==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 26-APR-07 2YXN . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.OKI,T.KOBAYASHI,K.SAKAMOTO,S.YOKOYAMA,RIKEN STRUCTURAL . 323 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 12 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 2 1 1 1 1 0 0 1 3 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 202 0, 0.0 27,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 15.3 24.9 13.2 38.8 2 2 A A - 0 0 71 25,-0.1 2,-0.4 1,-0.1 28,-0.3 -0.237 360.0-143.8 -58.4 156.4 22.8 15.6 40.8 3 3 A S - 0 0 67 27,-0.1 24,-0.2 26,-0.1 2,-0.2 -0.989 2.6-134.6-132.1 135.1 19.3 16.0 39.4 4 4 A S - 0 0 25 22,-2.4 4,-0.2 -2,-0.4 3,-0.2 -0.552 4.1-150.7 -82.3 151.8 16.9 19.0 39.2 5 5 A N S > S+ 0 0 88 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 0.336 71.8 101.9-101.3 5.1 13.2 18.6 40.2 6 6 A L H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.891 81.2 46.4 -57.3 -45.7 12.1 21.4 37.8 7 7 A I H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 113.2 51.0 -66.3 -39.6 10.8 19.0 35.1 8 8 A K H > S+ 0 0 99 -4,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.919 109.7 50.6 -60.3 -44.3 9.0 17.0 37.8 9 9 A Q H X S+ 0 0 97 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.884 111.3 46.8 -62.5 -40.2 7.5 20.2 39.1 10 10 A L H ><>S+ 0 0 5 -4,-2.2 5,-2.4 1,-0.2 3,-0.7 0.866 108.4 57.6 -69.7 -34.7 6.2 21.2 35.7 11 11 A Q H ><5S+ 0 0 68 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.927 101.4 54.6 -61.2 -43.5 4.9 17.7 35.1 12 12 A E H 3<5S+ 0 0 106 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.724 105.6 53.1 -64.8 -17.3 2.7 18.0 38.2 13 13 A R T <<5S- 0 0 28 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.500 117.5-117.9 -90.6 -3.5 1.2 21.1 36.8 14 14 A G T < 5S+ 0 0 37 -3,-2.1 -3,-0.2 -4,-0.3 -2,-0.1 0.732 78.1 127.4 74.9 24.8 0.5 19.1 33.6 15 15 A L < + 0 0 1 -5,-2.4 2,-0.6 -6,-0.1 -4,-0.2 0.415 45.5 80.1 -96.0 2.0 2.8 21.4 31.6 16 16 A V + 0 0 25 -6,-0.3 209,-0.2 -5,-0.2 3,-0.1 -0.907 40.5 163.1-113.6 106.9 5.1 18.9 29.9 17 17 A A S S- 0 0 52 207,-2.9 2,-0.3 -2,-0.6 208,-0.2 0.920 74.8 -1.6 -82.5 -50.4 3.6 17.1 26.9 18 18 A Q E +A 224 0A 79 206,-1.0 206,-2.6 2,-0.0 -1,-0.4 -0.982 64.7 178.4-140.7 149.2 6.9 15.8 25.5 19 19 A V E -A 223 0A 31 -2,-0.3 3,-0.5 204,-0.2 2,-0.3 -0.969 26.3-122.9-155.5 136.5 10.5 16.0 26.6 20 20 A T S S- 0 0 15 202,-2.2 5,-0.3 -2,-0.3 202,-0.1 -0.654 86.0 -18.8 -82.7 133.3 13.8 14.6 25.2 21 21 A D S > S- 0 0 100 -2,-0.3 4,-2.7 1,-0.1 -1,-0.2 0.871 72.4-171.0 36.0 63.7 16.0 12.5 27.6 22 22 A E H > S+ 0 0 67 -3,-0.5 4,-3.0 1,-0.2 5,-0.2 0.856 80.2 52.3 -50.8 -43.0 14.3 13.8 30.7 23 23 A E H > S+ 0 0 156 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.948 113.1 44.0 -61.1 -48.8 16.8 12.1 33.0 24 24 A A H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.865 114.0 50.8 -64.1 -39.1 19.7 13.7 31.2 25 25 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 0.950 108.3 51.6 -64.3 -48.7 17.9 17.1 31.0 26 26 A A H X S+ 0 0 5 -4,-3.0 -22,-2.4 1,-0.2 4,-1.2 0.867 110.6 