==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 01-DEC-04 1WU7 . COMPND 2 MOLECULE: HISTIDYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR Y.TANAKA,N.SAKAI,M.YAO,N.WATANABE,T.TAMURA,I.TANAKA . 844 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 610 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 58 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 259 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 4 4 2 2 3 5 1 3 0 0 1 1 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 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 PARALLEL BRIDGES PER LADDER . 5 0 8 4 4 0 4 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 2 0 2 0 0 0 2 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 3 A R 0 0 222 0, 0.0 2,-0.2 0, 0.0 720,-0.1 0.000 360.0 360.0 360.0 158.5 8.2 79.5 92.3 2 4 A L - 0 0 137 721,-0.0 2,-0.3 2,-0.0 721,-0.0 -0.632 360.0-144.2-102.9 162.2 7.2 75.8 92.6 3 5 A Q - 0 0 52 -2,-0.2 2,-0.7 719,-0.1 719,-0.1 -0.946 16.9-121.7-130.8 150.3 6.4 73.4 89.8 4 6 A I - 0 0 61 -2,-0.3 2,-0.1 717,-0.2 466,-0.0 -0.805 39.4-143.9 -88.0 115.8 4.0 70.5 89.2 5 7 A E - 0 0 119 -2,-0.7 465,-0.3 1,-0.1 3,-0.1 -0.300 22.0 -92.7 -76.1 163.6 6.3 67.5 88.4 6 8 A K - 0 0 63 1,-0.1 -1,-0.1 463,-0.1 463,-0.1 -0.364 57.6 -79.1 -72.7 159.1 5.5 64.8 85.9 7 9 A I > - 0 0 0 461,-0.4 3,-1.9 1,-0.1 -1,-0.1 -0.291 53.6-101.9 -58.6 138.2 3.8 61.7 87.2 8 10 A R T 3 S+ 0 0 94 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.364 109.7 36.3 -61.0 140.9 6.1 59.2 88.9 9 11 A G T 3 S+ 0 0 14 1,-0.4 109,-2.1 -3,-0.1 110,-0.8 0.201 97.6 101.5 99.8 -17.4 7.0 56.4 86.5 10 12 A F < - 0 0 5 -3,-1.9 -1,-0.4 107,-0.2 2,-0.3 -0.687 59.7-139.5-102.0 157.1 7.1 58.6 83.4 11 13 A R - 0 0 32 -2,-0.2 2,-0.3 108,-0.2 -4,-0.1 -0.821 5.7-145.3-118.5 154.8 10.1 59.9 81.6 12 14 A D - 0 0 24 -2,-0.3 2,-0.5 453,-0.2 453,-0.2 -0.841 17.9-147.0-107.6 149.2 11.2 63.1 79.9 13 15 A F B -A 464 0A 7 451,-2.9 451,-2.0 -2,-0.3 497,-0.0 -0.911 13.6-167.5-123.6 103.5 13.5 62.8 76.9 14 16 A Y >> - 0 0 36 -2,-0.5 4,-2.9 449,-0.2 3,-0.6 -0.362 45.0 -88.4 -79.6 167.3 16.0 65.6 76.5 15 17 A P H 3> S+ 0 0 4 0, 0.0 4,-1.7 0, 0.0 447,-0.1 0.880 131.2 48.7 -43.0 -50.3 18.0 65.9 73.2 16 18 A E H 3> S+ 0 0 74 1,-0.2 4,-0.9 2,-0.2 447,-0.0 0.891 112.6 49.2 -60.1 -39.1 20.7 63.6 74.4 17 19 A D H X> S+ 0 0 62 -3,-0.6 4,-1.7 1,-0.2 3,-1.0 0.954 110.2 49.9 -65.3 -48.7 18.1 61.1 75.5 18 20 A X H 3X S+ 0 0 1 -4,-2.9 4,-3.1 444,-0.3 5,-0.3 0.741 97.4 69.1 -62.4 -24.3 16.3 61.3 72.1 19 21 A D H 3X S+ 0 0 70 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.3 0.908 106.6 41.0 -60.5 -36.2 19.5 60.7 70.3 20 22 A V H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-1.1 0.954 114.2 45.8 -57.4 -51.6 11.6 45.7 59.6 33 35 A E H ><5S+ 0 0 39 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.793 104.8 61.5 -63.5 -29.0 11.0 47.4 56.3 34 36 A A H 3<5S+ 0 0 1 -4,-1.9 749,-2.7 1,-0.3 -1,-0.3 0.765 103.9 50.7 -68.5 -24.1 14.0 45.7 54.7 35 37 A F