==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-JUN-09 3HXY . COMPND 2 MOLECULE: ALANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.GUO,X.-L.YANG,P.SCHIMMEL . 442 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0.5 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 . 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 . 26 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 0 2 3 0 0 1 2 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 3 2 1 0 0 1 0 2 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 0 0 0 0 0 0 0 0 1 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 S 0 0 122 0, 0.0 2,-0.3 0, 0.0 247,-0.1 0.000 360.0 360.0 360.0-147.6 15.2 31.3 -3.7 2 2 A K - 0 0 96 245,-0.3 2,-0.1 242,-0.1 245,-0.0 -0.654 360.0-131.2 -84.8 137.9 12.4 28.8 -3.5 3 3 A S > - 0 0 36 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.368 29.2-105.0 -76.8 164.3 11.1 27.6 -0.1 4 4 A T H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 123.2 52.7 -56.9 -41.3 10.7 23.9 0.6 5 5 A A H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.855 108.7 49.5 -63.8 -37.2 6.9 24.3 0.3 6 6 A E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.836 111.0 49.8 -70.5 -33.4 7.3 26.0 -3.1 7 7 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.884 110.2 50.3 -71.8 -39.7 9.6 23.1 -4.3 8 8 A R H X S+ 0 0 8 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.916 115.0 43.3 -62.0 -44.8 7.1 20.5 -3.1 9 9 A Q H X S+ 0 0 83 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.869 109.7 56.3 -71.2 -38.2 4.3 22.3 -5.0 10 10 A A H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.890 107.0 50.6 -60.3 -41.1 6.4 22.9 -8.1 11 11 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.937 114.4 43.1 -60.7 -48.9 7.0 19.2 -8.3 12 12 A L H X S+ 0 0 19 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.905 114.6 50.2 -64.8 -43.2 3.3 18.4 -8.0 13 13 A D H X S+ 0 0 76 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.877 106.6 56.9 -62.2 -40.0 2.4 21.2 -10.4 14 14 A F H < S+ 0 0 0 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.959 114.5 35.7 -55.5 -55.2 5.0 19.9 -12.9 15 15 A F H <>S+ 0 0 0 -4,-1.8 5,-2.6 1,-0.2 -1,-0.2 0.793 112.6 59.2 -74.8 -28.5 3.5 16.4 -13.2 16 16 A H H ><5S+ 0 0 112 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.877 105.7 49.9 -64.3 -36.9 -0.1 17.6 -12.8 17 17 A S T 3<5S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.663 104.5 60.7 -73.3 -16.7 0.5 19.7 -15.9 18 18 A K T 3 5S- 0 0 67 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.2 0.028 131.3 -93.2 -97.1 24.2 1.8 16.5 -17.5 19 19 A G T < 5S+ 0 0 53 -3,-1.2 2,-0.3 1,-0.2 41,-0.2 0.607 77.7 148.4 79.4 13.8 -1.6 14.8 -17.0 20 20 A H < - 0 0 3 -5,-2.6 2,-0.4 -8,-0.1 41,-0.3 -0.638 48.5-123.9 -85.4 136.8 -0.7 13.3 -13.6 21 21 A Q E -a 61 0A 93 39,-2.8 41,-2.5 -2,-0.3 2,-0.8 -0.651 23.1-130.9 -75.1 125.2 -3.4 12.7 -11.0 22 22 A V E -a 62 0A 67 -2,-0.4 2,-0.4 39,-0.2 41,-0.2 -0.713 29.9-172.1 -80.2 112.3 -2.4 14.4 -7.7 23 23 A V - 0 0 22 39,-2.0 41,-0.4 -2,-0.8 3,-0.1 -0.890 22.4-116.0-109.7 137.2 -2.9 11.9 -5.0 24 24 A A - 0 0 79 -2,-0.4 41,-0.1 1,-0.1 2,-0.1 -0.287 39.8 -92.3 -66.3 152.5 -2.7 12.6 -1.3 25 25 A S - 0 0 31 39,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.374 41.1-127.2 -62.6 141.2 0.1 11.0 0.8 26 26 A S - 0 0 23 1,-0.2 40,-0.4 16,-0.1 -1,-0.1 -0.368 36.4 -80.8 -81.9 170.3 -0.9 7.8 2.6 27 27 A S - 0 0 32 2,-0.2 -1,-0.2 1,-0.1 4,-0.1 -0.203 29.2-121.3 -67.1 161.0 -0.5 7.2 6.3 28 28 A L S S+ 0 0 0 264,-0.2 11,-2.4 10,-0.1 40,-0.1 0.648 98.9 80.8 -74.8 -16.4 2.8 6.2 7.9 29 29 A V S S- 0 0 35 9,-0.2 -2,-0.2 267,-0.2 9,-0.1 -0.844 88.9-124.8 -94.6 118.3 1.0 3.1 9.1 30 30 A P - 0 0 15 0, 0.0 2,-1.1 0, 0.0 3,-0.4 -0.262 25.4-107.2 -62.7 145.5 0.7 0.5 6.4 31 31 A H S S- 0 0 176 1,-0.2 -2,-0.0 -4,-0.1 0, 0.0 -0.655 85.3 -38.2 -83.0 99.9 -2.7 -0.9 5.6 32 32 A N S S+ 0 0 157 -2,-1.1 -1,-0.2 1,-0.1 -3,-0.0 0.830 109.3 110.9 56.5 41.7 -2.9 -4.3 7.0 33 33 A D + 0 0 47 -3,-0.4 2,-0.4 3,-0.1 -1,-0.1 -0.584 35.9 171.5-138.7 75.3 0.6 -5.4 6.3 34 34 A P + 0 0 81 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.905 64.9 80.7-121.1 122.9 2.9 -5.8 9.3 35 35 A T S S+ 0 0 127 -2,-0.4 -2,-0.1 0, 0.0 -3,-0.0 0.181 89.6 65.8 56.5-130.7 5.6 -7.1 8.2 36 36 A L - 0 0 35 -2,-0.2 -3,-0.1 