==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAR-01 1IA6 . COMPND 2 MOLECULE: CELLULASE CEL9M; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOLYTICUM; . AUTHOR G.PARSIEGLA,A.BELAICH,J.P.BELAICH,R.HASER . 423 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 23 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 3 0 1 0 0 1 1 0 1 0 0 2 1 3 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 5 1 1 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 1 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 77 0, 0.0 337,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 141.1 -10.0 40.2 56.4 2 2 A G + 0 0 89 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.861 360.0 22.8 -56.4 -38.1 -9.9 41.8 59.8 3 3 A T - 0 0 122 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.968 68.8-162.8-133.6 148.7 -8.4 38.7 61.3 4 4 A H - 0 0 30 -2,-0.3 2,-1.3 421,-0.1 3,-0.2 -0.957 24.5-126.0-131.3 149.0 -6.3 35.7 59.9 5 5 A D > + 0 0 77 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 -0.671 38.4 161.0 -94.7 81.5 -5.5 32.2 61.1 6 6 A Y H > + 0 0 15 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.788 69.6 63.7 -70.2 -28.4 -1.7 32.3 60.8 7 7 A S H > S+ 0 0 49 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 105.2 42.1 -61.6 -49.5 -1.5 29.3 63.3 8 8 A T H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 113.0 54.0 -67.5 -37.4 -3.3 26.9 61.0 9 9 A A H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.912 107.8 51.2 -63.4 -41.3 -1.5 28.1 57.9 10 10 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 5,-0.2 0.952 109.6 49.0 -60.2 -50.4 1.8 27.5 59.7 11 11 A K H X S+ 0 0 96 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.919 113.6 47.4 -55.0 -46.8 0.8 23.9 60.6 12 12 A D H X S+ 0 0 13 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.908 107.2 55.5 -62.6 -43.6 -0.2 23.3 57.0 13 13 A S H < S+ 0 0 0 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.787 111.4 45.0 -61.9 -28.3 3.0 24.7 55.5 14 14 A I H >< S+ 0 0 0 -4,-1.6 3,-1.0 -3,-0.3 4,-0.3 0.875 108.3 56.5 -80.9 -40.6 5.1 22.4 57.6 15 15 A I H >< S+ 0 0 25 -4,-2.1 3,-2.1 1,-0.2 4,-0.5 0.825 90.5 76.0 -59.3 -33.8 2.9 19.4 56.8 16 16 A F G >< S+ 0 0 0 -4,-1.8 3,-2.2 1,-0.3 4,-0.4 0.855 82.4 66.0 -45.8 -44.3 3.4 19.9 53.1 17 17 A F G X S+ 0 0 1 -3,-1.0 3,-1.4 -4,-0.4 4,-0.5 0.761 86.1 70.6 -55.0 -26.4 6.9 18.5 53.3 18 18 A D G X S+ 0 0 0 -3,-2.1 3,-0.8 -4,-0.3 -1,-0.3 0.815 90.1 62.8 -59.9 -30.3 5.5 15.1 54.1 19 19 A A G < S+ 0 0 0 -3,-2.2 -1,-0.3 -4,-0.5 -2,-0.2 0.719 106.8 42.7 -69.4 -20.2 4.2 14.9 50.5 20 20 A N G < S+ 0 0 0 -3,-1.4 35,-3.3 -4,-0.4 -1,-0.2 0.384 78.8 131.5-108.3 4.2 7.8 15.0 49.2 21 21 A K B < -A 54 0A 9 -3,-0.8 2,-0.3 -4,-0.5 33,-0.2 -0.303 39.6-160.2 -59.9 138.7 9.6 12.6 51.5 22 22 A C + 0 0 0 31,-2.5 3,-0.2 15,-0.1 17,-0.1 -0.888 38.2 45.6-122.1 150.8 11.7 10.1 49.7 23 23 A G B > S-B 38 0B 0 15,-0.7 3,-1.7 -2,-0.3 15,-1.2 -0.442 96.0 -53.0 113.6 173.4 13.1 6.7 50.8 24 24 A P T 3 S+ 0 0 65 0, 0.0 3,-0.3 