==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 26-MAY-11 3S7S . COMPND 2 MOLECULE: CYTOCHROME P450 19A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.GHOSH . 452 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 6.6 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 28 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 43.4 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 1 0 0 2 0 1 1 1 1 2 3 0 1 1 2 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 1 1 2 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 . 2 0 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 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 45 A S 0 0 116 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.3 75.4 80.3 31.9 2 46 A S - 0 0 106 340,-0.1 339,-0.1 1,-0.1 340,-0.0 -0.414 360.0 -84.2 -84.9 171.6 77.4 81.5 35.0 3 47 A I - 0 0 43 -2,-0.1 38,-0.1 38,-0.0 -1,-0.1 -0.689 38.6-143.8 -90.6 121.9 78.1 79.2 37.9 4 48 A P + 0 0 41 0, 0.0 38,-1.9 0, 0.0 33,-0.1 -0.246 47.2 94.9 -71.9 169.0 75.5 78.6 40.7 5 49 A G S S- 0 0 22 36,-0.2 38,-0.1 31,-0.0 3,-0.1 -0.672 72.1 -38.1 132.6 172.7 76.4 78.1 44.4 6 50 A P S S- 0 0 8 0, 0.0 2,-0.1 0, 0.0 36,-0.1 -0.071 71.7 -82.8 -64.0 164.9 76.8 80.0 47.6 7 51 A G - 0 0 56 1,-0.1 2,-1.2 6,-0.1 5,-0.0 -0.423 31.6-126.2 -66.1 138.3 78.2 83.5 47.9 8 52 A Y - 0 0 140 -2,-0.1 2,-2.4 5,-0.1 -1,-0.1 -0.807 25.1-154.5 -78.8 97.6 82.0 83.9 48.0 9 53 A C - 0 0 68 -2,-1.2 -1,-0.1 1,-0.2 -2,-0.0 -0.293 54.6 -80.8 -78.4 57.2 81.9 85.9 51.2 10 54 A M S S- 0 0 165 -2,-2.4 -1,-0.2 1,-0.3 -2,-0.0 0.881 111.4 -21.1 47.9 47.7 85.2 87.7 50.3 11 55 A G S S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.566 129.7 84.7 96.8 12.8 87.2 84.6 51.5 12 56 A I > + 0 0 85 2,-0.1 4,-2.2 3,-0.1 5,-0.3 0.584 69.7 77.5-112.7 -23.7 84.4 83.2 53.8 13 57 A G H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 31,-0.2 0.947 99.8 43.6 -41.4 -61.8 82.7 81.3 50.9 14 58 A P H > S+ 0 0 18 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.893 110.6 54.3 -51.8 -50.2 85.4 78.6 51.1 15 59 A L H > S+ 0 0 117 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.863 108.1 46.7 -63.5 -41.1 85.5 78.3 54.9 16 60 A I H X S+ 0 0 89 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.936 116.5 44.8 -65.0 -43.5 81.8 77.7 55.5 17 61 A S H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.916 112.7 48.2 -70.6 -46.7 81.6 75.0 52.8 18 62 A H H X S+ 0 0 17 -4,-2.8 4,-2.0 26,-0.3 -1,-0.2 0.920 115.0 48.2 -57.3 -44.2 84.8 73.2 53.7 19 63 A G H X S+ 0 0 34 -4,-1.8 4,-3.0 -5,-0.3 5,-0.3 0.926 107.7 54.4 -59.8 -46.6 83.5 73.2 57.3 20 64 A R H X S+ 0 0 73 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.865 108.2 50.8 -54.8 -40.5 80.1 72.0 56.1 21 65 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.904 112.7 44.4 -64.6 -45.4 81.8 69.0 54.4 22 66 A L H < S+ 0 0 70 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.910 119.9 41.0 -67.0 -42.8 83.8 68.1 57.5 23 67 A W H < S+ 0 0 222 -4,-3.0 -2,-0.2 -5,-0.1 -3,-0.2 0.922 126.2 32.5 -73.8 -44.4 80.9 68.5 59.9 24 68 A M H < S- 0 0 67 -4,-2.7 407,-0.3 -5,-0.3 4,-0.2 0.917 111.6-107.9 -78.1 -45.5 78.2 66.8 57.7 25 69 A G X - 0 0 7 -4,-2.0 4,-2.0 -5,-0.4 5,-0.3 -0.064 29.2 -92.5 112.8 137.8 80.2 64.2 55.8 26 70 A I H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 406,-0.2 0.864 123.1 48.1 -51.8 -44.9 81.2 64.4 52.1 27 71 A G H > S+ 0 0 0 405,-0.8 4,-2.1 404,-0.7 3,-0.2 0.966 115.4 39.9 -60.1 -59.4 78.1 62.5 51.0 28 72 A S H > S+ 0 0 37 403,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.628 111.6 59.2 -73.3 -12.3 75.4 64.3 52.9 29 73 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 402,-0.3 -1,-0.2 0.887 107.5 46.3 -75.6 -41.9 77.2 67.7 52.1 30 74 A C