1,-0.1 3,-0.1 0.084 69.0-159.5 -55.6 133.0 6.4 -3.6 7.2 37 37 A L + 0 0 41 1,-0.2 2,-0.3 34,-0.1 -1,-0.1 0.974 68.4 1.4 -68.1 -50.5 6.8 -1.3 10.2 38 38 A F S S- 0 0 4 33,-0.2 -1,-0.2 30,-0.2 2,-0.2 -0.959 81.4 -90.7-142.3 150.8 6.3 2.0 8.4 39 39 A T + 0 0 5 -11,-2.4 29,-2.5 -2,-0.3 3,-0.1 -0.407 47.3 168.7 -60.1 123.3 5.5 3.5 5.0 40 40 A N + 0 0 7 27,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.482 53.5 36.3-123.5 -4.2 8.9 4.0 3.6 41 41 A A S > S- 0 0 0 25,-0.1 3,-0.7 27,-0.1 4,-0.2 -0.961 72.3-120.6-147.5 159.4 8.3 4.8 -0.0 42 42 A G T 3 S+ 0 0 0 -2,-0.3 3,-0.5 1,-0.2 4,-0.1 0.724 107.9 63.0 -73.4 -22.5 5.7 6.7 -2.2 43 43 A M T > S+ 0 0 0 1,-0.2 3,-2.0 400,-0.1 4,-0.3 0.646 76.5 92.1 -77.9 -15.2 4.8 3.5 -4.2 44 44 A N G X S+ 0 0 22 -3,-0.7 3,-1.2 1,-0.3 4,-0.2 0.853 85.6 47.3 -49.8 -46.0 3.5 1.7 -1.1 45 45 A Q G 3 S+ 0 0 55 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.582 115.0 48.1 -75.1 -8.9 -0.1 2.8 -1.6 46 46 A F G X> S+ 0 0 0 -3,-2.0 4,-1.9 -4,-0.1 3,-1.0 0.254 76.7 114.3-110.5 9.5 0.0 1.9 -5.3 47 47 A K H <> S+ 0 0 53 -3,-1.2 4,-1.5 -4,-0.3 3,-0.2 0.881 78.0 45.3 -47.8 -52.4 1.5 -1.6 -4.7 48 48 A D H 3>>S+ 0 0 75 -4,-0.2 6,-1.9 1,-0.2 5,-1.8 0.696 108.0 58.6 -71.1 -19.8 -1.5 -3.5 -6.0 49 49 A V H <45S+ 0 0 13 -3,-1.0 -1,-0.2 4,-0.2 -2,-0.2 0.875 106.5 47.8 -73.6 -38.9 -1.8 -1.2 -9.0 50 50 A F H <5S+ 0 0 3 -4,-1.9 181,-0.4 1,-0.2 -2,-0.2 0.845 111.8 50.9 -66.0 -34.4 1.8 -2.2 -10.0 51 51 A L H <5S- 0 0 27 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.692 112.3-122.6 -76.2 -20.1 0.9 -5.8 -9.4 52 52 A G T <5S+ 0 0 50 -4,-0.8 -3,-0.2 2,-0.3 -4,-0.1 0.541 85.5 110.9 88.2 8.5 -2.2 -5.4 -11.6 53 53 A L S S+L 74 0B 16 3,-1.2 3,-0.5 -3,-0.2 -1,-0.2 -0.914 97.2 8.2-166.3 159.5 13.4 0.0 11.1 72 72 A G T 3 S+ 0 0 62 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 -0.584 114.4 2.8 105.8-177.2 13.7 -2.7 8.4 73 73 A K T 3 S+ 0 0 103 -2,-0.2 2,-0.7 1,-0.2 -1,-0.3 0.725 137.1 35.1 61.2-119.2 14.6 -2.8 5.4 74 74 A H E < +L 71 0B 41 -3,-0.5 -3,-1.2 -6,-0.1 2,-0.4 -0.920 67.7 165.4 -98.9 117.1 15.5 0.8 5.5 75 75 A N E +L 70 0B 71 -2,-0.7 -5,-0.2 -5,-0.2 3,-0.2 -0.920 8.8 158.9-131.3 116.8 16.9 2.0 8.7 76 76 A D >> + 0 0 19 -7,-2.3 3,-1.3 -2,-0.4 4,-0.9 0.167 40.0 110.8-123.5 9.6 18.5 5.3 8.6 77 77 A L T 34 S+ 0 0 1 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.834 77.3 52.3 -61.1 -38.6 18.3 6.2 12.3 78 78 A E T 34 S+ 0 0 67 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.493 105.3 56.9 -82.2 -2.9 22.1 5.9 13.0 79 79 A N T X> S+ 0 0 56 -3,-1.3 3,-2.4 3,-0.1 4,-2.0 0.667 78.9 109.8 -93.6 -23.0 22.8 8.2 10.1 80 80 A V T 3< S+ 0 0 3 -4,-0.9 7,-0.1 -3,-0.5 202,-0.1 -0.363 90.4 10.8 -59.2 118.9 20.7 11.0 11.5 81 81 A G T 34 S+ 0 0 3 2,-0.5 -1,-0.3 5,-0.4 201,-0.1 0.273 122.7 68.5 95.1 -9.9 23.1 13.8 12.6 82 82 A Y T <4 S+ 0 0 93 -3,-2.4 2,-0.2 4,-0.1 -2,-0.2 0.703 97.1 44.9-109.8 -32.0 26.1 12.2 11.0 83 83 A T S < S- 0 0 26 -4,-2.0 -2,-0.5 3,-0.2 121,-0.1 -0.675 71.8-132.3-109.7 168.5 25.3 12.7 7.3 84 84 A A S S+ 0 0 8 -2,-0.2 169,-3.0 1,-0.1 170,-0.2 0.440 102.2 42.8 -94.7 -1.2 23.9 15.6 5.3 85 85 A R S S+ 0 0 27 167,-0.2 2,-0.5 168,-0.1 -1,-0.1 0.432 88.7 94.4-128.5 -3.6 21.3 13.6 3.5 86 86 A H + 0 0 19 -7,-0.2 -5,-0.4 156,-0.0 2,-0.3 -0.840 37.0 163.2-109.6 132.1 19.6 11.2 5.9 87 87 A H - 0 0 1 -2,-0.5 3,-0.1 1,-0.2 -18,-0.1 -0.842 37.3-140.5-125.5 167.4 16.4 11.6 8.0 88 88 A T S S+ 0 0 0 1,-0.3 -19,-2.4 -2,-0.3 2,-0.5 0.850 101.3 36.8 -84.5 -55.4 14.1 9.3 9.8 89 89 A F E S+B 68 0A 0 196,-0.3 -1,-0.3 -21,-0.2 2,-0.3 -0.850 80.3 147.3 -96.8 128.2 11.0 11.2 8.6 90 90 A F E -B 67 0A 0 -23,-2.2 -23,-3.1 -2,-0.5 2,-0.5 -0.987 44.7-113.6-154.1 158.5 11.2 12.7 5.1 91 91 A E E -B 66 0A 4 -2,-0.3 149,-2.7 -25,-0.2 2,-0.7 -0.854 22.9-152.5 -98.6 125.7 8.9 13.4 2.1 92 92 A M E -BC 65 239A 0 -27,-3.3 -27,-2.0 -2,-0.5 2,-0.5 -0.866 7.1-150.3 -99.4 110.6 9.4 11.4 -1.1 93 93 A L E +BC 64 238A 0 145,-3.5 145,-3.0 -2,-0.7 2,-0.4 -0.693 29.9 175.2 -77.8 122.6 8.4 13.3 -4.2 94 94 A G E -B 63 0A 0 -31,-2.7 -31,-2.0 -2,-0.5 2,-0.4 -0.968 31.4-160.9-137.0 146.9 7.2 10.8 -6.7 95 95 A N E -B 62 0A 2 -2,-0.4 141,-1.7 -33,-0.2 2,-0.4 -0.975 22.0-159.0-118.5 142.8 5.6 10.4 -10.1 96 96 A F E -BD 61 235A 0 -35,-3.6 -35,-2.0 -2,-0.4 2,-0.5 -0.957 12.9-162.1-130.0 138.0 4.0 