==== 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 4KTJ . 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) . 17111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 68.0 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 . 17 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 37.6 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 1 2 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 3 A A 0 0 157 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.2 13.1 -9.5 13.4 2 4 A T - 0 0 135 1,-0.0 2,-0.3 3,-0.0 3,-0.0 -0.280 360.0-123.6 -76.5-168.7 11.6 -6.2 14.1 3 5 A V - 0 0 101 -2,-0.1 2,-0.2 3,-0.0 3,-0.1 -0.827 37.6 -71.6-130.5 164.9 9.3 -4.8 11.6 4 6 A L - 0 0 40 -2,-0.3 29,-0.2 1,-0.1 28,-0.1 -0.474 66.4 -93.2 -62.7 131.1 9.4 -1.5 9.6 5 7 A L - 0 0 51 26,-0.3 28,-2.3 -2,-0.2 2,-0.3 -0.226 46.0-140.2 -46.4 124.8 8.6 1.3 11.9 6 8 A E B -a 33 0A 123 26,-0.2 28,-0.2 -3,-0.1 -1,-0.1 -0.630 18.3-110.3 -97.9 142.2 4.8 2.0 11.8 7 9 A V S S+ 0 0 19 26,-2.4 28,-0.2 -2,-0.3 2,-0.1 -0.947 84.5 42.7-116.4 153.4 3.1 5.4 11.8 8 10 A P - 0 0 65 0, 0.0 3,-0.1 0, 0.0 272,-0.1 0.526 63.9-161.8 -78.9 163.7 1.4 7.1 13.5 9 11 A F - 0 0 66 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.891 67.6 -3.3 -76.4 -37.8 3.2 6.5 16.9 10 12 A S - 0 0 43 269,-0.2 -1,-0.3 2,-0.1 375,-0.0 -0.956 43.3-148.3-160.0 139.7 0.4 7.7 19.3 11 13 A A + 0 0 30 -2,-0.3 2,-0.2 -3,-0.1 375,-0.2 0.540 66.7 115.8 -83.4 -5.0 -3.0 9.2 19.2 12 14 A R - 0 0 67 1,-0.1 3,-0.2 366,-0.1 -2,-0.1 -0.459 43.9-172.3 -69.1 130.5 -2.4 11.0 22.5 13 15 A G S S+ 0 0 7 -2,-0.2 263,-0.4 1,-0.1 -1,-0.1 0.291 72.7 71.5-107.1 11.0 -2.5 14.8 21.8 14 16 A D S S+ 0 0 38 1,-0.2 2,-0.3 262,-0.1 -1,-0.1 0.387 104.4 26.0-102.7 -5.4 -1.3 15.9 25.4 15 17 A R S S- 0 0 85 -3,-0.2 -1,-0.2 261,-0.1 -3,-0.0 -0.974 72.5-125.7-157.2 139.6 2.3 14.8 25.1 16 18 A I - 0 0 46 -2,-0.3 -3,-0.1 -3,-0.1 260,-0.0 -0.828 37.9-111.0 -81.3 136.5 4.9 14.2 22.3 17 19 A P >> - 0 0 37 0, 0.0 3,-2.2 0, 0.0 4,-0.6 -0.329 17.4-130.1 -66.0 134.9 6.5 10.7 22.3 18 20 A D H 3> S+ 0 0 148 1,-0.3 4,-1.4 2,-0.2 3,-0.5 0.762 104.8 75.2 -52.7 -28.2 10.2 10.8 23.3 19 21 A A H 3> S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.770 82.0 64.8 -49.6 -37.8 10.7 8.8 20.1 20 22 A V H <> S+ 0 0 4 -3,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.932 103.0 46.0 -59.6 -47.6 10.2 11.9 17.9 21 23 A A H X S+ 0 0 50 -4,-0.6 4,-2.2 -3,-0.5 -1,-0.2 0.901 111.5 53.7 -65.0 -31.8 13.4 13.6 19.3 22 24 A E H X S+ 0 0 75 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.926 111.0 45.3 -62.1 -48.1 15.3 10.3 18.8 23 25 A L H X S+ 0 0 18 