==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE 27-NOV-89 1PMB . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.J.SMERDON,T.J.OLDFIELD,E.J.DODSON,G.G.DODSON,R.E.HUBBARD, . 306 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 81.0 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 . 44 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 2 0 2 0 0 0 0 0 1 2 1 2 0 1 3 0 0 0 0 0 0 2 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 0 107 0, 0.0 2,-0.4 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0-132.4 49.9 -11.1 27.8 2 2 A L - 0 0 18 77,-0.1 2,-0.1 131,-0.0 128,-0.0 -0.927 360.0-123.1-109.8 140.0 53.4 -12.1 28.8 3 3 A S >> - 0 0 65 -2,-0.4 4,-2.7 1,-0.1 3,-0.6 -0.248 32.3-101.8 -71.6 171.7 55.8 -13.1 26.0 4 4 A D H 3> S+ 0 0 142 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.626 125.9 54.4 -65.1 -19.5 57.3 -16.5 26.2 5 5 A G H 3> S+ 0 0 44 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.835 105.9 49.6 -83.7 -35.0 60.4 -14.9 27.4 6 6 A E H <> S+ 0 0 53 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.827 108.7 53.9 -69.1 -49.1 58.6 -13.1 30.2 7 7 A W H X S+ 0 0 17 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.735 107.7 50.5 -62.5 -24.6 57.1 -16.4 31.2 8 8 A Q H X S+ 0 0 95 -4,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.901 107.1 52.4 -78.8 -45.1 60.6 -17.9 31.4 9 9 A L H X S+ 0 0 55 -4,-1.4 4,-1.4 1,-0.2 5,-0.3 0.933 115.2 45.1 -51.3 -54.1 61.9 -15.0 33.6 10 10 A V H >X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 3,-0.5 0.931 111.1 49.3 -52.1 -62.4 58.9 -15.8 35.9 11 11 A L H 3X S+ 0 0 35 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.827 114.6 50.5 -56.7 -27.0 59.2 -19.7 35.9 12 12 A N H 3< S+ 0 0 96 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.834 108.5 44.6 -71.6 -51.1 62.8 -19.1 36.8 13 13 A V H XX S+ 0 0 2 -4,-1.4 4,-1.3 -3,-0.5 3,-1.0 0.767 112.8 59.8 -71.1 -33.2 62.6 -16.7 39.7 14 14 A W H 3X S+ 0 0 5 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.822 91.9 61.5 -71.5 -30.4 59.8 -19.1 40.8 15 15 A G H 3< S+ 0 0 34 -4,-0.8 -1,-0.2 2,-0.2 4,-0.2 0.622 101.8 56.1 -68.8 -16.0 62.1 -22.2 41.0 16 16 A K H X4 S+ 0 0 89 -3,-1.0 3,-1.3 -4,-0.2 4,-0.4 0.859 106.5 49.4 -73.1 -51.5 64.0 -20.2 43.7 17 17 A V H >< S+ 0 0 2 -4,-1.3 3,-1.4 1,-0.3 -2,-0.2 0.913 106.0 58.2 -60.0 -42.1 60.8 -19.9 45.6 18 18 A E T 3< S+ 0 0 91 -4,-2.0 3,-0.4 1,-0.2 -1,-0.3 0.576 91.7 64.6 -72.5 -6.6 60.3 -23.6 45.2 19 19 A A T < S+ 0 0 93 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.487 125.2 17.0 -80.7 -11.7 63.5 -24.6 47.0 20 20 A D S <> S+ 0 0 72 -3,-1.4 4,-1.8 -4,-0.4 -1,-0.2 -0.470 70.3 158.3-158.2 71.2 61.8 -23.0 50.1 21 21 A V H > S+ 0 0 29 -3,-0.4 4,-3.7 1,-0.2 5,-0.2 0.960 76.5 51.0 -69.6 -49.6 58.0 -22.5 49.8 22 22 A A H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.836 114.1 44.3 -58.9 -43.3 57.2 -22.3 53.6 23 23 A G H > S+ 0 0 13 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.790 