==== 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 21-APR-07 2PME . COMPND 2 MOLECULE: GLYCYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.XIE . 521 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 51 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.9 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 0 2 4 0 1 3 1 1 2 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 1 2 6 4 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 0 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 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 63 A D 0 0 153 0, 0.0 3,-0.1 0, 0.0 331,-0.1 0.000 360.0 360.0 360.0 147.8 -21.6 28.5 -4.5 2 64 A I - 0 0 49 1,-0.3 2,-0.3 329,-0.1 330,-0.1 0.965 360.0 -33.3 -72.2 -55.4 -18.6 26.7 -3.1 3 65 A V - 0 0 33 388,-0.0 2,-1.3 328,-0.0 -1,-0.3 -0.982 55.3-102.9-163.6 158.1 -17.0 25.6 -6.3 4 66 A D > + 0 0 79 -2,-0.3 4,-2.2 1,-0.2 3,-0.3 -0.709 38.7 178.3 -87.7 89.1 -17.8 24.5 -9.9 5 67 A R H > S+ 0 0 79 -2,-1.3 4,-3.2 1,-0.2 5,-0.2 0.761 73.3 62.8 -68.9 -25.2 -17.2 20.8 -9.4 6 68 A A H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 109.9 39.2 -64.6 -47.5 -18.2 19.9 -13.0 7 69 A K H > S+ 0 0 91 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.919 116.9 51.6 -64.4 -45.2 -15.3 22.0 -14.4 8 70 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.914 111.8 46.3 -59.4 -44.1 -13.0 20.8 -11.6 9 71 A E H X S+ 0 0 74 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.859 109.8 53.1 -68.9 -36.7 -13.8 17.2 -12.4 10 72 A D H X S+ 0 0 92 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.899 113.3 44.7 -64.5 -39.9 -13.4 17.6 -16.1 11 73 A T H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.941 111.0 51.8 -67.4 -49.4 -9.9 19.0 -15.5 12 74 A L H <>S+ 0 0 2 -4,-2.7 5,-3.1 1,-0.2 6,-0.8 0.831 117.7 41.2 -55.3 -32.9 -9.0 16.4 -12.9 13 75 A K H ><5S+ 0 0 120 -4,-1.7 3,-0.7 3,-0.2 -2,-0.2 0.895 112.5 50.6 -83.2 -44.4 -10.0 13.8 -15.5 14 76 A R H 3<5S+ 0 0 131 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.837 118.4 39.2 -67.2 -33.7 -8.6 15.3 -18.6 15 77 A R T 3<5S- 0 0 62 -4,-2.5 22,-0.4 -5,-0.2 -1,-0.3 0.391 113.3-124.1 -94.8 1.2 -5.2 15.8 -17.0 16 78 A F T < 5 + 0 0 88 -3,-0.7 22,-0.8 -5,-0.2 21,-0.6 0.931 58.2 148.8 57.3 55.8 -5.5 12.4 -15.3 17 79 A F S -A 32 0A 77 -2,-0.3 3,-0.6 12,-0.2 12,-0.2 -0.381 56.4-119.8 -61.0 125.3 -12.6 5.7 -12.5 21 83 A A T 3 S+ 0 0 1 10,-1.7 7,-1.5 7,-0.4 10,-0.1 -0.328 90.6 15.3 -66.8 147.5 -10.7 2.4 -12.2 22 84 A F T > >S+ 0 0 112 5,-0.2 5,-2.1 1,-0.1 3,-1.4 0.892 73.5 165.8 56.8 45.6 -11.3 -0.3 -14.9 23 85 A A G X 5S+ 0 0 58 -3,-0.6 3,-1.4 1,-0.3 -2,-0.1 0.858 71.8 