-177.0-132.6 79.6 18.3 17.8 -4.4 37 37 A P H >> S+ 0 0 82 0, 0.0 3,-0.8 0, 0.0 4,-0.7 0.727 78.8 67.2 -48.0 -32.8 20.8 20.2 -6.2 38 38 A E H >4 S+ 0 0 82 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.803 90.2 65.5 -59.6 -29.5 18.0 22.5 -7.4 39 39 A T H X4 S+ 0 0 3 -3,-2.3 3,-1.5 1,-0.3 4,-0.4 0.862 92.4 61.0 -63.6 -34.8 17.4 23.5 -3.8 40 40 A L H X< S+ 0 0 17 -3,-0.8 3,-1.8 -4,-0.5 6,-0.3 0.857 93.8 65.0 -58.2 -36.3 20.9 25.1 -3.6 41 41 A E T << S+ 0 0 103 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.703 89.9 65.3 -64.3 -16.4 19.8 27.5 -6.4 42 42 A K T < S+ 0 0 85 -3,-1.5 2,-0.8 -4,-0.4 -1,-0.3 0.712 92.7 71.3 -76.1 -15.4 17.2 29.0 -4.1 43 43 A F X> - 0 0 47 -3,-1.8 3,-1.6 -4,-0.4 4,-1.2 -0.837 59.0-173.7-108.6 98.8 20.1 30.3 -1.9 44 44 A D T 34 S+ 0 0 133 -2,-0.8 4,-0.2 1,-0.3 -1,-0.2 0.787 89.4 55.1 -58.3 -29.4 22.0 33.1 -3.6 45 45 A K T 34 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.1 15,-0.1 0.535 113.8 37.8 -85.1 -3.5 24.5 32.9 -0.7 46 46 A F T X4 S+ 0 0 1 -3,-1.6 3,-1.9 -6,-0.3 -2,-0.2 0.411 84.4 96.7-121.2 -0.4 25.2 29.2 -1.2 47 47 A K T 3< S+ 0 0 71 -4,-1.2 -3,-0.1 1,-0.3 -2,-0.1 0.782 77.1 65.4 -53.3 -31.2 25.3 28.8 -5.0 48 48 A H T 3 S+ 0 0 119 -4,-0.2 2,-1.3 1,-0.1 -1,-0.3 0.550 74.3 105.0 -70.0 -10.7 29.1 29.2 -5.0 49 49 A L < + 0 0 5 -3,-1.9 -1,-0.1 1,-0.2 -3,-0.1 -0.635 40.6 166.5 -78.2 97.2 29.3 25.9 -3.1 50 50 A K + 0 0 158 -2,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.671 59.2 33.8 -88.1 -15.0 30.4 23.6 -5.9 51 51 A T S > S- 0 0 64 -3,-0.1 4,-2.3 1,-0.1 -1,-0.1 -0.963 75.5-119.6-137.1 156.0 31.4 20.6 -3.7 52 52 A E H > S+ 0 0 116 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.753 117.1 58.3 -61.6 -25.9 30.3 18.9 -0.4 53 53 A A H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 106.6 46.3 -66.7 -48.2 33.8 19.7 0.9 54 54 A E H 4 S+ 0 0 87 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.926 113.6 51.7 -59.4 -37.6 33.1 23.3 0.3 55 55 A M H >< S+ 0 0 13 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.959 111.2 43.8 -62.0 -54.4 29.7 22.7 2.0 56 56 A K H 3< S+ 0 0 97 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.796 113.7 54.1 -60.2 -29.4 31.1 21.1 5.1 57 57 A A T 3< S+ 0 0 75 -4,-2.1 2,-0.7 -5,-0.2 -1,-0.3 0.446 83.8 107.7 -86.9 -3.2 33.8 23.8 5.2 58 58 A S <> - 0 0 16 -3,-1.7 4,-1.9 -4,-0.4 3,-0.1 -0.699 46.3-172.0 -87.2 110.5 31.3 26.7 5.1 59 59 A E H > S+ 0 0 139 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.857 90.8 53.9 -63.9 -37.0 30.9 28.6 8.4 60 60 A D H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.818 104.6 54.1 -69.3 -29.3 28.0 30.5 7.0 61 61 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.929 109.5 48.5 -69.5 -41.5 26.2 27.2 6.1 62 62 A K H X S+ 0 0 80 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.903 110.2 52.8 -59.7 -42.1 26.6 26.1 9.7 63 63 A K H X S+ 0 0 129 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.915 110.0 46.1 -61.1 -46.5 25.3 29.5 10.8 64 64 A H H X S+ 0 0 46 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.853 106.6 59.9 -70.1 -29.0 