==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-JUN-07 2Q9G . COMPND 2 MOLECULE: CYTOCHROME P450 46A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.WHITE,N.V.MAST,E.F.JOHNSON,C.D.STOUT,I.A.PIKULEVA . 422 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.8 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 . 24 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 43.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 2 1 0 3 0 0 1 1 2 1 1 0 2 2 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 3 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 59 A V >> 0 0 62 0, 0.0 4,-1.1 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 161.2 27.8 -12.1 24.6 2 60 A L H >> + 0 0 61 1,-0.3 4,-2.2 2,-0.2 3,-0.9 0.899 360.0 62.2 -54.5 -44.8 24.3 -10.5 24.1 3 61 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.866 99.8 55.6 -49.3 -40.1 24.4 -11.4 20.3 4 62 A D H <> S+ 0 0 60 -3,-1.0 4,-2.1 2,-0.2 -1,-0.3 0.841 103.8 53.1 -63.8 -32.7 24.5 -15.1 21.4 5 63 A V H S-A 24 0A 0 3,-1.7 3,-2.3 -2,-0.6 148,-0.1 -0.984 72.7 -5.4-125.2 134.7 19.1 -3.7 23.1 22 80 A F T 3 S- 0 0 23 -2,-0.4 -1,-0.1 1,-0.3 147,-0.1 0.837 126.2 -66.0 49.1 34.6 20.9 -0.6 24.5 23 81 A H T 3 S+ 0 0 104 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.588 117.6 99.9 67.1 9.7 17.9 -0.3 26.9 24 82 A K E < S-A 21 0A 98 -3,-2.3 -3,-1.7 26,-0.0 2,-0.4 -0.791 74.8-117.4-106.8 165.8 15.4 0.5 24.1 25 83 A T E +A 20 0A 69 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.805 42.0 155.0 -99.8 148.5 13.1 -2.1 22.7 26 84 A S E -A 19 0A 0 -7,-2.5 -7,-2.7 -2,-0.4 2,-0.5 -0.932 40.7-104.7-154.1-178.9 13.2 -3.3 19.1 27 85 A V E -Ab 18 324A 5 296,-2.4 298,-2.7 -2,-0.3 2,-0.4 -0.963 23.6-146.4-118.4 117.7 12.4 -6.2 16.9 28 86 A I E -Ab 17 325A 2 -11,-2.9 -11,-2.4 -2,-0.5 2,-0.5 -0.680 14.9-160.1 -81.6 134.1 15.2 -8.4 15.6 29 87 A V E +A 16 0A 0 296,-2.6 298,-0.4 -2,-0.4 -13,-0.2 -0.971 16.6 172.9-124.0 118.6 14.4 -9.6 12.1 30 88 A T + 0 0 2 -15,-2.0 -14,-0.1 -2,-0.5 -1,-0.1 0.175 39.9 105.0-120.4 17.8 16.2 -12.7 10.9 31 89 A S > - 0 0 4 -16,-0.5 4,-2.1 1,-0.1 3,-0.4 -0.821 66.1-134.4 -98.3 141.1 14.7 -13.7 7.6 32 90 A P H > S+ 0 0 16 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.885 105.1 57.5 -59.9 -36.3 16.6 -13.0 4.4 33 91 A E H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.874 107.7 48.3 -61.8 -36.7 13.5 -11.7 2.6 34 92 A S H > S+ 0 0 8 -3,-0.4 4,-2.7 2,-0.2 5,-0.4 0.905 109.3 52.8 -70.0 -38.8 13.1 -9.1 5.4 35 93 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.955 