T <<5S- 0 0 10 -3,-1.1 750,-0.3 -4,-1.1 -1,-0.3 0.280 129.0-100.9 -93.7 6.5 12.3 42.4 55.5 36 38 A G T < 5S+ 0 0 13 -3,-1.5 63,-0.2 1,-0.3 -3,-0.2 0.460 74.2 145.7 89.2 1.3 9.2 43.7 53.8 37 39 A F < - 0 0 4 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.397 37.1-144.3 -71.4 151.0 7.3 44.6 56.9 38 40 A R E -b 100 0B 79 61,-2.4 63,-2.0 -2,-0.1 2,-0.1 -0.959 13.8-114.0-122.6 137.7 5.1 47.7 56.7 39 41 A R E +b 101 0B 24 -2,-0.4 402,-0.3 61,-0.2 2,-0.3 -0.358 36.4 170.3 -69.7 141.3 4.4 50.3 59.4 40 42 A I - 0 0 1 61,-1.8 63,-0.4 401,-0.1 2,-0.3 -0.918 11.6-164.0-139.9 166.2 0.9 50.7 60.9 41 43 A D B -J 436 0C 0 395,-1.9 395,-2.8 -2,-0.3 399,-0.1 -0.939 4.9-174.3-147.7 166.9 -0.5 52.7 63.9 42 44 A F - 0 0 0 -2,-0.3 393,-0.2 393,-0.2 42,-0.1 -0.933 40.6 -57.2-155.3 171.1 -3.6 52.6 65.9 43 45 A P - 0 0 0 0, 0.0 40,-0.1 0, 0.0 34,-0.0 -0.148 31.2-142.9 -56.9 149.6 -5.4 54.5 68.7 44 46 A S S S+ 0 0 2 1,-0.1 33,-2.7 32,-0.1 2,-0.4 0.572 91.1 58.2 -87.0 -10.1 -3.7 55.0 72.1 45 47 A L E +K 76 0D 1 31,-0.2 2,-0.3 385,-0.1 385,-0.3 -0.975 66.5 164.8-122.7 131.9 -7.1 54.5 73.7 46 48 A E E -K 75 0D 0 29,-2.1 29,-2.6 -2,-0.4 2,-0.2 -0.946 46.2 -86.0-140.6 160.9 -9.3 51.4 73.3 47 49 A Y E > -K 74 0D 59 381,-0.4 3,-2.1 -2,-0.3 4,-0.3 -0.515 36.6-130.4 -66.9 134.3 -12.3 49.9 75.0 48 50 A L T >> S+ 0 0 5 25,-2.0 3,-1.6 1,-0.3 4,-0.6 0.767 103.8 73.9 -57.1 -26.4 -11.0 47.8 77.9 49 51 A D H >> S+ 0 0 70 24,-0.5 3,-0.7 1,-0.3 4,-0.5 0.768 81.6 71.6 -59.3 -24.7 -13.3 45.0 76.6 50 52 A L H <4 S+ 0 0 5 -3,-2.1 4,-0.3 1,-0.2 -1,-0.3 0.785 100.1 44.6 -62.4 -28.5 -10.7 44.5 73.8 51 53 A Y H <> S+ 0 0 0 -3,-1.6 4,-1.6 -4,-0.3 -1,-0.2 0.591 89.7 84.0 -93.7 -11.3 -8.2 43.0 76.2 52 54 A R H << S+ 0 0 95 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.793 82.2 62.7 -65.4 -27.0 -10.6 40.7 78.1 53 55 A I T < S+ 0 0 81 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.960 115.8 27.5 -62.3 -51.0 -10.2 37.9 75.5 54 56 A K T 4 S+ 0 0 56 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.2 0.578 124.0 42.4 -90.9 -9.6 -6.5 37.4 76.0 55 57 A S S < S- 0 0 17 -4,-1.6 2,-0.1 5,-0.0 -1,-0.1 -0.989 73.9-123.4-139.4 149.5 -6.1 38.5 79.6 56 58 A G >> - 0 0 33 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.335 36.2 -99.2 -85.4 168.3 -7.9 38.1 82.9 57 59 A E T 34 S+ 0 0 154 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.778 120.4 62.6 -54.9 -29.0 -9.3 40.7 85.3 58 60 A E T >4 S+ 0 0 131 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.945 109.8 35.5 -63.5 -49.8 -6.1 40.2 87.4 59 61 A L G X4 S+ 0 0 46 -3,-0.5 3,-1.5 1,-0.2 -2,-0.2 0.816 109.6 66.1 -73.8 -31.0 -3.7 41.4 84.7 60 62 A L G >< S+ 0 0 10 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.444 84.0 75.8 -72.3 1.0 -6.2 44.0 83.5 61 63 A Q G < S+ 0 0 124 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.633 83.6 65.3 -85.2 -15.3 -5.8 45.8 86.8 62 64 A Q G < S+ 0 0 75 -3,-1.5 47,-2.0 -4,-0.1 2,-0.3 0.007 83.2 105.0 -95.8 28.8 -2.4 47.2 85.8 63 65 A T S < S- 