==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-FEB-05 1YWQ . COMPND 2 MOLECULE: NITROREDUCTASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS ATCC 14579; . AUTHOR MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) . 199 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 74.9 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 . 26 13.1 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 . 13 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 2 0 0 2 1 0 1 1 0 0 0 0 0 0 1 0 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 . 1 2 0 0 0 0 1 1 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 . 1 0 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 85 0, 0.0 4,-1.3 0, 0.0 142,-0.1 0.000 360.0 360.0 360.0 2.4 3.6 8.9 9.8 2 3 A A T 4 + 0 0 37 1,-0.2 140,-0.1 2,-0.2 8,-0.1 0.346 360.0 52.2 -88.3 4.3 6.1 10.4 7.2 3 4 A T T 4 S+ 0 0 142 138,-0.1 -1,-0.2 3,-0.0 139,-0.0 0.621 103.7 58.0-106.2 -29.9 6.2 6.9 5.6 4 5 A T T 4 S+ 0 0 113 137,-0.1 -2,-0.2 2,-0.1 138,-0.1 0.996 98.6 62.7 -60.1 -75.5 2.4 6.8 5.3 5 6 A T S < S- 0 0 38 -4,-1.3 2,-0.1 136,-0.3 136,-0.0 -0.196 84.2-133.0 -55.7 135.3 2.0 10.0 3.3 6 7 A N > - 0 0 85 1,-0.1 4,-1.9 4,-0.0 3,-0.2 -0.369 28.4 -94.8 -86.5 170.3 3.6 9.9 -0.2 7 8 A L H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.926 118.1 50.2 -50.6 -61.6 5.7 12.7 -1.7 8 9 A K H > S+ 0 0 154 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.851 112.2 48.5 -50.1 -41.2 3.2 14.7 -3.6 9 10 A E H > S+ 0 0 89 -3,-0.2 4,-3.0 1,-0.2 5,-0.3 0.889 106.1 57.0 -67.9 -38.9 0.8 14.9 -0.7 10 11 A A H X S+ 0 0 18 -4,-1.9 4,-0.7 -3,-0.3 -1,-0.2 0.865 110.5 45.3 -59.1 -36.5 3.6 16.0 1.6 11 12 A I H < S+ 0 0 87 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.918 119.5 39.1 -71.6 -47.4 4.2 19.0 -0.7 12 13 A V H < S+ 0 0 90 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.761 116.4 48.8 -76.5 -30.0 0.6 20.0 -1.2 13 14 A N H < S+ 0 0 100 -4,-3.0 2,-0.4 -5,-0.2 -1,-0.2 0.578 80.7 104.6 -91.0 -10.7 -0.6 19.4 2.4 14 15 A R < + 0 0 26 -4,-0.7 2,-0.3 -5,-0.3 123,-0.1 -0.604 50.0 164.8 -72.2 123.1 2.1 21.2 4.2 15 16 A R - 0 0 62 -2,-0.4 2,-0.7 121,-0.1 131,-0.4 -0.898 44.8 -93.7-135.0 166.2 0.5 24.5 5.4 16 17 A S - 0 0 19 -2,-0.3 2,-0.7 169,-0.1 169,-0.5 -0.742 36.3-173.1 -85.8 115.1 1.4 27.3 7.8 17 18 A I + 0 0 16 129,-3.1 166,-0.0 -2,-0.7 -1,-0.0 -0.908 5.0 179.3-110.5 102.3 -0.3 26.6 11.2 18 19 A R + 0 0 102 -2,-0.7 2,-0.5 1,-0.1 -1,-0.1 0.483 65.6 59.5 -83.9 -5.4 0.3 29.6 13.3 19 20 A K + 0 0 111 127,-0.1 162,-1.4 71,-0.1 2,-0.4 -0.975 65.4 164.5-126.5 115.3 -1.6 28.4 16.4 20 21 A V E -A 180 0A 1 69,-2.5 2,-0.1 -2,-0.5 159,-0.1 -0.984 16.1-161.9-133.0 143.3 -0.3 25.2 18.0 21 