==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 18-OCT-97 1BJE . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR R.MAURUS,G.D.BRAYER . 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) . 120 78.4 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 . 17 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 61.4 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 2 0 0 0 0 0 1 0 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 83 0, 0.0 2,-0.3 0, 0.0 133,-0.1 0.000 360.0 360.0 360.0 -45.3 -2.3 16.8 14.7 2 2 A L - 0 0 24 77,-0.1 2,-0.1 132,-0.1 128,-0.0 -0.872 360.0-132.9-122.2 153.0 -0.6 15.3 17.7 3 3 A S > - 0 0 63 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.231 36.7-115.4 -75.6 161.0 -1.3 13.7 21.1 4 4 A D H > S+ 0 0 116 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.770 118.5 62.4 -83.7 -12.6 0.9 15.1 23.9 5 5 A G H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.971 110.1 42.6 -65.9 -41.2 2.5 11.6 24.3 6 6 A E H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.914 112.0 50.9 -66.6 -46.0 3.6 12.4 20.8 7 7 A W H X S+ 0 0 18 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.926 107.5 57.6 -55.1 -42.9 4.5 16.1 21.5 8 8 A Q H X S+ 0 0 144 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.899 105.7 47.8 -49.2 -50.5 6.5 14.6 24.4 9 9 A Q H X S+ 0 0 50 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.904 109.2 54.1 -62.3 -43.3 8.4 12.4 21.9 10 10 A V H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.861 112.1 42.2 -61.0 -45.6 9.1 15.4 19.7 11 11 A L H X S+ 0 0 56 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.806 110.1 59.0 -75.5 -22.1 10.6 17.6 22.4 12 12 A N H >< S+ 0 0 103 -4,-1.9 3,-1.0 -5,-0.3 -2,-0.2 0.983 112.3 39.7 -59.7 -56.5 12.5 14.5 23.7 13 13 A V H >X S+ 0 0 4 -4,-2.2 3,-0.9 1,-0.3 4,-0.7 0.571 106.2 62.7 -60.7 -34.9 14.2 14.3 20.3 14 14 A W H 3X S+ 0 0 5 -4,-1.3 4,-2.2 1,-0.2 -1,-0.3 0.700 90.8 71.5 -71.9 -18.1 14.6 18.1 19.9 15 15 A G H << S+ 0 0 42 -3,-1.0 4,-0.5 -4,-1.0 -1,-0.2 0.713 94.6 53.0 -64.0 -28.7 16.8 17.7 23.0 16 16 A K H <4 S+ 0 0 50 -3,-0.9 3,-0.4 2,-0.2 -1,-0.2 0.827 108.7 47.9 -70.2 -45.8 19.3 15.9 20.7 17 17 A V H >< S+ 0 0 4 -4,-0.7 3,-1.4 1,-0.2 7,-0.3 0.832 106.1 58.9 -65.4 -40.7 19.4 18.8 18.2 18 18 A E G >< S+ 0 0 103 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.742 93.6 64.8 -69.9 -14.8 19.8 21.4 20.9 19 19 A A G 3 S+ 0 0 90 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.641 126.6 11.3 -78.3 -17.4 23.1 19.8 22.2 20 20 A D G <> S+ 0 0 73 -3,-1.4 4,-2.4 -4,-0.2 -1,-0.3 -0.422 72.5 160.6-161.4 69.1 24.6 20.7 18.8 21 21 A I H <> S+ 0 0 47 -3,-0.5 4,-2.0 1,-0.2 48,-0.2 