==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-AUG-04 1X8V . COMPND 2 MOLECULE: CYTOCHROME P450 51; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.M.PODUST,L.V.YERMALITSKAYA,G.I.LEPESHEVA,V.N.PODUST, . 429 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 9.3 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 18 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 5 1 1 1 0 1 0 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 2 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 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 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 0 162 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.3 -16.2 -12.9 102.6 2 3 A A - 0 0 59 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.558 360.0-107.2 -83.8 146.5 -15.7 -13.8 99.0 3 4 A V - 0 0 119 -2,-0.2 2,-0.3 1,-0.1 318,-0.1 -0.499 32.5-122.2 -73.6 137.8 -12.4 -15.3 97.7 4 5 A A - 0 0 89 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.643 24.0-124.4 -83.6 135.0 -10.2 -12.9 95.7 5 6 A L - 0 0 18 -2,-0.3 35,-0.1 1,-0.1 -1,-0.1 -0.284 42.7 -77.9 -72.3 160.7 -9.3 -14.1 92.1 6 7 A P - 0 0 36 0, 0.0 35,-1.5 0, 0.0 2,-0.4 -0.369 50.6-152.9 -61.4 138.1 -5.6 -14.3 91.1 7 8 A R B -a 41 0A 101 33,-0.2 35,-0.2 -3,-0.1 -3,-0.0 -0.951 12.7-119.6-119.1 133.7 -4.2 -10.8 90.3 8 9 A V - 0 0 4 33,-2.7 35,-0.1 -2,-0.4 24,-0.1 -0.300 39.4 -95.5 -68.4 153.1 -1.4 -10.1 87.9 9 10 A S S S+ 0 0 52 22,-0.1 2,-0.1 33,-0.1 -1,-0.1 -0.086 87.4 26.9 -63.2 165.3 1.8 -8.4 89.2 10 11 A G + 0 0 32 1,-0.1 7,-0.1 2,-0.0 6,-0.0 -0.470 51.6 131.5 81.2-153.8 2.3 -4.6 89.0 11 12 A G + 0 0 19 5,-0.2 6,-0.2 -2,-0.1 5,-0.1 0.835 27.2 137.2 73.6 34.8 -0.5 -2.1 88.9 12 13 A H + 0 0 171 3,-0.1 5,-0.1 5,-0.1 2,-0.1 0.186 40.2 104.8 -97.6 17.0 0.8 0.2 91.6 13 14 A D B > S-B 16 0A 94 3,-1.1 3,-2.0 1,-0.0 5,-0.1 -0.356 92.7 -82.9 -89.6 174.7 -0.0 3.4 89.7 14 15 A E T 3 S+ 0 0 168 1,-0.3 3,-0.1 -2,-0.1 -1,-0.0 0.864 128.7 30.6 -44.9 -51.4 -2.9 5.8 90.5 15 16 A H T > S- 0 0 47 1,-0.3 30,-2.3 28,-0.0 3,-1.7 -0.144 110.6-116.1-106.0 41.3 -5.5 3.8 88.6 16 17 A G B < S-BC 13 44A 13 -3,-2.0 -3,-1.1 1,-0.3 3,-0.3 -0.520 85.9 -11.3 70.5-121.7 -4.1 0.3 89.1 17 18 A H T 3> S+ 0 0 3 26,-2.6 4,-2.5 -2,-0.4 -1,-0.3 0.388 109.8 99.8 -93.0 2.0 -3.1 -1.3 85.8 18 19 A L H <> S+ 0 0 0 -3,-1.7 4,-1.7 25,-0.5 -1,-0.2 0.896 79.2 53.2 -55.8 -43.7 -4.8 1.4 83.7 19 20 A E H > S+ 0 0 43 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.892 112.6 43.8 -60.0 -41.1 -1.6 3.3 83.1 20 21 A E H > S+ 0 0 38 -4,-0.2 4,-3.4 -3,-0.2 -1,-0.2 0.854 108.6 58.3 -72.2 -34.5 0.1 0.1 81.8 