==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 06-DEC-06 2O5S . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR G.B.RICHTER-ADDO,Z.N.ZAHRAN,L.CHOOBACK,D.M.COPELAND,A.H.WEST . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8095.0 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 0 1 0 0 0 0 0 0 1 0 2 0 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 X G 0 0 97 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0-176.2 -1.8 6.1 1.5 2 2 X L - 0 0 23 77,-0.1 128,-0.0 1,-0.1 2,-0.0 -0.839 360.0-119.7-104.6 147.0 -0.4 7.9 4.5 3 3 X S > - 0 0 59 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.280 31.6-106.6 -71.1 165.0 3.0 9.6 4.7 4 4 X D H > S+ 0 0 130 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 124.0 52.4 -58.2 -43.4 5.6 8.3 7.3 5 5 X G H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 108.9 49.8 -59.9 -40.5 4.9 11.5 9.3 6 6 X E H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.920 109.6 50.2 -65.3 -45.5 1.2 10.7 9.2 7 7 X W H X S+ 0 0 19 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.908 107.7 55.1 -58.6 -38.9 1.7 7.1 10.4 8 8 X Q H X S+ 0 0 150 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.908 108.7 47.4 -61.7 -40.6 3.9 8.4 13.2 9 9 X Q H X S+ 0 0 48 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.922 110.6 52.6 -63.3 -43.6 1.0 10.7 14.3 10 10 X V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.945 113.2 42.8 -56.7 -49.2 -1.5 7.8 14.1 11 11 X L H X S+ 0 0 47 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.783 111.5 55.0 -77.1 -22.9 0.7 5.5 16.3 12 12 X N H >X S+ 0 0 103 -4,-1.9 4,-0.7 -5,-0.3 3,-0.6 0.950 110.4 45.7 -68.7 -48.7 1.4 8.3 18.7 13 13 X V H >X S+ 0 0 2 -4,-2.9 3,-1.4 1,-0.2 4,-1.1 0.907 107.2 59.7 -56.3 -40.4 -2.3 8.9 19.2 14 14 X W H 3X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.3 -1,-0.2 0.820 92.1 67.0 -63.4 -28.9 -2.7 5.1 19.5 15 15 X G H < S+ 0 0 4 -4,-1.1 3,-1.8 1,-0.2 7,-0.3 0.927 106.1 57.4 -58.9 -44.9 -5.6 4.4 23.5 18 18 X E H >< S+ 0 0 92 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.679 91.4 69.7 -65.9 -19.8 -3.2 1.7 24.8 19 19 X A T << S+ 0 0 91 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.761 125.3 7.9 -66.8 -25.1 -3.0 3.3 28.2 20 20 X D T <> S+ 0 0 77 -3,-1.8 4,-2.5 -4,-0.4 -1,-0.3 -0.488 74.9 164.3-154.1 74.9 -6.6 2.2 28.8 21 21 X I H <> S+ 0 0 42 -3,-0.6 4,-3.0 1,-0.2 5,-0.2 0.916 78.3 48.5 -67.5 -45.5 -7.7 -0.0 25.9 22 22 X A H > S+ 0 0 20 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.899 112.6 49.5 -58.1 -43.7 -10.8 -1.4 27.6 23 23 X G H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.934 114.6 43.8 -63.8 -47.4 -12.0 2.1 28.6 24 24 X H H X S+ 0 0 6 -4,-2.5 4,-2.5 -7,-0.3 -2,-0.2 0.933 115.1 49.6 -60.5 -44.0 -11.5 3.4 25.1 25 25 X G H X S+ 0 0 1 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.920 111.1 49.3 -63.0 -45.9 -13.1 0.3 23.6 26 26 X Q H X S+ 0 0 4 