7.1 -11.1 97 97 A S E -BD 60 234A 0 137,-2.5 137,-1.7 -2,-0.4 2,-0.9 -0.976 3.7-164.6-118.5 119.4 3.1 5.3 -14.3 98 98 A F S S- 0 0 22 -39,-3.3 135,-0.1 -2,-0.5 -42,-0.1 -0.775 81.6 -40.0-103.8 86.2 0.5 2.6 -14.2 99 99 A G S S+ 0 0 31 -2,-0.9 -1,-0.1 132,-0.3 134,-0.1 0.806 123.2 99.1 62.4 34.1 1.0 0.8 -17.6 100 100 A D S S+ 0 0 60 1,-0.4 -1,-0.1 -41,-0.3 -3,-0.1 0.191 78.6 5.5-114.4-123.5 1.4 4.2 -19.2 101 101 A Y - 0 0 12 1,-0.1 -1,-0.4 4,-0.1 -2,-0.1 -0.201 68.3-168.9 -63.1 144.9 4.8 5.8 -20.1 102 102 A F > - 0 0 50 -3,-0.1 4,-2.0 131,-0.1 5,-0.2 -0.046 47.6 -32.4-112.1-138.8 7.9 3.7 -19.6 103 103 A K H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.831 126.0 47.6 -61.4 -45.6 11.6 4.4 -19.6 104 104 A L H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 116.4 41.5 -64.4 -47.5 12.1 7.2 -22.1 105 105 A D H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.854 113.2 54.2 -68.0 -35.5 9.3 9.5 -21.0 106 106 A A H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.898 111.8 45.2 -61.4 -42.5 10.2 8.9 -17.3 107 107 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.878 113.7 49.3 -71.3 -37.0 13.7 9.9 -18.0 108 108 A L H X S+ 0 0 61 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.888 109.2 52.5 -69.0 -40.4 12.7 12.9 -20.0 109 109 A F H X S+ 0 0 23 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.937 111.9 45.5 -57.9 -49.6 10.2 14.1 -17.4 110 110 A A H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.893 114.1 48.0 -63.6 -42.3 12.9 14.0 -14.7 111 111 A W H X S+ 0 0 19 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.866 111.3 50.9 -68.5 -37.3 15.5 15.7 -16.8 112 112 A L H X S+ 0 0 62 -4,-2.4 4,-2.1 2,-0.2 9,-0.3 0.946 111.9 46.3 -64.1 -49.7 13.0 18.5 -17.8 113 113 A L H < S+ 0 0 0 -4,-2.4 7,-2.4 -5,-0.2 8,-0.3 0.901 119.1 41.7 -59.2 -42.9 12.0 19.2 -14.2 114 114 A L H < S+ 0 0 1 -4,-2.1 8,-3.3 -5,-0.2 -2,-0.2 0.907 128.6 22.1 -73.1 -42.3 15.6 19.3 -13.1 115 115 A T H < S+ 0 0 20 -4,-2.6 -3,-0.2 6,-0.3 -2,-0.2 0.595 88.8 112.7-111.2 -15.4 17.4 21.2 -15.9 116 116 A S ><> - 0 0 18 -4,-2.1 3,-1.1 -5,-0.4 5,-1.1 -0.391 63.6-135.1 -69.3 139.9 14.8 23.2 -17.7 117 117 A E T 3 5S+ 0 0 188 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.780 109.7 54.4 -62.2 -32.0 14.9 27.0 -17.5 118 118 A K T 3 5S+ 0 0 175 -6,-0.1 -1,-0.3 2,-0.0 -5,-0.1 0.723 122.0 24.8 -69.2 -31.1 11.2 27.0 -16.9 119 119 A W T < 5S- 0 0 75 -3,-1.1 -5,-0.1 -7,-0.3 -6,-0.1 0.227 130.2 -26.6-106.5-129.0 11.6 24.6 -14.0 120 120 A F T 5 - 0 0 21 -7,-2.4 -6,-0.2 -8,-0.2 -5,-0.2 0.791 67.3-158.0 -66.0 -32.5 14.5 23.8 -11.6 121 121 A A < + 0 0 50 -5,-1.1 -6,-0.3 -9,-0.3 -7,-0.1 0.840 21.0 173.5 63.3 39.4 17.1 24.9 -14.1 122 122 A L - 0 0 18 -8,-3.3 2,-0.2 -9,-0.1 -1,-0.2 -0.554 41.3 -98.5 -78.3 144.1 20.0 23.0 -12.6 123 123 A P > - 0 0 54 0, 0.0 3,-1.3 0, 0.0 4,-0.1 -0.468 24.2-141.8 -63.4 127.1 23.3 22.9 -14.5 124 124 A K G > S+ 0 0 91 1,-0.2 3,-1.7 -2,-0.2 -2,-0.0 0.809 95.1 70.0 -58.5 -31.8 23.5 19.7 -16.5 125 125 A E G 3 S+ 0 0 134 1,-0.3 -1,-0.2 23,-0.0 -3,-0.0 0.759 95.2 51.5 -59.7 -29.9 27.3 19.5 -15.7 126 126 A R G < S+ 0 0 92 -3,-1.3 61,-2.6 60,-0.0 2,-0.5 0.339 91.0 96.3 -94.7 8.3 26.7 18.7 -12.0 127 127 A L E < -E 186 0A 2 -3,-1.7 2,-0.3 59,-0.2 59,-0.2 -0.876 49.2-175.3-107.3 125.9 24.3 15.8 -12.7 128 128 A W E -E 185 0A 25 57,-2.1 57,-3.7 -2,-0.5 2,-0.4 -0.886 8.4-155.6-114.2 146.4 25.4 12.2 -12.7 129 129 A V E -Ef 184 153A 0 23,-2.8 25,-2.7 -2,-0.3 2,-0.4 -0.954 2.9-157.5-125.5 142.9 23.3 9.2 -13.6 130 130 A T E -Ef 183 154A 0 53,-2.4 53,-1.4 -2,-0.4 2,-0.3 -0.920 10.8-174.3-114.1 145.0 23.5 5.5 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243 243 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.823 111.5 56.1 -72.2 -30.3 16.4 18.6 -3.8 244 244 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.878 105.3 51.9 -65.8 -38.6 15.6 21.6 -1.5 245 245 A A H <>S+ 0 0 1 -4,-1.7 5,-3.0 2,-0.2 -2,-0.2 0.924 111.2 47.3 -62.5 -45.6 19.2 21.6 -0.4 246 246 A V H ><5S+ 0 0 3 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.943 114.2 46.0 -58.6 -50.6 20.4 21.7 -4.0 247 247 A L H 3<5S+ 0 0 23 -4,-2.5 -245,-0.3 1,-0.3 -1,-0.2 0.723 112.9 49.7 -70.4 -23.0 17.9 24.4 -5.0 248 248 A Q T 3<5S- 0 0 29 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.218 116.2-114.4 -99.7 13.8 18.8 