==== 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 26-MAR-04 1SU7 . COMPND 2 MOLECULE: CARBON MONOXIDE DEHYDROGENASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: CARBOXYDOTHERMUS HYDROGENOFORMANS; . AUTHOR H.DOBBEK,V.SVETLITCHNYI,J.LISS,O.MEYER . 633 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 485 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 1.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 36 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.4 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 1 2 0 2 4 1 3 1 4 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 2 1 5 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 0 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 4 A Q >> 0 0 44 0, 0.0 4,-2.4 0, 0.0 3,-1.6 0.000 360.0 360.0 360.0 -13.4 56.9 -8.8 58.9 2 5 A N T 34 + 0 0 103 1,-0.3 9,-0.0 2,-0.2 6,-0.0 0.626 360.0 65.3 -73.6 -5.8 60.3 -7.5 57.7 3 6 A L T 34 S+ 0 0 144 1,-0.1 -1,-0.3 446,-0.1 3,-0.1 0.753 110.4 38.5 -77.6 -18.1 59.3 -8.8 54.3 4 7 A K T <4 S+ 0 0 50 -3,-1.6 446,-2.5 1,-0.4 2,-0.4 0.877 133.3 2.4 -92.7 -50.3 56.6 -6.1 54.5 5 8 A S B < -a 450 0A 0 -4,-2.4 -1,-0.4 444,-0.3 446,-0.1 -1.000 46.4-151.1-142.0 142.4 58.4 -3.3 56.1 6 9 A T S S+ 0 0 35 444,-2.2 2,-0.6 -2,-0.4 445,-0.1 0.476 74.8 101.8 -84.7 -2.1 61.9 -2.8 57.3 7 10 A D > - 0 0 1 1,-0.1 4,-2.5 443,-0.1 5,-0.2 -0.746 64.8-152.5 -85.3 120.1 60.6 -0.4 59.9 8 11 A R H > S+ 0 0 163 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.797 94.5 53.7 -66.6 -27.6 60.5 -2.1 63.3 9 12 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 110.1 48.3 -71.1 -39.8 57.7 -0.0 64.6 10 13 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.921 109.1 53.8 -62.3 -43.8 55.6 -0.9 61.5 11 14 A Q H X S+ 0 0 28 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.925 107.7 50.6 -57.5 -42.2 56.5 -4.6 62.0 12 15 A Q H X S+ 0 0 63 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.915 112.1 46.7 -63.5 -40.1 55.3 -4.4 65.6 13 16 A M H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.855 106.6 57.7 -70.6 -30.3 52.0 -2.9 64.5 14 17 A L H X S+ 0 0 5 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.894 106.3 50.5 -64.8 -36.7 51.7 -5.5 61.7 15 18 A D H X S+ 0 0 78 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.930 111.6 47.4 -64.3 -40.0 51.8 -8.1 64.4 16 19 A K H X S+ 0 0 21 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.937 112.4 49.1 -67.2 -42.7 49.1 -6.2 66.4 17 20 A A H X>S+ 0 0 1 -4,-3.1 5,-2.4 1,-0.2 4,-0.8 0.911 111.0 51.9 -62.1 -41.1 46.9 -5.9 63.3 18 21 A K H ><5S+ 0 0 159 -4,-2.5 3,-1.0 -5,-0.2 -1,-0.2 0.959 110.9 43.9 -62.6 -46.5 47.4 -9.5 62.5 19 22 A R H 3<5S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 116.4 48.6 -76.0 -18.3 46.3 -10.8 65.9 20 23 A E H 3<5S- 0 0 97 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.470 111.3-120.3 -91.1 -2.4 43.4 -8.3 66.0 21 24 A G T <<5 + 0 0 67 -3,-1.0 2,-0.7 -4,-0.8 -3,-0.2 0.792 58.1 152.9 72.0 29.8 42.2 -9.3 62.5 22 25 A I < - 0 0 14 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.2 -0.833 42.2-132.0 -95.2 119.5 42.6 -5.8 61.0 23 26 A Q - 0 0 112 -2,-0.7 2,-0.2 -3,-0.1 315,-0.0 -0.499 27.3-166.7 -72.1 