==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-MAY-13 4KTF . COMPND 2 MOLECULE: CYTOCHROME P450 121; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.A.HUDSON . 392 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.7 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 1 2 0 3 2 0 0 1 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 3 1 1 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 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 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 5 A V 0 0 174 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 166.5 8.8 -5.1 11.2 2 6 A L - 0 0 41 1,-0.1 29,-0.1 28,-0.1 28,-0.1 -0.376 360.0 -81.4 -60.3 140.7 9.4 -1.6 9.6 3 7 A L - 0 0 56 26,-0.3 28,-2.5 27,-0.1 2,-0.3 -0.227 51.4-140.7 -50.1 127.8 8.5 1.3 11.9 4 8 A E B -a 31 0A 124 26,-0.2 28,-0.2 -3,-0.1 -1,-0.1 -0.630 17.1-109.9 -99.8 140.8 4.8 2.1 11.7 5 9 A V S S+ 0 0 19 26,-2.2 28,-0.2 -2,-0.3 2,-0.1 -0.955 85.9 42.2-115.4 152.5 3.1 5.5 11.7 6 10 A P - 0 0 66 0, 0.0 3,-0.1 0, 0.0 272,-0.1 0.505 64.2-163.1 -78.0 165.7 1.4 7.1 13.4 7 11 A F - 0 0 67 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.905 68.9 -2.0 -82.0 -37.3 3.2 6.5 16.7 8 12 A S - 0 0 43 269,-0.2 -1,-0.3 2,-0.1 370,-0.0 -0.961 44.0-149.8-161.2 135.1 0.5 7.7 19.1 9 13 A A + 0 0 29 -2,-0.3 2,-0.2 -3,-0.1 375,-0.1 0.507 66.8 115.6 -79.1 -6.0 -3.0 9.2 18.9 10 14 A R - 0 0 69 1,-0.1 3,-0.3 366,-0.1 -2,-0.1 -0.488 44.2-172.2 -70.2 130.1 -2.4 11.1 22.3 11 15 A G S S+ 0 0 8 -2,-0.2 263,-0.4 1,-0.2 -1,-0.1 0.267 72.1 73.6-103.0 7.1 -2.5 14.8 21.7 12 16 A D S S+ 0 0 38 1,-0.2 2,-0.3 261,-0.1 -1,-0.2 0.425 103.6 23.7 -96.9 -12.7 -1.3 15.8 25.3 13 17 A R S S- 0 0 90 -3,-0.3 -1,-0.2 261,-0.1 -3,-0.0 -0.957 72.4-123.7-151.5 146.1 2.4 14.8 24.9 14 18 A I - 0 0 46 -2,-0.3 -3,-0.1 -3,-0.1 260,-0.0 -0.778 38.9-110.4 -85.3 135.2 4.9 14.3 22.2 15 19 A P >> - 0 0 36 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.306 17.0-129.9 -60.2 137.2 6.5 10.8 22.1 16 20 A D H 3> S+ 0 0 145 1,-0.3 4,-1.5 2,-0.2 3,-0.4 0.777 105.4 74.7 -53.4 -30.4 10.3 10.8 23.1 17 21 A A H 3> S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.770 82.2 64.8 -51.3 -35.4 10.7 8.8 19.9 18 22 A V H <> S+ 0 0 3 -3,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.956 103.0 46.1 -60.9 -48.2 10.2 12.0 17.8 19 23 A A H X S+ 0 0 48 -4,-0.5 4,-2.2 -3,-0.4 5,-0.2 0.875 111.3 53.8 -61.7 -36.8 13.4 13.6 19.1 20 24 A E H X S+ 0 0 74 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.948 