21 22 A F H < S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 107.8 48.4 -62.7 -32.5 -3.0 -0.8 79.8 22 23 A R H < S+ 0 0 79 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.802 119.8 36.6 -76.7 -30.8 -2.6 2.6 78.0 23 24 A T H < S- 0 0 112 -4,-1.2 390,-0.2 -5,-0.2 -2,-0.2 0.860 139.5 -0.0 -91.3 -41.2 1.1 2.1 77.3 24 25 A D X + 0 0 80 -4,-3.4 4,-1.9 -5,-0.1 -2,-0.2 -0.471 64.6 165.0-151.7 71.7 1.4 -1.7 76.5 25 26 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.855 79.4 52.2 -58.5 -39.2 -2.0 -3.5 76.7 26 27 A I H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 108.8 49.9 -66.9 -41.1 -0.8 -6.6 74.9 27 28 A G H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 112.2 49.3 -62.9 -38.7 2.2 -7.0 77.2 28 29 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 -8,-0.2 -2,-0.2 0.944 111.8 46.8 -65.6 -48.8 -0.1 -6.6 80.2 29 30 A M H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.856 111.0 52.2 -64.0 -34.7 -2.6 -9.2 78.9 30 31 A Q H X S+ 0 0 63 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.877 107.0 53.2 -69.0 -36.5 0.2 -11.7 78.1 31 32 A R H X S+ 0 0 57 -4,-1.8 4,-2.6 2,-0.2 5,-0.4 0.863 103.2 57.8 -66.9 -33.8 1.6 -11.3 81.6 32 33 A V H X>S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 5,-0.6 0.957 112.8 39.9 -59.1 -48.2 -1.8 -12.2 83.0 33 34 A R H X5S+ 0 0 57 -4,-1.6 4,-1.5 3,-0.2 -2,-0.2 0.900 114.8 51.9 -68.2 -41.6 -1.8 -15.5 81.1 34 35 A D H <5S+ 0 0 117 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.900 120.6 33.0 -62.1 -42.2 1.9 -16.2 81.8 35 36 A E H <5S+ 0 0 90 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.847 135.7 18.7 -83.6 -36.7 1.6 -15.7 85.5 36 37 A L H <5S- 0 0 52 -4,-2.5 3,-0.4 -5,-0.4 2,-0.3 0.642 90.2-138.9-114.0 -19.7 -1.9 -16.9 86.2 37 38 A G << - 0 0 25 -4,-1.5 -1,-0.3 -5,-0.6 -2,-0.1 -0.722 64.9 -10.4 101.0-147.1 -3.2 -19.1 83.4 38 39 A D S S+ 0 0 46 -2,-0.3 15,-1.8 1,-0.2 2,-0.4 0.674 131.6 42.1 -69.5 -20.9 -6.6 -19.2 81.7 39 40 A V E S+ D 0 52A 3 -3,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.965 73.5 137.6-133.1 115.6 -8.3 -17.0 84.3 40 41 A G E - D 0 51A 0 11,-1.7 11,-3.0 -2,-0.4 2,-0.3 -0.972 32.3-135.8-150.9 163.6 -6.6 -13.9 85.7 41 42 A T E -aD 7 50A 0 -35,-1.5 -33,-2.7 -2,-0.3 2,-0.3 -0.858 12.2-176.3-128.6 159.9 -7.3 -10.3 86.7 42 43 A F E - D 0 49A 0 7,-1.6 7,-2.8 -2,-0.3 2,-0.6 -0.953 32.9-110.0-143.3 157.5 -6.0 -6.8 86.4 43 44 A Q E - D 0 48A 43 -2,-0.3 -26,-2.6 5,-0.2 2,-0.8 -0.841 22.6-172.3 -99.2 122.1 -7.3 -3.5 87.8 44 45 A L E > -CD 16 47A 0 3,-3.1 3,-1.9 -2,-0.6 2,-0.2 -0.819 63.0 -72.0-111.7 88.5 -8.8 -0.9 85.5 45 46 A A T 3 S- 0 0 16 -30,-2.3 -28,-0.1 -2,-0.8 127,-0.1 -0.441 117.1 -10.0 61.5-123.3 -9.3 2.1 87.8 46 47 A G T 3 S+ 0 0 69 125,-0.3 2,-0.4 -2,-0.2 -1,-0.3 0.233 125.6 83.4 -90.3 16.5 -12.2 1.2 90.0 47 48 A K E < -D 44 0A 100 -3,-1.9 -3,-3.1 279,-0.0 2,-0.5 -0.925 68.7-139.3-122.5 144.2 -13.1 -1.9 88.0 48 49 A Q E -D 43 0A 45 -2,-0.4 279,-2.0 -5,-0.2 2,-0.6 -0.864 16.9-153.1 -99.7 131.6 -11.7 -5.5 88.1 49 50 A V E -De 42 327A 0 -7,-2.8 -7,-1.6 -2,-0.5 2,-0.9 -0.931 2.1-154.7-108.4 122.9 -11.2 -7.1 84.7 50 51 A V E -De 41 328A 0 277,-3.0 279,-2.9 -2,-0.6 2,-0.7 -0.859 15.8-157.3 -96.1 105.2 -11.3 -10.9 84.6 51 52 A L E -De 40 329A 5 -11,-3.0 -11,-1.7 -2,-0.9 2,-0.3 -0.781 7.2-164.0 -91.7 117.2 -9.3 -11.8 81.6 52 53 A L E +De 39 330A 1 277,-3.1 279,-0.6 -2,-0.7 2,-0.3 -0.729 13.6 167.0 -99.3 146.7 -10.1 -15.2 80.1 53 54 A S + 0 0 6 -15,-1.8 4,-0.5 -2,-0.3 3,-0.1 -0.976 33.1 52.3-153.4 160.5 -7.8 -17.1 77.7 54 55 A G S > S- 0 0 6 -2,-0.3 4,-2.4 3,-0.1 5,-0.2 0.006 91.2 -74.1 91.8 158.0 -7.5 -20.6 76.2 55 56 A S H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.895 126.6 48.2 -57.0 -47.6 -10.2 -22.7 74.5 56 57 A H H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.947 117.0 39.9 -61.1 -52.4 -12.2 -23.7 77.6 57 58 A A H > S+ 0 0 0 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.888 115.3 52.5 -66.1 -40.7 -12.5 -20.2 79.1 58 59 A N H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.875 104.2 57.2 -62.9 -37.5 -13.0 -18.5 75.8 59 60 A E H X S+ 0 0 55 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.925 107.5 47.9 -60.0 -43.8 -15.9 -20.9 75.0 60 61 A F H X S+ 0 0 53 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.944 113.1 49.4 -60.1 -47.1 -17.6 -19.8 78.2 61 62 A F H < S+ 0 0 1 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.942 116.5 38.9 -57.1 -53.5 -17.1 -16.2 77.2 62 63 A F H < S+ 0 0 4 -4,-3.0 312,-1.2 1,-0.2 313,-0.3 0.766 114.3 50.9 -74.5 -26.8 -18.4 -16.4 73.7 63 64 A R H < S+ 0 0 171 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.586 85.4 110.2 -87.3 -8.5 -21.3 -18.8 74.2 64 65 A A < - 0 0 9 -4,-1.0 310,-0.2 -3,-0.5 2,-0.1 -0.426 65.3-132.5 -69.2 136.6 -22.7 -16.6 77.1 65 66 A G >> - 0 0 22 -2,-0.1 4,-2.6 1,-0.1 3,-2.0 -0.389 28.8-100.1 -84.2 166.9 -25.9 -14.8 76.3 66 67 A D T 34 S+ 0 0 56 1,-0.3 6,-0.1 2,-0.2 -1,-0.1 0.672 122.6 66.1 -59.2 -16.4 -26.5 -11.1 77.0 67 68 A D T 34 S+ 0 0 142 2,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.763 114.5 26.6 -76.1 -26.8 -28.4 -12.3 80.1 68 69 A D T <4 S+ 0 0 68 -3,-2.0 244,-3.1 1,-0.3 2,-0.5 0.838 136.1 22.9-101.1 -51.5 -25.2 -13.6 81.6 69 70 A L E < S-F 311 0A 