26.5 -2.0 249 249 A H T < 5S+ 0 0 158 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.873 73.5 122.3 56.6 46.3 22.5 26.2 -2.7 250 250 A V < - 0 0 37 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.965 58.4-142.7-132.6 154.3 23.5 24.2 0.4 251 251 A N S S+ 0 0 42 -2,-0.3 2,-0.3 -63,-0.0 -1,-0.1 0.866 81.1 63.8 -78.1 -39.2 25.1 20.8 0.9 252 252 A S > - 0 0 18 1,-0.1 3,-1.4 -7,-0.1 -167,-0.2 -0.663 69.4-141.1 -98.9 143.6 23.1 19.6 4.0 253 253 A N G > S+ 0 0 2 -169,-3.0 3,-1.2 -2,-0.3 6,-0.4 0.794 105.8 62.4 -60.5 -30.1 19.4 18.9 4.3 254 254 A Y G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -170,-0.2 9,-0.1 0.442 94.4 62.0 -80.8 1.1 19.6 20.5 7.7 255 255 A D G < S+ 0 0 70 -3,-1.4 -1,-0.3 -171,-0.2 -2,-0.2 0.365 80.1 106.7-105.0 1.2 20.6 23.8 6.1 256 256 A I S <> S- 0 0 0 -3,-1.2 4,-2.3 -4,-0.1 3,-0.2 -0.377 89.1-101.6 -74.3 161.2 17.3 24.2 4.2 257 257 A D H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.857 119.7 54.8 -52.4 -42.0 14.8 26.8 5.3 258 258 A L H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.929 113.8 38.5 -59.6 -50.0 12.6 24.1 7.0 259 259 A F H > S+ 0 0 0 -6,-0.4 4,-2.6 -3,-0.2 -1,-0.2 0.755 111.3 59.7 -77.8 -24.6 15.4 22.7 9.2 260 260 A R H X S+ 0 0 135 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.944 111.1 40.8 -63.1 -48.9 16.9 26.1 9.9 261 261 A T H X S+ 0 0 69 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.880 117.1 49.7 -65.9 -39.2 13.6 27.3 11.4 262 262 A L H X S+ 0 0 1 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.891 109.8 49.3 -69.8 -41.2 13.1 24.0 13.2 263 263 A I H X S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.858 108.2 55.2 -65.8 -35.6 16.7 23.9 14.7 264 264 A Q H X S+ 0 0 125 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.858 107.5 50.1 -62.8 -36.5 16.1 27.5 15.9 265 265 A A H X S+ 0 0 14 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.865 109.2 50.9 -70.1 -38.0 13.0 26.3 17.7 266 266 A V H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 6,-0.3 0.908 109.6 50.6 -64.1 -42.9 14.9 23.4 19.3 267 267 A A H X S+ 0 0 21 -4,-2.3 4,-1.6 1,-0.2 5,-0.5 0.810 107.9 54.4 -64.7 -31.0 17.6 25.8 20.5 268 268 A K H < S+ 0 0 178 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 112.9 39.6 -72.5 -38.6 15.0 28.1 22.0 269 269 A V H < S+ 0 0 29 -4,-1.6 58,-0.3 1,-0.2 -2,-0.2 0.652 123.7 39.5 -87.6 -16.7 13.3 25.4 24.2 270 270 A T H < S- 0 0 8 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.648 102.9-124.7-103.1 -21.7 16.6 23.7 25.2 271 271 A G < + 0 0 55 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.611 49.3 165.6 85.0 14.0 18.7 26.8 25.7 272 272 A A - 0 0 17 -5,-0.5 -1,-0.2 -6,-0.3 -2,-0.1 -0.345 25.4-166.7 -64.4 142.5 21.4 25.6 23.2 273 273 A T + 0 0 135 50,-0.1 -1,-0.1 -2,-0.0 2,-0.1 0.544 54.5 101.4-108.8 -13.0 23.8 28.2 22.1 274 274 A D - 0 0 89 1,-0.1 3,-0.2 -7,-0.0 -7,-0.0 -0.421 69.5-136.9 -72.4 148.2 25.4 26.4 19.2 275 275 A L S S- 0 0 160 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.942 86.3 -12.3 -66.4 -48.4 24.4 27.2 15.6 276 276 A S + 0 0 49 -3,-0.0 -1,-0.3 4,-0.0 2,-0.3 -0.962 69.4 151.3-157.5 136.8 24.4 23.5 14.8 277 277 A N > - 0 0 37 -2,-0.3 4,-2.0 -3,-0.2 5,-0.3 -0.905 58.5 -84.0-149.0 179.3 25.5 20.2 16.4 278 278 A K H > S+ 0 0 31 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.937 124.8 48.5 -52.4 -52.7 24.5 16.5 16.4 279 279 A S H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 109.7 50.9 -59.1 -44.9 21.9 17.0 19.1 280 280 A L H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.904 115.6 42.1 -60.5 -43.6 20.2 20.0 17.5 281 281 A R H X S+ 0 0 56 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.858 113.4 52.8 -73.1 -37.2 19.9 18.2 14.2 282 282 A V H X S+ 0 0 4 -4,-2.7 4,-3.0 -5,-0.3 -2,-0.2 0.932 110.9 46.3 -63.0 -47.0 18.8 14.9 15.7 283 283 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.888 110.6 52.9 -64.5 -40.3 16.0 16.5 17.7 284 284 A A H X S+ 0 0 0 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.882 115.4 41.6 -61.6 -39.7 14.8 18.5 14.7 285 285 A D H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 3,-0.5 0.905 113.1 53.7 -70.7 -43.8 14.6 15.3 12.7 286 286 A H H X S+ 0 0 2 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.818 101.0 57.9 -66.4 -34.8 13.1 13.3 15.6 287 287 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.849 