==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-JUN-09 2WM5 . COMPND 2 MOLECULE: PUTATIVE CYTOCHROME P450 124; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.B.JOHNSTON,P.M.KELLS,L.M.PODUST,P.R.ORTIZ DE MONTELLANO . 425 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.5 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 . 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 . 26 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 1 1 2 0 2 0 1 2 0 2 0 1 0 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 2 3 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 M 0 0 217 0, 0.0 3,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -73.8 40.1 26.3 8.9 2 2 A G > + 0 0 39 1,-0.2 3,-1.5 2,-0.1 0, 0.0 0.060 360.0 120.3 -69.7 28.9 41.6 23.1 10.3 3 3 A L T 3 S+ 0 0 54 -2,-0.3 -1,-0.2 1,-0.3 156,-0.2 0.395 71.2 55.3 -77.4 -0.4 40.9 21.4 6.9 4 4 A N T 3 S+ 0 0 107 -3,-0.5 2,-0.4 400,-0.1 -1,-0.3 0.396 97.4 74.8-104.2 0.2 44.6 20.7 6.4 5 5 A T S < S- 0 0 82 -3,-1.5 -1,-0.0 399,-0.3 -3,-0.0 -0.942 85.9-105.5-121.1 138.0 45.1 18.8 9.8 6 6 A A - 0 0 56 -2,-0.4 398,-0.3 1,-0.1 3,-0.1 -0.109 36.7-109.3 -60.8 143.4 43.9 15.1 10.7 7 7 A I - 0 0 16 396,-2.4 -1,-0.1 1,-0.2 398,-0.1 -0.223 48.5 -77.6 -58.7 163.7 40.9 14.5 12.9 8 8 A A - 0 0 72 1,-0.1 -1,-0.2 396,-0.1 2,-0.1 -0.355 47.4-128.1 -62.9 138.2 41.4 13.2 16.4 9 9 A T - 0 0 88 -3,-0.1 2,-0.3 -2,-0.1 275,-0.2 -0.414 20.0-137.9 -76.2 166.4 42.1 9.5 16.6 10 10 A R - 0 0 89 273,-2.5 2,-0.8 -2,-0.1 -1,-0.0 -0.918 21.4-104.9-122.7 159.4 40.0 7.2 18.8 11 11 A V > - 0 0 112 -2,-0.3 3,-1.5 273,-0.1 273,-0.1 -0.694 43.2-125.8 -80.5 115.9 41.0 4.4 21.1 12 12 A N T 3 S+ 0 0 51 -2,-0.8 344,-0.2 1,-0.2 343,-0.1 -0.263 90.6 27.4 -61.9 141.2 39.9 1.2 19.3 13 13 A G T 3 S+ 0 0 27 342,-1.5 -1,-0.2 1,-0.3 343,-0.2 0.379 81.1 142.6 91.3 -0.5 37.6 -1.1 21.3 14 14 A T < - 0 0 84 -3,-1.5 -1,-0.3 341,-0.3 -4,-0.0 -0.551 46.3-134.7 -76.5 125.0 36.1 1.6 23.5 15 15 A P - 0 0 80 0, 0.0 3,-0.1 0, 0.0 26,-0.1 -0.320 28.7 -94.3 -73.9 160.3 32.4 1.0 24.1 16 16 A P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 22,-0.1 -0.363 50.0 -88.8 -66.5 155.9 29.9 3.8 23.8 17 17 A P - 0 0 91 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 -0.216 55.7 -88.2 -59.0 154.4 28.9 5.8 26.9 18 18 A E - 0 0 153 -3,-0.1 24,-0.1 26,-0.1 23,-0.1 -0.489 42.3-158.2 -66.1 134.0 25.9 4.3 28.8 19 19 A V - 0 0 10 22,-0.4 5,-0.1 -2,-0.2 26,-0.1 -0.955 16.0-127.3-119.0 115.4 22.7 5.7 27.5 20 