0, 0.0 13,-0.2 0.780 134.6 45.1 -59.3 -29.0 12.1 3.5 52.5 25 25 A Q T > S+ 0 0 114 -3,-0.2 3,-1.4 1,-0.2 -2,-0.1 0.184 76.4 113.2-102.8 16.7 10.9 5.4 55.5 26 26 A A T < S+ 0 0 0 -3,-1.7 -1,-0.2 1,-0.3 -5,-0.2 0.849 79.6 47.9 -56.2 -37.3 8.9 8.1 53.6 27 27 A G T > S+ 0 0 35 -3,-0.3 3,-1.3 -4,-0.3 2,-0.4 0.511 83.5 112.5 -84.6 -4.3 5.6 6.8 54.9 28 28 A E T < S- 0 0 130 -3,-1.4 3,-0.1 1,-0.3 -3,-0.0 -0.569 98.9 -11.0 -74.5 122.7 6.7 6.7 58.6 29 29 A N T 3 S+ 0 0 100 -2,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.859 98.0 153.5 56.8 37.1 4.8 9.2 60.6 30 30 A N < - 0 0 22 -3,-1.3 -1,-0.2 1,-0.1 5,-0.1 -0.841 44.2-147.9 -99.1 131.2 3.5 10.8 57.4 31 31 A V S S+ 0 0 73 -2,-0.5 2,-0.7 -16,-0.2 -1,-0.1 0.722 81.2 78.6 -70.5 -21.1 0.2 12.6 57.6 32 32 A F > - 0 0 13 1,-0.1 3,-1.5 -17,-0.1 -2,-0.1 -0.804 63.2-162.8 -94.1 116.5 -0.7 11.6 54.0 33 33 A D T 3 S+ 0 0 149 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.649 87.7 67.3 -70.6 -12.3 -2.0 8.1 53.8 34 34 A W T 3 S+ 0 0 42 2,-0.0 2,-0.4 -3,-0.0 -1,-0.3 0.400 86.1 84.7 -88.5 3.7 -1.3 8.2 50.0 35 35 A R < + 0 0 12 -3,-1.5 2,-0.2 -8,-0.1 -5,-0.1 -0.873 52.4 152.1-108.2 140.2 2.5 8.3 50.5 36 36 A G - 0 0 21 -2,-0.4 -13,-0.1 -15,-0.1 -11,-0.1 -0.777 49.3 -37.5-146.1-169.6 4.7 5.3 51.0 37 37 A A + 0 0 52 -2,-0.2 2,-0.3 -13,-0.2 -1,-0.1 -0.305 62.0 170.6 -60.3 137.9 8.2 3.9 50.5 38 38 A C B +B 23 0B 3 -15,-1.2 -15,-0.7 1,-0.1 95,-0.2 -0.971 50.6 11.0-147.8 159.5 9.9 5.0 47.2 39 39 A H > + 0 0 15 93,-0.6 3,-1.1 96,-0.4 13,-0.2 0.850 66.1 168.5 36.4 55.5 13.3 5.0 45.5 40 40 A T T 3 + 0 0 76 1,-0.2 -1,-0.2 -17,-0.2 11,-0.1 0.460 66.0 56.7 -75.5 -3.1 14.6 2.5 48.0 41 41 A T T > S+ 0 0 63 96,-0.1 3,-2.3 9,-0.1 -1,-0.2 0.232 70.6 146.6-113.3 12.3 17.7 1.7 46.0 42 42 A D T < S+ 0 0 3 -3,-1.1 8,-2.2 1,-0.3 9,-0.3 -0.227 70.9 19.0 -52.5 132.1 19.1 5.3 45.7 43 43 A G T >>>S+ 0 0 0 96,-0.5 5,-2.0 6,-0.2 3,-1.7 0.301 84.8 119.2 90.4 -8.9 22.9 5.2 45.7 44 44 A S T <45 + 0 0 66 -3,-2.3 3,-0.4 1,-0.3 -2,-0.1 0.764 67.4 65.3 -61.3 -24.0 23.2 1.6 44.8 45 45 A D T 345S+ 0 0 71 94,-0.3 -1,-0.3 -4,-0.2 -3,-0.1 0.712 113.0 31.0 -71.9 -19.9 25.1 2.5 41.7 46 46 A V T <45S- 0 0 55 -3,-1.7 -1,-0.2 2,-0.3 -2,-0.2 0.290 113.7-109.3-119.2 7.5 28.0 3.9 43.7 47 47 A G T <5S+ 0 0 69 -4,-0.6 2,-0.4 -3,-0.4 -3,-0.2 0.801 81.8 113.6 70.7 30.1 27.8 1.6 46.7 48 48 A V S -C 118 0C 2 -2,-0.8 4,-1.7 55,-0.2 55,-0.2 -0.805 14.4-142.4 -91.0 122.5 18.6 18.5 43.5 64 64 A G H > S+ 0 0 9 53,-1.2 4,-2.3 -2,-0.5 5,-0.2 0.802 89.6 50.7 -54.8 -42.5 21.4 19.5 45.9 65 65 A L H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.976 116.1 37.6 -67.5 -55.2 21.1 23.3 45.9 66 66 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.820 115.1 57.5 -66.3 -25.8 17.4 23.7 46.6 67 67 A Q H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.953 113.1 38.8 -66.1 -47.2 17.6 20.7 49.0 68 68 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.905 115.5 51.9 -68.6 -43.4 20.3 22.5 51.1 69 69 A Y H X S+ 0 0 3 