22 A T E -A 179 0A 44 158,-2.8 158,-1.4 -2,-0.4 73,-0.5 -0.316 32.3 -78.6-106.8-166.6 -1.0 23.6 21.4 22 23 A K + 0 0 87 71,-0.2 2,-0.3 156,-0.2 -1,-0.1 -0.560 37.8 172.6 -98.9 162.4 0.8 20.9 23.4 23 24 A N > - 0 0 58 3,-0.2 3,-0.8 -2,-0.2 156,-0.0 -0.862 29.6-144.3-166.1 129.5 0.8 17.1 23.1 24 25 A D T 3 S+ 0 0 158 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.589 97.4 70.4 -76.2 -9.6 2.9 14.6 25.0 25 26 A A T 3 S+ 0 0 53 1,-0.1 2,-1.3 2,-0.1 -1,-0.2 0.792 81.3 80.3 -74.2 -29.6 3.0 12.3 21.8 26 27 A I S < S+ 0 0 11 -3,-0.8 2,-0.2 4,-0.1 -3,-0.2 -0.681 74.4 176.1 -81.7 94.5 5.3 14.9 20.2 27 28 A T > - 0 0 51 -2,-1.3 4,-2.5 1,-0.1 3,-0.4 -0.696 48.5-111.5-107.4 157.0 8.6 13.9 21.8 28 29 A K H > S+ 0 0 150 -2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.805 119.5 56.1 -49.1 -33.6 12.2 15.0 21.6 29 30 A E H > S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 106.4 46.5 -67.5 -49.3 12.9 11.6 20.0 30 31 A R H > S+ 0 0 62 -3,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.905 113.7 49.5 -60.8 -41.4 10.3 12.0 17.2 31 32 A I H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.921 106.0 58.4 -61.5 -43.8 11.7 15.5 16.5 32 33 A E H X S+ 0 0 91 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.911 104.8 49.4 -50.8 -50.4 15.1 14.0 16.5 33 34 A E H X S+ 0 0 98 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.932 108.5 53.1 -57.8 -47.7 14.2 11.6 13.7 34 35 A V H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.911 110.6 46.4 -54.7 -47.3 12.6 14.4 11.6 35 36 A L H X S+ 0 0 21 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.827 109.0 54.8 -66.9 -32.2 15.8 16.5 11.8 36 37 A K H < S+ 0 0 132 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.855 112.9 42.9 -70.5 -33.1 18.0 13.6 10.9 37 38 A T H >< S+ 0 0 78 -4,-2.0 3,-1.9 -5,-0.2 -2,-0.2 0.928 110.4 55.8 -74.9 -45.9 16.0 13.0 7.8 38 39 A A H >< S+ 0 0 0 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.779 91.5 73.1 -57.1 -30.4 15.9 16.7 6.9 39 40 A L T 3< S+ 0 0 105 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.462 78.4 77.3 -67.6 2.5 19.6 16.9 7.0 40 41 A H T < + 0 0 161 -3,-1.9 -1,-0.3 91,-0.1 -2,-0.2 0.518 67.8 110.4 -86.5 -5.6 19.6 15.0 3.7 41 42 A A S < S- 0 0 21 -3,-2.3 2,-0.1 1,-0.1 90,-0.1 -0.424 77.8-107.6 -63.9 144.9 18.7 18.2 2.1 42 43 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 89,-0.1 -0.351 28.7-160.7 -80.3 159.2 21.7 19.4 -0.0 43 44 A T > - 0 0 33 -2,-0.1 3,-2.6 87,-0.1 2,-0.1 -0.962 37.7 -87.8-133.8 149.4 24.1 22.3 0.6 44 45 A S G > S- 0 0 24 79,-0.3 3,-2.4 -2,-0.3 4,-0.1 -0.382 115.7 -4.2 -59.6 129.7 26.5 24.0 -1.9 45 46 A F G 3 S- 0 0 112 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.745 118.6 -84.4 56.1 21.0 29.8 22.1 -2.1 46 47 A N G < S+ 0 0 107 -3,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.826 86.1 151.7 51.6 32.2 28.2 20.0 0.7 47 48 A M < - 0 0 21 -3,-2.4 -1,-0.1 1,-0.1 -2,-0.1 0.702 36.0-157.9 -66.6 -18.5 29.4 22.7 3.0 48 49 A Q + 0 0 114 1,-0.1 -1,-0.1 -4,-0.1 -3,-0.0 0.860 27.3 163.0 41.2 52.5 26.5 21.9 5.4 49 50 A S + 0 0 1 52,-0.1 53,-3.4 56,-0.0 -1,-0.1 0.569 35.5 112.0 -76.7 -7.4 26.7 25.4 7.1 50 51 A G E -B 101 0B 18 51,-0.2 2,-0.3 119,-0.0 51,-0.2 -0.357 45.4-173.1 -69.3 146.0 23.2 24.9 8.5 51 52 A R E -B 100 0B 73 49,-2.3 49,-3.4 -2,-0.1 2,-0.4 -0.999 6.4-159.5-140.7 136.0 22.8 24.6 12.3 52 53 A M E -B 99 0B 40 -2,-0.3 2,-0.5 47,-0.2 47,-0.2 -0.974 7.3-174.2-125.3 130.2 19.6 23.8 14.2 53 54 A V E -B 98 0B 34 45,-2.5 45,-2.4 -2,-0.4 2,-0.5 -0.961 15.3-155.0-120.7 111.0 18.9 24.4 17.9 54 55 A V E -B 97 0B 45 -2,-0.5 2,-0.6 43,-0.2 43,-0.2 -0.765 2.6-159.8 -92.8 124.8 15.6 23.0 19.2 55 56 A L E -B 96 0B 7 41,-3.0 41,-2.6 -2,-0.5 2,-0.3 -0.904 12.9-164.5-104.3 121.7 14.0 24.5 22.2 56 57 A M E >> -B 95 0B 41 -2,-0.6 3,-1.7 39,-0.2 4,-0.8 -0.827 43.5 -54.0-111.9 147.2 11.5 22.3 24.0 57 58 A D H 3> S+ 0 0 76 37,-2.3 4,-2.5 -2,-0.3 5,-0.3 0.075 130.7 32.4 29.4 -97.4 8.8 23.2 26.5 58 59 A G H 3> S+ 0 0 50 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.929 132.3 35.1 -47.3 -53.2 10.5 25.0 29.3 59 60 A E H <> S+ 0 0 77 -3,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.745 112.2 63.0 -74.4 -26.0 13.0 26.6 27.0 60 61 A H H >X S+ 0 0 0 -4,-0.8 4,-1.6 34,-0.2 3,-0.6 0.977 106.4 42.5 -61.7 -56.7 10.5 26.9 24.2 61 62 A E H 3X S+ 0 0 65 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.859 108.1 61.2 -59.8 -36.6 8.3 29.3 26.2 62 63 A K H 3X S+ 0 0 89 -4,-1.3 4,-1.6 -5,-0.3 -1,-0.2 0.875 103.3 51.3 -58.8 -38.6 11.3 31.2 27.5 63 64 A F H X S+ 0 0 15 -4,-2.4 4,-1.5 1,-0.2 3,-0.7 0.830 102.5 63.8 -73.2 -32.6 8.9 43.8 21.1 72 73 A R H 3< S+ 0 0 113 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.802 105.9 44.7 -61.4 -28.8 7.8 45.5 24.3 73 74 A A H 3< S+ 0 0 90 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.610 117.5 43.2 -91.4 -12.4 10.8 47.8 24.1 74 75 A R H << S+ 0 0 156 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.1 0.512 101.9 74.0-110.6 -6.6 10.6 48.5 20.4 75 76 A V S < S- 0 0 29 -4,-1.5 5,-0.1 -5,-0.1 -1,-0.0 -0.909 82.7-109.8-116.7 136.2 6.8 49.1 20.0 76 77 A P >> - 0 0 70 0, 0.0 3,-1.9 0, 0.0 4,-1.2 -0.221 36.7-109.6 -56.0 146.7 4.7 52.1 21.0 77 78 A A H >> S+ 0 0 92 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.844 115.4 57.5 -46.1 -45.9 2.3 51.5 23.9 78 79 A E H 34 S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.695 113.4 38.4 -62.5 -21.9 -0.8 51.6 21.7 79 80 A N H <> S+ 0 0 79 -3,-1.9 4,-2.4 2,-0.1 -1,-0.2 0.553 89.6 92.5-107.6 -11.0 0.4 48.8 19.4 80 81 A F H X S+ 0 0 5 -4,-2.2 3,-0.7 -5,-0.2 4,-0.5 0.433 88.3 94.8 -94.5 0.8 2.4 40.4 20.5 85 86 A E G >< S+ 0 0 98 -4,-0.6 3,-1.4 -3,-0.3 4,-0.5 0.913 83.7 51.9 -56.5 -45.9 -1.0 38.8 20.1 86 87 A R G >4 S+ 0 0 97 -4,-0.4 3,-0.5 -3,-0.3 4,-0.5 0.749 94.1 73.1 -64.2 -24.7 0.3 36.3 17.5 87 88 A L G X> S+ 0 0 6 -3,-0.7 4,-2.8 1,-0.2 3,-0.8 0.761 84.9 68.9 -62.2 -24.2 3.1 35.2 19.9 88 89 A K H - C 0 169B 17 -53,-3.4 4,-1.4 -2,-0.4 3,-0.3 -0.616 22.4-170.9 -73.2 105.5 27.6 29.0 10.3 103 104 A Q H > S+ 0 0 57 65,-3.7 4,-2.5 -2,-0.9 5,-0.2 0.760 81.2 62.6 -70.2 -27.4 29.2 32.1 8.8 104 105 A A H > S+ 0 0 38 64,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.882 104.4 50.2 -65.4 -34.9 32.7 30.9 9.4 105 106 A T H > S+ 0 0 31 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.917 110.0 48.4 -67.1 -47.0 31.9 28.0 7.0 106 107 A V H X S+ 0 0 2 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.945 112.5 49.7 -58.7 -48.7 30.6 30.3 4.3 107 108 A E H X S+ 0 0 102 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.851 111.6 48.2 -59.8 -38.4 33.7 32.5 4.7 108 109 A K H >X S+ 0 0 103 -4,-1.9 4,-2.5 1,-0.2 3,-0.9 0.915 109.3 51.7 -70.5 -41.7 36.0 29.6 4.4 109 110 A M H 3X S+ 0 0 27 -4,-2.6 4,-2.5 1,-0.3 -2,-0.2 0.810 103.7 59.6 -63.6 -28.4 34.3 28.2 1.3 110 111 A Q H 3< S+ 0 0 56 -4,-1.7 -1,-0.3 -5,-0.2 7,-0.2 0.766 109.1 45.0 -69.2 -25.4 34.6 31.7 -0.2 111 112 A E H << S+ 0 0 123 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.894 114.4 45.7 -83.4 -44.5 38.3 31.2 0.2 112 113 A N H < S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.838 126.3 30.2 -68.4 -34.4 38.5 27.7 -1.1 113 114 A A >< + 0 0 14 -4,-2.5 3,-3.2 -5,-0.2 -1,-0.3 -0.448 67.4 165.0-125.2 61.7 36.3 28.4 -4.1 114 115 A P G > S+ 0 0 66 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.691 70.9 73.2 -48.6 -23.1 37.0 32.1 -4.9 115 116 A L G 3 S+ 0 0 154 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.670 109.9 29.8 -67.7 -16.2 35.3 31.5 -8.3 116 117 A Y G X> S+ 0 0 104 -3,-3.2 3,-1.9 -7,-0.2 4,-1.8 0.168 81.9 124.5-126.9 15.1 32.0 31.4 -6.5 117 118 A K T <4 S+ 0 0 102 -3,-0.9 -2,-0.1 1,-0.3 -7,-0.1 0.755 76.1 49.9 -47.3 -34.1 32.9 33.8 -3.6 118 119 A D T 34 S+ 0 0 113 -4,-0.2 -1,-0.3 1,-0.2 4,-0.3 0.697 110.4 49.8 -81.5 -20.3 29.9 36.0 -4.4 119 120 A Q T X> S+ 0 0 93 -3,-1.9 4,-2.6 1,-0.1 3,-1.6 0.829 90.6 76.1 -88.1 -32.8 27.4 33.2 -4.5 120 121 A F H 3X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.3 -1,-0.1 0.793 89.9 57.7 -48.2 -39.1 28.2 31.4 -1.2 121 122 A P H 3> S+ 0 0 50 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.847 