==== 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 FLAVOENZYME 20-NOV-96 1NOX . COMPND 2 MOLECULE: NADH OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.J.HECHT,H.ERDMANN,H.J.PARK,M.SPRINZL,R.D.SCHMID . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 65.5 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 . 23 11.5 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 . 8 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 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 0 0 0 1 2 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 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 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 6 A P 0 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 57.6 3.9 36.6 17.3 2 7 A V - 0 0 79 1,-0.1 143,-0.2 143,-0.1 142,-0.1 -0.197 360.0-113.3 -53.2 131.4 2.9 35.5 20.9 3 8 A L - 0 0 64 141,-2.0 -1,-0.1 138,-0.1 141,-0.1 -0.256 28.6 -98.5 -67.6 155.2 3.9 31.9 21.4 4 9 A D > - 0 0 88 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.328 37.9-113.6 -66.5 154.1 1.4 29.1 22.0 5 10 A A H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.823 112.2 53.9 -67.3 -32.8 1.0 28.2 25.6 6 11 A K H > S+ 0 0 151 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.960 109.7 46.9 -67.1 -45.3 2.6 24.7 25.4 7 12 A T H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.927 111.7 53.1 -61.5 -38.9 5.8 26.0 23.8 8 13 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.933 110.9 44.7 -61.0 -45.3 6.0 28.7 26.4 9 14 A A H < S+ 0 0 57 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.901 115.9 47.0 -67.0 -41.8 5.7 26.4 29.3 10 15 A L H < S+ 0 0 134 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 116.4 41.9 -71.8 -27.8 8.2 23.9 27.9 11 16 A K H < S+ 0 0 139 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.671 83.8 116.8 -93.4 -16.0 10.9 26.4 26.9 12 17 A R < + 0 0 51 -4,-1.5 2,-0.3 -5,-0.2 136,-0.1 -0.265 30.0 165.8 -62.5 135.1 11.0 28.7 29.9 13 18 A R - 0 0 100 171,-0.1 136,-0.4 174,-0.1 2,-0.1 -0.965 44.5 -98.5-130.9 152.3 14.1 29.0 32.0 14 19 A S - 0 0 26 -2,-0.3 2,-0.4 172,-0.2 172,-0.4 -0.457 37.3-149.7 -71.0 141.8 14.8 31.8 34.5 15 20 A I + 0 0 10 134,-2.2 162,-0.1 162,-0.2 3,-0.1 -0.963 24.3 172.0-117.8 134.9 17.0 34.6 33.1 16 21 A R + 0 0 99 -2,-0.4 2,-0.4 1,-0.1 57,-0.1 0.244 64.5 65.2-126.8 5.9 19.4 36.6 35.3 17 22 A R - 0 0 159 166,-0.1 165,-2.5 162,-0.1 166,-0.4 -1.000 66.4-174.0-131.5 129.9 21.3 38.6 32.7 18 23 A Y B -A 181 0A 14 -2,-0.4 2,-0.1 163,-0.3 -2,-0.0 -0.891 26.4-110.1-130.2 155.6 19.6 41.2 30.5 19 24 A R - 0 0 115 161,-2.5 161,-0.2 -2,-0.3 163,-0.1 -0.266 34.6-117.0 -70.2 165.9 20.2 43.6 27.6 20 25 A K S S+ 0 0 181 159,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.491 76.5 118.0 -86.3 1.7 20.2 47.3 28.3 21 26 A D - 0 0 73 1,-0.1 159,-0.4 159,-0.1 -2,-0.1 -0.426 66.7-119.1 -68.8 136.4 17.2 48.0 26.1 22 27 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 157,-0.1 -0.376 18.2-120.8 -70.8 156.2 14.1 49.4 27.9 23 28 A V - 0 0 13 155,-0.1 5,-0.0 -2,-0.1 155,-0.0 -0.878 34.6-118.9 -97.8 119.2 10.8 47.6 28.0 24 29 A P > - 0 0 69 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.267 11.8-131.9 -59.5 138.9 8.2 49.9 26.4 25 30 A E H > S+ 0 0 129 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.857 105.9 57.9 -63.1 -36.3 5.3 50.8 28.8 26 31 A G