22.2 29.2 8.6 65 65 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.902 106.5 47.7 -61.1 -39.9 21.7 25.6 9.9 66 66 A T H X S+ 0 0 41 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.894 110.1 51.6 -67.3 -39.6 21.4 27.0 13.4 67 67 A V H X S+ 0 0 85 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.956 112.9 46.4 -62.6 -45.4 18.9 29.7 12.2 68 68 A V H X S+ 0 0 40 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.939 115.7 41.7 -63.7 -50.2 16.7 27.0 10.6 69 69 A L H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.832 111.6 55.6 -72.8 -30.2 16.7 24.5 13.4 70 70 A T H X S+ 0 0 83 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.935 110.6 46.3 -64.0 -45.9 16.2 27.1 16.1 71 71 A A H X S+ 0 0 39 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.958 114.2 47.5 -61.2 -48.2 13.1 28.4 14.2 72 72 A L H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.896 110.6 52.2 -59.8 -41.9 11.8 24.8 13.8 73 73 A G H X S+ 0 0 2 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.877 105.6 54.1 -61.7 -39.6 12.4 24.0 17.5 74 74 A G H < S+ 0 0 34 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.942 111.3 46.4 -58.4 -46.4 10.5 27.0 18.6 75 75 A I H ><>S+ 0 0 3 -4,-1.9 3,-1.7 1,-0.2 5,-0.5 0.926 110.2 52.0 -62.6 -47.3 7.6 25.8 16.5 76 76 A L H ><5S+ 0 0 4 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.838 101.5 61.4 -61.2 -34.6 7.8 22.2 17.8 77 77 A K T 3<5S+ 0 0 97 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.651 93.7 64.9 -68.1 -12.3 7.7 23.4 21.4 78 78 A K T X 5S- 0 0 83 -3,-1.7 3,-1.7 -4,-0.5 -1,-0.3 0.606 98.3-140.8 -84.3 -9.8 4.3 24.9 20.8 79 79 A K T < 5S- 0 0 97 -3,-1.6 -77,-0.1 -4,-0.3 -3,-0.1 0.890 73.9 -36.2 52.0 46.7 2.9 21.4 20.2 80 80 A G T 3 + 0 0 8 -2,-1.7 4,-3.1 1,-0.1 5,-0.3 0.063 16.7 121.8-119.6 21.5 2.1 27.6 16.3 83 83 A E H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.916 79.9 46.9 -52.3 -50.4 0.0 30.1 14.2 84 84 A A H 4 S+ 0 0 80 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.825 118.9 41.6 -63.6 -33.5 2.0 33.2 15.2 85 85 A E H > S+ 0 0 66 -3,-0.2 4,-0.8 2,-0.1 -1,-0.2 0.868 119.3 42.6 -80.0 -40.4 5.3 31.5 14.6 86 86 A L H X S+ 0 0 2 -4,-3.1 4,-2.7 2,-0.2 3,-0.3 0.911 100.6 65.6 -80.4 -41.5 4.4 29.6 11.4 87 87 A K H X S+ 0 0 85 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.902 103.3 46.4 -50.6 -51.5 2.5 32.3 9.4 88 88 A P H > S+ 0 0 73 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.870 113.3 49.8 -62.4 -34.4 5.5 34.7 8.9 89 89 A L H X S+ 0 0 57 -4,-0.8 4,-2.8 -3,-0.3 5,-0.2 0.928 111.5 49.2 -66.9 -43.9 7.8 31.7 7.9 90 90 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.3 0.954 113.5 46.3 -56.6 -49.6 5.1 30.6 5.4 91 91 A Q H X>S+ 0 0 66 -4,-2.7 4,-2.6 -5,-0.2 5,-0.5 0.895 113.6 48.2 -66.7 -41.8 4.8 34.0 4.0 92 92 A S H X>S+ 0 0 41 -4,-2.7 5,-2.3 1,-0.2 4,-1.3 0.913 113.0 47.4 -60.7 -42.9 8.6 34.6 3.8 93 93 A H H <5S+ 0 0 62 -4,-2.8 6,-3.2 3,-0.2 -2,-0.2 0.784 119.6 38.3 -76.8 -24.6 9.2 31.3 2.1 94 94 A A H <5S+ 0 0 1 -4,-2.1 4,-0.3 4,-0.2 -2,-0.2 0.928 126.9 30.1 -84.9 -49.3 6.4 31.7 -0.5 