114.8 38.4 -63.0 -32.0 26.5 34.1 0.9 122 123 A F H <> S+ 0 0 138 -3,-1.6 4,-2.4 -4,-0.3 -2,-0.2 0.838 111.2 56.0 -85.0 -38.7 23.3 33.3 -1.0 123 124 A W H X S+ 0 0 46 -4,-2.6 4,-3.0 1,-0.2 -79,-0.3 0.743 101.7 62.4 -63.6 -23.5 23.8 29.6 -1.3 124 125 A S H X S+ 0 0 1 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.2 0.942 107.6 40.3 -65.6 -50.0 24.0 29.8 2.5 125 126 A H H X S+ 0 0 117 -4,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.853 115.4 53.1 -67.9 -35.2 20.4 31.1 2.6 126 127 A Q H X S+ 0 0 96 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.958 109.3 47.3 -64.9 -50.5 19.4 28.6 -0.1 127 128 A G H X S+ 0 0 6 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.891 113.4 48.1 -58.3 -41.6 20.7 25.6 1.7 128 129 A N H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.836 110.8 52.0 -69.3 -32.9 19.1 26.7 5.0 129 130 A A H X S+ 0 0 47 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.915 107.3 51.1 -68.8 -45.3 15.8 27.3 3.2 130 131 A M H X S+ 0 0 92 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.910 114.2 46.0 -57.8 -42.2 15.8 23.8 1.6 131 132 A L H X S+ 0 0 10 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.919 111.6 50.6 -66.3 -46.1 16.5 22.4 5.1 132 133 A Q H X S+ 0 0 14 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.931 112.0 48.0 -57.3 -48.3 13.8 24.5 6.7 133 134 A H H X S+ 0 0 76 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.860 109.5 52.3 -62.7 -39.2 11.2 23.5 4.1 134 135 A T H X S+ 0 0 35 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.942 110.4 47.4 -63.3 -48.2 12.1 19.8 4.5 135 136 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.925 111.3 53.5 -56.7 -45.5 11.6 19.9 8.3 136 137 A W H X S+ 0 0 25 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.928 111.1 44.1 -55.5 -51.2 8.4 21.7 7.7 137 138 A M H X S+ 0 0 32 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.879 113.0 51.9 -62.8 -41.9 7.0 19.0 5.4 138 139 A L H X S+ 0 0 27 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.912 109.8 48.8 -62.4 -45.2 8.2 16.2 7.6 139 140 A L H ><>S+ 0 0 2 -4,-2.7 5,-2.5 1,-0.2 3,-0.9 0.948 113.0 47.0 -60.7 -49.6 6.5 17.7 10.7 140 141 A S H ><5S+ 0 0 32 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.873 106.2 58.6 -60.5 -37.0 3.2 18.2 8.8 141 142 A A H 3<5S+ 0 0 13 -4,-2.3 -136,-0.3 1,-0.3 -1,-0.3 0.796 107.0 49.6 -62.0 -26.6 3.5 14.6 7.4 142 143 A E T <<5S- 0 0 31 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.167 125.1-103.8 -97.2 16.1 3.5 13.5 11.0 143 144 A G T < 5S+ 0 0 46 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.735 76.9 137.7 70.3 23.5 0.4 15.6 11.9 144 145 A I < - 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