==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 03-JAN-05 1YFT . COMPND 2 MOLECULE: ALANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.A.SWAIRJO,P.R.SCHIMMEL . 449 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 21 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.1 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 3 1 0 0 2 2 0 1 1 1 1 1 0 1 0 1 1 0 1 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 . 0 3 2 1 0 0 1 1 1 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 1 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 S 0 0 107 0, 0.0 230,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 35.2 -2.2 -2.0 46.2 2 2 A L - 0 0 43 228,-0.1 2,-0.1 4,-0.0 227,-0.0 0.780 360.0-122.6 71.5 118.5 -4.4 -3.3 49.0 3 3 A S > - 0 0 35 1,-0.1 4,-2.5 235,-0.1 5,-0.2 -0.427 25.2-109.3 -85.0 161.6 -7.1 -1.1 50.6 4 4 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.962 121.9 50.6 -53.3 -53.7 -7.2 -0.4 54.4 5 5 A H H > S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.851 110.0 50.9 -51.3 -42.7 -10.3 -2.6 54.7 6 6 A E H > S+ 0 0 96 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.944 106.8 51.7 -63.1 -52.1 -8.5 -5.5 52.8 7 7 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.884 109.0 52.5 -53.8 -41.6 -5.4 -5.4 55.0 8 8 A R H X S+ 0 0 13 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.932 111.7 44.3 -62.9 -45.6 -7.6 -5.7 58.1 9 9 A E H X S+ 0 0 92 -4,-1.8 4,-3.1 1,-0.2 5,-0.4 0.960 111.9 52.8 -65.3 -46.2 -9.5 -8.7 56.9 10 10 A L H X S+ 0 0 50 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.885 111.3 47.8 -55.0 -42.3 -6.3 -10.4 55.6 11 11 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 5,-0.2 0.990 115.1 42.6 -63.1 -60.2 -4.7 -10.0 59.0 12 12 A L H X S+ 0 0 17 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.913 119.2 44.2 -51.8 -50.3 -7.7 -11.2 61.1 13 13 A S H X S+ 0 0 17 -4,-3.1 4,-1.7 -5,-0.2 3,-0.2 0.920 108.4 58.7 -63.1 -44.1 -8.3 -14.1 58.7 14 14 A F H < S+ 0 0 13 -4,-2.4 4,-0.4 -5,-0.4 -1,-0.2 0.881 110.1 42.8 -53.3 -42.1 -4.7 -15.0 58.5 15 15 A F H <>S+ 0 0 0 -4,-1.9 5,-3.0 2,-0.2 -1,-0.2 0.763 106.4 58.0 -78.7 -27.1 -4.4 -15.5 62.2 16 16 A E H ><5S+ 0 0 89 -4,-1.5 3,-1.4 1,-0.3 -1,-0.2 0.831 104.5 56.8 -67.2 -30.2 -7.7 -17.4 62.6 17 17 A K T 3<5S+ 0 0 133 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.749 101.8 54.1 -67.7 -28.4 -6.0 -19.7 60.2 18 18 A K T 3 5S- 0 0 49 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.005 132.0 -95.8 -94.9 23.5 -3.2 -20.0 62.7 19 19 A G T < 5S+ 0 0 52 -3,-1.4 41,-0.3 1,-0.2 -3,-0.2 0.442 80.9 140.7 77.9 -0.7 -5.7 -21.1 65.3 20 20 A H < - 0 0 5 -5,-3.0 2,-0.7 -6,-0.1 41,-0.3 -0.357 51.8-124.8 -71.8 156.3 -6.2 -17.6 66.8 21 21 A T E -a 61 0A 54 39,-1.7 41,-1.1 -3,-0.1 -1,-0.1 -0.890 20.1-124.1-110.2 108.5 -9.7 -16.6 67.7 22 22 A R E -a 62 0A 80 -2,-0.7 2,-0.5 39,-0.2 41,-0.2 -0.222 29.5-159.6 -49.7 120.2 -11.0 -13.4 66.2 23 23 A V - 0 0 23 39,-3.0 41,-0.4 3,-0.0 3,-0.1 -0.946 19.1-118.2-111.5 122.5 -12.0 -11.2 69.1 24 24 A K - 0 0 182 -2,-0.5 2,-0.2 1,-0.1 41,-0.0 -0.197 43.8 -94.5 -51.6 144.5 -14.5 -8.4 68.5 25 25 A S - 0 0 20 39,-0.1 -1,-0.1 1,-0.1 40,-0.1 -0.449 37.9-123.3 -68.6 135.6 -12.9 -5.0 69.3 26 26 A A - 0 0 26 -2,-0.2 40,-0.5 16,-0.1 2,-0.1 -0.351 37.5 -94.4 -71.3 157.2 -13.6 -3.8 72.8 27 27 A P - 0 0 64 0, 0.0 12,-0.1 0, 0.0 -1,-0.1 -0.430 33.1-110.6 -74.4 155.2 -15.2 -0.4 73.0 28 28 A L S S+ 0 0 0 250,-0.2 11,-2.9 1,-0.1 40,-0.1 0.801 104.9 67.4 -53.5 -32.8 -13.0 2.7 73.4 29 29 A V S S- 0 0 29 253,-0.3 9,-0.1 9,-0.2 -1,-0.1 -0.803 91.7-124.9 -96.4 109.4 -14.2 3.3 77.0 30 30 A P > - 0 0 19 0, 0.0 3,-0.9 0, 0.0 -2,-0.1 -0.264 15.5-135.9 -53.2 125.6 -13.2 0.5 79.4 31 31 A E T 3 S+ 0 0 168 1,-0.3 2,-0.3 -4,-0.1 -2,-0.0 0.888 94.5 9.9 -48.5 -55.6 -16.2 -1.0 81.1 32 32 A N T 3 S+ 0 0 140 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 -0.644 101.3 100.6-130.4 73.5 -14.8 -1.2 84.6 33 33 A D X + 0 0 44 -3,-0.9 3,-1.2 -2,-0.3 -1,-0.1 -0.355 31.8 169.5-153.9 58.4 -11.6 0.7 84.5 34 34 A P T 3 S+ 0 0 121 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.568 76.1 76.5 -54.0 -0.4 -12.2 4.2 85.9 35 35 A T T 3 S+ 0 0 107 1,-0.2 2,-0.5 2,-0.0 3,-0.0 0.941 97.0 32.0 -73.6 -55.4 -8.4 4.2 85.6 36 36 A L < - 0 0 39 -3,-1.2 -1,-0.2 1,-0.1 -3,-0.1 -0.917 65.0-158.9-106.7 127.8 -7.9 4.7 81.8 37 37 A L S S+ 0 0 47 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.667 78.9 31.9 -83.0 -12.7 -10.5 6.8 80.1 38 38 A F S S- 0 0 3 -9,-0.1 2,-0.3 30,-0.1 -9,-0.2 -0.986 80.7-115.9-148.6 137.9 -9.6 5.3 76.8 39 39 A V + 0 0 2 -11,-2.9 29,-2.1 -2,-0.3 3,-0.1 -0.521 33.8 177.0 -65.3 123.7 -8.4 2.0 75.4 40 40 A N + 0 0 26 -2,-0.3 2,-0.3 27,-0.3 -1,-0.2 0.713 57.3 24.4-103.2 -27.6 -5.0 2.8 