95 95 A T H <5S+ 0 0 89 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.907 133.5 22.7 -82.3 -43.2 6.7 35.4 -1.3 96 96 A K T <> - 0 0 35 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.273 24.2-115.4 -58.3 150.3 7.8 25.1 -3.5 101 101 A I H 3> S+ 0 0 57 1,-0.3 4,-1.3 2,-0.2 3,-0.4 0.753 113.7 71.1 -61.2 -23.4 6.1 22.9 -0.8 102 102 A K H 3> S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.823 92.4 55.0 -57.6 -36.6 8.0 20.0 -2.4 103 103 A Y H <> S+ 0 0 43 -3,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.812 103.5 54.8 -73.5 -26.1 11.3 21.4 -1.0 104 104 A L H X S+ 0 0 18 -4,-0.7 4,-1.7 -3,-0.4 -1,-0.2 0.807 106.7 51.7 -73.9 -29.6 9.7 21.4 2.5 105 105 A E H X S+ 0 0 62 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.936 108.9 51.2 -66.2 -46.4 9.0 17.7 2.0 106 106 A F H X S+ 0 0 27 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.930 111.6 45.5 -54.6 -48.7 12.7 17.2 1.0 107 107 A I H X S+ 0 0 27 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.833 110.3 55.4 -70.5 -31.3 14.0 18.9 4.2 108 108 A S H X S+ 0 0 3 -4,-1.7 4,-1.7 2,-0.2 3,-0.3 0.964 111.1 42.9 -60.4 -53.6 11.5 17.0 6.3 109 109 A D H X S+ 0 0 94 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.853 110.9 57.9 -60.0 -35.3 12.8 13.7 5.0 110 110 A A H X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.858 102.7 53.0 -65.3 -35.6 16.3 15.1 5.4 111 111 A I H X S+ 0 0 13 -4,-1.8 4,-2.3 -3,-0.3 -1,-0.2 0.929 109.4 49.2 -64.3 -42.8 15.8 15.7 9.1 112 112 A I H X S+ 0 0 21 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.925 111.8 49.3 -62.3 -42.2 14.7 12.0 9.5 113 113 A H H X S+ 0 0 72 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.927 110.4 49.2 -62.7 -49.9 17.8 10.9 7.6 114 114 A V H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.882 107.7 54.8 -59.2 -39.5 20.2 13.0 9.7 115 115 A L H X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.930 111.9 43.6 -61.9 -44.0 18.7 11.7 13.0 116 116 A H H < S+ 0 0 68 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.883 114.8 51.5 -66.8 -35.4 19.2 8.1 12.0 117 117 A S H < S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.896 118.4 34.1 -70.9 -40.0 22.7 8.9 10.7 118 118 A K H < S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.683 130.8 34.2 -86.9 -20.8 23.9 10.7 13.9 119 119 A H S >< S- 0 0 39 -4,-1.8 3,-2.5 -5,-0.3 -1,-0.2 -0.292 78.8-176.6-130.5 53.2 22.0 8.5 16.3 120 120 A P T 3 S+ 0 0 102 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.231 77.0 4.0 -59.0 124.5 22.0 5.0 14.7 121 121 A G T 3 S+ 0 0 87 2,-0.2 3,-0.1 1,-0.0 -5,-0.1 0.495 117.8 82.7 80.6 2.6 19.9 2.6 16.8 122 122 A D S < S+ 0 0 99 -3,-2.5 2,-0.4 -7,-0.2 -1,-0.0 0.056 71.9 74.6-122.3 21.4 18.9 5.4 19.2 123 123 A F S S- 0 0 9 -4,-0.1 -2,-0.2 -7,-0.1 -1,-0.1 -0.770 79.5-156.5-136.0 83.4 16.0 6.8 17.1 124 124 A G > - 0 0 36 -2,-0.4 4,-3.0 -3,-0.1 5,-0.2 0.038 28.4-102.0 -68.6 167.4 13.3 4.2 17.6 125 125 A A H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.908 124.0 46.6 -55.1 -46.6 10.2 3.3 15.6 126 126 A D H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 