==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 19-SEP-08 2ZT8 . COMPND 2 MOLECULE: GLYCYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.T.GUO,X.L.YANG,P.SCHIMMEL . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 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 . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 3.2 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 2 2 2 0 1 4 2 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 PARALLEL BRIDGES PER LADDER . 1 3 6 3 2 0 1 0 1 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 . 3 1 1 1 0 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 64 A I 0 0 220 0, 0.0 2,-0.2 0, 0.0 334,-0.0 0.000 360.0 360.0 360.0 117.2 19.0 -33.1 63.0 2 65 A V - 0 0 45 396,-0.0 2,-0.8 4,-0.0 3,-0.2 -0.784 360.0-109.8-127.9 172.0 19.0 -30.3 60.4 3 66 A D > + 0 0 74 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 -0.694 32.0 176.2-106.6 79.3 20.5 -29.7 57.0 4 67 A R H > S+ 0 0 82 -2,-0.8 4,-2.5 2,-0.2 5,-0.3 0.881 80.9 53.5 -47.8 -44.3 23.1 -26.9 57.6 5 68 A A H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.986 113.8 37.4 -53.5 -73.0 24.2 -27.2 54.0 6 69 A K H > S+ 0 0 49 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.803 119.4 50.9 -50.3 -38.1 20.7 -26.8 52.3 7 70 A M H >X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 3,-0.8 0.985 106.5 49.3 -68.1 -59.8 19.6 -24.2 54.9 8 71 A E H 3X S+ 0 0 40 -4,-2.5 4,-2.7 1,-0.3 5,-0.3 0.913 111.3 54.7 -43.8 -47.6 22.6 -21.8 54.7 9 72 A D H 3X S+ 0 0 105 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.3 0.871 111.4 42.2 -54.7 -43.1 22.1 -22.0 51.0 10 73 A T H S+ 0 0 0 -4,-3.0 5,-3.1 1,-0.2 6,-0.7 0.885 113.6 43.0 -54.4 -44.0 19.1 -18.3 53.9 12 75 A K H <5S+ 0 0 51 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.821 111.5 54.6 -74.2 -32.0 21.7 -16.6 51.8 13 76 A R H <5S+ 0 0 149 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.849 112.1 42.0 -71.2 -35.4 19.8 -16.9 48.5 14 77 A R T <5S- 0 0 67 -4,-2.2 22,-0.4 -5,-0.1 -1,-0.2 0.466 117.8-121.3 -87.5 -1.7 16.7 -15.1 50.0 15 78 A F T 5 + 0 0 90 -5,-0.3 22,-0.9 2,-0.2 -3,-0.2 0.924 64.2 146.4 62.1 52.9 19.2 -12.8 51.6 16 79 A F S -A 31 0A 83 -2,-0.3 3,-0.6 12,-0.2 12,-0.3 -0.527 55.4-120.3 -74.9 128.9 29.1 -12.7 53.7 20 83 A A T 3 S+ 0 0 2 10,-1.7 7,-0.8 7,-0.3 4,-0.1 -0.352 95.1 9.8 -64.2 144.5 30.3 -9.2 54.4 21 84 A F T > >S+ 0 0 118 5,-0.2 5,-1.2 2,-0.1 3,-1.0 0.943 79.0 172.2 47.4 57.8 32.4 -7.7 51.7 22 85 A A G X 5 + 0 0 62 -3,-0.6 3,-2.3 1,-0.3 2,-0.6 0.949 68.9 59.5 -60.6 -52.2 31.6 -10.6 49.3 23 86 A I G 3 5S+ 0 0 154 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.144 106.6 50.8 -68.1 24.3 33.3 -9.1 46.3 24 87 A Y G < 5S- 0 0 194 -3,-1.0 -1,-0.3 -2,-0.6 -2,-0.2 0.131 127.9 -91.3-142.6 14.0 36.6 -8.9 48.2 25 88 A G T < 5 - 0 0 64 -3,-2.3 -3,-0.2 -6,-0.1 -2,-0.1 0.100 68.4-115.6 92.3 -22.3 36.7 -12.5 