73.9 41 41 A A S > S- 0 0 7 25,-0.1 3,-1.1 26,-0.1 -1,-0.2 -0.951 77.3-108.4-140.7 159.3 -3.7 -0.6 72.7 42 42 A G T 3 S+ 0 0 1 -2,-0.3 4,-0.3 1,-0.2 -16,-0.1 0.858 115.0 56.7 -51.9 -38.8 -5.0 -4.0 71.5 43 43 A M T >> S+ 0 0 22 1,-0.2 3,-1.9 2,-0.1 4,-0.7 0.754 80.6 89.8 -66.1 -29.5 -3.8 -5.6 74.7 44 44 A V G X4 S+ 0 0 21 -3,-1.1 3,-1.1 1,-0.3 4,-0.3 0.825 90.2 44.0 -36.5 -54.4 -5.7 -3.4 77.1 45 45 A P G 34 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.726 114.5 50.5 -69.9 -19.6 -8.9 -5.6 77.2 46 46 A F G X> S+ 0 0 9 -3,-1.9 4,-2.0 -4,-0.3 3,-1.5 0.410 80.2 108.0 -95.8 1.0 -6.7 -8.7 77.5 47 47 A K H XX S+ 0 0 77 -3,-1.1 4,-1.6 -4,-0.7 3,-0.5 0.886 79.0 44.1 -43.1 -59.2 -4.8 -7.2 80.4 48 48 A N H 3>>S+ 0 0 75 -4,-0.3 6,-1.6 1,-0.2 5,-1.3 0.651 112.5 54.4 -64.7 -17.2 -6.3 -9.4 83.2 49 49 A V H <45S+ 0 0 13 -3,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.767 106.8 49.2 -85.6 -32.2 -5.9 -12.4 81.0 50 50 A F H <<5S+ 0 0 9 -4,-2.0 -2,-0.2 -3,-0.5 -3,-0.1 0.773 109.2 55.2 -75.0 -26.0 -2.2 -11.8 80.4 51 51 A L H <5S- 0 0 66 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.785 113.4-124.6 -74.9 -29.3 -2.0 -11.4 84.2 52 52 A G T <5S+ 0 0 56 -4,-0.5 -3,-0.2 2,-0.2 -4,-0.1 0.418 85.7 104.0 98.6 -2.5 -3.6 -14.8 84.5 53 53 A L S S-K 74 0B 23 3,-1.3 3,-1.3 17,-0.1 2,-0.2 -0.948 86.5 -26.8-170.6 142.1 -4.2 10.6 76.9 72 72 A G T 3 S- 0 0 62 -2,-0.3 3,-0.4 1,-0.3 -3,-0.0 -0.360 114.0 -11.6 70.8-130.0 -1.6 9.7 79.7 73 73 A K T 3 S+ 0 0 201 1,-0.3 -1,-0.3 -2,-0.2 2,-0.1 0.265 146.1 48.0 -91.8 7.7 1.7 8.2 79.1 74 74 A H E < S+K 71 0B 44 -3,-1.3 -3,-1.3 -6,-0.1 2,-0.4 -0.606 79.0 130.8-146.2 71.5 0.3 7.5 75.6 75 75 A N E +K 70 0B 56 -3,-0.4 -5,-0.3 -5,-0.3 3,-0.2 -0.900 15.2 159.6-134.7 102.3 -1.1 10.9 74.7 76 76 A D >> + 0 0 30 -7,-3.7 4,-1.7 -2,-0.4 3,-1.6 0.315 41.3 112.7-105.4 6.5 -0.2 12.3 71.2 77 77 A L T 34 S+ 0 0 16 -8,-0.5 -1,-0.2 1,-0.3 -7,-0.1 0.840 74.4 63.3 -47.0 -35.1 -3.1 14.8 70.9 78 78 A E T 34 S+ 0 0 122 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.866 108.0 37.7 -59.5 -39.1 -0.4 17.5 71.1 79 79 A Q T X> S+ 0 0 55 -3,-1.6 3,-2.4 8,-0.1 4,-0.8 0.706 85.8 123.5 -87.0 -22.3 1.3 16.4 67.9 80 80 A V T 3< S+ 0 0 0 -4,-1.7 7,-0.1 1,-0.3 188,-0.1 -0.134 80.1 15.6 -45.1 123.2 -1.8 15.6 66.0 81 81 A G T 34 S+ 0 0 0 5,-0.5 -1,-0.3 2,-0.4 186,-0.2 -0.133 113.1 75.7 101.9 -35.7 -1.9 