==== 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 AMINOACYL-TRNA SYNTHASE 20-JUL-94 1GLN . COMPND 2 MOLECULE: GLUTAMYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR O.NUREKI,D.G.VASSYLYEV,K.KATAYANAGI,T.SHIMIZU,S.SEKINE,T.KIG . 468 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.7 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 29 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 2 0 2 1 1 1 3 4 3 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 PARALLEL BRIDGES PER LADDER . 3 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 1 A M 0 0 145 0, 0.0 34,-0.2 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 67.0 33.7 25.6 -25.2 2 2 A V - 0 0 15 30,-0.3 33,-1.2 27,-0.1 2,-0.4 -0.277 360.0-176.8 -41.1 127.1 30.0 25.9 -24.8 3 3 A V E +a 35 0A 5 31,-0.2 198,-2.7 196,-0.1 199,-1.4 -0.982 2.9 179.6-133.5 122.6 29.0 22.7 -23.0 4 4 A T E -a 36 0A 0 31,-2.7 33,-2.9 -2,-0.4 2,-0.3 -0.737 4.1-171.3-118.6 166.7 25.2 22.2 -22.4 5 5 A R E -a 37 0A 11 197,-0.3 2,-0.3 -2,-0.3 199,-0.3 -0.916 19.6-146.8-145.2 172.6 23.2 19.3 -20.8 6 6 A I E -a 38 0A 8 31,-0.6 33,-1.7 -2,-0.3 199,-0.1 -0.877 13.7-165.5-134.6 151.3 19.7 18.0 -20.2 7 7 A A + 0 0 20 -2,-0.3 33,-0.2 31,-0.2 2,-0.1 -0.692 15.8 174.4-146.2 78.7 19.1 16.2 -16.9 8 8 A P - 0 0 10 0, 0.0 33,-2.5 0, 0.0 -2,-0.1 -0.385 27.9-124.6 -82.0 165.5 15.8 14.4 -17.1 9 9 A S - 0 0 41 31,-0.2 2,-3.5 -2,-0.1 33,-0.2 -0.980 13.4-129.3-119.0 127.3 14.6 12.0 -14.3 10 10 A P S S+ 0 0 0 0, 0.0 39,-2.7 0, 0.0 42,-0.3 -0.172 73.5 119.7 -66.7 46.6 13.7 8.4 -15.1 11 11 A T S S- 0 0 50 -2,-3.5 2,-0.3 37,-0.2 37,-0.1 -0.218 79.7 -52.6-105.4 36.1 10.4 8.9 -13.4 12 12 A G S S+ 0 0 22 37,-0.3 3,-0.1 3,-0.0 43,-0.1 -0.899 91.5 14.3 139.8-166.4 8.3 8.2 -16.4 13 13 A D S S- 0 0 84 -2,-0.3 -2,-0.1 1,-0.2 39,-0.1 -0.288 77.0 -94.4 -51.9 128.0 7.4 8.8 -20.0 14 14 A P - 0 0 5 0, 0.0 239,-2.1 0, 0.0 240,-0.4 -0.230 52.3-137.8 -48.4 113.1 9.7 10.7 -22.3 15 15 A H B >> -C 252 0B 53 237,-0.2 4,-1.4 1,-0.1 3,-0.8 -0.654 15.2-138.6 -86.3 143.6 8.2 14.2 -21.9 16 16 A V H 3> S+ 0 0 0 235,-1.8 4,-2.5 -2,-0.3 -1,-0.1 0.873 108.6 66.1 -60.7 -33.8 7.7 16.6 -24.9 17 17 A G H 3> S+ 0 0 15 234,-0.3 4,-2.2 1,-0.3 -1,-0.3 0.852 100.2 45.9 -55.2 -42.6 8.9 19.0 -22.3 18 18 A T H <> S+ 0 0 33 -3,-0.8 4,-2.5 2,-0.2 -1,-0.3 0.821 108.2 55.2 -73.4 -36.2 12.4 17.3 -22.2 19 19 A A H X S+ 0 0 1 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.934 111.6 48.7 -59.5 -44.0 12.5 17.2 -26.1 20 20 A Y H X S+ 0 0 4 -4,-2.5 4,-1.0 2,-0.2 3,-0.4 0.909 112.8 41.8 -60.1 -57.9 11.9 20.9 -25.9 21 21 A I H X S+ 0 0 24 -4,-2.2 4,-1.0 1,-0.2 3,-0.5 0.918 115.4 55.1 -62.7 -37.9 14.6 21.9 -23.3 22 22 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.775 99.7 57.6 -61.0 -36.6 17.0 19.5 -25.0 23 23 A L H X S+ 0 0 0 -4,-1.6 4,-3.3 -3,-0.4 -1,-0.2 0.793 107.6 46.0 -67.3 -37.7 16.7 21.0 -28.5 24 24 A F H X S+ 0 0 0 -4,-1.0 4,-1.7 -3,-0.5 -1,-0.2 0.701 115.6 48.7 -76.8 -20.4 17.8 24.5 -27.4 25 25 A N H X S+ 0 0 0 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.843 114.6 44.3 -83.8 -40.4 20.6 22.8 -25.5 26 26 A Y H X S+ 0 0 26 -4,-2.1 4,-1.6 2,-0.2 5,-0.4 0.949 115.7 48.6 -69.9 -50.9 21.5 20.7 -28.5 27 27 A A H X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 5,-0.3 0.943 108.5 51.0 -50.6 -62.4 21.2 23.8 -30.8 28 28 A W H < S+ 0 0 34 -4,-1.7 4,-0.3 2,-0.2 6,-0.3 0.921 112.9 48.1 -47.1 -49.4 23.4 26.1 -28.6 29 29 A A H ><>S+ 0 0 0 -4,-1.3 3,-4.9 2,-0.2 5,-1.1 0.980 115.6 39.2 -50.3 -80.4 26.2 23.6 -28.5 30 30 A R H ><5S+ 0 0 68 -4,-1.6 3,-0.9 1,-0.3 -1,-0.2 0.811 110.1 61.5 -39.7 -42.4 26.5 22.6 -32.1 31 31 A R T 3<5S+ 0 0 94 -4,-2.9 -1,-0.3 -5,-0.4 -2,-0.2 0.670 114.9 37.2 -66.6 -8.9 25.9 26.2 -33.0 32 32 A N T < 5S- 0 0 68 -3,-4.9 -30,-0.3 -4,-0.3 -2,-0.3 0.350 110.7-108.1-126.4 8.4 29.2 26.7 -31.1 33 33 A G T < 5S+ 0 0 67 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.225 83.0 127.9 83.8 -18.2 31.5 23.7 -31.7 34 34 A G < - 0 0 3 -5,-1.1 2,-0.3 -6,-0.3 -31,-0.2 0.223 59.3 -96.5 -65.8-176.1 30.7 22.7 -28.2 35 35 A R E -a 3 0A 61 -33,-1.2 -31,-2.7 -34,-0.2 2,-0.6 -0.856 14.9-149.3-114.9 145.7 29.4 19.6 -26.4 36 36 A F E -a 4 0A 0 -2,-0.3 32,-1.6 -33,-0.2 33,-0.8 -0.947 22.9-167.8-121.3 105.2 