115.5 45.4 -72.7 -35.5 59.8 -19.6 54.3 24 24 A H H X S+ 0 0 5 -4,-1.8 4,-1.6 -7,-0.2 -2,-0.2 0.946 115.4 50.5 -69.9 -47.1 59.0 -17.5 51.3 25 25 A G H X S+ 0 0 1 -4,-3.7 4,-2.4 2,-0.2 -2,-0.2 0.828 109.7 49.2 -47.2 -51.9 55.3 -17.9 52.2 26 26 A Q H X S+ 0 0 31 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.923 111.6 48.1 -53.1 -55.9 55.8 -16.9 55.8 27 27 A E H X S+ 0 0 70 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.860 109.2 53.0 -66.7 -30.6 57.8 -13.7 54.9 28 28 A V H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.921 112.3 46.7 -71.1 -39.6 55.2 -12.7 52.3 29 29 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.896 109.7 52.4 -63.9 -44.5 52.5 -13.0 55.0 30 30 A I H X S+ 0 0 8 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.938 114.0 44.3 -53.6 -55.8 54.6 -11.1 57.6 31 31 A R H X S+ 0 0 91 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.774 109.7 52.8 -57.8 -41.6 55.0 -8.2 55.1 32 32 A L H X S+ 0 0 10 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.972 117.4 40.3 -61.1 -47.7 51.5 -8.1 54.0 33 33 A F H < S+ 0 0 4 -4,-2.3 -2,-0.2 2,-0.3 7,-0.2 0.870 117.3 45.3 -65.4 -49.5 50.4 -7.8 57.7 34 34 A K H < S+ 0 0 103 -4,-3.2 -1,-0.2 1,-0.2 -3,-0.2 0.733 122.3 43.1 -64.3 -30.0 53.1 -5.5 58.8 35 35 A G H < S+ 0 0 39 -4,-1.3 -2,-0.3 -5,-0.3 -1,-0.2 0.791 129.6 18.9 -89.0 -35.3 52.2 -3.6 55.7 36 36 A H >X - 0 0 33 -4,-2.9 3,-2.9 1,-0.1 4,-0.6 -0.716 66.3-177.2-141.5 80.6 48.4 -3.7 55.6 37 37 A P H >> S+ 0 0 74 0, 0.0 3,-0.9 0, 0.0 4,-0.8 0.727 81.4 64.7 -46.4 -39.3 47.2 -4.5 59.2 38 38 A E H 34 S+ 0 0 88 1,-0.3 4,-0.2 2,-0.2 -5,-0.1 0.603 92.2 59.3 -59.4 -28.7 43.7 -4.4 58.0 39 39 A T H X4 S+ 0 0 4 -3,-2.9 3,-1.1 -7,-0.2 -1,-0.3 0.681 97.6 64.4 -72.0 -24.5 44.4 -7.4 55.8 40 40 A L H X< S+ 0 0 15 -3,-0.9 3,-2.1 -4,-0.6 6,-0.3 0.892 88.8 66.6 -64.7 -34.3 45.3 -9.1 59.1 41 41 A E T 3< S+ 0 0 109 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.771 85.3 71.6 -55.6 -29.5 41.8 -8.7 60.2 42 42 A K T < S+ 0 0 85 -3,-1.1 2,-0.7 -4,-0.2 -1,-0.3 0.570 87.2 73.8 -68.5 -15.7 40.6 -11.2 57.6 43 43 A F X> + 0 0 44 -3,-2.1 3,-2.9 -4,-0.2 4,-1.0 -0.830 52.5 179.8-110.1 100.8 42.2 -14.0 59.5 44 44 A D H >> S+ 0 0 121 -2,-0.7 3,-1.9 1,-0.3 4,-0.6 0.989 89.8 62.7 -42.6 -59.0 40.3 -15.0 62.6 45 45 A K H 34 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.2 15,-0.1 0.591 116.7 23.9 -38.1 -24.8 43.1 -17.5 62.8 46 46 A F H X4 S+ 0 0 1 -3,-2.9 3,-1.8 -6,-0.3 -1,-0.3 0.282 83.9 105.0-136.8 8.3 45.7 -14.7 63.2 47 47 A K H << S+ 0 0 83 -3,-1.9 -2,-0.1 -4,-1.0 -3,-0.1 0.873 79.2 63.7 -58.8 -33.8 44.0 -11.6 64.6 48 48 A H T 3< S+ 0 0 105 -4,-0.6 2,-0.5 2,-0.0 -1,-0.3 0.372 74.2 104.9 -66.1 -3.9 45.7 -12.4 67.9 49 49 A L < + 0 0 16 -3,-1.8 3,-0.1 1,-0.1 -3,-0.0 -0.799 43.6 177.7 -88.2 125.1 49.3 -12.0 66.6 50 50 A K + 0 0 157 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.464 54.9 27.4-110.1 -1.5 50.6 -8.7 68.0 51 51 