H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.861 107.5 46.9 -59.9 -38.4 2.7 49.9 26.2 27 32 A L H > S+ 0 0 43 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.928 111.9 50.2 -70.3 -46.4 4.0 46.3 25.9 28 33 A L H X S+ 0 0 8 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.887 109.1 52.4 -58.1 -43.5 4.1 45.9 29.7 29 34 A R H X S+ 0 0 173 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.936 107.7 51.1 -63.6 -38.1 0.6 47.2 30.0 30 35 A E H X S+ 0 0 101 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.893 112.7 46.7 -64.2 -42.8 -0.7 44.6 27.4 31 36 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.925 113.3 47.4 -64.1 -47.0 1.0 41.8 29.4 32 37 A L H X S+ 0 0 24 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.894 107.7 56.2 -63.7 -35.0 -0.3 42.9 32.7 33 38 A E H < S+ 0 0 117 -4,-2.5 4,-0.2 -5,-0.2 -1,-0.2 0.903 111.1 44.6 -63.5 -34.8 -3.9 43.3 31.4 34 39 A A H >< S+ 0 0 38 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.902 112.8 50.4 -75.6 -40.0 -3.8 39.7 30.2 35 40 A A H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.870 100.5 63.8 -65.8 -34.3 -2.3 38.4 33.5 36 41 A L T 3< S+ 0 0 71 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.556 84.6 76.1 -69.4 -5.1 -4.8 40.2 35.6 37 42 A R T < + 0 0 211 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.474 69.8 125.4 -80.4 5.7 -7.6 38.0 34.1 38 43 A A < - 0 0 4 -3,-2.0 2,-0.1 1,-0.1 96,-0.1 -0.198 64.0-116.6 -60.9 148.6 -6.3 35.2 36.4 39 44 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.440 32.5-177.5 -82.4 156.5 -9.0 33.6 38.5 40 45 A S > - 0 0 18 -2,-0.1 3,-2.3 93,-0.1 90,-0.0 -0.972 41.4 -76.4-149.9 155.5 -9.1 33.7 42.3 41 46 A A G > S- 0 0 43 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 -0.335 118.8 -4.0 -58.2 130.7 -11.4 32.3 45.0 42 47 A W G 3 S- 0 0 140 1,-0.3 -1,-0.3 2,-0.1 69,-0.0 0.612 115.5 -86.0 59.6 18.8 -14.6 34.4 45.2 43 48 A N G < S+ 0 0 66 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.747 86.3 147.9 53.9 31.4 -13.0 36.8 42.5 44 49 A L < - 0 0 2 -3,-2.0 -2,-0.1 1,-0.1 -1,-0.1 0.747 32.5-165.7 -72.7 -27.5 -11.4 38.6 45.5 45 50 A Q + 0 0 62 -4,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.893 13.0 175.3 46.1 61.5 -8.2 39.5 43.5 46 51 A P + 0 0 0 0, 0.0 37,-2.7 0, 0.0 -1,-0.1 0.520 39.7 113.1 -82.1 5.5 -6.1 40.5 46.6 47 52 A W E -B 82 0B 10 35,-0.2 2,-0.3 83,-0.1 35,-0.2 -0.416 41.6-178.1 -81.6 145.9 -3.0 41.0 44.4 48 53 A R E -B 81 0B 60 33,-2.5 33,-2.6 -2,-0.1 2,-0.4 -0.971 9.8-152.6-142.6 144.4 -1.4 44.5 43.9 49 54 A I E -B 80 0B 51 -2,-0.3 2,-0.5 31,-0.2 31,-0.2 -0.986 9.8-163.4-128.8 135.7 1.7 45.3 41.7 50 55 A V E -B 79 0B 41 29,-2.3 29,-2.6 -2,-0.4 2,-0.7 -0.964 15.0-150.6-111.6 127.2 4.3 48.0 41.9 51 56 A V E -B 78 0B 50 -2,-0.5 2,-0.6 27,-0.2 27,-0.2 -0.872 15.9-161.9 -94.0 110.7 6.3 48.5 38.6 52 57 A V E +B 77 0B 8 25,-3.4 25,-2.0 -2,-0.7 -2,-0.0 -0.842 33.7 143.8-104.2 120.9 9.8 49.7 39.5 53 58 A R + 0 0 116 -2,-0.6 -1,-0.2 23,-0.2 25,-0.0 0.647 38.1 112.0-121.4 -18.5 11.9 51.4 36.9 54 59 A D > - 0 0 84 1,-0.1 4,-2.4 2,-0.1 5,-0.2 -0.295 62.2-142.6 -61.8 126.8 13.7 54.1 39.0 55 60 A P H > S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.881 97.4 50.8 -58.1 -42.5 17.4 53.3 39.3 56 61 A A H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.903 111.7 47.9 -66.2 -37.3 17.8 54.5 42.9 57 62 A T H > S+ 0 0 37 