==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAY-13 4L0F . COMPND 2 MOLECULE: P450 MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR M.J.CRYLE . 437 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 2 0.5 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 . 24 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 2 0 2 2 1 2 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 3 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 -14 A H 0 0 207 0, 0.0 22,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 131.2 17.3 -24.1 38.8 2 -13 A H + 0 0 156 20,-0.1 21,-2.6 1,-0.1 2,-0.3 0.837 360.0 17.9 -66.6 -37.7 21.0 -23.2 38.2 3 -12 A S E -A 22 0A 51 19,-0.3 2,-0.3 38,-0.1 -1,-0.1 -0.893 65.4-151.0-136.9 159.7 21.1 -25.6 35.2 4 -11 A S E -A 21 0A 26 17,-2.6 17,-2.7 -2,-0.3 2,-0.4 -0.970 27.8-109.2-130.6 149.8 18.9 -27.4 32.8 5 -10 A G E -A 20 0A 52 -2,-0.3 15,-0.2 15,-0.2 4,-0.1 -0.626 17.6-149.2 -72.7 130.6 19.2 -30.7 30.9 6 -9 A L S S+ 0 0 82 13,-2.1 -1,-0.2 -2,-0.4 14,-0.1 0.929 91.1 54.2 -64.1 -43.0 19.6 -30.1 27.1 7 -8 A V S S- 0 0 28 12,-0.3 -1,-0.2 8,-0.1 11,-0.1 -0.824 99.7-118.7 -95.1 113.7 17.8 -33.4 26.4 8 -7 A P > - 0 0 28 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.179 18.5-123.5 -52.3 143.6 14.4 -33.5 28.1 9 -6 A R T 3 S+ 0 0 242 1,-0.3 6,-0.0 -4,-0.1 -2,-0.0 0.792 110.8 57.4 -62.1 -27.2 14.1 -36.3 30.7 10 -5 A G T 3 S+ 0 0 52 270,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.492 79.8 127.2 -81.4 -4.4 11.0 -37.7 28.8 11 -4 A S < - 0 0 9 -3,-1.9 269,-0.2 1,-0.1 268,-0.1 -0.130 57.1-145.0 -54.2 146.4 13.0 -38.0 25.5 12 -3 A H S S- 0 0 130 267,-2.6 2,-0.3 266,-0.1 268,-0.1 0.713 79.2 -0.6 -85.1 -22.8 12.8 -41.4 23.8 13 -2 A S S S+ 0 0 11 266,-0.8 -1,-0.1 1,-0.1 386,-0.1 -0.928 93.5 72.9-154.7 174.7 16.4 -41.1 22.6 14 -1 A G > + 0 0 11 384,-0.6 3,-1.2 -2,-0.3 385,-0.1 0.448 59.4 124.5 93.2 3.2 19.5 -38.8 22.5 15 0 A H G > + 0 0 88 1,-0.3 3,-1.2 2,-0.2 -8,-0.1 0.762 62.1 64.1 -69.9 -27.3 20.4 -39.5 26.2 16 1 A M G 3 S+ 0 0 184 1,-0.3 -1,-0.3 384,-0.0 385,-0.1 0.557 108.6 41.0 -76.9 -8.3 23.9 -40.6 25.5 17 2 A T G < S+ 0 0 38 -3,-1.2 -1,-0.3 383,-0.1 2,-0.2 -0.002 86.9 134.6-125.2 27.2 24.9 -37.2 24.1 18 3 A A < + 0 0 43 -3,-1.2 2,-0.3 -12,-0.1 -3,-0.1 -0.517 27.5 178.0 -75.8 142.5 23.1 -35.1 26.7 19 4 A H - 0 0 97 -2,-0.2 -13,-2.1 -15,-0.0 -12,-0.3 -0.974 25.2-120.4-140.4 150.5 24.8 -32.1 28.4 20 5 A T E -A 5 0A 100 -2,-0.3 -15,-0.2 -15,-0.2 -17,-0.0 -0.637 21.7-157.6 -90.1 153.1 23.5 -29.6 30.9 21 6 A L E -A 4 0A 23 -17,-2.7 -17,-2.6 -2,-0.2 20,-0.2 -0.985 22.2-111.8-126.8 140.9 23.4 -25.8 30.3 22 7 A P E -A 3 0A 52 0, 0.0 20,-3.1 0, 0.0 -19,-0.3 -0.336 19.0-140.8 -63.4 153.8 23.3 -23.0 32.8 23 8 A I - 0 0 28 -21,-2.6 20,-0.1 18,-0.2 18,-0.1 -0.898 24.0-148.3-113.6 92.3 20.1 -21.0 33.1 24 9 A P + 0 0 16 0, 0.0 22,-0.2 0, 0.0 21,-0.1 -0.352 25.3 174.9 -64.7 145.6 21.4 -17.4 33.6 25 10 A D + 0 0 104 1,-0.1 2,-0.9 20,-0.1 3,-0.1 0.454 57.7 88.4-125.2 -8.4 19.3 -15.0 35.7 26 11 A D > - 0 0 74 1,-0.2 3,-2.1 2,-0.0 