135.7 43.3 -6.0 57.3 24 27 A T > - 0 0 1 -2,-0.2 4,-2.6 -10,-0.0 3,-0.3 -0.615 38.6 -94.4-114.7 172.7 46.2 -3.8 56.1 25 28 A V H > S+ 0 0 20 1,-0.2 4,-2.3 285,-0.2 5,-0.1 0.857 125.4 54.5 -54.3 -37.7 47.5 -2.6 52.8 26 29 A W H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.861 108.0 49.1 -68.1 -35.4 49.9 -5.6 52.8 27 30 A D H > S+ 0 0 62 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.900 110.8 49.8 -67.8 -39.9 47.0 -8.0 53.2 28 31 A R H X S+ 0 0 70 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.876 110.6 51.4 -67.9 -33.5 45.1 -6.3 50.4 29 32 A Y H >X S+ 0 0 47 -4,-2.3 3,-1.3 -5,-0.2 4,-0.7 0.946 108.7 49.7 -63.2 -47.6 48.2 -6.5 48.2 30 33 A E H >< S+ 0 0 114 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.913 108.5 53.8 -57.5 -38.4 48.5 -10.2 48.9 31 34 A A H 3< S+ 0 0 78 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.647 105.8 55.3 -68.3 -16.7 44.8 -10.6 48.1 32 35 A M H << S+ 0 0 119 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.535 87.8 145.8 -90.7 -14.5 45.5 -8.9 44.7 33 36 A K << + 0 0 93 -3,-1.2 2,-0.1 -4,-0.7 3,-0.0 -0.532 51.0 41.0 -78.6 145.7 48.3 -11.3 43.6 34 37 A P S S- 0 0 126 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.527 88.8-153.7 -81.0 142.4 48.9 -12.2 41.0 35 38 A Q - 0 0 61 1,-0.1 2,-0.2 -2,-0.1 -2,-0.1 -0.381 32.0 -81.0 -79.3 160.3 48.4 -8.8 39.5 36 39 A C > - 0 0 77 1,-0.2 4,-2.2 -2,-0.1 -1,-0.1 -0.412 31.4-155.5 -65.4 125.4 47.4 -8.3 35.9 37 40 A G H > S+ 0 0 33 -2,-0.2 4,-1.7 2,-0.2 6,-0.3 0.746 91.7 59.2 -75.0 -22.8 50.3 -8.4 33.6 38 41 A F H >>S+ 0 0 54 2,-0.2 5,-1.6 1,-0.2 4,-0.8 0.967 112.0 39.7 -66.7 -48.9 48.7 -6.3 30.9 39 42 A G H >45S+ 0 0 36 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.903 112.9 55.4 -65.3 -39.6 48.3 -3.5 33.4 40 43 A E H 3<5S+ 0 0 87 -4,-2.2 544,-0.4 1,-0.3 543,-0.2 0.847 114.0 40.8 -60.9 -36.3 51.7 -4.0 34.9 41 44 A T H 3<5S- 0 0 19 -4,-1.7 544,-2.6 541,-0.2 -1,-0.3 0.513 115.1-113.5 -89.1 -7.3 53.4 -3.8 31.5 42 45 A G T <<5S+ 0 0 11 -4,-0.8 2,-1.3 -3,-0.8 -3,-0.2 0.438 77.5 129.6 89.1 -0.5 51.2 -0.9 30.3 43 46 A L < + 0 0 1 -5,-1.6 12,-1.7 -6,-0.3 2,-0.3 -0.310 45.3 89.4 -91.5 58.1 49.5 -3.0 27.6 44 47 A C E -B 54 0B 50 -2,-1.3 2,-0.4 10,-0.2 10,-0.2 -0.989 50.3-172.9-147.6 139.5 46.0 -2.2 28.5 45 48 A C E +B 53 0B 13 8,-2.9 8,-3.1 -2,-0.3 3,-0.1 -0.996 18.3 167.7-135.9 133.7 43.7 0.6 27.3 46 49 A R + 0 0 194 -2,-0.4 -1,-0.1 6,-0.2 8,-0.0 -0.120 40.0 125.1-127.5 32.1 40.3 1.6 28.5 47 50 A H S S+ 0 0 44 147,-0.1 149,-0.6 6,-0.1 2,-0.3 0.529 74.9 23.7 -78.0 -4.2 40.1 4.9 26.8 48 51 A C S > S- 0 0 45 147,-0.1 3,-1.5 -3,-0.1 -3,-0.0 -0.966 85.0-103.1-148.4 174.8 36.9 4.1 25.0 49 52 A L T 3 S+ 0 0 179 -2,-0.3 -2,-0.0 1,-0.3 -3,-0.0 0.371 111.4 72.0 -84.1 6.6 33.9 1.9 25.3 50 53 A Q T 3 S+ 0 0 114 3,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.648 101.2 92.8 -83.4 -16.3 35.2 -0.5 22.7 51 54 A G < + 0 0 23 -3,-1.5 2,-0.2 2,-0.1 -5,-0.1 -0.043 18.0 121.9 -79.0-173.9 37.7 -1.5 25.2 52 55 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 0.377 58.9-178.8 -73.8 141.4 39.1 -2.8 27.3 53 56 A C E +B 45 0B 18 -8,-3.1 -8,-2.9 -2,-0.2 2,-0.3 -0.879 4.2 175.8-106.0 145.3 41.9 -3.5 24.9 