20 A P > - 0 0 76 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.340 20.4-124.2 -55.5 138.3 19.7 5.5 29.9 21 21 A I G > S+ 0 0 69 1,-0.3 3,-2.0 2,-0.2 25,-0.0 0.836 109.5 64.4 -54.4 -38.3 16.7 3.8 28.2 22 22 A A G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.740 95.6 59.0 -56.8 -23.9 14.6 7.0 28.9 23 23 A D G < S+ 0 0 100 -3,-2.2 2,-0.6 2,-0.0 -1,-0.3 0.516 83.8 97.7 -78.8 -9.8 16.8 9.0 26.6 24 24 A I < + 0 0 7 -3,-2.0 2,-0.2 -4,-0.3 3,-0.1 -0.734 40.7 164.6 -90.6 117.9 16.0 6.7 23.6 25 25 A E > + 0 0 109 -2,-0.6 3,-2.2 3,-0.1 6,-0.3 -0.677 7.7 172.8-134.2 81.7 13.3 8.1 21.3 26 26 A L T 3 S+ 0 0 0 1,-0.3 32,-0.1 -2,-0.2 -1,-0.1 0.734 82.5 57.4 -63.4 -22.3 13.4 6.2 18.0 27 27 A G T 3 S+ 0 0 18 30,-0.1 2,-0.5 -3,-0.1 32,-0.5 0.230 91.8 87.0 -89.1 5.7 10.2 8.1 17.0 28 28 A S X> - 0 0 26 -3,-2.2 3,-1.0 30,-0.1 4,-1.0 -0.946 66.8-149.5-112.6 127.4 11.9 11.6 17.4 29 29 A L H 3> S+ 0 0 61 -2,-0.5 4,-0.8 1,-0.2 3,-0.4 0.845 99.4 62.3 -59.3 -34.3 13.8 13.2 14.6 30 30 A D H 34 S+ 0 0 126 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.803 97.0 58.2 -62.5 -29.8 16.0 14.9 17.3 31 31 A F H X4 S+ 0 0 6 -3,-1.0 3,-1.4 -6,-0.3 -1,-0.2 0.901 101.7 54.1 -64.2 -40.1 17.2 11.5 18.4 32 32 A W H 3< S+ 0 0 2 -4,-1.0 380,-0.4 -3,-0.4 -1,-0.2 0.687 101.8 60.4 -70.4 -18.9 18.5 10.7 14.8 33 33 A A T 3< S+ 0 0 48 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.581 82.4 102.3 -79.5 -13.7 20.6 13.9 15.0 34 34 A L S < S- 0 0 75 -3,-1.4 5,-0.0 -4,-0.3 -3,-0.0 -0.327 85.3 -93.7 -67.8 158.1 22.5 12.7 18.1 35 35 A D > - 0 0 61 1,-0.1 4,-2.7 4,-0.1 3,-0.3 -0.179 35.0-100.6 -77.0 173.9 26.0 11.4 17.2 36 36 A D H > S+ 0 0 31 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.738 118.4 60.0 -67.4 -26.8 26.8 7.8 16.6 37 37 A D H > S+ 0 0 42 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.933 109.4 42.9 -66.6 -41.7 28.2 7.2 20.1 38 38 A V H > S+ 0 0 48 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.943 116.9 48.6 -65.9 -43.9 24.9 8.1 21.6 39 39 A R H X S+ 0 0 11 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.912 112.4 46.6 -61.6 -46.9 23.1 6.1 18.9 40 40 A D H X S+ 0 0 29 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.909 113.9 48.8 -62.9 -39.1 25.3 3.0 19.3 41 41 A G H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.2 -22,-0.4 0.886 108.3 55.8 -67.0 -32.8 24.9 3.2 23.2 42 42 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.942 109.6 43.9 -64.5 -52.7 21.2 3.6 22.7 43 43 A F