==== 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 STORAGE/TRANSPORT 12-JAN-00 1DTM . COMPND 2 MOLECULE: RECOMBINANT SPERM WHALE MYOGLOBIN VARIANT H93G; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR D.BARRICK,F. W.DAHLQUIST . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 82.2 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 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 V 0 0 157 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 165.4 -7.7 16.8 11.4 2 2 A L - 0 0 14 77,-0.1 2,-0.1 132,-0.0 128,-0.0 -0.898 360.0-116.8-112.1 147.0 -3.8 17.2 11.9 3 3 A S > - 0 0 61 -2,-0.3 4,-2.8 1,-0.1 3,-0.2 -0.354 27.5-108.2 -75.6 163.4 -2.0 16.9 15.2 4 4 A E H > S+ 0 0 126 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.857 122.5 53.4 -54.4 -40.9 0.0 19.7 16.8 5 5 A G H > S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.827 108.0 49.0 -61.1 -43.2 3.1 17.8 15.9 6 6 A E H > S+ 0 0 44 1,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.870 108.2 54.0 -68.8 -38.8 2.1 17.6 12.3 7 7 A W H X S+ 0 0 10 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.928 105.4 52.2 -64.1 -37.0 1.3 21.2 12.2 8 8 A Q H X S+ 0 0 124 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.908 107.4 52.5 -68.0 -31.7 4.7 22.2 13.4 9 9 A L H X S+ 0 0 60 -4,-1.5 4,-2.0 2,-0.2 5,-0.2 0.867 109.0 50.9 -62.3 -43.3 6.4 20.1 10.8 10 10 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.950 115.3 41.3 -63.7 -44.1 4.3 21.9 8.1 11 11 A L H X S+ 0 0 44 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.803 107.1 63.1 -74.9 -22.0 5.2 25.3 9.4 12 12 A H H X S+ 0 0 92 -4,-1.7 4,-0.8 -5,-0.3 -1,-0.2 0.933 111.1 37.4 -69.5 -41.1 8.7 24.3 9.9 13 13 A V H >X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-0.5 0.861 108.4 64.3 -75.3 -31.3 9.1 23.7 6.3 14 14 A W H 3X S+ 0 0 9 -4,-2.3 4,-1.9 -5,-0.2 3,-0.4 0.928 93.4 63.8 -53.4 -35.6 6.9 26.6 5.5 15 15 A A H 3< S+ 0 0 54 -4,-1.8 4,-0.5 1,-0.3 -1,-0.2 0.835 102.9 48.6 -52.5 -41.5 9.6 28.9 7.1 16 16 A K H < S+ 0 0 3 -4,-1.5 3,-1.7 -3,-0.4 7,-0.3 0.939 103.6 61.3 -64.3 -40.2 9.8 28.5 1.6 18 18 A E G >< S+ 0 0 90 -4,-1.9 3,-0.6 1,-0.3 -2,-0.2 0.667 89.2 67.2 -58.5 -25.8 9.4 31.9 3.2 19 19 A A G 34 S+ 0 0 90 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.740 121.7 15.3 -64.4 -28.2 13.2 32.6 2.7 20 20 A D G S+ 0 0 36 -3,-0.6 4,-3.1 1,-0.2 5,-0.2 0.919 76.7 53.1 -61.8 -44.2 8.9 32.9 -2.0 22 22 A A H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.930 113.6 44.9 -58.4 -38.0 9.4 34.3 -5.4 23 23 A G H > S+ 0 0 10 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.835 114.9 43.5 -74.5 -45.3 11.7 31.4 -6.2 24 24 A H H X S+ 0 0 4 -4,-3.0 4,-2.6 -7,-0.3 5,-0.2 0.948 113.1 59.9 -61.8 -38.3 9.7 28.6 -4.7 25 25 A G H X S+ 0 0 1 -4,-3.1 4,-1.7 -5,-0.3 -2,-0.2 0.900 106.0 43.2 -53.1 -55.8 6.7 30.4 -6.4 26 26 A Q H X S+ 0 0 31 