49.5 -57.6 -35.2 17.2 17.1 34.7 27 27 A E H X S+ 0 0 72 -4,-1.7 4,-1.0 -24,-0.2 3,-0.3 0.922 110.7 49.3 -70.1 -42.6 20.9 16.3 35.4 28 28 A R H >X S+ 0 0 73 -4,-2.3 3,-0.7 1,-0.2 4,-0.7 0.891 107.4 55.1 -63.0 -38.5 22.0 19.2 33.2 29 29 A L H 3< S+ 0 0 7 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.824 103.6 56.0 -66.0 -27.6 19.6 21.5 34.9 30 30 A A H 3< S+ 0 0 40 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.753 92.0 72.1 -74.1 -23.8 21.2 20.7 38.2 31 31 A Q H << S- 0 0 147 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.834 117.1 -71.2 -60.0 -34.9 24.7 21.7 37.0 32 32 A G S < S- 0 0 25 -4,-0.7 -1,-0.2 -3,-0.5 34,-0.0 -0.935 74.6 -32.2 160.7 178.8 23.7 25.4 37.0 33 33 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 33,-0.2 -0.361 59.9-162.0 -60.4 139.8 21.6 28.0 35.3 34 34 A I - 0 0 7 -5,-0.1 33,-3.5 85,-0.0 2,-0.4 -0.812 20.5-117.5-118.3 162.4 21.2 27.3 31.5 35 35 A A E +bc 67 192A 11 156,-0.6 158,-2.1 -2,-0.3 159,-0.6 -0.830 40.6 173.8 -94.2 135.3 20.2 29.5 28.6 36 36 A L E -bc 68 194A 0 31,-2.5 33,-1.9 -2,-0.4 2,-0.3 -0.877 15.6-142.5-135.2 168.2 17.0 28.2 27.0 37 37 A V E -bc 69 195A 0 157,-2.1 159,-2.8 -2,-0.3 2,-0.4 -0.971 15.6-176.6-137.4 151.5 14.7 29.6 24.3 38 38 A C E -b 70 0A 2 31,-1.8 33,-2.3 -2,-0.3 2,-0.3 -0.978 22.4-152.8-138.2 138.0 11.0 29.8 23.4 39 39 A G E -b 71 0A 7 157,-0.5 2,-0.4 -2,-0.4 33,-0.2 -0.863 12.6-167.8-120.0 156.6 10.0 31.4 20.1 40 40 A F E -b 72 0A 8 31,-2.4 33,-2.6 -2,-0.3 37,-0.1 -0.999 16.6-138.3-137.4 133.3 7.0 33.2 18.7 41 41 A D - 0 0 12 -2,-0.4 2,-2.1 31,-0.2 3,-0.3 -0.704 23.6-118.2 -94.4 142.7 6.2 34.1 15.1 42 42 A P + 0 0 0 0, 0.0 59,-0.1 0, 0.0 58,-0.1 -0.495 57.7 144.4 -78.7 76.2 4.7 37.5 14.0 43 43 A T S S+ 0 0 74 -2,-2.1 2,-0.3 3,-0.1 47,-0.1 0.584 76.0 5.2 -86.5 -15.4 1.5 36.1 12.6 44 44 A A S S- 0 0 19 -3,-0.3 60,-0.1 2,-0.1 -1,-0.1 -0.898 89.3 -92.7-154.3 176.8 -0.3 39.2 13.9 45 45 A D S S+ 0 0 37 -2,-0.3 2,-0.3 -3,-0.1 52,-0.0 0.297 109.2 29.0 -84.3 12.6 0.6 42.5 15.6 46 46 A S S S- 0 0 2 201,-0.0 2,-0.2 61,-0.0 -3,-0.1 -0.980 79.3-116.5-161.3 158.6 0.0 40.8 19.0 47 47 A L - 0 0 1 -2,-0.3 199,-2.4 57,-0.1 200,-0.5 -0.532 33.5-155.1 -91.0 168.0 0.2 37.4 20.7 48 48 A H B >> -F 245 0B 56 197,-0.3 3,-2.6 -2,-0.2 4,-0.5 -0.772 38.6 -74.9-135.1-177.9 -3.1 35.9 22.0 49 49 A L H >> S+ 0 0 2 195,-2.0 3,-0.8 1,-0.3 4,-0.5 0.742 121.5 69.0 -54.4 -24.9 -4.1 33.4 24.7 50 50 A G H 34 S+ 0 0 46 1,-0.2 -1,-0.3 187,-0.2 178,-0.1 0.736 103.5 44.6 -66.8 -19.3 -2.9 30.5 22.6 51 51 A H H <> S+ 0 0 51 -3,-2.6 4,-1.7 1,-0.1 -1,-0.2 0.519 91.2 87.5-100.0 -6.7 0.7 31.7 23.1 52 52 A L H S+ 0 0 12 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.922 114.7 51.7 -61.3 -40.8 4.6 28.6 26.5 55 55 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.924 112.3 44.4 -59.8 -46.7 5.4 32.3 27.4 56 56 A L H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.861 108.5 58.4 -68.7 -31.0 4.6 31.7 31.1 57 57 A C H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.869 101.8 54.3 -65.4 -32.7 6.6 28.5 31.0 58 58 