0 0 1 -3,-0.6 2,-2.2 45,-0.3 45,-0.1 -0.815 82.0-116.6-109.4 149.0 -3.9 49.3 83.0 64 66 A Y + 0 0 2 12,-0.4 12,-1.8 -2,-0.3 2,-0.2 -0.546 61.9 160.4 -81.7 76.6 -4.5 53.0 82.9 65 67 A S E +L 75 0D 19 -2,-2.2 2,-0.3 10,-0.2 10,-0.2 -0.572 17.6 165.1-102.6 163.9 -8.3 52.5 82.7 66 68 A F E -L 74 0D 30 8,-2.4 8,-2.8 -2,-0.2 2,-0.4 -0.977 38.9 -86.4-167.7 162.1 -11.3 54.7 83.4 67 69 A V E -L 73 0D 101 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.643 38.6-145.5 -84.6 131.5 -15.1 55.0 82.8 68 70 A D > - 0 0 37 4,-3.0 3,-2.7 -2,-0.4 4,-0.5 -0.506 34.0 -88.5 -92.8 158.6 -16.3 56.7 79.6 69 71 A K T 3 S+ 0 0 164 1,-0.3 -2,-0.0 2,-0.2 -1,-0.0 0.797 127.0 46.3 -28.0 -63.2 -19.4 58.8 79.1 70 72 A G T 3 S- 0 0 66 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.107 127.9 -96.3 -76.7 25.7 -21.8 56.0 78.4 71 73 A G S < S+ 0 0 52 -3,-2.7 2,-0.5 1,-0.2 -2,-0.2 0.776 81.0 145.2 66.4 25.7 -20.4 54.0 81.3 72 74 A R - 0 0 144 -4,-0.5 -4,-3.0 -24,-0.0 2,-0.3 -0.837 50.3-124.0 -99.4 130.8 -18.1 52.2 79.0 73 75 A E E + L 0 67D 85 -2,-0.5 -25,-2.0 -6,-0.2 -24,-0.5 -0.575 34.3 175.6 -75.9 129.6 -14.6 51.2 80.3 74 76 A V E -KL 47 66D 4 -8,-2.8 -8,-2.4 -2,-0.3 2,-0.3 -0.863 6.3-167.4-127.0 162.5 -11.7 52.5 78.2 75 77 A T E -KL 46 65D 0 -29,-2.6 -29,-2.1 -2,-0.3 2,-0.3 -0.989 32.8-104.8-150.9 157.3 -7.9 52.3 78.7 76 78 A L E -K 45 0D 0 -12,-1.8 -12,-0.4 -2,-0.3 -31,-0.2 -0.688 65.8 -93.1 -75.2 137.3 -4.6 53.6 77.5 77 79 A I - 0 0 0 -33,-2.7 30,-2.9 -2,-0.3 -1,-0.1 -0.308 35.4-165.7 -59.6 131.8 -3.3 50.7 75.5 78 80 A P S S- 0 0 6 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.549 74.8 -0.7 -91.9 -9.6 -1.1 48.3 77.6 79 81 A E - 0 0 37 26,-0.1 4,-0.3 1,-0.1 28,-0.1 -0.960 66.3-120.9-166.2 171.4 0.2 46.6 74.5 80 82 A A S >> S+ 0 0 0 -2,-0.3 4,-2.2 2,-0.1 3,-0.6 0.820 85.4 79.1 -96.0 -34.5 -0.2 46.6 70.7 81 83 A T H 3> S+ 0 0 11 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.819 89.7 52.1 -48.3 -49.5 -1.4 43.1 69.6 82 84 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.913 114.1 46.2 -57.9 -39.5 -5.1 43.3 70.4 83 85 A S H <> S+ 0 0 0 -3,-0.6 4,-1.5 -4,-0.3 -2,-0.2 0.917 114.4 47.6 -65.3 -44.6 -5.3 46.6 68.4 84 86 A T H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 3,-0.4 0.938 112.4 48.8 -62.1 -48.4 -3.3 45.1 65.6 85 87 A V H X S+ 0 0 3 -4,-3.6 4,-2.4 1,-0.2 -1,-0.2 0.904 107.6 55.4 -59.2 -42.1 -5.4 42.0 65.5 86 88 A R H < S+ 0 0 7 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.840 109.2 48.1 -60.4 -33.3 -8.6 44.1 65.5 87 89 A X H >X S+ 0 0 0 -4,-1.5 3,-0.9 -3,-0.4 4,-0.7 0.875 108.5 53.2 -74.3 -38.1 -7.2 45.9 62.4 88 90 A V H 3< S+ 0 0 2 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.913 116.3 39.7 -61.9 -42.7 -6.4 42.6 60.7 89 91 A T T 3< S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.296 106.8 64.6 -93.0 10.5 -9.9 41.4 61.3 90 92 A S T <4 S+ 0 0 78 -3,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.535 99.4 50.6-106.7 -11.9 -11.7 44.7 60.5 91 93 A R >< - 0 0 78 -4,-0.7 