==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-SEP-04 1WQ4 . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI STR. K12 SUBSTR.; . AUTHOR T.KOBAYASHI,K.SAKAMOTO,O.NUREKI,T.TAKIMURA,K.KAMATA,R.SEKINE . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 67.7 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 . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 40.1 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 2 1 0 3 0 1 1 1 0 1 0 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 2 A A 0 0 144 0, 0.0 2,-4.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 80.3 21.3 -2.1 79.3 2 3 A S - 0 0 96 1,-0.2 3,-0.1 6,-0.0 6,-0.1 -0.260 360.0-172.8 -63.3 62.9 23.4 -1.2 76.2 3 4 A S - 0 0 62 -2,-4.1 2,-0.2 1,-0.1 -1,-0.2 0.747 49.4 -73.7 -23.5 -58.8 20.7 -2.7 74.0 4 5 A N > - 0 0 45 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.779 35.2 -92.3 160.5 158.3 22.9 -2.3 70.9 5 6 A L H > S+ 0 0 17 -2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.902 118.9 49.9 -56.5 -50.8 24.4 0.2 68.4 6 7 A I H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 113.2 49.7 -58.1 -41.4 21.7 0.0 65.7 7 8 A K H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 110.1 49.5 -61.3 -46.0 19.1 0.6 68.5 8 9 A Q H X S+ 0 0 69 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.881 111.5 48.0 -63.7 -38.4 21.0 3.6 69.9 9 10 A L H <>S+ 0 0 7 -4,-2.5 5,-2.5 1,-0.2 6,-0.3 0.839 108.0 57.5 -71.0 -30.2 21.4 5.2 66.5 10 11 A Q H ><5S+ 0 0 67 -4,-1.8 3,-2.7 -5,-0.3 5,-0.2 0.948 100.3 55.9 -63.8 -44.7 17.7 4.6 65.9 11 12 A E H 3<5S+ 0 0 97 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.790 105.2 54.1 -55.7 -30.3 16.8 6.6 69.1 12 13 A R T 3<5S- 0 0 29 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.502 116.4-117.7 -81.7 -5.2 18.7 9.4 67.5 13 14 A G T < 5S+ 0 0 37 -3,-2.7 -3,-0.2 -4,-0.2 -2,-0.1 0.774 79.8 126.1 72.3 27.0 16.6 9.1 64.4 14 15 A L < + 0 0 0 -5,-2.5 2,-0.7 -6,-0.1 -4,-0.2 0.394 44.1 82.7 -99.3 3.0 19.8 8.3 62.4 15 16 A V + 0 0 27 -6,-0.3 209,-0.2 -5,-0.2 3,-0.1 -0.899 40.2 163.3-112.1 106.8 18.7 5.0 60.8 16 17 A A S S- 0 0 43 207,-2.8 2,-0.3 -2,-0.7 208,-0.2 0.928 73.6 -8.9 -82.2 -51.9 16.6 5.4 57.7 17 18 A Q E -A 223 0A 74 206,-1.1 206,-2.5 2,-0.0 -1,-0.4 -0.986 61.4-174.5-145.8 152.2 17.0 1.8 56.4 18 19 A V E -A 222 0A 30 -2,-0.3 3,-0.4 204,-0.2 2,-0.4 -0.989 25.1-124.7-151.0 138.7 19.1 -1.2 57.3 19 20 A T S S- 0 0 27 202,-2.4 5,-0.2 -2,-0.3 202,-0.1 -0.729 88.5 -17.4 -85.2 132.1 19.5 -4.6 55.8 20 21 A D S > S- 0 0 88 -2,-0.4 4,-2.5 1,-0.1 -1,-0.3 0.886 70.7-169.3 34.5 71.2 18.7 -7.5 58.1 21 22 A E H > S+ 0 0 63 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.868 82.0 54.4 -53.6 -42.3 18.9 -5.5 61.3 22 23 A E H > S+ 0 0 142 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.946 111.7 43.7 -59.1 -49.2 18.8 -8.7 63.5 23 24 A A H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.859 114.5 50.2 -65.4 -36.2 21.8 -10.2 61.6 24 25 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.922 108.7 51.4 -68.7 -44.7 23.7 -6.9 61.7 25 26 A A H X S+ 0 0 18 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.871 111.2 48.1 -60.4 -39.1 23.2 -6.4 65.4 26 27 A E H X S+ 0 0 119 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.913 110.7 51.6 -68.9 -40.6 24.5 -9.9 66.2 27 28 A R H X S+ 0 0 70 -4,-2.0 4,-0.7 1,-0.2 3,-0.4 0.912 107.5 52.2 -61.8 -41.5 27.5 -9.4 63.9 28 29 A L H < S+ 0 0 14 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.816 106.5 54.3 -65.1 -29.1 28.4 -6.1 65.7 29 30 A A H < S+ 0 0 74 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.792 94.5 69.8 -74.4 -27.6 28.3 -7.9 69.0 30 31 A Q H < S- 0 0 145 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.802 118.7 -71.7 -59.7 -31.2 30.8 -10.5 67.8 31 32 A G S < S- 0 0 22 -4,-0.7 -1,-0.2 -3,-0.5 2,-0.1 -0.944 73.0 -31.5 159.8-177.3 33.5 -7.9 67.8 32 33 A P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 33,-0.1 -0.424 58.6-165.7 -66.9 137.7 34.9 -4.8 66.1 33 34 A I - 0 0 6 -2,-0.1 33,-3.2 -5,-0.1 2,-0.4 -0.810 22.1-116.9-119.3 165.0 34.1 -4.7 62.3 34 35 A A E +bc 66 191A 10 156,-0.5 158,-2.0 -2,-0.3 159,-0.6 -0.846 38.7 177.2 -97.9 135.1 35.5 -2.6 59.5 35 36 A L E -bc 67 193A 0 31,-2.7 33,-2.2 -2,-0.4 2,-0.3 -0.893 13.2-145.0-133.4 165.6 32.8 -0.4 57.8 36 37 A V E -bc 68 194A 2 157,-1.9 159,-2.6 -2,-0.3 2,-0.4 -0.958 15.4-177.1-136.0 151.0 32.9 2.1 55.0 37 38 A C E -b 69 0A 2 31,-1.7 33,-2.2 -2,-0.3 2,-0.3 -0.972 23.3-147.9-139.5 133.4 31.2 5.4 54.0 38 39 A G E -b 70 0A 6 157,-0.5 2,-0.4 -2,-0.4 33,-0.2 -0.775 10.5-165.7-108.2 156.0 32.1 7.0 50.7 39 40 A F E -b 71 0A 3 31,-2.4 33,-2.9 -2,-0.3 37,-0.1 -0.994 13.4-143.1-137.6 126.8 32.3 10.6 49.6 40 41 A D - 0 0 10 -2,-0.4 2,-1.8 31,-0.2 3,-0.2 -0.741 19.7-123.1 -94.7 139.7 32.5 11.8 46.0 41 42 A P + 0 0 0 0, 0.0 59,-0.1 0, 0.0 58,-0.1 -0.558 53.0 146.5 -79.3 80.8 34.6 14.8 45.0 42 43 A T S S+ 0 0 72 -2,-1.8 2,-0.3 3,-0.1 4,-0.1 0.429 76.8 6.0 -93.7 -1.1 31.9 16.8 43.4 43 44 A A S S- 0 0 14 -3,-0.2 60,-0.1 53,-0.1 -1,-0.1 -0.924 92.5 -89.3-163.3 176.2 33.6 20.0 44.7 44 45 A D S S+ 0 0 41 -2,-0.3 2,-0.3 -3,-0.1 52,-0.0 0.317 109.3 31.2 -82.9 11.8 36.9 20.9 46.5 45 46 A S S S- 0 0 1 201,-0.0 2,-0.2 57,-0.0 -3,-0.1 -0.987 78.7-116.3-160.9 156.0 35.1 20.4 49.8 46 47 A L - 0 0 1 -2,-0.3 199,-2.5 57,-0.1 200,-0.5 -0.470 34.1-157.3 -87.3 168.5 32.4 18.5 51.5 47 48 A H B >> -F 244 0B 53 197,-0.3 3,-2.7 -2,-0.2 4,-0.6 -0.763 40.4 -72.9-136.6-177.2 29.4 20.4 52.8 48 49 A L H >> S+ 0 0 3 195,-2.1 3,-0.7 1,-0.3 4,-0.6 0.745 122.2 71.0 -53.2 -25.5 26.6 20.0 55.4 49 50 A G H 34 S+ 0 0 48 1,-0.2 -1,-0.3 194,-0.2 178,-0.1 0.759 103.4 41.7 -64.1 -22.7 25.0 17.4 53.2 50 51 A H H <> S+ 0 0 29 -3,-2.7 4,-1.9 1,-0.1 -1,-0.2 0.549 93.1 87.9 -99.6 -7.7 27.9 15.0 54.0 51 52 A L H S+ 0 0 12 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.907 114.5 51.4 -60.5 -39.4 27.1 10.3 57.3 54 55 A L H X S+ 0 0 1 -4,-1.9 4,-1.3 1,-0.2 3,-0.2 0.914 111.8 43.4 -62.7 -48.6 30.6 11.4 58.3 55 56 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.804 108.3 60.7 -68.7 -27.8 