==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 06-AUG-09 3A5G . COMPND 2 MOLECULE: HEMOGLOBIN V; . SOURCE 2 ORGANISM_SCIENTIFIC: TOKUNAGAYUSURIKA AKAMUSI; . AUTHOR T.KUWADA,T.HASEGAWA,T.TAKAGI,F.SHISHIKURA . 152 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 77.0 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 . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0 0 0 0 0 0 1 0 0 3 0 0 0 1 0 0 1 0 0 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 A 0 0 91 0, 0.0 2,-0.5 0, 0.0 137,-0.1 0.000 360.0 360.0 360.0 162.2 9.3 44.0 3.0 2 2 A F - 0 0 47 136,-0.1 2,-0.5 134,-0.0 133,-0.1 -0.645 360.0-170.9 -66.1 129.9 12.7 44.0 1.6 3 3 A V - 0 0 81 -2,-0.5 132,-0.1 128,-0.3 131,-0.1 -0.966 19.7-127.9-127.7 114.3 14.7 46.8 3.3 4 4 A G - 0 0 42 -2,-0.5 2,-0.3 1,-0.1 78,-0.1 -0.167 23.5-125.1 -57.2 151.0 18.1 47.7 1.9 5 5 A L - 0 0 30 76,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.694 18.7-116.4 -95.8 153.2 21.0 47.9 4.3 6 6 A S > - 0 0 47 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.302 34.9-100.2 -78.4 170.1 23.4 50.8 4.8 7 7 A D H > S+ 0 0 132 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.912 125.8 44.9 -55.3 -49.3 27.2 50.6 4.0 8 8 A S H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 111.3 53.7 -64.0 -40.3 28.1 50.1 7.7 9 9 A E H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.900 106.7 51.4 -64.1 -44.2 25.2 47.5 8.1 10 10 A E H X S+ 0 0 45 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.930 112.7 46.8 -53.4 -45.3 26.5 45.5 5.1 11 11 A K H X S+ 0 0 79 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.888 109.4 53.6 -66.2 -36.6 29.9 45.5 6.8 12 12 A L H X S+ 0 0 34 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.912 106.8 52.0 -64.7 -45.7 28.5 44.6 10.1 13 13 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.928 109.1 49.8 -54.3 -51.1 26.7 41.5 8.6 14 14 A R H X S+ 0 0 90 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.933 114.7 44.8 -54.4 -48.0 30.0 40.3 7.0 15 15 A D H < S+ 0 0 76 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.865 109.4 55.2 -66.8 -39.4 31.8 40.7 10.4 16 16 A A H < S+ 0 0 9 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.892 115.8 38.8 -54.7 -41.8 29.0 39.0 12.3 17 17 A W H >X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 3,-0.9 0.612 88.7 96.4 -86.6 -16.6 29.2 35.9 10.1 18 18 A A H 3X S+ 0 0 50 -4,-1.1 4,-2.0 1,-0.3 -1,-0.2 0.859 81.4 51.0 -55.1 -43.5 33.0 35.8 9.7 19 19 A P H 34 S+ 0 0 95 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.909 116.4 43.0 -57.7 -38.3 33.6 33.2 12.5 20 20 A I H X4 S+ 0 0 10 -3,-0.9 3,-1.2 -4,-0.3 7,-0.2 0.888 108.7 57.2 -72.3 -42.1 31.0 30.9 11.0 21 21 A H H >< S+ 0 0 97 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.878 107.5 50.5 -54.4 -37.7 32.2 31.6 7.4 22 22 A G T 3< S+ 0 0 70 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.551 