==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 25-JUL-02 1H1X . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR S.ZUCCOTTI,M.BOLOGNESI . 154 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 81.8 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 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.2 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 0 A M 0 0 84 0, 0.0 2,-0.4 0, 0.0 140,-0.0 0.000 360.0 360.0 360.0 165.0 66.3 9.4 17.1 2 1 A V - 0 0 120 0, 0.0 2,-0.2 0, 0.0 79,-0.1 -0.969 360.0-143.4-147.0 126.0 63.5 11.6 18.4 3 2 A L - 0 0 12 -2,-0.4 2,-0.1 77,-0.1 128,-0.0 -0.520 24.8-122.1 -82.5 148.4 61.9 14.9 17.3 4 3 A S > - 0 0 59 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.481 27.2-109.4 -78.0 161.8 60.8 17.4 19.8 5 4 A E H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.894 121.5 55.9 -57.0 -39.7 57.2 18.6 19.9 6 5 A G H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.903 107.2 49.2 -61.0 -39.7 58.3 21.9 18.5 7 6 A E H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.944 109.7 51.7 -64.7 -42.8 59.9 20.1 15.5 8 7 A W H X S+ 0 0 15 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.892 106.4 54.4 -60.1 -39.7 56.7 18.1 15.0 9 8 A Q H X S+ 0 0 70 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.900 106.0 51.5 -66.2 -32.6 54.7 21.3 14.9 10 9 A L H X S+ 0 0 65 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.901 111.8 48.2 -65.2 -38.6 57.0 22.8 12.2 11 10 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.942 114.5 44.8 -62.8 -47.3 56.4 19.6 10.2 12 11 A L H X S+ 0 0 36 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.830 106.9 59.4 -75.3 -23.0 52.7 19.7 10.7 13 12 A H H X S+ 0 0 102 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.909 110.9 40.9 -74.1 -35.6 52.4 23.4 9.9 14 13 A V H >X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 3,-0.9 0.883 111.3 57.2 -74.3 -35.2 53.8 23.0 6.5 15 14 A W H 3X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.3 -2,-0.2 0.862 97.6 62.8 -62.9 -32.1 51.8 19.8 5.9 16 15 A A H 3< S+ 0 0 49 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.833 104.1 48.3 -59.9 -31.0 48.7 21.8 6.6 17 16 A K H X< S+ 0 0 92 -3,-0.9 3,-1.6 -4,-0.6 4,-0.4 0.887 106.2 55.6 -77.4 -38.6 49.6 23.8 3.5 18 17 A V H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.3 7,-0.3 0.908 101.0 61.9 -51.3 -42.5 50.2 20.7 1.4 19 18 A E T 3< S+ 0 0 93 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.569 82.5 76.4 -71.4 -7.2 46.7 19.6 2.3 20 19 A A T < S+ 0 0 92 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.820 125.1 0.3 -61.7 -30.4 45.2 22.7 0.6 21 20 A D S <> S+ 0 0 76 -3,-1.9 4,-2.0 -4,-0.4 -1,-0.2 -0.471 71.3 170.4-158.0 75.1 45.9 20.8 -2.6 22 21 A V H > S+ 0 0 34 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.894 78.9 58.0 -64.4 -34.5 47.4 17.4 -2.0 23 22 A A H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 107.3 45.8 -62.3 -45.0 47.0 16.3 -5.7 24 23 A G H > S+ 0 0 7 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 113.5 49.6 -66.2 -39.0 49.0 19.3 -7.1 25 24 A H H X S+ 0 0 3 -4,-2.0 4,-2.4 -7,-0.3 -1,-0.2 0.909 109.5 52.6 -64.6 -38.9 51.8 18.8 -4.5 26 25 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.896 108.3 50.1 -64.8 -41.0 51.9 15.1 -5.3 27 26 A Q H X S+ 0 0 34 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.945 111.5 48.1 -60.3 -47.1 52.4 15.8 -9.0 28 27 A D H X S+ 0 0 57 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.915 113.6 47.4 -63.3 -39.5 55.2 18.3 -8.3 29 28 A I H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.928 114.1 44.8 -69.1 -45.8 57.0 15.9 -6.0 30 29 A L H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.919 114.5 48.9 -64.4 -42.2 56.8 12.8 -8.3 31 30 A I H X S+ 0 0 7 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.920 111.3 50.5 -63.2 -44.5 57.8 14.9 -11.3 32 31 A R H X S+ 0 0 88 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.926 111.6 48.7 -58.5 -45.1 60.8 16.3 -9.4 33 32 A L H X S+ 0 0 8 -4,-2.4 4,-2.3 1,-0.2 7,-0.2 0.942 113.4 46.0 -57.4 -49.3 61.8 12.8 -8.3 34 33 A F H < S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.2 7,-0.2 0.804 116.3 44.9 -69.2 -32.0 61.6 11.4 -11.9 35 34 A K H < S+ 0 0 111 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.880 117.8 42.1 -75.7 -40.1 63.4 14.4 -13.4 36 35 A S H < S+ 0 0 41 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.807 133.3 20.2 -77.6 -32.0 66.2 14.5 -10.8 37 36 A H >< + 0 0 31 -4,-2.3 3,-2.5 -5,-0.3 4,-0.5 -0.630 67.9 179.1-139.2 77.2 66.7 10.7 -10.6 38 37 A P G >> S+ 0 0 76 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.762 75.4 72.2 -59.1 -23.3 65.3 9.1 -13.7 39 38 A E G >4 S+ 0 0 81 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.819 88.5 63.9 -61.5 -26.7 66.3 5.6 -12.6 40 39 A T G X4 S+ 0 0 4 -3,-2.5 3,-1.6 -7,-0.2 -1,-0.3 0.847 91.5 63.1 -66.5 -32.9 63.4 5.8 -10.0 41 40 A L G X4 S+ 0 0 14 -3,-1.1 3,-1.9 -4,-0.5 -1,-0.2 0.832 90.0 68.7 -61.6 -27.6 60.8 6.0 -12.7 42 41 A E G << S+ 0 0 114 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.705 88.1 66.0 -66.3 -15.7 61.8 2.5 -13.9 43 42 A K G < S+ 0 0 79 -3,-1.6 2,-0.9 -4,-0.4 -1,-0.3 0.636 86.5 79.9 -77.8 -13.7 60.4 1.1 -10.7 44 43 A F X> - 0 0 52 -3,-1.9 4,-2.3 -4,-0.3 3,-1.0 -0.773 56.5-174.4-100.7 99.8 56.9 2.1 -11.7 45 44 A D T 34 S+ 0 0 127 -2,-0.9 4,-0.2 1,-0.3 -1,-0.2 0.848 87.4 49.6 -58.1 -31.2 55.5 -0.4 -14.2 46 45 A R T 34 S+ 0 0 130 1,-0.2 -1,-0.3 -3,-0.1 16,-0.1 0.691 123.7 27.5 -78.8 -23.7 52.4 1.8 -14.6 47 46 A F T X4 S+ 0 0 3 -3,-1.0 3,-2.3 -6,-0.2 -2,-0.2 0.500 86.2 97.9-119.3 -8.7 54.3 5.0 -15.3 48 47 A K T 3< S+ 0 0 92 -4,-2.3 -3,-0.1 1,-0.3 -2,-0.1 0.661 78.1 65.1 -68.7 -11.8 57.7 4.2 -16.8 49 48 A H T 3 S+ 0 0 122 -4,-0.2 -1,-0.3 -8,-0.1 2,-0.2 0.632 73.0 111.8 -75.8 -15.9 56.5 4.9 -20.3 50 49 A L < - 0 0 16 -3,-2.3 3,-0.1 1,-0.2 -3,-0.0 -0.430 45.3-175.3 -67.8 129.6 55.9 8.6 -19.5 51 50 A K + 0 0 169 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.690 55.0 25.5-100.5 -26.7 58.5 10.5 -21.5 52 51 A T S > S- 0 0 61 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.928 76.0-107.7-138.5 164.1 58.1 14.2 -20.5 53 52 A E H > S+ 0 0 78 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.900 119.0 57.7 -60.7 -37.0 57.0 16.4 -17.7 54 53 A A H > S+ 0 0 72 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.931 107.0 46.6 -61.5 -42.2 53.9 17.3 -19.8 55 54 A E H > S+ 0 0 86 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.890 112.6 50.9 -65.3 -40.0 52.9 13.7 -20.1 56 55 A M H >< S+ 0 0 7 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.931 110.3 48.8 -61.0 -42.9 53.4 13.3 -16.3 57 56 A K H 3< S+ 0 0 110 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.809 111.5 50.2 -64.8 -32.9 51.3 16.3 -15.6 58 57 A A H 