112.3 45.7 -55.8 -50.1 16.8 -8.2 5.1 36 94 A K H X S+ 0 0 105 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.960 113.2 49.5 -58.9 -54.4 16.3 -7.7 1.4 37 95 A K H < S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.932 120.5 32.4 -50.9 -54.5 13.2 -5.7 1.8 38 96 A F H < S+ 0 0 2 -4,-2.7 3,-0.4 1,-0.2 6,-0.3 0.863 123.4 40.4 -82.3 -34.6 14.4 -3.3 4.4 39 97 A L H < S+ 0 0 0 -4,-2.6 328,-0.4 -5,-0.4 329,-0.3 0.747 110.5 55.8 -84.1 -25.3 18.1 -2.9 3.6 40 98 A M S < S+ 0 0 101 -4,-2.0 2,-0.4 -5,-0.4 -1,-0.2 0.276 96.9 78.3 -93.5 14.2 17.9 -2.7 -0.2 41 99 A S > - 0 0 41 -3,-0.4 3,-1.9 -4,-0.1 -1,-0.0 -0.979 66.8-147.9-128.8 128.9 15.4 0.2 -0.2 42 100 A T T 3 S+ 0 0 83 -2,-0.4 -1,-0.1 1,-0.3 31,-0.1 0.662 92.8 81.1 -61.8 -16.6 16.1 3.9 0.3 43 101 A K T 3 S+ 0 0 120 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.812 85.2 66.2 -58.8 -27.9 12.6 4.1 1.9 44 102 A Y < - 0 0 22 -3,-1.9 2,-0.3 -6,-0.3 263,-0.1 -0.839 68.0-178.2-108.1 129.8 14.1 2.8 5.1 45 103 A N - 0 0 44 -2,-0.5 261,-2.7 261,-0.4 27,-0.1 -0.755 35.3 -76.1-122.2 164.9 16.5 4.8 7.1 46 104 A K - 0 0 22 25,-0.4 2,-0.8 -2,-0.3 259,-0.2 -0.118 47.2-115.0 -53.6 155.7 18.6 4.5 10.3 47 105 A D >> - 0 0 0 257,-0.3 3,-1.5 1,-0.2 4,-1.5 -0.847 17.3-155.6 -98.6 103.7 16.7 4.9 13.6 48 106 A S H 3> S+ 0 0 35 -2,-0.8 4,-1.8 1,-0.3 -1,-0.2 0.805 90.2 68.1 -51.1 -29.1 18.0 8.0 15.3 49 107 A K H 34 S+ 0 0 74 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.909 104.5 41.2 -56.9 -42.9 16.9 6.6 18.6 50 108 A M H X4 S+ 0 0 2 -3,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.895 117.7 47.5 -72.5 -36.7 19.6 3.9 18.4 51 109 A Y H >X S+ 0 0 27 -4,-1.5 4,-1.5 1,-0.2 3,-1.5 0.594 88.2 82.3 -83.9 -12.7 22.3 6.2 17.0 52 110 A R H 3X S+ 0 0 116 -4,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.823 83.0 63.4 -60.4 -31.3 21.9 9.1 19.5 53 111 A A H <4 S+ 0 0 31 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.323 110.6 40.4 -72.7 10.3 24.0 7.4 22.1 54 112 A L H <4 S+ 0 0 32 -3,-1.5 9,-1.8 10,-0.1 10,-0.3 0.497 101.5 68.5-132.6 -30.1 26.9 7.6 19.6 55 113 A Q H < S+ 0 0 51 -4,-1.5 9,-2.2 1,-0.2 7,-1.5 0.911 121.7 5.6 -55.0 -46.0 26.0 11.1 18.4 56 114 A T E < -D 61 0B 58 -4,-1.6 2,-0.4 5,-0.3 5,-0.3 -0.988 69.5-155.2-143.9 152.1 27.1 12.3 21.9 57 115 A V E > -D 60 0B 1 3,-2.7 3,-2.0 -2,-0.3 107,-0.1 -0.965 68.6 -27.6-139.2 120.2 28.7 10.6 24.9 58 116 A F T 3 S- 0 0 74 -2,-0.4 3,-0.1 1,-0.3 119,-0.1 0.732 125.7 -47.4 48.6 30.6 28.5 11.6 28.6 59 117 A G T 3 S+ 0 0 57 