4,-0.2 -0.813 60.5-161.5 -97.4 102.7 21.6 -12.1 35.8 27 12 A I G > S+ 0 0 14 -2,-0.9 3,-1.6 1,-0.3 -1,-0.2 0.822 85.9 66.2 -47.6 -39.8 20.8 -9.9 32.8 28 13 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.655 93.6 59.1 -62.8 -17.6 24.2 -8.1 33.1 29 14 A T G < S+ 0 0 91 -3,-2.1 2,-0.5 2,-0.0 -1,-0.3 0.412 86.6 91.7 -94.2 1.4 26.2 -11.3 32.2 30 15 A I < - 0 0 10 -3,-1.6 2,-0.7 -4,-0.2 -1,-0.0 -0.873 52.8-166.1-109.8 123.4 24.7 -12.0 28.8 31 16 A N > - 0 0 46 -2,-0.5 3,-1.0 1,-0.1 6,-0.3 -0.908 1.4-170.0-105.1 105.1 26.1 -10.6 25.5 32 17 A L T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.2 6,-0.1 0.644 82.4 63.6 -69.7 -16.7 23.5 -11.0 22.8 33 18 A T T 3 S+ 0 0 25 62,-0.1 -1,-0.2 4,-0.0 375,-0.1 0.688 84.9 86.9 -80.5 -20.6 26.0 -10.1 20.1 34 19 A D X - 0 0 34 -3,-1.0 3,-1.0 1,-0.2 4,-0.4 -0.723 68.1-153.4 -83.7 117.6 28.1 -13.2 20.8 35 20 A P T > S+ 0 0 44 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.819 93.2 66.3 -55.9 -29.1 26.9 -16.3 18.9 36 21 A R T >> S+ 0 0 171 1,-0.3 4,-1.9 2,-0.2 3,-1.4 0.837 85.2 71.7 -64.8 -33.6 28.3 -18.5 21.7 37 22 A T H <> S+ 0 0 9 -3,-1.0 4,-0.8 -6,-0.3 -1,-0.3 0.819 95.2 52.8 -45.1 -39.9 25.8 -17.1 24.2 38 23 A Y H <4 S+ 0 0 13 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.686 113.7 40.9 -78.6 -19.7 23.0 -19.1 22.4 39 24 A E H <4 S+ 0 0 46 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.632 116.4 46.7-100.6 -21.9 24.7 -22.4 22.6 40 25 A V H < S+ 0 0 80 -4,-1.9 2,-0.3 -19,-0.1 -2,-0.2 0.465 110.2 53.9-102.6 -0.2 26.2 -22.1 26.1 41 26 A N < - 0 0 26 -4,-0.8 2,-0.8 -5,-0.2 -18,-0.2 -0.972 66.3-137.8-133.5 146.9 23.0 -20.9 27.9 42 27 A D - 0 0 44 -20,-3.1 3,-0.5 -2,-0.3 4,-0.3 -0.933 27.2-170.7 -93.8 106.4 19.4 -21.8 28.4 43 28 A L > + 0 0 15 -2,-0.8 4,-2.7 1,-0.2 5,-0.3 0.277 52.6 108.4 -85.2 9.4 18.0 -18.3 28.1 44 29 A S H > S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 85.5 40.0 -53.9 -47.1 14.4 -19.1 29.2 45 30 A E H > S+ 0 0 53 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.856 112.4 58.1 -72.1 -35.9 14.8 -17.3 32.5 46 31 A Y H > S+ 0 0 0 -4,-0.3 4,-2.1 -22,-0.2 -2,-0.2 0.946 108.8 43.4 -56.1 -53.0 16.7 -14.5 30.9 47 32 A W H X S+ 0 0 9 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.864 112.9 52.9 -65.1 -35.8 13.9 -13.7 28.5 48 33 A R H X S+ 0 0 105 -4,-1.7 4,-2.4 -5,-0.3 5,-0.2 0.903 108.4 50.6 -65.5 -40.0 11.3 -14.0 31.2 49 34 A Q H X>S+ 0 0 51 -4,-2.5 4,-1.8 2,-0.2 5,-0.6 0.910 112.4 47.0 -62.3 -41.6 13.2 -11.5 33.3 50 35 A L H X5S+ 0 0 0 -4,-2.1 4,-1.8 3,-0.2 -2,-0.2 0.949 113.4 48.2 -64.5 -48.4 13.4 -9.1 30.4 51 36 A R H <5S+ 0 0 5 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.899 120.1 36.3 -57.4 -42.3 9.6 -9.5 29.7 52 37 A T H <5S+ 0 0 63 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.715 135.1 15.8 -89.6 -22.3 8.5 -9.0 33.3 53 38 A T H <5S+ 0 0 97 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.598 135.3 23.5-127.8 -21.6 11.0 -6.4 34.5 54 39 A R << + 0 0 117 -4,-1.8 -2,-0.1 -5,-0.6 -3,-0.1 -0.300 58.1 163.3-146.2 57.4 12.7 -4.7 31.6 55 40 A P S S+ 