0.829 78.5 52.8 -61.7 -39.3 22.3 23.1 16.9 22 22 A A H > S+ 0 0 24 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.887 112.0 43.0 -70.2 -42.9 25.1 24.2 14.7 23 23 A G H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.911 115.5 48.7 -68.9 -42.5 26.2 20.8 13.6 24 24 A H H X S+ 0 0 6 -4,-2.4 4,-2.5 -7,-0.3 -2,-0.2 0.917 112.7 48.4 -62.3 -45.3 22.7 19.5 13.1 25 25 A G H X S+ 0 0 1 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.862 109.8 52.9 -63.6 -37.2 21.7 22.5 11.0 26 26 A Q H X S+ 0 0 27 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.914 111.5 44.0 -65.2 -46.3 24.9 22.2 8.9 27 27 A E H X S+ 0 0 54 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.890 110.6 56.2 -69.7 -35.6 24.2 18.5 8.0 28 28 A V H X S+ 0 0 3 -4,-2.5 4,-3.4 1,-0.2 3,-0.3 0.990 111.3 42.7 -58.9 -58.8 20.5 19.2 7.3 29 29 A L H X S+ 0 0 3 -4,-2.3 4,-3.0 1,-0.3 -1,-0.2 0.811 115.5 50.8 -56.9 -30.6 21.4 21.9 4.7 30 30 A I H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 -1,-0.3 0.865 111.5 46.2 -71.4 -41.7 24.1 19.7 3.3 31 31 A R H X S+ 0 0 106 -4,-3.2 4,-2.1 -3,-0.3 5,-0.3 0.940 117.2 45.9 -66.2 -40.3 21.7 16.8 3.0 32 32 A L H X S+ 0 0 12 -4,-3.4 4,-2.4 -5,-0.2 7,-0.2 0.974 116.7 44.3 -60.4 -59.2 19.1 19.2 1.5 33 33 A F H < S+ 0 0 6 -4,-3.0 7,-0.3 1,-0.2 -1,-0.2 0.756 116.3 42.9 -56.3 -38.9 21.7 20.8 -0.9 34 34 A T H < S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.829 117.5 44.7 -83.5 -35.0 23.4 17.6 -2.1 35 35 A G H < S+ 0 0 43 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.862 128.1 25.9 -72.0 -44.4 20.3 15.6 -2.6 36 36 A H >< + 0 0 59 -4,-2.4 3,-2.5 -5,-0.3 4,-0.4 -0.664 69.0 179.1-124.0 72.2 18.3 18.3 -4.4 37 37 A P G >> S+ 0 0 79 0, 0.0 4,-0.6 0, 0.0 3,-0.6 0.607 74.3 72.0 -47.7 -26.5 20.8 20.7 -6.0 38 38 A E G 34 S+ 0 0 82 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.755 89.6 65.0 -64.0 -24.4 18.1 22.9 -7.5 39 39 A T G X4 S+ 0 0 2 -3,-2.5 3,-2.0 1,-0.2 4,-0.4 0.860 89.1 64.6 -66.4 -36.7 17.5 24.1 -3.8 40 40 A L G X4 S+ 0 0 20 -3,-0.6 3,-1.9 -4,-0.4 6,-0.3 0.837 92.5 65.5 -53.0 -36.5 21.0 25.6 -3.7 41 41 A E G 3< S+ 0 0 120 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.687 87.7 65.5 -61.6 -20.6 19.8 28.0 -6.4 42 42 A K G < S+ 0 0 80 -3,-2.0 2,-0.6 -4,-0.3 -1,-0.3 0.698 95.1 68.8 -78.2 -15.3 17.3 29.6 -4.1 43 43 A F X - 0 0 59 -3,-1.9 3,-0.7 -4,-0.4 4,-0.4 -0.939 59.5-172.1-108.4 113.9 20.3 30.9 -2.0 44 44 A D T 3 S+ 0 0 135 -2,-0.6 4,-0.3 1,-0.2 3,-0.2 0.706 88.3 55.3 -72.7 -25.6 22.4 33.6 -3.6 45 45 A K T 3 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.1 15,-0.1 0.383 113.3 39.1 -87.8 -2.8 24.9 33.4 -0.7 46 46 A F S X S+ 0 0 0 -3,-0.7 3,-0.6 -6,-0.3 -1,-0.2 0.330 86.6 98.7-125.0 5.5 25.5 29.6 -1.2 47 47 A K T 3 S+ 0 0 71 -4,-0.4 -2,-0.1 1,-0.3 -3,-0.1 0.817 77.7 59.3 -57.2 -39.2 25.4 29.6 -5.0 48 48 A H T 3 S+ 0 0 125 -4,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.821 79.6 104.3 -64.6 -35.9 29.2 29.6 -5.2 49 49 A L < + 0 0 10 -3,-0.6 3,-0.1 1,-0.2 -3,-0.1 -0.225 37.4 161.7 -52.4 129.0 29.4 26.3 -3.2 50 50 A K + 0 0 183 1,-0.2 2,-0.2 0, 0.0 -1,-0.2 0.699 56.3 37.4-119.6 -41.7 30.2 23.6 -5.7 51 51 A T S > S- 0 0 76 1,-0.1 4,-1.1 0, 0.0 -1,-0.2 -0.607 79.0-115.6-111.5 171.9 31.5 20.6 -3.6 52 52 A E H > S+ 0 0 95 -2,-0.2 4,-1.8 2,-0.2 5,-0.1 0.695 113.4 60.5 -78.9 -17.0 30.6 19.2 -0.2 53 53 A A H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 104.9 50.2 -69.7 -44.9 34.0 20.0 1.3 54 54 A E H > S+ 0 0 76 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.838 113.5 43.7 -59.3 -41.2 33.2 23.7 0.5 55 55 A M H < S+ 0 0 8 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.831 115.2 49.6 -69.2 -41.7 29.8 23.5 2.2 56 56 A K H < S+ 0 0 83 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.846 114.0 45.7 -62.7 -39.4 31.3 21.6 5.1 57 57 A A H < S+ 0 0 72 -4,-2.4 2,-0.5 -5,-0.1 -2,-0.2 0.482 90.2 107.1 -83.0 -14.1 34.0 24.2 5.3 58 58 A S X - 0 0 20 -4,-0.5 4,-1.1 1,-0.1 5,-0.1 -0.575 48.0-170.2 -80.5 120.8 31.6 27.1 5.0 59 59 A E H > S+ 0 0 138 -2,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.789 85.5 60.6 -77.1 -26.6 31.0 29.0 8.3 60 60 A D H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.768 103.6 51.7 -71.3 -27.1 28.1 31.0 6.9 61 61 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.876 106.1 51.7 -77.2 -38.2 26.2 27.7 6.3 62 62 A K H X S+ 0 0 72 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.929 111.8 51.0 -60.1 -40.6 26.7 26.5 9.8 63 63 A K H X S+ 0 0 137 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.894 109.6 46.7 -57.9 -53.7 25.3 30.0 10.7 64 64 A T H X S+ 0 0 14 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.874 107.4 59.0 -62.3 -34.9 22.2 29.6 8.4 65 65 A G H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.920 105.9 49.3 -60.4 -41.1 21.7 26.0 9.9 66 66 A T H X S+ 0 0 40 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.916 110.1 49.2 -66.2 -43.0 21.4 27.6 13.3 67 67 A V H X S+ 0 0 94 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.968 115.1 45.4 -59.3 -47.9 18.9 30.2 12.2 68 68 A V H X S+ 0 0 50 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.981 117.5 41.9 -59.4 -55.5 16.8 27.6 10.5 69 69 A L H X S+ 0 0 5 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.773 111.9 56.3 -68.9 -23.0 16.9 25.1 13.4 70 70 A T H X S+ 0 0 77 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.862 