1,-0.2 2,-0.5 118,-0.0 -1,-0.3 0.052 122.5 98.8 104.3 -26.7 28.1 15.2 27.7 60 118 A E E < S-D 57 0B 43 -3,-2.0 -3,-2.7 1,-0.0 -1,-0.2 -0.861 74.7-126.4 -97.1 122.6 30.9 15.4 25.1 61 119 A R E +D 56 0B 93 -2,-0.5 -5,-0.3 -5,-0.3 -6,-0.1 -0.448 34.4 169.9 -70.7 140.8 29.8 15.1 21.5 62 120 A L + 0 0 0 -7,-1.5 168,-0.2 -8,-0.2 169,-0.2 0.732 70.0 6.0-116.9 -78.5 31.6 12.4 19.6 63 121 A F S > S+ 0 0 17 -9,-1.8 3,-2.3 1,-0.2 6,-0.3 0.633 80.5 176.1 -92.6 -12.5 30.4 11.4 16.2 64 122 A G T 3 - 0 0 3 -9,-2.2 -1,-0.2 -10,-0.3 -10,-0.1 -0.224 69.5 -23.2 56.4-123.7 27.8 14.1 16.0 65 123 A Q T 3 S+ 0 0 58 4,-0.1 -1,-0.3 5,-0.1 163,-0.1 -0.199 97.6 149.4-111.3 36.2 26.1 14.1 12.6 66 124 A G <> - 0 0 0 -3,-2.3 4,-2.3 1,-0.1 162,-0.1 0.133 69.2 -80.2 -60.4-175.6 29.0 12.3 10.9 67 125 A L T 4 S+ 0 0 12 1,-0.2 -1,-0.1 2,-0.2 13,-0.1 0.732 132.7 33.8 -67.0 -20.8 28.6 10.0 7.9 68 126 A V T 4 S+ 0 0 56 -5,-0.2 -1,-0.2 -17,-0.0 -17,-0.0 0.808 117.3 50.4 -97.9 -42.9 27.6 7.1 10.3 69 127 A S T 4 S+ 0 0 5 -6,-0.3 2,-0.2 -15,-0.1 -2,-0.2 0.848 87.5 98.5 -63.7 -38.6 25.6 9.0 13.0 70 128 A E < + 0 0 4 -4,-2.3 -24,-0.2 -7,-0.2 -5,-0.1 -0.351 42.4 172.0 -65.5 120.8 23.4 10.9 10.5 71 129 A C + 0 0 14 -2,-0.2 -25,-0.4 -26,-0.1 2,-0.2 0.786 45.3 99.3-100.6 -31.6 20.0 9.3 10.1 72 130 A N > - 0 0 74 1,-0.1 4,-2.0 -27,-0.1 5,-0.2 -0.407 69.3-139.6 -60.2 122.3 18.1 11.7 8.0 73 131 A Y H > S+ 0 0 63 -2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.853 95.5 44.4 -54.6 -41.2 18.2 10.5 4.4 74 132 A E H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.939 113.2 47.2 -78.0 -44.7 18.7 13.8 2.7 75 133 A R H > S+ 0 0 133 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.823 115.4 51.0 -60.3 -31.3 21.4 15.3 5.0 76 134 A W H X S+ 0 0 9 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.926 104.3 53.4 -70.8 -44.6 23.1 12.0 4.7 77 135 A H H X S+ 0 0 68 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.784 103.8 58.7 -66.5 -29.4 23.1 11.8 0.8 78 136 A K H X S+ 0 0 141 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.955 111.7 39.2 -60.3 -54.4 24.7 15.2 0.6 79 137 A Q H >X S+ 0 0 16 -4,-1.2 4,-2.7 1,-0.2 3,-0.9 0.954 117.1 50.1 -59.0 -52.4 27.8 14.1 2.6 80 138 A R H 3X S+ 0 0 39 -4,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.887 102.0 61.0 -58.3 -45.9 27.9 10.6 1.0 81 139 A R H 3< S+ 0 0 162 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.820 115.9 31.6 -53.5 -35.0 27.8 12.0 -2.5 82 140 A V H XX S+ 0 0 24 -4,-0.9 3,-1.8 -3,-0.9 4,-0.5 0.877 115.1 55.2 -93.7 -42.7 31.1 13.9 -2.1 83 141 A I H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.3 4,-0.3 0.811 94.6 74.3 -58.2 -29.0 32.9 11.7 0.4 84 142 A D G >< S+ 0 0 61 -4,-2.4 3,-1.4 -5,-0.3 -1,-0.3 0.770 85.1 65.5 -48.5 -32.0 32.4 8.9 -2.2 85 143 A L G X4 S+ 0 0 102 -3,-1.8 3,-2.1 1,-0.3 6,-0.3 0.910 90.1 60.6 -66.7 -41.7 35.0 10.5 -4.4 86 144 A A G << S+ 0 0 8 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.582 107.5 51.3 -60.7 -7.3 37.8 9.8 -1.9 87 145 A F G < S+ 0 0 16 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.148 79.2 125.5-117.7 20.1 36.9 6.2 -2.4 88 146 A S S <> S- 0 0 46 -3,-2.1 4,-2.6 1,-0.1 3,-0.3 -0.324 78.1 -98.8 -73.3 161.5 36.9 5.9 -6.2 89 147 A R H > S+ 0 0 173 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 124.8 50.9 -44.3 -47.8 39.0 3.2 -7.9 90 148 A S H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.907 110.0 49.6 -63.0 -41.7 41.8 5.7 -8.7 91 149 A S H 4 S+ 0 0 15 -3,-0.3 4,-0.3 -6,-0.3 3,-0.2 0.949 112.7 46.6 -59.2 -49.8 41.9 6.9 -5.0 92 150 A L H >X S+ 0 0 6 -4,-2.6 3,-2.3 1,-0.2 4,-0.5 0.925 109.1 54.4 -61.9 -44.1 42.1 3.4 -3.7 93 151 A V H >< S+ 0 0 53 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.840 103.2 56.6 -59.4 -34.0 44.8 2.4 -6.1 94 152 A S T 3< S+ 0 0 82 -4,-1.6 3,-0.4 1,-0.2 -1,-0.3 0.533 96.3 67.9 -76.3 -2.9 46.9 5.3 -5.0 95 153 A L T X> S+ 0 0 21 -3,-2.3 4,-2.2 -4,-0.3 3,-1.0 0.692 71.2 90.5 -86.0 -20.1 46.7 3.9 -1.4 96 154 A M H S+ 0 0 112 -3,-0.4 4,-2.6 -4,-0.2 -1,-0.3 0.919 108.8 44.2 -70.2 -44.0 51.9 2.7 -1.2 98 156 A T H <> S+ 0 0 12 -3,-1.0 4,-2.4 -4,-0.3 5,-0.3 0.943 114.9 48.2 -63.1 -50.6 50.5 3.4 2.3 99 157 A F H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.933 114.7 46.4 -56.2 -49.7 49.2 -0.1 2.8 100 158 A N H X S+ 0 0 5 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.951 111.2 51.1 -57.5 -50.2 52.6 -1.6 1.7 101 159 A E H X S+ 0 0 70 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.943 114.8 41.8 -53.8 -52.7 54.6 0.7 3.8 102 160 A K H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.888 113.6 50.7 -66.9 -39.2 52.7 0.0 7.0 103 161 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.887 111.3 49.3 -67.0 -36.9 52.4 -3.7 6.5 104 162 A E H X S+ 0 0 3 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.891 109.0 52.2 -69.0 -38.0 56.1 -4.0 5.9 105 163 A Q H X S+ 0 0 32 -4,-2.0 4,-2.9 -5,-0.3 -2,-0.2 0.943 110.0 49.9 -64.9 -44.1 56.9 -2.0 9.0 106 164 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.920 110.5 48.7 -55.9 -49.2 54.6 -4.4 