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.940 110.5 49.0 -57.5 -49.4 18.7 25.9 50.8 70 70 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.917 111.4 48.4 -59.0 -45.6 15.3 24.6 51.9 71 71 A A H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.877 113.3 49.1 -62.9 -37.9 16.8 22.8 54.9 72 72 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.899 111.7 46.8 -69.4 -41.8 18.8 26.0 55.9 73 73 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.871 112.5 49.6 -69.8 -37.2 15.8 28.3 55.6 74 74 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.917 112.1 49.0 -66.1 -41.8 13.5 26.0 57.6 75 75 A G H X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.877 109.6 51.8 -64.2 -37.2 16.3 25.7 60.3 76 76 A W H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.893 106.4 54.8 -65.8 -39.1 16.6 29.5 60.3 77 77 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.916 110.9 44.0 -59.6 -46.1 12.9 29.9 60.8 78 78 A L H < S+ 0 0 4 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.880 113.9 51.3 -67.5 -39.4 12.9 27.6 63.9 79 79 A Y H < S+ 0 0 86 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.907 118.5 35.1 -65.0 -44.4 16.1 29.4 65.3 80 80 A E H < S+ 0 0 11 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.809 131.2 28.3 -82.2 -32.9 14.7 32.9 65.0 81 81 A F >X + 0 0 0 -4,-2.3 3,-1.3 -5,-0.3 4,-1.0 -0.149 69.8 140.6-123.8 40.4 11.0 32.3 65.8 82 82 A K H >> + 0 0 90 -4,-0.4 4,-2.4 -3,-0.4 3,-0.5 0.837 69.8 61.9 -49.9 -40.6 11.1 29.2 68.1 83 83 A E H 3> S+ 0 0 119 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.854 98.4 56.9 -56.3 -38.0 8.4 30.7 70.3 84 84 A S H <> S+ 0 0 4 -3,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.869 109.9 43.9 -63.0 -38.4 5.9 30.6 67.4 85 85 A F H <<>S+ 0 0 0 -4,-1.0 5,-2.7 -3,-0.5 6,-1.0 0.907 114.9 48.3 -73.8 -42.7 6.4 26.9 66.8 86 86 A D H ><5S+ 0 0 75 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.952 111.2 49.9 -61.5 -50.3 6.2 26.0 70.6 87 87 A A H 3<5S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 115.2 43.0 -59.5 -33.7 3.1 28.1 71.2 88 88 A T T 3<5S- 0 0 35 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.380 112.2-116.7 -95.0 3.3 1.3 26.5 68.2 89 89 A G T < 5S+ 0 0 63 -3,-1.3 4,-0.2 -4,-0.4 -3,-0.2 0.815 82.5 116.8 67.4 31.7 2.5 23.0 69.0 90 90 A N >< + 0 0 10 -5,-2.7 4,-2.5 -6,-0.2 -4,-0.2 0.461 41.5 92.2-108.3 -3.0 4.4 22.7 65.7 91 91 A T H > S+ 0 0 16 -6,-1.0 4,-2.5 1,-0.2 5,-0.2 0.899 84.9 51.4 -58.8 -44.7 7.9 22.3 67.1 92 92 A T H > S+ 0 0 104 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.929 113.7 42.8 -59.8 -48.3 7.9 18.5 67.2 93 93 A K H > S+ 0 0 30 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 112.4 54.5 -65.3 -42.7 6.7 18.1 63.6 94 94 A M H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.917 107.2 50.4 -57.1 -45.3 9.1 20.8 62.4 95 95 A L H X S+ 0 0 20 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.851 107.7 54.0 -63.1 -34.2 12.1 19.0 64.0 96 96 A Q H X S+ 0 0 64 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.920 