H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.923 112.4 49.8 -62.4 -47.6 76.8 67.0 48.4 31 75 A N H X S+ 0 0 37 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.869 112.7 48.7 -61.2 -37.1 73.2 66.0 48.8 32 76 A Y H >X S+ 0 0 53 -4,-1.2 4,-2.4 2,-0.2 3,-0.6 0.969 112.5 45.3 -64.6 -55.4 72.6 69.2 50.8 33 77 A Y H 3X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.3 -2,-0.2 0.822 112.9 51.2 -62.2 -34.6 74.2 71.6 48.4 34 78 A N H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.777 111.1 48.8 -70.0 -29.5 72.5 70.0 45.4 35 79 A R H << S+ 0 0 152 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.902 116.1 41.9 -77.9 -44.7 69.2 70.3 47.1 36 80 A V H < S+ 0 0 77 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.988 128.6 18.2 -64.0 -63.7 69.6 73.9 48.0 37 81 A Y S < S- 0 0 80 -4,-2.1 4,-0.1 1,-0.2 -3,-0.0 0.196 109.7 -49.3 -89.0-150.4 71.2 75.1 44.7 38 82 A G - 0 0 30 2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.134 51.1-102.0 -77.5 177.4 71.1 73.5 41.3 39 83 A E S S+ 0 0 48 1,-0.2 15,-2.8 14,-0.1 16,-1.3 0.183 120.0 45.8 -78.9 16.7 71.9 69.9 40.2 40 84 A F E S+A 53 0A 4 13,-0.2 -2,-0.3 14,-0.2 2,-0.3 -0.843 81.3 138.2-162.3 113.8 75.2 71.6 39.1 41 85 A M E -A 52 0A 0 11,-1.7 11,-2.2 -2,-0.3 2,-0.3 -0.971 42.3-106.2-160.9 171.0 77.0 74.0 41.4 42 86 A R E +A 51 0A 27 -38,-1.9 2,-0.3 -2,-0.3 9,-0.2 -0.791 32.6 158.4-113.4 147.4 80.3 75.3 42.9 43 87 A V E -A 50 0A 0 7,-2.3 7,-3.2 -2,-0.3 2,-0.4 -0.854 35.0-114.4-147.8 176.8 81.9 74.9 46.4 44 88 A W E -A 49 0A 14 -2,-0.3 2,-0.6 5,-0.2 -26,-0.3 -0.900 20.4-179.0-129.3 107.4 85.3 75.1 47.9 45 89 A I S S- 0 0 7 3,-0.9 304,-0.1 -2,-0.4 28,-0.1 -0.930 82.0 -28.9 -94.1 125.3 87.1 72.1 49.5 46 90 A S S S- 0 0 35 -2,-0.6 -28,-0.1 1,-0.2 139,-0.0 -0.353 120.5 -41.9 52.5-143.0 90.3 73.7 50.6 47 91 A G S S+ 0 0 56 2,-0.1 -1,-0.2 -2,-0.0 -32,-0.0 0.969 115.4 93.3 -69.5 -54.1 91.2 76.7 48.4 48 92 A E S S- 0 0 93 1,-0.1 -3,-0.9 -4,-0.1 2,-0.1 -0.001 81.7-110.8 -55.8 137.6 90.3 75.1 45.1 49 93 A E E -A 44 0A 72 -5,-0.2 300,-1.9 -7,-0.1 2,-0.4 -0.405 37.6-168.1 -59.1 134.3 87.0 75.5 43.4 50 94 A T E -Ab 43 349A 0 -7,-3.2 -7,-2.3 298,-0.2 2,-0.4 -0.997 9.1-146.4-134.8 133.5 85.1 72.2 43.4 51 95 A L E -Ab 42 350A 7 298,-3.2 300,-3.1 -2,-0.4 2,-0.5 -0.792 2.3-158.5 -99.9 134.8 81.9 71.3 41.5 52 96 A I E +Ab 41 351A 0 -11,-2.2 -11,-1.7 -2,-0.4 2,-0.4 -0.967 21.6 179.1-112.3 124.6 79.2 69.0 42.7 53 97 A I E +Ab 40 352A 1 298,-2.6 300,-2.7 -2,-0.5 -13,-0.2 -0.982 29.3 166.8-134.2 125.6 77.1 67.6 39.8 54 98 A S + 0 0 2 -15,-2.8 2,-0.2 -2,-0.4 -14,-0.2 0.515 44.8 121.1-109.4 -10.4 74.2 65.2 39.6 55 99 A K > - 0 0 86 -16,-1.3 4,-3.0 1,-0.2 5,-0.2 -0.351 57.8-145.7 -59.3 122.1 73.2 66.0 36.0 56 100 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.817 98.6 55.7 -57.8 -34.9 73.3 62.8 33.9 57 101 A S H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 112.5 40.7 -64.4 -47.0 74.5 64.7 30.8 58 102 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.893 112.9 55.9 -66.9 -43.1 77.4 66.2 32.7 59 103 A M H X S+ 0 0 3 -4,-3.0 4,-1.9 1,-0.2 5,-0.2 0.940 109.3 47.0 -50.8 -51.1 78.1 62.9 34.4 60 104 A F H X S+ 0 0 43 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.915 110.1 51.3 -63.1 -46.8 78.4 61.2 31.0 61 105 A H H X S+ 0 0 36 -4,-2.0 4,-2.0 1,-0.2 3,-0.3 0.925 111.5 49.1 -51.9 -49.6 80.6 63.9 29.5 62 106 A I H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 6,-0.2 0.916 111.8 42.6 -64.5 -51.2 83.1 63.7 32.4 63 107 A M H < S+ 0 0 0 -4,-1.9 328,-0.5 1,-0.2 -1,-0.2 0.685 114.9 54.9 -71.5 -18.2 83.6 59.9 32.7 64 108 A K H < S+ 0 0 104 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.925 93.3 72.8 -81.7 -52.0 83.8 59.6 28.9 65 109 A H S >< S- 0 0 64 -4,-2.0 3,-0.9 -5,-0.2 4,-0.0 -0.326 76.6-131.6 -72.6 149.7 86.6 62.1 28.1 66 110 A N G > S+ 0 0 115 1,-0.2 3,-1.0 2,-0.1 -1,-0.1 0.617 96.9 73.3 -74.8 -15.0 90.3 61.4 28.8 67 111 A H G 3 S+ 0 0 37 1,-0.2 267,-3.3 2,-0.1 268,-0.7 0.222 92.3 56.8 -89.9 17.5 90.9 64.8 30.4 68 112 A Y G < + 0 0 1 -3,-0.9 2,-2.4 265,-0.2 264,-0.5 0.262 67.2 118.0-121.5 8.1 89.0 63.8 33.6 69 113 A S < + 0 0 5 -3,-1.0 2,-0.3 262,-0.1 264,-0.1 -0.185 60.2 84.3 -71.0 46.3 91.0 60.7 34.4 70 114 A S - 0 0 3 -2,-2.4 262,-1.6 262,-0.4 2,-0.2 -0.967 57.6-158.6-139.0 159.9 92.1 62.2 37.7 71 115 A R - 0 0 40 -2,-0.3 2,-0.3 260,-0.3 260,-0.2 -0.472 16.2-143.0-114.8-165.1 90.8 62.4 41.2 72 116 A F + 0 0 8 -2,-0.2 2,-0.2 278,-0.1 258,-0.1 -0.877 29.9 125.0-148.7-177.6 91.6 64.9 44.0 73 117 A G - 0 0 23 -2,-0.3 112,-0.2 -28,-0.1 111,-0.1 -0.491 64.8 -35.4 137.1 157.2 92.1 65.3 47.7 74 118 A S > - 0 0 14 110,-2.0 4,-2.2 -2,-0.2 5,-0.2 -0.120 44.4-148.4 -40.8 118.9 94.6 66.4 50.4 75 119 A K H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.866 100.5 48.8 -56.4 -38.5 98.1 65.6 49.3 76 120 A L H > S+ 0 0 64 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.810 110.4 50.1 -76.4 -31.4 99.1 65.2 52.9 77 121 A G H > S+ 0 0 1 106,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.856 113.9 45.6 -70.2 -37.5 96.1 62.9 53.6 78 122 A L H X>S+ 0 0 2 -4,-2.2 5,-2.2 2,-0.2 4,-1.4 0.888 111.4 51.5 -73.6 -40.2 97.0 60.8 50.6 79 123 A Q H <5S+ 0 0 99 -4,-2.5 -1,-0.2 4,-0.2 -2,-0.2 0.840 107.2 56.4 -62.4 -33.0 100.7 60.7 51.5 80 124 A C H <5S+ 0 0 25 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.914 114.5 35.2 -67.3 -44.2 99.6 59.6 54.9 81 125 A I H <5S- 0 0 1 -4,-1.5 -1,-0.2 98,-0.1 -2,-0.2 0.544 115.0-114.0 -88.0 -9.6 97.7 56.5 53.7 82 126 A G T <5S+ 0 0 2 -4,-1.4 -3,-0.2 -5,-0.1 -4,-0.1 0.711 86.7 111.7 86.5 22.6 100.2 55.9 50.8 83 127 A M > < + 0 0 0 -5,-2.2 3,-0.8 -6,-0.1 2,-0.8 0.357 38.0 118.3-104.4 0.3 97.9 56.7 47.9 84 128 A H T 3 S- 0 0 40 -6,-1.0 7,-0.2 1,-0.3 -9,-0.0 -0.623 105.6 -29.3 -70.4 109.6 99.7 59.9 46.9 85 129 A E T 3 S+ 0 0 81 -2,-0.8 -1,-0.3 5,-0.4 6,-0.1 0.811 130.2 85.9 48.1 41.4 101.0 59.0 43.4 86 130 A K S < S+ 0 0 47 -3,-0.8 169,-0.2 168,-0.1 -3,-0.1 0.657 77.3 36.5-135.6 -39.6 101.1 55.3 44.3 87 131 A G S S- 0 0 0 -4,-0.4 168,-0.1 1,-0.1 13,-0.1 0.360 75.0-119.3 -87.3-138.8 98.0 53.2 43.9 88 132 A I S > S+ 0 0 13 166,-0.1 3,-1.1 12,-0.1 -1,-0.1 0.338 99.1 71.4-119.5 -35.8 95.5 53.5 41.3 89 133 A I T 3 S+ 0 0 44 1,-0.3 -6,-0.0 -3,-0.1 8,-0.0 0.856 126.3 4.6 -46.9 -54.5 92.4 54.3 43.4 90 134 A F T 3 S+ 0 0 11 -19,-0.1 2,-0.7 -7,-0.1 -5,-0.4 0.032 92.2 135.6-120.1 24.8 93.6 57.9 44.3 91 135 A N < + 0 0 0 -3,-1.1 -7,-0.1 -7,-0.2 -20,-0.1 -0.668 27.7 179.3 -70.1 113.0 96.7 57.9 42.1 92 136 A N + 0 0 37 -2,-0.7 -1,-0.2 -9,-0.2 -8,-0.1 0.432 45.1 106.2-105.1 -2.3 96.4 61.4 40.6 93 137 A N > - 0 0 39 1,-0.2 4,-2.9 -23,-0.0 5,-0.3 -0.735 64.1-148.3 -77.5 109.9 99.6 61.3 38.6 94 138 A P H > S+ 0 0 52 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.831 92.3 41.2 -50.6 -43.9 98.3 60.9 35.0 95 139 A E H > S+ 0 0 130 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.912 116.3 46.3 -75.1 -44.5 101.3 59.0 33.7 96 140 A L H > S+ 0 0 50 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.874 115.0 47.7 -69.3 -38.0 101.9 56.7 36.7 97 141 A W H >X S+ 0 0 12 -4,-2.9 4,-2.6 1,-0.2 3,-0.8 0.940 108.7 56.0 -60.6 -49.1 98.2 55.9 36.9 98 142 A K H 3< S+ 0 0 141 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.824 111.4 42.9 -52.9 -38.2 98.2 55.2 33.1 99 143 A T H 3< S+ 0 0 72 -4,-1.6 4,-0.3 2,-0.1 -1,-0.2 0.632 116.7 45.4 -88.5 -16.2 100.9 52.6 33.5 100 144 A T H XX S+ 0 0 0 -4,-1.0 3,-1.7 -3,-0.8 4,-0.9 0.875 96.9 68.9 -91.9 -44.7 99.6 50.9 36.6 101 145 A