==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-MAY-10 3AII . COMPND 2 MOLECULE: GLUTAMYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR O.NUREKI,R.ISHITANI . 455 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 15.4 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 . 4 0.9 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 . 35 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 0 0 1 1 0 2 1 2 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 3 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 . 2 2 2 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 1 1 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 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 87 A L 0 0 71 0, 0.0 3,-0.1 0, 0.0 277,-0.0 0.000 360.0 360.0 360.0 146.4 16.0 44.6 63.5 2 88 A R - 0 0 170 1,-0.1 2,-0.1 0, 0.0 279,-0.0 -0.299 360.0 -91.9 -64.4 152.8 17.7 47.5 61.6 3 89 A E - 0 0 153 1,-0.1 2,-0.2 -2,-0.0 -1,-0.1 -0.363 38.6-116.1 -68.4 145.3 18.4 50.6 63.7 4 90 A L - 0 0 16 -3,-0.1 3,-0.4 33,-0.1 2,-0.2 -0.507 29.8-124.1 -76.1 149.2 15.9 53.4 63.7 5 91 A A S S+ 0 0 56 1,-0.2 221,-0.1 -2,-0.2 -1,-0.1 -0.586 81.6 15.4 -92.5 157.9 16.9 56.8 62.3 6 92 A G S S+ 0 0 51 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.686 74.1 174.8 57.4 22.7 16.9 60.2 64.0 7 93 A V + 0 0 62 -3,-0.4 2,-0.4 4,-0.0 -1,-0.2 -0.484 5.5 162.4 -60.5 115.1 16.5 58.7 67.5 8 94 A K - 0 0 155 -2,-0.4 2,-0.1 2,-0.2 -1,-0.0 -0.936 58.6 -28.8-137.6 116.8 16.7 61.7 69.9 9 95 A G S S+ 0 0 67 -2,-0.4 -1,-0.0 2,-0.0 0, 0.0 -0.370 117.0 3.9 72.5-157.7 15.5 61.1 73.4 10 96 A E - 0 0 159 -3,-0.1 2,-0.4 -2,-0.1 -2,-0.2 -0.248 69.3-132.0 -64.1 141.3 12.7 58.6 74.1 11 97 A V - 0 0 4 30,-0.4 33,-2.3 27,-0.1 2,-0.4 -0.816 23.0-172.7 -92.2 132.8 11.3 56.5 71.3 12 98 A V E +a 44 0A 5 -2,-0.4 190,-2.7 31,-0.2 191,-1.6 -0.985 7.5 172.4-131.6 121.1 7.5 56.3 71.1 13 99 A L E -a 45 0A 1 31,-2.4 33,-2.4 -2,-0.4 2,-0.3 -0.732 13.3-150.9-119.8 166.1 5.8 53.9 68.7 14 100 A R E -a 46 0A 15 189,-0.4 2,-0.5 -2,-0.2 191,-0.3 -0.973 14.0-151.0-139.0 156.6 2.1 53.0 68.2 15 101 A F E -a 47 0A 9 31,-2.7 33,-2.4 -2,-0.3 191,-0.1 -0.999 23.6-175.2-121.3 123.3 0.0 50.1 67.0 16 102 A A + 0 0 23 -2,-0.5 33,-0.1 31,-0.2 2,-0.1 -0.621 7.8 169.1-131.5 74.4 -3.2 51.5 65.5 17 103 A P - 0 0 4 0, 0.0 33,-2.6 0, 0.0 -2,-0.1 -0.428 32.5-121.9 -82.7 157.2 -5.8 48.9 64.5 18 104 A N - 0 0 86 31,-0.2 2,-1.0 -2,-0.1 3,-0.5 -0.720 24.1-121.5 -88.3 150.0 -9.4 49.6 63.5 19 105 A P S S+ 0 0 3 0, 0.0 39,-3.2 0, 0.0 42,-0.3 -0.191 72.3 124.2 -87.6 49.1 -12.1 47.8 