0 0 16 0, 0.0 17,-1.2 0, 0.0 2,-0.5 0.717 82.4 43.1 -59.9 -22.9 10.5 -5.1 28.4 56 41 A L E S-B 71 0B 17 15,-0.2 2,-0.4 267,-0.1 15,-0.2 -0.955 86.3-179.2-118.3 108.6 12.6 -2.3 26.7 57 42 A Y E -B 70 0B 9 13,-2.3 13,-2.3 -2,-0.5 2,-1.0 -0.919 26.3-141.8-118.8 128.8 16.2 -3.1 27.6 58 43 A W E -B 69 0B 87 -2,-0.4 11,-0.2 11,-0.2 -2,-0.0 -0.769 18.4-154.8 -90.8 101.0 19.3 -1.2 26.6 59 44 A H E -B 68 0B 5 9,-2.8 9,-1.9 -2,-1.0 3,-0.1 -0.575 26.5-114.5 -68.8 131.1 22.0 -3.7 25.8 60 45 A P - 0 0 64 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.130 33.1 -83.6 -65.5 164.4 25.4 -2.1 26.4 61 46 A P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 6,-0.2 -0.460 40.4-158.3 -56.9 136.6 28.1 -1.3 23.8 62 47 A V > - 0 0 50 3,-0.4 3,-2.1 4,-0.3 2,-0.1 -0.999 57.1 -43.3-120.6 125.7 30.3 -4.3 23.0 63 48 A G T 3 S- 0 0 76 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.334 125.0 -19.1 55.0-124.0 33.8 -3.5 21.5 64 49 A D T 3 S+ 0 0 181 -2,-0.1 -1,-0.3 -3,-0.0 0, 0.0 0.374 116.3 103.4 -94.8 4.0 33.5 -0.9 18.8 65 50 A A S < S- 0 0 24 -3,-2.1 -3,-0.4 1,-0.1 35,-0.1 -0.568 72.4-116.0 -87.2 148.4 29.7 -1.5 18.4 66 51 A P - 0 0 62 0, 0.0 -4,-0.3 0, 0.0 -1,-0.1 -0.317 32.9-100.2 -72.1 163.2 26.9 0.7 19.8 67 52 A G - 0 0 3 -6,-0.2 265,-0.5 -2,-0.0 2,-0.3 -0.146 42.7-159.0 -66.7 175.9 24.4 -0.3 22.4 68 53 A F E -B 59 0B 1 -9,-1.9 -9,-2.8 263,-0.1 265,-0.2 -0.972 19.5-103.4-162.3 148.1 21.0 -1.4 21.3 69 54 A W E -Bc 58 333B 18 263,-2.8 265,-2.5 -2,-0.3 2,-0.5 -0.470 27.5-154.9 -71.5 142.1 17.4 -1.8 22.5 70 55 A V E -Bc 57 334B 0 -13,-2.3 -13,-2.3 263,-0.2 2,-0.5 -0.992 5.3-164.6-120.7 121.6 16.1 -5.3 23.1 71 56 A V E +Bc 56 335B 0 263,-2.8 265,-2.3 -2,-0.5 269,-0.2 -0.947 15.4 167.1-111.4 122.4 12.4 -5.8 22.9 72 57 A S + 0 0 0 -17,-1.2 2,-0.2 -2,-0.5 -21,-0.2 0.685 40.6 92.0-114.1 -23.3 11.2 -9.1 24.5 73 58 A R > - 0 0 84 -18,-0.4 4,-2.9 -23,-0.1 5,-0.2 -0.548 69.2-132.8 -81.7 141.3 7.4 -9.1 24.8 74 59 A Y H > S+ 0 0 23 -2,-0.2 4,-2.8 266,-0.2 5,-0.3 0.939 107.1 51.7 -53.1 -49.4 5.1 -10.5 22.1 75 60 A A H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 114.8 42.1 -58.8 -40.1 2.8 -7.4 22.1 76 61 A D H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 113.0 51.9 -75.5 -39.5 5.8 -5.0 21.7 77 62 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.942 113.4 45.7 -59.1 -50.5 7.6 -7.1 19.1 78 63 A M H X S+ 0 0 44 -4,-2.8 4,-1.3 -5,-0.2 -2,-0.2 0.908 112.6 50.5 -58.1 -46.9 4.4 -7.2 17.1 79 64 A A H X S+ 0 0 54 -4,-2.2 4,-0.6 -5,-0.3 -1,-0.2 0.869 112.5 45.9 -63.2 -38.2 3.7 -3.5 17.5 80 65 A L H >< S+ 0 0 17 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.857 106.6 57.1 -77.7 -33.1 7.2 -2.5 16.4 81 66 A Y H 3< S+ 0 0 7 -4,-2.1 289,-0.3 1,-0.2 -1,-0.2 0.841 103.6 58.8 -57.5 -34.2 7.3 -4.8 13.4 82 67 A K H 3< S+ 0 0 130 -4,-1.3 2,-0.9 286,-0.2 -1,-0.2 0.779 91.5 75.3 -67.6 -30.3 4.2 -2.9 12.3 83 68 A D << + 0 0 46 -3,-0.7 4,-0.3 -4,-0.6 -1,-0.1 -0.747 39.8 157.1 -97.3 102.3 5.8 0.5 12.2 84 69 A N S S+ 0 0 34 -2,-0.9 31,-0.3 2,-0.1 5,-0.1 0.007 71.1 66.4-107.7 28.6 8.1 