108.3 48.7 -66.1 -42.1 11.0 15.7 62.3 97 97 A Q H X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.918 113.8 47.7 -63.3 -42.3 11.0 17.5 58.9 98 98 A L H >X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 3,-0.5 0.915 109.2 51.3 -65.9 -44.1 14.5 18.9 59.6 99 99 A K H 3X S+ 0 0 53 -4,-2.7 4,-2.7 1,-0.3 5,-0.2 0.827 103.2 60.0 -65.2 -28.4 16.0 15.7 60.8 100 100 A Y H 3X S+ 0 0 32 -4,-1.7 4,-0.9 2,-0.2 -47,-0.8 0.866 109.5 44.7 -66.2 -32.9 14.7 14.0 57.6 101 101 A F H < S+ 0 0 35 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.907 110.4 49.1 -65.1 -42.2 25.0 12.9 56.7 107 107 A K H 3< S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.822 106.5 58.0 -66.1 -30.2 24.6 9.7 54.7 108 108 A S T 3< S+ 0 0 0 -4,-1.8 8,-2.3 1,-0.2 -1,-0.3 0.449 95.6 68.7 -79.4 -0.5 25.6 11.6 51.6 109 109 A H < + 0 0 21 -3,-1.4 -1,-0.2 6,-0.2 6,-0.2 -0.685 58.0 165.3-119.8 73.2 29.0 12.5 53.2 110 110 A P + 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.780 69.0 8.4 -59.4 -34.1 30.7 9.1 53.4 111 111 A N S > S- 0 0 77 3,-0.4 3,-1.3 -3,-0.1 0, 0.0 -0.874 91.8 -88.4-141.1 174.0 34.2 10.6 54.2 112 112 A S T 3 S+ 0 0 66 -2,-0.3 78,-0.2 1,-0.2 3,-0.0 0.691 121.5 37.7 -61.5 -21.7 35.6 14.0 55.0 113 113 A T T 3 S+ 0 0 62 76,-0.0 2,-0.4 77,-0.0 -1,-0.2 0.188 102.3 78.4-118.4 19.9 36.2 15.1 51.4 114 114 A T < + 0 0 18 -3,-1.3 -3,-0.4 32,-0.1 2,-0.3 -0.984 42.6 171.1-132.6 139.6 33.2 13.7 49.5 115 115 A F E - D 0 145C 5 30,-2.0 30,-3.2 -2,-0.4 2,-0.4 -0.878 19.1-152.0-149.4 113.7 29.6 14.8 49.2 116 116 A Y E + D 0 144C 26 -8,-2.3 28,-0.3 -2,-0.3 3,-0.1 -0.687 21.0 170.5 -81.7 133.1 26.9 13.4 46.8 117 117 A Y E + 0 0 4 26,-2.0 -53,-1.2 -2,-0.4 2,-0.3 0.408 51.2 50.2-130.9 4.9 24.4 16.0 46.0 118 118 A Q E -CD 63 143C 1 25,-1.1 25,-0.9 -55,-0.2 2,-0.5 -0.930 48.5-177.6-148.4 123.9 22.1 14.8 43.2 119 119 A V E +C 62 0C 1 -57,-1.5 -57,-2.4 -2,-0.3 22,-0.2 -0.986 61.2 21.8-119.1 121.6 20.1 11.6 42.8 120 120 A G S S- 0 0 0 20,-3.0 2,-0.5 -2,-0.5 22,-0.2 -0.203 80.0 -99.5 106.6 160.0 18.2 11.2 39.6 121 121 A E > - 0 0 48 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.978 25.0-143.9-121.7 117.5 18.4 12.7 36.2 122 122 A G H > S+ 0 0 0 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.827 93.0 50.8 -47.2 -49.6 16.0 15.6 35.5 123 123 A N H 4 S+ 0 0 95 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.938 116.6 39.6 -59.5 -49.3 15.2 15.0 31.8 124 124 A A H >4 S+ 0 0 54 1,-0.2 3,-1.5 2,-0.2 4,-0.4 0.901 112.0 56.3 -68.2 -42.8 14.4 11.3 32.2 125 125 A D H >< S+ 0 0 9 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.877 103.6 55.9 -57.8 -37.4 12.5 11.7 35.5 126 126 A H T 3< S+ 0 0 64 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.609 94.4 65.5 -73.4 -11.8 10.2 14.3 33.9 127 127 A T T < S+ 0 0 106 -3,-1.5 2,-0.4 -4,-0.4 -1,-0.3 0.580 92.4 80.9 -83.7 -9.1 9.1 11.8 31.2 128 128 A Y < - 0 0 58 -3,-1.3 2,-0.4 -4,-0.4 7,-0.0 -0.793 56.0-178.5 -99.9 137.6 7.5 9.8 33.9 129 129 A W + 0 0 19 -2,-0.4 238,-0.3 