29.8 11.8 62.0 56 57 A C H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.858 100.3 54.4 -66.7 -32.1 28.0 8.5 61.9 57 58 A L H X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.2 -1,-0.2 0.904 108.7 49.6 -65.0 -39.3 31.3 6.9 60.8 58 59 A K H X S+ 0 0 45 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.859 105.5 56.4 -66.7 -37.3 32.7 8.5 63.9 59 60 A R H X S+ 0 0 19 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.897 108.0 48.3 -63.3 -38.9 29.9 7.1 66.1 60 61 A F H ><>S+ 0 0 0 -4,-1.9 5,-2.2 1,-0.2 3,-0.7 0.937 110.1 51.5 -67.3 -43.1 30.8 3.6 64.8 61 62 A Q H ><5S+ 0 0 13 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.912 106.9 53.5 -59.8 -41.0 34.4 4.2 65.6 62 63 A Q H 3<5S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.767 102.8 57.8 -65.7 -22.9 33.6 5.3 69.2 63 64 A A T <<5S- 0 0 53 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.398 132.8 -95.2 -84.5 2.4 31.7 2.0 69.6 64 65 A G T < 5S+ 0 0 27 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.2 0.366 83.4 129.6 102.4 -2.4 34.9 0.3 68.8 65 66 A H < - 0 0 11 -5,-2.2 -1,-0.3 -6,-0.2 -31,-0.2 -0.377 59.1-113.4 -86.0 164.5 34.5 -0.3 65.1 66 67 A K E -b 34 0A 49 -33,-3.2 -31,-2.7 -2,-0.1 2,-0.3 -0.864 27.5-151.6-102.6 114.3 37.0 0.5 62.3 67 68 A P E -b 35 0A 0 0, 0.0 54,-2.2 0, 0.0 2,-0.6 -0.640 5.6-160.9 -88.2 134.2 35.9 3.2 59.8 68 69 A V E -bd 36 121A 0 -33,-2.2 -31,-1.7 -2,-0.3 2,-0.9 -0.962 8.7-155.8-110.3 119.7 37.1 3.3 56.2 69 70 A A E -bd 37 122A 2 52,-3.1 54,-2.4 -2,-0.6 2,-0.5 -0.857 13.1-162.9 -98.3 106.1 36.6 6.8 54.7 70 71 A L E -bd 38 123A 0 -33,-2.2 -31,-2.4 -2,-0.9 2,-0.5 -0.775 7.1-161.9 -93.4 129.7 36.4 6.2 51.0 71 72 A V E -bd 39 124A 4 52,-2.9 2,-1.8 -2,-0.5 54,-1.0 -0.940 23.5-127.2-108.5 128.0 36.9 9.2 48.7 72 73 A G > + 0 0 0 -33,-2.9 4,-2.7 -2,-0.5 5,-0.1 -0.430 43.1 157.5 -79.6 70.7 35.6 8.6 45.1 73 74 A G T 4 S+ 0 0 3 -2,-1.8 -1,-0.2 1,-0.2 27,-0.1 0.798 86.9 28.3 -61.4 -28.4 38.5 9.4 42.9 74 75 A A T >4 S+ 0 0 10 -3,-0.2 3,-2.1 2,-0.1 4,-0.2 0.841 120.5 50.9 -98.5 -47.0 37.0 7.3 40.2 75 76 A T G >> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 3,-1.6 0.831 103.3 62.3 -62.4 -27.6 33.3 7.5 41.0 76 77 A G G 3< S+ 0 0 11 -4,-2.7 15,-0.4 1,-0.3 -1,-0.3 0.584 98.1 57.8 -71.8 -9.2 33.7 11.3 41.1 77 78 A L G <4 S+ 0 0 29 -3,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.372 114.5 37.3 -97.9 1.2 34.6 11.1 37.4 78 79 A I T <4 S- 0 0 44 -3,-1.6 -2,-0.2 -4,-0.2 10,-0.1 0.715 101.7-131.8-115.8 -51.4 31.3 9.3 36.6 79 80 A G < - 0 0 10 -4,-2.7 95,-0.2 95,-0.1 -3,-0.1 0.505 11.8-108.2 96.1 123.2 28.7 11.0 38.8 80 81 A D - 0 0 0 1,-0.1 92,-0.1 94,-0.1 91,-0.1 -0.724 24.8-171.0 -84.6 117.9 26.0 9.4 41.0 81 82 A P > + 0 0 3 0, 0.0 3,-3.1 0, 0.0 -1,-0.1 0.503 33.4 143.9 -84.7 -6.4 22.5 9.9 39.5 82 83 A S T 3 S- 0 0 2 1,-0.3 74,-0.2 89,-0.1 3,-0.1 -0.096 85.5 -21.5 -45.3 113.4 20.7 8.6 42.6 83 84 A F T 3 S+ 0 0 105 72,-2.7 2,-0.4 1,-0.2 -1,-0.3 0.740 103.8 140.6 53.4 28.2 17.5 10.6 43.1 84 85 A K < - 0 0 39 -3,-3.1 -1,-0.2 71,-0.5 3,-0.1 -0.827 48.3-150.5-100.3 137.8 19.0 13.4 40.9 85 86 A A S S+ 0 0 56 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.856 76.4 33.7 -75.6 -34.5 16.8 15.2 38.4 86 87 A A S S- 0 0 67 79,-0.1 -1,-0.1 1,-0.0 81,-0.1 -0.925 91.2 -89.0-131.6 154.3 19.6 16.0 35.9 87 88 A E - 0 0 82 -2,-0.3 2,-0.1 79,-0.2 -8,-0.1 -0.211 50.1-121.1 -50.0 130.8 22.8 14.6 34.5 88 89 A R - 0 0 72 -10,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.465 30.3 -97.9 -78.6 153.2 25.8 15.7 36.6 89 90 A K - 0 0 178 -2,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.477 34.6-123.7 -71.8 138.2 28.6 17.8 35.1 90 91 A L - 0 0 108 -2,-0.2 2,-0.2 -3,-0.1 -13,-0.1 -0.733 26.7-157.0 -85.7 121.4 31.6 15.8 34.1 91 92 A N - 0 0 41 -2,-0.6 2,-0.1 -15,-0.4 -49,-0.0 -0.566 22.6-100.9 -92.9 161.2 34.8 17.2 35.7 92 93 A T > - 0 0 73 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.422 25.3-115.9 -80.6 158.7 38.3 16.6 34.3 93 94 A E H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 114.8 53.4 -57.1 -46.3 40.7 14.1 35.7 94 95 A E H > S+ 0 0 138 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.896 111.1 45.1 -56.9 -45.5 43.2 16.8 36.8 95 96 A T H > S+ 0 0 50 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.916 113.6 47.5 -67.4 -45.6 40.5 18.7 38.8 96 97 A V H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.896 107.9 56.8 -65.3 -37.5 39.0 15.6 40.5 97 98 A Q H X S+ 0 0 122 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.915 111.1 44.5 -58.7 -41.2 42.5 14.4 41.5 98 99 A E H X S+ 0 0 100 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.922 111.9 50.8 -70.0 -44.5 43.0 17.7 43.2 99 100 A W H X S+ 0 0 50 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.868 104.7 61.1 -61.7 -33.3 39.6 17.7 44.9 100 101 A V H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.923 105.6 44.1 -60.3 -46.6 40.3 14.1 46.1 101 102 A D H X S+ 0 0 71 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.886 113.0 52.6 -67.4 -36.8 43.3 15.2 48.2 102 103 A K H X S+ 0 0 81 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.964 112.7 43.9 -61.4 -51.1 41.5 18.2 49.5 103 104 A I H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.902 110.5 55.3 -62.2 -39.8 38.6 16.1 50.7 104 105 A R H X S+ 0 0 89 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.930 111.1 44.5 -58.9 -44.4 40.8 13.3 52.1 105 106 A K H < S+ 0 0 131 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.835 111.8 53.8 -70.7 -30.0 42.6 15.9 54.3 106 107 A Q H < S+ 0 0 31 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.840 110.6 46.8 -72.5 -32.6 39.3 17.5 55.3 107 108 A V H >X S+ 0 0 2 -4,-2.2 3,-1.8 -5,-0.2 4,-0.6 0.878 95.8 74.7 -77.0 -37.1 37.9 14.1 56.4 108 109 A A G >< S+ 0 0 36 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.846 87.9 56.6 -45.6 -52.9 40.9 13.0 58.5 109 110 A P G 34 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.740 100.9 61.9 -55.2 -22.9 40.5 15.3 61.5 110 111 A F G <4 S+ 0 0 9 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.708 105.6 48.7 -76.5 -20.6 37.0 13.8 62.0 