105.2 53.5 -64.2 -32.6 10.2 15.6 16.2 288 288 A R H X S+ 0 0 0 -4,-0.7 4,-1.8 -3,-0.5 5,-0.2 0.949 114.1 39.4 -66.7 -49.4 9.1 15.1 12.6 289 289 A S H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.913 120.2 45.4 -67.9 -42.5 9.1 11.3 12.9 290 290 A C H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.947 114.9 45.6 -66.6 -49.3 7.6 11.3 16.4 291 291 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.887 116.3 44.7 -63.5 -41.6 4.8 13.9 15.8 292 292 A F H X S+ 0 0 1 -4,-1.8 4,-1.3 -5,-0.3 -264,-0.2 0.809 110.3 54.6 -75.7 -30.8 3.7 12.5 12.5 293 293 A L H <>S+ 0 0 0 -4,-1.6 5,-2.8 -5,-0.2 -2,-0.2 0.931 111.4 44.7 -65.4 -45.8 3.7 8.9 13.7 294 294 A I H ><5S+ 0 0 4 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.890 111.0 53.9 -64.3 -40.6 1.4 9.8 16.6 295 295 A A H 3<5S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 107.0 52.5 -63.3 -29.3 -0.8 11.8 14.3 296 296 A D T 3<5S- 0 0 30 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.406 132.9 -91.4 -88.8 1.1 -1.1 8.7 12.1 297 297 A G T < 5S+ 0 0 56 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.391 78.0 140.3 111.4 -1.5 -2.2 6.7 15.1 298 298 A V < - 0 0 9 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.612 31.2-164.7 -78.1 126.9 1.0 5.3 16.6 299 299 A M - 0 0 101 -2,-0.4 11,-0.2 1,-0.0 10,-0.1 -0.908 29.0 -99.8-112.7 141.0 1.1 5.3 20.4 300 300 A P + 0 0 21 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.324 59.3 143.4 -59.6 133.1 4.2 4.7 22.5 301 301 A S - 0 0 30 5,-1.2 9,-0.3 3,-0.1 8,-0.0 -0.907 60.2-100.2-155.3 179.8 4.6 1.2 23.8 302 302 A N S S+ 0 0 96 -2,-0.3 2,-0.3 8,-0.1 3,-0.0 0.302 95.9 53.6 -94.2 6.2 7.1 -1.5 24.5 303 303 A E S >> S- 0 0 107 0, 0.0 4,-0.9 0, 0.0 3,-0.8 -0.989 100.0 -26.0-139.3 154.5 6.5 -3.5 21.4 304 304 A N H 3> S- 0 0 119 -2,-0.3 4,-1.3 1,-0.2 3,-0.4 -0.139 122.0 -3.4 57.2-130.3 6.4 -3.3 17.6 305 305 A R H 3> S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 134.4 56.9 -63.2 -39.3 5.6 0.1 16.1 306 306 A G H <> S+ 0 0 6 -3,-0.8 4,-2.1 1,-0.2 -5,-1.2 0.793 104.7 50.7 -61.0 -35.1 5.0 1.7 19.5 307 307 A Y H X S+ 0 0 47 -4,-0.9 4,-2.7 -3,-0.4 -1,-0.2 0.834 106.6 53.6 -76.5 -32.5 8.5 0.8 20.7 308 308 A V H X S+ 0 0 11 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.908 111.9 46.6 -64.7 -41.8 10.1 2.3 17.6 309 309 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.924 112.7 49.8 -61.7 -46.0 8.2 5.5 18.4 310 310 A R H X S+ 0 0 35 -4,-2.1 4,-2.3 -9,-0.3 -2,-0.2 0.884 108.9 52.8 -61.4 -40.5 9.3 5.2 22.1 311 311 A R H X S+ 0 0 39 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.912 111.2 45.7 -61.2 -44.4 12.9 4.7 21.0 312 312 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.911 112.5 50.2 -68.3 -43.5 12.9 7.8 18.9 313 313 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.943 113.4 45.1 -57.7 -50.2 11.2 10.0 21.5 314 314 A R H X S+ 0 0 18 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.795 110.4 53.7 -70.5 -29.5 13.6 8.9 24.3 315 315 A R H X S+ 0 0 7 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.851 109.7 49.3 -69.8 -34.5 16.7 9.4 22.1 316 316 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.872 109.6 50.8 -69.9 -39.0 15.5 12.9 21.3 317 317 A V H X S+ 0 0 5 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.851 107.4 54.8 -66.3 -35.2 15.0 13.6 25.0 318 318 A R H X S+ 0 0 4 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.911 107.8 48.5 -62.8 -44.0 18.5 12.3 25.7 319 319 A H H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.794 106.0 57.8 -68.3 -29.0 19.9 14.8 23.2 320 320 A G H X>S+ 0 0 0 -4,-1.5 5,-2.6 2,-0.2 4,-0.8 0.874 105.6 50.3 -65.2 -38.0 17.9 17.6 24.8 321 321 A N H <5S+ 0 0 46 -4,-1.6 3,-0.5 3,-0.2 -2,-0.2 0.873 106.0 55.8 -64.9 -39.2 19.7 16.7 28.1 322 322 A M H <5S+ 0 0 98 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.866 107.7 48.8 -58.3 -38.8 23.0 16.9 26.1 323 323 A L H <5S- 0 0 28 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.653 125.8-104.1 -77.7 -16.8 22.0 20.5 25.1 324 324 A G T <5 - 0 0 42 -4,-0.8 -3,-0.2 -3,-0.5 2,-0.2 0.773 48.9-177.7 98.6 32.8 21.2 21.3 28.7 325 325 A A < - 0 0 24 -5,-2.6 -1,-0.2 1,-0.2 -55,-0.1 -0.451 9.2-171.2 -64.3 129.4 17.4 21.3 28.7 326 326 A K + 0 0 207 -2,-0.2 2,-0.3 -56,-0.1 -1,-0.2 0.760 65.2 24.3 -95.0 -30.4 16.1 22.2 32.1 