110.8 45.1 -62.1 -44.0 15.4 10.4 18.7 21 25 A L H X S+ 0 0 22 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.907 111.5 52.2 -60.2 -50.2 14.3 10.2 15.0 22 26 A R H < S+ 0 0 21 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.912 116.4 40.4 -54.9 -43.1 15.0 13.8 14.4 23 27 A T H < S+ 0 0 125 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.916 128.4 29.6 -69.6 -43.6 18.6 13.4 15.9 24 28 A R H < S+ 0 0 85 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.793 139.5 2.6 -89.5 -41.3 19.4 10.0 14.3 25 29 A E < - 0 0 85 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 -0.487 57.2-179.9-157.3 73.4 17.4 9.8 11.0 26 30 A P S S+ 0 0 35 0, 0.0 16,-2.5 0, 0.0 17,-0.6 0.597 86.2 36.4 -70.4 -8.5 15.5 13.0 10.2 27 31 A I E S+ B 0 41A 7 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.958 84.1 149.5-132.6 125.5 14.2 11.3 7.1 28 32 A R E - B 0 40A 56 12,-1.9 12,-3.4 -2,-0.4 2,-0.3 -0.988 45.3 -93.8-154.8 159.9 13.5 7.6 7.4 29 33 A K E + B 0 39A 30 -2,-0.3 -26,-0.3 10,-0.2 2,-0.3 -0.544 43.6 167.9 -83.2 141.7 11.3 4.9 6.0 30 34 A V E - B 0 38A 0 8,-2.6 8,-2.0 -2,-0.3 2,-0.4 -0.898 31.4-117.8-139.3 170.8 8.1 4.0 7.6 31 35 A R E -aB 4 37A 81 -28,-2.5 -26,-2.2 -2,-0.3 6,-0.2 -0.941 25.5-148.2-115.2 133.1 5.0 1.9 7.0 32 36 A T > - 0 0 7 4,-2.9 3,-2.2 -2,-0.4 38,-0.1 -0.385 35.6 -93.1 -90.3 179.2 1.5 3.5 6.9 33 37 A I T 3 S+ 0 0 59 36,-0.5 135,-0.1 1,-0.3 37,-0.1 0.647 125.1 56.7 -69.4 -15.9 -1.8 2.0 7.9 34 38 A T T 3 S- 0 0 53 34,-0.5 -1,-0.3 35,-0.4 3,-0.1 0.578 120.3-106.9 -86.2 -6.4 -2.5 0.9 4.3 35 39 A G S < S+ 0 0 38 -3,-2.2 -2,-0.1 1,-0.4 2,-0.1 0.267 76.7 136.5 89.6 -0.0 0.9 -1.1 4.2 36 40 A A - 0 0 17 32,-0.5 -4,-2.9 -5,-0.1 -1,-0.4 -0.370 54.4-123.0 -70.1 153.8 2.5 1.4 2.0 37 41 A E E +B 31 0A 95 -6,-0.2 263,-0.4 -3,-0.1 2,-0.3 -0.616 36.5 170.8 -91.7 151.4 6.1 2.6 2.6 38 42 A A E -B 30 0A 2 -8,-2.0 -8,-2.6 -2,-0.2 2,-0.6 -0.983 36.2-110.2-152.5 160.7 6.8 6.3 3.0 39 43 A W E -Bc 29 301A 38 261,-2.6 263,-3.1 -2,-0.3 2,-0.5 -0.907 27.7-151.7 -97.2 120.1 9.5 8.7 4.1 40 44 A L E -Bc 28 302A 5 -12,-3.4 -12,-1.9 -2,-0.6 2,-0.5 -0.814 9.4-161.3 -92.3 120.2 8.9 10.3 7.4 41 45 A V E +Bc 27 303A 0 261,-2.8 263,-2.5 -2,-0.5 -14,-0.2 -0.916 18.7 164.5-109.7 124.9 10.5 13.8 7.6 42 46 A S + 0 0 0 -16,-2.5 2,-0.3 -2,-0.5 -20,-0.1 0.393 39.6 85.7-131.9 8.9 11.0 15.2 11.1 43 47 A S S > S- 0 0 12 -17,-0.6 4,-2.7 1,-0.1 265,-0.3 -0.772 73.9-123.0-106.5 157.0 13.5 18.2 11.3 44 48 A Y H > S+ 0 0 23 263,-0.4 4,-2.3 -2,-0.3 