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 110.1 52.4 -69.4 -38.9 14.8 52.4 44.0 58 63 A K H X S+ 0 0 20 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.904 108.1 51.9 -62.8 -37.9 16.2 49.4 42.2 59 64 A R H X S+ 0 0 177 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.937 109.7 48.9 -64.4 -39.7 19.5 49.8 44.0 60 65 A A H X S+ 0 0 33 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.913 110.8 50.4 -64.8 -41.1 17.8 50.0 47.3 61 66 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.855 103.1 60.6 -67.9 -29.9 15.8 46.8 46.5 62 67 A R H <>S+ 0 0 79 -4,-2.2 5,-2.4 2,-0.2 6,-0.5 0.939 106.0 47.1 -61.8 -42.7 19.1 45.0 45.5 63 68 A E H ><5S+ 0 0 136 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.931 110.3 52.4 -64.2 -38.7 20.3 45.5 49.0 64 69 A A H 3<5S+ 0 0 1 -4,-1.7 92,-2.2 1,-0.3 -1,-0.2 0.799 105.4 57.0 -66.7 -24.3 17.0 44.3 50.4 65 70 A A T ><5S- 0 0 0 -4,-1.8 3,-1.7 90,-0.3 -1,-0.3 -0.119 125.6-100.0 -98.9 34.1 17.4 41.2 48.2 66 71 A F T < 5S- 0 0 135 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.788 76.6 -55.7 56.0 32.5 20.8 40.3 49.8 67 72 A G T 3 > S+ 0 0 32 -2,-0.3 4,-2.0 1,-0.3 3,-1.1 0.794 86.4 68.2 -65.9 -29.6 22.7 41.7 41.0 70 75 A H H 3> S+ 0 0 18 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.708 88.5 67.9 -65.1 -17.4 19.8 41.1 38.6 71 76 A V H <4 S+ 0 0 0 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.848 110.8 33.7 -67.8 -37.9 17.5 43.4 40.7 72 77 A E H <4 S+ 0 0 65 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.845 119.3 50.5 -84.1 -34.9 19.6 46.4 39.7 73 78 A E H < S+ 0 0 88 -4,-2.0 -2,-0.2 -57,-0.1 -3,-0.2 0.776 88.7 90.3 -74.7 -32.6 20.6 45.3 36.2 74 79 A A S < S- 0 0 0 -4,-1.8 105,-0.1 -5,-0.2 -54,-0.1 -0.493 76.9-133.0 -66.4 147.0 17.1 44.4 34.9 75 80 A P S S+ 0 0 25 0, 0.0 2,-0.4 0, 0.0 104,-0.2 0.792 90.3 29.7 -66.2 -28.8 15.2 47.3 33.3 76 81 A V E - C 0 178B 2 102,-1.5 102,-2.1 -54,-0.0 2,-0.4 -0.992 60.0-170.9-137.1 133.7 12.0 46.5 35.3 77 82 A V E -BC 52 177B 0 -25,-2.0 -25,-3.4 -2,-0.4 2,-0.4 -0.999 13.9-155.1-120.1 126.4 11.4 45.0 38.7 78 83 A L E -BC 51 176B 2 98,-2.9 98,-2.6 -2,-0.4 2,-0.6 -0.846 2.0-154.3 -98.1 132.8 7.8 44.1 39.6 79 84 A V E -BC 50 175B 0 -29,-2.6 -29,-2.3 -2,-0.4 2,-0.7 -0.956 8.8-161.3-103.2 113.4 6.9 44.0 43.3 80 85 A L E +BC 49 174B 7 94,-2.5 94,-1.3 -2,-0.6 2,-0.3 -0.885 18.8 171.1 -94.5 112.1 3.9 41.6 43.8 81 86 A Y E -B 48 0B 43 -33,-2.6 -33,-2.5 -2,-0.7 2,-0.5 -0.805 25.3-138.6-119.5 162.7 2.2 42.3 47.1 82 87 A A E -BC 47 171B 2 89,-2.7 89,-1.7 -2,-0.3 2,-0.5 -0.992 15.2-177.8-122.7 130.4 -1.1 41.0 48.6 83 88 A D > + 0 0 6 -37,-2.7 4,-1.8 -2,-0.5 5,-0.1 -0.809 7.5 171.6-129.8 84.6 -3.5 43.3 50.6 84 89 A L H > S+ 0 0 4 -2,-0.5 4,-2.5 85,-0.3 5,-0.2 0.895 80.0 55.8 -61.5 -38.5 -6.4 41.3 51.9 85 90 A E H > S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.877 105.8 50.9 -64.3 -37.6 -7.7 44.2 54.0 86 91 A D H > S+ 0 0 48 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.910 111.2 49.8 -64.4 -40.0 -7.9 46.5 50.9 87 92 A A H >< S+ 0 0 5 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.944 111.1 48.0 -62.4 -43.8 -9.8 43.8 49.1 88 93 A L H >< S+ 0 0 16 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.725 106.6 56.8 -71.7 -21.9 -12.3 43.4 51.9 89 94 A A H 3< S+ 0 0 76 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.552 114.4 