H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.873 111.0 56.6 -64.0 -31.9 20.9 0.3 20.7 44 44 A A H X S+ 0 0 10 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.928 107.5 47.9 -60.3 -40.3 23.3 -1.3 23.3 45 45 A T H X>S+ 0 0 1 -4,-2.3 4,-3.3 2,-0.2 5,-0.5 0.913 111.8 49.9 -64.4 -45.2 20.8 -0.4 26.0 46 46 A L H X5S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.943 109.2 50.8 -60.7 -45.6 17.9 -1.8 24.0 47 47 A R H <5S+ 0 0 10 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.874 119.4 38.1 -55.6 -42.8 19.7 -5.1 23.3 48 48 A R H <5S+ 0 0 125 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.896 133.9 16.8 -74.6 -43.9 20.5 -5.4 27.0 49 49 A E H <5S+ 0 0 105 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.692 137.7 12.4-111.1 -27.6 17.2 -4.1 28.6 50 50 A A << + 0 0 25 -4,-2.1 -1,-0.2 -5,-0.5 -2,-0.1 -0.493 60.8 171.5-154.2 71.1 14.4 -4.1 26.0 51 51 A P S S+ 0 0 31 0, 0.0 20,-1.7 0, 0.0 21,-0.4 0.672 75.8 35.6 -73.3 -18.9 15.4 -6.0 22.9 52 52 A I E S+A 70 0A 14 18,-0.2 2,-0.3 275,-0.1 18,-0.2 -0.985 78.5 150.9-128.3 122.1 11.9 -5.9 21.3 53 53 A S E -A 69 0A 21 16,-0.9 16,-3.2 -2,-0.4 2,-0.4 -0.979 40.2-115.3-151.8 157.2 9.9 -2.6 21.8 54 54 A F E -A 68 0A 103 -2,-0.3 14,-0.2 14,-0.2 283,-0.0 -0.851 31.1-177.8-107.5 138.6 7.3 -0.6 20.0 55 55 A W E -A 67 0A 34 12,-2.5 12,-2.4 -2,-0.4 -30,-0.0 -0.934 26.1-114.9-134.8 148.5 7.9 2.9 18.7 56 56 A P - 0 0 81 0, 0.0 2,-0.2 0, 0.0 9,-0.1 -0.352 40.1-104.9 -74.1 158.1 5.9 5.7 16.9 57 57 A T - 0 0 9 7,-0.5 2,-0.4 1,-0.1 -30,-0.1 -0.489 39.6 -99.8 -74.2 158.8 6.9 6.7 13.4 58 58 A I - 0 0 25 -2,-0.2 2,-0.5 -32,-0.1 6,-0.2 -0.635 42.2-148.4 -72.1 127.6 8.7 10.0 13.0 59 59 A E 0 0 62 -32,-0.5 -30,-0.2 -2,-0.4 4,-0.1 -0.932 360.0 360.0-100.0 127.2 6.2 12.6 11.9 60 60 A L 0 0 150 -2,-0.5 -1,-0.1 2,-0.1 3,-0.0 -0.547 360.0 360.0 170.4 360.0 6.9 15.6 9.7 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 64 A V 0 0 139 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 119.6 1.0 11.8 8.2 63 65 A A - 0 0 75 -4,-0.1 -4,-0.1 1,-0.1 2,-0.1 -0.492 360.0-167.8 -58.7 127.3 2.0 10.0 11.4 64 66 A G - 0 0 41 -2,-0.2 -7,-0.5 1,-0.2 2,-0.1 -0.267 32.2 -53.0-109.0-160.6 1.4 6.3 10.7 65 67 A N - 0 0 123 1,-0.1 -1,-0.2 29,-0.1 31,-0.1 -0.466 61.3-115.5 -67.7 148.6 1.3 3.1 12.7 66 68 A G - 0 0 9 -2,-0.1 270,-0.7 -10,-0.1 2,-0.3 0.023 27.8-128.8 -78.5-172.4 4.3 2.4 15.0 67 69 A H E -Ab 55 336A 0 -12,-2.4 -12,-2.5 268,-0.1 2,-0.6 -0.983 10.6-118.2-144.9 146.8 6.8 -0.5 