54.7 -60.1 -38.5 -12.9 2.2 -17.3 24 86 A I G 3 5S+ 0 0 159 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.543 107.1 52.7 -75.5 -6.3 -12.6 -0.2 -20.2 25 87 A Y G < 5S- 0 0 197 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.219 133.1 -87.6-109.1 11.3 -14.5 -2.8 -18.2 26 88 A G T < 5S- 0 0 63 -3,-1.4 -3,-0.2 2,-0.1 -2,-0.1 0.075 70.1 -94.7 104.8 -22.0 -17.4 -0.5 -17.4 27 89 A G < - 0 0 21 -5,-2.1 2,-0.5 -7,-0.1 -5,-0.2 0.407 31.0-112.3 86.5 137.7 -15.8 1.0 -14.3 28 90 A V > - 0 0 57 -7,-1.5 3,-1.2 3,-0.2 -7,-0.4 -0.894 29.2-120.7-106.3 132.8 -16.1 -0.1 -10.6 29 91 A S T 3 S+ 0 0 52 -2,-0.5 192,-0.1 1,-0.2 3,-0.1 -0.472 94.2 20.0 -72.0 136.7 -17.8 2.3 -8.1 30 92 A G T 3 S+ 0 0 3 1,-0.2 198,-2.4 190,-0.2 199,-1.1 0.413 103.8 100.4 88.0 -1.3 -15.8 3.4 -5.1 31 93 A L < + 0 0 37 -3,-1.2 -10,-1.7 196,-0.2 2,-0.3 -0.964 47.2 178.9-121.8 134.3 -12.5 2.6 -6.8 32 94 A Y E -A 20 0A 73 -2,-0.4 2,-0.5 197,-0.3 -12,-0.2 -0.972 22.2-140.3-136.4 148.3 -10.2 5.1 -8.5 33 95 A D E -A 19 0A 82 -14,-3.2 -14,-2.4 -2,-0.3 2,-0.5 -0.935 18.1-143.9-108.0 122.6 -6.8 5.2 -10.3 34 96 A F E -A 18 0A 49 -2,-0.5 -16,-0.3 -16,-0.3 -17,-0.1 -0.734 19.3-145.7 -85.5 128.6 -4.5 8.1 -9.6 35 97 A G > - 0 0 3 -18,-1.7 4,-3.7 -2,-0.5 5,-0.3 -0.257 36.5 -78.5 -87.8 177.8 -2.5 9.2 -12.7 36 98 A P H > S+ 0 0 99 0, 0.0 4,-1.8 0, 0.0 -19,-0.1 0.824 132.6 41.8 -44.0 -46.0 1.1 10.5 -13.0 37 99 A V H > S+ 0 0 26 -21,-0.6 4,-2.6 -22,-0.4 5,-0.2 0.929 115.7 48.3 -71.5 -46.8 0.0 14.0 -11.8 38 100 A G H > S+ 0 0 0 -22,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.895 111.4 52.6 -57.8 -41.0 -2.3 12.7 -9.0 39 101 A C H X S+ 0 0 53 -4,-3.7 4,-2.9 2,-0.2 5,-0.2 0.892 108.9 48.6 -62.5 -42.7 0.6 10.4 -7.9 40 102 A A H X S+ 0 0 27 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.959 113.7 46.4 -60.9 -51.7 3.0 13.3 -7.7 41 103 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.894 114.2 50.1 -55.9 -42.6 0.5 15.4 -5.7 42 104 A K H X S+ 0 0 41 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.941 109.5 47.3 -65.6 -52.7 -0.2 12.4 -3.5 43 105 A N H X S+ 0 0 100 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.907 113.0 52.0 -53.3 -45.1 3.5 11.5 -2.7 44 106 A N H X S+ 0 0 37 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.947 108.8 49.2 -55.9 -53.4 4.0 15.2 -2.0 45 107 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 362,-0.3 -2,-0.2 0.926 114.8 46.0 -49.0 -50.4 1.0 15.2 0.4 46 108 A I H X S+ 0 0 18 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.882 111.7 48.8 -67.3 -42.1 2.4 12.1 2.1 47 109 A Q H X S+ 0 0 99 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.900 109.9 52.7 -66.3 -39.6 6.0 13.3 2.4 48 110 A T H X S+ 0 0 14 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.915 111.1 48.9 -57.9 -42.3 4.8 16.6 3.8 49 111 A W H X>S+ 0 0 2 -4,-1.9 4,-2.4 -5,-0.2 5,-0.5 0.963 106.6 54.4 -61.1 -54.6 2.8 14.5 6.3 50 112 A R H X>S+ 0 0 67 -4,-3.1 5,-1.9 1,-0.2 4,-0.6 0.929 112.8 44.1 -42.2 -57.7 5.9 12.3 7.2 51 113 A Q H <>S+ 0 0 104 -4,-2.5 5,-1.1 1,-0.2 -1,-0.2 0.920 112.7 51.8 -51.9 -50.5 7.8 15.5 8.0 52 114 A H H <5S+ 0 0 7 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.828 128.9 9.1 -64.3 -38.6 5.0 17.1 10.0 53 115 A F H X5S+ 0 0 0 -4,-2.4 4,-2.2 -3,-0.2 6,-0.3 0.837 128.4 43.8-110.7 -59.2 4.2 14.3 12.4 54 116 A I H XXS+ 0 0 17 -4,-0.6 5,-2.1 -5,-0.5 4,-0.6 0.926 123.2 35.9 -58.2 -49.3 6.7 11.4 12.2 55 117 A Q H 4 -K 178 0C 44 0, 0.0 4,-1.4 0, 0.0 3,-0.5 -0.311 26.8-113.1 -69.6 156.8 -7.7 -13.0 10.5 70 132 A E H > S+ 0 0 55 107,-2.1 4,-1.1 1,-0.2 5,-0.2 0.824 110.1 63.4 -61.1 -39.1 -11.2 -13.0 11.9 71 133 A P H > S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.901 104.6 48.0 -54.3 -44.8 -10.3 -13.6 15.6 72 134 A V H > S+ 0 0 30 -3,-0.5 4,-0.8 1,-0.2 -2,-0.2 0.953 113.5 45.6 -59.4 -52.5 -8.4 -10.3 15.7 73 135 A L H X>S+ 0 0 3 -4,-1.4 5,-1.7 1,-0.2 4,-1.6 0.553 111.2 55.3 -73.6 -6.8 -11.3 -8.4 14.1 74 136 A K H <5S+ 0 0 147 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.845 103.0 51.9 -88.0 -42.6 -13.7 -10.1 16.4 75 137 A T H <5S+ 0 0 62 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.729 112.1 52.6 -58.7 -20.6 -11.8 -9.0 19.6 76 138 A S H <5S- 0 0 15 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.948 111.9-125.2 -79.9 -56.4 -12.3 -5.7 17.8 77 139 A G T <5 + 0 0 25 -4,-1.6 5,-0.2 -5,-0.1 4,-0.2 0.306 67.3 131.6 130.0 6.5 -16.0 -6.0 17.4 78 140 A H < + 0 0 20 -5,-1.7 2,-1.3 3,-0.2 4,-0.3 0.464 41.3 86.9 -80.2 -7.7 -16.0 -5.5 13.7 79 141 A V S S- 0 0 53 -6,-0.5 -1,-0.1 1,-0.2 4,-0.1 -0.776 122.1 -16.1 -87.7 89.9 -18.1 -8.3 12.5 80 142 A D S S+ 0 0 82 -2,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.728 125.6 75.8 79.5 28.0 -21.4 -6.4 12.9 81 143 A K S S+ 0 0 197 -4,-0.2 -3,-0.2 80,-0.0 -2,-0.1 0.180 103.3 47.2-120.6 0.6 -20.6 -3.5 15.1 82 144 A F S S+ 0 0 30 -4,-0.3 82,-1.7 -5,-0.2 2,-0.3 -0.430 95.2 108.3-129.3 49.1 -19.0 -2.0 11.9 83 145 A A E -M 163 0D 21 80,-0.2 80,-0.3 81,-0.1 2,-0.3 -0.822 55.6-140.3-121.9 162.1 -21.9 -2.8 9.6 84 146 A D E -M 162 0D 22 78,-2.9 78,-4.5 -2,-0.3 2,-0.5 -0.781 27.6-100.4-115.9 169.4 -24.4 -0.6 7.8 85 147 A F E -M 161 0D 40 -2,-0.3 13,-3.1 76,-0.2 2,-0.4 -0.793 33.9-165.2 -94.1 125.3 -28.1 -1.2 7.2 86 148 A M E -MN 160 97D 23 74,-2.5 74,-1.9 -2,-0.5 2,-0.5 -0.877 