3< S+ 0 0 84 -4,-1.6 2,-0.8 -5,-0.2 -1,-0.3 0.517 84.1 107.1 -84.7 -6.1 48.5 15.1 -17.9 59 58 A S S+ 0 0 99 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.887 88.9 53.4 -62.9 -39.2 45.3 11.2 -14.2 61 60 A D H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 107.6 50.3 -65.2 -38.3 46.6 7.9 -12.8 62 61 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 110.0 51.0 -65.9 -39.6 49.8 9.5 -11.8 63 62 A K H X S+ 0 0 69 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.941 110.6 48.0 -61.7 -46.0 47.9 12.3 -10.0 64 63 A K H X S+ 0 0 99 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.880 111.0 52.3 -63.3 -37.2 45.7 9.8 -8.2 65 64 A H H X S+ 0 0 35 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.928 106.3 52.4 -62.2 -47.4 48.9 7.9 -7.2 66 65 A G H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.874 105.5 55.8 -59.4 -34.6 50.6 11.0 -5.8 67 66 A V H X S+ 0 0 44 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.929 108.6 47.4 -64.0 -39.9 47.5 11.6 -3.7 68 67 A R H X S+ 0 0 137 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.912 112.4 49.2 -65.8 -44.3 47.8 8.2 -2.1 69 68 A V H X S+ 0 0 44 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.949 115.2 42.3 -61.2 -50.3 51.6 8.6 -1.5 70 69 A L H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.838 113.1 52.8 -70.4 -31.2 51.2 12.0 0.2 71 70 A T H X S+ 0 0 83 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.915 111.1 47.6 -69.2 -38.4 48.1 10.9 2.2 72 71 A A H X S+ 0 0 41 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.939 114.4 46.5 -66.1 -42.7 50.0 7.9 3.5 73 72 A L H X S+ 0 0 15 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.921 110.8 52.6 -64.7 -43.4 53.1 10.0 4.4 74 73 A G H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.897 107.5 51.6 -59.9 -39.7 50.8 12.6 6.1 75 74 A A H X S+ 0 0 46 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.918 111.6 48.1 -64.5 -38.7 49.2 9.9 8.2 76 75 A I H ><>S+ 0 0 6 -4,-1.9 3,-1.0 1,-0.2 5,-0.6 0.953 111.4 48.9 -63.1 -50.2 52.7 8.8 9.3 77 76 A L H ><5S+ 0 0 2 -4,-3.0 3,-2.2 1,-0.3 -2,-0.2 0.895 105.1 59.1 -60.1 -38.6 53.8 12.4 10.1 78 77 A K H 3<5S+ 0 0 110 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.755 95.4 63.9 -65.3 -19.5 50.7 13.0 12.1 79 78 A K T X<5S- 0 0 83 -3,-1.0 3,-2.1 -4,-0.9 -1,-0.3 0.560 98.7-141.8 -75.6 -10.5 51.6 10.1 14.4 80 79 A K T < 5S- 0 0 72 -3,-2.2 -3,-0.1 -4,-0.3 -2,-0.1 0.883 74.9 -34.9 51.0 47.9 54.7 12.1 15.4 81 80 A G T 3 + 0 0 6 -2,-1.3 4,-2.6 1,-0.2 5,-0.2 0.098 17.9 120.6-116.3 23.2 54.0 5.1 13.2 84 83 A E H > S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.910 78.6 48.5 -56.3 -47.0 54.7 1.4 13.7 85 84 A A H 4 S+ 0 0 64 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.895 113.9 46.1 -65.2 -36.9 51.3 0.3 12.5 86 85 A E H > S+ 0 0 51 1,-0.2 4,-1.2 2,-0.1 -1,-0.2 0.854 111.2 52.7 -73.6 -36.0 51.5 2.5 9.4 87 86 A L H X S+ 0 0 4 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.792 94.1 71.3 -70.9 -28.5 55.0 1.5 8.5 88 87 A K H X S+ 0 0 127 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.952 106.3 32.9 -55.8 -58.3 54.5 -2.3 8.6 89 88 A P H > S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.891 119.1 54.1 -69.2 -35.8 52.4 -2.6 5.4 90 89 A L H X S+ 0 0 40 -4,-1.2 4,-2.7 1,-0.2 -2,-0.2 0.941 112.0 44.3 -62.0 -45.0 54.2 0.2 3.7 91 90 A A H X S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 