65.5 20 106 A S S S- 0 0 22 -2,-1.0 220,-0.1 37,-0.2 37,-0.1 0.554 88.6 -49.2 -80.7 -8.3 -13.6 46.0 62.5 21 107 A G S S- 0 0 2 -3,-0.5 -1,-0.2 37,-0.1 3,-0.1 -0.941 85.3 -42.1 163.1-170.8 -13.1 42.7 64.3 22 108 A P S S- 0 0 1 0, 0.0 43,-0.1 0, 0.0 39,-0.1 -0.210 75.4 -74.2 -75.6 173.2 -10.3 40.8 66.1 23 109 A L - 0 0 0 41,-0.2 236,-2.6 38,-0.1 237,-0.5 -0.321 43.3-165.4 -73.1 146.6 -6.7 40.7 64.9 24 110 A H B > -C 258 0B 64 234,-0.3 4,-2.0 235,-0.1 3,-0.3 -0.591 43.9 -83.1-116.0-177.6 -5.4 38.7 62.0 25 111 A I H > S+ 0 0 14 232,-1.2 4,-1.5 1,-0.2 233,-0.1 0.867 126.6 56.9 -57.9 -37.4 -1.9 37.7 60.9 26 112 A G H > S+ 0 0 46 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.924 107.6 48.4 -58.0 -44.9 -1.3 41.1 59.1 27 113 A H H > S+ 0 0 30 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.915 103.1 62.7 -59.7 -43.2 -2.0 42.9 62.3 28 114 A A H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.870 98.5 55.7 -54.6 -39.4 0.3 40.6 64.2 29 115 A R H X S+ 0 0 8 -4,-1.5 4,-2.7 -3,-0.3 5,-0.3 0.943 110.2 43.0 -58.0 -52.1 3.3 41.9 62.1 30 116 A A H X S+ 0 0 19 -4,-1.2 4,-2.2 2,-0.2 5,-0.3 0.902 116.6 49.3 -60.2 -41.3 2.7 45.6 62.9 31 117 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.947 114.0 44.0 -65.0 -47.9 2.1 44.7 66.6 32 118 A I H X S+ 0 0 0 -4,-3.1 4,-3.3 -5,-0.2 5,-0.2 0.935 114.4 48.3 -63.6 -47.7 5.2 42.6 66.9 33 119 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.936 114.2 45.6 -62.7 -45.2 7.5 44.9 65.1 34 120 A N H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.903 114.6 48.5 -65.7 -38.5 6.4 48.0 67.0 35 121 A H H X S+ 0 0 7 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.940 110.7 51.3 -64.7 -46.0 6.6 46.0 70.3 36 122 A E H X S+ 0 0 23 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.866 110.9 47.9 -59.5 -38.9 10.1 44.7 69.4 37 123 A Y H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 6,-0.3 0.872 109.0 53.5 -70.7 -35.4 11.4 48.3 68.6 38 124 A A H <>S+ 0 0 7 -4,-2.0 5,-2.4 -5,-0.2 4,-0.3 0.905 113.1 44.5 -63.9 -38.9 9.9 49.6 71.9 39 125 A R H ><5S+ 0 0 141 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.964 112.6 51.1 -65.6 -52.8 11.8 46.9 73.7 40 126 A K H 3<5S+ 0 0 103 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.873 119.6 35.4 -50.6 -45.0 15.0 47.4 71.7 41 127 A Y T 3<5S- 0 0 55 -4,-2.5 -30,-0.4 -5,-0.1 -1,-0.3 0.304 105.3-121.3 -98.3 9.2 15.0 51.2 72.4 42 128 A D T < 5S+ 0 0 152 -3,-1.4 -3,-0.2 -4,-0.3 -4,-0.1 0.878 71.4 133.6 53.6 38.7 13.6 51.0 76.0 43 129 A G < - 0 0 18 -5,-2.4 2,-0.3 -6,-0.3 -31,-0.2 -0.142 55.9 -88.7-104.1-160.8 