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.915 111.9 51.8 -59.4 -45.6 14.2 10.1 15.2 24 26 A R H < S+ 0 0 21 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.900 115.6 40.0 -61.8 -44.9 15.0 13.7 14.5 25 27 A T H < S+ 0 0 126 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.935 128.6 30.1 -65.4 -47.6 18.6 13.4 16.0 26 28 A R H < S+ 0 0 84 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.804 139.7 3.5 -86.1 -38.9 19.4 9.9 14.5 27 29 A E < + 0 0 85 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 -0.454 56.3 178.5-156.6 74.9 17.3 9.8 11.2 28 30 A P S S+ 0 0 34 0, 0.0 16,-2.5 0, 0.0 17,-0.6 0.574 85.7 37.1 -73.8 -10.7 15.4 13.0 10.3 29 31 A I E S+ B 0 43A 7 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.935 84.0 151.1-130.4 125.4 14.2 11.3 7.2 30 32 A R E - B 0 42A 61 12,-1.9 12,-3.3 -2,-0.3 2,-0.2 -0.985 45.8 -95.3-154.3 155.1 13.5 7.6 7.5 31 33 A K E + B 0 41A 31 -2,-0.3 -26,-0.3 10,-0.2 2,-0.3 -0.500 44.2 167.8 -75.8 140.0 11.4 4.9 6.0 32 34 A V E - B 0 40A 0 8,-2.7 8,-2.3 -2,-0.2 2,-0.4 -0.878 31.6-119.5-140.5 167.7 8.1 4.0 7.8 33 35 A R E -aB 6 39A 90 -28,-2.3 -26,-2.4 -2,-0.3 6,-0.2 -0.963 25.5-146.0-112.2 136.1 4.9 1.9 7.0 34 36 A T > - 0 0 6 4,-2.7 3,-2.0 -2,-0.4 38,-0.1 -0.403 35.4 -93.6 -90.1 178.3 1.5 3.6 6.9 35 37 A I T 3 S+ 0 0 59 36,-0.5 135,-0.1 1,-0.3 37,-0.1 0.655 124.9 57.4 -69.9 -16.8 -1.8 2.0 8.0 36 38 A T T 3 S- 0 0 51 34,-0.4 -1,-0.3 35,-0.4 3,-0.1 0.610 120.1-106.3 -87.7 -3.4 -2.4 0.9 4.4 37 39 A G S < S+ 0 0 38 -3,-2.0 -2,-0.1 1,-0.3 34,-0.1 0.295 76.9 134.7 92.0 -13.1 0.8 -1.1 4.2 38 40 A A - 0 0 17 32,-0.5 -4,-2.7 -5,-0.1 -1,-0.3 -0.331 54.7-123.0 -64.4 153.5 2.5 1.4 2.0 39 41 A E E +B 33 0A 102 -6,-0.2 263,-0.5 -3,-0.1 2,-0.3 -0.667 36.0 170.9 -90.7 150.3 6.1 2.6 2.6 40 42 A A E -B 32 0A 2 -8,-2.3 -8,-2.7 -2,-0.3 2,-0.6 -0.981 35.8-111.1-151.3 162.2 6.7 6.3 3.1 41 43 A W E -Bc 31 303A 39 261,-2.4 263,-3.1 -2,-0.3 2,-0.5 -0.895 28.3-151.6 -98.2 115.9 9.5 8.7 4.1 42 44 A L E -Bc 30 304A 5 -12,-3.3 -12,-1.9 -2,-0.6 2,-0.5 -0.853 8.4-161.5 -90.3 120.1 8.9 10.3 7.5 43 45 A V E +Bc 29 305A 0 261,-2.8 263,-2.5 -2,-0.5 -14,-0.2 -0.936 18.4 165.7-111.2 128.0 10.6 13.8 7.7 44 46 A S + 0 0 0 -16,-2.5 2,-0.3 -2,-0.5 -20,-0.1 0.416 41.0 88.1-133.1 5.1 11.0 15.1 11.2 45 47 A S S > S- 0 0 13 -17,-0.6 4,-2.9 1,-0.1 265,-0.3 -0.722 73.0-125.1-104.9 155.6 13.4 18.1 11.3 46 48 A Y H > S+ 0 0 24 263,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.943 110.7 50.6 -59.2 -45.9 12.6 21.7 10.8 47 49 A A H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 116.2 39.8 -56.3 -48.7 15.2 22.1 7.9 48 50 A L H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 