111 112 A L S << S- 0 0 11 -3,-2.0 2,-0.7 -4,-0.6 8,-0.1 -0.796 85.7-112.3-120.5 163.0 38.3 10.3 62.6 112 113 A D + 0 0 70 -2,-0.3 8,-2.7 6,-0.2 3,-0.3 -0.848 30.0 171.9 -98.1 116.2 41.0 8.8 64.7 113 114 A F S S+ 0 0 83 -2,-0.7 -1,-0.1 6,-0.3 6,-0.1 0.228 76.4 55.9-102.3 10.0 43.9 7.4 62.7 114 115 A D S S+ 0 0 143 1,-0.1 -1,-0.2 4,-0.1 3,-0.1 -0.324 73.1 97.9-139.4 53.3 45.9 6.7 65.8 115 116 A C S > S- 0 0 42 1,-0.4 3,-0.7 -3,-0.3 2,-0.2 -0.093 85.5 -98.1-133.1 38.9 43.9 4.5 68.2 116 117 A G G > S- 0 0 41 1,-0.2 3,-1.8 2,-0.1 -1,-0.4 -0.526 85.4 -11.5 86.9-152.0 45.0 0.9 67.7 117 118 A E G 3 S+ 0 0 181 1,-0.3 -1,-0.2 -2,-0.2 -51,-0.0 0.688 132.4 57.2 -65.5 -19.4 43.4 -1.7 65.5 118 119 A N G < S+ 0 0 33 -3,-0.7 -1,-0.3 -52,-0.1 -6,-0.2 0.166 77.7 138.2 -97.4 21.3 40.2 0.3 65.0 119 120 A S < - 0 0 21 -3,-1.8 -6,-0.3 -53,-0.1 -53,-0.0 -0.339 60.9-100.1 -60.7 144.3 42.3 3.2 63.5 120 121 A A - 0 0 9 -8,-2.7 2,-0.4 -54,-0.1 -52,-0.2 -0.263 30.4-147.7 -68.9 154.4 40.6 4.8 60.5 121 122 A I E -d 68 0A 33 -54,-2.2 -52,-3.1 -3,-0.1 2,-0.5 -0.984 3.9-145.5-125.3 133.2 41.7 4.0 56.9 122 123 A A E -d 69 0A 46 -2,-0.4 2,-0.3 -54,-0.2 -52,-0.2 -0.863 25.1-177.0 -98.0 129.9 41.5 6.4 54.0 123 124 A A E -d 70 0A 10 -54,-2.4 -52,-2.9 -2,-0.5 2,-0.3 -0.891 17.9-163.1-126.8 158.4 40.6 4.7 50.7 124 125 A N E > -d 71 0A 39 -2,-0.3 3,-2.3 -54,-0.2 4,-0.3 -0.945 14.5-150.7-141.5 116.1 40.3 5.9 47.1 125 126 A N T >> S+ 0 0 0 -54,-1.0 4,-2.0 -2,-0.3 3,-0.6 0.593 91.3 80.0 -67.8 -4.7 38.5 3.8 44.4 126 127 A Y H 3> S+ 0 0 85 -55,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.767 79.0 73.0 -68.2 -22.7 40.7 5.3 41.8 127 128 A D H <4 S+ 0 0 113 -3,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.904 112.5 22.1 -57.6 -41.3 43.2 2.7 43.1 128 129 A W H <4 S+ 0 0 30 -3,-0.6 -2,-0.2 -4,-0.3 -1,-0.2 0.655 132.9 37.7-102.4 -18.7 41.2 -0.1 41.4 129 130 A F H >< S+ 0 0 25 -4,-2.0 3,-1.8 2,-0.1 -3,-0.2 0.760 96.0 81.7 -99.4 -30.2 39.2 1.6 38.7 130 131 A G T 3< S+ 0 0 29 -4,-1.5 -3,-0.1 -5,-0.4 -2,-0.1 0.765 112.7 16.4 -43.0 -39.3 41.9 4.1 37.7 131 132 A N T 3 S+ 0 0 140 -5,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.061 91.0 130.5-125.8 23.3 43.7 1.5 35.5 132 133 A M < - 0 0 46 -3,-1.8 -3,-0.0 1,-0.1 -4,-0.0 -0.683 58.7-121.7 -82.4 128.5 41.0 -1.2 35.0 133 134 A N > - 0 0 88 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.343 15.5-125.8 -65.9 147.9 40.5 -2.2 31.4 134 135 A V H > S+ 0 0 89 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.877 109.2 53.0 -64.7 -37.7 36.9 -1.8 30.1 135 136 A L H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.894 108.6 50.9 -65.3 -37.8 36.6 -5.4 28.9 136 137 A T H >>S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 5,-0.5 0.936 112.3 46.8 -63.3 -47.2 37.6 -6.6 32.4 137 138 A F H X>S+ 0 0 27 -4,-2.1 5,-2.7 1,-0.2 4,-1.8 0.950 113.3 47.2 -57.9 -55.1 35.0 -4.4 34.0 138 139 A L H <5S+ 0 0 85 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.838 123.8 33.2 -57.9 -38.2 32.2 -5.4 31.6 139 140 A R H X5S+ 0 0 171 