125.0 26.7 -81.3 -8.5 35.7 30.3 8.6 23 23 A D T <> S+ 0 0 92 -3,-1.2 4,-2.4 -4,-0.3 5,-0.3 -0.372 77.9 153.3-144.8 62.5 34.2 27.1 10.1 24 24 A L H <> S+ 0 0 36 -3,-0.7 4,-2.5 1,-0.2 5,-0.1 0.943 72.6 39.0 -67.3 -55.1 31.0 26.6 8.0 25 25 A Q H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.891 117.6 49.5 -61.1 -45.5 30.5 22.8 8.3 26 26 A G H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.928 114.1 44.4 -61.0 -47.6 31.5 22.6 12.0 27 27 A T H X S+ 0 0 25 -4,-2.4 4,-2.9 -7,-0.2 5,-0.3 0.929 112.4 54.1 -59.4 -46.3 29.2 25.4 13.0 28 28 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.3 5,-0.3 0.914 107.0 50.7 -55.7 -51.2 26.4 23.9 10.8 29 29 A N H X S+ 0 0 37 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.891 114.1 43.7 -54.2 -46.8 26.7 20.5 12.5 30 30 A T H X S+ 0 0 83 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.926 116.5 45.3 -67.4 -48.2 26.5 22.0 16.0 31 31 A V H X S+ 0 0 4 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.914 112.9 50.2 -64.8 -44.9 23.6 24.5 15.2 32 32 A F H X S+ 0 0 3 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.905 112.2 48.4 -61.8 -38.2 21.6 21.9 13.4 33 33 A Y H X S+ 0 0 47 -4,-1.6 4,-2.2 -5,-0.3 5,-0.2 0.957 111.7 48.8 -63.9 -47.3 21.9 19.4 16.3 34 34 A N H X S+ 0 0 72 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.881 111.3 51.5 -62.9 -37.4 20.9 22.1 18.8 35 35 A Y H X S+ 0 0 12 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.943 112.5 43.5 -63.6 -52.0 17.9 23.0 16.6 36 36 A L H < S+ 0 0 1 -4,-2.5 7,-0.2 2,-0.2 -2,-0.2 0.801 115.7 50.1 -64.4 -28.6 16.7 19.3 16.4 37 37 A K H < S+ 0 0 132 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.907 117.2 38.3 -76.3 -43.4 17.3 18.8 20.1 38 38 A K H < S+ 0 0 123 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.834 130.6 30.8 -78.6 -30.5 15.4 22.0 21.2 39 39 A Y S >< S+ 0 0 60 -4,-2.7 3,-1.7 -5,-0.2 -1,-0.3 -0.607 71.6 170.6-128.5 70.3 12.7 21.5 18.6 40 40 A P G > + 0 0 89 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.703 64.9 75.4 -63.5 -22.0 12.4 17.8 18.1 41 41 A S G > S+ 0 0 81 1,-0.2 3,-0.7 2,-0.1 4,-0.2 0.808 88.8 63.8 -56.2 -28.9 9.2 17.8 16.0 42 42 A N G X S+ 0 0 3 -3,-1.7 3,-1.5 1,-0.2 4,-0.4 0.716 80.8 76.8 -70.6 -22.1 11.3 19.0 13.0 43 43 A Q G X S+ 0 0 18 -3,-1.4 3,-1.6 1,-0.3 6,-0.3 0.889 89.4 58.8 -57.1 -37.0 13.4 15.8 12.8 44 44 A D G < S+ 0 0 84 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.676 89.2 72.2 -65.6 -18.1 10.5 14.0 11.1 45 45 A K G < S+ 0 0 75 -3,-1.5 2,-0.7 -4,-0.2 -1,-0.3 0.687 87.6 70.9 -71.2 -15.4 10.5 16.5 8.3 46 46 A F S X> S- 0 0 42 -3,-1.6 3,-1.8 -4,-0.4 4,-1.8 -0.880 71.2-160.4-105.4 102.5 13.8 15.0 7.0 47 47 A E T 34 S+ 0 0 143 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.0 0.819 91.1 55.8 -54.0 -35.1 12.9 11.6 5.6 48 48 A T T 34 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 15,-0.1 0.738 115.9 37.2 -69.9 -21.7 16.6 10.5 5.9 49 49 A L T X4 S+ 0 0 0 -3,-1.8 3,-1.4 -6,-0.3 -2,-0.2 0.659 90.8 119.0 -99.4 -18.6 16.6 11.3 9.6 50 50 A K T 3< S+ 0 0 94 -4,-1.8 -6,-0.1 1,-0.2 -3,-0.0 -0.192 73.5 15.2 -64.0 132.7 13.1 10.1 10.5 51 51 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.2 0, 0.0 -4,-0.0 0.444 101.6 100.9 88.0 4.1 12.5 7.3 13.0 52 52 A H S < S- 0 0 92 -3,-1.4 -1,-0.3 2,-0.0 5,-0.1 -0.920 81.2 -98.9-115.3 149.3 15.9 7.3 14.6 53 53 A P >> - 0 0 78 0, 0.0 4,-1.1 0, 0.0 3,-0.9 -0.348 33.9-122.8 -58.2 140.1 17.1 8.9 17.9 54 54 A L H >> S+ 0 0 24 1,-0.3 4,-1.9 2,-0.2 3,-0.7 0.880 112.9 54.7 -54.3 -42.5 18.8 12.2 17.2 55 55 A D H 34 S+ 0 0 87 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.770 105.4 55.2 -67.1 -23.7 22.1 11.0 18.9 56 56 A E H <4 S+ 0 0 130 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.729 116.2 35.3 -71.3 -31.3 22.1 8.0 16.5 57 57 A V H X< S+ 0 0 7 -4,-1.1 3,-2.1 -3,-0.7 6,-0.5 0.692 94.1 85.1 -98.2 -19.5 21.9 10.3 13.4 58 58 A K T 3< S+ 0 0 65 -4,-1.9 -3,-0.1 1,-0.3 -1,-0.1 0.767 93.1 46.3 -59.1 -29.9 24.1 13.3 14.5 59 59 A D T 3 S+ 0 0 113 -4,-0.4 -1,-0.3 4,-0.1 2,-0.1 0.391 95.0 108.5 -93.0 3.8 27.4 11.7 13.5 60 60 A T S <> S- 0 0 54 -3,-2.1 4,-2.0 1,-0.1 5,-0.2 -0.421 76.4-122.8 -83.9 154.5 26.1 10.5 10.0 61 61 A A H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.897 112.1 55.0 -55.0 -43.1 26.8 11.8 6.5 62 62 A N H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 107.2 48.3 -61.9 -44.8 23.2 12.5 5.9 63 63 A F H > S+ 0 0 2 -6,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.909 113.8 47.6 -56.1 -46.5 22.8 14.7 9.0 64 64 A K H X S+ 0 0 76 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.842 108.5 54.4 -68.8 -35.5 25.9 16.7 8.1 65 65 A L H X S+ 0 0 101 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.926 111.2 45.7 -56.8 -50.6 24.8 17.1 4.4 66 66 A I H X S+ 0 0 1 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.935 115.1 46.3 -59.9 -52.1 21.5 18.6 5.7 67 67 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.2 0.937 114.6 48.4 -56.1 -47.9 23.3 20.9 8.2 68 68 A G H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.880 106.2 54.7 -65.8 -37.6 25.9 22.0 5.6 69 69 A R H X S+ 0 0 127 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.870 108.0 50.6 -68.1 -34.8 23.4 22.8 2.9 70 70 A I H X S+ 0 0 32 -4,-1.5 4,-1.8 -3,-0.2 -1,-0.2 0.960 113.7 45.0 -59.6 -54.3 21.5 25.2 5.2 71 71 A F H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.791 106.8 59.6 -65.0 -32.1 24.7 27.0 6.1 72 72 A T H X S+ 0 0 61 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.926 104.9 50.0 -61.0 -43.5 25.8 27.1 2.5 73 73 A I H X S+ 0 0 38 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.938 112.2 46.1 -58.3 -50.0 22.7 29.1 1.6 74 74 A F H X S+ 0 0 11 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.907 111.1 53.4 -61.6 -40.6 23.3 31.6 4.5 75 75 A D H