==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-AUG-05 2AN2 . COMPND 2 MOLECULE: P332G A333S DOUBLE MUTANT OF NITRIC OXIDE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR K.PANT,B.R.CRANE . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17594.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 3 0.8 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 . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.3 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 1 1 0 1 1 0 0 0 0 1 0 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 3 2 5 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 . 3 2 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 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 -2 A S > 0 0 120 0, 0.0 4,-2.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -21.5 7.5 24.6 40.2 2 -1 A H H > + 0 0 171 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.847 360.0 51.5 -68.3 -32.5 7.8 22.9 36.8 3 0 A A H > S+ 0 0 62 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.664 111.9 48.9 -75.9 -17.2 5.7 20.0 38.2 4 1 A A H > S+ 0 0 47 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.883 110.3 47.5 -86.8 -46.2 3.1 22.6 39.3 5 2 A I H X S+ 0 0 79 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.906 109.2 54.9 -60.9 -46.5 2.9 24.5 36.0 6 3 A L H X S+ 0 0 16 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.930 108.0 49.1 -53.3 -49.5 2.5 21.3 34.0 7 4 A W H X S+ 0 0 49 -4,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.904 111.0 49.8 -59.0 -44.4 -0.5 20.3 36.2 8 5 A N H X S+ 0 0 81 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.923 113.4 43.9 -62.5 -48.3 -2.2 23.6 35.8 9 6 A E H X S+ 0 0 48 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.924 113.2 54.5 -61.8 -44.1 -1.8 23.7 32.0 10 7 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 5,-0.3 0.876 105.6 51.8 -57.4 -42.8 -2.9 20.1 31.9 11 8 A K H X S+ 0 0 89 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.983 112.9 43.6 -60.1 -55.0 -6.1 20.8 33.8 12 9 A A H X S+ 0 0 59 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.874 116.1 48.3 -57.5 -44.1 -7.1 23.6 31.5 13 10 A F H X S+ 0 0 6 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.943 110.4 47.5 -63.6 -55.0 -6.3 21.7 28.3 14 11 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.913 115.4 46.7 -54.5 -46.2 -8.0 18.4 29.1 15 12 A A H X S+ 0 0 44 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.982 117.6 41.2 -59.6 -58.2 -11.1 20.2 30.2 16 13 A E H X S+ 0 0 74 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.834 116.4 52.2 -60.1 -34.6 -11.2 22.4 27.2 17 14 A C H X S+ 0 0 0 -4,-3.4 4,-1.6 -5,-0.2 3,-0.3 0.972 112.5 41.6 -68.1 -53.8 -10.1 19.6 24.9 18 15 A Y H X>S+ 0 0 11 -4,-3.1 5,-3.1 1,-0.2 4,-1.0 0.846 109.1 59.2 -65.7 -31.5 -12.8 17.1 26.0 19 16 A A H <5S+ 0 0 67 -4,-2.5 3,-0.3 -5,-0.3 -1,-0.2 0.899 108.5 46.0 -63.0 -38.7 -15.5 