11.0 107 165 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.887 111.6 50.6 -62.1 -39.2 56.3 -7.5 9.6 108 166 A E H X S+ 0 0 87 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.972 110.5 47.9 -63.5 -51.0 59.7 -6.0 10.4 109 167 A I H X S+ 0 0 36 -4,-2.9 4,-0.5 1,-0.2 3,-0.2 0.930 114.9 47.6 -51.9 -49.0 58.8 -5.2 14.0 110 168 A L H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 4,-0.4 0.867 105.5 56.0 -64.0 -39.6 57.4 -8.7 14.4 111 169 A E H >< S+ 0 0 72 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.854 100.4 61.9 -60.5 -33.4 60.4 -10.4 12.9 112 170 A A H 3< S+ 0 0 86 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.739 109.9 40.0 -62.6 -21.4 62.5 -8.6 15.5 113 171 A K T << S+ 0 0 83 -3,-1.3 2,-1.8 -4,-0.5 306,-0.4 0.376 84.2 113.7-105.7 3.7 60.5 -10.5 18.2 114 172 A A < + 0 0 13 -3,-1.2 -1,-0.1 -4,-0.4 -3,-0.1 -0.391 28.7 116.3 -88.0 64.7 60.3 -13.9 16.5 115 173 A D S S- 0 0 60 -2,-1.8 -1,-0.2 305,-0.1 305,-0.2 0.365 85.1-110.7-109.6 -1.4 62.4 -16.1 18.7 116 174 A G S S+ 0 0 19 303,-1.3 304,-0.1 -3,-0.3 -2,-0.1 0.568 106.8 60.6 88.0 8.7 59.6 -18.4 19.7 117 175 A Q S S+ 0 0 158 -4,-0.3 -3,-0.1 302,-0.2 -1,-0.1 0.563 72.7 91.4-136.9 -39.3 59.4 -17.2 23.3 118 176 A T S S- 0 0 50 -5,-0.4 301,-0.5 301,-0.2 2,-0.2 -0.522 70.5-141.9 -64.9 122.3 58.7 -13.5 23.3 119 177 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 299,-0.2 -0.648 18.1-166.1 -89.2 150.3 54.9 -13.2 23.5 120 178 A V E -E 417 0C 9 297,-1.8 297,-2.1 -2,-0.2 2,-1.4 -0.993 25.5-127.3-140.4 131.6 53.1 -10.5 21.6 121 179 A S E > -E 416 0C 14 -2,-0.4 4,-2.8 295,-0.2 3,-0.3 -0.630 22.1-174.2 -73.8 96.9 49.6 -9.0 21.6 122 180 A M H > S+ 0 0 0 293,-1.7 4,-2.9 -2,-1.4 5,-0.3 0.829 84.8 62.5 -60.3 -30.7 48.6 -9.4 18.0 123 181 A Q H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 108.3 40.3 -57.5 -48.0 45.5 -7.5 19.0 124 182 A D H > S+ 0 0 76 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.955 115.9 50.4 -67.3 -47.2 47.6 -4.4 20.0 125 183 A M H X S+ 0 0 20 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.922 111.5 47.8 -55.9 -46.3 50.0 -4.8 17.0 126 184 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.871 110.7 52.7 -66.0 -36.2 47.1 -5.0 14.5 127 185 A T H X S+ 0 0 22 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.929 108.9 47.7 -64.3 -44.7 45.4 -2.0 16.1 128 186 A Y H X S+ 0 0 59 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0.453 66.5 128.2-146.8 -27.9 24.8 -0.8 28.7 170 228 A T < 0 0 106 -4,-1.6 -4,-0.0 -5,-0.2 -5,-0.0 -0.118 360.0 360.0 -43.0 100.1 25.6 0.2 32.3 171 229 A L 0 0 190 -2,-0.1 -1,-0.1 -3,-0.0 -5,-0.0 0.841 360.0 360.0 -35.6 360.0 22.5 -1.3 34.0 172 ! 