10.7 53.2 74.7 44 130 A R E -a 12 0A 87 -33,-2.3 -31,-2.4 -3,-0.1 2,-0.4 -0.829 22.4-150.7-115.7 154.7 7.0 53.3 74.9 45 131 A L E -a 13 0A 3 -2,-0.3 32,-3.2 -33,-0.2 33,-0.9 -0.995 9.9-156.0-124.4 130.7 4.2 51.7 72.8 46 132 A I E -ab 14 78A 0 -33,-2.4 -31,-2.7 -2,-0.4 2,-0.6 -0.874 6.9-149.3-106.0 130.6 0.8 53.2 72.4 47 133 A L E -ab 15 79A 3 31,-3.0 33,-2.6 -2,-0.4 2,-0.5 -0.913 20.9-176.4 -92.5 119.2 -2.3 51.2 71.5 48 134 A R E - b 0 80A 0 -33,-2.4 2,-0.7 -2,-0.6 33,-0.2 -0.949 16.4-150.4-122.1 112.6 -4.6 53.5 69.5 49 135 A I E - b 0 81A 4 31,-2.6 33,-2.6 -2,-0.5 2,-1.3 -0.710 9.5-152.3 -84.4 117.9 -8.0 52.2 68.5 50 136 A E + 0 0 12 -33,-2.6 3,-0.2 -2,-0.7 2,-0.1 -0.643 35.4 150.4 -98.7 81.6 -8.9 53.9 65.3 51 137 A D + 0 0 1 -2,-1.3 -1,-0.1 1,-0.2 6,-0.1 -0.298 21.4 123.0-111.6 46.1 -12.7 53.8 65.4 52 138 A T + 0 0 19 -2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.212 55.7 79.6 -94.6 14.1 -13.7 57.0 63.5 53 139 A D > - 0 0 63 -3,-0.2 3,-1.9 1,-0.1 4,-0.1 -0.907 65.2-164.9-118.0 100.1 -15.8 55.2 60.9 54 140 A P G > S+ 0 0 5 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.766 83.9 53.8 -62.1 -27.3 -19.1 54.6 62.7 55 141 A R G 3 S+ 0 0 125 1,-0.2 120,-0.0 120,-0.1 119,-0.0 0.555 106.6 52.4 -83.1 -7.9 -20.4 52.1 60.1 56 142 A R G < S+ 0 0 151 -3,-1.9 2,-0.5 2,-0.0 -1,-0.2 0.118 80.7 115.7-114.7 18.5 -17.3 49.9 60.3 57 143 A V < - 0 0 7 -3,-0.7 -37,-0.2 -4,-0.1 3,-0.1 -0.798 47.9-159.5 -95.3 127.3 -17.1 49.3 64.1 58 144 A D > - 0 0 3 -39,-3.2 3,-1.9 -2,-0.5 4,-0.5 -0.918 12.3-150.3 -99.7 111.2 -17.6 45.9 65.6 59 145 A P T > S+ 0 0 72 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.801 93.6 58.3 -53.0 -33.6 -18.5 46.6 69.3 60 146 A E T >> S+ 0 0 87 1,-0.2 4,-1.8 2,-0.1 3,-0.9 0.753 90.3 73.5 -70.6 -22.8 -16.9 43.3 70.4 61 147 A A H <> S+ 0 0 0 -3,-1.9 4,-2.5 -42,-0.3 -1,-0.2 0.752 79.2 71.6 -65.6 -27.0 -13.5 44.3 69.0 62 148 A Y H <4 S+ 0 0 35 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.1 0.893 112.0 30.1 -58.0 -38.8 -12.7 46.8 71.7 63 149 A D H <> S+ 0 0 132 -3,-0.9 4,-1.3 -4,-0.4 -1,-0.2 0.794 117.8 57.4 -87.0 -31.2 -12.2 44.0 74.1 64 150 A M H X S+ 0 0 18 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.894 99.3 58.7 -69.0 -40.2 -11.0 41.4 71.6 65 151 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.930 106.7 43.9 -60.3 -49.9 -8.0 43.4 70.4 66 152 A P H > S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.901 112.5 54.2 -65.7 -32.9 -6.2 43.9 73.6 67 153 A A H X S+ 0 0 38 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.909 108.5 49.5 -61.4 -40.8 -6.8 