19.7 26.1 20 17 A E H <5S+ 0 0 57 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.836 114.9 46.9 -70.3 -34.5 -14.8 20.4 22.4 21 18 A L H <5S- 0 0 53 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.526 115.1-118.9 -83.7 -8.4 -14.8 16.6 21.7 22 19 A G T <5S+ 0 0 54 -4,-1.0 -3,-0.2 -3,-0.3 3,-0.1 0.830 80.5 119.2 73.0 32.9 -18.0 16.2 23.7 23 20 A K > < + 0 0 61 -5,-3.1 3,-0.7 1,-0.1 -4,-0.2 -0.403 19.8 143.6-123.9 53.0 -16.4 13.9 26.3 24 21 A A T > + 0 0 69 -6,-0.2 3,-1.0 1,-0.2 4,-0.4 0.779 66.4 61.3 -64.8 -27.3 -16.9 16.0 29.5 25 22 A E T 3> S+ 0 0 131 1,-0.2 4,-0.5 2,-0.1 3,-0.5 0.795 97.5 58.1 -70.6 -29.4 -17.5 12.9 31.7 26 23 A E H <> S+ 0 0 73 -3,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.419 84.3 86.4 -81.7 0.9 -14.1 11.5 31.0 27 24 A V H <> S+ 0 0 24 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.909 86.7 47.5 -68.8 -45.7 -12.3 14.6 32.3 28 25 A A H > S+ 0 0 60 -3,-0.5 4,-1.8 -4,-0.4 5,-0.2 0.974 114.5 45.7 -60.3 -55.5 -12.3 13.6 36.0 29 26 A D H X S+ 0 0 111 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.896 114.8 47.1 -54.4 -49.1 -10.9 10.1 35.4 30 27 A R H X S+ 0 0 39 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.897 109.5 53.4 -62.3 -43.4 -8.2 11.2 32.9 31 28 A L H X S+ 0 0 27 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.829 107.8 51.9 -62.7 -32.4 -7.1 14.1 35.2 32 29 A D H X S+ 0 0 102 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.922 109.7 47.8 -70.0 -44.1 -6.6 11.6 38.0 33 30 A S H X S+ 0 0 67 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.849 112.5 51.1 -63.7 -34.3 -4.5 9.3 35.9 34 31 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.882 106.0 54.5 -70.0 -41.0 -2.5 12.3 34.8 35 32 A K H X S+ 0 0 93 -4,-2.1 4,-1.4 2,-0.2 3,-0.4 0.959 109.9 46.0 -57.6 -53.2 -1.9 13.5 38.4 36 33 A S H >X S+ 0 0 71 -4,-2.1 4,-3.4 1,-0.2 3,-0.5 0.917 111.4 54.2 -55.7 -44.4 -0.4 10.1 39.3 37 34 A E H 3X>S+ 0 0 51 -4,-1.9 4,-2.3 1,-0.3 5,-1.4 0.827 104.4 52.7 -62.0 -35.3 1.7 10.1 36.1 38 35 A I H 3<5S+ 0 0 9 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.802 117.4 39.6 -72.2 -26.3 3.2 13.5 36.9 39 36 A D H <<5S+ 0 0 101 -4,-1.4 -2,-0.2 -3,-0.5 -3,-0.1 0.958 118.0 46.8 -80.4 -60.9 4.2 12.2 40.3 40 37 A L H <5S+ 0 0 141 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.882 138.0 5.5 -45.2 -59.5 5.2 8.7 39.2 41 38 A T T <5S- 0 0 94 -4,-2.3 -3,-0.2 2,-0.4 -1,-0.2 0.792 98.1-111.7-101.4 -36.7 7.3 9.9 36.2 42 39 A G S - 0 0 52 1,-0.1 4,-2.5 0, 0.0 5,-0.4 -0.600 30.5-105.7 -87.7 155.7 -3.4 10.1 23.8 48 45 A K H > S+ 0 0 144 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.889 124.5 48.2 -47.9 -39.3 -3.4 10.0 20.0 49 46 A E H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.969 110.3 47.4 -67.1 -56.1 -6.7 11.8 20.2 50 47 A E H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.935 115.2 46.0 -50.7 -54.3 -5.7 14.5 22.7 51 48 A L