R H >X S+ 0 0 21 -4,-2.6 4,-2.8 1,-0.3 3,-0.6 0.852 87.3 68.2 -44.9 -49.8 95.9 50.5 35.7 102 146 A P H 3> S+ 0 0 70 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.840 98.2 53.5 -34.8 -48.5 96.7 47.9 33.0 103 147 A F H <> S+ 0 0 30 -3,-1.7 4,-1.9 -4,-0.3 -2,-0.2 0.927 112.0 42.7 -57.7 -50.1 97.8 45.5 35.8 104 148 A F H < S+ 0 0 124 -4,-2.6 3,-1.2 -5,-0.3 6,-0.3 0.932 112.0 48.1 -67.6 -46.3 94.1 42.4 33.3 107 151 A A H 3< S+ 0 0 22 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.679 108.4 55.7 -70.3 -20.1 93.7 40.6 36.6 108 152 A L T 3< S+ 0 0 16 -4,-1.4 290,-0.7 -5,-0.2 2,-0.3 0.145 110.6 40.2-100.7 16.6 90.0 41.6 37.0 109 153 A S S X S+ 0 0 47 -3,-1.2 3,-1.1 288,-0.1 5,-0.1 -0.950 95.0 19.1-155.3 170.1 88.9 40.2 33.6 110 154 A G T >> S+ 0 0 46 -2,-0.3 4,-0.6 1,-0.3 3,-0.6 -0.447 124.6 6.8 65.9-127.7 89.2 37.2 31.1 111 155 A P H >> S+ 0 0 112 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.820 132.4 53.2 -58.7 -36.2 90.6 34.1 32.7 112 156 A G H <> S+ 0 0 17 -3,-1.1 4,-2.4 -6,-0.3 -2,-0.2 0.839 101.3 58.2 -68.5 -37.0 90.6 35.5 36.3 113 157 A L H <> S+ 0 0 30 -3,-0.6 4,-0.5 1,-0.2 -1,-0.2 0.650 106.7 51.7 -67.9 -14.3 86.9 36.5 36.1 114 158 A V H X S+ 0 0 119 -4,-1.4 4,-3.2 1,-0.2 3,-1.2 0.903 106.3 63.9 -62.4 -42.5 88.2 31.4 38.4 116 160 A M H 3X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 5,-0.2 0.796 91.5 61.6 -55.1 -36.7 86.5 34.1 40.6 117 161 A V H 3X S+ 0 0 0 -4,-0.5 4,-1.0 -3,-0.2 -1,-0.3 0.847 117.5 30.2 -64.6 -32.1 83.0 32.7 40.1 118 162 A T H < S+ 0 0 60 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.940 112.4 44.1 -50.1 -51.5 83.9 27.3 53.9 127 171 A H H >< S+ 0 0 21 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.724 108.2 56.5 -75.5 -23.1 82.7 30.2 56.0 128 172 A L H >< S+ 0 0 3 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.693 103.8 54.8 -79.8 -18.7 79.1 29.0 56.0 129 173 A D T << S+ 0 0 95 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.418 108.9 51.6 -87.7 -1.2 80.3 25.7 57.5 130 174 A R T X + 0 0 117 -3,-0.5 3,-1.7 -4,-0.1 -1,-0.2 -0.317 62.8 139.1-128.2 47.6 81.9 27.8 60.2 131 175 A L G X> + 0 0 27 -3,-0.6 3,-2.0 1,-0.3 4,-1.6 0.692 59.3 79.9 -67.0 -17.9 79.0 29.9 61.4 132 176 A E G 34 S+ 0 0 145 1,-0.3 -1,-0.3 2,-0.2 -4,-0.1 0.680 84.7 64.7 -58.1 -18.2 80.2 29.4 65.0 133 177 A E G <4 S+ 0 0 116 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 0.528 118.0 19.5 -82.5 -9.1 82.7 32.1 64.1 134 178 A V T <4 S+ 0 0 17 -3,-2.0 8,-1.9 -4,-0.1 2,-0.4 0.362 99.2 103.8-146.1 -6.8 80.1 34.8 63.6 135 179 A T B < -D 141 0B 49 -4,-1.6 6,-0.2 6,-0.2 312,-0.1 -0.753 57.3-135.7-100.5 135.9 76.9 33.7 65.4 136 180 A N > - 0 0 85 4,-2.6 3,-1.2 -2,-0.4 -2,-0.1 -0.114 31.5-104.1 -65.0 168.4 75.5 34.9 68.7 137 181 A E T 3 S+ 0 0 189 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.845 127.6 49.4 -63.5 -35.8 74.1 32.7 71.5 138 182 A S T 3 S- 0 0 72 2,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.115 129.8-100.3 -90.7 23.0 70.6 33.9 70.3 139 183 A G S < S+ 0 0 29 -3,-1.2 2,-0.6 1,-0.2 309,-0.5 0.650 70.2 154.0 72.0 19.3 71.6 33.0 66.7 140 184 A Y E - E 0 447B 76 307,-0.1 -4,-2.6 305,-0.1 2,-0.4 -0.693 31.4-149.5 -82.2 120.0 72.4 36.5 65.6 141 185 A V E -DE 135 446B 1 305,-3.6 305,-1.8 -2,-0.6 2,-1.5 -0.739 13.8-134.4 -93.7 137.2 74.9 36.5 62.8 142 186 A D > + 0 0 56 -8,-1.9 4,-2.4 -2,-0.4 5,-0.2 -0.701 30.3 178.3 -83.1 84.2 77.4 39.3 62.2 143 187 A V H > S+ 0 0 0 -2,-1.5 4,-3.1 301,-0.3 5,-0.3 0.963 73.0 56.8 -56.5 -57.7 76.8 39.6 58.5 144 188 A L H > S+ 0 0 5 300,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.857 112.1 42.1 -37.6 -53.2 79.2 42.5 57.9 145 189 A T H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.959 112.8 51.3 -66.9 -51.1 82.1 40.5 59.4 