327 327 A E S S- 0 0 130 -58,-0.3 -1,-0.1 1,-0.1 2,-0.0 -0.799 105.4 -60.4-130.5 170.7 12.4 21.4 31.7 328 328 A T + 0 0 36 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.1 -0.316 62.5 157.0 -52.3 127.4 10.1 19.3 29.5 329 329 A F > + 0 0 2 -4,-0.1 3,-1.5 2,-0.1 4,-0.2 0.698 41.8 80.3-128.7 -36.1 10.8 20.4 25.9 330 330 A F G > S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.842 93.4 52.4 -56.9 -42.3 10.0 17.9 23.2 331 331 A Y G > S+ 0 0 55 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.710 96.6 69.9 -67.7 -20.3 6.3 18.5 23.0 332 332 A K G < S+ 0 0 71 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.529 88.9 65.7 -74.2 -5.4 6.9 22.3 22.6 333 333 A L G <> S+ 0 0 0 -3,-1.6 4,-2.0 -4,-0.2 -1,-0.2 0.512 77.6 81.9 -95.3 -7.3 8.2 21.6 19.1 334 334 A V H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 5,-0.2 0.922 91.5 49.8 -64.1 -45.7 4.9 20.4 17.7 335 335 A G H > S+ 0 0 24 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.968 112.4 45.3 -55.5 -60.7 3.7 23.9 17.0 336 336 A P H > S+ 0 0 41 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.849 112.7 53.5 -50.7 -40.0 6.9 25.1 15.3 337 337 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-0.2 0.926 106.1 51.3 -63.4 -47.0 6.9 21.8 13.2 338 338 A I H X S+ 0 0 15 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.871 109.0 53.3 -55.5 -38.3 3.3 22.4 12.1 339 339 A D H < S+ 0 0 136 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.850 110.2 44.2 -69.8 -36.7 4.3 25.9 10.9 340 340 A V H < S+ 0 0 27 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.707 108.2 58.5 -82.3 -20.5 7.2 24.8 8.8 341 341 A M H >< S+ 0 0 1 -4,-1.5 3,-1.8 1,-0.2 2,-0.2 0.741 78.2 179.5 -82.9 -24.7 5.4 21.9 7.1 342 342 A G G >< S+ 0 0 40 -4,-1.0 3,-1.1 1,-0.3 -1,-0.2 -0.414 70.8 1.5 63.8-122.3 2.6 24.0 5.6 343 343 A S G > S+ 0 0 74 1,-0.3 3,-0.8 -2,-0.2 -1,-0.3 0.719 132.5 60.2 -71.2 -21.7 0.1 21.9 3.7 344 344 A A G < S+ 0 0 22 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.532 101.8 54.6 -83.0 -7.1 2.1 18.7 4.5 345 345 A G G <> S+ 0 0 1 -3,-1.1 4,-1.6 -7,-0.2 -1,-0.2 -0.028 76.8 98.2-115.2 29.3 1.5 19.3 8.3 346 346 A E H <> S+ 0 0 115 -3,-0.8 4,-1.5 2,-0.2 -1,-0.1 0.812 77.4 56.3 -87.7 -33.7 -2.2 19.6 8.2 347 347 A D H 4 S+ 0 0 59 -4,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.774 112.6 47.4 -63.8 -25.4 -2.9 16.0 9.3 348 348 A L H >4 S+ 0 0 0 2,-0.2 3,-1.6 1,-0.1 7,-0.2 0.909 106.5 52.0 -81.6 -47.6 -0.8 16.9 12.3 349 349 A K H >< S+ 0 0 133 -4,-1.6 3,-1.6 1,-0.3 4,-0.3 0.828 98.2 69.7 -58.9 -32.6 -2.3 20.3 13.3 350 350 A R T 3< S+ 0 0 171 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.814 115.3 24.8 -53.9 -33.5 -5.7 18.5 13.2 351 351 A Q T <> S+ 0 0 72 -3,-1.6 4,-2.6 -4,-0.3 -1,-0.3 -0.110 80.2 133.7-126.6 39.3 -4.5 16.7 16.4 352 352 A Q H <> S+ 0 0 58 -3,-1.6 4,-3.1 1,-0.2 5,-0.2 0.938 75.0 47.9 -50.6 -57.4 -1.9 19.0 17.8 353 353 A A H > S+ 0 0 73 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.877 113.2 48.7 -55.5 -42.9 -3.2 18.8 21.4 354 354 A Q H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 114.0 44.8 -63.2 -49.1 -3.3 15.0 21.3 355 355 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 -7,-0.2 -2,-0.2 0.893 112.6 53.1 -62.8 -40.9 0.2 14.7 19.9 356 356 A E H X S+ 0 0 51 -4,-3.1 4,-2.3 -5,-0.3 -1,-0.2 0.898 109.5 47.5 -61.7 -42.6 1.5 17.3 22.4 357 357 A Q H X S+ 0 0 102 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.889 110.0 52.3 -68.6 -40.0 0.1 15.4 25.4 358 358 A V H X S+ 0 0 13 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.927 113.9 43.2 -60.7 -46.0 1.5 12.1 24.2 359 359 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.876 114.1 51.0 -67.7 -39.8 5.0 13.5 23.9 360 360 A K H X S+ 0 0 56 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.954 112.9 45.3 -61.3 -51.3 4.7 15.5 27.1 361 361 A T H X S+ 0 0 71 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.897 113.5 50.6 -58.8 -43.6 3.6 12.4 29.0 362 362 A E H X S+ 0 0 11 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.896 111.9 45.8 -65.2 -42.8 6.3 10.2 27.4 363 363 A E H X S+ 0 0 10 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.913 111.8 51.4 -67.0 -43.5 9.1 12.7 28.2 364 364 A E H X S+ 0 0 74 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.861 109.9 51.2 -60.8 -37.7 8.0 13.1 31.8 365 