A S S > S- 0 0 41 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.970 77.3-107.7-152.1 164.0 54.1 -8.4 66.8 52 52 A E H > S+ 0 0 82 -2,-0.3 4,-4.0 1,-0.3 5,-0.3 0.898 121.6 56.2 -54.5 -43.7 56.5 -9.6 64.1 53 53 A D H > S+ 0 0 120 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.933 106.0 49.6 -52.2 -46.9 58.0 -11.8 66.6 54 54 A E H >> S+ 0 0 77 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.921 111.5 48.5 -61.0 -44.8 54.6 -13.3 67.2 55 55 A M H 3< S+ 0 0 8 -4,-2.1 6,-0.2 1,-0.3 -2,-0.2 0.881 110.5 52.8 -62.1 -43.1 54.1 -13.9 63.4 56 56 A K H 3< S+ 0 0 106 -4,-4.0 -1,-0.3 1,-0.2 -2,-0.2 0.674 107.5 50.6 -65.3 -23.8 57.5 -15.4 63.1 57 57 A A H << S+ 0 0 85 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.881 85.1 106.5 -81.1 -41.6 56.7 -17.9 65.9 58 58 A S X - 0 0 22 -4,-1.5 4,-1.4 1,-0.2 3,-0.1 -0.211 47.5-170.2 -49.4 108.3 53.4 -19.1 64.4 59 59 A E H > S+ 0 0 142 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.846 91.6 52.8 -61.8 -48.5 53.6 -22.6 62.9 60 60 A D H > S+ 0 0 70 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.705 103.8 52.7 -72.3 -22.8 50.2 -22.0 61.4 61 61 A L H > S+ 0 0 0 -6,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.850 110.3 51.2 -73.5 -51.2 51.1 -18.7 59.7 62 62 A K H X S+ 0 0 98 -4,-1.4 4,-0.8 1,-0.2 -2,-0.2 0.766 112.4 46.6 -57.1 -31.0 54.1 -20.5 58.1 63 63 A K H X S+ 0 0 113 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.846 109.5 51.1 -87.0 -37.1 51.7 -23.2 57.0 64 64 A H H X S+ 0 0 56 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.860 110.2 52.6 -66.5 -39.5 49.1 -20.8 55.6 65 65 A G H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.843 106.3 51.9 -66.2 -33.8 51.9 -19.1 53.7 66 66 A N H X S+ 0 0 62 -4,-0.8 4,-2.3 2,-0.2 5,-0.2 0.891 111.3 48.6 -64.6 -46.6 53.0 -22.5 52.1 67 67 A T H X S+ 0 0 83 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.886 110.2 50.2 -60.4 -52.3 49.5 -23.0 51.0 68 68 A V H X S+ 0 0 38 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.910 117.4 39.9 -61.7 -43.2 49.2 -19.5 49.5 69 69 A L H X S+ 0 0 3 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.663 111.4 55.1 -82.4 -23.1 52.4 -19.9 47.6 70 70 A T H X S+ 0 0 80 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.849 111.0 47.7 -69.7 -47.8 51.9 -23.5 46.6 71 71 A A H X S+ 0 0 43 -4,-1.9 4,-0.6 -5,-0.2 -2,-0.2 0.869 113.4 45.4 -61.1 -46.2 48.5 -22.3 45.1 72 72 A L H >X S+ 0 0 14 -4,-1.5 4,-2.5 2,-0.2 3,-0.9 0.907 110.1 57.0 -62.3 -48.7 50.0 -19.2 43.1 73 73 A G H 3X S+ 0 0 4 -4,-1.5 4,-1.6 1,-0.3 -2,-0.2 0.853 105.0 50.9 -43.7 -53.0 52.9 -21.5 41.9 74 74 A G H 3< S+ 0 0 37 -4,-1.8 -1,-0.3 2,-0.2 4,-0.2 0.719 112.8 46.7 -63.5 -31.2 50.3 -23.9 40.3 75 75 A I H X<>S+ 0 0 4 -3,-0.9 3,-1.2 -4,-0.6 5,-0.7 0.904 108.5 53.7 -80.3 -43.4 48.7 -20.8 38.6 76 76 A L H ><5S+ 0 0 3 -4,-2.5 3,-1.0 1,-0.3 -2,-0.2 0.867 103.2 57.3 -56.6 -45.3 52.0 -19.4 37.3 77 77 A K T 3<5S+ 0 0 109 