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.942 112.4 47.0 -56.2 -51.2 -16.1 0.6 26.0 27 27 X E H X S+ 0 0 55 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.870 110.6 53.0 -64.1 -37.2 -16.7 4.3 25.2 28 28 X V H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.938 112.8 44.0 -60.6 -47.6 -16.4 3.7 21.4 29 29 X L H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.910 113.5 49.9 -67.8 -39.5 -19.0 1.0 21.6 30 30 X I H X S+ 0 0 8 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.932 110.9 50.4 -63.5 -43.7 -21.3 3.0 23.8 31 31 X R H X S+ 0 0 115 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.924 113.2 46.5 -57.4 -46.8 -21.0 5.9 21.5 32 32 X L H X S+ 0 0 10 -4,-2.6 4,-2.0 2,-0.2 7,-0.3 0.937 115.2 45.1 -56.5 -49.6 -21.8 3.7 18.5 33 33 X F H < S+ 0 0 3 -4,-2.9 7,-0.3 1,-0.2 -2,-0.2 0.879 116.8 43.9 -70.0 -39.2 -24.8 2.0 20.2 34 34 X T H < S+ 0 0 63 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.882 118.0 43.0 -75.9 -38.5 -26.3 5.2 21.6 35 35 X G H < S+ 0 0 45 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.789 131.2 24.3 -74.6 -26.2 -25.9 7.3 18.4 36 36 X H >X - 0 0 55 -4,-2.0 3,-2.4 -5,-0.2 4,-0.6 -0.672 65.9-178.5-142.3 76.0 -27.0 4.4 16.2 37 37 X P H >> S+ 0 0 81 0, 0.0 4,-0.9 0, 0.0 3,-0.6 0.729 78.0 72.2 -55.7 -22.0 -29.3 2.0 18.0 38 38 X E H 34 S+ 0 0 82 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.811 90.8 60.4 -60.3 -28.5 -29.6 -0.2 14.9 39 39 X T H X4 S+ 0 0 3 -3,-2.4 3,-1.4 -7,-0.3 4,-0.3 0.857 95.0 60.7 -69.2 -33.9 -26.0 -1.3 15.5 40 40 X L H X< S+ 0 0 15 -3,-0.6 3,-1.9 -4,-0.6 6,-0.3 0.857 94.2 65.5 -60.7 -32.7 -26.8 -2.8 18.9 41 41 X E T 3< S+ 0 0 114 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.699 90.1 64.6 -66.9 -18.9 -29.2 -5.1 17.1 42 42 X K T < S+ 0 0 81 -3,-1.4 2,-0.8 -4,-0.4 -1,-0.3 0.621 91.8 73.0 -74.8 -14.1 -26.3 -6.8 15.4 43 43 X F X> - 0 0 48 -3,-1.9 3,-1.9 -4,-0.3 4,-1.7 -0.841 58.9-173.3-107.6 96.7 -25.0 -8.0 18.7 44 44 X D T 34 S+ 0 0 124 -2,-0.8 4,-0.3 1,-0.3 3,-0.2 0.896 89.4 53.3 -49.7 -40.0 -27.1 -10.8 20.2 45 45 X K T 34 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 15,-0.1 0.438 116.1 36.2 -81.8 -0.9 -25.0 -10.6 23.4 46 46 X F T X4 S+ 0 0 1 -3,-1.9 3,-2.3 -6,-0.3 -1,-0.2 0.470 87.3 90.6-122.8 -7.9 -25.5 -6.8 23.9 47 47 X K T 3< S+ 0 0 82 -4,-1.7 -2,-0.1 1,-0.3 -3,-0.1 0.682 77.6 69.6 -67.9 -10.7 -29.1 -6.3 22.7 48 48 X H T 3 S+ 0 0 105 -4,-0.3 2,-0.8 6,-0.0 -1,-0.3 0.590 75.1 100.7 -72.5 -14.4 -30.2 -6.9 26.3 49 49 X L < + 0 0 6 -3,-2.3 3,-0.0 1,-0.2 -3,-0.0 -0.675 44.5 169.2 -79.0 108.3 -28.6 -3.6 27.2 50 50 X K + 0 0 157 -2,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.673 58.7 33.9 -96.5 -21.2 -31.6 -1.2 27.4 51 51 X T S > S- 0 0 69 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.920 77.3-116.9-131.8 159.0 -29.9 1.9 28.9 52 52 X E H > S+ 0 0 116 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.838 116.5 59.0 -60.5 -35.1 -26.5 3.6 28.8 53 53 X A H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.951 106.8 46.6 -58.7 -47.5 -26.1 2.8 32.5 54 54 X E H > S+ 0 0 87 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.889 113.0 50.2 -60.7 -39.6 -26.5 -0.9 31.8 55 55 X M H >< S+ 0 0 12 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.945 111.2 47.9 -63.1 -47.0 -24.0 -0.5 28.9 56 56 X K H 3< S+ 0 0 113 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.809 112.8 49.3 -61.6 -32.7 -21.5 1.3 31.2 57 57 X A H 3< S+ 0 0 73 -4,-2.0 2,-0.7 -5,-0.2 -1,-0.3 0.489 85.4 108.5 -87.0 -5.2 -21.9 -1.4 33.9 58 58 X S S+ 0 0 125 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.831 87.9 57.3 -70.7 -28.8 -18.0 -5.9 32.0 60 60 X D H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.846 103.3 53.4 -71.7 -31.2 -18.6 -8.0 28.9 61 61 X L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 108.9 49.2 -64.7 -43.4 -19.0 -4.8 26.8 62 62 X K H X S+ 0 0 75 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.923 110.8 51.3 -60.1 -44.2 -15.6 -3.6 28.2 63 63 X K H X S+ 0 0 137 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.935 110.8 46.8 -59.0 -50.0 -14.2 -7.0 27.3 64 64 X H H X S+ 0 0 38 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.912 107.8 56.8 -60.3 -40.4 -15.5 -6.8 23.7 65 65 X G H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.904 106.1 51.5 -58.4 -39.3 -14.1 -3.2 23.5 66 66 X T H X S+ 0 0 43 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.924 110.2 48.0 -58.7 -45.6 -10.7 -4.7 24.3 67 67 X V H X S+ 0 0 85 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.943 114.4 47.2 -60.9 -47.6 -11.0 -7.3 21.5 68 68 X V H X S+ 0 0 40 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.956 115.3 41.7 -62.6 -51.9 -12.1 -4.7 19.0 69 69 X L H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.835 111.8 56.1 -72.5 -27.1 -9.5 -2.1 19.7 70 70 X T H X S+ 0 0 82 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.934 109.7 47.1 -64.9 -41.6 -6.7 -4.7 20.0 71 71 X A H X S+ 0 0 40 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.957 114.3 46.2 -63.9 -47.4 -7.6 -5.9 16.5 72 72 X L H X S+ 0 0 12 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.907 110.6 53.0 -61.6 -42.6 -7.7 -2.4 15.2 73 73 X G H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.906 107.3 51.9 -62.4 -41.8 -4.4 -1.5 16.9 74 74 X G H < S+ 0 0 38 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.920 112.0 47.6 -55.1 -45.4 -2.7 -4.6 15.3 75 75 X I H ><>S+ 0 0 6 -4,-2.1 3,-1.6 1,-0.2 5,-0.5 0.942 110.4 50.3 -63.9 -47.9 -4.0 -3.4 11.9 76 76 X L H ><5S+ 0 0 4 -4,-3.0 3,-2.2 1,-0.3 -1,-0.2 0.893 103.3 59.4 -61.6 -37.9 -2.8 0.2 12.4 77 77 X K T 3<5S+ 0 0 96 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.655 94.3 66.5 -67.9 -12.8 0.7 -0.9 13.4 78 78 X K T X 5S- 0 0 84 -3,-1.6 3,-2.1 -4,-0.5 -1,-0.3 0.564 98.6-142.1 -79.5 -10.2 0.9 -2.5 9.9 79 79 X K T < 5S- 0 0 