5,-0.2 0.926 111.9 52.1 -58.9 -44.1 12.6 21.8 10.7 45 49 A A H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 115.6 38.9 -61.7 -45.8 15.2 22.1 7.9 46 50 A L H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.889 114.0 53.6 -77.7 -32.4 13.9 19.0 5.9 47 51 A C H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.929 110.6 48.0 -63.7 -48.2 10.2 19.7 6.5 48 52 A T H X S+ 0 0 16 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.937 109.1 53.7 -58.3 -45.9 10.6 23.2 5.2 49 53 A Q H X S+ 0 0 66 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.933 111.5 44.8 -50.8 -46.1 12.5 21.9 2.1 50 54 A V H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 6,-0.3 0.942 113.7 49.0 -67.7 -46.5 9.7 19.4 1.2 51 55 A L H 3< S+ 0 0 7 -4,-2.3 287,-0.5 1,-0.2 288,-0.3 0.809 112.8 47.3 -62.5 -28.6 7.0 21.9 1.8 52 56 A E H 3< S+ 0 0 114 -4,-1.9 2,-0.7 -5,-0.2 -1,-0.2 0.375 97.0 78.2 -93.6 1.5 8.7 24.6 -0.4 53 57 A D X< - 0 0 29 -3,-1.0 3,-2.2 -4,-0.5 -1,-0.1 -0.914 64.4-161.8-115.4 105.3 9.5 22.3 -3.3 54 58 A R T 3 S+ 0 0 160 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.655 82.4 81.4 -68.1 -12.5 6.3 21.8 -5.4 55 59 A R T 3 S+ 0 0 115 1,-0.1 230,-2.2 2,-0.1 2,-1.0 0.725 79.5 72.7 -63.1 -21.7 7.9 18.7 -7.0 56 60 A F E < S-D 284 0A 4 -3,-2.2 2,-0.4 -6,-0.3 228,-0.2 -0.841 94.2-155.9 -82.4 100.4 6.7 17.1 -3.7 57 61 A S E -D 283 0A 20 226,-2.8 226,-2.6 -2,-1.0 4,-0.4 -0.666 34.6-167.7 -95.5 135.4 3.0 17.3 -5.0 58 62 A M S > S+ 0 0 49 -2,-0.4 3,-1.6 224,-0.2 4,-0.3 0.941 93.4 53.9 -71.6 -51.1 -0.2 17.4 -3.0 59 63 A K G > S+ 0 0 105 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.868 102.2 58.1 -54.4 -42.8 -2.4 16.8 -6.0 60 64 A E G > S+ 0 0 73 1,-0.3 3,-1.8 223,-0.2 -1,-0.3 0.664 84.0 79.8 -69.4 -16.1 -0.5 13.6 -7.1 61 65 A T G < S+ 0 0 15 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.780 89.5 58.4 -54.3 -24.5 -1.1 11.9 -3.8 62 66 A A G < S+ 0 0 16 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.427 78.2 122.7 -88.4 -3.6 -4.6 11.1 -5.3 63 67 A A S X S- 0 0 37 -3,-1.8 3,-1.8 1,-0.1 2,-0.1 -0.322 72.8-103.3 -65.4 138.0 -3.2 9.2 -8.3 64 68 A A T 3 S+ 0 0 107 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 -0.342 106.5 19.6 -56.3 136.6 -4.5 5.6 -8.8 65 69 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.459 90.6 135.6 82.2 -0.8 -1.8 3.1 -7.7 66 70 A A < - 0 0 18 -3,-1.8 -1,-0.3 1,-0.1 2,-0.2 -0.445 69.1 -96.6 -70.5 151.8 0.2 5.6 -5.6 67 71 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.542 52.7-145.2 -60.2 134.6 1.4 4.5 -2.1 68 72 A R - 0 0 58 -2,-0.2 -34,-0.5 1,-0.1 -32,-0.5 -0.876 31.4-160.2-116.6 137.5 -1.2 5.9 0.3 69 73 A L S S- 0 0 15 -2,-0.4 -36,-0.5 1,-0.3 -35,-0.4 0.914 86.4 -25.5 -62.3 -48.7 -1.2 7.3 3.8 70 74 A N S S- 0 0 20 -37,-0.1 -1,-0.3 -38,-0.1 2,-0.2 -0.932 81.5 -74.9-159.5 172.1 -4.9 6.6 4.0 71 75 A A - 0 0 10 96,-2.9 96,-0.4 -2,-0.3 98,-0.1 -0.547 53.0-102.2 -79.1 146.6 -8.0 6.1 1.9 72 76 A L - 0 0 52 -2,-0.2 99,-0.4 1,-0.1 -1,-0.1 -0.391 27.9-176.0 -65.0 140.0 -9.7 9.1 0.2 73 77 A T S S+ 0 0 26 90,-0.1 -1,-0.1 97,-0.1 105,-0.1 0.254 74.0 52.3-110.0 4.9 -12.9 10.4 1.8 74 78 A V S S- 0 0 43 104,-0.0 5,-0.1 1,-0.0 101,-0.1 -0.913 104.6 -80.5-128.1 161.7 -13.3 13.0 -1.0 75 79 A P >> - 0 0 29 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.334 47.1-113.7 -58.6 147.7 -13.4 12.7 -4.7 76 80 A P G >4 S+ 0 0 70 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.859 115.1 59.1 -59.1 -33.4 -9.8 12.6 -6.0 77 81 A E G >4 S+ 0 0 107 1,-0.3 3,-1.4 2,-0.2 7,-0.2 0.839 94.2 67.4 -63.6 -21.6 -10.2 15.9 -7.8 78 82 A V G X4 S+ 0 0 12 -3,-1.3 3,-2.0 1,-0.3 -1,-0.3 0.733 81.5 73.3 -74.3 -21.0 -10.9 17.5 -4.5 79 83 A V G << S+ 0 0 27 -3,-1.3 3,-0.3 -4,-0.6 -1,-0.3 0.869 99.2 49.5 -57.6 -32.3 -7.4 16.9 -3.3 80 84 A N G <> S+ 0 0 32 -3,-1.4 4,-2.7 -4,-0.4 3,-0.4 -0.042 76.4 134.3 -90.7 29.9 -6.5 19.7 -5.7 81 85 A N H <> S+ 0 0 20 -3,-2.0 4,-2.7 1,-0.3 -1,-0.2 0.860 70.7 46.9 -52.5 -44.4 -9.3 21.9 -4.2 82 86 A M H > S+ 0 0 46 -3,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.882 112.4 49.3 -70.2 -35.2 -7.1 25.0 -4.0 83 87 A G H > S+ 0 0 18 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.915 111.2 49.9 -61.7 -43.3 -5.8 24.6 -7.5 84 88 A N H X S+ 0 0 46 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.939 111.2 50.3 -63.5 -42.9 -9.4 24.1 -8.7 85 89 A I H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 6,-0.5 0.928 112.8 46.2 -60.6 -45.5 -10.4 27.4 -6.8 86 90 A A H ><5S+ 0 0 45 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.934 109.4 53.7 -64.0 -45.0 -7.5 29.3 -8.4 87 91 A D H 3<5S+ 0 0 137 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.738 105.8 53.5 -57.3 -31.3 -8.2 28.0 -11.8 88 92 A A T 3<5S- 0 0 21 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.419 116.8-115.1 -81.3 -3.9 -11.9 29.2 -11.6 89 93 A G T < 5S+ 0 0 49 -3,-1.8 4,-0.3 -4,-0.3 -3,-0.2 0.684 85.7 115.9 77.6 24.3 -10.6 32.7 -10.7 90 94 A L >< + 0 0 0 -5,-2.4 4,-2.7 -6,-0.2 5,-0.3 0.399 35.0 98.5-105.5 -1.3 -12.1 32.4 -7.1 91 95 A R H > S+ 0 0 107 -6,-0.5 4,-2.8 1,-0.2 5,-0.2 0.934 85.1 46.5 -59.4 -45.4 -9.1 32.5 -4.8 92 96 A K H > S+ 0 0 136 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 114.1 47.9 -65.1 -41.4 -9.2 36.1 -3.9 93 97 A A H > S+ 0 0 24 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.903 113.6 46.6 -66.4 -41.6 -12.9 36.1 -3.2 94 98 A V H X S+ 0 0 1 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.946 112.5 49.5 -64.6 -44.3 -12.7 33.0 -1.1 95 99 A M H >< S+ 0 0 49 -4,-2.8 3,-0.6 -5,-0.3 -2,-0.2 0.915 111.3 50.7 -62.7 -37.5 -9.8 34.2 0.9 96 100 A K H >< S+ 0 0 147 -4,-2.5 3,-1.1 -5,-0.2 -1,-0.2 0.898 107.1 53.2 -66.4 -38.5 -11.6 37.6 1.5 97 101 A A H 3< S+ 0 0 27 -4,-2.1 -1,-0.2 1,-0.2 101,-0.2 0.745 107.8 51.0 -71.6 -17.6 -14.7 35.9 2.7 98 102 A I T << S+ 0 0 10 -4,-1.1 248,-0.3 -3,-0.6 -1,-0.2 0.232 81.3 111.6-108.8 12.0 -12.9 33.8 5.4 99 103 A T S X S- 0 0 56 -3,-1.1 3,-0.9 -4,-0.2 244,-0.1 -0.598 75.0-124.9 -77.2 148.8 -10.9 36.5 7.1 100 104 A P T 3 S+ 0 0 13 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.470 92.9 89.8 -74.6 17.7 -11.9 37.4 10.7 101 105 A K T 3 + 0 0 98 -5,-0.2 3,-0.1 4,-0.1 -4,-0.1 0.524 47.6 118.5 -95.9 -13.4 -12.3 41.0 9.5 102 106 A A S X> S- 0 0 54 -3,-0.9 3,-2.3 -6,-0.1 4,-0.5 -0.298 80.2 -90.4 -56.3 132.6 -15.9 41.2 8.4 103 107 A P T 34 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.236 110.3 7.7 -39.9 130.3 -17.9 43.8 10.5 104 108 A G T 3> S+ 0 0 52 -3,-0.1 4,-2.2 1,-0.1 5,-0.1 0.244 97.1 108.8 82.1 -16.5 -19.6 42.1 13.5 105 109 A L H <> S+ 0 0 12 -3,-2.3 4,-2.4 2,-0.2 5,-0.2 0.947 81.0 44.5 -65.2 -49.2 -17.8 38.7 13.0 106 110 A E H X S+ 0 0 53 -4,-0.5 4,-2.5 -6,-0.4 -1,-0.2 0.906 114.7 49.9 -58.4 -37.5 -15.4 39.1 16.1 107 111 A Q H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.879 109.0 52.1 -70.6 -38.8 -18.4 40.4 18.2 108 112 A F H X S+ 0 0 45 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.912 109.2 50.2 -63.3 -40.7 -20.4 37.4 17.1 109 113 A L H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.935 113.3 46.3 -61.5 -44.7 -17.6 35.0 18.2 110 114 A R H X S+ 0 0 75 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.931 112.8 48.3 -63.9 -46.5 -17.4 36.7 21.5 111 115 A D H X S+ 0 0 83 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.913 113.3 47.8 -59.1 -42.5 -21.0 36.7 22.1 112 116 A T H X S+ 0 0 25 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.926 111.9 49.4 -67.2 -50.1 -21.3 33.0 21.1 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