365 A Q H >< S+ 0 0 78 -4,-1.9 3,-0.7 -5,-0.2 4,-0.3 0.915 113.9 42.5 -64.3 -45.2 7.9 9.4 32.2 366 366 A F H >X S+ 0 0 2 -4,-1.9 4,-1.7 1,-0.2 3,-1.1 0.767 102.8 68.6 -74.5 -26.4 11.5 8.9 30.9 367 367 A A H 3< S+ 0 0 56 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.699 84.6 73.1 -66.8 -20.2 12.7 12.0 32.8 368 368 A R T << S+ 0 0 165 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.862 117.4 14.6 -59.3 -37.6 12.2 10.0 36.1 369 369 A T T <> S+ 0 0 28 -3,-1.1 4,-2.4 -4,-0.3 5,-0.2 0.527 100.8 96.2-118.2 -12.4 15.3 7.8 35.3 370 370 A L H X S+ 0 0 10 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.917 90.1 37.5 -50.1 -61.6 17.2 9.6 32.6 371 371 A E H > S+ 0 0 132 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.869 118.2 48.8 -65.4 -39.8 19.8 11.5 34.6 372 372 A R H > S+ 0 0 158 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.824 113.1 50.5 -67.3 -30.9 20.4 8.8 37.1 373 373 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.866 109.0 49.9 -71.6 -38.8 20.7 6.4 34.2 374 374 A L H X S+ 0 0 23 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.830 109.2 52.9 -68.0 -33.1 23.2 8.7 32.5 375 375 A A H X S+ 0 0 54 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.882 109.0 48.9 -68.5 -39.9 25.2 8.9 35.7 376 376 A L H X S+ 0 0 23 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.907 110.4 50.5 -65.0 -43.7 25.3 5.1 35.9 377 377 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.888 109.4 52.1 -61.4 -39.3 26.5 4.9 32.3 378 378 A D H X S+ 0 0 71 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.856 110.1 46.9 -66.7 -37.0 29.2 7.4 33.0 379 379 A E H < S+ 0 0 109 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.763 112.7 50.2 -77.2 -24.6 30.5 5.5 36.0 380 380 A E H < S+ 0 0 49 -4,-1.7 3,-0.3 2,-0.2 -2,-0.2 0.812 110.9 48.8 -79.3 -32.5 30.5 2.2 34.1 381 381 A L H >< S+ 0 0 27 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.787 103.4 62.0 -74.0 -29.1 32.4 3.8 31.2 382 382 A A T 3< S+ 0 0 90 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.720 112.7 35.9 -70.1 -21.8 35.0 5.3 33.6 383 383 A K T 3 S+ 0 0 147 -4,-0.4 2,-0.6 -3,-0.3 -1,-0.2 0.130 89.1 123.6-116.7 17.2 36.0 1.7 34.7 384 384 A L < - 0 0 46 -3,-1.0 2,-0.6 2,-0.1 5,-0.1 -0.724 44.5-161.1 -87.0 116.6 35.6 0.1 31.3 385 385 A S + 0 0 117 -2,-0.6 2,-0.3 3,-0.1 3,-0.2 -0.878 64.2 18.2 -95.4 119.8 38.7 -1.7 30.0 386 386 A G S S- 0 0 62 -2,-0.6 -2,-0.1 1,-0.1 3,-0.0 -0.743 98.6 -75.7 115.3-167.9 38.3 -2.2 26.2 387 387 A D S S+ 0 0 94 -2,-0.3 31,-4.0 30,-0.1 2,-0.4 0.240 100.2 76.9-116.2 10.7 36.1 -0.6 23.6 388 388 A T E -m 418 0C 50 29,-0.2 2,-0.3 -3,-0.2 31,-0.2 -0.977 67.9-137.8-134.2 123.9 32.8 -2.3 24.3 389 389 A L E -m 419 0C 1 29,-3.1 31,-2.5 -2,-0.4 -8,-0.1 -0.591 38.8-114.4 -71.0 134.9 30.2 -1.8 27.1 390 390 A D > - 0 0 66 -2,-0.3 4,-1.5 29,-0.2 3,-0.2 -0.263 16.2-115.0 -74.5 161.1 29.0 -5.2 28.3 391 391 A G H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.798 110.2 62.0 -65.6 -32.7 25.5 -6.5 27.9 392 392 A E H > S+ 0 0 148 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 105.3 46.7 -60.6 -45.6 24.7 -6.6 31.6 393 393 A T H > S+ 0 0 10 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 113.6 48.1 -63.4 -43.8 25.2 -2.8 31.9 394 394 A A H X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.867 112.7 49.2 -65.1 -37.5 23.0 -2.2 28.8 395 395 A F H X S+ 0 0 13 -4,-2.6 4,-3.8 2,-0.2 5,-0.2 0.886 110.3 51.5 -66.9 -40.1 20.4 -4.5 30.1 396 396 A R H X>S+ 0 0 92 -4,-2.5 4,-2.5 2,-0.2 5,-0.8 0.922 108.1 50.4 -62.8 -46.4 20.5 -2.7 33.5 397 397 A L H <5S+ 0 0 0 -4,-2.5 6,-2.7 3,-0.2 4,-0.4 0.821 118.2 41.8 -61.4 -31.3 20.0 0.7 31.8 398 398 A Y H X5S+ 0 0 56 -4,-1.3 4,-1.4 4,-0.3 -2,-0.2 0.943 116.4 44.7 -77.7 -53.7 17.1 -0.8 30.0 399 399 A D H <5S+ 0 0 67 -4,-3.8 -3,-0.2 1,-0.2 -2,-0.2 0.878 130.4 21.5 -62.9 -42.0 15.5 -2.8 32.8 400 400 A T T <5S+ 0 0 70 -4,-2.5 -3,-0.2 -5,-0.2 -1,-0.2 0.868 136.0 28.8 -94.4 -43.4 15.7 -0.1 35.4 401 401 A Y T 4> - 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.381 23.2-115.9 -59.6 148.5 16.7 1.3 24.7 405 405 A V H 3> S+ 0 0 30 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.841 116.9 52.0 -59.2 -34.7 19.9 -0.5 23.7 406 406 A D H 3> S+ 0 0 17 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.757 107.1 53.4 -73.7 -25.3 