==== 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 4KTK . COMPND 2 MOLECULE: CYTOCHROME P450 121; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.A.HUDSON . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 66.5 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 7.6 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 . 16 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 37.8 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 2 1 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 3 A A 0 0 161 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.0 13.2 -9.6 13.9 2 4 A T - 0 0 137 3,-0.0 3,-0.1 0, 0.0 2,-0.1 -0.959 360.0-103.4-136.5 154.1 10.6 -6.8 13.8 3 5 A V - 0 0 105 -2,-0.3 3,-0.1 1,-0.2 30,-0.0 -0.329 56.2 -76.2 -69.3 155.8 8.5 -5.2 11.0 4 6 A L - 0 0 45 1,-0.1 29,-0.2 28,-0.1 -1,-0.2 -0.221 67.7 -79.9 -47.7 140.9 9.5 -1.8 9.6 5 7 A L - 0 0 58 26,-0.3 28,-2.3 27,-0.1 2,-0.3 -0.214 53.1-144.1 -49.2 128.2 8.6 1.1 11.9 6 8 A E B -a 33 0A 117 26,-0.2 28,-0.2 -3,-0.1 -1,-0.1 -0.712 15.8-109.1-102.4 144.2 4.9 2.0 11.6 7 9 A V S S+ 0 0 19 26,-2.2 28,-0.2 -2,-0.3 2,-0.1 -0.932 85.2 45.4-118.4 156.8 3.2 5.4 11.8 8 10 A P - 0 0 66 0, 0.0 3,-0.1 0, 0.0 272,-0.1 0.477 63.7-163.0 -74.4 162.7 1.5 7.0 13.5 9 11 A F - 0 0 64 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.859 68.8 -3.1 -77.1 -41.2 3.3 6.4 16.8 10 12 A S - 0 0 42 269,-0.2 -1,-0.3 2,-0.1 370,-0.0 -0.933 43.9-147.7-159.0 134.4 0.5 7.5 19.1 11 13 A A + 0 0 30 -2,-0.3 2,-0.2 -3,-0.1 375,-0.2 0.517 68.1 115.1 -77.5 -6.9 -3.0 9.0 19.0 12 14 A R - 0 0 68 1,-0.1 3,-0.3 366,-0.1 -2,-0.1 -0.476 44.8-171.8 -68.2 128.9 -2.3 10.9 22.3 13 15 A G S S+ 0 0 8 -2,-0.2 263,-0.4 1,-0.2 -1,-0.1 0.203 72.0 71.9-103.2 9.5 -2.3 14.7 21.8 14 16 A D S S+ 0 0 43 1,-0.2 2,-0.3 261,-0.1 -1,-0.2 0.358 103.1 27.9-103.7 -1.1 -1.1 15.7 25.3 15 17 A R S S- 0 0 86 -3,-0.3 -1,-0.2 261,-0.1 -3,-0.0 -0.983 72.0-124.9-159.0 143.0 2.5 14.6 24.9 16 18 A I - 0 0 48 -2,-0.3 -3,-0.1 -3,-0.1 2,-0.1 -0.791 37.8-113.1 -81.8 129.6 5.1 14.0 22.2 17 19 A P >> - 0 0 36 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.392 18.5-127.7 -61.2 137.9 6.6 10.5 22.1 18 20 A D H 3> S+ 0 0 147 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.767 104.3 74.3 -54.8 -28.7 10.3 10.4 23.0 19 21 A A H 3> S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.759 82.7 65.8 -55.7 -30.6 10.9 8.6 19.8 20 22 A V H <> S+ 0 0 5 -3,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.941 102.5 46.1 -61.8 -46.5 10.4 11.7 17.8 21 23 A A H X S+ 0 0 48 -4,-0.5 4,-2.2 -3,-0.5 5,-0.2 0.890 112.6 51.3 -66.6 -34.2 13.5 13.4 19.2 22 24 A E H X S+ 0 0 84 -4,-1.6 4,-2.5 1,-0.2 5,-0.4 0.940 111.1 47.4 -66.5 -41.7 15.5 10.2 18.7 23 25 A L H X S+ 0 0 22 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.913 111.6 50.8 -57.9 -46.7 14.4 9.9 15.1 24 26 A R H < S+ 0 0 22 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.919 114.7 42.5 -63.3 -40.6 15.2 13.6 14.4 25 27 A T H < S+ 0 0 123 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.905 128.6 27.6 -69.9 -44.6 18.7 13.3 15.9 26 28 A R H < S+ 0 0 85 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.794 139.1 5.8 -95.8 -33.1 19.6 9.8 14.2 27 29 A E < + 0 0 90 -4,-2.9 -1,-0.2 -5,-0.4 -2,-0.2 -0.516 56.5 177.6-156.9 73.9 17.5 9.7 11.1 28 30 A P S S+ 0 0 34 0, 0.0 16,-2.6 0, 0.0 17,-0.6 0.592 85.3 36.0 -68.5 -10.6 15.6 12.8 10.3 29 31 A I E S+ B 0 43A 6 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.953 83.9 147.9-131.8 123.8 14.4 11.2 7.0 30 32 A R E - B 0 42A 51 12,-1.8 12,-3.2 -2,-0.3 2,-0.2 -0.990 47.1 -92.1-153.8 158.9 13.7 7.5 7.3 31 33 A K E + B 0 41A 32 -2,-0.3 2,-0.3 10,-0.2 -26,-0.3 -0.554 44.0 166.8 -79.4 141.4 11.5 4.8 6.0 32 34 A V E - B 0 40A 0 8,-2.5 8,-2.3 -2,-0.2 2,-0.4 -0.891 31.8-118.7-139.7 167.9 8.2 3.9 7.7 33 35 A R E -aB 6 39A 79 -28,-2.3 -26,-2.2 -2,-0.3 6,-0.2 -0.931 24.7-146.0-115.9 135.0 5.1 1.9 6.9 34 36 A T > - 0 0 6 4,-2.9 3,-2.2 -2,-0.4 38,-0.1 -0.370 36.0 -94.4 -90.8 176.3 1.6 3.5 6.8 35 37 A I T 3 S+ 0 0 59 36,-0.6 135,-0.1 1,-0.3 37,-0.1 0.701 123.9 60.3 -69.5 -18.7 -1.7 2.0 7.8 36 38 A T T 3 S- 0 0 52 34,-0.5 -1,-0.3 35,-0.4 3,-0.1 0.585 119.7-107.3 -80.3 -9.0 -2.3 1.0 4.1 37 39 A G S < S+ 0 0 39 -3,-2.2 -2,-0.1 1,-0.4 2,-0.1 0.280 78.1 134.4 93.2 -9.0 0.9 -1.2 4.1 38 40 A A - 0 0 17 32,-0.4 -4,-2.9 1,-0.1 -1,-0.4 -0.407 55.2-123.6 -68.6 151.7 2.7 1.4 1.9 39 41 A E E +B 33 0A 93 -6,-0.2 263,-0.4 -3,-0.1 2,-0.3 -0.677 35.2 172.4 -89.1 153.7 6.2 2.6 2.6 40 42 A A E -B 32 0A 2 -8,-2.3 -8,-2.5 -2,-0.3 2,-0.6 -0.990 35.9-108.9-152.6 160.9 6.9 6.3 3.0 41 43 A W E -Bc 31 303A 41 261,-2.9 263,-3.1 -2,-0.3 2,-0.6 -0.876 28.3-150.4 -97.1 119.0 9.7 8.6 4.0 42 44 A L E -Bc 30 304A 4 -12,-3.2 -12,-1.8 -2,-0.6 2,-0.5 -0.840 9.8-162.0 -92.0 116.8 9.1 10.2 7.4 43 45 A V E +Bc 29 305A 0 261,-2.9 263,-2.6 -2,-0.6 -14,-0.2 -0.914 19.1 163.6-104.7 124.4 10.7 13.7 7.6 44 46 A S + 0 0 0 -16,-2.6 2,-0.3 -2,-0.5 -20,-0.1 0.423 40.6 85.4-131.2 6.0 11.2 15.0 11.2 45 47 A S S > S- 0 0 13 -17,-0.6 4,-2.6 1,-0.1 265,-0.3 -0.789 74.7-123.8-104.3 155.0 13.7 18.0 11.3 46 48 A Y H > S+ 0 0 22 263,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.933 110.6 52.3 -60.1 -43.2 12.7 21.6 10.7 47 49 A A H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 115.1 40.1 -61.9 -44.5 15.3 21.9 7.9 48 50 A L H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.875 113.3 53.9 -74.2 -36.1 14.1 18.9 6.0 49 51 A C H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.933 111.1 45.8 -58.2 -50.2 10.4 19.6 6.6 50 52 A T H X S+ 0 0 15 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.914 108.9 56.7 -62.3 -41.7 10.7 23.1 5.2 51 53 A Q H X S+ 0 0 65 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.946 111.4 42.6 -51.0 -51.2 12.8 21.8 2.2 52 54 A V H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 6,-0.3 0.947 114.1 49.7 -65.0 -46.9 9.9 19.4 1.2 53 55 A L H 3< S+ 0 0 7 -4,-2.4 287,-0.5 1,-0.3 288,-0.3 0.797 111.9 48.1 -65.1 -25.3 7.1 21.8 1.8 54 56 A E H 3< S+ 0 0 113 -4,-1.9 2,-0.7 -5,-0.2 -1,-0.3 0.415 96.5 79.5 -93.8 2.8 8.8 24.6 -0.2 55 57 A D X< - 0 0 29 -3,-1.2 3,-2.2 -4,-0.5 -1,-0.1 -0.919 63.6-162.8-114.9 101.5 9.6 22.3 -3.3 56 58 A R T 3 S+ 0 0 165 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.632 82.6 80.1 -65.4 -9.2 6.5 21.9 -5.4 57 59 A R T 3 S+ 0 0 118 1,-0.1 230,-2.3 2,-0.1 2,-1.0 0.743 80.6 74.6 -70.3 -13.7 8.0 18.8 -7.1 58 60 A F E < S-D 286 0A 4 -3,-2.2 2,-0.4 -6,-0.3 228,-0.2 -0.839 92.3-156.4 -89.6 98.4 6.8 17.2 -3.8 59 61 A S E -D 285 0A 20 226,-2.8 226,-2.3 -2,-1.0 4,-0.3 -0.676 35.5-169.4 -92.7 135.9 3.2 17.3 -4.9 60 62 A M S > S+ 0 0 52 -2,-0.4 3,-1.7 224,-0.2 4,-0.3 0.928 93.3 53.5 -75.0 -52.1 -0.1 17.3 -2.9 61 63 A K G > S+ 0 0 109 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.882 102.9 56.4 -54.1 -41.2 -2.3 16.8 -5.9 62 64 A E G > S+ 0 0 74 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.598 84.2 82.1 -73.9 -12.3 -0.4 13.7 -7.1 63 65 A T G < S+ 0 0 15 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.735 88.9 58.1 -53.4 -27.1 -0.9 11.9 -3.8 64 66 A A G < S+ 0 0 16 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.427 78.9 125.2 -88.2 3.1 -4.4 11.0 -5.3 65 67 A A S X S- 0 0 36 -3,-1.8 3,-1.8 1,-0.1 2,-0.1 -0.287 71.5-102.2 -67.5 139.1 -2.9 9.2 -8.3 66 68 A A T 3 S+ 0 0 108 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 -0.374 106.2 18.3 -56.8 131.1 -4.1 5.7 -8.9 67 69 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 0.480 91.2 135.8 91.0 -8.2 -1.5 3.2 -7.8 68 70 A A < - 0 0 19 -3,-1.8 -1,-0.3 -5,-0.1 2,-0.2 -0.473 67.9 -97.4 -70.9 151.3 0.5 5.5 -5.6 69 71 A P - 0 0 38 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.558 52.2-150.2 -62.2 132.8 1.7 4.6 -2.2 70 72 A R - 0 0 55 -2,-0.2 -34,-0.5 1,-0.1 -32,-0.4 -0.898 30.7-155.5-117.5 139.8 -0.9 6.0 0.2 71 73 A L S S- 0 0 15 -2,-0.4 -36,-0.6 1,-0.3 -35,-0.4 0.902 86.5 -25.6 -67.0 -47.9 -0.9 7.3 3.8 72 74 A N S S- 0 0 20 -37,-0.1 -1,-0.3 -38,-0.1 98,-0.2 -0.935 82.8 -71.4-155.1 177.3 -4.7 6.5 4.0 73 75 A A - 0 0 11 96,-3.1 96,-0.4 -2,-0.3 2,-0.2 -0.508 53.5-102.4 -79.3 144.1 -7.8 6.1 1.8 74 76 A L - 0 0 51 -2,-0.2 99,-0.4 1,-0.1 -1,-0.1 -0.479 28.2-174.9 -63.1 138.5 -9.4 9.0 0.2 75 77 A T S S+ 0 0 25 -2,-0.2 -1,-0.1 90,-0.1 105,-0.1 0.384 73.1 47.4-106.5 -6.0 -12.5 10.3 1.9 76 78 A V S S- 0 0 40 1,-0.1 5,-0.1 104,-0.0 101,-0.1 -0.862 104.4 -77.1-121.5 167.1 -13.2 12.9 -0.9 77 79 A P >> - 0 0 31 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.314 48.5-113.3 -60.5 144.9 -13.2 12.7 -4.7 78 80 A P G >4 S+ 0 0 70 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.860 114.5 59.2 -57.4 -30.5 -9.6 12.6 -6.1 79 81 A E G >4 S+ 0 0 108 1,-0.3 3,-1.3 2,-0.2 7,-0.2 0.777 94.4 66.2 -67.2 -24.7 -10.0 16.0 -7.8 80 82 A V G X4 S+ 0 0 12 -3,-1.5 3,-1.7 1,-0.3 -1,-0.3 0.693 