H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.859 109.8 54.2 -58.3 -42.4 -2.5 15.3 20.9 52 49 A E H X S+ 0 0 83 -4,-1.9 4,-1.3 -5,-0.4 3,-0.2 0.968 116.0 38.1 -58.3 -51.8 -4.2 15.4 17.5 53 50 A H H X S+ 0 0 19 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.843 111.4 60.1 -68.9 -33.4 -6.8 17.9 18.7 54 51 A G H X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.876 106.7 47.1 -61.9 -35.1 -4.2 19.8 20.7 55 52 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 -3,-0.2 -1,-0.2 0.789 112.2 49.4 -75.9 -30.7 -2.3 20.4 17.5 56 53 A K H X S+ 0 0 22 -4,-1.3 4,-2.0 2,-0.2 3,-0.3 0.852 110.7 49.8 -75.7 -35.9 -5.4 21.5 15.7 57 54 A M H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.916 105.4 57.7 -66.3 -41.9 -6.3 23.9 18.6 58 55 A A H < S+ 0 0 0 -4,-1.9 294,-0.3 -5,-0.2 -1,-0.2 0.762 106.7 49.1 -58.3 -30.0 -2.8 25.2 18.4 59 56 A W H >< S+ 0 0 29 -4,-0.7 3,-2.5 -3,-0.3 -1,-0.2 0.943 107.1 54.0 -73.4 -50.9 -3.4 26.2 14.8 60 57 A R H 3< S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.766 109.7 49.8 -53.7 -28.0 -6.7 27.9 15.6 61 58 A N T 3< S+ 0 0 13 -4,-1.7 2,-1.8 289,-0.2 287,-0.3 0.372 76.7 117.1 -97.1 8.1 -4.8 30.0 18.1 62 59 A S X - 0 0 20 -3,-2.5 3,-3.3 1,-0.2 6,-0.1 -0.526 49.5-164.6 -80.2 81.4 -2.0 31.0 15.8 63 60 A N T 3 S+ 0 0 9 -2,-1.8 260,-2.4 1,-0.3 -1,-0.2 0.631 83.5 50.6 -36.3 -30.8 -2.6 34.8 15.7 64 61 A R T 3 S+ 0 0 97 258,-0.2 2,-0.5 262,-0.1 -1,-0.3 0.538 86.3 97.8 -94.1 -5.7 -0.5 35.3 12.6 65 62 A C < - 0 0 36 -3,-3.3 3,-0.4 -6,-0.2 262,-0.1 -0.716 45.6-174.5 -90.2 126.4 -2.0 32.6 10.4 66 63 A I S S+ 0 0 23 -2,-0.5 3,-0.4 1,-0.2 -1,-0.2 0.651 80.9 66.1 -89.4 -15.1 -4.5 33.8 7.9 67 64 A G > + 0 0 21 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.134 61.1 123.1 -95.7 27.5 -5.3 30.3 6.8 68 65 A R G > + 0 0 1 -3,-0.4 3,-1.9 1,-0.2 -1,-0.2 0.613 48.3 86.9 -63.3 -14.0 -6.8 29.2 10.1 69 66 A L G 3 S+ 0 0 17 -3,-0.4 3,-0.4 1,-0.3 -1,-0.2 0.810 87.7 51.2 -57.9 -30.4 -10.2 28.2 8.5 70 67 A F G X S+ 0 0 52 -3,-1.3 3,-2.1 1,-0.2 4,-0.4 0.196 73.6 121.6 -95.9 24.6 -8.9 24.7 7.8 71 68 A W G X S+ 0 0 24 -3,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.825 71.4 50.8 -55.5 -36.4 -7.7 24.2 11.3 72 69 A N G 3 S+ 0 0 90 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.506 102.1 62.0 -83.7 -2.2 -9.9 21.1 11.9 73 70 A S G < S+ 0 0 72 -3,-2.1 -1,-0.2 -17,-0.1 -2,-0.2 0.419 72.0 133.9-100.8 1.6 -8.7 19.4 8.7 74 71 A L < - 0 0 9 -3,-1.0 2,-0.8 -4,-0.4 34,-0.2 -0.227 55.0-135.2 -54.6 131.5 -5.0 19.3 9.8 75 72 A N E -a 108 0A 58 32,-2.8 34,-1.9 2,-0.0 2,-0.5 -0.852 20.8-157.7 -94.1 105.4 -3.5 15.8 9.2 76 73 A V E -a 109 0A 25 -2,-0.8 2,-0.7 32,-0.2 34,-0.2 -0.776 6.6-164.6 -90.6 124.2 -1.6 14.9 12.3 77 74 A I E -a 110 0A 19 32,-3.5 34,-2.6 -2,-0.5 2,-0.9 -0.910 11.7-148.7-109.8 108.9 1.2 12.3 11.9 78 75 A D E +a 111 0A 29 -2,-0.7 3,-0.2 32,-0.2 34,-0.1 -0.657 30.2 159.5 -83.7 105.5 2.2 10.9 15.3 79 76 A R > + 0 0 79 32,-1.3 