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.951 123.8 37.7 -82.9 -61.8 33.0 -9.1 32.0 140 141 A D H <5S+ 0 0 82 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.714 138.0 15.9 -68.2 -22.6 34.2 -9.6 35.6 141 142 A I T ><4 - 0 0 39 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 -0.788 4.4-155.4 -89.5 124.6 20.8 -7.6 35.6 147 148 A V H > S+ 0 0 81 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.845 95.3 61.8 -69.1 -31.2 19.7 -4.6 33.6 148 149 A N H > S+ 0 0 118 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.926 109.3 41.7 -58.4 -43.6 16.1 -5.5 34.3 149 150 A Q H >4 S+ 0 0 100 1,-0.2 3,-1.0 2,-0.2 -2,-0.2 0.910 111.0 56.1 -69.3 -44.6 16.8 -5.1 38.0 150 151 A M H >< S+ 0 0 17 -4,-2.2 3,-1.3 1,-0.2 6,-0.2 0.865 102.7 55.8 -56.6 -40.3 18.9 -1.9 37.5 151 152 A I H 3< S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.657 106.7 47.6 -72.5 -17.1 16.1 -0.1 35.7 152 153 A N T << S+ 0 0 101 -3,-1.0 2,-0.4 -4,-0.5 -1,-0.3 0.125 79.6 126.0-108.2 21.9 13.5 -0.4 38.4 153 154 A K X> - 0 0 42 -3,-1.3 4,-1.6 1,-0.1 3,-1.6 -0.658 66.5-131.4 -76.0 129.0 16.0 0.7 41.1 154 155 A E H 3> S+ 0 0 117 -2,-0.4 4,-0.6 1,-0.3 -1,-0.1 0.834 100.1 66.7 -52.5 -38.8 14.2 3.6 42.9 155 156 A A H 34 S+ 0 0 6 1,-0.2 -72,-2.7 2,-0.1 -71,-0.5 0.714 119.5 19.2 -57.8 -23.9 17.3 5.9 42.6 156 157 A V H X> S+ 0 0 14 -3,-1.6 3,-1.1 -6,-0.2 4,-1.0 0.454 93.9 101.6-126.3 -6.5 17.0 6.1 38.8 157 158 A K H >X S+ 0 0 90 -4,-1.6 4,-1.7 1,-0.3 3,-1.5 0.896 83.4 51.5 -46.1 -52.5 13.4 5.0 38.1 158 159 A Q H 3< S+ 0 0 79 -4,-0.6 -1,-0.3 1,-0.3 7,-0.1 0.789 103.7 58.8 -59.4 -28.8 12.2 8.6 37.6 159 160 A R H <4 S+ 0 0 1 -3,-1.1 -1,-0.3 1,-0.2 3,-0.2 0.740 109.1 45.6 -73.1 -20.9 15.0 9.2 35.1 160 161 A L H << S+ 0 0 66 -3,-1.5 2,-1.3 -4,-1.0 -2,-0.2 0.774 104.3 59.0 -91.6 -31.5 13.7 6.4 33.0 161 162 A N S < S+ 0 0 108 -4,-1.7 -1,-0.2 5,-0.0 2,-0.1 -0.627 93.4 145.7 -96.0 71.8 10.0 7.3 33.1 162 163 A R + 0 0 152 -2,-1.3 -3,-0.1 -3,-0.2 4,-0.1 -0.294 48.6 157.1-106.8-172.9 10.8 10.6 31.5 163 164 A E S S+ 0 0 159 -2,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.015 110.0 22.5 167.4 11.6 9.7 13.4 29.2 164 165 A D S S+ 0 0 117 -5,-0.1 2,-0.2 -79,-0.1 -2,-0.1 0.219 119.3 60.8-172.9 5.7 12.0 15.8 31.1 165 166 A Q + 0 0 29 -6,-0.1 2,-0.2 -7,-0.1 -79,-0.1 -0.698 54.7 166.2-151.0 95.7 14.6 13.4 32.7 166 167 A G - 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0 0 15 -3,-1.8 37,-0.1 37,-0.1 -3,-0.1 -0.273 61.3-114.9 -58.2 133.6 18.3 26.8 63.6 263 264 A A >> - 0 0 53 1,-0.1 4,-2.1 36,-0.0 3,-1.3 -0.338 19.0-119.1 -68.4 150.2 14.4 26.8 64.0 264 265 A D H 3> S+ 0 0 97 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.850 113.9 57.8 -57.7 -36.5 13.0 25.7 67.4 265 266 A A H 34 S+ 0 0 66 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.716 115.9 34.7 -68.5 -19.8 11.2 22.9 65.7 266 267 A D H <> S+ 0 0 4 -3,-1.3 4,-2.9 2,-0.1 5,-0.2 0.736 94.9 83.4-104.7 -27.7 14.5 21.5 64.3 267 268 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.1 0.777 91.6 46.0 -51.7 -41.6 17.0 