83.4 71.7 -70.6 -18.5 -10.7 17.6 -4.4 81 83 A V G << S+ 0 0 27 -3,-1.4 -1,-0.3 -4,-0.5 3,-0.3 0.808 100.2 49.1 -63.6 -23.6 -7.2 16.8 -3.2 82 84 A N G <> S+ 0 0 29 -3,-1.3 4,-2.4 -4,-0.4 -1,-0.3 -0.030 78.3 133.6 -99.2 34.5 -6.3 19.6 -5.6 83 85 A N H <> S+ 0 0 21 -3,-1.7 4,-2.7 1,-0.3 5,-0.2 0.897 71.3 45.0 -58.3 -48.3 -9.1 21.9 -4.1 84 86 A M H > S+ 0 0 46 -3,-0.3 4,-2.8 1,-0.2 -1,-0.3 0.910 112.9 51.3 -66.7 -38.8 -6.9 25.0 -3.8 85 87 A G H > S+ 0 0 18 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.913 111.0 47.6 -54.8 -49.1 -5.6 24.5 -7.3 86 88 A N H X S+ 0 0 46 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.929 111.5 50.7 -63.3 -43.8 -9.1 24.2 -8.6 87 89 A I H <>S+ 0 0 0 -4,-2.7 5,-2.3 -5,-0.2 6,-0.4 0.944 113.0 47.1 -56.2 -47.3 -10.2 27.3 -6.7 88 90 A A H ><5S+ 0 0 46 -4,-2.8 3,-1.8 1,-0.2 5,-0.2 0.943 109.8 51.8 -62.8 -43.1 -7.2 29.2 -8.2 89 91 A D H 3<5S+ 0 0 138 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.738 106.7 54.2 -65.9 -26.9 -7.8 28.0 -11.7 90 92 A A T 3<5S- 0 0 22 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.414 116.8-114.7 -88.5 -3.5 -11.4 29.2 -11.5 91 93 A G T < 5S+ 0 0 46 -3,-1.8 4,-0.3 -4,-0.3 -3,-0.2 0.657 84.7 117.1 79.5 22.4 -10.2 32.7 -10.5 92 94 A L >< + 0 0 0 -5,-2.3 4,-2.4 -6,-0.2 5,-0.2 0.386 35.2 98.4 -98.6 -0.3 -11.8 32.4 -7.0 93 95 A R H > S+ 0 0 90 -6,-0.4 4,-2.4 -5,-0.2 5,-0.2 0.946 84.8 46.3 -62.8 -45.5 -8.8 32.5 -4.7 94 96 A K H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.932 113.3 49.2 -66.0 -39.1 -9.2 36.2 -3.8 95 97 A A H > S+ 0 0 23 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.924 109.8 50.3 -63.5 -42.4 -12.8 36.0 -3.1 96 98 A V H X S+ 0 0 1 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.949 110.7 50.3 -59.4 -42.3 -12.5 33.0 -0.9 97 99 A M H < S+ 0 0 77 -4,-2.4 3,-0.5 -5,-0.2 4,-0.3 0.903 107.7 51.8 -68.3 -36.7 -9.8 34.6 1.1 98 100 A K H >< S+ 0 0 117 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.864 108.0 53.7 -65.9 -36.2 -11.7 37.8 1.7 99 101 A A H 3< S+ 0 0 22 -4,-1.9 101,-0.2 1,-0.2 -1,-0.2 0.786 109.1 46.8 -68.3 -24.1 -14.7 35.8 2.9 100 102 A I T 3< S+ 0 0 10 -4,-1.2 248,-0.2 -3,-0.5 -1,-0.2 0.265 81.6 116.0-112.6 14.5 -12.8 33.8 5.5 101 103 A T X - 0 0 56 -3,-0.8 3,-1.2 -4,-0.3 244,-0.0 -0.589 66.1-134.7 -77.0 144.9 -10.8 36.7 7.2 102 104 A P T 3 S+ 0 0 14 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.637 96.6 78.9 -72.8 -5.1 -11.6 37.4 10.8 103 105 A K T 3 + 0 0 80 4,-0.1 3,-0.1 5,-0.1 -5,-0.0 0.536 61.1 122.4 -83.1 -11.7 -11.7 41.1 10.0 104 106 A A S X> S- 0 0 42 -3,-1.2 3,-1.4 1,-0.1 4,-0.6 -0.183 80.6 -83.0 -46.6 141.9 -15.2 40.9 8.5 105 107 A P T 34 S- 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.288 107.7 -3.3 -55.7 130.8 -17.6 43.4 10.3 106 108 A G T 3> S+ 0 0 57 -3,-0.1 4,-2.1 1,-0.1 5,-0.1 0.320 99.2 112.5 71.6 -9.4 -19.1 42.1 13.5 107 109 A L H <> S+ 0 0 10 -3,-1.4 4,-2.6 2,-0.2 5,-0.2 0.946 77.6 46.6 -64.4 -45.1 -17.5 