39.8 -81.4 -15.4 -12.9 47.2 52.3 90 95 A H T X< + 0 0 82 -3,-0.9 3,-1.7 -4,-0.7 4,-0.4 -0.220 68.8 141.8-123.7 43.6 -13.9 47.4 48.6 91 96 A L G X> + 0 0 6 -3,-0.6 4,-1.4 1,-0.3 3,-1.4 0.793 65.4 68.2 -61.6 -25.0 -16.0 44.2 48.2 92 97 A D G 34 S+ 0 0 82 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.800 91.9 62.8 -65.9 -24.6 -18.6 45.9 45.9 93 98 A E G <4 S+ 0 0 147 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.691 110.9 35.7 -70.5 -22.1 -15.8 46.2 43.3 94 99 A V T <4 S+ 0 0 17 -3,-1.4 2,-0.2 -4,-0.4 -2,-0.2 0.576 90.7 98.8-109.8 -15.0 -15.5 42.4 42.9 95 100 A I S < S- 0 0 10 -4,-1.4 -52,-0.1 1,-0.1 9,-0.0 -0.553 91.4 -90.5 -68.1 136.6 -19.1 41.1 43.4 96 101 A H > - 0 0 115 -2,-0.2 3,-1.2 1,-0.1 -1,-0.1 -0.172 30.2-128.9 -51.4 136.1 -20.8 40.4 40.0 97 102 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.726 107.6 54.1 -60.4 -24.7 -22.6 43.5 38.6 98 103 A G T 3 S+ 0 0 72 1,-0.1 2,-1.2 2,-0.1 -2,-0.1 0.719 89.3 83.7 -81.8 -24.2 -25.8 41.5 38.0 99 104 A V < + 0 0 31 -3,-1.2 2,-0.2 4,-0.1 -1,-0.1 -0.690 67.7 145.9 -83.0 93.1 -25.9 40.3 41.7 100 105 A Q > + 0 0 130 -2,-1.2 3,-1.2 4,-0.1 2,-0.3 -0.628 33.6 22.2-122.9-179.5 -27.6 43.2 43.4 101 106 A G T 3> S- 0 0 68 1,-0.2 4,-0.9 -2,-0.2 -2,-0.0 -0.439 124.4 -6.3 68.9-122.2 -29.9 44.1 46.2 102 107 A E H 3> S+ 0 0 156 -2,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.746 130.4 61.9 -80.4 -25.7 -30.2 41.5 49.0 103 108 A R H <> S+ 0 0 191 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.889 99.8 55.9 -68.0 -38.8 -28.1 38.9 47.2 104 109 A R H > S+ 0 0 42 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.937 106.2 50.5 -58.8 -46.8 -25.1 41.2 47.3 105 110 A E H X S+ 0 0 80 -4,-0.9 4,-2.6 1,-0.2 5,-0.2 0.884 107.9 51.5 -61.4 -43.0 -25.3 41.6 51.1 106 111 A A H X S+ 0 0 61 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.868 112.6 46.3 -64.2 -36.7 -25.5 37.8 51.8 107 112 A Q H X S+ 0 0 73 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.927 112.9 49.7 -68.2 -48.0 -22.4 37.3 49.7 108 113 A K H X S+ 0 0 47 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.866 111.0 49.1 -59.9 -38.3 -20.5 40.2 51.3 109 114 A Q H X S+ 0 0 86 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.877 108.2 53.0 -71.0 -35.4 -21.3 38.9 54.9 110 115 A A H X S+ 0 0 44 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.932 112.4 45.8 -63.0 -41.0 -20.2 35.4 54.2 111 116 A I H X S+ 0 0 5 -4,-1.9 4,-1.5 2,-0.2 5,-0.2 0.950 114.1 46.8 -68.4 -46.7 -16.9 36.7 52.9 112 117 A Q H X S+ 0 0 85 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.925 111.6 52.3 -64.0 -38.8 -16.4 39.1 55.8 113 118 A R H X S+ 0 0 155 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.915 104.8 55.1 -62.9 -40.7 -17.3 36.4 58.4 114 119 A A H < S+ 0 0 41 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.901 115.3 38.5 -60.4 -39.3 -14.8 33.9 57.0 115 120 A F H >< S+ 0 0 5 -4,-1.5 3,-1.7 1,-0.2 -2,-0.2 0.797 103.3 67.4 -87.9 -20.0 -11.9 36.4 57.4 116 121 A A H 3< S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.867 99.2 55.5 -68.5 -27.4 -13.0 37.9 60.7 117 122 A A T 3< S+ 0 0 94 -4,-1.1 2,-0.4 -5,-0.2 -1,-0.3 0.281 95.8 84.2 -84.9 7.4 -12.2 34.5 62.3 118 123 A M S < S- 0 0 51 -3,-1.7 -3,-0.0 1,-0.0 -4,-0.0 -0.914 73.4-124.8-114.8 145.4 -8.6 34.3 61.0 119 124 A G > - 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