22.1 67.0 268 269 A Y H X S+ 0 0 29 -4,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.914 116.1 46.8 -72.5 -39.6 16.5 19.2 69.3 269 270 A R H > S+ 0 0 78 1,-0.2 4,-1.9 -4,-0.2 -2,-0.2 0.894 112.3 51.5 -66.1 -39.5 16.4 16.8 66.3 270 271 A F H X S+ 0 0 4 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.859 102.0 59.1 -67.6 -33.6 19.5 18.4 65.0 271 272 A L H X S+ 0 0 0 -4,-1.9 4,-1.2 -5,-0.2 6,-0.3 0.898 109.1 46.7 -60.6 -37.1 21.2 18.0 68.3 272 273 A K H < S+ 0 0 43 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.893 116.6 42.2 -70.3 -41.1 20.7 14.3 67.9 273 274 A F H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.877 125.4 30.7 -73.1 -40.9 21.9 14.2 64.3 274 275 A F H < S+ 0 0 0 -4,-3.0 2,-0.3 -5,-0.1 -2,-0.2 0.401 110.3 53.3-105.8 0.2 24.9 16.4 64.6 275 276 A T < - 0 0 0 -4,-1.2 27,-0.0 -5,-0.2 31,-0.0 -0.845 65.6-129.8-132.1 173.6 26.4 16.1 68.1 276 277 A F + 0 0 54 -2,-0.3 2,-0.1 2,-0.0 -4,-0.1 0.185 61.7 129.6-105.3 14.3 27.6 13.5 70.5 277 278 A M - 0 0 12 -6,-0.3 -2,-0.1 1,-0.1 5,-0.0 -0.467 68.4-102.3 -67.2 142.0 25.5 14.7 73.5 278 279 A S > - 0 0 46 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.219 21.9-117.1 -63.4 156.4 23.7 11.8 75.0 279 280 A I H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 116.6 56.3 -60.7 -38.6 20.0 11.4 74.3 280 281 A E H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 107.9 46.7 -59.7 -46.8 19.3 11.9 78.0 281 282 A E H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.881 111.9 50.5 -64.9 -38.1 21.1 15.3 78.0 282 283 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.905 111.0 48.4 -67.0 -42.7 19.3 16.4 74.8 283 284 A N H X S+ 0 0 72 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.901 111.3 50.2 -64.3 -39.8 15.9 15.5 76.2 284 285 A A H X S+ 0 0 60 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.864 109.6 51.7 -66.3 -34.7 16.7 17.3 79.5 285 286 A L H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.875 108.6 50.9 -68.8 -37.4 17.7 20.4 77.5 286 287 A E H X S+ 0 0 72 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.934 112.3 46.3 -64.8 -44.1 14.4 20.3 75.6 287 288 A E H X S+ 0 0 88 -4,-2.3 4,-2.0 1,-0.2 3,-0.2 0.933 110.3 54.3 -62.0 -47.2 12.5 20.1 78.8 288 289 A E H X S+ 0 0 82 -4,-2.7 4,-1.3 1,-0.3 -1,-0.2 0.888 109.7 46.4 -54.4 -43.9 14.7 22.9 80.3 289 290 A D H < S+ 0 0 18 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.801 109.4 56.5 -70.0 -28.7 13.8 25.2 77.3 290 291 A K H < S+ 0 0 136 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.887 115.9 34.5 -68.7 -39.2 10.2 24.3 77.6 291 292 A N H < S+ 0 0 116 -4,-2.0 2,-0.2 -5,-0.1 -2,-0.2 0.507 100.1 84.7 -95.8 -11.0 10.0 25.4 81.3 292 293 A S S < S- 0 0 34 -4,-1.3 0, 0.0 -5,-0.2 0, 0.0 -0.600 71.2-142.1 -86.6 156.9 12.3 28.4 81.3 293 294 A G S S+ 0 0 89 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.237 73.3 104.5-107.3 38.9 10.8 31.6 80.2 294 295 A K S S- 0 0 168 -5,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.724 89.0 -79.9-116.4 166.2 14.1 32.3 78.5 295 296 A A - 0 0 84 