112.8 53.9 -78.6 -31.4 13.9 19.0 6.0 49 51 A C H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.914 111.1 47.2 -61.8 -48.5 10.2 19.6 6.6 50 52 A T H X S+ 0 0 15 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.936 108.8 55.0 -58.4 -42.6 10.6 23.1 5.2 51 53 A Q H < S+ 0 0 66 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.920 111.8 43.8 -53.1 -48.2 12.6 21.8 2.2 52 54 A V H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 6,-0.3 0.957 113.9 48.3 -71.1 -42.4 9.7 19.4 1.3 53 55 A L H 3< S+ 0 0 6 -4,-2.3 287,-0.5 1,-0.3 288,-0.3 0.771 112.4 48.9 -70.0 -27.2 6.9 21.8 1.8 54 56 A E T 3< S+ 0 0 112 -4,-1.8 2,-0.7 -3,-0.2 -1,-0.3 0.364 97.4 77.5 -90.7 2.1 8.6 24.6 -0.3 55 57 A D X - 0 0 29 -3,-1.3 3,-2.3 -4,-0.4 -1,-0.1 -0.923 64.4-161.8-115.1 103.7 9.4 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 0.647 82.2 81.2 -61.3 -18.3 6.3 21.7 -5.4 57 59 A R T 3 S+ 0 0 118 1,-0.1 230,-2.4 2,-0.1 2,-1.1 0.734 80.5 73.8 -59.0 -21.4 7.9 18.7 -7.0 58 60 A F E < S-D 286 0A 4 -3,-2.3 2,-0.4 -6,-0.3 228,-0.2 -0.834 93.4-156.4 -88.6 98.8 6.7 17.0 -3.7 59 61 A S E -D 285 0A 20 226,-2.8 226,-2.5 -2,-1.1 4,-0.4 -0.666 34.0-168.9 -91.7 133.2 3.1 17.2 -4.9 60 62 A M S > S+ 0 0 50 -2,-0.4 3,-1.6 224,-0.2 4,-0.4 0.930 93.3 53.7 -73.7 -51.3 -0.1 17.3 -2.8 61 63 A K G > S+ 0 0 39 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.875 101.5 57.4 -54.0 -40.6 -2.3 16.7 -5.8 62 64 A E G > S+ 0 0 89 1,-0.3 3,-1.7 223,-0.2 -1,-0.3 0.678 84.2 80.5 -73.3 -9.7 -0.5 13.6 -7.0 63 65 A T G < S+ 0 0 15 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.754 88.8 60.0 -61.9 -22.8 -1.1 11.8 -3.7 64 66 A A G < S+ 0 0 16 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.470 77.6 121.3 -83.6 -6.5 -4.6 11.1 -5.2 65 67 A A S X S- 0 0 37 -3,-1.7 3,-1.7 1,-0.1 2,-0.1 -0.311 73.3-104.4 -64.0 141.9 -3.3 9.2 -8.3 66 68 A A T 3 S+ 0 0 104 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 -0.366 106.3 21.8 -62.0 137.9 -4.6 5.7 -8.7 67 69 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.442 90.2 133.0 89.0 -10.4 -1.9 3.2 -7.8 68 70 A A < - 0 0 17 -3,-1.7 -1,-0.3 -5,-0.1 2,-0.2 -0.501 69.6 -96.5 -67.5 152.8 0.2 5.6 -5.5 69 71 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.530 52.1-145.4 -65.0 132.4 1.4 4.5 -2.1 70 72 A R - 0 0 58 -2,-0.2 -32,-0.5 1,-0.1 -34,-0.4 -0.896 30.9-160.3-112.2 136.5 -1.2 5.9 0.3 71 73 A L S S- 0 0 14 -2,-0.4 -36,-0.5 1,-0.3 -35,-0.4 0.903 87.0 -24.3 -65.7 -44.3 -1.1 7.3 3.9 72 74 A N S S- 0 0 21 -37,-0.1 -1,-0.3 -38,-0.1 98,-0.2 -0.924 83.3 -74.5-160.7 170.1 -4.9 6.6 4.1 73 75 A A - 0 0 9 96,-2.9 96,-0.4 -2,-0.3 2,-0.1 -0.492 