5,-0.3 0.905 113.3 49.8 -68.2 -40.8 57.6 -1.4 4.3 92 91 A Q H X>S+ 0 0 108 -4,-2.3 4,-2.6 -5,-0.3 5,-0.7 0.946 114.4 45.4 -64.4 -42.9 56.5 -4.9 3.3 93 92 A D H X>S+ 0 0 75 -4,-2.6 5,-2.7 -5,-0.2 4,-1.4 0.946 116.5 44.8 -64.0 -47.4 55.0 -3.6 0.1 94 93 A H H <>S+ 0 0 55 -4,-2.7 6,-2.5 -5,-0.3 5,-0.5 0.865 119.1 42.0 -70.9 -28.1 58.1 -1.4 -0.7 95 94 A A H <5S+ 0 0 1 -4,-2.7 -2,-0.2 4,-0.2 -1,-0.2 0.948 130.0 20.5 -76.5 -50.6 60.6 -4.1 0.1 96 95 A T H <5S+ 0 0 83 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.805 131.5 33.2-103.4 -31.1 58.9 -7.2 -1.4 97 96 A K T <> - 0 0 22 0, 0.0 4,-1.5 0, 0.0 3,-1.2 -0.265 23.7-112.9 -70.2 158.6 66.1 0.8 -1.9 102 101 A I H 3> S+ 0 0 28 52,-2.3 4,-2.3 1,-0.3 5,-0.2 0.878 117.2 64.1 -56.4 -37.0 66.8 3.2 0.9 103 102 A K H 3> S+ 0 0 100 51,-0.5 4,-1.8 1,-0.2 -1,-0.3 0.849 102.3 49.2 -57.1 -37.6 68.8 5.3 -1.6 104 103 A Y H <> S+ 0 0 46 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.859 107.2 53.8 -75.1 -31.4 65.5 5.9 -3.6 105 104 A L H X S+ 0 0 16 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.859 107.2 53.0 -65.6 -32.2 63.6 6.8 -0.4 106 105 A E H X S+ 0 0 94 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.920 107.2 52.1 -63.5 -45.5 66.4 9.4 0.1 107 106 A F H X S+ 0 0 34 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.923 110.6 46.1 -60.6 -41.4 65.7 10.7 -3.4 108 107 A I H X S+ 0 0 30 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.896 109.6 55.2 -72.3 -29.0 62.0 11.1 -2.8 109 108 A S H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.903 108.1 49.4 -62.5 -44.6 62.8 12.8 0.6 110 109 A E H X S+ 0 0 98 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.888 110.1 50.7 -61.3 -39.8 64.9 15.3 -1.3 111 110 A A H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.896 109.4 50.6 -65.3 -40.6 62.1 15.9 -3.8 112 111 A I H X S+ 0 0 6 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.951 112.2 46.6 -59.7 -48.7 59.6 16.5 -1.0 113 112 A I H X S+ 0 0 24 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.916 112.0 52.0 -62.4 -40.1 62.0 19.0 0.6 114 113 A H H X S+ 0 0 74 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.936 112.1 44.5 -62.6 -46.0 62.6 20.7 -2.8 115 114 A V H X S+ 0 0 6 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.908 114.4 48.1 -67.4 -42.3 58.9 21.2 -3.5 116 115 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.905 111.1 51.4 -64.5 -38.8 58.1 22.4 -0.0 117 116 A H H < S+ 0 0 108 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.910 114.7 44.5 -62.7 -39.4 61.0 24.9 -0.2 118 117 A S H < S+ 0 0 82 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.933 124.0 31.5 -71.0 -45.1 59.7 26.2 -3.6 119 118 A R H < S+ 0 0 93 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.781 122.8 40.6 -85.0 -30.3 56.0 26.4 -2.7 120 119 A H >X + 0 0 31 -4,-2.6 3,-2.0 -5,-0.3 4,-0.7 -0.363 50.6 146.4-125.5 52.7 56.0 27.3 1.0 121 120 A P T 34 S+ 0 0 96 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.816 77.4 64.2 -58.1 -24.1 58.7 29.8 2.0 122 121 A G T 34 S+ 0 0 69 1,-0.2 3,-0.1 -3,-0.2 -2,-0.1 0.686 120.7 19.6 -71.0 -19.0 56.2 31.1 4.6 123 122 A N T <4 S+ 0 0 57 -3,-2.0 -1,-0.2 -7,-0.2 -109,-0.2 0.131 118.9 65.7-133.8 17.2 56.3 27.7 6.4 124 123 A F < + 0 0 4 -4,-0.7 -2,-0.1 -3,-0.4 -4,-0.1 -0.198 61.6 138.9-141.5 47.9 59.5 26.2 5.2 125 124 A G S > S- 0 0 42 -3,-0.1 4,-2.7 1,-0.0 5,-0.2 -0.021 75.0 -74.7 -70.9-169.0 62.3 28.4 6.4 126 125 A A H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.898 131.9 47.5 -64.8 -44.9 65.6 26.9 7.7 127 126 A D H > S+ 0 0 134 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 114.4 47.1 -63.3 -42.8 64.2 25.6 11.1 128 127 A A H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.898 111.9 49.9 -67.8 -37.8 61.1 24.1 9.4 129 128 A Q H X S+ 0 0 69 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.910 109.9 51.8 -66.1 -40.2 63.2 22.4 6.7 130 129 A G H X S+ 0 0 38 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.917 110.5 48.5 -61.1 -39.9 65.5 21.0 9.4 131 130 A A H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.918 112.2 47.8 -67.3 -42.2 62.5 19.6 11.2 132 131 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.915 110.4 52.4 -66.0 -39.4 61.1 18.0 8.0 133 132 A N H X S+ 0 0 55 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.936 110.0 48.9 -59.9 -42.7 64.5 16.6 7.2 134 133 A K H X S+ 0 0 58 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.898 111.5 49.8 -63.2 -42.6 64.6 15.0 10.8 135 134 A A H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.911 113.4 44.5 -62.4 -41.0 61.1 13.6 10.3 136 135 A L H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.865 111.7 53.4 -72.9 -33.5 61.9 12.1 6.9 137 136 A E H X S+ 0 0 77 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.909 109.5 49.3 -64.3 -40.1 65.3 10.7 8.3 138 137 A L H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.936 110.6 50.4 -63.7 -45.0 63.3 9.1 11.2 139 138 A F H X S+ 0 0 19 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.953 113.7 44.7 -58.5 -46.8 60.9 7.6 8.6 140 139 A R H X S+ 0 0 31 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.876 111.6 52.3 -68.6 -38.2 63.7 6.2 6.5 141 140 A K H X S+ 0 0 119 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.930 113.3 44.5 -62.1 -44.3 65.6 4.9 9.6 142 141 A D H X S+ 0 0 47 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.899 113.4 49.9 -71.4 -37.4 62.5 3.0 10.7 143 142 A I H X S+ 0 0 3 -4,-2.7 4,-3.2 -5,-0.3 -2,-0.2 0.935 109.6 52.4 -60.5 -43.6 61.8 1.7 7.2 144 143 A A H X S+ 0 0 37 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.896 108.7 50.1 -61.4 -38.5 65.4 0.5 6.9 145 144 A A H X S+ 0 0 49 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.902 112.6 46.8 -66.2 -40.5 65.0 -1.4 10.2 146 145 A K H X S+ 0 0 54 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.922 108.1 56.0 -69.1 -39.8 61.8 -3.0 9.0 147 146 A Y H X>S+ 0 0 2 -4,-3.2 5,-2.8 1,-0.2 4,-0.7 0.930 107.4 50.1 -52.4 -46.2 63.4 -3.9 5.6 148 147 A K H ><5S+ 0 0 175 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.926 110.0 49.5 -63.6 -41.6 66.1 -5.7 7.6 149 148 A E H 3<5S+ 0 0 135 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.856 111.3 50.6 -60.3 -38.3 63.5 -7.6 9.6 150 149 A L H 3<5S- 0 0 72 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.491 121.4-106.0 -80.7 -8.0 61.7 -8.5 6.3 151 150 A G T <<5S+ 0 0 70 -3,-1.0 2,-0.4 -4,-0.7 -3,-0.2 0.613 76.4 131.1 96.7 9.4 64.9 -9.8 4.7 152 151 A Y < - 0 0 53 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.842 46.7-156.6-109.8 125.7 65.5 -6.9 2.3 153 152 A Q 0 0 197 -2,-0.4 -1,-0.1 -3,-0.1 -5,-0.1 0.714 360.0 360.0 -65.2 -35.2 68.9 -5.3 2.0 154 153 A G 0 0 33 -7,-0.1 -52,-2.3 -59,-0.1 -51,-0.5 0.718 360.0 360.0 65.8 360.0 67.5 -2.1 0.7