1.2 9.2 85 70 A K S S+ 0 0 167 3,-0.1 -1,-0.1 29,-0.1 -2,-0.1 0.757 112.0 26.0-107.8 -52.3 7.6 4.9 9.5 86 71 A K S S+ 0 0 100 231,-0.1 231,-3.7 230,-0.1 232,-1.1 0.620 129.7 50.4 -86.8 -18.3 9.3 5.7 12.8 87 72 A L E S-D 316 0B 0 -4,-0.3 2,-0.3 229,-0.3 229,-0.2 -0.904 73.8-162.8-115.1 148.4 11.5 2.6 12.4 88 73 A T E -D 315 0B 22 227,-2.2 227,-1.9 -2,-0.3 3,-0.2 -0.969 26.4-162.0-130.8 148.4 13.5 1.7 9.2 89 74 A S S > S+ 0 0 0 -2,-0.3 3,-1.7 225,-0.2 5,-0.1 0.287 75.0 97.6 -96.8 4.6 15.1 -1.5 7.8 90 75 A E T 3 S+ 0 0 72 1,-0.3 13,-0.4 225,-0.2 -1,-0.1 0.465 81.0 51.0 -80.2 0.9 17.3 0.7 5.5 91 76 A K T 3 S- 0 0 83 1,-0.5 -1,-0.3 -3,-0.2 10,-0.2 0.075 133.2 -69.5-114.0 16.1 20.3 0.6 7.9 92 77 A G < - 0 0 0 -3,-1.7 -1,-0.5 11,-0.1 -4,-0.1 -0.171 33.0-126.4 108.3 157.5 20.0 -3.2 8.1 93 78 A N S S+ 0 0 25 -3,-0.1 220,-2.7 -2,-0.1 2,-0.3 0.309 84.8 49.8-123.9 6.2 17.5 -5.7 9.6 94 79 A V S > S- 0 0 15 218,-0.2 4,-2.9 -5,-0.1 3,-0.4 -0.923 91.6 -98.4-137.7 167.4 19.8 -7.9 11.8 95 80 A L H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.882 114.9 58.0 -53.6 -46.1 22.5 -7.3 14.5 96 81 A V H > S+ 0 0 106 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.904 118.0 30.8 -58.7 -44.0 25.5 -7.7 12.2 97 82 A T H >>S+ 0 0 25 -3,-0.4 5,-2.1 2,-0.2 4,-1.0 0.908 117.9 55.6 -79.9 -41.8 24.4 -4.9 9.8 98 83 A L H ><5S+ 0 0 2 -4,-2.9 3,-0.8 1,-0.2 -2,-0.2 0.922 111.5 43.5 -54.5 -47.3 22.6 -2.8 12.3 99 84 A L H 3<5S+ 0 0 32 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.743 109.5 58.8 -72.6 -22.2 25.7 -2.5 14.6 100 85 A A H 3<5S- 0 0 81 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.609 118.5-109.2 -80.6 -14.5 27.9 -2.0 11.5 101 86 A G T <<5S- 0 0 39 -4,-1.0 2,-0.3 -3,-0.8 -3,-0.2 0.548 78.5 -13.1 96.6 9.3 26.0 1.2 10.5 102 87 A G < - 0 0 24 -5,-2.1 2,-0.4 -11,-0.2 -11,-0.2 -0.893 59.9-100.3 154.8 179.6 24.2 -0.2 7.5 103 88 A D > - 0 0 45 -13,-0.4 3,-2.1 -2,-0.3 -11,-0.1 -0.999 22.6-140.6-138.2 125.1 23.7 -2.8 4.7 104 89 A S T 3 S+ 0 0 101 -2,-0.4 -1,-0.1 1,-0.3 -13,-0.0 0.655 103.5 60.2 -64.7 -16.7 25.0 -2.2 1.2 105 90 A A T >> S+ 0 0 4 3,-0.1 4,-2.2 2,-0.1 3,-2.0 0.384 77.5 135.6 -87.4 2.4 21.8 -3.7 -0.2 106 91 A A T <4 S+ 0 0 28 -3,-2.1 7,-0.2 1,-0.3 -16,-0.1 -0.236 72.1 13.8 -56.6 136.4 19.7 -1.0 1.5 107 92 A G T 34 S+ 0 0 27 5,-2.3 -1,-0.3 2,-0.3 6,-0.2 0.310 127.1 59.6 81.9 -8.0 17.1 0.5 -0.7 108 93 A K T <4 S+ 0 0 61 -3,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.748 91.7 59.5-117.2 -50.3 17.4 -2.3 -3.3 109 94 A M S >< S- 0 0 17 -4,-2.2 3,-1.8 3,-0.1 -2,-0.3 -0.718 83.8-121.1 -91.0 138.7 16.7 -5.6 -1.5 110 95 A L G > S+ 0 0 12 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.845 107.2 53.5 -41.5 -52.5 13.2 -6.1 0.0 111 96 A A G 3 S+ 0 0 37 1,-0.3 -1,-0.3 -5,-0.0 -5,-0.1 0.610 116.5 38.0 -71.4 -14.5 14.4 -6.8 3.6 112 97 A V G < S+ 0 0 2 -3,-1.8 -5,-2.3 -7,-0.2 2,-0.3 -0.087 103.5 86.0-123.5 33.2 16.5 -3.6 3.8 113 98 A T < + 0 0 0 -3,-1.7 2,-0.2 -7,-0.2 -7,-0.0 -0.986 48.4 175.2-134.0 139.1 14.1 -1.3 1.8 114 99 A D > + 0 0 12 -2,-0.3 4,-1.4 