26.0 18.4 -25.3 37 37 A I E -ab 5 69A 0 -33,-2.9 -31,-0.6 -2,-0.6 2,-0.4 -0.460 12.0-147.1 -92.5 159.3 26.0 16.2 -22.3 38 38 A V E -a 6 0A 0 31,-1.7 2,-0.4 -33,-0.2 -31,-0.2 -0.965 14.8-179.9-138.5 117.8 23.4 14.0 -20.7 39 39 A R - 0 0 0 -33,-1.7 2,-0.5 -2,-0.4 42,-0.2 -0.969 22.5-136.0-117.2 124.4 23.1 13.4 -16.9 40 40 A I - 0 0 0 40,-0.5 42,-2.5 -2,-0.4 2,-1.4 -0.678 6.8-152.7 -88.3 126.1 20.4 11.2 -15.4 41 41 A E + 0 0 29 -33,-2.5 3,-0.2 -2,-0.5 -34,-0.1 -0.699 37.4 149.6 -98.7 82.0 18.7 12.7 -12.3 42 42 A D + 0 0 11 -2,-1.4 -1,-0.2 -33,-0.2 6,-0.1 -0.145 28.4 104.2-113.7 40.7 17.8 9.5 -10.7 43 43 A T + 0 0 21 1,-0.2 2,-3.0 2,-0.1 -1,-0.1 0.824 55.8 85.0 -88.0 -36.0 17.9 10.1 -6.9 44 44 A D >> + 0 0 60 1,-0.2 3,-1.8 -3,-0.2 4,-1.0 -0.371 56.7 176.6 -71.4 70.8 14.1 10.3 -6.2 45 45 A R T 34 S+ 0 0 133 -2,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.564 74.2 63.4 -52.9 -13.4 13.9 6.5 -5.9 46 46 A A T 34 S+ 0 0 99 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.895 108.8 39.6 -75.9 -45.2 10.2 7.0 -4.9 47 47 A R T <4 S+ 0 0 128 -3,-1.8 -2,-0.2 2,-0.0 -1,-0.2 0.589 91.7 123.4 -78.4 -22.5 9.6 8.4 -8.3 48 48 A Y < - 0 0 95 -4,-1.0 -37,-0.2 -37,-0.1 -6,-0.0 -0.171 38.3-170.8 -58.0 134.2 11.8 6.0 -10.2 49 49 A V > - 0 0 72 -39,-2.7 3,-1.1 1,-0.1 4,-0.4 -0.991 22.6-131.0-130.8 119.2 10.5 3.9 -13.0 50 50 A P T 3 S+ 0 0 85 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.718 97.2 27.6 -35.0 -59.6 12.8 1.2 -14.4 51 51 A G T 3> S+ 0 0 34 1,-0.2 4,-1.7 2,-0.1 5,-0.2 0.438 95.2 97.8 -93.5 1.2 12.8 1.4 -18.2 52 52 A A H <> S+ 0 0 1 -3,-1.1 4,-0.6 -42,-0.3 -1,-0.2 0.704 81.2 52.0 -55.3 -37.0 12.1 5.1 -18.1 53 53 A E H >> S+ 0 0 6 -3,-0.4 4,-1.9 -4,-0.4 3,-1.4 0.961 108.6 51.1 -63.8 -57.4 15.8 6.0 -18.5 54 54 A E H 3> S+ 0 0 118 -4,-0.3 4,-1.3 1,-0.3 -2,-0.2 0.768 110.0 48.1 -44.7 -47.1 16.1 3.8 -21.5 55 55 A R H 3X S+ 0 0 89 -4,-1.7 4,-1.3 2,-0.2 -1,-0.3 0.627 108.2 56.8 -74.0 -20.9 13.1 5.3 -23.3 56 56 A I H S+ 0 0 4 -4,-1.7 5,-3.2 2,-0.2 -1,-0.2 0.826 112.2 47.8 -64.4 -32.8 16.2 12.2 -28.0 61 61 A K H <5S+ 0 0 118 -4,-1.1 3,-0.3 3,-0.2 -2,-0.2 0.794 106.2 60.5 -73.7 -28.7 18.0 10.0 -30.6 62 62 A W H <5S+ 0 0 58 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.909 105.5 44.0 -67.6 -44.8 14.6 9.6 -32.2 63 63 A L T <5S- 0 0 0 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.507 122.3-111.9 -77.6 -4.4 14.4 13.3 -32.8 64 64 A G T 5S+ 0 0 30 -3,-0.3 2,-0.9 -5,-0.2 -3,-0.2 0.816 71.9 139.8 77.7 37.2 18.0 13.1 -34.0 65 65 A L < - 0 0 0 -5,-3.2 2,-0.3 -6,-0.1 -1,-0.2 -0.857 33.9-169.8-109.1 91.9 19.5 15.1 -31.1 66 66 A S - 0 0 63 -2,-0.9 2,-0.3 -5,-0.1 -30,-0.1 -0.620 6.6-150.1 -89.9 148.6 22.7 13.2 -30.3 67 67 A Y - 0 0 32 -2,-0.3 -30,-0.2 -32,-0.1 3,-0.1 -0.847 15.3-145.1-114.1 150.4 24.8 13.8 -27.3 68 68 A D S S+ 0 0 71 -32,-1.6 2,-0.3 -2,-0.3 -31,-0.2 0.399 89.1 30.4 -94.3 -2.2 28.6 13.4 -26.8 69 69 A E B S+b 37 0A 4 -33,-0.8 -31,-1.7 6,-0.1 -1,-0.2 -0.919 73.7 123.3-157.4 129.7 28.3 12.2 -23.1 70 70 A G B >> -D 74 0C 0 4,-1.1 3,-0.5 -2,-0.3 4,-0.5 -0.897 64.6 -79.8-171.1-178.8 25.5 10.3 -21.4 71 71 A P G >4 S+ 0 0 14 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.893 114.7 59.9 -61.6 -60.1 24.9 7.1 -19.4 72 72 A D G 34 S+ 0 0 66 1,-0.3 -18,-0.0 2,-0.1 0, 0.0 0.538 126.0 23.5 -48.8 -14.8 24.7 4.3 -21.9 73 73 A V G <4 S- 0 0 105 -3,-0.5 -1,-0.3 1,-0.1 0, 0.0 0.375 87.9-154.2-139.1 1.8 28.2 5.3 -22.8 74 74 A A B << -D 70 0C 50 -3,-1.0 -4,-1.1 -4,-0.5 -1,-0.1 -0.079 20.0-173.5 46.8-147.7 29.9 7.2 -19.8 75 75 A A - 0 0 35 -6,-0.2 3,-0.5 1,-0.1 -6,-0.1 -0.924 42.9 -44.6 152.4-172.3 32.7 9.5 -20.9 76 76 A P S S+ 0 0 113 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 0.879 120.5 65.3 -46.6 -51.5 35.4 11.7 -19.5 77 77 A T S S- 0 0 30 1,-0.2 121,-0.1 121,-0.1 -3,-0.1 -0.209 96.3-135.1 -84.6 53.2 33.3 13.3 -16.8 78 78 A G + 0 0 32 -2,-1.7 -1,-0.2 -3,-0.5 7,-0.1 0.099 68.3 33.2 31.3-140.4 32.8 10.2 -14.8 79 79 A P - 0 0 46 0, 0.0 2,-0.1 0, 0.0 3,-0.0 -0.078 45.7-175.8 -54.0 136.7 29.3 9.4 -13.6 80 80 A Y + 0 0 5 -9,-0.1 -40,-0.5 -41,-0.1 2,-0.2 -0.698 68.4 73.5-125.7 60.4 26.3 10.4 -15.6 81 81 A R S >> S- 0 0 63 -42,-0.2 3,-2.1 -2,-0.1 4,-0.9 -0.587 70.5-145.4-179.1 111.1 23.8 9.3 -12.9 82 82 A Q