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.930 109.4 48.5 -63.9 -42.2 9.7 30.5 29.9 59 59 A K H X S+ 0 0 45 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.843 105.5 57.8 -65.1 -34.5 9.1 32.7 33.0 60 60 A R H X S+ 0 0 19 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.903 107.0 49.0 -63.7 -38.2 8.8 29.5 35.1 61 61 A F H <>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 3,-0.4 0.916 109.7 50.5 -68.4 -40.2 12.3 28.5 33.9 62 62 A Q H ><5S+ 0 0 14 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.907 105.6 56.7 -64.5 -37.9 13.7 32.0 34.7 63 63 A Q H 3<5S+ 0 0 123 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.818 102.3 55.8 -62.0 -28.3 12.2 31.8 38.2 64 64 A A T 3<5S- 0 0 52 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.339 132.0 -95.7 -83.6 5.9 14.1 28.6 38.7 65 65 A G T < 5S+ 0 0 24 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.386 82.2 130.4 100.2 -3.4 17.3 30.6 37.9 66 66 A H < - 0 0 8 -5,-2.1 -1,-0.3 -33,-0.2 -31,-0.2 -0.338 59.6-111.3 -83.0 164.2 17.7 29.8 34.2 67 67 A K E -b 35 0A 50 -33,-3.5 -31,-2.5 -2,-0.1 2,-0.4 -0.880 28.6-147.6-103.6 116.2 18.2 32.4 31.5 68 68 A P E -b 36 0A 0 0, 0.0 54,-2.0 0, 0.0 2,-0.6 -0.650 7.0-161.0 -87.6 132.3 15.4 32.9 29.0 69 69 A V E -bd 37 122A 1 -33,-1.9 -31,-1.8 -2,-0.4 2,-0.9 -0.959 10.7-155.3-108.6 117.0 15.9 33.9 25.3 70 70 A A E -bd 38 123A 3 52,-2.7 54,-2.3 -2,-0.6 2,-0.4 -0.832 14.0-163.8 -97.4 101.7 12.7 35.3 23.9 71 71 A L E -bd 39 124A 0 -33,-2.3 -31,-2.4 -2,-0.9 2,-0.5 -0.735 10.5-166.1 -91.9 130.4 12.9 34.7 20.2 72 72 A V E -bd 40 125A 5 52,-2.6 2,-2.0 -2,-0.4 54,-1.0 -0.961 25.2-127.7-113.3 127.1 10.6 36.6 17.7 73 73 A G > + 0 0 0 -33,-2.6 4,-2.7 -2,-0.5 5,-0.2 -0.393 41.2 159.5 -77.7 68.8 10.5 35.1 14.2 74 74 A G T 4 S+ 0 0 4 -2,-2.0 -1,-0.2 1,-0.2 27,-0.1 0.801 86.4 29.0 -58.8 -27.4 11.3 38.0 11.9 75 75 A A T >4 S+ 0 0 9 -3,-0.2 3,-2.0 2,-0.1 4,-0.2 0.853 119.8 50.9 -97.6 -48.6 12.3 35.6 9.3 76 76 A T G >> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 3,-1.5 0.804 102.7 62.7 -62.9 -27.7 10.2 32.5 10.1 77 77 A G G 3< S+ 0 0 13 -4,-2.7 15,-0.4 1,-0.3 -1,-0.3 0.569 98.0 57.8 -72.7 -8.5 7.1 34.7 10.1 78 78 A L G <4 S+ 0 0 29 -3,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.443 114.8 36.7 -96.1 -1.5 7.7 35.4 6.5 79 79 A I T <4 S- 0 0 41 -3,-1.5 -2,-0.2 -4,-0.2 10,-0.2 0.775 102.5-129.2-113.8 -55.0 7.6 31.7 5.7 80 80 A G < - 0 0 9 -4,-2.6 95,-0.2 8,-0.1 -3,-0.1 0.432 10.6-110.0 102.8 122.8 4.8 30.2 7.9 81 81 A D - 0 0 0 1,-0.1 92,-0.1 94,-0.1 91,-0.1 -0.735 25.5-171.6 -84.1 115.6 4.9 27.2 10.2 82 82 A P > + 0 0 6 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.489 33.6 141.7 -85.1 -1.9 2.7 24.4 8.7 83 83 A S T 3 S- 0 0 4 1,-0.3 74,-0.2 74,-0.0 3,-0.1 -0.177 85.7 -21.1 -51.2 115.3 2.9 22.2 11.8 84 84 A F T 3 S+ 0 0 101 72,-2.4 2,-0.3 1,-0.2 -1,-0.3 0.726 103.7 136.8 54.3 29.0 -0.5 20.5 12.3 85 85 A K < - 0 0 75 -3,-2.5 -1,-0.2 71,-0.4 75,-0.1 -0.804 52.2-144.5-102.1 144.9 -2.2 23.2 10.2 86 86 A A S S+ 0 0 67 -2,-0.3 81,-0.3 1,-0.1 2,-0.3 0.831 78.1 17.9 -78.9 -30.4 -4.8 22.3 7.6 87 87 A A S S- 0 0 64 79,-0.1 -1,-0.1 1,-0.1 81,-0.1 -0.917 95.0 -70.6-140.7 163.7 -3.9 24.9 5.0 88 88 A E - 0 0 84 -2,-0.3 2,-0.2 79,-0.1 -1,-0.1 -0.139 51.7-117.6 -50.1 144.4 -1.2 27.3 4.0 89 89 A R - 0 0 58 -10,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.542 38.1 -93.1 -81.6 152.6 -0.6 30.3 6.3 90 90 A K - 0 0 173 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.447 37.4-128.7 -66.3 136.6 -1.2 33.8 4.9 91 91 A L - 0 0 113 -2,-0.1 2,-0.2 -3,-0.0 -13,-0.1 -0.792 26.6-162.7 -89.3 120.8 2.0 35.3 3.5 92 92 A N - 0 0 34 -2,-0.6 2,-0.1 -15,-0.4 -49,-0.0 -0.644 23.9 -97.3 -99.4 160.9 2.5 38.8 4.9 93 93 A T > - 0 0 75 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.379 25.8-116.5 -77.6 156.5 4.8 41.4 3.4 94 94 A E H > S+ 0 0 96 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.926 114.7 52.5 -54.1 -48.1 8.3 42.1 4.7 95 95 A E H > S+ 0 0 128 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.906 111.7 44.1 -57.9 -45.1 7.3 45.7 5.7 96 96 A T H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 112.2 51.0 -69.0 -42.3 4.4 44.5 7.8 97 97 A V H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.923 107.0 54.4 -64.0 -40.0 6.1 41.6 9.5 98 98 A Q H X S+ 0 0 109 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.888 109.7 48.3 -62.0 -35.2 9.1 43.8 10.6 99 99 A E H X S+ 0 0 109 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.936 111.9 48.6 -68.7 -44.8 6.6 46.2 12.2 100 100 A W H X S+ 0 0 55 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.847 103.4 62.0 -63.8 -34.9 4.8 43.3 14.0 101 101 A V H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.941 104.4 47.6 -54.9 -48.5 8.1 41.9 15.2 102 102 A D H X S+ 0 0 52 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.883 111.5 50.9 -62.9 -38.3 8.8 45.1 17.2 103 103 A K H X S+ 0 0 86 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.926 112.6 44.9 -66.7 -44.3 5.3 45.1 18.7 104 104 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.926 110.1 54.4 -66.0 -42.8 5.5 41.5 19.8 105 105 A R H X S+ 0 0 88 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.942 111.4 46.7 -55.0 -45.9 9.1 42.0 21.2 106 106 A K H < S+ 0 0 137 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.834 111.4 50.7 -66.0 -32.6 7.7 44.9 23.3 107 107 A Q H < S+ 0 0 30 -4,-1.7 -1,-0.2 1,-0.2 4,-0.2 0.826 111.4 48.3 -73.5 -33.1 4.7 42.8 24.4 108 108 A V H >< S+ 0 0 4 -4,-2.4 3,-2.0 1,-0.2 4,-0.5 0.874 95.0 75.2 -74.2 -39.6 6.8 39.9 25.6 109 109 A A G >< S+ 0 0 33 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.821 87.0 57.2 -43.7 -51.9 9.3 42.0 27.5 110 110 A P G 3 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.703 99.3 63.3 -58.0 -19.2 7.2 42.8 30.6 111 111 A F G < S+ 0 0 10 -3,-2.0 2,-0.3 -4,-0.2 -2,-0.2 0.689 105.0 47.5 -79.0 -19.5 6.7 39.0 31.2 112 112 A L S < S- 0 0 12 -3,-1.9 2,-0.6 -4,-0.5 8,-0.1 -0.787 85.8-111.8-120.4 162.6 10.4 38.4 31.8 113 113 A D + 0 0 75 -2,-0.3 8,-2.7 6,-0.2 3,-0.3 -0.864 28.2 175.2 -99.4 118.7 13.1 40.0 33.9 114 114 A F S S+ 0 0 83 -2,-0.6 6,-0.1 6,-0.3 -1,-0.1 