4,-0.1 3,-0.5 -0.576 42.7 35.5-125.9-168.8 11.1 0.8 3.0 115 100 A G H > S- 0 0 50 -31,-0.3 4,-2.1 1,-0.2 3,-0.2 -0.075 115.4 -20.8 63.0-155.6 8.6 3.3 1.5 116 101 A A H > S+ 0 0 69 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.822 134.9 56.6 -59.1 -38.7 7.3 3.2 -2.0 117 102 A M H > S+ 0 0 55 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.935 108.3 47.8 -62.9 -43.8 10.1 1.0 -3.4 118 103 A H H X S+ 0 0 7 -4,-1.4 4,-2.8 -3,-0.2 5,-0.2 0.953 115.0 44.3 -59.3 -50.0 9.4 -1.7 -0.8 119 104 A R H X S+ 0 0 126 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.904 112.6 53.6 -63.6 -37.8 5.6 -1.6 -1.5 120 105 A G H X S+ 0 0 10 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.925 111.0 45.4 -60.6 -46.5 6.4 -1.6 -5.3 121 106 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.940 114.4 47.3 -62.7 -46.5 8.6 -4.7 -5.0 122 107 A R H X S+ 0 0 38 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.913 112.3 52.2 -60.5 -42.9 6.1 -6.5 -2.8 123 108 A N H >< S+ 0 0 76 -4,-2.8 3,-0.9 -5,-0.2 4,-0.5 0.908 106.2 51.2 -60.7 -45.4 3.3 -5.5 -5.2 124 109 A V H 3< S+ 0 0 33 -4,-2.4 3,-0.3 1,-0.2 4,-0.3 0.872 113.8 47.3 -62.1 -31.6 5.2 -6.8 -8.3 125 110 A L H 3X S+ 0 0 1 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.523 84.9 94.2 -87.0 -8.4 5.7 -10.2 -6.5 126 111 A L T X< S+ 0 0 94 -3,-0.9 3,-0.5 -4,-0.8 4,-0.4 0.892 85.0 46.9 -53.4 -48.8 2.1 -10.6 -5.2 127 112 A K G >4 S+ 0 0 174 -4,-0.5 3,-1.4 -3,-0.3 6,-0.3 0.938 109.1 55.9 -63.8 -40.7 0.8 -12.8 -8.1 128 113 A S G 34 S+ 0 0 17 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.757 110.8 44.5 -57.7 -31.5 3.9 -15.1 -7.9 129 114 A F G << S+ 0 0 25 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.291 83.4 118.7-103.6 7.9 3.3 -15.9 -4.3 130 115 A S S <> S- 0 0 39 -3,-1.4 4,-2.3 -4,-0.4 5,-0.2 -0.429 74.5-119.6 -68.3 147.1 -0.5 -16.5 -4.4 131 116 A P H > S+ 0 0 73 0, 0.0 4,-0.8 0, 0.0 7,-0.2 0.866 115.7 55.4 -57.4 -35.1 -1.5 -20.0 -3.4 132 117 A Q H >4 S+ 0 0 175 1,-0.2 3,-0.7 2,-0.2 -4,-0.1 0.947 111.7 42.3 -61.3 -49.1 -3.0 -20.5 -6.8 133 118 A A H 34 S+ 0 0 44 -6,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.813 114.3 52.0 -63.7 -34.4 0.3 -19.6 -8.5 134 119 A L H 3X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 3,-0.3 0.520 80.2 98.4 -85.3 -5.7 2.3 -21.7 -6.0 135 120 A K H S+ 0 0 88 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.892 114.3 49.1 -61.2 -33.9 2.7 -26.6 -8.9 137 122 A I H > S+ 0 0 22 -4,-0.3 4,-1.9 -3,-0.3 -2,-0.2 0.940 111.6 47.6 -68.6 -43.3 5.5 -25.7 -6.5 138 123 A V H X S+ 0 0 37 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.914 109.2 55.0 -64.5 -41.5 3.7 -27.1 -3.5 139 124 A D H X S+ 0 0 75 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.901 109.8 46.4 -55.3 -42.2 2.9 -30.2 -5.5 140 125 A Q H X S+ 0 0 78 -4,-1.7 4,-3.1 1,-0.2 5,-0.3 0.792 104.4 60.6 -77.4 -27.4 6.6 -30.7 -6.2 141 126 A I H X S+ 0 0 3 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.929 106.9 48.1 -59.8 -44.0 7.5 -30.1 -2.5 142 127 A R H X S+ 0 0 101 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.928 