0 -4,-2.6 2,-0.4 242,-0.2 -1,-0.3 -0.935 79.9-154.7-122.8 105.8 -22.4 -11.5 80.1 70 71 A D E -F 310 0A 35 240,-2.8 240,-2.7 -2,-0.5 3,-0.1 -0.684 19.2-175.9 -88.5 128.5 -23.7 -8.1 78.9 71 72 A Q > + 0 0 64 -2,-0.4 3,-1.7 238,-0.2 4,-0.4 0.693 65.3 93.3 -89.3 -22.5 -22.0 -6.2 76.1 72 73 A A T 3 S+ 0 0 62 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.801 99.7 18.8 -38.9 -55.3 -24.3 -3.2 76.5 73 74 A K T 3 S+ 0 0 173 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.118 97.1 98.6-110.8 22.7 -22.3 -1.1 78.9 74 75 A A S < S+ 0 0 1 -3,-1.7 -1,-0.1 1,-0.2 -2,-0.1 0.632 80.7 52.6 -83.7 -12.7 -18.9 -2.7 78.5 75 76 A Y > + 0 0 51 -4,-0.4 3,-1.9 -3,-0.3 4,-0.3 -0.544 59.0 164.0-124.6 68.0 -17.6 -0.0 76.0 76 77 A P G > + 0 0 26 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.704 67.5 73.3 -55.4 -26.6 -18.1 3.4 77.7 77 78 A F G 3 S+ 0 0 15 1,-0.2 4,-0.3 2,-0.1 90,-0.1 0.646 92.1 58.6 -66.6 -12.8 -15.7 5.2 75.3 78 79 A M G <> S+ 0 0 25 -3,-1.9 4,-2.4 1,-0.1 5,-0.4 0.699 85.2 78.4 -88.9 -20.6 -18.4 4.9 72.6 79 80 A T H <> S+ 0 0 78 -3,-1.1 4,-2.2 -4,-0.3 -2,-0.1 0.925 97.2 41.6 -55.3 -51.7 -21.1 6.8 74.4 80 81 A P H 4 S+ 0 0 9 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.756 113.5 56.6 -68.7 -23.5 -19.8 10.3 73.7 81 82 A I H 4 S+ 0 0 0 -4,-0.3 -2,-0.2 -3,-0.2 -3,-0.1 0.939 114.4 34.1 -74.2 -48.5 -19.0 9.3 70.1 82 83 A F H < 0 0 40 -4,-2.4 -3,-0.2 1,-0.2 -1,-0.1 0.854 360.0 360.0 -74.2 -34.3 -22.4 8.2 69.1 83 84 A G < 0 0 83 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.1 -0.396 360.0 360.0 72.9 360.0 -24.1 10.8 71.3 84 ! 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 85 95 A R > 0 0 93 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -19.9 -31.8 -3.8 67.9 86 96 A R H > + 0 0 139 2,-0.2 4,-3.6 1,-0.2 5,-0.4 0.906 360.0 47.7 -67.4 -42.6 -28.9 -1.5 66.9 87 97 A K H >>S+ 0 0 72 3,-0.2 5,-3.5 1,-0.2 4,-2.2 0.896 111.6 51.1 -64.9 -40.0 -27.7 -3.9 64.3 88 98 A E H 45S+ 0 0 137 3,-0.2 5,-0.3 1,-0.2 -1,-0.2 0.849 120.4 35.1 -65.4 -34.3 -31.2 -4.3 62.9 89 99 A M H <5S+ 0 0 155 -4,-1.7 -2,-0.2 3,-0.1 -1,-0.2 0.818 134.4 22.1 -89.1 -35.0 -31.6 -0.6 62.7 90 100 A L H <5S+ 0 0 35 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.694 131.3 19.1-109.5 -21.2 -28.1 0.5 61.8 91 101 A H T X5S+ 0 0 34 -4,-2.2 4,-1.1 -5,-0.4 3,-0.2 0.777 98.9 71.1-121.9 -39.4 -26.3 -2.5 60.1 92 102 A N T >44 S+ 0 0 79 -5,-0.3 3,-1.2 -6,-0.3 -1,-0.2 0.921 110.4 42.8 -48.6 -53.3 -29.9 -3.7 55.7 94 104 A A G 34 S+ 0 0 19 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.724 111.9 57.5 -68.2 -21.4 -26.6 -2.8 54.1 95 105 A L G << S+ 0 0 40 