T 34 S+ 0 0 7 -42,-2.5 3,-0.3 1,-0.3 4,-0.2 0.788 99.0 59.1 -49.7 -41.0 23.2 11.2 -9.7 83 83 A S T 34 S+ 0 0 23 -43,-0.3 -1,-0.3 1,-0.2 -42,-0.1 0.330 107.2 47.4 -74.0 -7.5 22.5 8.1 -7.7 84 84 A E T <4 S+ 0 0 103 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.514 106.7 56.9-107.9 -16.8 26.0 6.8 -8.6 85 85 A R S >< S+ 0 0 12 -4,-0.9 3,-1.4 -3,-0.3 4,-0.3 0.297 71.8 122.6 -89.9 -1.1 27.7 10.1 -7.8 86 86 A L T >> + 0 0 44 1,-0.3 3,-2.2 2,-0.2 4,-0.7 0.794 69.0 51.3 -31.9 -59.1 26.3 10.0 -4.2 87 87 A P H >> S+ 0 0 94 0, 0.0 4,-1.9 0, 0.0 3,-0.8 0.846 98.2 66.5 -53.5 -39.7 29.7 10.2 -2.4 88 88 A L H <4 S+ 0 0 49 -3,-1.4 4,-0.3 1,-0.2 -2,-0.2 0.537 101.1 53.0 -60.6 -9.3 30.7 13.3 -4.4 89 89 A Y H <> S+ 0 0 0 -3,-2.2 4,-1.8 -4,-0.3 -1,-0.2 0.621 103.8 50.6 -99.3 -28.0 27.9 15.2 -2.6 90 90 A Q H S+ 0 0 29 -4,-0.3 4,-4.4 2,-0.2 5,-0.3 0.853 113.8 57.6 -87.8 -37.3 31.3 19.0 -1.0 93 93 A A H X S+ 0 0 0 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.941 114.6 41.3 -51.3 -44.3 28.5 19.2 1.5 94 94 A E H >X S+ 0 0 68 -4,-3.6 4,-3.3 2,-0.2 3,-1.0 0.905 113.2 49.2 -65.6 -51.7 31.5 18.6 3.9 95 95 A E H 3< S+ 0 0 57 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.967 109.7 55.4 -54.7 -48.9 34.0 21.0 2.2 96 96 A L H 3<>S+ 0 0 0 -4,-4.4 5,-2.2 1,-0.2 6,-0.9 0.716 110.1 45.0 -55.5 -27.6 31.2 23.5 2.2 97 97 A L H X<5S+ 0 0 25 -3,-1.0 2,-3.8 -4,-0.6 3,-3.1 0.871 101.3 66.6 -79.8 -51.4 30.9 23.1 6.0 98 98 A K T 3<5S+ 0 0 122 -4,-3.3 -1,-0.2 1,-0.3 -4,-0.0 -0.422 109.4 39.9 -71.4 65.2 34.7 23.2 6.4 99 99 A R T 3 5S- 0 0 114 -2,-3.8 -1,-0.3 3,-0.2 -2,-0.2 0.235 114.7-109.7 165.5 3.5 34.4 26.8 5.3 100 100 A G T < 5S+ 0 0 36 -3,-3.1 -3,-0.2 1,-0.1 -2,-0.1 0.877 85.8 114.2 47.5 57.0 31.3 28.0 7.1 101 101 A W S - 0 0 68 1,-0.1 4,-3.7 4,-0.0 5,-0.2 -0.388 27.2-109.7 -73.9 161.1 12.9 16.7 13.7 109 109 A P H > S+ 0 0 89 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.793 125.4 53.9 -60.7 -31.3 10.5 17.1 10.8 110 110 A E H > S+ 0 0 141 2,-0.2 4,-0.7 1,-0.2 -3,-0.1 0.889 109.9 45.7 -68.1 -42.0 7.9 17.5 13.5 111 111 A E H >> S+ 0 0 108 1,-0.2 3,-1.8 2,-0.2 4,-1.7 0.965 112.8 49.7 -65.2 -52.9 10.0 20.3 15.1 112 112 A L H 3X S+ 0 0 49 -4,-3.7 4,-2.0 1,-0.3 -2,-0.2 0.882 104.3 61.8 -52.5 -42.7 10.5 21.9 11.7 113 113 A E H 3X S+ 0 0 76 -4,-2.5 4,-1.3 1,-0.2 -1,-0.3 0.713 106.3 44.6 -57.1 -23.5 6.8 21.6 11.2 114 114 A Q H X S+ 0 0 6 -4,-1.7 4,-2.7 2,-0.2 3,-1.3 0.942 109.6 53.8 -58.3 -46.0 8.7 26.6 13.5 116 116 A R H >X S+ 0 0 127 -4,-2.0 4,-2.2 1,-0.3 3,-0.9 0.960 102.9 51.4 -48.0 -70.9 7.0 26.8 10.1 117 117 A K H 3< S+ 0 0 121 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.577 122.7 37.2 -46.9 -12.0 3.4 27.4 11.5 118 118 A E H << S+ 0 0 115 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.3 0.632 127.8 24.6-116.3 -25.0 5.1 30.2 13.5 119 119 A K H << S- 0 0 98 -4,-2.7 -3,-0.2 -3,-0.9 -2,-0.2 0.298 101.5-107.6-128.8 11.6 7.7 31.9 11.4 120 120 A G S < S- 0 0 77 -4,-2.2 2,-0.3 -5,-0.3 -4,-0.2 0.201 89.4 -25.8 79.4 -13.3 6.6 31.2 7.9 121 121 A G S S- 0 0 25 -6,-0.4 2,-0.4 -5,-0.2 -3,-0.1 -0.946 108.3 -12.7 162.4-172.5 9.5 28.8 7.7 122 122 A Y - 0 0 47 -2,-0.3 53,-0.3 1,-0.2 -10,-0.0 -0.289 41.9-163.3 -60.0 111.3 12.9 27.9 9.0 123 123 A D - 0 0 76 -2,-0.4 -1,-0.2 1,-0.1 -3,-0.0 0.348 41.4-116.3 -76.7 8.6 14.4 30.7 11.0 124 124 A G > + 0 0 3 51,-0.1 3,-1.7 1,-0.1 -1,-0.1 0.823 60.6 154.2 59.8 33.2 18.0 29.2 10.7 125 125 A R G > + 0 0 97 1,-0.3 3,-2.2 2,-0.2 -1,-0.1 0.816 60.2 68.6 -62.3 -34.1 18.1 28.7 14.5 126 126 A A G > S+ 0 0 7 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.595 79.5 84.1 -63.8 -3.1 20.6 25.8 14.3 127 127 A R G < S+ 0 0 66 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.554 79.2 64.7 -75.8 -6.1 23.1 28.4 13.1 128 128 A N G < S+ 0 0 141 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.1 -0.039 74.1 108.5-103.6 28.4 23.8 29.3 16.8 129 129 A I S < S- 0 0 30 -3,-1.0 -25,-0.1 -25,-0.2 5,-0.0 -0.917 83.0-106.8-104.0 118.7 25.3 25.9 17.7 130 130 A P > - 0 0 70 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.154 31.6-122.8 -43.7 132.8 29.1 26.0 18.2 131 131 A P H > S+ 0 0 107 0, 0.0 4,-1.2 0, 0.0 -27,-0.1 0.934 110.3 46.6 -45.5 -62.7 30.6 24.4 15.1 132 132 A E H > S+ 0 0 126 