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.3 0.870 111.0 54.5 -64.8 -36.4 8.1 30.2 -9.9 27 27 A D H X S+ 0 0 50 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.940 107.2 51.9 -63.7 -42.3 9.2 26.5 -9.6 28 28 A I H X S+ 0 0 9 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.903 112.9 43.4 -53.3 -49.0 5.8 25.4 -8.5 29 29 A L H X S+ 0 0 5 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.842 111.7 53.0 -67.9 -37.6 4.1 27.0 -11.4 30 30 A I H X S+ 0 0 15 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.883 110.6 48.4 -67.5 -35.6 6.6 25.9 -13.9 31 31 A R H X S+ 0 0 104 -4,-2.6 4,-3.5 -5,-0.2 5,-0.3 0.964 111.4 49.8 -67.7 -46.6 6.2 22.4 -12.7 32 32 A L H X S+ 0 0 11 -4,-2.5 4,-2.7 2,-0.2 7,-0.2 0.960 113.6 45.2 -54.7 -56.2 2.4 22.6 -12.9 33 33 A F H < S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.3 7,-0.2 0.955 116.4 47.1 -54.7 -46.0 2.4 24.0 -16.4 34 34 A K H < S+ 0 0 87 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.882 116.8 40.3 -65.5 -46.5 4.9 21.5 -17.5 35 35 A S H < S+ 0 0 54 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 134.1 17.6 -80.7 -18.7 3.3 18.5 -16.0 36 36 A H >< + 0 0 44 -4,-2.7 3,-1.7 -5,-0.3 4,-0.3 -0.718 65.4 175.3-150.7 76.4 -0.4 19.4 -16.9 37 37 A P G >> + 0 0 74 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.600 69.9 79.1 -63.6 -17.7 -0.4 22.0 -19.5 38 38 A E G >4 S+ 0 0 87 1,-0.3 3,-0.5 2,-0.2 4,-0.1 0.720 87.0 62.7 -64.9 -25.6 -4.2 22.0 -19.8 39 39 A T G X4 S+ 0 0 4 -3,-1.7 3,-1.7 1,-0.2 4,-0.4 0.688 86.4 72.7 -64.6 -25.4 -4.1 24.1 -16.6 40 40 A L G X4 S+ 0 0 28 -3,-1.0 3,-3.0 -4,-0.3 6,-0.2 0.931 81.3 74.7 -60.4 -33.0 -2.2 26.8 -18.7 41 41 A E G << S+ 0 0 97 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.699 83.8 62.6 -52.8 -23.1 -5.5 27.5 -20.4 42 42 A K G < S+ 0 0 81 -3,-1.7 2,-0.6 1,-0.1 -1,-0.3 0.756 97.6 68.9 -78.3 -14.8 -6.9 29.3 -17.4 43 43 A F < + 0 0 51 -3,-3.0 4,-0.4 -4,-0.4 -1,-0.1 -0.893 51.6 171.5-108.1 114.5 -4.1 31.8 -17.9 44 44 A D S > S+ 0 0 137 -2,-0.6 4,-0.6 2,-0.2 -1,-0.2 0.827 84.9 56.2 -84.9 -36.0 -4.3 34.0 -21.0 45 45 A R T 4 S+ 0 0 134 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.834 114.1 39.5 -63.7 -31.8 -1.4 36.1 -19.8 46 46 A F T >4 S+ 0 0 2 -6,-0.2 3,-2.8 1,-0.1 -1,-0.2 0.550 90.1 94.9 -91.3 -17.0 0.8 33.0 -19.6 47 47 A K T 34 S+ 0 0 67 -4,-0.4 -2,-0.1 1,-0.3 -1,-0.1 0.905 82.0 54.3 -44.1 -47.6 -0.6 31.4 -22.8 48 48 A H T 3< S+ 0 0 125 -4,-0.6 2,-1.3 -3,-0.1 -1,-0.3 0.565 77.5 111.3 -69.4 -5.3 2.2 32.8 -24.8 49 49 A L < + 0 0 19 -3,-2.8 -1,-0.1 1,-0.2 6,-0.1 -0.552 36.3 171.5 -82.1 93.2 5.0 31.3 -22.7 50 50 A K + 0 0 184 -2,-1.3 2,-0.3 4,-0.0 -1,-0.2 0.680 57.0 29.8 -74.2 -25.6 6.7 28.7 -24.9 51 51 A T S > S- 0 0 71 1,-0.1 4,-3.4 0, 0.0 3,-0.2 -0.932 76.3-113.7-137.5 161.4 9.8 27.7 -22.8 52 52 A E H > S+ 0 0 113 -2,-0.3 4,-4.0 1,-0.3 5,-0.1 0.808 116.2 58.5 -60.0 -40.1 