114.0 45.1 -62.1 -47.9 5.3 -33.1 -1.6 143 128 A V H X S+ 0 0 62 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.946 117.9 43.6 -61.5 -51.1 6.9 -35.3 -4.3 144 129 A N H X S+ 0 0 19 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.912 116.0 46.6 -63.0 -45.4 10.4 -34.2 -3.4 145 130 A T H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.3 5,-0.2 0.913 111.9 50.8 -66.0 -43.1 9.9 -34.4 0.3 146 131 A T H X S+ 0 0 4 -4,-2.7 4,-2.9 -5,-0.3 5,-0.2 0.925 109.5 50.8 -59.3 -46.2 8.3 -37.8 0.1 147 132 A R H X S+ 0 0 89 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.911 112.3 46.9 -56.6 -47.0 11.1 -39.2 -2.0 148 133 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.898 114.8 45.0 -64.0 -43.3 13.8 -38.0 0.5 149 134 A V H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.919 113.7 49.6 -70.5 -44.2 12.0 -39.3 3.6 150 135 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.942 112.1 48.2 -56.7 -48.7 11.2 -42.7 1.9 151 136 A D H X S+ 0 0 57 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.906 113.3 47.4 -61.0 -45.8 14.9 -43.0 0.8 152 137 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 268,-0.3 0.908 111.3 50.7 -61.2 -44.6 16.2 -42.1 4.3 153 138 A A H < S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.861 106.9 56.0 -60.2 -36.7 13.7 -44.6 6.0 154 139 A R H < S+ 0 0 120 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.918 112.4 41.4 -61.0 -45.7 14.9 -47.3 3.6 155 140 A R H < S- 0 0 131 -4,-1.7 2,-1.2 1,-0.2 -1,-0.2 0.724 89.1-158.0 -74.4 -28.0 18.5 -46.8 4.8 156 141 A G < + 0 0 14 -4,-1.6 264,-1.6 -5,-0.1 2,-0.4 -0.700 68.2 64.0 81.7 -93.7 17.8 -46.4 8.5 157 142 A E E +F 419 0C 84 -2,-1.2 2,-0.3 262,-0.2 262,-0.2 -0.495 69.5 131.5 -71.8 119.5 20.9 -44.6 9.7 158 143 A C E -F 418 0C 11 260,-3.0 260,-2.7 -2,-0.4 2,-0.7 -0.899 61.7-101.9-150.3 177.1 21.4 -41.1 8.2 159 144 A D E > -F 417 0C 33 -2,-0.3 4,-2.8 258,-0.2 5,-0.4 -0.956 30.5-155.8-103.9 110.8 22.1 -37.4 8.9 160 145 A F H >>S+ 0 0 2 256,-2.8 5,-2.2 -2,-0.7 4,-1.4 0.842 89.8 52.7 -57.1 -37.9 18.6 -35.9 8.7 161 146 A A H 4>S+ 0 0 1 255,-0.2 5,-3.1 3,-0.2 6,-0.2 0.963 118.7 32.1 -58.9 -57.4 20.1 -32.4 7.9 162 147 A A H 45S+ 0 0 28 3,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.890 124.8 42.5 -69.1 -41.4 22.3 -33.5 4.9 163 148 A D H <5S+ 0 0 41 -4,-2.8 -3,-0.2 3,-0.1 -1,-0.2 0.678 134.5 4.3 -87.5 -21.2 20.1 -36.4 3.6 164 149 A V T ><5S+ 0 0 1 -4,-1.4 3,-0.8 -5,-0.4 -3,-0.2 0.621 126.4 45.0-125.3 -63.7 16.6 -34.8 3.8 165 150 A A G > S+ 0 0 1 -3,-1.5 4,-2.1 3,-0.1 5,-0.2 0.811 97.6 47.5-111.4 -55.5 14.3 -29.4 -0.1 169 154 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.907 110.7 50.3 -64.9 -39.6 14.5 -25.6 0.3 170 155 A L H X S+ 0 0 8 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.890 111.8 49.9 -67.5 -33.4 16.9 -24.8 -2.5 171 156 A N H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 111.5 48.5 -64.0 -41.8 14.8 -27.0 -4.9 172 157 A T H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.957 115.5 43.9 -59.2 -50.4 11.6 -25.1 -3.8 173 158 A I H X S+ 0 0 10 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.893 111.9 53.2 -65.6 -40.0 13.4 -21.8 -4.3 174 159 A S H X>S+ 0 0 1 -4,-2.7 5,-2.9 -5,-0.2 4,-1.7 0.879 109.2 49.1 -61.1 -41.2 14.9 -22.9 -7.6 175 160 A D H <5S+ 0 0 43 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.934 111.7 50.1 -59.3 -45.9 11.4 -23.9 -8.9 176 161 A L H <5S+ 0 0 10 -4,-2.3 57,-2.1 1,-0.2 -2,-0.2 0.900 116.0 40.5 -62.9 -43.2 10.2 -20.5 -7.8 177 162 A L H <5S- 0 0 0 -4,-2.8 57,-0.9 55,-0.2 58,-0.3 0.744 112.9-116.3 -75.3 -23.8 13.0 -18.6 -9.6 178 163 A G T <5 + 0 0 18 -4,-1.7 -3,-0.2 1,-0.2 -4,-0.1 0.791 50.3 170.0 83.0 34.0 12.8 -20.9 -12.7 179 164 A V < - 0 0 1 -5,-2.9 -1,-0.2 -6,-0.2 5,-0.1 -0.723 38.4-112.9 -76.8 122.6 16.4 -22.3 -12.2 180 165 A P > - 0 0 52 0, 0.0 3,-0.9 0, 0.0 4,-0.4 -0.054 17.8-117.2 -55.0 153.6 16.8 -25.2 -14.6 181 166 A A G > S+ 0 0 83 1,-0.2 3,-1.5 2,-0.2 4,-0.4 0.919 114.3 58.8 -57.1 -44.4 17.2 -28.7 -13.2 182 167 A A G 3 S+ 0 0 88 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.669 105.8 47.8 -58.8 -24.5 20.7 -28.9 -14.8 183 168 A D G <> S+ 0 0 49 -3,-0.9 4,-3.0 1,-0.1 -1,-0.3 0.435 86.3 89.1 -99.3 -1.3 21.9 -25.9 -12.8 184 169 A R H <> S+ 0 0 44 -3,-1.5 4,-2.1 -4,-0.4 -2,-0.1 0.860 90.1 44.1 -71.1 -38.1 20.7 -26.9 -9.4 185 170 A E H > S+ 0 0 153 -4,-0.4 4,-2.0 2,-0.2 5,-0.2 0.951 114.4 51.9 -63.1 -52.6 23.7 -28.8 -8.2 186 171 A F H > S+ 0 0 93 -4,-0.4 4,-1.1 1,-0.2 -2,-0.2 0.924 114.9 42.0 -44.5 -54.6 25.9 -26.0 -9.7 187 172 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.834 108.5 61.4 -63.9 -37.5 23.8 -23.5 -7.6 188 173 A L H X S+ 0 0 52 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.883 103.1 48.3 -58.1 -44.2 23.8 -25.8 -4.5 189 174 A K H X S+ 0 0 157 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.847 110.8 51.8 -69.6 -34.0 27.6 -25.8 -4.1 190 175 A L H X S+ 0 0 28 -4,-1.1 4,-2.0 -5,-0.2 -2,-0.2 0.935 108.1 50.9 -66.5 -46.7 27.7 -22.0 -4.4 191 176 A N H X S+ 0 0 4 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.877 106.9 54.7 -57.9 -42.3 25.0 -21.4 -1.7 192 177 A K H < S+ 0 0 106 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.870 113.2 40.1 -62.1 -41.4 26.8 -23.7 0.8 193 178 A S H < S+ 0 0 46 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.786 106.7 65.4 -81.6 -25.2 30.1 -21.8 0.6 194 179 A A H < S+ 0 0 14 -4,-2.0 2,-0.8 -5,-0.2 -1,-0.2 0.738 91.5 70.2 -68.0 -24.8 28.3 -18.4 0.5 195 180 A L S < S- 0 0 44 -4,-1.0 2,-0.6 -3,-0.2 -1,-0.1 -0.856 108.7 -96.6 -98.0 104.7 27.0 -19.0 4.0 196 181 A S - 0 0 74 -2,-0.8 11,-0.3 1,-0.2 -3,-0.0 -0.529 40.8-179.3 62.7-106.4 30.0 -18.7 6.4 197 182 A S 0 0 96 -2,-0.6 -1,-0.2 -5,-0.1 -3,-0.1 -0.924 360.0 360.0 -99.7 11.8 30.9 -21.5 6.9 198 183 A E 0 0 157 2,-0.2 6,-0.1 3,-0.0 -2,-0.0 -0.998 360.0 360.0-141.4 360.0 33.8 -20.7 9.2 199 ! 