17.6 62.7 82 82 A Y T <4 S+ 0 0 82 -3,-2.4 2,-0.2 -4,-0.1 -2,-0.2 0.697 98.1 41.5 -81.9 -21.9 1.7 18.6 62.8 83 83 A T S < S- 0 0 41 -4,-0.8 -2,-0.4 3,-0.1 151,-0.0 -0.703 77.1-127.3-117.5 173.2 3.1 15.2 61.7 84 84 A S S S+ 0 0 27 -2,-0.2 151,-2.5 1,-0.1 152,-0.3 0.235 105.0 45.6-104.3 12.5 1.9 12.7 59.1 85 85 A R S S+ 0 0 32 149,-0.1 2,-0.3 150,-0.1 139,-0.1 0.559 86.4 94.7-126.5 -21.3 1.9 9.8 61.6 86 86 A H + 0 0 41 -7,-0.2 -5,-0.5 -10,-0.0 2,-0.3 -0.592 44.3 164.1 -85.2 139.3 0.2 11.0 64.8 87 87 A H - 0 0 8 -2,-0.3 -11,-0.3 1,-0.2 -18,-0.2 -0.940 41.1-141.5-145.0 165.7 -3.5 10.5 65.5 88 88 A T S S+ 0 0 0 -2,-0.3 -19,-2.1 1,-0.3 2,-0.3 0.863 97.2 33.5 -90.2 -54.8 -6.0 10.6 68.3 89 89 A F E S+B 68 0A 0 182,-0.4 2,-0.3 -21,-0.2 -1,-0.3 -0.782 76.0 146.1-103.8 147.0 -8.0 7.5 67.1 90 90 A F E -B 67 0A 25 -23,-1.7 -23,-2.4 -2,-0.3 2,-0.5 -0.987 41.8-103.6-168.2 168.0 -6.4 4.6 65.3 91 91 A E E -B 66 0A 0 -2,-0.3 131,-2.3 -25,-0.2 2,-0.6 -0.894 20.4-160.6-111.7 127.9 -6.6 0.9 64.7 92 92 A M E -BC 65 221A 8 -27,-1.9 -27,-2.8 -2,-0.5 2,-0.6 -0.915 6.0-158.3-105.5 116.9 -4.2 -1.7 66.2 93 93 A L E +BC 64 220A 0 127,-2.8 127,-1.9 -2,-0.6 2,-0.3 -0.846 29.0 169.3 -92.5 122.9 -4.1 -5.0 64.4 94 94 A G E -B 63 0A 2 -31,-2.9 -31,-2.3 -2,-0.6 2,-0.4 -0.984 34.7-156.9-146.1 153.1 -2.8 -7.6 66.9 95 95 A N E -B 62 0A 0 -2,-0.3 123,-1.6 -33,-0.2 2,-0.4 -0.956 22.9-165.7-120.5 138.9 -2.2 -11.3 67.7 96 96 A F E -BD 61 217A 0 -35,-3.4 -35,-2.4 -2,-0.4 2,-0.4 -0.967 13.5-155.5-133.3 148.0 -1.9 -12.6 71.2 97 97 A S E -BD 60 216A 0 119,-2.5 119,-1.9 -2,-0.4 2,-0.8 -0.972 5.4-157.6-122.1 129.9 -0.7 -15.7 73.0 98 98 A F S S- 0 0 25 -39,-2.9 117,-0.2 -2,-0.4 -42,-0.1 -0.694 79.6 -47.3-107.5 77.7 -1.9 -16.7 76.5 99 99 A G S S+ 0 0 27 -2,-0.8 116,-0.2 115,-0.5 -1,-0.1 0.742 123.5 95.7 68.4 22.0 0.8 -18.9 77.8 100 100 A D S S+ 0 0 73 1,-0.4 -1,-0.1 -41,-0.3 -3,-0.1 0.424 79.8 8.4-107.8-115.1 0.8 -20.8 74.5 101 101 A Y S S- 0 0 7 1,-0.1 -1,-0.4 -42,-0.1 -2,-0.2 -0.294 71.0-178.8 -67.5 156.4 3.2 -20.1 71.5 102 102 A F > - 0 0 42 -3,-0.1 4,-3.1 95,-0.0 5,-0.2 -0.199 43.8 -21.0-130.1-141.2 6.1 -17.7 72.1 103 103 A K H > S+ 0 0 5 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.879 127.4 42.4 -39.7 -68.3 9.1 -16.1 70.3 104 104 A K H > S+ 0 0 66 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.956 119.0 43.2 -50.2 -61.4 9.7 -18.4 67.4 105 105 A E H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.890 113.9 53.2 -53.6 -41.3 6.0 -18.8 66.5 106 106 A A H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.940 112.9 44.3 -57.3 -48.5 5.5 -15.1 67.0 107 107 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.835 112.1 52.6 -66.4 -36.4 8.3 -14.4 64.6 108 108 A E H X S+ 0 0 57 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.938 111.1 43.6 -68.0 -49.4 7.2 -17.0 62.0 109 109 A Y H X S+ 0 0 33 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.856 115.8 49.9 -64.4 -36.1 3.6 -15.8 61.6 110 110 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.3 5,-0.2 0.945 112.5 46.5 -67.2 -47.1 4.8 -12.2 61.5 111 111 A W H X S+ 0 0 44 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.760 113.3 49.8 -66.2 -27.6 7.4 -13.0 58.9 112 112 A E H X S+ 0 0 66 -4,-1.8 4,-2.9 2,-0.2 5,-0.5 0.862 110.2 48.0 -80.3 -36.8 5.0 -15.0 56.8 113 113 A F H X>S+ 0 0 0 -4,-1.9 5,-2.5 3,-0.2 4,-0.7 0.817 114.4 46.5 -73.4 -32.4 2.2 -12.4 56.8 114 114 A V H <5S+ 0 0 0 -4,-1.8 6,-2.5 3,-0.2 -2,-0.2 0.923 125.1 30.9 -73.3 -44.2 4.6 -9.6 55.9 115 115 A T H <5S+ 0 0 19 -4,-1.4 -2,-0.2 4,-0.2 -3,-0.2 0.760 132.5 27.2 -87.7 -29.9 6.3 -11.6 53.1 116 116 A E H <5S+ 0 0 138 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.1 0.557 130.7 29.9-112.3 -10.6 3.5 -13.9 51.8 117 117 A V T <5S+ 0 0 22 -4,-0.7 -3,-0.2 -5,-0.5 -4,-0.1 0.758 129.9 31.6-112.8 -49.0 0.3 -11.9 52.5 118 118 A L S - 0 0 47 0, 0.0 3,-0.7 0, 0.0 4,-0.2 -0.415 17.6-138.1 -67.9 136.1 10.2 -7.7 49.7 122 122 A K T 3 S+ 0 0 123 1,-0.2 3,-0.3 2,-0.2 -7,-0.0 0.636 101.5 60.0 -67.2 -12.9 12.5 -9.7 52.1 123 123 A E T 3 S+ 0 0 93 1,-0.2 -1,-0.2 23,-0.1 -3,-0.0 0.763 101.4 47.8 -87.4 -28.8 15.3 -7.4 51.1 124 124 A K S < S+ 0 0 72 -3,-0.7 54,-4.1 2,-0.0 2,-0.4 0.254 94.2 102.2 -95.9 15.1 13.9 -4.0 52.3 125 125 A L E -E 177 0A 2 -3,-0.3 2,-0.3 52,-0.2 52,-0.2 -0.843 47.2-177.9-105.7 135.0 12.9 -5.5 55.6 126 126 A Y E -E 176 0A 38 50,-3.0 50,-3.3 -2,-0.4 2,-0.3 -0.886 7.5-160.1-124.6 153.4 14.8 -4.9 58.9 127 127 A V E -Ef 175 151A 0 23,-2.0 25,-2.2 -2,-0.3 2,-0.4 -0.984 7.3-146.3-134.6 146.5 14.1 -6.3 62.3 128 128 A S E -Ef 174 152A 0 46,-1.8 46,-0.6 -2,-0.3 2,-0.3 -0.883 14.5-165.8-114.0 147.3 15.3 -5.0 65.7 129 129 A V E - f 0 153A 0 23,-3.6 25,-2.8 -2,-0.4 2,-0.2 -0.927 33.8 -97.2-132.6 157.0 16.2 -7.1 68.7 130 130 A Y E > - f 0 154A 62 -2,-0.3 3,-2.7 23,-0.2 7,-0.2 -0.534 46.7-121.3 -64.0 128.3 16.8 -6.6 72.4 131 131 A K T 3 S+ 0 0 125 23,-3.0 -1,-0.1 1,-0.3 24,-0.1 0.838 110.9 37.0 -49.1 -42.7 20.6 -6.5 72.6 132 132 A D T 3 S+ 0 0 139 22,-0.2 2,-1.4 1,-0.1 -1,-0.3 0.035 85.0 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A Y T 3 S+ 0 0 47 -2,-0.3 4,-0.1 1,-0.2 -10,-0.0 -0.722 96.8 27.8 -84.4 118.5 -4.0 20.4 50.6 257 257 A G T 3 S+ 0 0 58 -2,-0.5 -1,-0.2 2,-0.3 3,-0.1 0.383 92.6 96.6 113.4 -2.7 -0.3 20.7 49.9 258 258 A E S < S+ 0 0 145 -3,-0.8 2,-0.3 1,-0.3 -2,-0.1 0.887 92.2 2.0 -84.4 -47.2 -0.1 24.5 49.4 259 259 A K > - 0 0 117 -4,-0.4 4,-2.4 1,-0.2 -2,-0.3 -0.997 63.1-125.4-147.9 141.1 1.1 25.7 52.9 260 260 A F H > S+ 0 0 126 -2,-0.3 4,-2.8 1,-0.2 3,-0.4 0.949 108.3 53.2 -47.4 -65.5 2.1 24.0 56.1 261 261 A E H > S+ 0 0 112 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.844 112.2 46.6 -39.9 -46.7 -0.3 25.9 58.4 262 262 A T H > S+ 0 0 20 -3,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.915 111.3 50.3 -65.7 -43.5 -3.2 24.9 56.1 263 263 A D H X S+ 0 0 20 -4,-2.4 4,-2.2 -3,-0.4 -2,-0.2 0.847 108.2 56.0 -63.2 -33.6 -2.1 21.3 55.9 264 264 A V H X S+ 0 0 6 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.937 109.5 43.5 -62.8 -49.5 -1.9 21.3 59.7 265 265 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.938 113.3 52.0 -63.1 -45.7 -5.5 22.4 60.1 266 266 A L 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X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.817 114.9 52.4 -65.7 -32.1 -15.2 12.2 67.9 277 277 A T H X S+ 0 0 1 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.943 114.6 39.2 -69.6 -50.1 -17.3 9.8 65.8 278 278 A F H X S+ 0 0 1 -4,-2.5 4,-0.9 2,-0.2 -250,-0.2 0.815 118.0 52.0 -70.1 -29.7 -15.9 6.6 67.3 279 279 A A H <>S+ 0 0 1 -4,-2.0 5,-2.0 -5,-0.3 3,-0.3 0.942 114.0 38.3 -72.7 -50.7 -15.9 8.2 70.8 280 280 A I H ><5S+ 0 0 2 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.876 112.5 59.5 -69.6 -34.3 -19.5 9.4 70.9 281 281 A S H 3<5S+ 0 0 26 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.820 104.4 51.8 -61.3 -30.5 -20.6 6.3 69.1 282 282 A D T 3<5S- 0 0 40 -4,-0.9 -1,-0.3 -3,-0.3 -253,-0.3 0.169 133.6 -85.6 -93.4 18.0 -19.2 4.3 72.0 283 283 A G T < 5S+ 0 0 53 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.196 79.6 138.9 105.4 -18.0 -21.0 6.3 74.7 284 284 A V < - 0 0 7 -5,-2.0 -1,-0.3 7,-0.1 -2,-0.1 -0.471 30.8-166.7 -69.5 126.9 -18.9 9.3 75.4 285 285 A I - 0 0 76 -2,-0.3 11,-0.1 1,-0.0 10,-0.1 -0.932 29.4-104.4-113.5 132.0 -20.9 12.6 75.8 286 286 A 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L T 3<5S- 0 0 10 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.606 129.6-101.1 -76.2 -12.2 -9.3 28.0 57.8 310 310 A G T < 5S+ 0 0 56 -3,-2.7 2,-0.7 -4,-0.3 -3,-0.2 0.447 72.7 146.7 105.6 0.7 -12.0 30.6 57.5 311 311 A I < + 0 0 16 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.660 19.2 177.1 -76.5 112.2 -15.0 28.4 58.1 312 312 A E + 0 0 101 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.1 0.497 55.3 61.2 -92.9 -12.3 -17.7 30.4 60.0 313 313 A N S S- 0 0 123 1,-0.1 37,-0.0 40,-0.0 36,-0.0 -0.818 98.8 -79.1-117.7 160.5 -20.6 28.0 60.3 314 314 A P + 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.236 59.9 149.4 -51.5 141.0 -20.9 24.6 62.0 315 315 A F >> + 0 0 9 -4,-0.1 3,-1.5 -3,-0.0 4,-1.0 0.509 45.1 84.2-149.1 -27.2 -19.3 21.9 59.8 316 316 A L H 3> S+ 0 0 0 1,-0.3 4,-1.1 2,-0.2 30,-0.1 0.773 88.0 64.7 -55.1 -27.4 -17.9 19.0 61.9 317 317 A Y H 3> S+ 0 0 31 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.828 97.2 53.5 -67.8 -31.4 -21.3 17.5 61.9 318 318 A K H <> S+ 0 0 99 -3,-1.5 4,-0.6 1,-0.2 3,-0.3 0.821 103.2 58.3 -72.7 -29.0 -21.2 17.0 58.2 319 319 A G H >X S+ 0 0 0 -4,-1.0 4,-2.4 1,-0.2 3,-0.8 0.822 91.0 70.5 -69.0 -30.8 -18.0 15.2 58.5 320 320 A V H 3X S+ 0 0 0 -4,-1.1 4,-2.3 1,-0.3 -1,-0.2 0.925 94.9 53.2 -51.9 -48.9 -19.5 12.6 60.8 321 321 A D H 3X S+ 0 0 37 -4,-0.7 4,-1.8 -3,-0.3 -1,-0.3 0.797 108.4 51.8 -58.3 -29.1 -21.6 11.1 57.9 322 322 A L H < + 0 0 11 -4,-1.3 3,-2.1 -7,-0.1 4,-0.2 -0.442 64.2 161.7-133.7 62.1 -17.8 -1.1 62.0 332 332 A P T > + 0 0 75 0, 0.0 3,-2.3 0, 0.0 4,-0.5 0.807 67.8 73.5 -51.8 -35.3 -21.4 -1.6 61.1 333 333 A E T >> S+ 0 0 80 1,-0.3 3,-1.2 2,-0.2 4,-0.9 0.776 81.5 76.1 -53.1 -24.3 -22.7 -0.4 64.5 334 334 A L H <> S+ 0 0 3 -3,-2.1 4,-0.9 1,-0.3 3,-0.3 0.794 84.8 60.4 -58.6 -31.1 -21.8 3.1 63.4 335 335 A E H <4 S+ 0 0 96 -3,-2.3 4,-0.4 -4,-0.2 -1,-0.3 0.805 102.1 53.4 -69.4 -24.1 -24.8 3.3 61.1 336 336 A L H <4 S+ 0 0 157 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.745 117.6 36.1 -79.1 -25.9 -27.1 2.9 64.1 337 337 A S H X S+ 0 0 19 -4,-0.9 4,-3.3 -3,-0.3 