49.4 26 89 A G < - 0 0 24 -5,-1.2 2,-0.4 -7,-0.1 -5,-0.2 0.229 24.2 -89.2 74.1 159.7 34.9 -11.3 52.5 27 90 A V > - 0 0 63 -7,-0.8 3,-1.3 3,-0.2 -7,-0.3 -0.871 40.7-110.8-107.9 140.2 36.1 -11.2 56.1 28 91 A S T 3 S+ 0 0 58 -2,-0.4 199,-0.1 1,-0.2 192,-0.1 -0.417 99.9 18.7 -69.6 140.5 35.5 -14.1 58.5 29 92 A G T 3 S+ 0 0 0 190,-0.3 198,-1.5 1,-0.2 2,-0.4 0.510 104.5 103.0 79.1 3.3 33.0 -13.6 61.3 30 93 A L < + 0 0 34 -3,-1.3 -10,-1.7 196,-0.2 2,-0.3 -0.981 42.2 163.2-122.9 129.9 31.4 -10.7 59.5 31 94 A Y E -A 19 0A 45 -2,-0.4 2,-0.4 -12,-0.3 -12,-0.2 -0.938 28.5-130.0-140.1 161.2 28.1 -10.9 57.6 32 95 A D E -A 18 0A 81 -14,-2.2 -14,-1.7 -2,-0.3 2,-0.6 -0.915 18.6-131.4-115.5 142.4 25.5 -8.5 56.3 33 96 A F - 0 0 66 -2,-0.4 -16,-0.3 -16,-0.2 -17,-0.1 -0.825 20.7-155.0 -98.0 118.4 21.8 -8.8 56.9 34 97 A G > - 0 0 1 -2,-0.6 4,-2.9 -18,-0.4 3,-0.3 -0.240 40.1 -76.3 -80.0 175.0 19.6 -8.5 53.8 35 98 A P H > S+ 0 0 96 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.857 129.6 39.4 -36.0 -70.8 15.9 -7.3 53.8 36 99 A V H > S+ 0 0 21 -22,-0.4 4,-2.6 1,-0.2 5,-0.2 0.870 115.9 55.7 -55.3 -35.5 14.1 -10.4 55.2 37 100 A G H > S+ 0 0 0 -22,-0.9 4,-2.9 -3,-0.3 -1,-0.2 0.970 110.5 43.9 -59.5 -52.3 16.9 -10.8 57.6 38 101 A C H X S+ 0 0 44 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.950 111.7 53.0 -56.3 -53.4 16.4 -7.3 58.9 39 102 A A H X S+ 0 0 33 -4,-3.1 4,-0.6 1,-0.2 -1,-0.2 0.903 116.1 39.9 -48.7 -48.6 12.7 -7.7 59.0 40 103 A L H X S+ 0 0 0 -4,-2.6 4,-1.1 -5,-0.2 3,-0.3 0.846 114.1 53.3 -70.9 -36.5 13.0 -10.8 61.1 41 104 A K H X S+ 0 0 42 -4,-2.9 4,-1.4 -5,-0.2 -2,-0.2 0.807 110.9 47.4 -69.2 -29.0 15.9 -9.4 63.2 42 105 A N H < S+ 0 0 76 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.603 106.1 58.3 -86.8 -13.7 13.8 -6.4 64.0 43 106 A N H X S+ 0 0 45 -4,-0.6 4,-2.1 -3,-0.3 -2,-0.2 0.744 108.3 47.0 -83.5 -26.2 10.8 -8.6 64.9 44 107 A I H X S+ 0 0 2 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.885 111.5 46.7 -81.9 -42.6 12.9 -10.3 67.5 45 108 A I H X S+ 0 0 22 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.747 117.4 48.8 -70.1 -20.9 14.4 -7.1 69.1 46 109 A Q H > S+ 0 0 99 -4,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.911 110.4 46.1 -82.3 -47.8 10.8 -5.9 69.1 47 110 A T H X S+ 0 0 16 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.846 113.8 53.7 -61.9 -32.9 9.3 -9.0 70.6 48 111 A W H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.3 0.938 100.1 57.9 -67.0 -49.5 12.1 -8.8 73.1 49 112 A R H <>S+ 0 0 59 -4,-1.5 5,-3.3 2,-0.2 6,-0.3 0.853 111.6 43.3 -50.3 -39.4 11.4 -5.2 74.1 50 113 A Q H <>S+ 0 0 95 -4,-1.4 5,-2.6 3,-0.2 6,-0.2 0.995 111.1 52.2 -67.7 -65.3 7.9 -6.2 75.1 51 114 A H H <5S+ 0 0 7 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.675 133.2 6.5 -43.3 -26.7 8.8 -9.4 76.9 52 115 A F T X5S+ 0 0 1 -4,-1.9 4,-1.6 -5,-0.1 6,-0.4 0.639 129.2 39.3-124.4 -76.3 