0.308 77.9 52.7 -99.4 4.7 15.8 41.7 31.8 115 115 A D S S+ 0 0 147 1,-0.1 -1,-0.2 4,-0.1 3,-0.1 -0.396 71.9 101.5-140.0 59.4 17.5 43.1 34.9 116 116 A C S > S- 0 0 42 1,-0.5 3,-0.7 -3,-0.3 -1,-0.1 -0.197 85.6 -97.7-133.7 42.5 18.2 40.3 37.4 117 117 A G G > S- 0 0 41 1,-0.2 3,-1.9 2,-0.1 -1,-0.5 -0.403 86.3 -10.2 79.8-154.5 21.9 39.5 36.9 118 118 A E G 3 S+ 0 0 180 1,-0.3 -1,-0.2 -2,-0.1 -51,-0.0 0.672 132.2 55.8 -61.7 -19.6 23.3 36.7 34.8 119 119 A N G < S+ 0 0 33 -3,-0.7 -1,-0.3 -52,-0.1 -6,-0.2 0.131 78.8 139.4 -98.2 24.0 20.0 35.0 34.2 120 120 A S < - 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0 0 0 -4,-1.4 27,-0.0 -5,-0.2 31,-0.0 -0.816 66.7-128.7-129.7 173.2 -0.8 31.0 37.3 277 277 A F + 0 0 55 -2,-0.3 2,-0.1 2,-0.0 -4,-0.1 0.149 63.0 129.4-105.5 16.6 2.2 30.8 39.7 278 278 A M - 0 0 13 -6,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.433 67.6-103.2 -66.4 146.3 0.1 29.6 42.6 279 279 A S > - 0 0 51 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.334 21.4-117.3 -71.6 155.5 1.6 26.5 44.2 280 280 A I H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.861 116.4 56.2 -58.4 -35.6 0.1 23.1 43.5 281 281 A E H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 108.5 45.6 -63.4 -45.1 -0.7 22.8 47.2 282 282 A E H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.891 113.8 48.5 -67.4 -38.2 -2.7 26.0 47.2 283 283 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.920 111.3 50.4 -68.3 -42.1 -4.6 25.1 44.0 284 284 A N H X S+ 0 0 72 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.902 111.2 49.0 -61.7 -37.6 -5.4 21.7 45.4 285 285 A A H X S+ 0 0 60 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.836 109.1 53.0 -69.7 -33.9 -6.7 23.3 48.6 286 286 A L H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.910 107.8 50.3 -69.0 -40.1 -8.8 25.7 46.6 287 287 A E H X S+ 0 0 82 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.949 113.3 45.9 -63.2 -43.3 -10.4 22.8 44.7 288 288 A E H X S+ 0 0 92 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.912 111.6 52.7 -63.4 -43.3 -11.2 21.0 48.0 289 289 A E H X S+ 0 0 83 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.924 110.4 46.7 -58.6 -46.0 -12.5 24.3 49.5 290 290 A D H X S+ 0 0 18 -4,-2.6 4,-0.5 1,-0.2 3,-0.4 0.829 107.3 59.4 -66.6 -31.1 -14.8 24.9 46.5 291 291 A K H < S+ 0 0 138 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.896 117.9 27.9 -64.2 -41.1 -16.0 21.3 46.7 292 292 A N H < S+ 0 0 113 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.248 98.0 88.7-107.9 14.3 -17.3 21.6 50.3 293 293 A S H < S- 0 0 41 -4,-0.6 -1,-0.1 -3,-0.4 -2,-0.1 0.830 72.3-144.4 -83.5 -32.3 -18.2 25.3 50.6 294 294 A G S < S+ 0 0 85 -4,-0.5 2,-0.2 1,-0.3 -4,-0.1 0.593 71.0 100.9 76.7 7.4 -21.8 25.3 49.4 295 295 A K S S- 0 0 170 -5,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.581 91.1 -72.9-114.0 177.4 -20.9 28.7 47.8 296 296 A A - 0 0 73 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.446 68.2 -91.8 -65.8 149.7 -20.1 29.8 44.3 297 297 A P - 0 0 36 0, 0.0 4,-0.4 0, 0.0 3,-0.2 -0.399 27.5-154.3 -65.6 142.7 -16.5 28.5 43.4 298 298 A R S > S+ 0 0 82 -12,-0.2 4,-1.9 1,-0.2 3,-0.3 0.681 79.8 85.7 -86.9 -20.1 -13.8 31.0 44.2 299 299 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.853 81.7 55.8 -50.6 -45.2 -11.6 29.5 41.6 300 300 A Q H > S+ 0 0 17 1,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.932 113.1 39.0 -61.4 -45.7 -12.9 31.5 38.6 301 301 A Y H > S+ 0 0 105 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.776 113.8 54.9 -78.8 -18.1 -12.2 34.9 40.1 302 302 A V H X S+ 0 0 15 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.932 112.0 45.5 -70.9 -43.5 -8.9 33.8 41.6 303 303 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.4 0.933 113.2 49.5 -60.9 -47.7 -7.9 32.7 38.1 304 304 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.912 113.5 46.3 -60.3 -43.3 -9.2 35.9 36.5 305 305 A E H X S+ 0 0 67 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.933 114.2 47.7 -64.5 -46.9 -7.3 38.0 39.0 306 306 A Q H X S+ 0 0 44 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.950 117.7 38.6 -60.7 -54.2 -4.1 36.1 38.7 307 307 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.905 113.7 54.8 -69.5 -39.1 -3.9 36.0 35.0 308 308 A T H X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.4 5,-0.3 0.918 110.5 46.8 -60.5 -39.8 -5.2 39.5 34.5 309 309 A R H X S+ 0 0 70 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.929 112.0 51.1 -67.4 -42.4 -2.4 40.8 36.8 310 310 A L H < S+ 0 0 52 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.885 121.3 32.7 -59.7 -41.2 0.2 38.8 35.0 311 311 A V H < S+ 0 0 19 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.834 138.9 15.8 -87.7 -36.2 -0.9 40.0 31.6 312 312 A H H X S- 0 0 28 -4,-3.1 4,-1.7 -5,-0.3 -3,-0.2 0.308 97.3-138.9-122.6 6.1 -2.0 43.6 32.3 313 313 A G H X - 0 0 28 -4,-2.2 4,-2.0 -5,-0.3 3,-0.3 0.072 50.3 -44.0 64.2-173.8 -0.5 44.3 35.8 314 314 A E H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.860 136.8 58.3 -59.4 -32.5 -2.2 46.0 38.7 315 315 A E H > S+ 0 0 175 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 107.9 44.9 -64.7 -41.9 -3.5 48.7 36.4 316 316 A G H X S+ 0 0 4 -4,-1.7 4,-1.4 -3,-0.3 -1,-0.2 0.863 109.4 55.3 -69.4 -36.1 -5.4 46.3 34.2 317 317 A L H < S+ 0 0 16 -4,-2.0 3,-0.3 1,-0.2 4,-0.2 0.926 110.0 47.2 -63.1 -41.7 -6.8 44.4 37.3 318 318 A Q H >< S+ 0 0 112 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.917 109.4 53.3 -63.8 -43.7 -8.1 47.8 38.5 319 319 A A H >< S+ 0 0 37 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.760 95.7 70.1 -62.3 -24.4 -9.6 48.6 35.0 320 320 A A T 3< S+ 0 0 4 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.591 97.8 51.7 -71.1 -8.2 -11.4 45.2 35.1 321 321 A K T < 0 0 124 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.132 360.0 360.0-114.5 18.2 -13.7 46.5 37.8 322 322 A R < 0 0 213 -3,-1.4 -2,-0.2 0, 0.0 -3,-0.1 0.427 360.0 360.0-141.4 360.0 -14.8 49.7 36.1 323 ! 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 0.0 324 501 A X 0 0 34 0, 0.0 -126,-0.4 0, 0.0 -124,-0.1 0.000 360.0 360.0 360.0 360.0 7.0 28.2 16.4