146 190 A L H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.934 113.9 46.3 -46.8 -52.6 81.3 37.2 57.7 147 191 A L H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.921 109.8 52.0 -59.2 -49.8 81.1 39.1 54.4 148 192 A R H X S+ 0 0 16 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.860 110.3 51.3 -56.2 -36.7 84.3 41.0 54.9 149 193 A R H X S+ 0 0 41 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.890 111.3 43.8 -70.8 -42.3 86.1 37.8 55.7 150 194 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.835 112.7 55.0 -73.0 -31.1 85.0 35.9 52.6 151 195 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.896 112.2 42.0 -63.6 -43.6 85.7 39.0 50.5 152 196 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.871 115.6 49.8 -70.8 -39.4 89.3 39.1 51.8 153 197 A D H X S+ 0 0 27 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.938 113.1 47.5 -62.0 -47.4 89.6 35.3 51.5 154 198 A T H X S+ 0 0 1 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.959 113.7 46.5 -56.3 -55.7 88.3 35.5 47.9 155 199 A S H >X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 3,-0.5 0.893 114.7 47.6 -56.5 -47.4 90.6 38.4 47.0 156 200 A N H 3X>S+ 0 0 10 -4,-2.8 5,-4.0 1,-0.2 4,-2.3 0.968 109.9 49.3 -60.2 -56.2 93.7 36.7 48.5 157 201 A T H 3<5S+ 0 0 46 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.610 121.1 38.6 -65.5 -9.1 93.2 33.3 47.0 158 202 A L H <<5S+ 0 0 13 -4,-0.9 76,-0.3 -3,-0.5 -1,-0.2 0.833 127.6 24.7-101.7 -45.1 92.7 34.9 43.6 159 203 A F H <5S+ 0 0 11 -4,-2.9 76,-2.1 -5,-0.2 -3,-0.2 0.537 139.9 2.3-101.4 -11.5 95.2 37.8 43.4 160 204 A L T <5 - 0 0 2 -4,-2.3 -3,-0.2 -5,-0.3 -4,-0.1 0.546 69.4-158.8-144.4 -37.2 98.0 36.9 45.9 161 205 A R < + 0 0 102 -5,-4.0 -4,-0.1 -6,-0.2 -5,-0.1 0.906 38.6 136.7 29.2 78.3 97.5 33.4 47.4 162 206 A I - 0 0 7 55,-0.0 -1,-0.2 56,-0.0 52,-0.1 -0.977 62.1-103.4-134.7 132.9 99.6 33.6 50.6 163 207 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.354 52.1 171.2 -56.6 134.5 98.2 32.2 53.9 164 208 A L - 0 0 39 -2,-0.0 2,-1.4 -11,-0.0 3,-0.1 -0.931 46.0 -93.3-142.4 163.8 97.1 35.1 56.2 165 209 A D > - 0 0 103 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 -0.671 41.3-169.3 -80.5 93.0 95.3 35.8 59.5 166 210 A E H > S+ 0 0 46 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.934 80.2 43.4 -48.0 -65.8 91.8 36.4 58.0 167 211 A S H > S+ 0 0 40 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.843 116.9 47.7 -48.8 -46.2 90.1 37.8 61.1 168 212 A A H >> S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.954 110.5 48.5 -65.0 -53.8 93.0 40.0 62.0 169 213 A I H 3X S+ 0 0 12 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.842 105.2 60.4 -58.1 -37.8 93.6 41.6 58.5 170 214 A V H 3X S+ 0 0 7 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.901 106.4 46.0 -57.2 -41.7 89.9 42.4 58.2 171 215 A V H < S+ 0 0 8 -4,-1.7 3,-0.6 -3,-0.3 -2,-0.2 0.956 116.1 36.9 -77.6 -53.9 89.2 60.8 57.6 183 227 A L H 3< S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 -106,-0.2 0.444 88.2 98.6 -82.1 -1.4 92.3 62.4 56.1 184 228 A L T 3< S+ 0 0 1 -4,-0.9 -110,-2.0 1,-0.2 -1,-0.2 0.858 103.4 10.3 -63.7 -37.4 91.0 62.6 52.5 185 229 A I S < S+ 0 0 10 -3,-0.6 -1,-0.2 -4,-0.3 -139,-0.2 0.141 87.8 135.7-129.3 20.9 89.8 66.2 52.7 186 230 A K - 0 0 41 -3,-0.4 -109,-0.2 -4,-0.1 -110,-0.2 -0.586 60.2-112.7 -70.5 126.5 91.3 67.5 56.0 187 231 A P > - 0 0 26 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.206 26.9-106.5 -62.6 152.3 92.9 71.0 55.4 188 232 A D T >> S+ 0 0 94 1,-0.3 3,-1.7 2,-0.2 4,-0.7 0.804 116.7 67.5 -54.6 -37.5 96.7 71.3 55.7 189 233 A I H >> S+ 0 0 134 1,-0.3 3,-1.0 2,-0.2 4,-0.9 0.830 92.1 63.8 -44.6 -42.2 96.4 73.1 59.1 190 234 A F H <4 S+ 0 0 34 -3,-2.0 -1,-0.3 1,-0.2 6,-0.2 0.774 