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.557 94.9 63.0 -71.2 -13.9 53.0 -22.6 35.6 78 78 A K T X 5S- 0 0 81 -3,-1.2 3,-3.4 -4,-0.2 -1,-0.3 0.164 97.5-150.8 -87.3 -3.1 49.7 -22.7 33.5 79 79 A K T < 5S- 0 0 90 -3,-1.0 -3,-0.2 1,-0.3 -77,-0.1 0.692 71.1 -24.3 30.4 45.8 51.4 -19.6 32.3 80 80 A G T 3 + 0 0 5 -2,-1.0 4,-2.0 1,-0.1 -1,-0.1 -0.164 20.6 118.3-123.5 39.3 44.8 -20.9 34.6 83 83 A E H > S+ 0 0 121 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.927 78.4 47.0 -65.6 -56.2 41.0 -20.7 34.4 84 84 A A H 4 S+ 0 0 79 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.656 118.5 44.3 -61.6 -27.9 40.3 -24.1 36.2 85 85 A E H > S+ 0 0 68 2,-0.1 4,-0.7 1,-0.1 -1,-0.2 0.810 111.8 49.5 -86.7 -43.6 42.8 -23.1 38.8 86 86 A L H X S+ 0 0 8 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.560 99.7 71.1 -72.6 -19.9 41.7 -19.5 39.3 87 87 A T H X S+ 0 0 39 -4,-1.4 4,-2.1 2,-0.2 3,-0.2 0.974 96.6 42.2 -66.0 -57.2 38.1 -20.5 39.7 88 88 A P H > S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.864 116.9 53.2 -53.4 -39.5 37.9 -22.3 43.1 89 89 A L H X S+ 0 0 44 -4,-0.7 4,-2.0 1,-0.2 -2,-0.2 0.865 109.8 44.2 -66.7 -41.3 40.1 -19.6 44.3 90 90 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 -3,-0.2 -1,-0.2 0.740 113.7 52.7 -77.4 -24.6 37.9 -16.7 43.1 91 91 A Q H >X>S+ 0 0 93 -4,-2.1 4,-2.3 -5,-0.2 3,-1.6 0.963 113.4 41.5 -66.1 -73.5 34.8 -18.5 44.4 92 92 A S H 3X>S+ 0 0 32 -4,-2.4 5,-2.7 1,-0.3 4,-2.4 0.908 119.7 43.8 -42.0 -52.4 36.2 -19.0 48.0 93 93 A H H 3<5S+ 0 0 45 -4,-2.0 6,-2.7 -5,-0.3 -1,-0.3 0.734 116.2 46.3 -73.3 -19.0 37.8 -15.5 48.2 94 94 A A H <<5S+ 0 0 9 -3,-1.6 -2,-0.2 -4,-0.8 -1,-0.2 0.869 129.7 19.8 -85.1 -43.0 34.8 -13.7 46.7 95 95 A T H <5S+ 0 0 66 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.477 134.1 25.7-104.7 -20.8 32.1 -15.4 48.7 96 96 A K T < - 0 0 35 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.423 23.3-115.0 -62.2 155.1 38.6 -7.3 48.1 101 101 A V T >> S+ 0 0 27 1,-0.3 3,-2.4 2,-0.2 4,-2.0 0.899 114.0 68.9 -66.7 -35.9 40.8 -7.1 44.9 102 102 A K H 3> S+ 0 0 104 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.761 96.4 54.9 -40.6 -37.0 42.8 -4.3 46.5 103 103 A Y H <> S+ 0 0 43 -3,-1.2 4,-1.4 2,-0.3 -1,-0.3 0.763 101.4 54.8 -66.6 -37.4 44.1 -7.0 48.9 104 104 A L H <> S+ 0 0 14 -3,-2.4 4,-1.6 -4,-0.4 -1,-0.2 0.731 107.0 54.4 -64.7 -35.1 45.2 -9.1 46.0 105 105 A E H X S+ 0 0 81 -4,-2.0 4,-1.5 1,-0.2 -2,-0.3 0.927 106.0 50.5 -66.4 -40.3 47.1 -5.9 45.1 106 106 A F H X S+ 0 0 30 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.850 109.4 50.5 -63.4 -40.5 48.8 -5.7 48.5 107 107 A I H X S+ 0 0 31 -4,-1.4 4,-3.8 2,-0.2 -1,-0.2 0.825 103.5 57.0 -67.9 -36.2 49.9 -9.3 48.4 108 108 A S H X S+ 0 0 6 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.876 111.3 46.7 -59.1 -42.8 51.5 -8.9 44.9 109 109 A E H X S+ 0 0 87 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.949 110.4 50.3 -66.0 -52.2 53.5 -6.2 46.5 110 110 