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.397 65.4 -96.0 -58.9 142.8 15.4 32.2 75.0 296 297 A P - 0 0 45 0, 0.0 4,-0.3 0, 0.0 3,-0.2 -0.380 30.6-156.9 -60.8 139.0 16.0 28.5 74.2 297 298 A R S > S+ 0 0 112 -12,-0.2 4,-2.3 1,-0.2 5,-0.2 0.515 73.8 91.4 -98.9 2.4 19.6 27.7 74.7 298 299 A A H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.883 82.4 54.6 -59.3 -41.9 19.6 24.6 72.4 299 300 A Q H > S+ 0 0 17 -3,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.914 110.0 46.9 -59.5 -42.6 20.6 26.7 69.4 300 301 A Y H > S+ 0 0 112 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.909 113.2 49.0 -64.7 -44.3 23.7 28.0 71.2 301 302 A V H X S+ 0 0 10 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.939 113.6 46.5 -60.1 -49.0 24.5 24.5 72.4 302 303 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.4 0.948 112.7 48.8 -58.0 -52.2 24.1 23.1 68.9 303 304 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.904 114.1 47.0 -55.8 -43.5 26.2 25.8 67.3 304 305 A E H X S+ 0 0 47 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.914 114.5 46.6 -64.8 -45.4 28.9 25.3 69.9 305 306 A Q H X S+ 0 0 46 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.950 117.3 39.4 -64.1 -53.6 29.0 21.5 69.5 306 307 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.894 113.0 55.1 -69.1 -37.8 29.0 21.3 65.7 307 308 A T H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.4 5,-0.2 0.906 111.0 45.4 -62.6 -39.1 31.4 24.2 65.2 308 309 A R H X S+ 0 0 73 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.931 112.0 52.3 -67.8 -44.6 33.9 22.6 67.5 309 310 A L H < S+ 0 0 51 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.898 120.5 33.5 -56.5 -42.5 33.5 19.2 65.8 310 311 A V H < S+ 0 0 18 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.821 138.4 16.0 -86.2 -35.1 34.0 20.8 62.4 311 312 A H H X S- 0 0 28 -4,-2.9 4,-1.8 -5,-0.3 3,-0.2 0.275 98.0-136.3-125.3 9.5 36.6 23.5 63.1 312 313 A G H >X - 0 0 30 -4,-2.4 4,-2.2 -5,-0.2 3,-0.6 0.105 50.3 -44.7 61.4-179.4 37.9 22.6 66.5 313 314 A E H 3> S+ 0 0 115 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.819 137.9 56.1 -51.3 -38.5 38.5 24.9 69.4 314 315 A E H 3> S+ 0 0 172 -3,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.886 108.0 47.6 -64.2 -41.0 40.2 27.4 67.2 315 316 A G H < S+ 0 0 87 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.889 107.5 55.9 -70.9 -36.5 36.9 30.9 69.2 318 319 A A H >< S+ 0 0 37 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.712 96.5 68.9 -66.2 -19.4 37.0 32.5 65.7 319 320 A A T 3< S+ 0 0 3 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.589 97.0 51.9 -74.0 -12.6 33.2 32.4 65.8 320 321 A K T < 0 0 101 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.063 360.0 360.0-111.6 22.2 33.2 35.0 68.5 321 322 A R < 0 0 213 -3,-1.1 -2,-0.2 0, 0.0 -3,-0.1 0.420 360.0 360.0-148.1 360.0 35.4 37.6 66.8 322 ! 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 0.0 323 501 A Y 0 0 36 0, 0.0 -126,-0.3 0, 0.0 -283,-0.2 0.000 360.0 360.0 360.0 360.0 28.0 8.1 47.2