X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.930 110.9 46.6 -56.2 -44.4 27.0 31.9 3.5 76 76 A N H X S+ 0 0 55 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.839 110.1 52.7 -68.5 -35.6 25.9 32.7 -0.1 77 77 A C H < S+ 0 0 0 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.916 109.8 49.3 -62.9 -42.5 23.3 35.3 1.2 78 78 A V H >< S+ 0 0 12 -4,-2.6 3,-1.7 1,-0.2 4,-0.3 0.934 107.9 54.7 -63.3 -44.2 26.1 36.9 3.2 79 79 A K H 3< S+ 0 0 135 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.828 113.1 43.6 -50.7 -34.9 28.2 36.9 -0.0 80 80 A N T >< S+ 0 0 40 -4,-1.3 3,-2.3 -3,-0.3 7,-0.5 0.165 72.8 116.3-103.1 15.0 25.5 38.8 -1.8 81 81 A V T < S+ 0 0 11 -3,-1.7 -76,-0.3 1,-0.3 -1,-0.2 0.848 80.6 50.6 -60.6 -28.0 24.5 41.4 0.9 82 82 A G T 3 S+ 0 0 49 -3,-0.3 2,-0.4 -4,-0.3 -1,-0.3 0.423 106.2 62.3 -85.0 12.1 25.6 44.2 -1.5 83 83 A N <> - 0 0 81 -3,-2.3 4,-2.9 1,-0.1 5,-0.2 -0.820 60.0-173.2-143.1 90.6 23.5 42.8 -4.4 84 84 A D H > S+ 0 0 76 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.896 89.3 48.5 -56.6 -48.5 19.7 42.6 -3.8 85 85 A K H > S+ 0 0 171 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 115.1 45.5 -56.6 -46.0 19.0 40.8 -7.0 86 86 A G H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.908 112.8 49.6 -67.3 -43.0 21.8 38.2 -6.3 87 87 A F H X S+ 0 0 5 -4,-2.9 4,-1.5 -7,-0.5 -2,-0.2 0.924 113.2 48.0 -56.5 -49.0 20.7 37.8 -2.6 88 88 A Q H X S+ 0 0 31 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.864 109.2 53.1 -63.5 -38.9 17.1 37.2 -3.8 89 89 A K H X S+ 0 0 78 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.864 104.2 56.1 -63.1 -41.5 18.2 34.7 -6.5 90 90 A V H X S+ 0 0 25 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.931 114.7 39.4 -55.3 -47.3 20.1 32.6 -3.8 91 91 A I H >X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 3,-0.7 0.919 111.4 56.2 -69.4 -47.9 16.9 32.3 -1.8 92 92 A A H >X S+ 0 0 6 -4,-2.9 4,-0.6 1,-0.3 3,-0.6 0.915 106.8 52.2 -53.1 -42.6 14.6 31.9 -4.8 93 93 A D H 3< S+ 0 0 99 -4,-2.5 -1,-0.3 1,-0.2 3,-0.2 0.805 112.8 41.8 -67.2 -31.3 16.6 28.9 -5.9 94 94 A M H << S+ 0 0 33 -4,-1.0 4,-0.4 -3,-0.7 -1,-0.2 0.580 97.2 80.6 -89.8 -9.3 16.5 27.1 -2.6 95 95 A S H XX S+ 0 0 6 -4,-1.4 4,-1.9 -3,-0.6 3,-1.2 0.844 72.7 77.7 -65.6 -34.3 12.8 27.9 -2.0 96 96 A G T 3< S+ 0 0 45 -4,-0.6 3,-0.2 1,-0.3 -1,-0.2 0.828 91.2 47.3 -45.8 -57.6 11.4 25.1 -4.3 97 97 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.737 114.4 50.4 -58.8 -25.0 11.8 21.9 -2.0 98 98 A H T X4 S+ 0 0 54 -3,-1.2 3,-2.0 -4,-0.4 5,-0.3 0.793 85.7 100.6 -83.1 -35.2 10.2 23.9 0.9 99 99 A V T 3< S- 0 0 58 -4,-1.9 45,-0.1 1,-0.3 46,-0.1 -0.327 102.2 -0.7 -48.2 129.5 7.2 25.1 -1.2 100 100 A A T 3 S+ 0 0 104 44,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.570 96.4 126.0 51.6 15.5 4.3 22.8 -0.2 101 101 A R S < S- 0 0 140 -3,-2.0 2,-2.4 2,-0.1 -1,-0.2 -0.827 77.6-110.3 -83.4 145.7 6.3 20.8 2.3 102 102 A P S S+ 0 0 108 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.423 70.4 137.7 -81.0 66.0 4.3 21.0 5.5 103 103 A I - 0 0 33 -2,-2.4 -2,-0.1 -5,-0.3 2,-0.1 -0.973 45.3-137.0-115.8 127.1 6.9 23.1 7.4 104 104 A T > - 0 0 85 -2,-0.5 4,-1.6 1,-0.1 5,-0.2 -0.353 20.4-119.4 -81.1 157.0 5.5 26.0 9.4 105 105 A H H > S+ 0 0 82 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.872 117.7 64.3 -58.1 -35.2 6.8 29.5 9.7 106 106 A G H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.945 100.2 49.7 -50.8 -51.7 7.2 28.5 13.3 107 107 A S H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 113.1 44.6 -55.7 -45.8 9.8 25.9 12.3 108 108 A Y H X S+ 0 0 23 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.901 113.6 50.6 -68.7 -42.5 11.9 28.3 10.1 109 109 A N H X S+ 0 0 72 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.872 106.9 54.3 -63.5 -35.5 11.7 31.0 12.8 110 110 A D H X S+ 0 0 53 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.918 109.0 49.3 -66.4 -41.2 12.9 28.6 15.5 111 111 A L H X S+ 0 0 21 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.928 107.9 53.1 -59.7 -48.2 15.9 27.8 13.3 112 112 A R H X S+ 0 0 44 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.894 109.2 50.8 -50.0 -46.2 16.6 31.5 12.8 113 113 A G H X S+ 0 0 27 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.873 108.5 49.9 -62.8 -42.5 16.6 31.9 16.6 114 114 A V H X S+ 0 0 12 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.921 112.3 48.8 -64.6 -40.1 19.1 29.0 17.2 115 115 A I H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.947 113.0 47.1 -61.7 -48.2 21.4 30.5 14.6 116 116 A Y H >X S+ 0 0 64 -4,-2.6 3,-1.3 1,-0.2 4,-0.7 0.932 110.9 51.1 -60.4 -46.4 21.1 34.0 16.3 117 117 A D H >< S+ 0 0 93 -4,-3.0 3,-0.8 1,-0.3 -1,-0.2 0.869 106.6 55.3 -62.0 -36.4 21.7 32.5 19.7 118 118 A S H 3< S+ 0 0 40 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.664 101.8 59.1 -68.7 -19.4 24.9 30.7 18.5 119 119 A M H << S- 0 0 23 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.667 83.7-154.6 -88.1 -17.6 26.4 34.0 17.2 120 120 A H << - 0 0 162 -3,-0.8 2,-0.1 -4,-0.7 -3,-0.1 0.864 28.1-177.1 43.1 48.7 26.4 35.8 20.5 121 121 A L - 0 0 38 -5,-0.5 -1,-0.1 1,-0.1 -2,-0.0 -0.437 27.0-121.0 -74.3 147.4 26.3 39.2 18.7 122 122 A D > - 0 0 92 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.281 41.2 -97.2 -72.5 174.5 26.4 42.6 20.4 123 123 A S H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.795 121.4 53.9 -72.9 -28.3 23.3 44.8 19.7 124 124 A T H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.957 116.1 37.3 -66.0 -52.0 24.9 46.7 16.8 125 125 A H H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.873 115.4 57.6 -64.8 -39.7 26.0 43.6 14.9 126 126 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.880 104.5 50.2 -57.2 -46.9 22.7 42.0 15.9 127 127 A A H X S+ 0 0 58 