11.3 -7.5 79.0 53 116 A I T 4>S+ 0 0 16 -5,-0.3 5,-2.1 1,-0.2 4,-0.3 0.909 127.4 38.0 -47.8 -47.8 11.7 -3.7 78.9 54 117 A Q T >4> -K 177 0C 46 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.636 31.4-103.5 -84.8 134.3 38.8 4.2 76.8 69 132 A E H >> S+ 0 0 56 107,-1.7 4,-1.3 -2,-0.4 3,-0.7 0.602 113.6 55.0 -11.2 -68.4 41.5 1.9 78.2 70 133 A P H >> S+ 0 0 82 0, 0.0 4,-3.3 0, 0.0 3,-0.7 0.868 100.9 58.3 -43.7 -53.2 40.9 2.6 82.0 71 134 A V H <> S+ 0 0 24 -3,-1.6 4,-1.2 1,-0.3 -2,-0.2 0.871 112.7 38.9 -49.0 -46.2 37.2 1.7 81.9 72 135 A L H <<>S+ 0 0 1 -3,-0.7 5,-2.7 -4,-0.6 6,-1.6 0.649 114.0 55.6 -81.8 -15.6 37.9 -1.8 80.7 73 136 A K H X<5S+ 0 0 105 -4,-1.3 3,-1.0 -3,-0.7 -2,-0.2 0.902 107.5 49.1 -78.6 -44.0 41.0 -2.1 82.8 74 137 A T H 3<5S+ 0 0 32 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.849 109.6 51.8 -61.7 -36.7 39.0 -1.3 85.9 75 138 A S T 3<5S- 0 0 0 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.606 115.4-120.5 -76.3 -11.4 36.4 -4.0 84.9 76 139 A G T <>5S+ 0 0 5 -3,-1.0 4,-1.3 -4,-0.2 5,-0.2 0.753 79.5 122.2 77.6 24.0 39.3 -6.4 84.5 77 140 A H H >< + 0 0 2 -5,-2.7 4,-1.3 2,-0.2 -4,-0.2 0.846 64.4 61.5 -84.3 -38.2 38.6 -7.0 80.8 78 141 A V H 4 S+ 0 0 31 -6,-1.6 -1,-0.2 -9,-0.2 -5,-0.1 0.744 118.0 35.2 -59.1 -20.2 42.0 -5.9 79.6 79 142 A D H 4 S+ 0 0 80 -7,-0.3 -2,-0.2 -6,-0.1 -1,-0.1 0.876 126.7 21.7 -96.9 -81.4 43.2 -8.9 81.8 80 143 A K H < S+ 0 0 135 -4,-1.3 2,-1.2 1,-0.1 -3,-0.2 0.476 94.9 99.7 -73.5 -3.7 40.9 -11.9 82.0 81 144 A F < + 0 0 25 -4,-1.3 82,-0.8 -5,-0.2 83,-0.5 -0.685 61.2 86.3 -91.2 95.6 39.0 -11.4 78.7 82 145 A A E -M 162 0D 29 -2,-1.2 2,-0.3 80,-0.3 80,-0.2 -0.980 63.4-117.1-173.3 167.5 40.5 -13.6 76.1 83 146 A D E -M 161 0D 18 78,-2.0 78,-2.8 -2,-0.3 2,-0.6 -0.858 36.2-104.6-117.0 152.5 40.6 -17.0 74.5 84 147 A F E -M 160 0D 41 -2,-0.3 13,-1.6 76,-0.2 14,-0.8 -0.677 43.9-173.1 -80.9 119.1 43.5 -19.5 74.4 85 148 A M E -MN 159 96D 23 74,-1.6 74,-1.8 -2,-0.6 2,-0.3 -0.908 11.2-175.0-118.2 142.9 45.1 -19.5 70.9 86 149 A V E - N 0 95D 0 9,-2.2 9,-1.7 -2,-0.4 2,-0.3 -0.814 4.9-164.3-125.7 166.2 47.8 -21.6 69.4 87 150 A K E - N 0 94D 100 -2,-0.3 69,-2.3 7,-0.2 7,-0.2 -0.928 28.7-106.6-158.3 130.1 49.5 -21.4 66.0 88 151 A D E > -ON 155 93D 4 5,-0.7 5,-0.5 -2,-0.3 67,-0.3 -0.332 30.6-126.3 -58.7 131.1 51.6 -23.8 64.0 89 152 A V T 5S+ 0 0 112 65,-3.2 -1,-0.2 1,-0.1 3,-0.1 0.315 99.1 65.5 -63.5 10.7 55.3 -22.8 64.1 90 153 A K T 5S+ 0 0 148 1,-0.5 2,-0.2 64,-0.1 -1,-0.1 0.739 110.6 5.1 -95.4 -95.8 55.3 -22.8 60.2 91 154 A N T 5S- 0 0 81 1,-0.1 2,-2.8 2,-0.0 -1,-0.5 -0.536 91.0 -95.7 -86.7 158.6 53.0 -20.2 58.7 92 155 A G T 5 + 0 0 76 -2,-0.2 2,-0.5 -3,-0.1 -3,-0.1 -0.331 67.5 152.9 -74.1 63.2 51.3 -17.7 61.0 93 156 A E E < -N 88 0D 73 -2,-2.8 -5,-0.7 -5,-0.5 2,-0.2 -0.836 27.4-156.5 -97.6 126.4 48.0 -19.7 61.2 94 157 A C E +N 87 0D 41 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.652 