14.6 68 70 A W E -Ab 54 337A 43 268,-2.6 270,-3.2 -2,-0.3 2,-0.7 -0.819 32.9-141.6 -85.7 122.1 8.4 -3.2 16.7 69 71 A A E -Ab 53 338A 0 -16,-3.2 -16,-0.9 -2,-0.6 2,-0.7 -0.754 8.7-159.2 -88.7 120.1 12.2 -2.7 16.8 70 72 A L E +Ab 52 339A 0 268,-3.4 270,-2.4 -2,-0.7 274,-0.2 -0.870 21.1 165.4 -97.3 112.4 14.2 -5.9 16.5 71 73 A T + 0 0 0 -20,-1.7 2,-0.3 -2,-0.7 -1,-0.1 0.592 43.8 89.0-106.6 -16.4 17.6 -5.0 17.9 72 74 A K S >> S- 0 0 29 -21,-0.4 4,-2.4 1,-0.1 3,-0.6 -0.697 75.2-130.8 -89.5 138.0 19.2 -8.5 18.6 73 75 A Y H 3> S+ 0 0 11 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.909 107.3 54.2 -47.3 -48.4 21.2 -10.2 15.7 74 76 A D H 3> S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.839 110.0 46.4 -64.3 -31.6 19.3 -13.5 16.2 75 77 A D H <> S+ 0 0 10 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.895 112.4 48.5 -75.7 -42.4 15.9 -11.8 15.9 76 78 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.915 114.4 48.7 -63.1 -40.5 16.9 -9.8 12.8 77 79 A F H X S+ 0 0 73 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.957 112.1 47.4 -59.3 -52.0 18.3 -13.1 11.3 78 80 A Y H X S+ 0 0 79 -4,-2.5 4,-0.5 -5,-0.2 3,-0.3 0.936 112.7 48.6 -59.9 -45.2 15.2 -15.0 12.1 79 81 A A H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 7,-0.3 0.926 110.2 52.3 -62.5 -39.9 12.8 -12.3 10.6 80 82 A S H 3< S+ 0 0 7 -4,-2.5 294,-0.4 1,-0.3 295,-0.3 0.822 110.6 47.9 -61.7 -37.6 15.0 -12.1 7.4 81 83 A R H 3< S+ 0 0 115 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.376 105.7 60.7 -86.9 0.4 14.7 -15.9 6.9 82 84 A H XX + 0 0 69 -3,-1.2 4,-2.9 -4,-0.5 3,-1.6 -0.494 54.5 154.6-122.4 62.6 11.0 -16.1 7.4 83 85 A P T 34 + 0 0 34 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.730 68.8 67.6 -67.0 -18.2 9.5 -13.9 4.7 84 86 A D T 34 S+ 0 0 140 1,-0.2 3,-0.2 -3,-0.1 237,-0.1 0.771 116.0 29.2 -67.5 -23.5 6.1 -15.8 4.8 85 87 A I T <4 S+ 0 0 19 -3,-1.6 236,-2.2 1,-0.2 2,-0.9 0.801 126.6 43.5 -99.3 -43.8 5.7 -14.3 8.2 86 88 A F E < S-C 320 0A 0 -4,-2.9 -1,-0.2 -7,-0.3 234,-0.2 -0.809 86.2-163.2-106.1 94.6 7.7 -11.0 7.8 87 89 A S E -C 319 0A 9 232,-2.7 232,-2.3 -2,-0.9 4,-0.1 -0.460 25.4-159.5 -88.2 144.9 6.5 -9.8 4.4 88 90 A S + 0 0 0 230,-0.2 -1,-0.1 -2,-0.2 24,-0.1 0.432 45.1 143.8 -92.3 -2.3 8.3 -7.1 2.3 89 91 A Y S S- 0 0 101 1,-0.3 22,-0.1 230,-0.2 -2,-0.1 -0.751 78.9 -25.5 -94.4 121.6 5.1 -6.4 0.2 90 92 A P S S+ 0 0 19 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 -0.936 126.5 53.0-109.6 14.5 4.9 -3.5 -0.5 91 93 A N + 0 0 9 -4,-0.1 5,-0.1 1,-0.1 228,-0.0 -0.916 30.9 165.4-119.9 133.1 6.8 -1.5 2.2 92 94 A I + 0 0 18 -2,-0.5 225,-2.5 3,-0.1 2,-0.3 0.277 67.6 71.0-122.1 8.5 10.4 -1.8 3.4 93 95 A T S S- 0 0 42 2,-0.3 4,-0.1 223,-0.2 223,-0.1 -0.823 89.9-114.3-109.7 164.4 10.6 1.6 5.2 94 96 A I S S+ 0 0 0 -2,-0.3 2,-0.3 2,-0.1 -29,-0.1 0.901 101.8 70.8 -65.3 -36.5 8.8 2.4 8.5 95 97 A N S S- 0 0 65 1,-0.1 -2,-0.3 -31,-0.1 2,-0.2 -0.613 92.6-120.4 -83.3 132.5 6.7 5.1 6.7 96 98 A D - 0 0 99 -2,-0.3 2,-0.3 -31,-0.1 -2,-0.1 -0.460 26.0-168.1 -78.0 142.9 4.1 3.5 4.4 97 99 A Q - 0 0 81 -2,-0.2 -4,-0.0 -4,-0.1 -1,-0.0 -0.791 36.0 -92.7-111.2 163.2 4.1 4.2 0.7 98 100 A T > - 0 0 60 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.446 38.9-116.2 -67.0 154.3 1.2 3.3 -1.8 99 101 A P H > S+ 0 0 62 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.909 113.4 52.3 -63.3 -39.3 1.8 -0.1 -3.4 100 102 A E H > S+ 0 0 154 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.895 113.8 42.7 -65.9 -36.0 2.1 1.4 -6.9 101 103 A L H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 5,-0.4 0.917 112.6 54.0 -75.4 -36.7 4.7 4.0 -5.9 102 104 A A H X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.922 112.0 44.1 -62.9 -46.5 6.6 1.4 -3.8 103 105 A E H X S+ 0 0 51 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.860 109.9 56.4 -65.6 -35.9 6.8 -0.9 -6.8 104 106 A Y H < S+ 0 0 66 -4,-2.0 -2,-0.2 -5,-0.2 156,-0.2 0.930 121.6 26.4 -63.8 -42.4 7.8 1.9 -9.2 105 107 A F H < S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.724 127.8 45.3 -89.2 -22.9 10.8 3.0 -7.1 106 108 A G H >< S- 0 0 6 -4,-2.2 3,-1.9 -5,-0.4 4,-0.2 0.646 70.6-179.6-106.5 -12.3 11.5 -0.4 -5.4 107 109 A S G >< S- 0 0 6 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 -0.219 76.3 -3.7 50.6-132.2 11.4 -3.1 -8.1 108 110 A M G > S+ 0 0 10 1,-0.2 3,-1.5 2,-0.2 -1,-0.3 0.691 122.0 74.9 -69.8 -18.6 12.1 -6.5 -6.5 109 111 A I G < S+ 0 0 37 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.760 98.3 46.0 -72.3 -19.2 12.8 -5.2 -3.0 110 112 A V G < S+ 0 0 6 -3,-1.1 2,-0.3 -4,-0.2 -1,-0.3 0.243 100.1 89.2-104.8 16.0 9.1 -4.5 -2.3 111 113 A L < - 0 0 6 -3,-1.5 2,-0.2 -5,-0.2 -23,-0.1 -0.831 60.6-148.3-112.4 148.9 7.8 -7.9 -3.6 112 114 A D >> - 0 0 44 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.663 46.8 -52.7 -95.2 166.5 7.3 -11.3 -2.0 113 115 A D T 34 S+ 0 0 80 1,-0.3 -1,-0.1 2,-0.3 261,-0.0 -0.459 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