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.943 112.8 49.1 -52.0 -54.2 54.4 -8.3 49.5 111 111 A I H X S+ 0 0 8 -4,-3.8 4,-1.5 1,-0.2 -1,-0.2 0.899 112.6 44.8 -54.9 -46.7 55.5 -11.1 47.1 112 112 A I H X S+ 0 0 46 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.795 110.3 55.8 -65.9 -39.8 57.7 -8.8 44.9 113 113 A Q H X S+ 0 0 57 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.910 108.0 48.6 -63.2 -43.2 59.2 -7.2 48.0 114 114 A V H X S+ 0 0 2 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.855 110.6 49.7 -63.2 -44.0 60.3 -10.7 49.4 115 115 A L H X S+ 0 0 3 -4,-1.5 4,-2.9 -5,-0.3 -1,-0.2 0.918 115.1 44.9 -63.4 -39.7 61.9 -11.7 46.0 116 116 A Q H < S+ 0 0 75 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.880 115.4 47.5 -70.3 -44.5 63.8 -8.4 45.9 117 117 A S H < S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.922 127.2 28.0 -62.1 -45.3 64.8 -8.8 49.7 118 118 A K H < S+ 0 0 66 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.680 130.4 30.0 -95.3 -21.6 65.9 -12.3 49.1 119 119 A H X + 0 0 31 -4,-2.9 4,-1.2 -5,-0.2 3,-0.4 -0.480 59.9 147.6-138.2 57.2 67.0 -12.7 45.5 120 120 A P T 4 S+ 0 0 81 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.729 79.3 54.2 -61.4 -27.2 68.3 -9.4 44.4 121 121 A G T 4 S+ 0 0 74 1,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.796 117.6 32.6 -74.3 -43.8 70.7 -11.2 42.2 122 122 A D T 4 S+ 0 0 83 -3,-0.4 2,-0.4 -7,-0.2 -1,-0.1 0.260 111.4 69.0 -93.5 -8.9 67.9 -13.3 40.4 123 123 A F < + 0 0 0 -4,-1.2 -1,-0.2 -8,-0.1 2,-0.1 -0.613 69.1 148.6-123.4 61.0 65.4 -10.5 40.6 124 124 A G > - 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0 0 34 -4,-3.4 3,-3.3 -5,-0.2 4,-0.3 -0.735 68.9-178.4-138.0 75.6 51.1 13.1 -10.5 191 37 B P G >> S+ 0 0 82 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.634 78.2 68.7 -47.0 -34.6 50.3 14.0 -14.1 192 38 B E G 34 S+ 0 0 71 1,-0.3 4,-0.4 2,-0.2 3,-0.2 0.554 87.1 65.5 -63.1 -18.7 46.6 13.9 -13.3 193 39 B T G X4 S+ 0 0 4 -3,-3.3 3,-0.9 -7,-0.3 -1,-0.3 0.758 91.9 64.9 -73.3 -23.3 47.1 17.0 -11.2 194 40 B L G X4 S+ 0 0 21 -3,-1.7 3,-2.9 -4,-0.3 6,-0.3 0.865 87.8 67.6 -60.7 -38.5 48.0 18.8 -14.4 195 41 B E G 3< S+ 0 0 104 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.776 90.1 63.8 -51.1 -34.6 44.5 18.3 -15.8 196 42 B K G < S+ 0 0 83 -3,-0.9 2,-0.8 -4,-0.4 -1,-0.3 0.593 92.1 72.7 -68.6 -17.9 43.2 20.7 -13.1 197 43 B F X> + 0 0 45 -3,-2.9 3,-1.9 -4,-0.2 4,-0.7 -0.868 55.1 178.2-109.0 102.2 45.2 23.6 -14.7 198 44 B D G >4 S+ 0 0 119 -2,-0.8 3,-1.8 1,-0.3 4,-0.5 0.963 84.7 60.3 -48.8 -58.8 43.6 24.6 -17.9 199 45 B K G 34 S+ 0 0 120 1,-0.3 -1,-0.3 -3,-0.1 15,-0.1 0.507 118.2 26.6 -44.0 -20.1 46.1 27.1 -18.2 200 46 B F G X4 S+ 0 0 1 -3,-1.9 3,-1.4 -6,-0.3 -1,-0.3 0.313 84.3 105.2-138.4 5.2 48.9 24.5 -18.2 201 47 B K T << S+ 0 0 105 -3,-1.8 -2,-0.1 -4,-0.7 -3,-0.1 0.678 79.2 59.8 -67.3 -14.0 47.2 21.4 -19.6 202 48 B H T 3 S+ 0 0 107 -4,-0.5 2,-0.5 2,-0.0 -1,-0.2 0.485 