10.9 27.5 -19.3 53 53 A A H > S+ 0 0 65 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.869 110.0 41.5 -63.1 -41.4 13.3 30.2 -19.9 54 54 A E H >> S+ 0 0 98 -3,-0.2 4,-0.8 2,-0.2 3,-0.5 0.873 112.5 54.2 -78.5 -29.4 10.6 32.5 -20.9 55 55 A M H >< S+ 0 0 18 -4,-3.4 3,-1.5 1,-0.2 -2,-0.2 0.978 110.2 47.6 -60.4 -46.8 8.5 31.3 -18.2 56 56 A K H 3< S+ 0 0 112 -4,-4.0 -1,-0.2 1,-0.3 -2,-0.2 0.549 108.4 56.7 -58.2 -24.0 11.3 32.1 -15.7 57 57 A A H << S+ 0 0 86 -4,-0.8 -1,-0.3 -3,-0.5 2,-0.3 0.520 83.3 103.1 -89.9 -14.6 11.8 35.5 -17.3 58 58 A S S+ 0 0 68 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.789 92.6 58.8 -82.3 -29.2 7.5 39.1 -13.9 60 60 A D H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.918 106.4 43.5 -66.8 -46.2 4.0 38.3 -14.3 61 61 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.877 113.6 51.7 -65.1 -38.9 4.4 34.7 -13.6 62 62 A K H X S+ 0 0 46 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.922 111.8 47.5 -69.1 -38.2 6.8 35.3 -10.8 63 63 A K H X S+ 0 0 119 -4,-2.7 4,-3.4 2,-0.2 -2,-0.2 0.897 110.4 51.1 -62.0 -44.0 4.2 37.7 -9.2 64 64 A H H X S+ 0 0 42 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.952 107.9 55.1 -63.3 -43.5 1.5 35.2 -9.7 65 65 A G H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.885 109.8 45.0 -54.7 -48.0 3.8 32.8 -8.0 66 66 A V H X S+ 0 0 50 -4,-2.1 4,-2.0 1,-0.2 5,-0.3 0.940 110.0 54.3 -66.2 -45.0 4.2 35.1 -5.0 67 67 A T H X S+ 0 0 88 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.922 109.5 49.0 -53.6 -42.3 0.4 35.8 -4.8 68 68 A V H X S+ 0 0 42 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.959 112.7 46.1 -63.6 -49.8 -0.3 32.0 -4.7 69 69 A L H X S+ 0 0 5 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.849 109.4 52.0 -65.4 -37.0 2.2 31.2 -1.9 70 70 A T H X S+ 0 0 84 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.911 112.2 46.9 -65.9 -43.0 1.3 34.1 0.4 71 71 A A H X S+ 0 0 38 -4,-1.5 4,-2.3 -5,-0.3 5,-0.2 0.998 114.7 46.0 -62.8 -56.9 -2.4 33.1 0.3 72 72 A L H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.865 113.3 52.4 -49.7 -39.4 -1.6 29.4 0.9 73 73 A G H X S+ 0 0 3 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.923 105.3 51.3 -66.7 -45.4 0.7 30.5 3.7 74 74 A A H < S+ 0 0 52 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.959 110.4 52.1 -62.1 -35.0 -1.8 32.6 5.5 75 75 A I H >< S+ 0 0 5 -4,-2.3 3,-1.1 -5,-0.2 5,-0.5 0.940 108.5 49.0 -61.2 -48.4 -4.1 29.6 5.4 76 76 A L H >< S+ 0 0 3 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.837 101.9 60.0 -66.4 -34.3 -1.6 27.1 6.9 77 77 A K T 3< S+ 0 0 117 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.660 94.3 69.5 -69.7 -2.9 -0.6 29.3 9.8 78 78 A K T X S- 0 0 35 -3,-1.1 3,-2.8 -4,-0.3 -1,-0.3 0.571 97.5-143.9 -87.2 -6.5 -4.2 29.1 10.7 79 79 A K T < S- 0 0 41 -3,-1.8 -3,-0.1 1,-0.3 -77,-0.1 0.867 72.1 -36.5 43.5 54.8 -3.8 25.5 11.5 80 80 A G T 3 S+ 0 0 22 -5,-0.5 2,-0.6 1,-0.1 -1,-0.3 0.269 119.3 103.6 88.7 -10.6 -7.0 24.3 10.3 81 81 A H < + 0 0 161 -3,-2.8 3,-0.2 1,-0.2 4,-0.1 -0.218 45.4 117.9 -99.4 57.8 -8.8 27.4 11.4 82 82 A H >> + 0 0 6 -2,-0.6 4,-4.0 1,-0.1 3,-0.8 0.206 17.7 117.6-110.6 13.1 -9.1 28.9 7.9 83 83 A E H 3> S+ 0 0 72 1,-0.3 4,-3.2 2,-0.2 -1,-0.1 0.924 84.0 50.0 -45.3 -53.3 -12.8 29.4 6.8 84 84 A A H 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.895 117.9 38.6 -52.7 -41.9 -12.5 33.1 6.6 85 85 A E H <> S+ 0 0 81 -3,-0.8 4,-0.6 1,-0.2 -2,-0.2 0.873 119.8 48.8 -77.4 -37.1 -9.3 32.9 4.5 86 86 A L H >X S+ 0 0 5 -4,-4.0 4,-1.9 1,-0.2 3,-0.5 0.845 95.9 70.0 -71.2 -43.1 -10.6 30.0 2.6 87 87 A K H 3X S+ 0 0 126 -4,-3.2 4,-3.0 -5,-0.3 3,-0.4 0.905 94.1 52.8 -46.7 -58.1 -14.0 31.4 1.6 88 88 A P H 3> S+ 0 0 80 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.876 110.8 49.1 -51.9 -36.4 -12.9 34.1 -0.9 89 89 A L H S+ 0 0 34 -4,-2.6 4,-1.8 -5,-0.3 5,-1.7 0.873 114.9 48.8 -62.6 -32.6 -13.7 32.9 -6.9 93 93 A G H <5S+ 0 0 3 -4,-2.0 6,-1.1 -5,-0.3 5,-0.4 0.846 115.6 43.3 -79.4 -20.3 -13.0 29.4 -8.0 94 94 A A H <5S+ 0 0 13 -4,-2.8 -1,-0.2 4,-0.2 -2,-0.2 0.731 129.6 25.3 -86.8 -25.1 -16.6 28.5 -8.1 95 95 A T H <5S+ 0 0 92 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.800 130.7 19.1-107.5 -42.6 -17.7 31.7 -9.8 96 96 A K T <5S+ 0 0 175 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.898 131.3 25.3 -92.1 -69.3 -14.9 33.5 -11.8 97 97 A H S > - 0 0 29 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.285 18.8-120.9 -72.6 150.1 -11.7 22.0 -10.8 101 101 A I H 3> S+ 0 0 26 1,-0.3 4,-1.4 2,-0.2 5,-0.2 0.794 115.6 64.5 -54.4 -28.2 -10.6 20.2 -7.7 102 102 A K H >> S+ 0 0 100 2,-0.2 4,-1.6 1,-0.2 3,-0.7 0.912 97.8 52.7 -62.6 -47.1 -8.5 18.2 -10.1 103 103 A Y H <> S+ 0 0 54 -3,-0.9 4,-2.1 1,-0.3 -1,-0.2 0.901 107.2 53.4 -59.0 -39.6 -6.5 21.3 -10.9 104 104 A L H 3X S+ 0 0 31 -4,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.839 105.5 51.5 -66.1 -29.4 -6.0 21.8 -7.2 105 105 A E H X + 0 0 30 -4,-1.9 3,-2.9 -5,-0.4 4,-0.9 -0.020 63.9 151.3-128.0 45.6 14.5 20.9 1.0 120 120 A P G >4 S+ 0 0 80 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.837 75.5 49.4 -37.0 -58.6 15.4 17.2 1.2 121 121 A G G 34 S+ 0 0 74 1,-0.2 3,-0.1 -3,-0.1 -5,-0.1 0.551 116.4 39.2 -73.5 0.2 16.8 17.2 4.6 122 122 A D G <4 S+ 0 0 64 -3,-2.9 -1,-0.2 1,-0.1 2,-0.1 0.325 108.7 69.9-118.7 0.8 13.8 19.0 6.3 123 123 A F << + 0 0 0 -3,-1.1 -1,-0.1 -4,-0.9 -2,-0.1 -0.488 64.6 147.0-124.6 59.7 11.3 17.1 4.1 124 124 A G > - 0 0 30 -3,-0.1 4,-3.0 -2,-0.1 5,-0.3 0.042 66.5 -80.5 -81.5-177.2 11.3 13.5 5.2 125 125 A A H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.879 128.6 51.9 -62.4 -36.2 8.4 11.2 5.2 126 126 A D H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.966 116.3 40.8 -64.5 -51.5 6.9 12.4 8.4 127 