8.1-159.5-105.1 139.5 -29.2 -2.4 3.8 87 149 A V E - N 0 96D 0 9,-2.1 9,-1.1 -2,-0.4 2,-0.3 -0.977 15.5-154.3-114.5 117.5 -32.7 -2.4 2.5 88 150 A K E - N 0 95D 102 -2,-0.5 69,-3.5 70,-0.3 2,-0.4 -0.669 22.8-109.9 -91.4 145.9 -33.2 -4.8 -0.4 89 151 A D E > -ON 156 93D 16 5,-1.6 4,-0.6 4,-0.8 67,-0.2 -0.623 32.9-121.3 -74.9 126.2 -35.9 -4.3 -3.1 90 152 A V T 4 S- 0 0 79 65,-1.8 -1,-0.1 -2,-0.4 66,-0.1 0.649 92.0 -6.5 -53.5 -24.8 -38.5 -7.1 -2.5 91 153 A K T 4 S+ 0 0 196 64,-0.3 2,-2.5 3,-0.1 -1,-0.1 0.486 124.9 55.6-129.6 -69.2 -38.1 -8.6 -6.0 92 154 A N T 4 S- 0 0 151 1,-0.1 2,-2.0 -4,-0.1 -2,-0.1 -0.030 95.2-129.6 -70.8 42.7 -35.9 -6.9 -8.6 93 155 A G E < +N 89 0D 40 -2,-2.5 -4,-0.8 -4,-0.6 -1,-0.1 -0.298 49.2 147.7 76.5 -64.1 -32.9 -6.9 -6.3 94 156 A E E - 0 0 73 -2,-2.0 -5,-1.6 -6,-0.2 2,-0.3 0.351 36.1-138.3 -35.3 140.1 -31.2 -3.6 -5.9 95 157 A C E -N 88 0D 47 -7,-0.2 2,-0.3 123,-0.1 -7,-0.2 -0.760 20.3-176.7-103.4 145.4 -29.6 -2.7 -2.6 96 158 A F E -N 87 0D 26 -9,-1.1 -9,-2.1 -2,-0.3 2,-0.5 -0.955 33.2-105.5-137.9 155.5 -29.6 0.6 -0.8 97 159 A R E > -N 86 0D 54 -2,-0.3 4,-2.6 -11,-0.2 5,-0.2 -0.726 26.5-148.9 -82.2 124.2 -28.2 2.2 2.4 98 160 A A H > S+ 0 0 0 -13,-3.1 4,-2.2 -2,-0.5 5,-0.2 0.869 94.1 54.5 -65.7 -41.6 -31.0 2.5 5.0 99 161 A D H > S+ 0 0 42 -14,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.918 114.7 41.9 -51.0 -47.9 -29.7 5.7 6.6 100 162 A H H > S+ 0 0 107 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.912 112.5 49.3 -76.2 -47.5 -29.6 7.4 3.3 101 163 A L H X S+ 0 0 13 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.936 115.6 46.9 -54.4 -47.4 -32.9 6.3 1.8 102 164 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.935 111.8 48.3 -62.3 -50.4 -34.6 7.3 5.0 103 165 A K H X S+ 0 0 100 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.924 115.3 46.4 -56.3 -45.9 -32.9 10.7 5.3 104 166 A A H X S+ 0 0 40 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.909 111.6 50.4 -63.6 -45.3 -33.8 11.4 1.6 105 167 A H H X S+ 0 0 26 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.916 112.0 47.3 -60.3 -46.2 -37.4 10.2 2.0 106 168 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.940 110.5 51.5 -61.7 -48.2 -38.0 12.4 5.0 107 169 A Q H X S+ 0 0 102 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.832 111.5 50.3 -57.5 -33.8 -36.4 15.4 3.3 108 170 A K H < S+ 0 0 134 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.989 114.1 39.9 -67.6 -62.5 -38.7 14.8 0.4 109 171 A L H >< S+ 0 0 66 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.798 116.1 56.5 -54.8 -29.8 -42.0 14.5 2.3 110 172 A M H 3< S+ 0 0 27 