53.1-102.3 -75.1 147.6 -7.9 6.1 1.9 74 76 A L - 0 0 53 -2,-0.2 99,-0.4 1,-0.1 -1,-0.1 -0.427 26.8-171.4 -66.4 141.6 -9.5 9.1 0.3 75 77 A T S S+ 0 0 23 -2,-0.1 -1,-0.1 90,-0.1 105,-0.1 0.317 73.4 47.1-109.1 -2.9 -12.7 10.3 1.9 76 78 A V S S- 0 0 38 104,-0.0 5,-0.1 1,-0.0 101,-0.1 -0.901 105.0 -76.5-129.3 161.5 -13.5 12.8 -1.0 77 79 A P >> - 0 0 35 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.312 50.2-111.6 -57.8 145.2 -13.5 12.4 -4.7 78 80 A P G >4 S+ 0 0 70 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.844 115.3 58.6 -54.4 -29.9 -9.9 12.4 -6.1 79 81 A E G >4 S+ 0 0 112 1,-0.3 3,-1.0 2,-0.2 7,-0.2 0.793 95.9 65.8 -70.1 -21.9 -10.3 15.8 -7.8 80 82 A V G X4 S+ 0 0 9 -3,-1.6 3,-1.7 1,-0.3 -1,-0.3 0.768 82.2 73.9 -74.4 -18.6 -11.1 17.4 -4.5 81 83 A V G << S+ 0 0 28 -3,-1.1 3,-0.3 -4,-0.6 -1,-0.3 0.918 97.2 50.7 -59.7 -31.3 -7.7 16.6 -3.2 82 84 A N G <> S+ 0 0 40 -3,-1.0 4,-2.3 -4,-0.4 -1,-0.3 -0.183 76.2 139.7 -94.0 38.6 -6.6 19.5 -5.5 83 85 A N H <> + 0 0 24 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.914 69.3 44.1 -58.1 -48.3 -9.3 21.7 -4.0 84 86 A M H > S+ 0 0 44 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.902 112.3 52.6 -67.6 -35.0 -7.3 24.9 -3.8 85 87 A G H > S+ 0 0 18 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.922 110.3 48.6 -60.6 -42.0 -5.8 24.5 -7.3 86 88 A N H X S+ 0 0 46 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.908 111.7 49.6 -64.6 -43.1 -9.4 24.0 -8.6 87 89 A I H <>S+ 0 0 0 -4,-2.4 5,-2.4 -5,-0.2 6,-0.5 0.938 113.0 47.2 -61.1 -43.2 -10.5 27.2 -6.7 88 90 A A H ><5S+ 0 0 45 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.956 109.3 52.5 -64.9 -43.9 -7.5 29.1 -8.2 89 91 A D H 3<5S+ 0 0 137 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 106.3 54.9 -62.5 -27.5 -8.1 27.9 -11.7 90 92 A A T 3<5S- 0 0 20 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.402 117.0-115.3 -82.5 -4.6 -11.8 29.1 -11.5 91 93 A G T < 5S+ 0 0 47 -3,-1.8 4,-0.2 -4,-0.2 -3,-0.2 0.726 85.8 115.3 77.7 24.4 -10.5 32.5 -10.6 92 94 A L >< + 0 0 0 -5,-2.4 4,-2.6 -6,-0.2 5,-0.3 0.428 36.5 97.3-105.2 -1.4 -12.1 32.3 -7.1 93 95 A R H > S+ 0 0 87 -6,-0.5 4,-2.8 1,-0.2 5,-0.3 0.949 86.4 46.6 -59.8 -48.6 -9.0 32.4 -4.7 94 96 A K H > S+ 0 0 136 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.942 115.2 46.6 -63.4 -43.5 -9.1 36.1 -3.9 95 97 A A H > S+ 0 0 25 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.935 113.5 46.9 -66.0 -40.8 -12.9 36.0 -3.2 96 98 A V H X S+ 0 0 1 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.963 112.5 50.8 -63.4 -48.1 -12.7 32.9 -1.0 97 99 A M H >< S+ 0 0 51 -4,-2.8 3,-0.7 -5,-0.3 4,-0.2 