75.2 106.5 -84.0 -10.5 49.1 22.0 -23.0 203 49 B L < - 0 0 18 -3,-1.4 3,-0.1 1,-0.1 -3,-0.1 -0.630 46.2-179.3 -76.1 123.0 52.6 21.8 -21.5 204 50 B K + 0 0 157 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.590 53.3 28.1-105.2 -8.8 53.9 18.4 -22.6 205 51 B S S > S- 0 0 43 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.975 78.1-107.0-150.0 161.9 57.4 18.1 -21.2 206 52 B E H > S+ 0 0 64 -2,-0.3 4,-4.4 1,-0.3 5,-0.2 0.943 122.8 54.7 -51.1 -50.2 59.5 19.2 -18.2 207 53 B D H > S+ 0 0 120 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.942 106.5 49.3 -53.6 -44.4 61.3 21.4 -20.6 208 54 B E H >> S+ 0 0 84 2,-0.2 4,-1.4 1,-0.2 3,-0.9 0.964 111.6 52.6 -63.2 -40.5 57.9 23.0 -21.6 209 55 B M H 3< S+ 0 0 10 -4,-2.4 -2,-0.2 1,-0.3 3,-0.2 0.925 108.7 47.7 -58.6 -52.1 57.2 23.4 -17.8 210 56 B K H 3< S+ 0 0 92 -4,-4.4 -1,-0.3 1,-0.2 -2,-0.2 0.694 109.3 54.0 -68.7 -14.9 60.4 25.1 -17.1 211 57 B A H << S+ 0 0 85 -4,-1.1 2,-0.3 -3,-0.9 -1,-0.2 0.745 86.0 103.6 -80.6 -34.3 60.0 27.6 -20.1 212 58 B S X - 0 0 25 -4,-1.4 4,-1.1 -3,-0.2 -12,-0.0 -0.397 51.0-169.4 -58.9 114.6 56.6 28.7 -18.9 213 59 B E H > S+ 0 0 132 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.699 87.8 54.0 -73.8 -37.3 56.5 32.1 -17.3 214 60 B D H > S+ 0 0 60 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.646 104.5 53.9 -80.0 -19.8 53.0 31.6 -16.0 215 61 B L H > S+ 0 0 0 2,-0.2 4,-2.0 -6,-0.2 -2,-0.2 0.856 109.9 48.5 -79.2 -39.6 53.8 28.4 -14.3 216 62 B K H X S+ 0 0 98 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.864 112.0 50.2 -60.5 -39.4 56.6 30.2 -12.5 217 63 B K H X S+ 0 0 120 -4,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.929 111.0 47.3 -71.9 -45.1 54.1 33.0 -11.7 218 64 B H H X S+ 0 0 60 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.728 108.5 56.6 -61.3 -36.2 51.6 30.4 -10.3 219 65 B G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.918 107.1 49.2 -63.9 -45.0 54.5 28.7 -8.3 220 66 B N H X S+ 0 0 62 -4,-1.6 4,-0.5 2,-0.2 -2,-0.2 0.840 111.2 49.5 -67.1 -41.1 55.3 32.1 -6.6 221 67 B T H >X S+ 0 0 83 -4,-1.2 4,-2.3 2,-0.2 3,-0.7 0.882 110.5 50.3 -62.7 -51.1 51.5 32.5 -5.7 222 68 B V H 3X S+ 0 0 38 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.949 116.4 39.8 -58.0 -54.8 51.2 29.0 -4.3 223 69 B L H 3X S+ 0 0 5 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.452 112.1 56.1 -73.4 -12.3 54.3 29.4 -2.0 224 70 B T H X S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 3,-0.6 0.892 106.9 55.4 -62.2 -49.6 51.8 28.9 2.1 227 73 B G H 3X S+ 0 0 4 -4,-1.2 4,-1.8 1,-0.3 -1,-0.2 0.824 106.0 57.0 -41.5 -51.7 54.5 31.3 3.6 228 74 B G H 3< S+ 0 0 32 -4,-1.5 4,-0.4 1,-0.2 -1,-0.3 0.831 110.6 39.2 -56.0 -45.7 51.5 33.3 5.0 229 75 B I H X<>S+ 0 0 2 -4,-1.0 3,-1.5 -3,-0.6 5,-0.7 0.933 110.9 57.9 -79.2 -42.0 49.9 30.4 6.8 230 76 B L H ><5S+ 0 0 3 -4,-2.3 3,-0.7 1,-0.3 -2,-0.2 0.861 104.4 52.7 -56.3 -40.0 53.1 28.9 8.1 231 77 B K T 3<5S+ 0 0 97 