98.1 53.9 -56.0 -33.4 95.0 69.8 60.5 191 235 A F H <4 S+ 0 0 19 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.682 96.0 66.4 -83.5 -18.5 98.3 68.0 59.9 192 236 A K H << S+ 0 0 178 -3,-1.0 2,-1.5 -4,-0.7 -1,-0.2 0.911 91.4 64.9 -64.3 -44.2 100.4 70.6 61.8 193 237 A I S >< S- 0 0 86 -4,-0.9 3,-1.8 1,-0.2 4,-0.5 -0.597 74.8-172.3 -87.0 85.8 98.8 69.6 65.1 194 238 A S G >> S+ 0 0 58 -2,-1.5 4,-2.3 1,-0.3 3,-0.7 0.691 71.4 63.2 -59.7 -36.8 100.2 66.0 65.3 195 239 A W G 34 S+ 0 0 210 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.541 100.2 61.2 -68.0 -2.7 98.4 64.5 68.3 196 240 A L G <4 S+ 0 0 78 -3,-1.8 -1,-0.2 -6,-0.2 -2,-0.2 0.817 117.9 21.2 -89.2 -36.3 95.1 65.0 66.4 197 241 A Y T X> S+ 0 0 41 -3,-0.7 3,-1.8 -4,-0.5 4,-1.3 0.656 96.4 88.9-107.0 -22.0 95.9 62.8 63.4 198 242 A K H 3X S+ 0 0 113 -4,-2.3 4,-0.6 1,-0.3 -3,-0.1 0.647 77.3 74.2 -61.2 -13.3 98.6 60.4 64.6 199 243 A K H >> S+ 0 0 137 2,-0.2 3,-0.9 1,-0.2 4,-0.6 0.962 102.8 38.7 -52.1 -54.1 95.7 58.1 65.7 200 244 A Y H X> S+ 0 0 57 -3,-1.8 4,-1.8 1,-0.2 3,-1.1 0.872 102.9 68.9 -69.9 -43.7 95.2 57.3 62.0 201 245 A E H 3X S+ 0 0 94 -4,-1.3 4,-1.3 1,-0.3 -1,-0.2 0.724 100.2 53.8 -42.2 -26.7 98.9 57.2 61.2 202 246 A K H > + 0 0 134 1,-0.2 3,-0.7 2,-0.1 4,-0.5 -0.676 62.6 173.2 -89.3 89.0 107.4 26.3 36.4 228 272 A L T 34 S+ 0 0 50 -2,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.762 75.9 61.3 -65.2 -28.8 106.9 30.1 36.7 229 273 A E T 34 S+ 0 0 166 1,-0.2 3,-0.5 -3,-0.1 -1,-0.2 0.786 94.3 66.5 -68.7 -30.2 104.9 30.2 33.5 230 274 A E T <4 S+ 0 0 144 -3,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.824 105.2 35.1 -58.8 -39.6 102.3 27.9 35.0 231 275 A C < + 0 0 36 -4,-0.5 2,-0.4 -3,-0.5 -1,-0.2 -0.557 66.5 167.2-133.6 64.7 100.9 30.1 37.7 232 276 A M + 0 0 79 -3,-0.5 2,-0.3 -2,-0.3 -3,-0.0 -0.652 10.5 163.3 -85.5 132.6 100.6 33.9 37.0 233 277 A D > - 0 0 13 -2,-0.4 4,-2.8 -74,-0.1 3,-0.3 -0.909 51.8 -87.7-140.2 169.0 98.6 36.1 39.3 234 278 A F H > S+ 0 0 6 -76,-0.3 4,-2.0 -2,-0.3 5,-0.2 0.865 123.8 45.4 -42.9 -56.2 98.2 39.8 40.1 235 279 A A H > S+ 0 0 0 -76,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.892 114.6 48.2 -59.7 -43.2 101.0 40.0 42.7 236 280 A T H > S+ 0 0 5 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.966 107.7 55.0 -62.0 -53.3 103.4 38.0 40.6 237 281 A E H X S+ 0 0 45 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.880 112.3 44.2 -44.3 -50.9 102.7 40.2 37.5 238 282 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.944 111.4 51.9 -60.6 -53.2 103.6 43.3 39.4 239 283 A I H X S+ 0 0 2 -4,-2.4 4,-1.6 1,-0.3 -2,-0.2 0.862 111.2 47.8 -56.7 -40.4 106.7 41.8 41.1 240 284 A L H X S+ 0 0 41 -4,-2.7 4,-1.2 2,-0.2 -1,-0.3 0.844 108.8 54.0 -69.5 -35.2 108.1 40.7 37.7 241 285 A A H <>S+ 0 0 0 -4,-1.7 5,-1.9 -5,-0.3 6,-0.5 0.912 110.5 47.2 -61.6 -42.7 107.4 44.2 36.3 242 286 A E H <5S+ 0 0 43 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.853 105.6 59.5 -61.6 -37.6 109.4 45.6 39.2 243 287 A K H <5S+ 0 0 130 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.723 110.7 44.0 -70.7 -25.4 112.1 43.0 38.4 244 288 A R T <5S- 0 0 150 -4,-1.2 -3,-0.1 -3,-0.4 -2,-0.1 0.433 121.3 -94.9 -75.0-128.4 112.3 44.6 35.0 245 289 A G T 5S+ 0 0 68 -4,-0.0 -3,-0.2 3,-0.0 -4,-0.1 0.242 95.5 103.8-136.0 17.6 112.3 48.3 35.5 246 290 A D S - 0 0 81 -2,-0.3 4,-2.6 1,-0.1 3,-0.4 -0.695 27.2-126.1 -83.5 143.1 108.9 50.9 42.1 249 293 A R H > S+ 0 0 121 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.912 113.2 54.8 -52.6 -45.4 108.8 48.4 45.0 250 294 A E H > S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.846 110.1 46.0 -53.1 -41.7 106.8 51.0 47.0 251 295 A N H > S+ 0 0 3 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.928 