2,-0.0 2,-0.3 -0.890 42.5 76.3-138.9 106.5 4.1 10.6 35.4 130 130 A G S S- 0 0 1 -2,-0.4 236,-0.1 236,-0.1 235,-0.1 -0.946 86.0 -39.9 176.2-177.3 2.8 8.4 38.2 131 131 A A > - 0 0 29 -2,-0.3 3,-1.3 1,-0.1 4,-0.3 -0.359 46.3-130.2 -67.0 142.4 3.3 7.7 41.9 132 132 A P G > S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 -93,-0.6 0.829 107.2 65.0 -62.5 -27.8 6.9 7.9 43.2 133 133 A E G 3 S+ 0 0 59 1,-0.2 -96,-0.0 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-1,-0.2 -0.793 61.8-177.0-145.6 93.6 20.3 15.0 71.3 174 174 A S H > S+ 0 0 79 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.801 83.9 56.2 -64.3 -31.1 23.7 16.6 71.8 175 175 A A H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.943 111.4 41.7 -67.2 -47.6 25.5 13.6 70.2 176 176 A Y H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.913 113.7 54.4 -64.9 -41.8 23.5 13.9 67.0 177 177 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -8,-0.2 -2,-0.2 0.913 108.6 47.8 -58.4 -44.0 23.8 17.7 67.1 178 178 A T H X S+ 0 0 63 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.850 106.5 57.3 -67.3 -33.7 27.6 17.5 67.3 179 179 A K H X S+ 0 0 109 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.904 108.0 49.1 -62.1 -39.0 27.6 15.0 64.5 180 180 A C H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.919 111.0 48.4 -65.7 -44.4 25.8 17.6 62.4 181 181 A L H X S+ 0 0 13 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.902 109.9 51.6 -64.3 -42.1 28.3 20.4 63.4 182 182 A N H X S+ 0 0 82 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.918 112.8 45.6 -61.8 -41.3 31.3 18.2 62.6 183 183 A A H X S+ 0 0 6 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.907 110.1 55.2 -66.7 -40.2 29.9 17.5 59.2 184 184 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.878 106.5 50.9 -59.7 -39.5 29.1 21.2 58.7 185 185 A K H X S+ 0 0 80 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.895 112.0 47.1 -65.8 -40.2 32.7 22.1 59.4 186 186 A E H X S+ 0 0 77 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.886 110.9 49.4 -70.1 -40.6 33.9 19.6 56.9 187 187 A L H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.884 111.6 50.0 -66.8 -37.1 31.5 20.6 54.1 188 188 A Y H X S+ 0 0 4 -4,-1.9 4,-1.9 -5,-0.2 5,-0.2 0.927 109.2 52.2 -65.0 -44.3 32.4 24.3 54.6 189 189 A A H X S+ 0 0 47 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.911 109.8 48.7 -57.7 -45.4 36.1 23.4 54.4 190 190 A M H X S+ 0 0 24 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.912 109.1 54.8 -60.5 -43.8 35.5 21.6 51.1 191 191 A G H < S+ 0 0 0 -4,-2.2 5,-0.2 1,-0.2 -1,-0.2 0.832 113.7 37.9 -61.7 -36.6 33.6 24.5 49.8 192 192 A K H < S+ 0 0 82 -4,-1.9 3,-0.3 1,-0.1 -1,-0.2 0.721 108.5 64.3 -89.5 -18.6 36.3 27.1 50.4 193 193 A A H < S+ 0 0 86 -4,-1.8 2,-0.5 1,-0.3 -2,-0.2 0.912 118.3 20.8 -67.7 -44.9 39.2 24.7 49.4 194 194 A N S < S- 0 0 55 -4,-1.6 -43,-0.5 -5,-0.1 2,-0.4 -0.945 87.6-151.7-128.7 107.8 38.0 24.4 45.8 195 195 A Q + 0 0 81 -2,-0.5 2,-0.2 -3,-0.3 -3,-0.1 -0.686 