3,-1.3 -2,-0.9 -1,-0.1 -0.197 27.2 128.0-116.4 39.9 5.9 9.9 15.3 80 77 A R T 3 + 0 0 44 32,-0.2 -1,-0.1 1,-0.2 32,-0.1 0.430 66.0 70.7 -73.4 2.7 6.6 9.9 19.1 81 78 A D T 3 + 0 0 90 -3,-0.2 -1,-0.2 6,-0.1 -2,-0.1 0.555 67.2 120.4 -95.5 -11.9 8.0 6.4 18.5 82 79 A V < + 0 0 10 -3,-1.3 3,-0.1 1,-0.1 -3,-0.0 -0.310 26.0 164.5 -58.6 132.7 11.2 7.5 16.7 83 80 A R + 0 0 174 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.594 55.3 50.5-121.5 -25.8 14.4 6.5 18.4 84 81 A T S > S- 0 0 57 1,-0.1 4,-2.0 89,-0.0 3,-0.4 -0.781 80.5-114.0-120.8 163.2 17.1 6.9 15.8 85 82 A K H > S+ 0 0 82 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.802 120.6 56.6 -60.2 -30.0 18.3 9.4 13.3 86 83 A E H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.876 106.1 50.1 -68.6 -37.8 17.2 7.0 10.6 87 84 A D H > S+ 0 0 63 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.856 113.4 45.4 -67.1 -38.6 13.7 7.1 12.2 88 85 A V H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.966 112.5 49.9 -70.5 -50.6 13.7 10.9 12.2 89 86 A R H X S+ 0 0 57 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.913 114.1 44.9 -53.1 -48.8 15.1 11.2 8.7 90 87 A D H X S+ 0 0 77 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.912 112.6 52.4 -63.3 -39.7 12.5 8.8 7.3 91 88 A A H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.939 113.1 44.0 -59.2 -50.4 9.8 10.6 9.3 92 89 A L H X S+ 0 0 0 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.923 111.7 52.1 -62.3 -46.0 10.8 13.9 7.8 93 90 A F H X S+ 0 0 41 -4,-3.2 4,-1.7 -5,-0.2 -1,-0.2 0.889 111.4 50.1 -58.7 -36.1 11.1 12.4 4.3 94 91 A H H X S+ 0 0 81 -4,-2.4 4,-3.3 -5,-0.2 5,-0.4 0.885 104.0 56.2 -70.5 -39.5 7.6 11.1 4.8 95 92 A H H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.918 108.9 48.3 -59.0 -42.5 6.2 14.5 6.0 96 93 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.898 115.5 44.1 -64.8 -39.7 7.5 16.1 2.8 97 94 A E H X S+ 0 0 118 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.940 117.3 43.0 -71.3 -48.9 6.0 13.3 0.6 98 95 A T H < S+ 0 0 20 -4,-3.3 -2,-0.2 2,-0.2 -3,-0.2 0.912 119.1 45.2 -65.8 -40.0 2.6 13.1 2.4 99 96 A A H < S+ 0 0 0 -4,-2.6 7,-2.0 -5,-0.4 -2,-0.2 0.967 111.0 52.0 -67.4 -52.5 2.4 16.9 2.6 100 97 A T H >< S+ 0 0 10 -4,-2.5 3,-2.2 -5,-0.3 -2,-0.2 0.906 76.5 178.3 -49.8 -50.5 3.4 17.5 -1.1 101 98 A N G >< S- 0 0 46 -4,-2.3 3,-1.4 1,-0.3 -1,-0.1 0.784 72.6 -62.8 48.2 37.0 0.8 15.0 -2.3 102 99 A N G 3 S- 0 0 153 1,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.673 107.7 -43.0 65.0 21.2 1.7 15.6 -6.0 103 100 A G G < S+ 0 0 1 -3,-2.2 192,-3.2 -4,-0.1 2,-2.0 -0.038 120.7 100.7 115.9 -30.6 0.6 19.2 -5.7 104 101 A K S < S- 0 0 151 -3,-1.4 190,-0.1 190,-0.2 -2,-0.0 -0.482 72.6-151.9 -86.2 66.4 -2.6 18.8 -3.7 105 102 A I - 0 0 10 -2,-2.0 -5,-0.2 1,-0.1 -6,-0.1 0.057 5.4-145.4 -40.7 141.7 -0.7 19.8 -0.6 106 103 A R - 0 0 100 -7,-2.0 2,-0.9 128,-0.1 -1,-0.1 -0.970 18.3-124.0-118.0 