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.889 102.2 51.1 -74.4 -41.7 -40.7 17.4 4.5 111 173 A S T 3< S+ 0 0 93 -4,-1.9 2,-0.6 -3,-0.3 -1,-0.2 0.207 83.1 111.9 -84.6 16.4 -40.2 19.9 1.7 112 174 A D X - 0 0 66 -3,-0.8 3,-1.2 -4,-0.1 -3,-0.0 -0.835 67.7-142.7 -86.0 124.6 -43.7 19.2 0.5 113 175 A K T 3 S+ 0 0 199 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.209 93.0 64.0 -80.4 17.2 -45.6 22.4 1.1 114 176 A K T 3 S+ 0 0 180 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.028 80.8 104.9-122.2 24.8 -48.8 20.6 2.1 115 177 A C S < S- 0 0 33 -3,-1.2 2,-0.0 -5,-0.2 -5,-0.0 -0.749 75.2-103.4-103.4 152.5 -47.4 18.9 5.2 116 178 A S > - 0 0 65 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.324 16.8-126.5 -74.8 155.8 -48.1 20.0 8.8 117 179 A V H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.869 114.1 55.2 -64.4 -37.7 -45.6 22.0 10.9 118 180 A E H > S+ 0 0 165 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.790 106.0 51.7 -69.9 -28.7 -46.0 19.3 13.6 119 181 A K H > S+ 0 0 55 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.958 106.7 52.1 -65.3 -54.6 -45.0 16.7 11.0 120 182 A K H X S+ 0 0 72 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.874 113.0 46.8 -48.0 -39.7 -41.9 18.7 10.1 121 183 A S H X S+ 0 0 74 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.861 111.8 49.0 -73.7 -37.6 -41.1 18.7 13.8 122 184 A E H X S+ 0 0 95 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.911 112.4 49.6 -63.6 -43.2 -41.7 15.0 14.2 123 185 A M H X S+ 0 0 3 -4,-3.4 4,-2.0 2,-0.2 -2,-0.2 0.824 111.3 46.6 -69.8 -35.0 -39.5 14.2 11.2 124 186 A E H X S+ 0 0 112 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.856 104.5 61.2 -74.0 -37.3 -36.6 16.4 12.4 125 187 A S H < S+ 0 0 66 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.775 111.2 43.9 -52.5 -25.5 -37.0 14.7 15.8 126 188 A V H >< S+ 0 0 10 -4,-0.6 3,-1.7 2,-0.1 -2,-0.2 0.870 106.7 54.4 -90.3 -43.4 -36.2 11.7 13.7 127 189 A L H >< S+ 0 0 41 -4,-2.0 3,-0.6 1,-0.3 4,-0.2 0.729 102.6 61.3 -64.1 -22.2 -33.3 12.9 11.5 128 190 A A T 3< S+ 0 0 77 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 0.359 109.4 40.7 -87.4 5.2 -31.5 13.9 14.7 129 191 A Q T X> S+ 0 0 82 -3,-1.7 3,-1.5 -5,-0.1 4,-0.8 0.217 77.0 116.3-133.2 10.5 -31.4 10.3 15.9 130 192 A L G X4 S+ 0 0 20 -3,-0.6 3,-1.0 1,-0.3 2,-0.5 0.901 76.4 50.4 -47.9 -54.2 -30.7 8.4 12.7 131 193 A D G 34 S+ 0 0 109 1,-0.2 -1,-0.3 -4,-0.2 -4,-0.0 -0.010 110.8 52.7 -81.0 33.4 -27.3 7.1 13.8 132 194 A N G <4 S+ 0 0 99 -3,-1.5 -1,-0.2 -2,-0.5 -2,-0.2 0.456 76.5 109.0-139.5 -16.5 -28.8 5.7 17.0 133 195 A Y << - 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