109.6 45.2 -68.4 -41.2 16.4 27.9 15.9 71 71 A A H X S+ 0 0 41 -4,-2.3 4,-1.9 -3,-0.2 3,-0.3 0.947 114.0 47.4 -64.7 -50.7 13.1 29.0 14.2 72 72 A L H X S+ 0 0 14 -4,-2.3 4,-3.5 1,-0.2 5,-0.2 0.881 110.0 53.7 -57.6 -45.6 11.7 25.5 13.7 73 73 A G H X S+ 0 0 3 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.878 105.9 53.5 -57.0 -38.5 12.5 24.7 17.4 74 74 A G H < S+ 0 0 32 -4,-1.2 4,-0.3 -3,-0.3 -2,-0.2 0.925 112.7 44.6 -62.3 -43.0 10.6 27.8 18.3 75 75 A I H >X S+ 0 0 5 -4,-1.9 3,-2.7 1,-0.2 4,-0.5 0.956 110.9 52.3 -70.2 -49.7 7.6 26.4 16.3 76 76 A L H >< S+ 0 0 4 -4,-3.5 3,-1.8 1,-0.3 -2,-0.2 0.876 101.7 60.1 -56.6 -36.4 7.8 22.9 17.7 77 77 A K T 3< S+ 0 0 98 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.674 94.9 64.9 -67.9 -13.3 7.8 24.0 21.3 78 78 A K T X4 S- 0 0 90 -3,-2.7 3,-1.3 -4,-0.3 -1,-0.3 0.590 99.5-138.5 -80.7 -16.2 4.4 25.6 20.6 79 79 A K T << S- 0 0 93 -3,-1.8 -3,-0.1 -4,-0.5 -2,-0.1 0.974 73.5 -39.8 54.7 59.2 3.0 22.2 20.1 80 80 A G T 3 S+ 0 0 25 -5,-0.3 2,-1.3 1,-0.1 -1,-0.3 0.274 117.1 109.5 77.3 -13.4 0.8 23.2 17.1 81 81 A H < + 0 0 159 -3,-1.3 3,-0.1 -6,-0.2 -1,-0.1 -0.411 45.5 116.1 -90.9 64.1 -0.2 26.6 18.7 82 82 A H > + 0 0 6 -2,-1.3 4,-2.2 1,-0.1 5,-0.3 -0.002 13.0 120.6-124.7 33.2 2.0 28.5 16.2 83 83 A E H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.941 83.6 51.8 -57.1 -46.8 -0.1 30.7 14.0 84 84 A A H 4 S+ 0 0 61 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.879 115.2 38.8 -56.5 -45.3 1.9 33.7 15.2 85 85 A E H > S+ 0 0 57 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.718 119.0 46.1 -80.3 -29.3 5.4 32.3 14.6 86 86 A L H X S+ 0 0 2 -4,-2.2 4,-3.2 2,-0.1 5,-0.3 0.858 97.7 66.1 -88.1 -38.4 4.6 30.5 11.3 87 87 A K H X S+ 0 0 110 -4,-2.1 4,-3.3 -5,-0.3 5,-0.3 0.948 103.0 48.2 -47.2 -57.9 2.7 33.2 9.3 88 88 A P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.877 115.4 48.4 -49.0 -42.0 5.7 35.5 9.1 89 89 A L H X S+ 0 0 43 -4,-0.6 4,-2.6 2,-0.2 5,-0.2 0.912 112.2 44.6 -59.5 -60.4 7.7 32.5 7.9 90 90 A A H X S+ 0 0 1 -4,-3.2 4,-2.2 2,-0.2 5,-0.3 0.908 113.3 53.4 -59.5 -38.8 5.2 31.3 5.3 91 91 A Q H X>S+ 0 0 86 -4,-3.3 4,-2.5 -5,-0.3 5,-0.7 0.957 111.1 45.3 -63.5 -48.4 4.8 34.9 4.0 92 92 A S H X>S+ 0 0 36 -4,-2.1 5,-2.5 -5,-0.3 4,-1.2 0.927 114.2 46.7 -65.1 -42.7 8.5 35.3 3.6 93 93 A H H <>S+ 0 0 63 -4,-2.6 6,-2.9 3,-0.2 5,-0.6 0.878 119.4 40.9 -69.6 -35.1 9.2 31.9 1.9 94 94 A A H <5S+ 0 0 4 -4,-2.2 -2,-0.2 4,-0.2 -3,-0.2 0.970 128.2 25.4 -73.4 -57.0 6.2 32.4 -0.5 95 95 A T H <5S+ 0 0 99 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.911 134.0 24.9 -80.3 -45.4 6.5 36.1 -1.4 96 96 A K T <> - 0 0 30 0, 0.0 3,-2.0 