115.7 -2.1 18.5 2.7 107 104 A P + 0 0 11 0, 0.0 -32,-2.8 0, 0.0 2,-0.2 -0.488 54.7 166.0 -58.7 103.2 -1.8 20.7 5.8 108 105 A S E -a 75 0A 0 -2,-0.9 125,-2.2 125,-0.4 2,-0.3 -0.748 31.3-164.1-122.7 170.0 0.1 18.3 8.0 109 106 A I E -aB 76 232A 0 -34,-1.9 -32,-3.5 -2,-0.2 2,-0.6 -0.931 11.6-149.1-158.0 124.6 2.2 18.0 11.1 110 107 A T E -a 77 0A 1 121,-1.9 2,-0.9 -2,-0.3 -32,-0.2 -0.882 17.0-146.5 -96.9 119.4 4.6 15.3 12.4 111 108 A I E -a 78 0A 0 -34,-2.6 -32,-1.3 -2,-0.6 119,-0.2 -0.748 18.3-171.3 -90.4 104.9 4.6 15.1 16.2 112 109 A F - 0 0 0 117,-1.9 -32,-0.2 -2,-0.9 117,-0.2 -0.535 41.8 -70.2 -89.5 159.6 8.1 14.2 17.4 113 110 A P - 0 0 12 0, 0.0 9,-0.4 0, 0.0 8,-0.4 -0.172 56.3-126.1 -50.6 134.1 8.8 13.3 21.1 114 111 A P - 0 0 23 0, 0.0 113,-0.2 0, 0.0 2,-0.2 -0.125 35.5 -72.8 -76.4 175.2 8.6 16.2 23.5 115 112 A E - 0 0 22 111,-2.6 111,-0.3 1,-0.1 5,-0.2 -0.466 42.3-161.5 -71.6 137.8 11.1 17.6 26.0 116 113 A E S S+ 0 0 111 3,-2.2 2,-0.8 -2,-0.2 -1,-0.1 0.864 80.9 0.4 -83.0 -95.4 11.6 15.4 29.1 117 114 A K S S- 0 0 195 1,-0.1 -1,-0.1 -74,-0.0 3,-0.1 -0.288 128.5 -67.4 -90.8 48.8 13.3 17.2 31.9 118 115 A G S S+ 0 0 55 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251 A Y T 5 - 0 0 19 -7,-2.1 -6,-0.2 -8,-0.2 -5,-0.1 0.725 68.2-159.2 -65.3 -26.6 16.1 37.8 -3.4 253 252 A D < + 0 0 80 -5,-1.5 -6,-0.3 -9,-0.3 4,-0.2 0.909 30.6 154.2 49.5 65.0 15.3 41.4 -4.3 254 253 A K > + 0 0 33 -8,-2.5 4,-3.1 1,-0.1 5,-0.3 0.325 33.6 108.6-104.7 9.7 14.1 41.0 -7.9 255 254 A L H > S+ 0 0 18 -8,-0.3 4,-2.7 -9,-0.2 5,-0.2 0.895 82.7 44.4 -53.9 -44.0 11.9 44.0 -8.2 256 255 A K H > S+ 0 0 121 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.926 114.6 47.6 -69.2 -43.0 14.2 45.9 -10.5 257 256 A K H > S+ 0 0 122 -4,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.918 114.4 48.9 -64.4 -37.8 15.0 43.0 -12.7 258 257 A V H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.922 109.1 51.3 -64.8 -45.7 11.3 42.3 -12.8 259 258 A A H <>S+ 0 0 0 -4,-2.7 5,-1.9 -5,-0.3 -1,-0.2 0.847 107.9 55.8 -61.5 -31.4 10.5 45.9 -13.7 260 259 A S H ><5S+ 0 0 86 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.928 107.3 45.8 -68.1 -45.3 13.0 45.6 -16.4 261 260 A V H 3<5S+ 0 0 35 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.672 105.1 61.0 -73.6 -18.9 11.4 42.6 -18.1 262 261 A I T 3<5S- 0 0 25 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.328 114.4-115.1 -89.9 10.8 7.9 44.1 -18.0 263 262 A G T < 5S+ 0 0 73 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.751 72.8 126.4 66.8 26.1 9.1 47.0 -20.1 264 263 A I < - 0 0 40 -5,-1.9 -1,-0.2 9,-0.1 -2,-0.1 -0.835 58.0-111.3-114.2 155.2 8.7 49.7 -17.5 265 264 A S - 0 0 53 -2,-0.3 8,-0.1 -3,-0.1 6,-0.0 -0.402 7.6-156.6 -81.8 160.2 11.2 52.3 -16.2 266 265 A T + 0 0 36 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.027 67.3 105.6-119.8 22.9 12.7 52.4 -12.8 267 266 A N S S+ 0 0 107 