3,-0.6 -3,-0.4 -1,-0.2 -0.973 60.5-172.4-130.6 116.4 -10.8 45.0 56.8 92 94 A K T 3 S+ 0 0 149 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.335 73.6 74.4 -93.5 7.8 -11.4 42.0 54.5 93 95 A D T 3 + 0 0 124 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.540 69.4 125.7 -92.8 -6.1 -9.8 43.2 51.3 94 96 A L < - 0 0 27 -3,-0.6 4,-0.1 -6,-0.2 -3,-0.0 -0.269 56.9-133.6 -59.6 126.7 -6.3 42.6 52.9 95 97 A Q - 0 0 93 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.074 36.7 -79.7 -64.7-174.8 -4.0 40.3 51.0 96 98 A R S S+ 0 0 49 1,-0.1 2,-0.1 2,-0.0 33,-0.1 -0.988 97.8 31.1-150.9 140.5 -2.0 37.6 52.7 97 99 A P S S- 0 0 1 0, 0.0 2,-0.5 0, 0.0 32,-0.2 0.576 73.6-154.3 -79.2 169.9 0.4 37.2 54.3 98 100 A L E - C 0 128B 12 30,-2.5 30,-2.6 -2,-0.1 2,-0.7 -0.947 8.2-167.4-112.9 122.4 0.5 40.5 56.2 99 101 A R E + C 0 127B 9 -2,-0.5 -61,-2.4 -63,-0.2 2,-0.4 -0.918 24.4 165.6-109.6 103.9 3.9 41.8 57.5 100 102 A W E -bC 38 126B 10 26,-2.2 26,-2.8 -2,-0.7 2,-0.3 -0.955 15.3-178.6-124.9 141.4 3.1 44.6 59.9 101 103 A Y E -bC 39 125B 1 -63,-2.0 -61,-1.8 -2,-0.4 2,-0.3 -0.976 1.4-176.5-135.5 150.4 5.1 46.4 62.5 102 104 A S E - C 0 124B 1 22,-2.3 22,-2.7 -2,-0.3 -61,-0.1 -0.946 14.7-171.0-140.5 159.8 4.4 49.2 65.0 103 105 A F + 0 0 8 -63,-0.4 20,-0.2 -2,-0.3 2,-0.1 -0.276 35.3 139.1-149.8 55.9 6.3 51.2 67.5 104 106 A P - 0 0 8 0, 0.0 18,-2.9 0, 0.0 2,-0.2 -0.252 56.2 -87.1 -92.4-174.8 3.9 53.3 69.6 105 107 A K E -M 121 0E 16 16,-0.2 2,-0.3 -2,-0.1 16,-0.2 -0.605 38.5-163.5 -88.8 153.3 3.9 54.0 73.3 106 108 A V E -M 120 0E 4 14,-1.9 14,-1.7 -2,-0.2 2,-0.3 -0.970 6.5-144.1-135.3 151.1 2.1 51.7 75.7 107 109 A W E -M 119 0E 2 -30,-2.9 2,-0.4 -2,-0.3 12,-0.2 -0.897 14.1-178.1-121.1 148.2 1.0 52.4 79.3 108 110 A R - 0 0 89 10,-2.2 2,-1.4 -2,-0.3 -45,-0.3 -0.969 26.0-135.5-145.3 123.4 1.0 50.3 82.4 109 111 A Y + 0 0 38 -47,-2.0 2,-0.3 -2,-0.4 -100,-0.0 -0.672 54.0 137.2 -82.1 95.0 -0.3 51.4 85.8 110 112 A E - 0 0 39 -2,-1.4 -2,-0.1 4,-0.0 8,-0.1 -0.982 57.9-104.0-140.1 149.5 2.4 50.0 88.0 111 113 A E - 0 0 100 -2,-0.3 3,-0.5 1,-0.1 2,-0.2 -0.541 36.1-113.2 -75.4 138.1 4.3 51.4 91.0 112 114 A P S S+ 0 0 56 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.348 94.7 102.0 -52.7 9.5 7.9 52.6 90.3 113 115 A Q + 0 0 162 -2,-0.2 2,-0.6 1,-0.1 -3,-0.0 0.987 67.5 56.7 -58.7 -81.4 8.9 49.7 92.5 114 116 A A S S- 0 0 35 -3,-0.5 2,-0.2 1,-0.2 -1,-0.1 -0.378 114.9-100.1 -56.6 103.5 10.0 47.1 89.9 115 117 A G S S+ 0 0 82 -2,-0.6 2,-0.2 1,-0.0 -1,-0.2 0.071 88.0 103.5 -30.2 81.9 12.6 49.2 88.1 116 118 A R - 0 0 149 -2,-0.2 2,-0.3 -4,-0.2 -107,-0.1 -0.822 65.1-109.7-151.1-172.2 10.4 50.1 85.2 117 119 A Y - 0 0 103 -2,-0.2 -107,-0.2 1,-0.0 -108,-0.1 -0.943 16.1-132.2-131.1 152.6 8.3 52.9 83.7 118 120 A R S S+ 0 0 2 -109,-2.1 -10,-2.2 -2,-0.3 2,-0.3 0.549 98.1 35.9 -79.0 -6.1 4.6 53.4 83.4 119 121 A E E +M 107 0E 3 -110,-0.8 2,-0.3 -12,-0.2 -12,-0.2 -0.986 69.0 151.2-149.1 132.7 5.1 54.4 79.8 120 122 A H E -M 106 0E 44 -14,-1.7 -14,-1.9 -2,-0.3 2,-0.5 -0.992 47.8 -94.8-157.0 161.4 7.6 53.2 77.1 121 123 A Y E -M 105 0E 22 -2,-0.3 191,-2.0 -16,-0.2 2,-0.5 -0.714 41.3-164.2 -81.8 125.5 8.0 52.8 73.4 122 124 A Q E - D 0 311B 34 -18,-2.9 2,-0.4 -2,-0.5 189,-0.2 -0.954 4.6-156.6-116.4 122.1 7.1 49.3 72.4 123 125 A F E + D 0 310B 0 187,-2.7 187,-2.2 -2,-0.5 2,-0.4 -0.832 14.1 179.9-100.1 135.5 8.1 47.8 69.1 124 126 A N E -CD 102 309B 14 -22,-2.7 -22,-2.3 -2,-0.4 2,-0.4 -1.000 9.8-176.1-136.2 138.0 6.1 44.9 67.6 125 127 A A E +CD 101 308B 0 183,-2.0 183,-1.9 -2,-0.4 2,-0.3 -0.994 14.2 172.6-133.9 126.1 6.6 42.9 64.3 126 128 A D E -CD 100 307B 4 -26,-2.8 -26,-2.2 -2,-0.4 2,-0.5 -0.984 27.5-147.9-138.8 149.3 4.1 40.2 63.2 127 129 A I E -CD 99 306B 0 179,-3.2 179,-1.8 -2,-0.3 2,-0.4 -0.970 23.5-165.8-112.8 121.0 3.4 38.0 60.3 128 130 A F E +CD 98 305B 4 -30,-2.6 -30,-2.5 -2,-0.5 177,-0.2 -0.918 60.5 27.1-112.1 134.6 -0.3 37.2 59.8 129 131 A G S S+ 0 0 14 175,-2.6 2,-0.4 -2,-0.4 -1,-0.2 0.551 92.0 93.1 102.0 8.9 -1.8 34.5 57.6 130 132 A S - 0 0 3 174,-0.3 2,-1.0 -3,-0.2 -1,-0.1 -0.923 44.5-170.6-142.3 115.8 0.9 31.9 57.4 131 133 A D + 0 0 99 -2,-0.4 3,-0.1 173,-0.1 -3,-0.0 -0.746 51.6 113.6-102.0 82.4 1.4 28.8 59.6 132 134 A S S > S- 0 0 14 -2,-1.0 4,-1.6 1,-0.1 3,-0.3 -0.965 77.5-113.3-148.8 163.5 4.8 27.7 58.4 133 135 A P H > S+ 0 0 28 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.909 114.5 62.9 -63.7 -40.2 8.5 27.3 59.4 134 136 A E H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.860 104.3 46.2 -51.3 -42.2 9.4 30.1 57.0 135 137 A A H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.897 110.3 52.2 -71.0 -41.4 7.3 32.5 59.0 136 138 A D H X S+ 0 0 1 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.919 114.1 45.4 -59.3 -42.7 8.7 31.4 62.3 137 139 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.887 108.1 54.1 -69.8 -43.1 12.2 31.9 60.9 138 140 A E H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.934 108.6 49.7 -58.9 -46.8 11.7 35.3 59.2 139 141 A V H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.936 114.5 44.1 -58.4 -47.0 10.4 36.8 62.5 140 142 A I H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.906 112.3 52.9 -65.5 -40.6 13.4 35.5 64.4 141 143 A A H X S+ 0 0 4 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.931 108.5 51.1 -59.2 -45.8 15.8 36.6 61.6 142 144 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.887 108.5 51.1 -58.2 -42.1 14.3 40.1 61.8 143 145 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.905 112.0 46.7 -63.2 -42.2 14.8 40.2 65.6 144 146 A S H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.923 110.0 53.6 -63.9 -46.8 18.5 39.2 65.2 145 147 A S H X S+ 0 0 19 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.924 109.5 48.4 -54.2 -47.1 18.9 41.7 62.4 146 148 A I H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.918 112.6 47.8 -62.6 -43.6 17.6 44.4 64.6 147 149 A L H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 6,-0.2 0.893 114.6 46.3 -65.0 -39.1 19.9 