127 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.853 115.8 49.4 -64.4 -38.0 7.0 16.0 7.1 128 128 A Q H X S+ 0 0 70 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.905 109.8 51.3 -69.6 -38.6 5.9 15.1 3.7 129 129 A G H X S+ 0 0 37 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.900 112.0 49.7 -66.1 -37.7 3.1 13.0 5.1 130 130 A A H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.837 108.5 49.5 -67.4 -40.1 2.2 16.1 7.2 131 131 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.869 108.0 56.7 -71.4 -29.2 2.3 18.4 4.3 132 132 A N H X S+ 0 0 68 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.924 107.3 48.2 -60.2 -44.9 0.1 16.0 2.3 133 133 A K H X S+ 0 0 87 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.883 109.9 50.5 -64.2 -43.9 -2.6 16.1 4.9 134 134 A A H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.896 110.5 48.5 -67.9 -35.8 -2.7 19.7 5.2 135 135 A L H X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.815 111.5 52.5 -71.6 -25.6 -3.0 20.2 1.5 136 136 A E H X S+ 0 0 80 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.917 106.5 51.4 -72.2 -42.8 -5.7 17.6 1.6 137 137 A L H X S+ 0 0 38 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.922 111.5 50.0 -60.3 -47.0 -7.6 19.6 4.4 138 138 A F H X S+ 0 0 24 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.950 112.5 44.3 -58.5 -53.5 -7.3 22.7 2.2 139 139 A R H X S+ 0 0 29 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.885 113.2 52.4 -61.6 -36.9 -8.7 21.0 -1.0 140 140 A K H X S+ 0 0 135 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.902 110.6 46.2 -63.8 -42.4 -11.5 19.3 1.0 141 141 A D H X S+ 0 0 57 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.893 113.7 49.7 -67.7 -44.6 -12.7 22.5 2.6 142 142 A I H >X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.3 3,-0.7 0.937 106.1 56.8 -57.7 -52.4 -12.5 24.2 -0.8 143 143 A A H 3X S+ 0 0 22 -4,-2.4 4,-1.3 1,-0.3 9,-0.2 0.844 109.2 45.1 -53.4 -40.0 -14.5 21.3 -2.4 144 144 A A H 3X S+ 0 0 56 -4,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.717 108.2 54.7 -77.4 -26.1 -17.5 21.8 -0.1 145 145 A K H S+ 0 0 5 -4,-2.3 5,-3.5 2,-0.2 3,-0.3 0.895 105.7 47.8 -59.6 -46.5 -17.8 24.9 -3.9 147 147 A K H ><5S+ 0 0 118 -4,-1.3 3,-3.6 5,-0.3 -1,-0.2 0.971 107.5 57.3 -60.9 -50.6 -20.9 22.7 -3.6 148 148 A E H 3<5S+ 0 0 144 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.754 108.4 47.3 -51.8 -25.3 -22.5 25.2 -1.3 149 149 A L T 3<5S- 0 0 64 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.299 125.0-104.6 -98.6 4.7 -22.1 27.7 -4.1 150 150 A G T < 5S+ 0 0 68 -3,-3.6 -3,-0.2 -5,-0.1 -2,-0.2 0.715 94.9 97.2 85.2 19.6 -23.5 25.4 -6.6 151 151 A Y < 0 0 59 -5,-3.5 -4,-0.3 -6,-0.2 -5,-0.1 0.902 360.0 360.0-106.7 -50.7 -20.2 24.4 -8.4 152 152 A Q 0 0 89 -9,-0.2 -5,-0.3 -52,-0.0 -6,-0.1 0.131 360.0 360.0 152.2 360.0 -18.8 21.0 -7.0