0.930 109.2 51.3 -58.6 -40.5 -9.8 34.3 0.9 98 100 A K H >< S+ 0 0 145 -4,-2.6 3,-1.0 -5,-0.3 -1,-0.2 0.890 107.1 53.6 -64.2 -39.1 -11.7 37.6 1.5 99 101 A A H 3< S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.2 101,-0.2 0.761 107.3 50.2 -69.8 -19.8 -14.8 35.8 2.8 100 102 A I T << S+ 0 0 10 -4,-1.2 248,-0.3 -3,-0.7 -1,-0.2 0.211 80.3 113.8-109.7 12.5 -13.0 33.8 5.5 101 103 A T X - 0 0 60 -3,-1.0 3,-1.2 -4,-0.2 244,-0.1 -0.610 69.5-129.8 -78.2 147.6 -10.9 36.6 7.2 102 104 A P T 3 S+ 0 0 12 0, 0.0 6,-0.4 0, 0.0 5,-0.1 0.579 94.5 81.7 -75.2 -2.2 -11.9 37.3 10.8 103 105 A K T 3 + 0 0 102 4,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.451 55.3 122.9 -85.0 -3.8 -12.1 41.0 10.0 104 106 A A S X S- 0 0 51 -3,-1.2 3,-2.3 1,-0.1 4,-0.4 -0.373 79.7 -88.8 -54.5 135.2 -15.6 41.1 8.5 105 107 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.179 110.1 8.3 -46.3 133.2 -17.8 43.6 10.5 106 108 A G T 3> S+ 0 0 52 -3,-0.1 4,-1.8 1,-0.1 5,-0.1 0.336 97.9 109.0 82.5 -7.7 -19.5 42.0 13.5 107 109 A L H <> S+ 0 0 9 -3,-2.3 4,-2.5 2,-0.2 5,-0.2 0.960 79.6 42.5 -73.2 -51.6 -17.6 38.7 13.2 108 110 A E H > S+ 0 0 58 -4,-0.4 4,-2.4 -6,-0.4 -1,-0.2 0.872 115.3 50.4 -59.8 -36.4 -15.4 39.0 16.3 109 111 A Q H > S+ 0 0 89 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.883 109.5 52.2 -70.8 -37.1 -18.3 40.3 18.4 110 112 A F H X S+ 0 0 45 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.937 110.0 48.8 -61.8 -44.2 -20.4 37.4 17.2 111 113 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.897 113.1 46.5 -60.3 -46.3 -17.5 35.0 18.3 112 114 A R H X S+ 0 0 74 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.943 113.5 49.0 -68.2 -43.5 -17.3 36.7 21.7 113 115 A D H X S+ 0 0 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H < S+ 0 0 63 -4,-2.3 3,-0.2 2,-0.2 -2,-0.2 0.917 110.6 50.1 -63.4 -41.7 -21.9 27.6 34.6 124 126 A T H < S+ 0 0 120 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.904 110.3 49.1 -61.1 -40.5 -25.6 27.4 35.0 125 127 A E H < S- 0 0 107 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.796 110.9-131.5 -73.6 -28.1 -25.7 23.7 34.5 126 128 A G < - 0 0 31 -4,-1.5 -2,-0.1 -3,-0.2 -1,-0.1 0.243 39.3 -19.6 90.7 153.3 -22.8 23.2 37.1 127 129 A A S S+ 0 0 56 -4,-0.1 266,-0.2 267,-0.1 2,-0.1 -0.243 96.9 57.5 -73.0 148.2 -19.5 21.2 37.0 128 130 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 265,-0.2 0.560 68.4 176.2 -85.4 159.4 -18.3 19.0 35.5 129 131 A A E -F 392 0B 10 263,-2.2 263,-2.7 -2,-0.1 2,-0.8 -0.896 30.8-128.5-121.8 153.9 -18.6 20.4 32.0 130 132 A D E > -F 391 0B 23 -2,-0.3 4,-2.0 261,-0.2 5,-0.2 -0.865 19.1-167.9-102.8 102.5 -17.3 