43.4 67.5 148 150 A D H ><>S+ 0 0 60 -4,-3.1 3,-1.9 4,-0.2 5,-0.5 0.935 111.1 50.5 -69.0 -44.7 22.9 43.2 65.3 149 151 A R H 3<5S+ 0 0 91 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.690 103.2 61.4 -67.4 -16.9 22.2 46.6 63.6 150 152 A L T 3<5S- 0 0 1 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.528 122.4-108.3 -83.5 -6.6 21.9 48.1 67.0 151 153 A G T < 5S+ 0 0 23 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.2 0.629 91.2 117.5 87.5 16.0 25.5 47.1 67.6 152 154 A L T > < + 0 0 1 -5,-2.2 3,-1.5 -6,-0.2 4,-0.5 0.205 32.4 130.6-100.3 13.4 24.3 44.5 70.1 153 155 A Q T 3 < + 0 0 77 -5,-0.5 -8,-0.0 1,-0.2 -5,-0.0 -0.359 68.6 30.3 -63.7 150.1 25.7 41.5 68.1 154 156 A D T 3 S+ 0 0 143 2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.203 106.3 74.7 85.3 -15.7 27.8 39.1 70.3 155 157 A I S < S+ 0 0 13 -3,-1.5 123,-3.1 123,-0.1 124,-0.4 0.564 88.2 61.4-104.6 -8.9 25.8 39.9 73.5 156 158 A Y E -E 277 0B 30 -4,-0.5 2,-0.4 121,-0.2 -2,-0.3 -0.841 56.3-161.9-120.7 157.1 22.6 37.9 72.8 157 159 A E E -E 276 0B 18 119,-2.1 119,-3.0 -2,-0.3 2,-0.4 -0.995 23.4-126.7-136.6 126.0 21.7 34.3 72.1 158 160 A I E -E 275 0B 9 -2,-0.4 98,-2.7 95,-0.2 2,-0.5 -0.603 28.0-172.6 -76.0 126.9 18.4 33.1 70.5 159 161 A R E -Ef 274 256B 33 115,-2.7 115,-1.9 -2,-0.4 2,-0.3 -0.985 2.8-173.4-123.5 126.2 16.6 30.6 72.7 160 162 A I E +Ef 273 257B 0 96,-2.8 98,-2.5 -2,-0.5 2,-0.3 -0.804 11.0 165.2-118.5 159.0 13.6 28.8 71.4 161 163 A N E -E 272 0B 0 111,-2.1 111,-1.7 -2,-0.3 2,-0.3 -0.817 21.1-136.5-150.6-173.3 11.0 26.4 72.9 162 164 A S E > -E 271 0B 0 -2,-0.3 4,-2.9 109,-0.2 109,-0.2 -0.968 16.2-140.4-159.5 141.5 7.6 25.1 71.9 163 165 A R H > S+ 0 0 57 107,-1.4 4,-2.5 -2,-0.3 5,-0.2 0.949 110.4 48.2 -64.9 -49.2 4.2 24.4 73.4 164 166 A K H > S+ 0 0 98 105,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.887 113.6 50.0 -57.3 -39.9 3.7 21.2 71.4 165 167 A I H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.955 110.6 47.3 -63.8 -52.3 7.3 20.2 72.5 166 168 A X H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.841 111.9 51.7 -59.9 -34.6 6.7 20.9 76.2 167 169 A E H X S+ 0 0 75 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.923 110.3 46.9 -69.5 -44.0 3.4 19.0 76.0 168 170 A E H X S+ 0 0 68 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.943 116.8 44.3 -61.7 -47.9 4.9 15.9 74.4 169 171 A I H < S+ 0 0 15 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.890 119.7 40.4 -65.6 -42.1 7.8 15.9 76.9 170 172 A I H >X S+ 0 0 0 -4,-2.4 3,-2.5 -5,-0.2 4,-1.7 0.936 111.6 55.3 -73.2 -46.7 5.7 16.5 80.0 171 173 A G H 3< S+ 0 0 43 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 103.9 57.6 -56.2 -27.4 2.8 14.2 78.9 172 174 A G T 3< S+ 0 0 58 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.515 111.5 40.9 -81.8 -4.4 5.4 11.5 78.6 173 175 A X T <4 S+ 0 0 39 -3,-2.5 33,-0.4 1,-0.4 2,-0.3 0.583 126.0 12.3-114.1 -20.6 6.4 11.9 82.3 174 176 A T < - 0 0 19 -4,-1.7 -1,-0.4 2,-0.1 30,-0.1 -0.991 50.7-144.6-155.4 