110.3 51.2 -72.2 -50.2 104.2 51.2 44.2 252 296 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.965 110.5 51.9 -45.2 -57.3 104.0 47.4 43.8 253 297 A N H X S+ 0 0 12 -4,-2.8 4,-1.7 1,-0.3 -1,-0.2 0.846 109.6 48.0 -52.5 -40.9 103.4 47.2 47.5 254 298 A Q H X S+ 0 0 2 -4,-1.6 4,-3.2 2,-0.2 -1,-0.3 0.880 109.4 53.3 -69.7 -37.0 100.6 49.8 47.4 255 299 A C H X S+ 0 0 0 -4,-2.5 4,-2.1 -3,-0.3 -2,-0.2 0.900 107.3 49.8 -66.3 -43.7 98.8 48.0 44.5 256 300 A I H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.940 114.0 46.7 -59.8 -46.6 98.7 44.7 46.3 257 301 A L H X S+ 0 0 3 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.951 111.8 51.2 -56.8 -50.2 97.3 46.5 49.3 258 302 A E H X S+ 0 0 1 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.782 110.4 49.2 -61.4 -28.4 94.8 48.4 47.1 259 303 A M H X S+ 0 0 9 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.915 110.9 48.8 -77.1 -44.0 93.7 45.1 45.5 260 304 A L H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 3,-0.2 0.881 114.5 43.8 -62.2 -42.5 93.2 43.3 48.8 261 305 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.829 96.7 77.5 -72.5 -30.9 91.1 46.0 50.5 262 306 A A H < S+ 0 0 40 -4,-1.0 4,-0.5 -5,-0.2 5,-0.3 0.835 95.7 42.7 -53.8 -50.5 88.9 46.9 47.5 263 307 A A T >X>S+ 0 0 9 -4,-0.7 4,-2.6 1,-0.2 3,-1.6 0.961 116.7 45.9 -63.0 -55.5 86.5 43.9 47.7 264 308 A P T 345S+ 0 0 3 0, 0.0 5,-0.4 0, 0.0 -2,-0.2 0.808 108.8 59.2 -56.1 -31.7 86.0 44.0 51.5 265 309 A D T 3<5S+ 0 0 19 -4,-2.4 -2,-0.2 3,-0.1 -3,-0.1 0.681 127.6 6.3 -68.4 -17.1 85.6 47.8 51.3 266 310 A T T <>5S+ 0 0 50 -3,-1.6 4,-2.2 -4,-0.5 -3,-0.2 0.685 119.6 57.9-139.4 -46.8 82.6 47.6 49.0 267 311 A M H X5S+ 0 0 9 -4,-2.6 4,-3.6 -5,-0.3 5,-0.3 0.964 108.1 50.5 -61.8 -53.5 81.2 44.1 48.3 268 312 A S H > S+ 0 0 5 -5,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.907 116.7 49.1 -57.3 -42.3 78.6 46.6 52.6 270 314 A S H X S+ 0 0 14 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.909 113.1 44.6 -64.5 -45.4 76.8 46.2 49.2 271 315 A L H X S+ 0 0 0 -4,-3.6 4,-3.3 2,-0.2 -1,-0.2 0.861 109.9 57.6 -70.3 -34.5 75.7 42.6 49.9 272 316 A F H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.3 5,-0.2 0.974 109.8 42.9 -55.6 -55.4 74.8 43.6 53.4 273 317 A F H X S+ 0 0 2 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.833 114.8 52.4 -58.7 -33.5 72.4 46.2 52.0 274 318 A M H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.909 106.6 52.3 -67.5 -42.4 71.3 43.6 49.5 275 319 A L H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.896 110.2 47.5 -63.4 -41.9 70.6 41.0 52.2 276 320 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.875 109.6 54.6 -63.3 -39.4 68.4 43.4 54.2 277 321 A L H < S+ 0 0 2 -4,-1.6 4,-0.3 -5,-0.2 -2,-0.2 0.913 108.0 49.4 -62.8 -41.3 66.5 44.3 51.0 278 322 A I H >< S+ 0 0 0 -4,-2.3 3,-1.8 2,-0.2 7,-0.3 0.951 107.9 53.5 -61.2 -49.6 65.8 40.6 50.4 279 323 A A H 3< S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.921 113.4 41.9 -53.1 -49.4 64.5 40.1 54.0 280 324 A K T 3< S+ 0 0 81 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.358 111.1 60.8 -83.0 6.5 62.0 42.9 53.8 281 325 A H <> + 0 0 38 -3,-1.8 4,-1.7 -4,-0.3 3,-0.3 -0.629 55.6 164.7-132.6 78.7 61.0 42.0 50.2 282 326 A P H > S+ 0 0 79 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.787 74.5 61.0 -66.5 -33.6 59.5 38.4 50.2 283 327 A N H > S+ 0 0 106 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.930 108.5 43.2 -53.9 -51.5 57.9 38.8 46.8 284 328 A V H > S+ 0 0 14 -3,-0.3 4,-1.6 1,-0.2 3,-0.2 0.881 107.2 59.1 -65.4 -43.0 61.3 39.4 45.2 285 329 A E H X S+ 0 0 16 -4,-1.7 4,-1.5 -7,-0.3 -1,-0.2 0.755 101.7 55.5 -66.3 -23.7 63.1 36.6 47.1 286 330 A E H X S+ 0 0 133 -4,-1.1 4,-2.2 -3,-0.4 -1,-0.2 0.916 104.7 52.2 -71.1 -44.6 60.8 34.0 45.7 287 331 A A H X S+ 0 0 41 -4,-1.1 4,-2.3 -3,-0.2 -2,-0.2 0.871 109.1 51.8 -55.7 -40.7 61.5 35.0 42.1 288 332 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.860 108.8 48.5 -67.5 -39.4 65.3 34.6 42.9 289 333 A I H X S+ 0 0 29 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.881 110.8 51.5 -69.8 -38.8 64.9 31.1 44.3 290 334 A K H X S+ 0 0 121 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.962 108.6 51.1 -58.6 -53.0 62.8 30.0 41.3 291 335 A E H X S+ 0 0 25 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.888 111.2 48.5 -51.3 -44.8 65.5 31.3 39.0 292 336 A I H X>S+ 0 0 8 -4,-1.9 4,-3.1 2,-0.2 5,-2.0 0.932 112.2 48.1 -63.3 -46.9 68.1 29.3 40.9 293 337 A Q H <5S+ 0 0 114 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.927 117.4 43.2 -55.9 -49.6 66.0 26.1 40.8 294 338 A T H <5S+ 0 0 121 -4,-3.3 -2,-0.2 1,-0.1 -1,-0.2 0.945 125.9 30.4 -59.3 -54.2 65.4 26.6 37.1 295 339 A V H <5S+ 0 0 28 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.873 137.6 11.0 -80.3 -39.9 69.0 27.6 36.1 296 340 A I T ><5 + 0 0 2 -4,-3.1 3,-1.5 -5,-0.3 -3,-0.2 0.782 68.1 175.2-116.2 -37.3 71.2 25.7 38.7 297 341 A G T 3 > - 0 0 100 -3,-0.1 3,-2.1 1,-0.1 4,-0.5 -0.862 39.3-101.5-129.9 162.5 79.7 27.8 37.1 303 347 A I G >4 S+ 0 0 47 -2,-0.3 3,-1.2 1,-0.3 4,-0.4 0.837 116.2 61.0 -51.2 -40.9 80.6 30.7 34.8 304 348 A D G 34 S+ 0 0 124 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.589 97.4 62.9 -67.6 -10.7 78.0 29.8 32.1 305 349 A D G X> S+ 0 0 10 -3,-2.1 4,-1.1 1,-0.1 3,-0.6 0.779 81.8 76.9 -81.8 -29.3 75.3 30.3 34.7 306 350 A I T << S+ 0 0 31 -3,-1.2 7,-0.2 -4,-0.5 -1,-0.1 0.784 91.0 51.9 -65.0 -32.6 75.7 34.0 35.4 307 351 A Q T 34 S+ 0 0 166 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.885 107.1 55.4 -65.4 -37.9 74.1 35.4 32.3 308 352 A K T <4 S+ 0 0 135 -3,-0.6 2,-2.8 -4,-0.4 3,-0.3 0.769 82.1 87.5 -68.0 -29.8 71.0 33.3 32.9 309 353 A L X + 0 0 0 -4,-1.1 4,-1.8 1,-0.2 -1,-0.2 -0.427 53.7 151.8 -70.5 72.1 70.5 34.7 36.4 310 354 A K H > + 0 0 109 -2,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.907 63.6 48.4 -76.4 -46.5 68.4 37.5 35.0 311 355 A V H > S+ 0 0 42 -3,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.951 113.9 47.8 -59.3 -52.0 66.1 38.3 37.9 312 356 A M H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.928 106.8 56.6 -53.7 -52.7 69.0 38.4 40.3 313 357 A E H X S+ 0 0 37 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.917 109.7 46.5 -43.9 -50.5 71.1 40.7 38.0 314 358 A N H X S+ 0 0 21 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.865 109.7 54.0 -64.2 -37.1 68.2 43.1 38.1 315 359 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.934 108.0 49.2 -59.5 -50.4 67.9 42.8 41.9 316 360 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.912 114.0 46.7 -55.8 -45.8 71.6 43.7 42.3 317 361 A Y H X S+ 0 0 55 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.930 113.5 46.9 -63.3 -47.1 71.2 46.7 40.0 318 362 A E H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.870 111.8 52.1 -65.4 -36.1 68.0 47.9 41.7 319 363 A S H X S+ 0 0 3 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.928 113.1 43.3 -62.7 -47.2 69.7 47.5 45.1 320 364 A M H < S+ 0 0 25 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.796 116.0 49.7 -68.6 -31.3 72.7 49.5 44.0 321 365 A R H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.977 123.0 29.9 -66.7 -55.8 70.4 52.1 42.4 322 366 A Y H < S+ 0 0 23 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.922 135.1 25.9 -74.8 -51.7 68.1 52.4 45.5 323 367 A Q S < S- 0 0 17 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.725 84.2-177.0-112.3 79.7 70.6 51.7 48.4 324 368 A P - 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