54 57 A R E -B 44 0B 118 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.946 17.6-147.8-142.1 163.4 45.0 -5.3 25.8 55 58 A I - 0 0 7 -12,-1.7 8,-0.2 -2,-0.3 -12,-0.1 -1.000 24.6-118.5-132.7 128.7 48.1 -6.4 24.0 56 59 A N - 0 0 45 6,-2.6 3,-0.1 -2,-0.4 -18,-0.0 -0.568 16.6-138.9 -62.5 130.0 50.0 -9.5 24.8 57 60 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.913 88.2 3.1 -51.4 -43.5 53.6 -8.5 25.7 58 61 A F S S+ 0 0 189 -3,-0.0 2,-0.4 3,-0.0 527,-0.0 -0.979 109.8 31.8-142.0 153.5 54.6 -11.5 23.6 59 62 A G S S- 0 0 59 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.0 -0.887 90.6 -22.0 113.4-136.9 53.0 -14.2 21.5 60 63 A D S S+ 0 0 125 -2,-0.4 -4,-0.3 1,-0.3 -2,-0.0 -0.112 85.4 4.9-106.4-163.5 50.0 -14.0 19.4 61 64 A E S S+ 0 0 158 -6,-0.1 -1,-0.3 2,-0.1 2,-0.1 -0.249 90.4 64.4 -64.8 153.8 46.9 -11.8 19.3 62 65 A P + 0 0 32 0, 0.0 -6,-2.6 0, 0.0 3,-0.1 0.343 61.5 148.1 -74.9 140.9 45.8 -9.4 20.5 63 66 A K + 0 0 125 1,-0.3 8,-0.4 -8,-0.2 2,-0.3 0.511 63.9 25.4-112.3 -16.1 48.7 -7.4 19.1 64 67 A V S S- 0 0 72 -10,-0.2 -1,-0.3 6,-0.1 6,-0.2 -0.980 86.1 -95.6-151.1 150.2 47.0 -4.0 18.6 65 68 A G > - 0 0 5 4,-3.2 3,-1.9 -2,-0.3 -2,-0.1 -0.263 42.5-104.3 -65.4 162.2 44.1 -2.1 20.1 66 69 A I T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.2 -15,-0.0 0.884 123.2 47.3 -61.1 -37.9 40.7 -2.2 18.4 67 70 A C T 3 S- 0 0 61 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.514 129.5 -95.1 -79.8 -2.7 41.1 1.2 17.0 68 71 A G S < S+ 0 0 43 -3,-1.9 2,-0.2 1,-0.3 -2,-0.2 0.380 70.6 157.2 101.2 4.9 44.6 0.4 15.7 69 72 A A - 0 0 7 -5,-0.1 -4,-3.2 1,-0.1 -1,-0.3 -0.420 33.4-141.3 -66.2 125.7 46.5 1.8 18.8 70 73 A T > - 0 0 58 -2,-0.2 4,-3.0 -6,-0.2 5,-0.3 -0.281 23.9-100.9 -81.0 171.7 49.8 0.1 18.9 71 74 A A H > S+ 0 0 25 -8,-0.4 4,-2.8 1,-0.2 5,-0.3 0.904 124.1 51.3 -58.5 -41.3 51.6 -1.0 22.1 72 75 A E H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 112.0 46.9 -70.0 -35.4 53.8 2.0 22.0 73 76 A V H > S+ 0 0 5 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.943 113.9 47.2 -63.7 -49.7 50.8 4.3 21.6 74 77 A I H X S+ 0 0 4 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.949 114.7 46.5 -61.0 -43.2 48.9 2.6 24.4 75 78 A V H X S+ 0 0 1 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.928 114.8 46.5 -63.5 -45.5 51.9 2.6 26.7 76 79 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.891 111.9 51.2 -66.6 -36.4 52.7 6.2 26.0 77 80 A R H X S+ 0 0 9 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.914 110.7 47.7 -67.0 -43.3 49.1 7.3 26.4 78 81 A G H X S+ 0 0 31 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.921 113.2 48.5 -63.5 -43.1 48.7 5.7 29.8 79 82 A L H X S+ 0 0 10 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.935 109.6 52.3 -62.2 -43.8 52.0 7.2 31.0 80 83 A D H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.908 107.5 51.4 -59.9 -43.2 51.0 10.6 29.8 81 84 A R H X S+ 0 0 60 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.894 108.5 52.8 -63.3 -33.5 47.7 10.3 31.7 82 85 A S H X S+ 0 0 23 -4,-2.0 4,-2.4 2,-0.2 481,-0.3 0.904 109.9 47.9 -63.5 -41.7 49.7 9.4 34.9 83 86 A I H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.932 111.8 49.6 -64.5 -42.5 51.8 12.5 34.5 84 87 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.897 110.4 50.3 -63.9 -40.3 48.8 14.6 33.9 85 88 A A H X S+ 0 0 34 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.902 111.4 48.6 -62.5 -42.2 47.2 13.2 37.1 86 89 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 473,-0.4 3,-0.5 0.954 111.7 49.1 -61.0 -47.4 50.3 13.9 39.1 87 90 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.858 107.4 56.3 -58.8 -36.3 50.4 17.4 37.7 88 91 A A H X S+ 0 0 42 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.841 108.3 47.5 -65.9 -34.3 46.8 17.8 38.6 89 92 A G H X S+ 0 0 14 -4,-1.6 4,-2.3 -3,-0.5 -2,-0.2 0.946 114.8 42.8 -71.9 -49.9 47.5 16.9 42.3 90 93 A H H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.892 117.2 47.3 -68.4 -32.5 50.5 19.2 42.7 91 94 A S H X S+ 0 0 1 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.2 0.855 108.1 54.4 -82.8 -23.1 48.8 22.0 40.9 92 95 A G H X S+ 0 0 30 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.922 111.7 47.8 -59.6 -41.6 45.5 21.5 42.9 93 96 A H H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.940 113.9 45.5 -61.7 -49.7 47.7 21.8 46.0 94 97 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.918 111.6 51.9 -64.7 -40.1 49.5 24.9 44.6 95 98 A K H X S+ 0 0 63 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.894 106.5 55.0 -62.0 -39.5 46.2 26.5 43.5 96 99 A H H X S+ 0 0 25 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.930 111.0 45.0 -57.6 -48.5 44.8 25.9 47.0 97 100 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.889 110.7 53.2 -65.2 -39.8 47.7 27.8 48.4 98 101 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.926 110.7 47.3 -62.1 -43.1 47.4 30.6 45.8 99 102 A H H X S+ 0 0 79 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.886 112.1 51.0 -65.4 -34.6 43.8 31.1 46.7 100 103 A T H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.929 109.6 48.8 -68.9 -43.7 44.7 31.1 50.4 101 104 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.938 112.9 49.2 -60.7 -44.1 47.4 33.7 49.9 102 105 A K H X S+ 0 0 50 -4,-2.6 4,-1.6 1,-0.2 6,-0.2 0.951 112.2 46.7 -59.2 -50.8 44.9 35.8 47.9 103 106 A K H <>S+ 0 0 43 -4,-2.9 5,-2.9 1,-0.2 6,-0.9 0.922 111.5 53.7 -58.0 -40.5 42.2 35.5 50.5 104 107 A A H ><5S+ 0 0 15 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.930 112.0 41.0 -63.6 -43.4 44.7 36.4 53.2 105 108 A V H 3<5S+ 0 0 27 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.648 110.2 60.0 -83.3 -10.9 45.9 39.5 51.7 106 109 A Q T 3<5S- 0 0 71 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.316 118.0-111.9 -86.9 5.6 42.3 40.5 50.7 107 110 A G T < 5S+ 0 0 71 -3,-1.2 3,-0.2 -4,-0.2 -3,-0.2 0.658 91.0 113.2 74.1 18.3 41.4 40.4 54.4 108 111 A K S + 0 0 0 -6,-0.9 3,-2.0 -5,-0.2 -1,-0.2 -0.594 61.8 176.0-148.4 78.7 41.3 34.8 55.8 110 113 A A T 3 S+ 0 0 96 1,-0.3 256,-0.1 256,-0.3 -1,-0.1 0.627 74.4 71.3 -67.8 -15.4 42.8 36.3 58.9 111 114 A S T 3 S+ 0 0 33 254,-0.4 2,-0.3 2,-0.0 -1,-0.3 0.591 97.6 62.8 -73.2 -9.1 44.3 33.1 60.2 112 115 A Y < + 0 0 8 -3,-2.0 2,-0.3 -12,-0.1 -3,-0.1 -0.841 63.4 157.4-118.5 153.4 46.8 33.4 57.4 113 116 A M - 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