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.616 96.4 64.5 -75.2 -19.2 54.0 32.0 9.8 232 78 B K T X 5S- 0 0 96 -3,-1.5 3,-4.0 -4,-0.4 -1,-0.2 0.059 98.7-144.0 -84.3 9.1 50.7 32.3 11.6 233 79 B K T < 5S- 0 0 69 -3,-0.7 -3,-0.1 1,-0.3 -77,-0.1 0.637 71.2 -28.4 25.5 44.8 51.9 29.1 13.3 234 80 B G T 3 + 0 0 4 -2,-1.0 4,-3.6 1,-0.1 5,-0.3 0.157 21.2 115.9-126.1 20.0 45.6 30.4 10.1 237 83 B E H > S+ 0 0 116 2,-0.2 4,-0.7 1,-0.2 -1,-0.1 0.776 79.3 50.6 -52.4 -40.4 41.9 30.1 9.8 238 84 B A H 4 S+ 0 0 70 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.906 117.4 41.3 -67.3 -43.9 41.3 33.5 8.2 239 85 B E H > S+ 0 0 70 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.875 117.2 46.2 -68.3 -47.8 44.0 32.7 5.6 240 86 B L H X S+ 0 0 1 -4,-3.6 4,-2.3 1,-0.2 -1,-0.2 0.622 99.9 74.5 -76.8 -10.9 43.0 29.1 5.1 241 87 B T H X S+ 0 0 49 -4,-0.7 4,-1.7 -5,-0.3 -1,-0.2 0.963 99.7 37.8 -65.6 -55.0 39.3 30.1 4.9 242 88 B P H > S+ 0 0 68 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.885 114.3 58.3 -58.9 -40.0 39.4 31.7 1.4 243 89 B L H X S+ 0 0 38 -4,-1.0 4,-2.5 1,-0.2 5,-0.2 0.927 106.6 47.6 -59.4 -43.6 41.8 29.0 0.2 244 90 B A H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.885 109.4 51.5 -72.5 -31.9 39.4 26.2 1.1 245 91 B Q H >X>S+ 0 0 88 -4,-1.7 4,-3.4 -5,-0.2 3,-1.2 0.999 114.2 42.8 -61.8 -63.3 36.3 27.7 -0.5 246 92 B S H 3X>S+ 0 0 33 -4,-2.1 5,-1.6 1,-0.3 4,-1.1 0.918 118.1 43.8 -53.4 -45.9 38.0 28.3 -3.8 247 93 B H H 3<5S+ 0 0 53 -4,-2.5 6,-4.2 -5,-0.3 -1,-0.3 0.733 121.9 41.4 -74.5 -11.9 39.8 24.9 -3.9 248 94 B A H <<5S+ 0 0 4 -3,-1.2 -2,-0.2 -4,-1.0 -3,-0.2 0.908 131.6 21.4 -89.7 -56.3 36.7 23.2 -2.7 249 95 B T H <5S+ 0 0 88 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.832 136.1 25.0 -83.8 -52.6 34.1 25.1 -4.9 250 96 B K T <> - 0 0 31 0, 0.0 3,-1.0 0, 0.0 4,-0.8 -0.132 22.1-115.4 -55.8 153.7 40.7 16.9 -3.5 255 101 B V H >> S+ 0 0 30 1,-0.2 4,-2.8 51,-0.2 3,-1.0 0.901 112.4 66.4 -69.5 -36.1 42.9 16.4 -0.4 256 102 B K H 3> S+ 0 0 124 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.786 102.8 51.8 -46.3 -32.4 45.0 13.5 -1.9 257 103 B Y H <> S+ 0 0 34 -3,-1.0 4,-1.4 2,-0.2 -1,-0.3 0.811 104.6 52.9 -72.2 -43.9 46.2 16.3 -4.2 258 104 B L H < + 0 0 34 -4,-2.5 3,-1.1 -5,-0.3 4,-0.3 -0.562 60.5 154.9-127.5 58.4 68.8 22.6 1.0 274 120 B P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.636 74.7 58.9 -63.4 -15.7 70.0 19.2 2.2 275 121 B G T 3 S+ 0 0 73 1,-0.1 3,-0.2 -3,-0.1 -5,-0.1 0.687 113.2 32.2 -85.3 -28.6 72.0 21.0 4.9 276 122 B D S < S+ 0 0 80 -3,-1.1 -1,-0.1 -7,-0.2 2,-0.1 0.092 109.2 75.5-112.3 7.3 69.1 22.9 6.7 277 123 B F + 0 0 1 -4,-0.3 -1,-0.2 4,-0.1 2,-0.1 -0.478 67.9 145.9-130.7 58.6 66.9 20.1 6.0 278 124 B G > - 0 0 33 -3,-0.2 4,-3.0 -2,-0.1 5,-0.1 -0.012 69.6 -73.6 -83.6-176.7 68.0 17.5 8.4 279 125 B A H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.788 134.4 43.4 -49.1 -41.1 66.0 14.8 10.3 280 126 B D H > S+ 0 0 129 