156.5 3.1 12.4 83.9 175 177 A S S S+ 0 0 129 -2,-0.3 -4,-0.1 29,-0.1 29,-0.1 0.568 74.8 96.3 -99.0 -12.2 -0.6 12.1 83.2 176 178 A S S S- 0 0 52 27,-0.3 -2,-0.1 1,-0.2 5,-0.1 -0.221 97.5 -58.6 -72.5 168.1 -1.6 15.2 85.3 177 179 A D >> - 0 0 94 1,-0.1 3,-1.6 2,-0.1 4,-0.6 -0.272 44.7-143.7 -53.8 118.9 -2.1 18.6 83.8 178 180 A P H >> S+ 0 0 29 0, 0.0 4,-1.8 0, 0.0 3,-1.5 0.842 95.5 63.2 -50.5 -44.2 1.1 19.8 82.0 179 181 A F H 3> S+ 0 0 51 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.741 91.6 64.3 -59.2 -24.0 0.7 23.4 83.0 180 182 A S H <> S+ 0 0 47 -3,-1.6 4,-1.0 1,-0.2 -1,-0.3 0.856 109.0 41.9 -67.7 -31.1 1.0 22.5 86.6 181 183 A V H < S+ 0 0 9 -4,-1.0 3,-2.1 1,-0.2 4,-0.3 0.958 112.1 50.2 -59.1 -51.9 7.3 24.8 88.5 185 187 A I H >< S+ 0 0 2 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.842 105.9 59.5 -54.4 -32.4 9.7 25.1 85.6 186 188 A D H 3< S+ 0 0 58 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.714 103.5 50.4 -69.5 -21.3 8.6 28.7 85.7 187 189 A R T XX S+ 0 0 88 -3,-2.1 4,-2.5 -4,-0.7 3,-1.8 0.296 78.3 107.6 -98.0 7.2 9.9 29.0 89.3 188 190 A Y T <4 S+ 0 0 37 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.799 82.5 42.4 -55.5 -34.4 13.3 27.4 88.4 189 191 A H T 34 S+ 0 0 95 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.352 118.0 47.3 -95.7 5.4 15.2 30.7 88.7 190 192 A K T <4 S+ 0 0 144 -3,-1.8 -2,-0.2 2,-0.1 -1,-0.1 0.746 105.8 49.2-113.3 -38.6 13.3 31.7 91.9 191 193 A I S < S- 0 0 38 -4,-2.5 2,-0.2 1,-0.1 0, 0.0 -0.242 91.5 -82.1 -94.8-174.6 13.3 28.7 94.2 192 194 A S > - 0 0 55 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.545 30.4-119.2 -89.6 156.4 16.1 26.4 95.4 193 195 A R H > S+ 0 0 137 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.826 118.7 49.2 -61.2 -31.0 17.4 23.4 93.5 194 196 A E H > S+ 0 0 151 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.881 112.5 45.4 -74.9 -40.2 16.3 21.3 96.4 195 197 A E H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.798 108.3 59.0 -72.6 -30.4 12.8 22.8 96.5 196 198 A F H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.938 106.0 47.5 -63.3 -48.6 12.5 22.5 92.8 197 199 A V H X S+ 0 0 28 -4,-1.4 4,-2.9 1,-0.2 5,-0.2 0.935 109.0 53.8 -59.1 -49.3 13.0 18.7 92.9 198 200 A D H X S+ 0 0 79 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.912 110.7 47.2 -52.8 -45.4 10.4 18.4 95.7 199 201 A Q H >X S+ 0 0 42 -4,-2.0 4,-0.8 2,-0.2 3,-0.6 0.909 112.2 48.5 -65.0 -43.0 7.9 20.2 93.6 200 202 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.0 1,-0.2 3,-0.5 0.876 112.8 49.8 -64.1 -36.1 8.6 18.2 90.5 201 203 A R H ><5S+ 0 0 114 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.615 103.8 59.3 -78.9 -11.7 8.4 15.0 92.6 202 204 A S H <<5S+ 0 0 106 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.665 96.3 63.1 -87.5 -17.9 5.0 16.2 94.0 203 205 A A T <<5S- 0 0 20 -4,-0.8 -27,-0.3 -3,-0.5 -1,-0.2 0.119 125.4 -95.8 -92.5 20.5 3.5 16.3 90.5 204 206 A G T < 5S+ 0 0 60 -3,-0.6 2,-0.5 1,-0.2 -3,-0.2 0.778 