0, 0.0 4,-0.8 -0.187 20.0-121.6 -50.3 135.4 8.0 25.8 -3.5 101 101 A I H 3> S+ 0 0 62 1,-0.3 4,-1.2 2,-0.2 5,-0.1 0.740 111.2 70.2 -55.4 -24.4 6.3 23.6 -0.8 102 102 A K H 3> S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.844 94.4 54.1 -59.7 -38.2 8.1 20.6 -2.3 103 103 A Y H <> S+ 0 0 43 -3,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.804 103.9 54.2 -68.0 -32.4 11.3 22.0 -0.9 104 104 A L H X S+ 0 0 18 -4,-0.8 4,-0.9 2,-0.2 -1,-0.2 0.755 107.8 52.1 -71.9 -22.4 9.7 22.1 2.5 105 105 A E H X S+ 0 0 59 -4,-1.2 4,-2.4 2,-0.2 3,-0.3 0.935 107.4 50.8 -73.3 -48.9 9.0 18.4 1.9 106 106 A F H X S+ 0 0 23 -4,-2.2 4,-2.5 1,-0.3 -2,-0.2 0.927 111.6 46.7 -52.2 -49.9 12.7 17.8 1.0 107 107 A I H X S+ 0 0 26 -4,-2.2 4,-1.5 2,-0.2 -1,-0.3 0.769 108.6 56.3 -68.5 -27.2 14.0 19.5 4.2 108 108 A S H X S+ 0 0 4 -4,-0.9 4,-1.5 -3,-0.3 -1,-0.2 0.908 111.4 43.1 -67.7 -41.2 11.4 17.6 6.3 109 109 A D H X S+ 0 0 90 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.933 109.2 58.4 -67.2 -43.5 12.9 14.4 4.9 110 110 A A H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.755 103.4 52.5 -58.2 -34.0 16.5 15.7 5.4 111 111 A I H X S+ 0 0 11 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.900 110.2 47.6 -71.0 -44.2 15.9 16.2 9.2 112 112 A I H X S+ 0 0 22 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.918 113.8 49.4 -62.8 -42.1 14.7 12.6 9.5 113 113 A H H >X S+ 0 0 79 -4,-2.2 4,-1.9 1,-0.2 3,-0.9 0.963 111.9 46.3 -55.7 -62.9 17.7 11.5 7.5 114 114 A V H 3X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.3 5,-0.2 0.841 107.1 57.4 -47.2 -51.0 20.2 13.5 9.6 115 115 A L H 3X S+ 0 0 4 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.812 107.9 47.1 -54.3 -41.8 18.8 12.4 12.9 116 116 A H H << S+ 0 0 67 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.843 112.2 51.2 -73.1 -35.1 19.3 8.7 12.0 117 117 A S H < S+ 0 0 78 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.793 116.8 37.7 -68.8 -32.4 22.9 9.4 10.9 118 118 A K H < S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.728 129.8 31.7 -90.7 -24.3 23.9 11.2 14.0 119 119 A H S >< S- 0 0 31 -4,-1.5 3,-3.0 -5,-0.2 4,-0.2 -0.451 77.0-177.7-130.0 51.8 22.0 9.0 16.4 120 120 A P T 3 S+ 0 0 99 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.220 77.1 6.8 -51.9 122.6 22.0 5.5 14.8 121 121 A G T 3 S+ 0 0 82 2,-0.2 3,-0.1 -5,-0.1 -5,-0.1 0.565 117.4 74.8 84.5 -4.9 20.0 3.2 17.0 122 122 A D S < S+ 0 0 85 -3,-3.0 2,-0.5 -6,-0.1 -1,-0.1 0.103 70.4 87.9-131.2 30.8 18.7 5.9 19.4 123 123 A F S S- 0 0 16 -4,-0.2 -2,-0.2 -7,-0.1 -1,-0.1 -0.859 78.4-147.4-123.0 79.3 16.1 7.4 17.1 124 124 A G > - 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