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.779 110.9 54.7 -56.7 -30.0 32.6 21.7 17.1 133 133 A E H >> S+ 0 0 81 -3,-0.3 3,-2.2 1,-0.2 4,-1.4 0.999 104.2 52.9 -62.7 -62.3 29.5 21.0 19.1 134 134 A A H 3X S+ 0 0 8 -4,-2.6 4,-1.1 1,-0.3 -1,-0.2 0.702 108.4 53.5 -40.8 -29.9 27.4 20.4 16.0 135 135 A E H 3X S+ 0 0 43 -4,-1.2 4,-2.8 -5,-0.2 -1,-0.3 0.797 101.1 56.8 -79.2 -35.0 30.2 17.9 15.0 136 136 A E H S+ 0 0 63 -4,-1.4 5,-2.3 1,-0.2 4,-0.7 0.819 110.2 52.0 -56.4 -42.0 26.3 15.3 17.5 138 138 A A H ><5S+ 0 0 18 -4,-1.1 3,-1.7 -5,-0.3 -1,-0.2 0.964 108.5 51.1 -61.4 -53.6 27.1 14.4 14.0 139 139 A R H 3<5S+ 0 0 170 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.939 103.9 55.5 -49.1 -58.9 29.7 11.8 15.2 140 140 A R H 3<5S- 0 0 185 -4,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.758 124.1-112.8 -46.9 -22.0 27.2 10.3 17.6 141 141 A G T <<5 + 0 0 55 -3,-1.7 -3,-0.2 -4,-0.7 -2,-0.2 0.890 52.0 174.3 86.0 44.7 25.2 9.9 14.4 142 142 A E < - 0 0 63 -5,-2.3 2,-0.3 -4,-0.1 -1,-0.2 -0.731 39.4-109.0 -83.7 128.4 22.4 12.4 15.2 143 143 A P + 0 0 95 0, 0.0 2,-0.3 0, 0.0 38,-0.1 -0.473 57.9 146.6 -65.2 124.7 20.2 12.8 12.2 144 144 A H - 0 0 35 -2,-0.3 2,-0.3 37,-0.1 -38,-0.2 -0.846 39.1-126.5-146.8 175.7 20.6 16.2 10.7 145 145 A V E -E 105 0D 21 -40,-1.6 -40,-1.1 -2,-0.3 2,-0.6 -0.751 22.0-121.9-121.0 164.6 20.5 18.1 7.4 146 146 A I E -EF 104 179D 11 33,-2.0 32,-3.4 -2,-0.3 33,-1.4 -0.982 36.2-170.9-112.2 113.3 23.2 20.3 5.8 147 147 A R E -EF 103 177D 18 -44,-3.1 -44,-1.6 -2,-0.6 2,-0.4 -0.636 28.4 -95.7-105.1 169.4 21.8 23.8 5.1 148 148 A L E -E 102 0D 0 28,-1.4 2,-1.3 -46,-0.2 -46,-0.3 -0.704 25.0-145.6 -89.4 128.9 23.0 26.8 3.2 149 149 A K - 0 0 70 -48,-4.2 -47,-0.1 -2,-0.4 -1,-0.1 -0.466 24.8-168.0 -95.0 64.9 24.7 29.4 5.4 150 150 A V - 0 0 0 -2,-1.3 2,-1.3 1,-0.1 25,-0.1 -0.317 32.6-112.6 -56.0 128.2 23.5 32.4 3.4 151 151 A P > - 0 0 52 0, 0.0 3,-0.9 0, 0.0 19,-0.1 -0.635 39.3-164.5 -65.6 92.8 25.3 35.6 4.4 152 152 A R T 3 S+ 0 0 50 -2,-1.3 21,-0.1 1,-0.3 18,-0.1 0.684 76.2 54.1 -56.7 -40.6 22.1 37.0 5.9 153 153 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.018 102.9 71.5 -88.4 27.9 23.0 40.7 6.1 154 154 A G S < S- 0 0 31 -3,-0.9 16,-1.6 2,-0.0 2,-0.3 -0.436 73.5-102.1-126.6-163.1 24.0 41.1 2.4 155 155 A T E -H 169 0E 90 14,-0.2 2,-0.4 -2,-0.1 14,-0.2 -0.958 17.0-154.3-130.8 148.9 22.8 41.2 -1.3 156 156 A T E -H 168 0E 1 12,-3.7 12,-3.2 -2,-0.3 2,-0.5 -0.984 3.9-166.6-132.5 126.5 22.6 38.9 -4.3 157 157 A E E -H 167 0E 120 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.948 7.9-176.2-112.6 120.1 22.5 39.7 -8.0 158 158 A V E -H 166 0E 9 8,-2.3 8,-2.4 -2,-0.5 2,-0.4 -0.901 9.9-153.8-118.0 141.2 21.5 37.1 -10.6 159 159 A K E -H 165 0E 103 -2,-0.4 2,-0.5 6,-0.3 71,-0.5 -0.952 2.4-163.6-117.2 133.3 21.5 37.5 -14.4 160 160 A D E > -H 164 0E 5 4,-1.5 4,-2.7 -2,-0.4 71,-0.2 -0.950 22.6-135.6-113.5 128.1 19.4 35.5 -16.8 161 161 A E T 4 S+ 0 0 69 69,-3.1 70,-0.2 -2,-0.5 -1,-0.1 0.648 103.9 31.5 -60.0 -18.1 20.6 35.7 -20.4 162 162 A L T 4 S+ 0 0 30 68,-0.3 -1,-0.2 2,-0.2 69,-0.1 0.691 128.4 34.7-112.5 -21.6 17.0 36.3 -21.6 163 163 A R T 4 S- 0 0 77 1,-0.3 -2,-0.2 3,-0.0 68,-0.1 0.455 101.1-131.7-112.0 -2.0 15.4 38.1 -18.8 164 164 A G E < -H 160 0E 26 -4,-2.7 -4,-1.5 2,-0.0 -1,-0.3 -0.175 42.8 -28.7 83.2-178.5 18.2 40.2 -17.5 165 165 A V E -H 159 0E 81 -6,-0.3 2,-0.3 -4,-0.1 -6,-0.3 -0.447 50.0-167.2 -73.3 148.5 19.6 40.9 -14.1 166 166 A V E -H 158 0E 67 -8,-2.4 -8,-2.3 -2,-0.1 2,-0.4 -0.979 14.2-137.0-136.1 141.4 17.6 40.8 -10.8 167 167 A V E -H 157 0E 83 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.849 20.0-164.8-104.1 133.5 18.7 42.0 -7.4 168 168 A Y E -H 156 0E 33 -12,-3.2 -12,-3.7 -2,-0.4 2,-0.5 -0.951 20.5-139.4-120.1 136.6 18.0 40.0 -4.3 169 169 A D E > -H 155 0E 82 -2,-0.4 3,-1.5 -14,-0.2 4,-0.4 -0.813 29.3-128.4 -84.2 130.6 18.0 40.8 -0.6 170 170 A N T 3 S+ 0 0 5 -16,-1.6 3,-0.2 -2,-0.5 -15,-0.1 0.545 106.8 70.5 -57.3 -12.6 19.6 37.7 1.0 171 171 A Q T 3 S+ 0 0 111 -17,-0.3 -1,-0.3 1,-0.2 -16,-0.1 0.880 91.8 57.4 -73.8 -36.0 16.6 37.6 3.4 172 172 A E S < S+ 0 0 120 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.762 98.4 74.8 -61.5 -23.1 14.6 36.6 0.4 173 173 A I S S- 0 0 4 -4,-0.4 2,-0.2 -3,-0.2 39,-0.0 -0.837 78.4-143.6 -99.6 129.1 16.9 33.6 0.0 174 174 A P - 0 0 66 0, 0.0 2,-1.6 0, 0.0 -26,-0.1 -0.549 24.3-104.0 -98.9 156.6 16.6 30.8 2.5 175 175 A D - 0 0 9 -53,-0.3 2,-0.2 -2,-0.2 -51,-0.1 -0.662 54.5-168.0 -73.6 86.1 18.9 28.4 4.4 176 176 A V - 0 0 22 -2,-1.6 -28,-1.4 1,-0.1 2,-0.1 -0.498 25.0-103.9 -82.1 148.2 18.0 25.4 2.1 177 177 A V E +F 147 0D 35 -30,-0.2 -30,-0.3 -2,-0.2 11,-0.2 -0.399 34.0 177.1 -71.2 150.2 18.9 21.8 2.8 178 178 A L E S+ 0 0 0 -32,-3.4 8,-0.9 1,-0.4 2,-0.4 0.522 75.2 27.8-115.5 -36.6 21.8 20.6 0.7 179 179 A L E S-FG 146 185D 16 -33,-1.4 -33,-2.0 6,-0.2 -1,-0.4 -0.995 74.3-147.6-135.2 133.4 21.9 17.2 2.3 180 180 A K > - 0 0 86 4,-1.2 3,-1.5 -2,-0.4 -36,-0.1 -0.383 40.0 -94.1 -90.9 169.8 19.1 15.3 3.9 181 181 A S T 3 S+ 0 0 85 1,-0.3 -37,-0.1 2,-0.1 -1,-0.1 0.895 131.4 50.5 -54.8 -40.8 19.5 12.9 6.8 182 182 A D T 3 S- 0 0 102 2,-0.1 -1,-0.3 -39,-0.1 -37,-0.1 0.488 121.7-117.4 -75.9 -5.8 19.9 10.0 4.4 183 183 A G < + 0 0 25 -3,-1.5 -2,-0.1 1,-0.2 -94,-0.1 0.995 62.1 146.3 64.3 73.4 22.4 12.2 2.7 184 184 A Y - 0 0 55 -95,-0.1 -4,-1.2 -94,-0.0 -1,-0.2 -0.988 49.6-113.7-133.4 129.7 20.9 12.7 -0.7 185 185 A P B -G 179 0D 11 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.260 20.6-130.9 -60.0 154.1 21.5 16.1 -2.4 186 186 A T >> - 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0 0 63 -3,-0.1 4,-1.9 1,-0.1 3,-1.6 -0.787 27.2-102.8 -94.9 149.5 9.6 12.3 -51.7 324 324 A L H 3> S+ 0 0 32 -2,-0.3 4,-1.2 1,-0.3 28,-0.1 0.439 121.9 51.6 -42.5 -26.1 7.2 9.5 -52.5 325 325 A E H 34 S+ 0 0 101 2,-0.2 4,-0.5 3,-0.1 -1,-0.3 0.761 110.0 49.6 -88.4 -34.5 9.8 6.8 -52.0 326 326 A E H X> S+ 0 0 76 -3,-1.6 4,-1.8 2,-0.2 3,-1.4 0.974 115.5 41.5 -70.0 -48.2 10.6 8.1 -48.6 327 327 A V H >X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.3 3,-0.7 0.971 111.0 57.4 -58.2 -53.7 7.0 8.3 -47.4 328 328 A A H 3< S+ 0 0 0 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.558 108.3 48.4 -52.9 -16.8 6.2 5.0 -49.0 329 329 A E H X4 S+ 0 0 93 -3,-1.4 3,-0.5 -4,-0.5 -1,-0.3 0.744 109.0 51.0 -95.8 -34.4 9.0 3.5 -46.9 330 330 A R H << S+ 0 0 51 -4,-1.8 4,-0.4 -3,-0.7 -2,-0.2 0.648 104.0 58.3 -77.3 -16.6 7.8 5.1 -43.6 331 331 A V T 3X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.620 86.1 83.2 -84.9 -14.9 4.3 3.8 -44.0 332 332 A K H <> S+ 0 0 10 -3,-0.5 4,-2.3 -5,-0.3 3,-0.3 0.893 84.8 52.6 -54.1 -54.4 5.4 0.3 -44.2 333 333 A P H > S+ 0 0 61 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.888 110.8 49.3 -53.4 -41.5 5.7 -0.4 -40.4 334 334 A F H > S+ 0 0 25 -4,-0.4 4,-0.6 2,-0.2 -2,-0.2 0.797 108.3 52.7 -70.3 -30.4 2.1 0.9 -40.0 335 335 A L H ><>S+ 0 0 0 -4,-1.6 3,-2.7 -3,-0.3 5,-2.0 0.995 112.4 44.9 -64.8 -59.5 0.8 -1.4 -42.8 336 336 A R H ><5S+ 0 0 151 -4,-2.3 3,-3.4 1,-0.3 -2,-0.2 0.955 111.5 53.7 -40.1 -60.7 2.4 -4.4 -41.2 337 337 A E H 3<5S+ 0 0 125 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.662 108.8 48.9 -52.9 -20.7 1.1 -3.3 -37.9 338 338 A A T <<5S- 0 0 35 -3,-2.7 -1,-0.3 -4,-0.6 -2,-0.2 0.296 122.6-106.3-105.3 4.9 -2.5 -3.1 -39.4 339 339 A G T < 5S+ 0 0 63 -3,-3.4 -3,-0.2 -4,-0.4 2,-0.2 0.817 77.6 131.1 73.8 36.4 -2.1 -6.6 -40.8 340 340 A L < + 0 0 14 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.468 30.7 176.6-111.6 177.9 -1.7 -5.3 -44.4 341 341 A S - 0 0 74 32,-0.2 2,-0.3 -2,-0.2 -9,-0.0 -0.920 21.6-129.2-172.8 163.8 0.7 -5.9 -47.3 342 342 A W - 0 0 51 -2,-0.3 31,-0.1 1,-0.0 3,-0.1 -0.930 16.3-132.5-128.2 142.9 1.1 -4.8 -50.9 343 343 A E S S+ 0 0 123 -2,-0.3 2,-0.3 1,-0.1 3,-0.0 0.460 89.1 1.3 -76.7 -5.0 1.6 -7.1 -54.0 344 344 A S S > S- 0 0 52 1,-0.0 4,-1.7 0, 0.0 -1,-0.1 -0.922 71.7-112.6-174.1 154.8 4.5 -5.0 -55.3 345 345 A E H > S+ 0 0 84 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.696 115.4 63.6 -68.8 -22.7 6.4 -1.9 -54.3 346 346 A A H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.965 103.0 45.7 -65.1 -54.3 4.9 -0.3 -57.4 347 347 A Y H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.931 108.4 56.6 -54.6 -52.8 1.4 -0.6 -56.0 348 348 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.3 -1,-0.2 0.871 110.8 44.9 -48.2 -45.8 2.4 0.6 -52.6 349 349 A R H X S+ 0 0 60 -4,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.800 112.1 50.6 -73.1 -30.4 3.8 3.8 -54.3 350 350 A R H X S+ 0 0 77 -4,-1.8 4,-0.7 -3,-0.3 -2,-0.2 0.686 112.3 48.1 -79.4 -22.7 0.7 4.3 -56.4 351 351 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 3,-0.2 0.871 111.5 48.6 -80.1 -44.5 -1.5 3.9 -53.3 352 352 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.895 112.0 50.9 -63.2 -42.1 0.6 6.4 -51.2 353 353 A E H < S+ 0 0 82 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.763 111.5 44.7 -70.1 -29.8 0.5 9.0 -54.1 354 354 A L H < S+ 0 0 13 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.724 121.1 42.3 -83.2 -30.7 -3.3 8.9 -54.6 355 355 A M H >< S+ 0 0 1 -4,-1.5 3,-3.1 1,-0.1 4,-0.3 0.610 84.7 96.2 -88.7 -24.1 -3.7 9.0 -50.9 356 356 A R G >< S+ 0 0 44 -4,-1.9 3,-1.2 1,-0.3 -1,-0.1 0.838 81.7 55.6 -33.6 -54.3 -1.1 11.7 -50.0 357 357 A P G 3 S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.746 107.1 53.3 -55.3 -28.3 -3.6 14.5 -50.0 358 358 A R G < S+ 0 0 71 -3,-3.1 2,-0.3 -4,-0.0 -2,-0.2 0.214 97.8 57.0 -99.1 11.3 -5.8 12.6 -47.4 359 359 A F < - 0 0 0 -3,-1.2 3,-0.1 -4,-0.3 -41,-0.1 -0.991 42.4-174.4-147.2 134.9 -3.6 11.7 -44.4 360 360 A D S S+ 0 0 34 -2,-0.3 2,-0.3 1,-0.1 -43,-0.1 0.372 76.2 47.5-106.1 -1.8 -1.5 13.9 -42.0 361 361 A T S >> S- 0 0 7 -100,-0.1 3,-1.7 -46,-0.1 4,-0.5 -0.996 81.3-122.4-139.9 141.2 0.1 11.0 -40.0 362 362 A L G >4 S+ 0 0 9 -102,-2.5 3,-0.8 -2,-0.3 -102,-0.2 0.782 112.3 60.0 -53.2 -28.1 1.8 7.8 -41.1 363 363 A K G 34 S+ 0 0 54 -104,-0.9 4,-0.5 1,-0.2 -1,-0.3 0.720 93.2 61.5 -72.6 -29.2 -0.8 5.9 -39.0 364 364 A E G <> S+ 0 0 39 -3,-1.7 4,-3.0 -105,-0.2 5,-0.2 0.566 88.6 79.1 -73.4 -13.8 -3.9 7.2 -40.8 365 365 A F H 4 S+ 0 0 124 -4,-0.5 3,-1.0 2,-0.1 -2,-0.2 0.991 117.6 31.4 -76.2 -58.7 -6.9 3.3 -41.9 368 368 A K H 3< S+ 0 0 101 -4,-3.0 3,-0.3 1,-0.2 -3,-0.2 0.823 125.7 42.4 -65.8 -42.9 -7.9 5.5 -45.0 369 369 A A T >< S+ 0 0 0 -4,-2.9 3,-1.1 -5,-0.2 4,-0.4 -0.035 78.5 121.8 -95.0 31.0 -6.4 3.4 -47.7 370 370 A R G X> + 0 0 76 -3,-1.0 3,-2.9 1,-0.3 4,-0.6 0.950 66.5 57.0 -56.7 -62.3 -7.5 0.1 -46.2 371 371 A Y G 34 S+ 0 0 13 1,-0.3 -1,-0.3 68,-0.3 -2,-0.1 0.558 97.0 66.2 -46.4 -17.9 -9.6 -1.1 -49.2 372 372 A L G <4 S+ 0 0 0 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.655 109.7 33.8 -83.1 -13.9 -6.5 -0.9 -51.3 373 373 A F T <4 S+ 0 0 13 -3,-2.9 2,-0.3 -4,-0.4 -32,-0.2 0.458 119.2 35.9-119.3 -5.2 -4.7 -3.7 -49.5 374 374 A T < - 0 0 23 -4,-0.6 -1,-0.2 -34,-0.1 3,-0.1 -0.984 60.7-138.0-147.9 150.3 -7.3 -6.1 -48.4 375 375 A E S S+ 0 0 31 -2,-0.3 2,-0.7 1,-0.2 -4,-0.1 0.534 97.1 74.1 -84.3 -4.9 -10.6 -7.5 -49.8 376 376 A D + 0 0 127 -6,-0.1 -1,-0.2 2,-0.0 -3,-0.0 -0.806 63.8 139.5-113.1 85.9 -11.9 -7.1 -46.3 377 377 A Y - 0 0 24 -2,-0.7 2,-0.2 -6,-0.1 63,-0.1 -0.849 54.0 -91.2-121.6 159.4 -12.6 -3.4 -45.6 378 378 A P - 0 0 96 0, 0.0 2,-0.6 0, 0.0 -7,-0.1 -0.488 26.7-145.2 -77.9 140.6 -15.4 -1.7 -43.8 379 379 A V - 0 0 62 -2,-0.2 62,-0.2 4,-0.0 61,-0.1 -0.881 18.9-133.9-107.2 115.8 -18.6 -0.4 -45.6 380 380 A S > - 0 0 51 60,-2.3 4,-1.7 -2,-0.6 5,-0.1 -0.144 22.5-115.5 -58.2 165.3 -20.0 2.8 -44.0 381 381 A E H > S+ 0 0 132 2,-0.2 4,-2.5 1,-0.2 -1,-0.1 0.792 117.9 52.5 -72.9 -33.3 -23.8 2.7 -43.5 382 382 A K H > S+ 0 0 160 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.868 107.3 51.2 -72.3 -39.7 -24.1 5.5 -46.0 383 383 A A H > S+ 0 0 0 57,-0.3 4,-3.6 58,-0.3 -2,-0.2 0.937 113.6 45.2 -58.2 -51.8 -22.1 3.6 -48.7 384 384 A Q H X S+ 0 0 102 -4,-1.7 4,-1.4 2,-0.3 -2,-0.2 0.950 110.2 53.2 -57.1 -56.4 -24.3 0.5 -48.2 385 385 A R H >X S+ 0 0 139 -4,-2.5 4,-1.4 1,-0.2 3,-0.9 0.929 115.2 43.2 -43.9 -53.9 -27.5 2.7 -48.2 386 386 A K H 3X S+ 0 0 66 -4,-2.5 4,-1.7 1,-0.3 -2,-0.3 0.869 104.5 61.0 -62.6 -46.1 -26.2 4.0 -51.5 387 387 A L H 3< S+ 0 0 10 -4,-3.6 -1,-0.3 1,-0.2 -2,-0.2 0.731 107.3 49.8 -56.4 -21.2 -25.1 0.6 -52.9 388 388 A E H X< S+ 0 0 141 -4,-1.4 3,-0.9 -3,-0.9 -1,-0.2 0.863 104.9 53.1 -85.7 -43.6 -28.8 -0.4 -52.6 389 389 A E H 3< S+ 0 0 148 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.1 0.790 121.4 35.1 -63.6 -25.4 -30.2 2.6 -54.4 390 390 A G T 3X S+ 0 0 4 -4,-1.7 4,-1.3 1,-0.1 3,-0.5 0.295 85.2 109.0-109.2 7.3 -27.8 1.8 -57.3 391 391 A L H <> S+ 0 0 42 -3,-0.9 4,-1.1 1,-0.2 3,-0.4 0.865 75.9 53.4 -54.5 -47.2 -27.9 -2.0 -57.0 392 392 A P H > S+ 0 0 86 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.845 107.2 54.5 -56.6 -37.4 -29.9 -2.6 -60.2 393 393 A L H > S+ 0 0 24 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.854 106.9 46.8 -66.5 -40.2 -27.4 -0.5 -62.2 394 394 A L H X S+ 0 0 1 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.2 0.702 108.4 59.5 -72.6 -25.0 -24.2 -2.4 -61.1 395 395 A K H < S+ 0 0 121 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.961 111.2 38.8 -64.8 -51.3 -26.2 -5.5 -62.0 396 396 A E H < S+ 0 0 86 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.816 118.0 51.9 -66.1 -38.8 -26.6 -4.2 -65.5 397 397 A L H >X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 3,-0.5 0.746 88.2 77.8 -73.0 -33.8 -23.0 -2.9 -65.5 398 398 A Y H 3X S+ 0 0 37 -4,-2.2 4,-3.7 1,-0.2 5,-0.2 0.880 91.0 53.4 -48.3 -45.7 -21.2 -6.1 -64.4 399 399 A P H 3> S+ 0 0 58 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.910 107.3 51.7 -59.9 -39.9 -21.3 -7.8 -67.8 400 400 A R H <> S+ 0 0 90 -3,-0.5 4,-1.6 -4,-0.5 -2,-0.2 0.932 113.9 43.8 -63.0 -44.7 -19.7 -4.7 -69.5 401 401 A L H < S+ 0 0 1 -4,-1.8 3,-0.2 2,-0.2 -1,-0.2 0.930 108.9 57.5 -63.8 -48.6 -16.8 -4.7 -66.9 402 402 A R H < S+ 0 0 141 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.858 110.7 44.8 -51.6 -37.3 -16.5 -8.5 -67.2 403 403 A A H < S+ 0 0 72 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.817 89.6 107.5 -77.1 -30.8 -16.0 -7.8 -71.0 404 404 A Q < + 0 0 48 -4,-1.6 3,-0.1 -3,-0.2 -3,-0.0 -0.181 35.7 169.7 -54.3 134.4 -13.5 -5.0 -70.5 405 405 A E + 0 0 172 1,-0.2 2,-1.1 51,-0.0 51,-0.1 0.759 63.4 65.9-110.1 -59.9 -9.8 -5.8 -71.3 406 406 A E - 0 0 111 1,-0.1 2,-1.3 5,-0.0 -1,-0.2 -0.592 66.8-170.2 -73.2 97.6 -8.0 -2.5 -71.2 407 407 A W + 0 0 37 -2,-1.1 2,-0.3 -3,-0.1 -1,-0.1 -0.721 35.5 132.2 -98.9 78.1 -8.3 -1.6 -67.5 408 408 A T S > S- 0 0 46 -2,-1.3 4,-2.5 1,-0.1 5,-0.2 -0.858 70.3-116.2-122.0 157.5 -7.0 1.9 -67.8 409 409 A E H > S+ 0 0 76 -2,-0.3 4,-3.5 1,-0.2 5,-0.2 0.928 117.8 55.4 -60.9 -43.0 -8.7 5.0 -66.3 410 410 A A H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 112.6 38.7 -49.4 -59.4 -9.1 6.2 -69.9 411 411 A A H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.890 117.4 51.4 -57.4 -52.2 -11.0 3.1 -71.0 412 412 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.864 109.6 49.2 -56.6 -46.3 -12.9 2.8 -67.8 413 413 A E H X S+ 0 0 74 -4,-3.5 4,-2.9 -5,-0.2 5,-0.2 0.958 111.2 48.5 -62.4 -52.1 -14.0 6.3 -67.9 414 414 A A H X S+ 0 0 50 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.884 111.9 51.5 -56.5 -40.8 -15.3 6.1 -71.5 415 415 A L H X S+ 0 0 26 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.890 112.1 43.8 -60.1 -49.2 -17.1 2.9 -70.6 416 416 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.869 112.1 53.2 -65.9 -40.1 -18.9 4.3 -67.6 417 417 A R H X S+ 0 0 118 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.833 109.9 51.0 -64.4 -33.7 -19.7 7.5 -69.5 418 418 A G H X S+ 0 0 33 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.989 110.9 46.2 -62.0 -64.5 -21.2 5.2 -72.2 419 419 A F H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.3 -2,-0.2 0.807 113.3 47.2 -50.7 -44.5 -23.4 3.2 -69.7 420 420 A A H >X>S+ 0 0 5 -4,-2.5 3,-1.3 1,-0.2 5,-1.2 0.990 116.2 47.9 -58.4 -55.6 -24.7 6.4 -67.9 421 421 A A H 3<5S+ 0 0 83 -4,-2.1 3,-0.4 1,-0.3 -2,-0.3 0.807 113.2 47.2 -51.2 -38.3 -25.4 7.7 -71.4 422 422 A E H 3<5S+ 0 0 113 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.612 112.9 49.2 -81.0 -17.3 -27.0 4.5 -72.5 423 423 A K H <<5S- 0 0 48 -3,-1.3 -1,-0.2 -4,-1.2 -2,-0.2 0.351 108.9-111.8-105.6 0.2 -29.2 4.2 -69.4 424 424 A G T <5S+ 0 0 74 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.2 0.967 81.1 116.9 60.3 59.3 -30.8 7.7 -69.2 425 425 A V < - 0 0 35 -5,-1.2 -1,-0.2 -6,-0.1 -2,-0.2 -0.967 69.5-113.1-156.4 137.0 -28.8 8.4 -66.0 426 426 A K > - 0 0 155 -2,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.434 40.7-105.8 -71.2 146.0 -26.1 11.0 -65.1 427 427 A L T >> S+ 0 0 46 1,-0.3 4,-3.4 2,-0.2 3,-1.7 0.782 114.5 70.5 -44.7 -36.1 -22.6 9.4 -64.4 428 428 A G H 3> S+ 0 0 24 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.752 90.3 55.8 -54.4 -36.5 -23.1 10.1 -60.7 429 429 A Q H <4 S+ 0 