76.1 145.6 73.6 29.0 4.0 12.6 90.0 205 207 A I < - 0 0 8 -5,-1.0 -1,-0.2 -31,-0.1 -31,-0.1 -0.863 42.0-133.4-103.6 129.5 7.3 12.7 88.2 206 208 A G > - 0 0 42 -2,-0.5 4,-2.9 -33,-0.4 5,-0.2 -0.177 32.7 -99.5 -71.8 170.0 9.9 9.9 88.7 207 209 A E H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.784 123.0 69.0 -58.4 -24.7 13.6 10.5 89.3 208 210 A D H > S+ 0 0 147 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.984 110.2 24.9 -53.6 -70.8 13.7 9.8 85.6 209 211 A G H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.823 116.6 64.4 -70.4 -32.1 11.9 12.9 84.4 210 212 A V H X S+ 0 0 6 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.887 105.2 47.0 -58.7 -37.4 12.9 14.9 87.4 211 213 A S H X S+ 0 0 79 -4,-1.9 4,-2.1 -3,-0.3 -1,-0.2 0.873 111.2 49.2 -72.2 -39.2 16.6 14.5 86.3 212 214 A X H X S+ 0 0 60 -4,-1.3 4,-3.2 2,-0.2 -2,-0.2 0.891 112.0 49.4 -68.4 -39.6 16.0 15.4 82.7 213 215 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.951 111.4 47.3 -65.0 -49.3 14.0 18.5 83.7 214 216 A A H X S+ 0 0 13 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.913 116.7 45.3 -59.0 -42.1 16.6 19.8 86.1 215 217 A D H >X S+ 0 0 70 -4,-2.1 4,-1.4 1,-0.2 3,-1.2 0.979 112.7 49.9 -63.6 -56.2 19.3 19.1 83.5 216 218 A L H 3< S+ 0 0 3 -4,-3.2 43,-0.6 1,-0.3 44,-0.4 0.802 112.0 48.1 -51.8 -37.0 17.3 20.8 80.7 217 219 A C H 3< S+ 0 0 9 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.702 107.4 57.9 -78.8 -19.8 16.7 23.9 82.8 218 220 A S H << S+ 0 0 63 -3,-1.2 2,-0.3 -4,-1.0 -2,-0.2 0.745 118.6 13.9 -81.7 -25.4 20.3 24.1 83.8 219 221 A G S < S- 0 0 33 -4,-1.4 40,-0.3 -5,-0.1 -1,-0.2 -0.999 74.4-113.5-153.0 150.4 21.6 24.3 80.2 220 222 A T - 0 0 27 -2,-0.3 2,-0.3 38,-0.1 38,-0.2 -0.442 31.4-150.7 -79.1 156.0 20.5 24.9 76.7 221 223 A R B -G 257 0B 67 36,-2.5 36,-3.4 -2,-0.1 2,-0.1 -0.834 18.2-106.9-124.2 162.5 20.6 22.2 74.1 222 224 A G > - 0 0 6 -2,-0.3 4,-1.0 34,-0.2 34,-0.1 -0.498 36.0-111.1 -82.2 160.0 21.1 22.1 70.3 223 225 A I H > S+ 0 0 3 32,-0.3 4,-0.7 1,-0.2 3,-0.2 0.850 116.7 59.5 -60.0 -31.0 18.0 21.2 68.3 224 226 A D H >> S+ 0 0 125 1,-0.2 3,-1.5 2,-0.2 4,-0.6 0.992 96.5 54.4 -56.6 -72.8 19.8 17.9 67.5 225 227 A E H 3> S+ 0 0 57 1,-0.3 4,-3.3 2,-0.2 3,-0.4 0.706 96.1 73.5 -34.0 -35.3 20.3 16.5 70.9 226 228 A X H 3X S+ 0 0 0 -4,-1.0 4,-2.4 1,-0.2 6,-0.4 0.900 86.4 56.5 -53.4 -52.8 16.6 16.8 71.5 227 229 A A H <<>S+ 0 0 31 -3,-1.5 5,-1.1 -4,-0.7 -1,-0.2 0.893 120.1 33.8 -47.8 -42.9 15.3 14.0 69.4 228 230 A R H ><5S+ 0 0 182 -4,-0.6 3,-1.3 -3,-0.4 -2,-0.2 0.908 112.1 57.4 -81.5 -46.3 17.6 11.6 71.4 229 231 A I H 3<5S+ 0 0 32 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.831 118.9 35.4 -55.5 -32.3 17.4 13.3 74.9 230 232 A T T 3<5S- 0 0 27 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.377 107.2-130.5-101.0 1.1 13.6 12.8 74.7 231 233 A G T < 5S+ 0 0 64 -3,-1.3 2,-0.3 -5,-0.3 -3,-0.2 0.662 72.7 98.1 59.3 19.3 13.9 9.5 72.8 232 234 A K < - 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