20.3 1.8 20.7 407 407 A L H <> S+ 0 0 0 -3,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.913 110.5 46.1 -71.7 -45.0 20.0 4.8 22.9 408 408 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.903 113.7 49.8 -60.3 -42.3 22.7 3.5 25.2 409 409 A A H X S+ 0 0 19 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.810 105.3 58.2 -66.7 -31.4 24.8 2.7 22.0 410 410 A D H X S+ 0 0 3 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.902 108.9 44.2 -65.0 -42.8 24.1 6.3 20.8 411 411 A V H >< S+ 0 0 2 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.926 115.0 47.9 -66.3 -46.6 25.7 7.8 23.9 412 412 A C H ><>S+ 0 0 0 -4,-2.1 5,-3.0 1,-0.2 3,-1.5 0.818 103.7 62.2 -65.6 -32.6 28.7 5.4 23.8 413 413 A R H ><5S+ 0 0 101 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.848 94.6 61.8 -61.1 -35.3 29.2 6.0 20.1 414 414 A E T <<5S+ 0 0 56 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.562 110.1 41.1 -69.6 -8.0 30.0 9.7 20.9 415 415 A R T < 5S- 0 0 112 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.105 121.0-104.4-124.9 17.9 32.9 8.5 23.0 416 416 A N T < 5S+ 0 0 149 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.785 77.5 136.0 63.5 30.8 34.1 5.8 20.6 417 417 A I < - 0 0 35 -5,-3.0 -1,-0.2 -8,-0.1 -29,-0.2 -0.926 42.3-147.5-111.4 133.3 32.7 3.0 22.8 418 418 A K E -m 388 0C 127 -31,-4.0 -29,-3.1 -2,-0.4 2,-0.4 -0.397 10.1-129.2 -90.4 170.7 30.8 0.1 21.3 419 419 A V E -m 389 0C 15 -31,-0.2 2,-1.9 -2,-0.1 -29,-0.2 -0.988 13.0-129.5-127.4 128.0 27.9 -1.9 22.8 420 420 A D > + 0 0 64 -31,-2.5 4,-1.2 -2,-0.4 3,-0.1 -0.539 35.1 170.9 -71.5 84.4 27.7 -5.7 23.1 421 421 A E H > S+ 0 0 110 -2,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.650 74.7 58.0 -75.3 -15.8 24.2 -5.9 21.6 422 422 A A H > S+ 0 0 75 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.850 106.8 47.3 -77.3 -38.1 24.5 -9.7 21.5 423 423 A G H > S+ 0 0 18 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.748 110.5 54.6 -72.2 -25.3 25.0 -9.8 25.2 424 424 A F H X S+ 0 0 10 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.929 109.2 44.6 -72.0 -48.7 22.1 -7.4 25.6 425 425 A E H X S+ 0 0 96 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.789 112.3 54.2 -66.2 -28.8 19.7 -9.6 23.7 426 426 A A H X S+ 0 0 57 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.912 110.1 45.2 -69.2 -44.2 21.0 -12.6 25.6 427 427 A A H X S+ 0 0 25 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.805 113.1 53.0 -66.9 -30.1 20.3 -10.9 28.9 428 428 A M H X S+ 0 0 14 -4,-1.9 4,-1.7 2,-0.2 3,-0.3 0.920 109.9 46.2 -69.2 -46.7 16.9 -9.9 27.5 429 429 A E H X S+ 0 0 63 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.833 107.4 58.3 -64.1 -34.7 16.1 -13.5 26.5 430 430 A E H X S+ 0 0 95 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.820 107.7 46.8 -67.2 -31.2 17.2 -14.7 30.0 431 431 A Q H X S+ 0 0 58 -4,-1.0 4,-1.8 -3,-0.3 -1,-0.2 0.852 108.1 56.5 -76.0 -36.9 14.7 -12.4 31.6 432 432 A R H X S+ 0 0 96 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.886 108.7 45.9 -60.8 -41.3 11.9 -13.6 29.2 433 433 A R H X S+ 0 0 104 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.686 107.0 58.2 -79.5 -18.3 12.4 -17.2 30.2 434 434 A R H X S+ 0 0 117 -4,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.855 108.4 47.1 -73.1 -36.4 12.5 -16.3 33.9 435 435 A A H X S+ 0 0 56 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.869 113.7 47.6 -68.7 -38.8 9.0 -14.8 33.2 436 436 A R H X S+ 0 0 108 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.896 113.8 47.6 -67.2 -41.9 8.1 -18.0 31.4 437 437 A E H < S+ 0 0 162 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.923 119.3 38.7 -64.1 -46.5 9.5 -20.2 34.3 438 438 A A H < S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.934 120.9 41.7 -72.1 -48.7 7.7 -18.1 37.0 439 439 A S H < S- 0 0 57 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.839 95.7-135.7 -71.0 -34.9 4.4 -17.5 35.3 440 440 A G < 0 0 68 -4,-1.8 -4,-0.1 -5,-0.3 -3,-0.1 0.186 360.0 360.0 95.2 -16.3 4.0 -21.0 33.8 441 441 A F 0 0 194 -6,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.255 360.0 360.0-114.6 360.0 2.9 -19.6 30.5 442 ! 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 0.0 443 442 A X 0 0 24 0, 0.0 -401,-0.2 0, 0.0 -400,-0.1 0.000 360.0 360.0 360.0 360.0 11.5 4.1 -4.9