0 103 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.435 118.1 37.0 -75.6 -5.4 -25.9 7.4 -60.2 430 430 A V H <> S+ 0 0 2 -3,-1.7 4,-1.9 -4,-0.3 -2,-0.2 0.648 116.8 55.3-110.6 -40.6 -23.4 4.9 -61.6 431 431 A A H X S+ 0 0 6 -4,-3.4 4,-2.4 2,-0.2 -2,-0.2 0.913 106.6 44.1 -61.5 -55.9 -20.4 6.6 -59.9 432 432 A Q H X S+ 0 0 41 -4,-2.8 4,-3.5 2,-0.2 5,-0.2 0.979 114.9 46.5 -62.2 -58.5 -21.5 6.6 -56.2 433 433 A P H > S+ 0 0 3 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.934 114.5 49.2 -47.3 -52.4 -22.8 3.0 -56.1 434 434 A L H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.932 113.5 46.2 -52.0 -48.6 -19.7 1.8 -57.9 435 435 A R H >X S+ 0 0 34 -4,-2.4 4,-2.5 2,-0.2 3,-0.5 0.943 113.0 50.0 -58.3 -48.9 -17.5 3.7 -55.5 436 436 A A H 3X S+ 0 0 1 -4,-3.5 4,-1.5 1,-0.3 -2,-0.2 0.909 113.0 47.5 -53.9 -50.9 -19.6 2.4 -52.5 437 437 A A H 3< S+ 0 0 6 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.700 117.4 42.1 -64.8 -26.5 -19.2 -1.2 -54.0 438 438 A L H << S+ 0 0 4 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.867 130.1 14.4 -89.7 -48.6 -15.4 -0.8 -54.5 439 439 A T H < S- 0 0 2 -4,-2.5 -68,-0.3 -5,-0.2 -3,-0.2 0.335 86.0-129.8-112.5 -3.6 -13.9 0.9 -51.5 440 440 A G S < S+ 0 0 1 -4,-1.5 -60,-2.3 -5,-0.5 -57,-0.3 0.291 86.5 92.9 65.7 -3.0 -16.8 0.7 -49.0 441 441 A S - 0 0 42 -6,-0.4 -58,-0.3 -62,-0.2 -5,-0.2 0.961 65.5-156.6 -83.1 -69.5 -16.3 4.4 -48.5 442 442 A L S S+ 0 0 39 -10,-0.1 2,-0.4 -7,-0.1 -6,-0.1 0.216 83.5 67.9 96.5 -9.0 -18.4 6.8 -50.6 443 443 A E S S+ 0 0 130 -8,-0.1 -60,-0.0 -4,-0.1 -2,-0.0 -0.959 73.2 125.3-138.2 117.5 -15.8 9.6 -50.1 444 444 A T - 0 0 10 -2,-0.4 3,-0.2 -3,-0.1 2,-0.1 -0.962 56.3 -78.1-166.4 173.0 -12.5 8.7 -51.9 445 445 A P S S- 0 0 8 0, 0.0 5,-0.2 0, 0.0 -90,-0.1 -0.278 88.5 -24.3 -80.0 168.3 -9.9 9.8 -54.4 446 446 A G > - 0 0 35 1,-0.2 4,-2.3 -92,-0.1 3,-0.2 0.244 59.7-146.1 -16.5 109.1 -10.2 9.7 -58.2 447 447 A L H > S+ 0 0 14 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.635 97.5 47.0 -55.6 -29.8 -12.8 7.0 -58.9 448 448 A F H > S+ 0 0 37 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.749 111.3 49.9 -88.2 -32.8 -11.1 5.9 -62.1 449 449 A E H > S+ 0 0 64 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.851 112.7 50.2 -69.6 -37.5 -7.7 5.8 -60.5 450 450 A I H X S+ 0 0 0 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.774 113.5 43.7 -72.3 -28.9 -9.4 3.7 -57.8 451 451 A L H X S+ 0 0 1 -4,-0.6 4,-0.6 -5,-0.2 8,-0.2 0.839 117.8 45.0 -83.1 -41.4 -11.0 1.3 -60.3 452 452 A A H >< S+ 0 0 12 -4,-2.0 3,-2.0 2,-0.1 -2,-0.2 1.000 105.5 60.9 -63.4 -68.1 -7.8 1.0 -62.4 453 453 A L H 3< S+ 0 0 31 -4,-2.1 -3,-0.1 1,-0.3 -2,-0.1 0.714 103.3 45.9 -28.7 -67.6 -5.3 0.6 -59.5 454 454 A L H 3< S- 0 0 7 -4,-0.7 -1,-0.3 -5,-0.2 4,-0.2 0.782 108.8-133.8 -50.2 -37.6 -6.7 -2.6 -57.9 455 455 A G XX - 0 0 24 -3,-2.0 4,-1.9 -4,-0.6 3,-1.4 0.123 29.2 -61.5 91.0 159.4 -7.0 -4.2 -61.4 456 456 A K H 3> S+ 0 0 58 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.814 126.2 45.7 -34.0 -67.7 -9.8 -6.2 -63.0 457 457 A E H 3> S+ 0 0 113 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.698 111.2 52.1 -65.1 -17.8 -10.2 -9.2 -60.8 458 458 A R H <> S+ 0 0 44 -3,-1.4 4,-2.6 -4,-0.2 -1,-0.2 0.947 115.5 43.3 -78.9 -44.6 -10.1 -7.3 -57.5 459 459 A A H X S+ 0 0 2 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.875 117.5 44.3 -58.2 -51.7 -12.8 -5.1 -58.9 460 460 A L H >X S+ 0 0 6 -4,-3.1 4,-2.0 2,-0.2 3,-0.6 0.954 113.6 49.1 -62.0 -57.0 -14.9 -7.9 -60.4 461 461 A R H 3X S+ 0 0 110 -4,-1.5 4,-2.0 1,-0.3 -2,-0.2 0.884 115.5 44.9 -52.2 -45.9 -14.5 -10.1 -57.4 462 462 A R H 3X S+ 0 0 1 -4,-2.6 4,-1.1 1,-0.2 -1,-0.3 0.703 109.5 58.4 -71.6 -24.1 -15.6 -7.2 -55.1 463 463 A L H X S+ 0 0 63 -4,-2.0 3,-1.6 -3,-0.2 4,-1.1 0.943 103.8 63.3 -70.6 -54.1 -20.0 -9.7 -57.3 465 465 A R H 3< S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.817 109.7 43.0 -36.3 -48.7 -19.7 -9.9 -53.5 466 466 A A H 3< S+ 0 0 29 -4,-1.1 -1,-0.3 -29,-0.1 -2,-0.2 0.676 127.4 28.3 -71.2 -31.1 -22.0 -6.8 -53.5 467 467 A L H << 0 0 22 -3,-1.6 -2,-0.2 -4,-0.7 -3,-0.2 0.861 360.0 360.0 -92.5 -67.9 -24.5 -8.1 -56.1 468 468 A A < 0 0 129 -4,-1.1 -1,-0.2 -5,-0.1 -4,-0.0 -0.439 360.0 360.0 -59.1 360.0 -24.3 -11.8 -55.7