5,-0.3 0.409 90.3 100.8-105.3 0.2 -25.4 5.7 66.0 338 338 A R H X S+ 0 0 73 -4,-0.9 4,-1.9 1,-0.2 -2,-0.1 0.898 88.1 38.1 -50.6 -52.1 -24.8 7.8 62.8 339 339 A E H > S+ 0 0 123 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.771 118.1 50.5 -74.5 -26.6 -27.8 10.2 63.5 340 340 A F H > S+ 0 0 115 2,-0.2 4,-2.0 -4,-0.2 -2,-0.2 0.881 112.3 46.0 -78.0 -38.0 -27.2 10.3 67.2 341 341 A V H X S+ 0 0 1 -4,-3.3 4,-2.3 2,-0.2 5,-0.2 0.911 110.5 54.7 -68.4 -41.3 -23.5 11.1 66.8 342 342 A K H X S+ 0 0 52 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.904 109.8 46.7 -60.5 -42.6 -24.3 13.7 64.3 343 343 A G H X S+ 0 0 41 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.942 110.5 49.5 -65.5 -50.2 -26.7 15.5 66.6 344 344 A I H X S+ 0 0 43 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.914 114.2 48.4 -54.4 -43.8 -24.5 15.5 69.7 345 345 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.837 112.3 46.8 -66.6 -36.3 -21.7 16.9 67.4 346 346 A K H X S+ 0 0 72 -4,-1.9 4,-3.6 -5,-0.2 5,-0.4 0.872 110.8 53.7 -74.0 -37.0 -24.0 19.6 66.0 347 347 A G H X S+ 0 0 33 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.961 109.9 46.1 -59.6 -53.0 -25.2 20.5 69.4 348 348 A E H < S+ 0 0 13 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.958 117.6 45.5 -51.8 -55.1 -21.7 21.0 70.7 349 349 A E H >X S+ 0 0 4 -4,-2.0 4,-3.0 2,-0.2 3,-2.6 0.947 117.7 39.3 -56.3 -58.3 -20.8 23.1 67.6 350 350 A K H 3< S+ 0 0 117 -4,-3.6 4,-0.3 1,-0.3 -1,-0.2 0.877 118.1 54.8 -60.6 -32.4 -23.9 25.2 67.5 351 351 A R T 3< S+ 0 0 191 -4,-2.9 -1,-0.3 -5,-0.4 -2,-0.2 0.249 122.5 23.9 -83.1 12.3 -23.5 25.3 71.2 352 352 A F T <> S+ 0 0 22 -3,-2.6 4,-2.0 -5,-0.1 3,-0.5 0.595 91.1 89.3-147.9 -24.7 -19.9 26.5 71.0 353 353 A I H X S+ 0 0 30 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.881 88.8 50.0 -47.1 -56.2 -19.0 28.4 67.8 354 354 A K H > S+ 0 0 160 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.866 112.0 48.2 -57.2 -38.7 -19.9 32.0 68.8 355 355 A T H > S+ 0 0 63 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.882 110.1 51.6 -68.5 -38.9 -17.9 31.8 72.0 356 356 A L H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.910 110.2 51.3 -63.2 -40.1 -14.9 30.4 70.2 357 357 A K H X S+ 0 0 35 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.936 113.8 40.5 -62.4 -51.0 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