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 0.0 200 185 A A > 0 0 81 0, 0.0 4,-1.5 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 170.5 39.0 -18.5 8.9 201 186 A D H > + 0 0 146 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.920 360.0 49.4 -70.3 -46.5 40.3 -16.3 6.1 202 187 A Q H > S+ 0 0 120 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.859 110.2 51.5 -66.3 -37.0 39.7 -18.8 3.2 203 188 A S H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.931 111.0 46.3 -65.2 -48.9 36.1 -19.4 4.3 204 189 A A H X S+ 0 0 58 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.889 115.0 49.4 -59.8 -38.7 35.2 -15.7 4.5 205 190 A T H X S+ 0 0 54 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.941 111.1 48.0 -65.3 -49.3 37.0 -15.3 1.1 206 191 A D H X S+ 0 0 68 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.873 107.1 59.1 -59.9 -37.0 35.1 -18.2 -0.5 207 192 A A H X S+ 0 0 17 -4,-2.5 4,-2.3 -11,-0.3 -1,-0.2 0.941 109.0 40.6 -58.5 -49.2 31.8 -16.8 0.9 208 193 A W H X S+ 0 0 151 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.880 115.2 52.3 -72.0 -35.5 32.0 -13.4 -0.9 209 194 A L H X S+ 0 0 79 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.936 110.9 47.4 -58.5 -49.7 33.3 -15.1 -4.1 210 195 A A H X S+ 0 0 7 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.930 111.2 50.2 -60.3 -48.8 30.4 -17.6 -4.1 211 196 A R H X S+ 0 0 87 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.921 110.7 50.9 -54.3 -45.6 27.8 -14.8 -3.5 212 197 A N H X S+ 0 0 77 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.881 109.2 50.4 -61.4 -39.2 29.3 -12.8 -6.3 213 198 A E H X S+ 0 0 88 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.845 108.0 53.2 -68.4 -35.1 29.1 -15.9 -8.6 214 199 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.935 109.2 48.7 -65.6 -45.6 25.4 -16.4 -7.7 215 200 A L H X S+ 0 0 25 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.874 110.3 51.7 -62.4 -38.1 24.6 -12.8 -8.6 216 201 A L H X S+ 0 0 91 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.905 109.9 48.7 -62.6 -43.8 26.4 -13.2 -11.9 217 202 A Y H X S+ 0 0 11 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.896 111.2 49.5 -65.9 -42.8 24.4 -16.3 -12.8 218 203 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.902 105.8 57.8 -61.9 -38.6 21.1 -14.6 -11.9 219 204 A S H X S+ 0 0 28 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.869 105.3 51.5 -58.4 -35.4 22.2 -11.7 -14.1 220 205 A E H X S+ 0 0 106 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.902 109.5 48.2 -68.1 -42.0 22.5 -14.2 -17.0 221 206 A L H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.863 108.0 56.1 -66.8 -37.2 19.0 -15.5 -16.3 222 207 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.949 106.7 49.5 -52.5 -53.5 17.7 -12.0 -16.2 223 208 A A H X S+ 0 0 59 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.862 111.7 49.4 -59.2 -38.3 19.1 -11.3 -19.7 224 209 A E H X S+ 0 0 103 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.910 110.7 49.1 -64.3 -44.1 17.5 -14.5 -21.0 225 210 A R H < S+ 0 0 26 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.688 108.0 54.4 -75.3 -21.5 14.0 -13.6 -19.5 226 211 A R H < S+ 0 0 111 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