18.9 28.7 131 133 A L T 4>S+ 0 0 0 259,-2.7 5,-3.1 -2,-0.8 6,-0.2 0.618 82.0 50.6 -71.5 -9.2 -15.2 21.6 27.0 132 134 A R T >4>S+ 0 0 6 3,-0.2 5,-2.3 4,-0.2 3,-0.7 0.912 120.1 28.7 -87.2 -60.1 -14.9 19.8 23.7 133 135 A N T 345S+ 0 0 63 1,-0.2 -2,-0.2 4,-0.2 -1,-0.1 0.782 131.5 35.8 -71.2 -30.5 -18.6 18.9 23.0 134 136 A D T 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 3,-0.1 -3,-0.2 0.326 134.0 10.7-111.6 12.5 -20.1 21.8 24.8 135 137 A F T <>5S+ 0 0 0 -3,-0.7 4,-2.3 -5,-0.2 5,-0.2 0.401 122.1 39.6-146.6 -70.4 -17.7 24.6 24.1 136 138 A A H > S+ 0 0 40 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.889 112.0 53.4 -70.9 -31.8 -20.1 24.3 19.1 139 141 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.941 112.5 44.9 -63.5 -49.1 -17.9 27.6 19.0 140 142 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.932 114.0 49.3 -58.7 -38.3 -16.2 26.3 15.8 141 143 A T H X S+ 0 0 12 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.931 112.4 46.6 -68.2 -51.5 -19.5 25.2 14.3 142 144 A A H X S+ 0 0 9 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.914 110.7 53.6 -57.3 -45.8 -21.2 28.5 15.0 143 145 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.929 110.7 46.1 -54.3 -50.8 -18.2 30.4 13.6 144 146 A H H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 6,-0.3 0.842 108.5 54.4 -74.3 -26.5 -18.3 28.5 10.3 145 147 A C H X>S+ 0 0 0 -4,-2.3 5,-1.7 2,-0.2 4,-1.5 0.925 112.8 45.4 -64.6 -45.5 -22.1 28.9 9.9 146 148 A K H <5S+ 0 0 57 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.940 113.4 47.9 -63.2 -47.4 -21.6 32.6 10.3 147 149 A V H <5S+ 0 0 11 -4,-2.5 53,-2.6 1,-0.2 -2,-0.2 0.891 115.7 45.6 -64.1 -36.9 -18.6 32.8 7.9 148 150 A L H <5S- 0 0 1 -4,-2.4 53,-2.2 51,-0.3 54,-0.5 0.675 108.8-124.1 -74.8 -26.7 -20.4 30.7 5.3 149 151 A G T <5 + 0 0 12 -4,-1.5 49,-0.3 1,-0.3 -3,-0.2 0.648 65.0 134.5 83.8 19.6 -23.7 32.7 5.6 150 152 A I < - 0 0 9 -5,-1.7 -1,-0.3 -6,-0.3 -2,-0.1 -0.653 65.4 -82.1-100.8 157.5 -25.8 29.7 6.4 151 153 A P > - 0 0 46 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.285 30.9-134.1 -59.4 140.5 -28.3 29.2 9.1 152 154 A Q G > S+ 0 0 81 1,-0.3 3,-1.3 2,-0.2 -7,-0.1 0.813 103.6 63.9 -61.3 -32.4 -26.9 28.4 12.6 153 155 A E G 3 S+ 0 0 170 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.704 96.2 58.1 -71.0 -15.5 -29.5 25.6 13.0 154 156 A D G <> S+ 0 0 36 -3,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.610 85.3 85.3 -86.4 -14.7 -28.0 23.7 10.1 155 157 A G H <> S+ 0 0 0 -3,-1.3 4,-2.8 -4,-0.5 5,-0.2 0.911 81.9 54.5 -55.8 -44.7 -24.6 23.6 11.8 156 158 A P H > S+ 0 0 87 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.868 