40.2 74.5 68 154 A D H X S+ 0 0 8 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.884 109.6 51.5 -65.1 -40.7 -5.2 39.3 71.1 69 155 A L H X>S+ 0 0 2 -4,-2.2 5,-2.4 2,-0.2 4,-0.6 0.892 108.3 51.2 -62.0 -42.7 -2.2 41.5 71.9 70 156 A E H ><5S+ 0 0 130 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.926 107.4 53.9 -59.9 -44.1 -1.8 39.9 75.3 71 157 A W H 3<5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.902 106.5 51.9 -56.8 -41.7 -1.8 36.5 73.6 72 158 A L H 3<5S- 0 0 4 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.632 117.7-114.7 -68.6 -15.0 1.0 37.7 71.3 73 159 A G T <<5 + 0 0 40 -3,-1.3 2,-0.4 -4,-0.6 -3,-0.2 0.632 63.0 153.0 85.8 16.5 3.0 38.7 74.3 74 160 A V < - 0 0 6 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.654 26.0-164.3 -83.4 130.8 2.9 42.4 73.4 75 161 A E - 0 0 150 -2,-0.4 2,-0.3 -40,-0.0 -5,-0.0 -0.889 10.8-179.5-107.8 146.9 3.1 44.9 76.2 76 162 A W - 0 0 57 -2,-0.4 -30,-0.2 1,-0.1 3,-0.1 -0.887 27.8-141.0-144.4 176.5 2.2 48.5 75.9 77 163 A D S S+ 0 0 93 -32,-3.2 2,-0.3 1,-0.3 -31,-0.2 0.606 77.3 20.3-117.3 -20.7 2.0 51.8 77.9 78 164 A E E -b 46 0A 84 -33,-0.9 -31,-3.0 2,-0.0 2,-0.4 -0.986 54.9-151.4-152.9 145.5 -1.1 53.7 77.0 79 165 A T E +b 47 0A 82 -2,-0.3 2,-0.4 -33,-0.2 -31,-0.2 -0.993 18.7 179.5-122.2 128.0 -4.5 52.9 75.4 80 166 A V E -b 48 0A 18 -33,-2.6 -31,-2.6 -2,-0.4 2,-0.5 -0.973 14.3-155.8-129.2 137.1 -6.2 55.7 73.5 81 167 A I E > -b 49 0A 35 -2,-0.4 3,-1.7 -33,-0.2 4,-0.2 -0.970 10.6-147.4-117.8 124.4 -9.6 55.4 71.7 82 168 A Q G > S+ 0 0 0 -33,-2.6 3,-2.1 -2,-0.5 -32,-0.1 0.828 94.5 62.9 -64.5 -30.3 -10.2 57.9 68.8 83 169 A S G > S+ 0 0 2 -34,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.668 98.0 59.2 -71.0 -10.8 -13.9 58.2 69.3 84 170 A D G < S+ 0 0 101 -3,-1.7 -1,-0.3 1,-0.2 3,-0.2 0.511 101.1 59.3 -83.5 -6.7 -13.1 59.7 72.8 85 171 A R G X> + 0 0 41 -3,-2.1 4,-1.9 -4,-0.2 3,-1.0 0.178 61.4 119.0-111.2 16.2 -11.2 62.4 71.0 86 172 A M H <> S+ 0 0 2 -3,-0.5 4,-2.2 1,-0.3 5,-0.2 0.890 77.6 51.2 -53.6 -44.6 -13.8 64.1 68.7 87 173 A E H 3> S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.801 106.9 56.3 -65.3 -26.0 -13.4 67.5 70.4 88 174 A T H <> S+ 0 0 34 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.933 107.4 46.8 -68.4 -46.2 -9.7 67.3 69.9 89 175 A Y H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.869 113.8 49.2 -63.0 -35.7 -10.1 66.8 66.2 90 176 A Y H X S+ 0 0 11 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.919 109.5 52.0 -68.0 -43.1 -12.6 69.7 66.1 91 177 A E H X S+ 0 0 86 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.924 