41.5 93.3 -93.6 130.7 35.8 27.3 44.8 196 196 A G S S- 0 0 15 -2,-0.4 -44,-2.5 -5,-0.2 -43,-0.5 -0.844 70.0 -79.6 167.0 159.1 33.0 27.2 42.1 197 197 A V - 0 0 51 -2,-0.2 12,-0.1 -46,-0.2 -45,-0.0 -0.475 46.0-117.8 -79.4 152.5 29.3 26.5 41.8 198 198 A G - 0 0 7 -47,-0.2 8,-0.4 -2,-0.1 2,-0.4 -0.178 33.1 -92.1 -79.2 177.2 27.9 23.0 41.8 199 199 A N + 0 0 78 -49,-0.1 -135,-0.2 1,-0.1 -134,-0.2 -0.751 42.8 159.7 -96.8 138.7 26.0 21.3 39.0 200 200 A G >> - 0 0 9 1,-0.5 4,-2.3 -2,-0.4 3,-0.9 0.062 46.6-126.8-141.2 24.1 22.2 21.4 38.7 201 201 A Q T 34 - 0 0 41 1,-0.2 -1,-0.5 2,-0.2 3,-0.1 -0.232 63.7 -46.2 56.6-151.8 21.7 20.6 35.1 202 202 A S T 34 S+ 0 0 77 1,-0.2 3,-0.4 -3,-0.1 -1,-0.2 0.512 135.9 70.2 -88.5 -2.3 19.6 23.1 33.2 203 203 A F T <4 S+ 0 0 62 -3,-0.9 2,-0.3 1,-0.2 -2,-0.2 0.883 110.8 22.2 -80.9 -42.3 17.0 23.0 36.1 204 204 A Y S < S+ 0 0 31 -4,-2.3 2,-0.9 -3,-0.1 -1,-0.2 -0.689 73.4 178.9-129.6 78.9 19.1 24.7 38.7 205 205 A Q - 0 0 140 -3,-0.4 2,-0.1 -2,-0.3 -6,-0.1 -0.726 17.7-153.7 -84.3 106.2 21.7 26.8 37.1 206 206 A A - 0 0 20 -2,-0.9 -9,-0.1 -8,-0.4 3,-0.1 -0.450 20.6-178.9 -81.8 153.7 23.7 28.6 39.8 207 207 A T + 0 0 104 1,-0.2 2,-0.3 45,-0.2 -1,-0.1 0.490 61.5 38.2-128.1 -10.2 25.5 31.9 39.4 208 208 A S + 0 0 11 44,-0.2 -1,-0.2 1,-0.1 4,-0.1 -1.000 33.5 166.3-148.9 146.8 27.1 32.6 42.8 209 209 A F S > S+ 0 0 46 -2,-0.3 4,-2.6 27,-0.1 5,-0.2 0.513 71.1 78.7-130.9 -17.7 28.9 30.9 45.7 210 210 A G H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.859 95.1 53.5 -61.8 -34.5 30.5 33.8 47.7 211 211 A D H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 110.4 46.2 -65.2 -44.7 27.1 34.5 49.2 212 212 A D H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.909 111.2 50.9 -66.5 -43.1 26.7 30.9 50.3 213 213 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.923 112.7 46.7 -60.3 -44.0 30.2 30.7 51.8 214 214 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.927 113.1 49.6 -63.0 -46.2 29.6 33.9 53.8 215 215 A W H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.935 112.4 46.1 -58.0 -50.3 26.2 32.7 54.9 216 216 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.880 110.6 55.4 -61.9 -37.7 27.6 29.3 56.1 217 217 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.876 102.1 55.1 -64.2 -39.5 30.5 31.1 57.8 218 218 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.871 109.1 48.4 -64.6 -34.1 28.3 33.3 59.9 219 219 A W H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.892 107.5 53.4 -73.2 -38.0 26.5 30.2 61.3 220 220 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 6,-0.4 0.852 109.2 51.8 -64.4 -30.6 29.7 28.4 62.1 221 221 A Y H X S+ 0 0 62 -4,-1.7 4,-3.4 2,-0.2 -2,-0.2 0.948 107.4 50.8 -68.5 -47.8 30.7 31.6 64.0 222 222 A T H < S+ 0 0 33 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.867 116.5 42.2 -57.2 -36.2 27.4 31.6 66.0 223 223 A A H < S+ 0 0 15 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.799 129.2 24.4 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