109.0 45.8 -62.0 -43.2 -25.1 20.4 14.0 157 159 A K H > S+ 0 0 73 -4,-0.3 4,-0.6 -3,-0.2 -2,-0.2 0.920 114.3 48.8 -67.6 -44.2 -26.1 18.1 11.2 158 160 A L H >< S+ 0 0 7 -4,-1.8 3,-1.2 1,-0.2 4,-0.4 0.925 111.6 52.7 -55.8 -45.0 -23.1 19.4 9.0 159 161 A F H >< S+ 0 0 50 -4,-2.8 3,-2.0 1,-0.3 4,-0.4 0.868 96.6 64.1 -58.0 -41.4 -20.9 18.8 12.0 160 162 A R H 3< S+ 0 0 63 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.648 92.0 65.0 -67.1 -13.7 -21.9 15.3 12.5 161 163 A S T XX S+ 0 0 3 -3,-1.2 4,-2.7 -4,-0.6 3,-1.3 0.716 88.0 76.3 -66.0 -25.3 -20.4 14.2 9.1 162 164 A L H <> S+ 0 0 9 -3,-2.0 4,-1.7 -4,-0.4 -1,-0.2 0.804 77.2 63.6 -72.4 -26.0 -17.0 15.1 10.5 163 165 A S H 34 S+ 0 0 52 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.681 119.8 30.9 -71.5 -14.2 -16.2 12.2 12.8 164 166 A I H X4 S+ 0 0 40 -3,-1.3 3,-1.9 -4,-0.2 -2,-0.2 0.719 114.1 59.8-102.9 -44.7 -16.3 10.1 9.5 165 167 A A H 3< S+ 0 0 27 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.809 110.5 41.4 -59.0 -32.1 -15.1 12.6 7.0 166 168 A F T 3< S+ 0 0 34 -4,-1.7 217,-2.9 -5,-0.2 -1,-0.3 0.221 84.9 131.9-106.7 20.3 -11.8 13.2 8.7 167 169 A M B < -H 382 0C 65 -3,-1.9 2,-0.6 215,-0.2 215,-0.3 -0.293 53.9-140.6 -65.6 150.7 -11.1 9.6 9.5 168 170 A S + 0 0 4 213,-2.3 2,-0.3 212,-0.1 -94,-0.1 -0.907 40.4 169.7-111.8 86.2 -7.6 8.2 8.6 169 171 A S - 0 0 28 -2,-0.6 -96,-2.9 -96,-0.4 -133,-0.1 -0.796 46.1-139.0-108.5 149.0 -8.6 4.8 7.4 170 172 A A S S+ 0 0 35 -2,-0.3 -1,-0.1 -98,-0.2 -100,-0.1 0.748 92.0 36.5 -69.5 -30.9 -6.8 2.0 5.6 171 173 A D S S- 0 0 109 -98,-0.1 -98,-0.2 1,-0.1 -2,-0.1 -0.877 99.7 -79.9-126.5 154.8 -9.8 1.4 3.4 172 174 A P - 0 0 105 0, 0.0 -97,-0.1 0, 0.0 -1,-0.1 -0.195 42.5-134.0 -52.7 147.4 -12.6 3.4 1.7 173 175 A I >> - 0 0 28 -99,-0.4 4,-1.2 1,-0.2 3,-1.0 -0.905 9.7-160.7-115.1 106.6 -15.4 4.4 4.0 174 176 A P H >> S+ 0 0 105 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.903 92.4 55.6 -56.7 -41.9 -19.0 3.9 2.7 175 177 A A H 3> S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.826 98.7 63.2 -62.0 -29.1 -20.5 6.4 5.2 176 178 A A H <> S+ 0 0 6 -3,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.898 104.5 45.6 -60.2 -40.3 -18.1 9.1 4.0 177 179 A K H X S+ 0 0 41 -4,-2.2 3,-0.9 1,-0.2 4,-0.7 0.910 106.4 54.8 -59.2 -38.9 -29.5 24.1 -2.3 190 192 A I H >< S+ 0 0 6 -4,-2.3 3,-1.0 1,-0.3 6,-0.2 0.899 103.7 54.2 -61.4 -46.4 -27.8 27.0 -0.5 191 193 A L H 3< S+ 0 0 4 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.751 112.1 44.0 -59.3 -24.9 -26.6 28.4 -3.8 192 194 A E H << S+ 0 0 91 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.405 92.2 103.7 -99.5 -2.6 -30.1 