113.4 50.6 -63.4 -39.6 7.9 5.2 18.0 127 127 A A H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.893 110.0 47.8 -62.8 -47.0 10.2 8.2 17.9 128 128 A Q H X S+ 0 0 75 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.914 112.0 52.3 -61.1 -44.1 10.4 8.3 14.0 129 129 A G H X S+ 0 0 36 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.918 112.0 44.5 -57.8 -46.5 6.6 8.0 13.9 130 130 A A H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.939 114.3 47.8 -67.4 -42.6 6.1 10.9 16.3 131 131 A M H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.896 111.0 52.1 -64.8 -40.4 8.7 13.2 14.6 132 132 A T H X S+ 0 0 42 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.952 108.3 51.1 -60.6 -48.4 7.2 12.4 11.1 133 133 A K H X S+ 0 0 73 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.899 111.1 48.6 -54.3 -45.7 3.8 13.4 12.4 134 134 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.889 111.5 48.5 -63.8 -42.2 5.2 16.7 13.7 135 135 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.850 111.3 50.6 -68.7 -33.7 7.0 17.4 10.5 136 136 A E H X S+ 0 0 94 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.889 109.4 50.8 -67.3 -43.5 3.8 16.7 8.4 137 137 A L H X S+ 0 0 33 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.918 113.0 46.5 -55.8 -46.8 1.7 19.0 10.7 138 138 A F H X S+ 0 0 26 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.935 115.3 45.7 -60.3 -49.6 4.3 21.7 10.1 139 139 A R H X S+ 0 0 48 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.898 112.8 50.5 -63.0 -43.7 4.4 21.1 6.4 140 140 A N H X S+ 0 0 110 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.838 109.0 49.8 -69.4 -33.2 0.6 20.9 6.1 141 141 A D H X S+ 0 0 50 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.852 111.6 49.4 -73.6 -32.7 0.0 24.2 8.0 142 142 A I H X S+ 0 0 6 -4,-1.7 4,-2.2 2,-0.2 3,-0.2 0.930 107.7 55.1 -67.9 -42.9 2.6 25.9 5.7 143 143 A A H X S+ 0 0 32 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.866 103.4 56.1 -58.1 -36.9 0.7 24.4 2.7 144 144 A A H X S+ 0 0 55 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.925 108.0 46.5 -61.2 -43.2 -2.5 26.0 3.9 145 145 A K H X S+ 0 0 25 -4,-1.4 4,-1.7 -3,-0.2 -2,-0.2 0.847 110.6 55.1 -69.5 -29.4 -0.8 29.5 3.9 146 146 A Y H X>S+ 0 0 9 -4,-2.2 5,-2.5 2,-0.2 4,-0.5 0.893 107.1 48.2 -67.4 -41.5 0.6 28.7 0.4 147 147 A K H ><5S+ 0 0 179 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.918 107.6 56.6 -66.0 -41.6 -2.9 27.9 -0.9 148 148 A E H 3<5S+ 0 0 127 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.912 113.2 40.2 -49.4 -47.9 -4.2 31.2 0.6 149 149 A L H 3<5S- 0 0 72 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.465 108.9-124.6 -80.6 -6.5 -1.5 33.1 -1.4 150 150 A G T <<5 + 0 0 60 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.819 53.7 163.7 63.4 28.8 -2.0 30.9 -4.5 151 151 A F < 0 0 41 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.713 360.0 360.0 -87.8 131.2 1.7 30.1 -4.4 152 152 A Q 0 0 196 -2,-0.4 -5,-0.0 -3,-0.1 -1,-0.0 -0.960 360.0 360.0-119.0 360.0 3.0 27.2 -6.4