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 0.0 173 240 A L > 0 0 145 0, 0.0 3,-1.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 24.7 36.4 7.8 35.4 174 241 A R T 3> + 0 0 114 1,-0.3 4,-1.3 2,-0.2 5,-0.0 -0.100 360.0 112.3 -80.4 36.7 35.7 10.8 33.1 175 242 A E H 3> S+ 0 0 110 2,-0.2 4,-3.5 1,-0.2 -1,-0.3 0.699 73.4 70.5 -63.9 -22.8 39.1 10.4 31.6 176 243 A V H <> S+ 0 0 6 -3,-1.1 4,-2.8 2,-0.2 5,-0.2 0.931 95.4 43.6 -59.7 -49.6 36.5 9.5 28.9 177 244 A R H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 113.9 53.9 -63.3 -38.7 35.3 13.0 28.5 178 245 A E H >X S+ 0 0 92 -4,-1.3 4,-3.0 1,-0.2 3,-0.6 0.977 110.3 46.6 -56.4 -57.9 38.9 14.1 28.5 179 246 A S H 3X S+ 0 0 2 -4,-3.5 4,-3.1 1,-0.3 5,-0.3 0.900 107.6 54.4 -50.2 -51.8 39.7 11.6 25.7 180 247 A I H 3X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.3 0.867 113.9 44.6 -56.6 -33.0 36.7 12.6 23.6 181 248 A R H X S+ 0 0 70 -4,-3.0 4,-2.8 1,-0.2 3,-1.0 0.961 110.2 50.0 -50.0 -57.5 41.6 15.2 23.2 183 250 A L H 3X S+ 0 0 2 -4,-3.1 4,-2.2 1,-0.3 -1,-0.2 0.942 109.1 51.2 -46.2 -57.4 40.5 13.3 20.0 184 251 A R H 3X S+ 0 0 9 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.3 0.779 110.5 49.5 -55.3 -25.6 38.5 16.3 18.8 185 252 A Q H <>S+ 0 0 18 -4,-0.8 5,-2.1 -3,-0.4 3,-1.0 0.795 109.9 54.1 -86.8 -31.5 49.8 23.9 4.0 198 265 A L H 3<5S+ 0 0 74 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.643 106.7 53.2 -79.4 -13.8 47.1 24.6 1.4 199 266 A K T 3<5S+ 0 0 182 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.241 96.2 63.8 -98.2 8.8 47.5 28.3 2.1 200 267 A R T < 5S- 0 0 166 -3,-1.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.264 121.3-119.4-101.5 31.4 51.2 27.8 1.4 201 268 A G T 5 + 0 0 71 -3,-0.3 -3,-0.2 1,-0.1 -2,-0.1 0.664 58.6 168.4 38.3 25.3 49.5 27.0 -2.0 202 269 A E < - 0 0 99 -5,-2.1 2,-1.4 1,-0.1 -1,-0.1 -0.257 43.2-106.4 -76.1 153.6 51.2 23.6 -1.5 203 270 A E + 0 0 171 -3,-0.1 -1,-0.1 -2,-0.0 -5,-0.1 -0.598 44.1 172.2 -85.3 86.8 50.3 20.5 -3.5 204 271 A V - 0 0 45 -2,-1.4 3,-0.1 -10,-0.1 -64,-0.0 -0.839 24.1-132.8 -99.7 126.0 48.3 18.2 -1.3 205 272 A P - 0 0 93 0, 0.0 2,-0.7 0, 0.0 5,-0.2 -0.109 38.4 -67.0 -74.0 172.9 46.7 15.1 -3.0 206 273 A A + 0 0 72 4,-0.1 2,-0.1 3,-0.1 3,-0.0 -0.442 63.8 161.3 -75.7 102.3 43.2 13.7 -2.8 207 274 A D > - 0 0 19 -2,-0.7 4,-1.0 1,-0.1 -69,-0.2 -0.301 56.8-108.2-102.2-177.5 42.3 