88 -3,-2.2 -3,-0.1 -4,-0.3 -77,-0.1 0.895 71.8 -38.3 51.8 48.7 0.8 1.0 8.5 80 80 X G T 3 + 0 0 7 -2,-1.4 4,-3.2 1,-0.1 5,-0.3 0.104 16.1 122.0-120.4 18.3 -2.6 -5.1 6.5 83 83 X E H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.903 81.8 46.4 -50.5 -47.1 -4.1 -7.5 3.9 84 84 X A H 4 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.876 119.4 40.2 -67.0 -37.6 -3.7 -10.6 6.0 85 85 X E H > S+ 0 0 65 -3,-0.2 4,-0.7 2,-0.1 -1,-0.2 0.848 120.5 43.2 -75.9 -38.2 -5.1 -8.9 9.1 86 86 X L H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.3 0.895 101.1 64.8 -84.2 -40.0 -7.9 -7.1 7.3 87 87 X K H X S+ 0 0 81 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.915 103.9 45.8 -51.6 -53.7 -9.2 -9.7 4.9 88 88 X P H > S+ 0 0 76 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.849 113.6 50.4 -61.4 -33.5 -10.6 -12.1 7.6 89 89 X L H X S+ 0 0 52 -4,-0.7 4,-2.5 -3,-0.2 -2,-0.2 0.928 110.7 48.9 -67.6 -45.2 -12.2 -9.2 9.5 90 90 X A H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.933 113.7 47.4 -56.7 -44.8 -13.8 -8.0 6.4 91 91 X Q H X>S+ 0 0 64 -4,-2.7 4,-2.7 -5,-0.3 5,-0.6 0.906 112.5 46.5 -71.4 -38.6 -15.1 -11.4 5.6 92 92 X S H X>S+ 0 0 37 -4,-2.4 5,-2.7 3,-0.2 4,-1.4 0.913 114.0 49.7 -69.5 -36.4 -16.5 -12.2 9.1 93 93 X H H <5S+ 0 0 58 -4,-2.5 6,-3.1 -5,-0.2 -2,-0.2 0.879 119.0 36.8 -71.8 -33.9 -18.2 -8.8 9.3 94 94 X A H <5S+ 0 0 0 -4,-2.3 4,-0.3 4,-0.2 -2,-0.2 0.960 129.1 29.2 -76.1 -54.0 -19.8 -9.2 5.9 95 95 X T H <5S+ 0 0 81 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.870 133.1 22.8 -85.3 -38.2 -20.7 -12.9 5.9 96 96 X K T <> - 0 0 21 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.320 24.3-113.1 -60.9 151.7 -23.1 -2.9 6.4 101 101 X I H >> S+ 0 0 56 1,-0.3 4,-1.6 2,-0.2 3,-0.8 0.807 113.6 70.3 -56.7 -31.9 -20.1 -0.6 5.5 102 102 X K H 3> S+ 0 0 102 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.839 92.7 56.9 -50.7 -38.7 -22.1 2.4 6.9 103 103 X Y H <> S+ 0 0 39 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.832 102.4 54.5 -68.8 -30.0 -21.7 0.9 10.4 104 104 X L H < S- 0 0 37 -4,-1.6 3,-2.4 -5,-0.3 -1,-0.2 -0.355 77.7-174.6-136.4 56.5 -8.1 13.8 25.5 120 120 X P T 3 S+ 0 0 103 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.311 77.7 4.7 -63.3 127.4 -9.5 17.3 25.2 121 121 X G T 3 S+ 0 0 89 2,-0.2 3,-0.1 1,-0.1 -5,-0.1 0.383 116.8 83.6 81.9 -4.4 -6.9 19.7 23.8 122 122 X D S < S+ 0 0 92 -3,-2.4 2,-0.3 -6,-0.2 -1,-0.1 0.065 73.2 71.4-117.8 22.2 -4.5 16.8 23.4 123 123 X F S S- 0 0 7 -4,-0.1 -2,-0.2 -7,-0.1 -1,-0.2 -0.698 78.8-163.0-135.8 80.6 -5.7 15.5 20.0 124 124 X G > - 0 0 36 -2,-0.3 4,-2.9 -3,-0.1 5,-0.2 0.051 32.9 -97.9 -69.6 172.4 -4.6 18.2 17.6 125 125 X A H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.866 124.1 47.9 -58.9 -41.1 -5.6 19.1 14.1 126 126 X D H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.942 112.8 49.3 -65.7 -44.7 -2.6 17.2 12.5 127 127 X A H > S+ 0 0 7 