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.930 112.5 45.7 -59.8 -44.1 20.5 44.7 14.4 128 128 A A H X S+ 0 0 1 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.908 114.0 50.4 -65.2 -44.2 22.4 44.6 11.0 129 129 A W H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.907 109.3 50.9 -57.0 -46.7 22.1 40.8 11.1 130 130 A N H X S+ 0 0 46 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.807 106.8 54.2 -64.7 -32.0 18.4 41.0 11.8 131 131 A K H X S+ 0 0 57 -4,-1.8 4,-1.9 2,-0.2 -128,-0.3 0.921 111.4 45.1 -67.1 -41.5 17.9 43.4 8.9 132 132 A M H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.932 115.6 46.5 -66.3 -44.5 19.5 40.8 6.6 133 133 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.853 109.3 54.6 -67.8 -35.3 17.5 37.9 8.1 134 134 A D H X S+ 0 0 89 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.903 110.2 47.0 -61.7 -39.7 14.4 39.9 7.9 135 135 A N H X S+ 0 0 7 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.908 110.6 53.7 -65.1 -42.8 15.2 40.4 4.2 136 136 A F H X S+ 0 0 7 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.931 112.3 42.1 -53.6 -52.6 15.9 36.7 3.9 137 137 A F H X S+ 0 0 13 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.807 109.4 57.7 -72.3 -30.0 12.6 35.7 5.4 138 138 A Y H X S+ 0 0 70 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.980 114.3 39.1 -58.0 -54.9 10.6 38.3 3.4 139 139 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.917 116.9 50.5 -58.0 -50.0 12.0 36.7 0.1 140 140 A F H X S+ 0 0 3 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.919 113.1 44.4 -59.0 -48.5 11.7 33.2 1.4 141 141 A Y H X S+ 0 0 34 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.805 110.0 55.1 -69.5 -32.5 8.0 33.5 2.5 142 142 A E H <>S+ 0 0 30 -4,-2.0 5,-2.8 -5,-0.2 -1,-0.2 0.926 111.6 45.8 -62.3 -42.1 7.0 35.4 -0.7 143 143 A a H ><5S+ 0 0 3 -4,-2.3 3,-1.7 1,-0.2 5,-0.3 0.891 110.1 52.1 -68.0 -43.0 8.4 32.4 -2.6 144 144 A L H 3<5S+ 0 0 29 -4,-2.5 -44,-0.3 1,-0.3 -1,-0.2 0.847 107.5 55.0 -59.4 -33.1 6.7 29.9 -0.3 145 145 A D T 3<5S- 0 0 87 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.307 126.8-101.5 -84.3 8.1 3.4 31.8 -1.0 146 146 A G T < 5S+ 0 0 65 -3,-1.7 -3,-0.2 1,-0.1 3,-0.2 0.759 95.5 111.3 76.4 24.7 3.9 31.4 -4.8 147 147 A R < + 0 0 108 -5,-2.8 -4,-0.2 -6,-0.1 -3,-0.1 -0.363 37.2 111.6-118.5 48.8 5.3 34.9 -5.4 148 148 A a >> + 0 0 18 -5,-0.3 3,-2.2 -6,-0.1 4,-1.7 0.610 50.1 83.4 -96.0 -17.4 8.8 33.9 -6.3 149 149 A S T 34 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.866 84.3 62.2 -62.8 -33.6 8.9 34.9 -10.0 150 150 A Q T 34 S+ 0 0 113 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.686 117.4 31.4 -55.9 -19.1 9.7 38.5 -9.0 151 151 A F T <4 0 0 19 -3,-2.2 -2,-0.2 -63,-0.1 -59,-0.2 0.576 360.0 360.0-117.2 -18.5 13.0 37.0 -7.5 152 152 A S < 0 0 90 -4,-1.7 -63,-0.1 -60,-0.1 -62,-0.1 -0.318 360.0 360.0 -75.7 360.0 13.8 34.0 -9.6