28.4 -5.2 193 195 A N X< - 0 0 49 -3,-1.0 3,-1.9 -4,-0.7 12,-0.1 -0.685 59.2-156.7 -93.7 110.6 -31.6 29.9 -1.9 194 196 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.757 88.8 65.0 -63.7 -18.3 -32.5 33.6 -2.3 195 197 A N T 3 S+ 0 0 133 1,-0.1 2,-1.1 2,-0.1 3,-0.2 0.650 82.0 87.2 -76.1 -8.9 -32.2 34.2 1.5 196 198 A I < + 0 0 15 -3,-1.9 -1,-0.1 -6,-0.2 9,-0.1 -0.669 44.2 133.3-100.5 101.9 -28.5 33.4 1.5 197 199 A T + 0 0 79 -2,-1.1 2,-0.2 -48,-0.2 -1,-0.2 0.439 51.2 66.9-132.0 1.1 -26.8 36.7 0.7 198 200 A T S > S+ 0 0 88 -49,-0.3 4,-1.6 -3,-0.2 3,-0.1 -0.684 81.1 16.6-122.2 170.9 -24.0 37.0 3.2 199 201 A G H > S- 0 0 30 -2,-0.2 4,-2.1 2,-0.2 -51,-0.3 -0.025 110.2 -38.1 67.9-166.3 -20.7 35.2 4.0 200 202 A L H > S+ 0 0 1 -53,-2.6 4,-2.8 -101,-0.2 5,-0.2 0.931 140.3 47.8 -63.2 -43.8 -18.8 32.8 1.7 201 203 A M H > S+ 0 0 0 -53,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.837 110.1 51.7 -67.7 -36.1 -22.0 31.2 0.3 202 204 A G H X S+ 0 0 1 -4,-1.6 4,-1.4 -54,-0.5 -1,-0.2 0.910 113.0 46.0 -67.2 -39.0 -23.7 34.5 -0.4 203 205 A E H X S+ 0 0 61 -4,-2.1 4,-2.6 1,-0.2 3,-0.5 0.958 112.9 48.6 -70.9 -44.7 -20.6 35.7 -2.3 204 206 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.3 -1,-0.2 0.854 108.6 56.2 -58.7 -42.1 -20.3 32.4 -4.3 205 207 A S H X S+ 0 0 26 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.3 0.860 109.8 43.8 -59.6 -40.6 -23.9 32.6 -5.1 206 208 A R H >< S+ 0 0 122 -4,-1.4 3,-1.2 -3,-0.5 4,-0.3 0.900 113.1 50.7 -68.8 -50.5 -23.5 36.1 -6.7 207 209 A L H >< S+ 0 0 20 -4,-2.6 3,-1.7 1,-0.3 6,-0.3 0.886 101.2 64.3 -59.6 -35.6 -20.3 35.1 -8.5 208 210 A R H 3< S+ 0 0 38 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.792 107.2 42.9 -54.1 -32.1 -22.2 32.0 -9.9 209 211 A K T << S+ 0 0 149 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.341 92.6 102.4-101.7 4.8 -24.5 34.4 -11.8 210 212 A D S X S- 0 0 69 -3,-1.7 3,-2.4 -4,-0.3 4,-0.2 -0.706 76.6-128.8 -87.4 138.2 -21.8 36.7 -13.0 211 213 A P G > S+ 0 0 107 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.812 105.9 66.5 -58.3 -31.2 -20.8 36.4 -16.6 212 214 A A G 3 S+ 0 0 78 1,-0.2 3,-0.1 2,-0.1 -4,-0.1 0.691 111.4 35.4 -62.1 -13.8 -17.1 36.2 -15.7 213 215 A Y G X S+ 0 0 54 -3,-2.4 3,-1.8 -6,-0.3 -1,-0.2 0.120 77.0 119.8-128.1 15.4 -17.9 32.8 -13.9 214 216 A S T < S+ 0 0 77 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.721 78.1 47.2 -62.5 -18.8 -20.5 31.3 -16.2 215 217 A H T 3 S+ 0 0 199 -4,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.289 83.6 110.1-107.3 11.6 -18.4 28.2 -17.0 216 218 A V S < S- 0 0 25 -3,-1.8 -3,-0.1 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