38.6 13.1 108 110 A E H X S+ 0 0 52 -4,-0.6 4,-2.8 -6,-0.4 5,-0.2 0.919 113.1 50.4 -62.1 -36.3 -15.1 39.0 16.1 109 111 A Q H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.905 108.6 52.1 -73.1 -30.4 -18.0 40.3 18.2 110 112 A F H X S+ 0 0 48 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.916 109.6 49.7 -64.8 -40.7 -20.0 37.3 17.1 111 113 A L H X S+ 0 0 1 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.929 113.1 46.4 -63.0 -47.5 -17.2 35.0 18.2 112 114 A R H X S+ 0 0 67 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.950 113.6 47.5 -59.6 -47.9 -17.0 36.8 21.6 113 115 A D H X S+ 0 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-41.1 -22.8 18.6 -1.5 185 187 A E H X S+ 0 0 134 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.917 109.4 51.0 -64.1 -37.5 -26.6 18.6 -2.2 186 188 A Y H X S+ 0 0 53 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.960 111.9 45.7 -61.8 -47.8 -27.1 20.9 0.8 187 189 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.841 109.9 54.3 -69.0 -34.8 -24.5 23.4 -0.4 188 190 A A H X S+ 0 0 36 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.916 108.6 49.8 -63.1 -37.2 -25.9 23.2 -4.0 189 191 A G H >< S+ 0 0 42 -4,-2.4 3,-0.8 -5,-0.2 4,-0.5 0.887 107.2 55.3 -66.4 -39.8 -29.3 24.1 -2.4 190 192 A I H >< S+ 0 0 5 -4,-1.8 3,-1.5 1,-0.3 6,-0.3 0.927 102.1 56.2 -65.8 -33.6 -27.7 27.0 -0.6 191 193 A L H 3< S+ 0 0 5 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.730 111.9 42.6 -70.3 -18.3 -26.3 28.4 -3.8 192 194 A E T << S+ 0 0 118 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.371 91.5 103.5-100.8 0.5 -29.9 28.5 -5.2 193 195 A N X - 0 0 56 -3,-1.5 3,-1.8 -4,-0.5 12,-0.1 -0.735 59.5-156.5 -94.0 113.6 -31.4 29.9 -1.9 194 196 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.702 88.3 67.5 -69.1 -14.4 -32.1 33.7 -2.3 195 197 A N T 3 S+ 0 0 135 1,-0.1 2,-1.0 2,-0.0 3,-0.2 0.617 81.3 87.8 -74.7 -11.8 -31.9 34.2 1.5 196 198 A I < + 0 0 11 -3,-1.8 -46,-0.1 -6,-0.3 -1,-0.1 -0.762 43.5 132.0 -97.2 94.4 -28.2 33.4 1.4 197 199 A T + 0 0 80 -2,-1.0 2,-0.2 -48,-0.2 -1,-0.2 0.372 50.8 66.4-125.3 1.9 -26.5 36.7 0.7 198 200 A T S > S+ 0 0 85 -49,-0.3 4,-1.9 -3,-0.2 3,-0.1 -0.702 82.3 16.4-121.4 167.8 -23.7 37.0 3.2 199 201 A G H > S- 0 0 30 -2,-0.2 4,-2.2 2,-0.2 -51,-0.3 -0.012 110.4 -38.5 66.8-168.7 -20.4 35.2 3.9 200 202 A L H > S+ 0 0 1 -53,-2.7 4,-2.9 -101,-0.2 5,-0.2 0.930 140.0 48.0 -60.1 -45.7 -18.5 32.8 1.6 201 203 A M H > S+ 0 0 0 -53,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.850 110.5 51.6 -67.1 -40.5 -21.8 31.1 0.3 202 204 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 -54,-0.5 -1,-0.2 0.923 113.7 45.2 -64.3 -37.9 -23.4 34.5 -0.4 203 205 A E H X S+ 0 0 59 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.962 113.6 47.8 -71.9 -41.6 -20.3 35.6 -2.3 204 206 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.874 108.4 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