12.4 0.7 208 275 A I H > S+ 0 0 8 -70,-0.6 4,-2.3 -71,-0.4 5,-0.2 0.848 123.6 57.7 -69.7 -44.2 39.3 11.5 2.7 209 276 A L H > S+ 0 0 0 -71,-2.4 4,-2.2 1,-0.2 5,-0.3 0.908 100.1 56.8 -54.4 -44.8 40.2 14.7 4.6 210 277 A T H > S+ 0 0 42 -72,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.954 110.0 44.3 -46.4 -56.8 40.0 16.6 1.4 211 278 A Q H X S+ 0 0 26 -4,-1.0 4,-1.6 1,-0.2 -2,-0.2 0.838 108.4 55.4 -66.3 -33.8 36.4 15.5 0.9 212 279 A I H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 3,-0.3 0.962 111.8 43.7 -66.4 -45.0 35.2 16.0 4.5 213 280 A L H >< S+ 0 0 31 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.940 111.0 55.9 -56.2 -48.3 36.3 19.7 4.4 214 281 A K H >< S+ 0 0 119 -4,-2.5 3,-0.6 -5,-0.3 -1,-0.2 0.807 108.3 48.7 -54.7 -31.7 34.8 20.0 0.9 215 282 A A H 3< S+ 0 0 20 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.637 104.5 59.0 -86.8 -15.3 31.5 18.8 2.4 216 283 A E T X< S+ 0 0 44 -3,-1.3 3,-1.0 -4,-0.9 2,-0.3 -0.043 75.8 133.0-101.0 30.8 31.6 21.2 5.3 217 284 A E T < + 0 0 134 -3,-0.6 3,-0.1 1,-0.2 -3,-0.0 -0.629 68.4 23.5 -83.6 139.5 31.8 24.3 3.1 218 285 A G T 3 S+ 0 0 91 1,-0.3 2,-0.5 -2,-0.3 -1,-0.2 0.526 90.2 141.8 83.0 5.3 29.4 27.2 4.1 219 286 A A < - 0 0 41 -3,-1.0 -1,-0.3 1,-0.2 -3,-0.1 -0.701 49.3-150.5 -83.9 126.3 29.4 25.8 7.6 220 287 A Q S S+ 0 0 186 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.2 0.927 85.7 32.9 -59.3 -44.7 29.3 28.5 10.3 221 288 A D S S- 0 0 87 -3,-0.1 3,-0.2 1,-0.0 4,-0.1 -0.630 71.9-136.4-104.0 164.5 31.2 26.1 12.6 222 289 A D S > S+ 0 0 65 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.158 78.4 108.1-101.2 35.2 33.7 23.3 11.9 223 290 A E H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.895 75.8 47.8 -83.9 -37.3 31.8 21.2 14.3 224 291 A G H > S+ 0 0 18 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.730 108.6 57.9 -68.9 -21.3 30.4 18.9 11.7 225 292 A L H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.887 106.1 46.9 -80.4 -38.7 33.9 18.6 10.3 226 293 A L H X S+ 0 0 6 -4,-1.6 4,-2.9 2,-0.2 5,-0.4 0.901 107.3 59.7 -60.8 -40.3 35.1 17.4 13.7 227 294 A D H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.982 110.0 40.8 -48.2 -68.6 32.1 14.9 13.6 228 295 A N H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.762 111.9 58.1 -48.9 -32.3 33.4 13.4 10.4 229 296 A F H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.972 110.9 39.2 -63.4 -55.2 37.0 13.5 11.6 230 297 A V H X S+ 0 0 1 -4,-2.9 4,-1.8 -168,-0.2 5,-0.3 0.876 114.5 58.7 -64.3 -35.5 36.3 