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.342 73.2 126.7 -93.8 6.6 -25.1 -6.2 55.0 96 106 A R X> - 0 0 149 -3,-1.2 3,-2.0 -4,-0.5 4,-0.6 -0.355 68.5-120.4 -65.5 145.6 -27.6 -8.5 53.2 97 107 A G G >4 S+ 0 0 58 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.855 110.9 60.2 -52.8 -41.1 -26.1 -11.0 50.9 98 108 A E G 34 S+ 0 0 145 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.630 102.2 55.2 -65.3 -12.2 -28.0 -9.7 47.9 99 109 A Q G <> S+ 0 0 86 -3,-2.0 4,-2.0 1,-0.1 -1,-0.3 0.623 86.1 83.2 -94.1 -15.1 -26.3 -6.3 48.4 100 110 A M H S+ 0 0 135 -4,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.940 111.9 45.9 -57.4 -47.4 -22.3 -7.8 44.5 102 112 A G H > S+ 0 0 39 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.890 110.5 53.4 -62.6 -39.6 -23.2 -4.1 44.3 103 113 A H H X S+ 0 0 13 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.870 104.7 54.9 -64.2 -37.2 -20.9 -3.3 47.3 104 114 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.903 109.5 47.0 -62.9 -41.0 -17.9 -4.9 45.6 105 115 A A H X S+ 0 0 41 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.887 112.5 50.5 -66.0 -39.6 -18.4 -2.8 42.5 106 116 A T H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.918 110.9 48.3 -64.1 -44.4 -18.8 0.3 44.7 107 117 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.921 109.4 52.4 -63.7 -43.1 -15.6 -0.6 46.6 108 118 A E H X S+ 0 0 40 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.926 110.1 50.1 -57.5 -43.7 -13.7 -1.1 43.3 109 119 A D H X S+ 0 0 84 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.895 108.8 51.3 -62.6 -40.8 -14.9 2.3 42.2 110 120 A Q H X S+ 0 0 6 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.889 109.9 49.8 -65.4 -37.6 -13.7 3.9 45.4 111 121 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.940 109.9 49.7 -66.7 -45.8 -10.3 2.4 45.1 112 122 A R H X S+ 0 0 83 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.882 110.6 51.1 -61.6 -35.9 -9.9 3.6 41.5 113 123 A R H >< S+ 0 0 101 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.905 108.9 51.7 -66.8 -39.5 -10.9 7.1 42.5 114 124 A M H 3< S+ 0 0 25 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.799 117.1 37.5 -67.0 -30.5 -8.3 7.1 45.3 115 125 A I H >< S+ 0 0 11 -4,-1.7 3,-1.9 1,-0.2 4,-0.4 0.351 84.4 106.3-103.4 6.6 -5.4 6.0 43.1 116 126 A A T << S+ 0 0 77 -3,-0.6 3,-0.3 -4,-0.5 -1,-0.2 0.815 85.9 40.7 -54.5 -34.8 -6.6 8.1 40.1 117 127 A D T 3 S+ 0 0 138 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.255 85.1 101.6-100.9 13.6 -3.8 10.7 40.6 118 128 A W < - 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