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.967 77.4 29.7 -70.2 -54.2 13.5 56.1 -13.1 268 267 A Y > > - 0 0 139 1,-0.1 3,-0.9 -3,-0.0 5,-0.6 -0.853 56.9-146.1-118.7 144.7 10.9 57.7 -10.9 269 268 A N G > 5S+ 0 0 129 -2,-0.3 3,-2.6 1,-0.2 5,-0.1 0.872 99.6 68.6 -68.2 -37.2 9.0 56.6 -7.8 270 269 A T G 3 5S+ 0 0 126 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.556 90.4 60.9 -59.7 -12.0 5.9 58.5 -9.0 271 270 A D G < 5S- 0 0 88 -3,-0.9 -1,-0.3 -6,-0.0 -2,-0.2 0.601 102.5-139.3 -86.6 -14.9 5.5 56.0 -11.8 272 271 A 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301 A A H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.890 111.2 43.7 -64.9 -41.4 -7.3 33.9 1.8 303 302 A A H X S+ 0 0 3 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.931 113.9 52.1 -70.5 -39.8 -8.8 37.0 3.4 304 303 A S H X S+ 0 0 77 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.945 112.3 44.9 -60.0 -48.4 -12.2 35.9 2.3 305 304 A Q H X S+ 0 0 41 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.833 110.5 53.9 -64.5 -37.0 -11.7 32.5 3.8 306 305 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.848 104.1 56.8 -67.3 -32.5 -10.3 33.9 7.0 307 306 A K H X S+ 0 0 97 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.891 104.1 51.6 -65.4 -38.0 -13.4 36.0 7.3 308 307 A R H X S+ 0 0 123 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.921 108.1 54.1 -64.3 -36.8 -15.4 32.9 7.2 309 308 A F H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 3,-0.4 0.946 103.4 54.0 -60.2 -50.6 -13.2 31.7 10.0 310 309 A E H X S+ 0 0 23 -4,-2.5 4,-1.5 1,-0.3 -1,-0.2 0.875 110.4 48.5 -51.8 -40.2 -13.9 34.8 12.1 311 310 A E H X S+ 0 0 102 -4,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.831 109.1 51.3 -71.8 -34.4 -17.6 34.0 11.8 312 311 A Q H < S+ 0 0 81 -4,-1.9 4,-0.3 -3,-0.4 -1,-0.2 0.801 107.0 52.3 -74.4 -31.1 -17.3 30.3 12.7 313 312 A E H ><>S+ 0 0 4 -4,-2.1 5,-2.9 2,-0.2 3,-0.9 0.910 112.2 47.9 -68.5 -40.2 -15.3 31.0 15.9 314 313 A E H ><5S+ 0 0 146 -4,-1.5 3,-2.4 -5,-0.3 -2,-0.2 0.959 108.4 53.1 -62.3 -51.1 -18.1 33.4 16.8 315 314 A E T 3<5S+ 0 0 173 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.545 111.6 48.7 -62.6 -7.6 -20.8 30.8 15.9 316 315 A A T < 5S- 0 0 51 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.276 116.6-111.6-114.9 5.7 -18.9 28.4 18.3 317 316 A G T < 5S+ 0 0 67 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.854 70.4 139.8 66.7 35.5 -18.6 30.9 21.2 318 317 A R < - 0 0 60 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.2 -0.958 53.8-123.9-116.7 125.8 -14.8 31.2 20.9 319 318 A K - 0 0 175 -2,-0.5 2,-0.5 -3,-0.1 -5,-0.0 -0.323 29.6-128.6 -60.3 143.6 -13.0 34.5 21.3 320 319 A L - 0 0 29 2,-0.0 24,-0.6 -10,-0.0 2,-0.3 -0.874 24.6-172.8-104.0 131.0 -10.9 35.4 18.3 321 320 A T B +m 344 0H 8 -2,-0.5 2,-0.3 22,-0.1 24,-0.2 -0.901 14.4 150.6-119.9 146.2 -7.3 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