11.4 14.7 231 298 A T H X S+ 0 0 3 -4,-2.7 4,-3.1 -5,-0.4 3,-0.5 0.969 113.5 33.5 -53.4 -64.4 34.0 9.2 12.6 232 299 A F H X S+ 0 0 13 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.883 112.8 62.7 -63.8 -35.1 36.5 8.2 10.0 233 300 A F H < S+ 0 0 3 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.878 119.3 25.9 -57.6 -36.0 39.3 8.2 12.5 234 301 A I H >X S+ 0 0 14 -4,-1.8 4,-2.0 -3,-0.5 3,-1.6 0.909 122.2 49.0 -92.8 -51.9 37.4 5.4 14.4 235 302 A A H 3< S+ 0 0 50 -4,-3.1 4,-0.3 -5,-0.3 5,-0.2 0.793 109.5 59.1 -53.4 -31.6 35.4 3.7 11.7 236 303 A G T 3< S+ 0 0 16 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.1 0.485 120.4 15.4 -88.8 -3.5 38.5 3.5 9.6 237 304 A H T <> S+ 0 0 0 -3,-1.6 4,-2.5 -4,-0.1 5,-0.2 0.587 111.6 65.8-131.4 -39.4 40.8 1.5 11.9 238 305 A E H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.911 105.5 40.4 -57.7 -54.3 38.9 -0.2 14.7 239 306 A T H > S+ 0 0 51 -5,-0.4 4,-2.6 -4,-0.3 -1,-0.2 0.834 116.1 52.9 -65.0 -32.1 36.7 -2.7 12.8 240 307 A S H > S+ 0 0 6 -5,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.912 109.8 47.9 -67.1 -42.3 39.7 -3.5 10.5 241 308 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.916 113.7 47.1 -65.5 -42.4 41.9 -4.2 13.5 242 309 A N H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.946 109.8 53.0 -64.6 -44.7 39.3 -6.4 15.0 243 310 A H H X S+ 0 0 16 -4,-2.6 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32.7 -24.8 11.6 344 411 A F + 0 0 15 -2,-0.4 -2,-0.1 -94,-0.1 -1,-0.1 -0.703 38.0 163.4 -83.0 105.4 35.1 -22.4 10.0 345 412 A N > - 0 0 58 -2,-0.9 3,-2.0 1,-0.1 4,-0.2 -0.835 28.0-171.0-137.0 100.0 35.2 -23.4 6.4 346 413 A P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.701 82.8 75.6 -58.7 -27.6 36.6 -21.1 3.6 347 414 A D G > S+ 0 0 82 1,-0.3 3,-2.5 2,-0.2 6,-0.1 0.740 74.5 80.6 -58.7 -22.1 35.2 -23.4 0.9 348 415 A R G < S+ 0 0 44 -3,-2.0 -1,-0.3 1,-0.3 -60,-0.0 0.771 101.8 38.5 -52.2 -25.2 31.8 -21.9 1.7 349 416 A F G < S+ 0 0 27 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.124 90.8 134.2-115.1 18.6 33.0 -19.1 -0.5 350 417 A G S X S- 0 0 13 -3,-2.5 3,-2.4 1,-0.2 2,-0.1 -0.200 71.4 -80.3 -66.7 157.9 34.8 -21.1 -3.1 351 418 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.369 121.2 27.1 -60.0 130.3 34.4 -20.4 -6.8 352 419 A G T 3 S+ 0 0 83 1,-0.4 -2,-0.1 -3,-0.1 -3,-0.0 0.230 88.9 121.5 100.8 -18.3 31.2 -22.0 -7.9 353 420 A A S < S- 0 0 39 -3,-2.4 -1,-0.4 -6,-0.1 2,-0.1 -0.618 75.0-105.0 -77.7 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