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.915 111.0 49.0 -59.5 -45.2 -3.3 14.2 14.7 128 128 X Q H X S+ 0 0 74 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.896 110.1 52.0 -63.0 -41.0 -7.0 14.1 13.8 129 129 X G H X S+ 0 0 37 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.921 112.9 45.3 -59.0 -45.0 -6.1 14.4 10.1 130 130 X A H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.955 114.0 46.5 -66.6 -49.1 -3.7 11.5 10.4 131 131 X M H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.900 111.2 53.6 -60.2 -40.0 -6.1 9.2 12.4 132 132 X T H X S+ 0 0 43 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.935 108.5 49.4 -61.7 -46.7 -8.9 10.1 10.0 133 133 X K H X S+ 0 0 73 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.872 111.1 49.9 -55.1 -42.0 -6.8 9.0 7.0 134 134 X A H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.907 112.4 46.6 -67.4 -42.0 -5.9 5.7 8.7 135 135 X L H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.847 111.5 51.1 -68.9 -35.6 -9.5 5.0 9.5 136 136 X E H X S+ 0 0 93 -4,-2.5 4,-3.1 -5,-0.2 5,-0.2 0.889 109.8 50.6 -66.6 -39.4 -10.6 5.8 6.0 137 137 X L H X S+ 0 0 40 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.949 111.7 47.7 -60.4 -50.0 -7.9 3.5 4.6 138 138 X F H X S+ 0 0 20 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.960 115.9 44.5 -49.7 -55.8 -9.1 0.7 6.9 139 139 X R H X S+ 0 0 52 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.900 113.2 50.6 -59.1 -43.3 -12.7 1.4 5.8 140 140 X N H X S+ 0 0 109 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.886 109.7 49.1 -67.6 -39.2 -11.9 1.6 2.2 141 141 X D H X S+ 0 0 50 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.881 112.3 49.1 -68.1 -35.1 -9.9 -1.7 2.2 142 142 X I H X S+ 0 0 5 -4,-2.2 4,-2.8 -5,-0.2 3,-0.3 0.932 107.0 56.4 -64.7 -44.3 -12.8 -3.4 3.9 143 143 X A H X S+ 0 0 34 -4,-2.8 4,-2.7 1,-0.3 -2,-0.2 0.886 103.2 54.7 -55.6 -39.9 -15.2 -1.9 1.3 144 144 X A H X S+ 0 0 59 -4,-1.8 4,-2.0 2,-0.2 -1,-0.3 0.914 109.8 45.8 -59.8 -44.5 -13.1 -3.5 -1.4 145 145 X K H X S+ 0 0 29 -4,-1.4 4,-1.9 -3,-0.3 -2,-0.2 0.892 110.8 54.1 -66.5 -38.9 -13.6 -7.0 0.3 146 146 X Y H X>S+ 0 0 6 -4,-2.8 5,-2.5 2,-0.2 4,-0.6 0.921 107.8 49.4 -58.0 -45.6 -17.3 -6.2 0.7 147 147 X K H ><5S+ 0 0 184 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.915 106.5 56.2 -62.0 -40.5 -17.6 -5.5 -3.0 148 148 X E H 3<5S+ 0 0 124 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.923 113.0 41.5 -55.6 -42.0 -15.8 -8.8 -3.8 149 149 X L H 3<5S- 0 0 70 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.493 108.8-125.2 -83.2 -6.9 -18.5 -10.6 -1.8 150 150 X G T <<5 + 0 0 59 -3,-1.2 2,-0.5 -4,-0.6 -3,-0.2 0.748 50.6 168.8 63.0 29.0 -21.3 -8.5 -3.2 151 151 X F < 0 0 35 -5,-2.5 -1,-0.2 -6,-0.2 -50,-0.2 -0.623 360.0 360.0 -84.3 125.9 -22.2 -7.7 0.3 152 152 X Q 0 0 145 -2,-0.5 -53,-0.0 -3,-0.1 -58,-0.0 0.201 360.0 360.0 83.2 360.0 -24.8 -4.9 0.8