113.1 44.1 -55.9 -47.9 -10.1 71.9 68.1 92 178 A Y H X S+ 0 0 35 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.746 108.3 57.9 -77.3 -21.3 -7.3 71.2 65.7 93 179 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.924 109.0 46.3 -64.5 -47.3 -9.6 71.6 62.6 94 180 A E H X S+ 0 0 58 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.902 113.7 48.8 -60.9 -41.1 -10.4 75.2 63.9 95 181 A K H X S+ 0 0 84 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.907 110.0 50.9 -66.5 -40.1 -6.6 75.8 64.5 96 182 A L H <>S+ 0 0 0 -4,-2.0 5,-2.9 1,-0.2 6,-0.5 0.899 111.4 48.4 -64.5 -43.0 -5.7 74.5 61.0 97 183 A I H ><5S+ 0 0 4 -4,-2.3 3,-1.5 4,-0.2 -2,-0.2 0.899 109.8 52.0 -61.1 -42.3 -8.3 76.8 59.5 98 184 A E H 3<5S+ 0 0 132 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.871 107.8 52.3 -64.4 -34.6 -7.0 79.8 61.5 99 185 A R T 3<5S- 0 0 154 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.405 119.5-113.7 -79.1 2.1 -3.5 79.0 60.3 100 186 A G T < 5S+ 0 0 38 -3,-1.5 -3,-0.2 2,-0.1 -2,-0.1 0.749 84.1 118.5 73.1 26.3 -4.9 79.0 56.7 101 187 A G S > - 0 0 193 1,-0.1 4,-2.5 39,-0.0 3,-0.7 -0.599 39.5-122.1 -65.9 129.6 -20.4 69.3 44.3 109 195 A P H 3> S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.805 108.3 48.6 -48.3 -41.5 -17.7 66.7 44.5 110 196 A E H 3> S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.851 112.1 48.6 -71.3 -34.3 -17.6 66.1 40.7 111 197 A E H <> S+ 0 0 108 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.897 112.7 48.9 -70.1 -39.7 -17.3 69.8 39.9 112 198 A F H X S+ 0 0 5 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.907 109.1 53.3 -61.8 -42.8 -14.6 70.1 42.5 113 199 A R H X S+ 0 0 137 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.895 105.2 53.8 -61.9 -40.3 -12.7 67.1 41.0 114 200 A E H X S+ 0 0 119 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.902 113.4 42.7 -61.7 -41.5 -12.8 68.7 37.5 115 201 A L H ><>S+ 0 0 18 -4,-1.6 5,-2.7 1,-0.2 3,-1.1 0.947 113.9 51.8 -67.3 -49.3 -11.2 71.9 38.9 116 202 A K H ><5S+ 0 0 35 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.877 105.2 54.5 -55.1 -45.1 -8.7 70.0 41.0 117 203 A N H 3<5S+ 0 0 75 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.687 110.7 46.9 -68.0 -18.6 -7.5 67.8 38.2 118 204 A R T <<5S- 0 0 136 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.206 118.8-110.7-104.5 11.2 -6.7 70.9 36.1 119 205 A G T < 5S+ 0 0 19 -3,-1.8 2,-0.4 36,-0.3 -3,-0.2 0.746 72.1 139.1 70.0 25.3 -4.9 72.6 39.1 120 206 A E < - 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