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.893 112.5 46.6 -67.6 -62.9 64.6 17.6 12.6 281 127 B A H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 113.2 56.9 -55.6 -42.2 63.7 20.3 9.9 282 128 B Q H X S+ 0 0 73 -4,-3.0 4,-2.5 2,-0.2 5,-0.3 0.950 108.5 41.0 -54.5 -63.8 62.1 17.4 8.0 283 129 B G H X S+ 0 0 20 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.958 115.2 53.5 -53.4 -44.4 59.7 16.2 10.9 284 130 B A H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.962 111.4 45.1 -49.1 -63.7 58.9 19.9 11.7 285 131 B M H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.870 113.9 47.9 -52.4 -47.8 57.9 20.6 8.0 286 132 B S H X S+ 0 0 42 -4,-2.5 4,-3.1 -5,-0.2 -1,-0.2 0.886 110.4 52.1 -65.9 -37.1 55.9 17.5 7.6 287 133 B K H X S+ 0 0 80 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.948 111.6 46.6 -60.4 -51.9 54.0 18.1 10.8 288 134 B A H X S+ 0 0 2 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.768 113.3 48.5 -60.9 -35.7 53.2 21.6 9.7 289 135 B L H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.869 110.7 52.2 -77.6 -37.7 52.1 20.4 6.2 290 136 B E H X S+ 0 0 88 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.818 108.1 49.7 -68.4 -28.9 50.0 17.8 7.7 291 137 B L H X S+ 0 0 44 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.912 109.1 52.7 -68.1 -47.5 48.3 20.3 10.0 292 138 B F H X S+ 0 0 15 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.905 111.8 46.2 -51.4 -50.0 47.6 22.5 7.0 293 139 B R H X S+ 0 0 46 -4,-2.1 4,-3.3 1,-0.2 -1,-0.2 0.890 110.2 53.0 -59.6 -49.6 46.0 19.6 5.1 294 140 B N H X S+ 0 0 87 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.868 111.1 45.6 -54.7 -45.2 44.0 18.5 8.1 295 141 B D H X S+ 0 0 51 -4,-2.6 4,-1.2 2,-0.2 3,-0.3 0.935 113.1 51.9 -67.2 -38.5 42.5 22.0 8.6 296 142 B M H >X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 3,-1.1 0.966 107.5 51.1 -58.7 -53.6 41.8 22.2 4.9 297 143 B A H 3X S+ 0 0 19 -4,-3.3 4,-1.4 1,-0.3 -1,-0.2 0.737 105.4 56.7 -60.0 -27.8 40.1 18.9 4.9 298 144 B A H 3X S+ 0 0 55 -4,-1.3 4,-1.3 -3,-0.3 -1,-0.3 0.725 108.0 46.4 -73.3 -33.5 37.8 20.0 7.7 299 145 B K H S+ 0 0 0 -4,-2.0 5,-0.7 -5,-0.2 4,-0.6 0.915 107.8 48.2 -54.8 -54.7 36.1 20.8 2.8 301 147 B K H <5S+ 0 0 84 -4,-1.4 -2,-0.2 1,-0.2 3,-0.2 0.765 111.8 47.1 -59.8 -45.2 33.8 18.7 4.9 302 148 B E H <5S+ 0 0 150 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.734 110.8 51.0 -70.8 -22.5 31.8 21.6 6.3 303 149 B L H <5S- 0 0 78 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.622 123.8-107.8 -87.4 -20.3 31.4 23.2 2.8 304 150 B G T <5S+ 0 0 64 -4,-0.6 3,-0.2 1,-0.3 -3,-0.2 -0.241 71.4 143.3 119.2 -32.9 30.2 19.7 1.7 305 151 B F < - 0 0 44 -5,-0.7 -1,-0.3 -6,-0.2 -2,-0.1 0.021 61.3 -43.5 -49.7 127.2 33.2 18.7 -0.3 306 152 B Q 0 0 73 1,-0.1 -51,-0.2 -58,-0.1 -1,-0.2 0.664 360.0 360.0 0.2 108.8 34.6 15.1 -0.4 307 153 B G 0 0 129 -3,-0.2 -1,-0.1 -6,-0.1 -2,-0.1 0.303 360.0 360.0-135.5 360.0 34.9 13.1 2.8