14.2 176.3-102.6 158.9 46.0 -19.2 64.4 95 158 A F E -N 86 0D 3 -9,-1.7 -9,-2.2 -2,-0.2 2,-1.1 -0.979 39.7-107.5-155.3 146.6 43.4 -21.4 66.1 96 159 A R E >> -N 85 0D 28 -2,-0.3 4,-2.0 -11,-0.2 3,-1.6 -0.715 28.9-155.2 -81.5 104.6 41.4 -21.1 69.3 97 160 A A H 3> S+ 0 0 0 -13,-1.6 4,-1.9 -2,-1.1 5,-0.4 0.921 88.4 67.9 -40.2 -61.3 43.1 -23.7 71.4 98 161 A D H 34 S+ 0 0 13 -14,-0.8 4,-0.5 1,-0.2 -1,-0.3 0.758 113.1 30.5 -27.8 -46.8 40.0 -24.2 73.5 99 162 A H H <> S+ 0 0 67 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.865 109.8 62.5 -89.5 -41.6 38.3 -25.7 70.5 100 163 A L H X S+ 0 0 20 -4,-2.0 4,-2.7 1,-0.3 -2,-0.2 0.905 104.1 51.0 -52.6 -45.9 41.1 -27.4 68.5 101 164 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.895 110.3 51.0 -58.3 -39.4 41.8 -29.8 71.4 102 165 A K H > S+ 0 0 90 -4,-0.5 4,-1.8 -5,-0.4 -1,-0.2 0.857 108.6 51.2 -66.4 -36.4 38.1 -30.6 71.4 103 166 A A H X S+ 0 0 32 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.942 110.6 48.8 -65.7 -48.2 38.1 -31.2 67.7 104 167 A H H >X S+ 0 0 50 -4,-2.7 4,-1.9 1,-0.2 3,-0.9 0.971 110.2 49.6 -54.5 -61.3 41.1 -33.6 68.0 105 168 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.3 5,-0.3 0.861 107.7 53.7 -48.3 -44.9 39.5 -35.6 70.9 106 169 A Q H 3X S+ 0 0 91 -4,-1.8 4,-1.3 1,-0.2 -1,-0.3 0.877 106.7 54.0 -60.2 -35.7 36.3 -36.1 69.0 107 170 A K H < S- 0 0 75 -4,-1.3 3,-1.1 -3,-0.4 -4,-0.0 -0.583 77.4-136.2 -73.9 125.8 37.8 -43.7 65.3 112 175 A K T 3 S+ 0 0 188 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.671 94.8 80.6 -54.1 -20.2 36.8 -47.4 65.9 113 176 A K T 3 S+ 0 0 188 2,-0.1 2,-0.4 -5,-0.0 -1,-0.3 0.229 73.4 107.2 -74.9 17.3 40.3 -48.2 67.0 114 177 A C S < S- 0 0 32 -3,-1.1 2,-0.3 -5,-0.1 -5,-0.0 -0.818 71.7-123.8-105.8 138.2 39.6 -46.7 70.5 115 178 A S >> - 0 0 65 -2,-0.4 4,-2.4 1,-0.2 3,-2.0 -0.574 22.0-127.3 -74.4 131.4 39.1 -48.6 73.7 116 179 A V H 3> S+ 0 0 115 -2,-0.3 4,-1.8 1,-0.3 -1,-0.2 0.741 111.0 62.9 -50.4 -21.5 35.7 -47.8 75.3 117 180 A E H 3> S+ 0 0 163 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.817 107.2 38.2 -75.3 -33.0 37.9 -47.1 78.4 118 181 A K H <> S+ 0 0 83 -3,-2.0 4,-3.2 2,-0.2 5,-0.2 0.879 112.8 57.5 -83.0 -41.5 39.8 -44.2 76.8 119 182 A K H X S+ 0 0 95 -4,-2.4 4,-2.3 1,-0.3 -2,-0.2 0.946 107.1 48.2 -50.7 -53.8 36.7 -42.9 74.9 120 183 A S H X S+ 0 0 66 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.3 0.818 112.9 50.6 -57.5 -32.9 34.9 -42.5 78.3 121 184 A E H X S+ 0 0 93 -4,-0.6 4,-0.8 -3,-0.2 -2,-0.2 0.946 107.4 50.4 -71.0 -51.3 38.0 -40.8 79.6 122 185 A M H >X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 3,-1.5 0.892 105.2 57.4 -55.1 -43.2 38.4 -38.3 76.7 123 186 A E H >X S+ 0 0 92 -4,-2.3 4,-3.0 1,-0.3 3,-1.3 0.956 103.4 54.2 -50.7 -51.2 34.7 -37.3 77.1 124 187 A S H 3< S+ 0 0 64 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.708 105.9 53.8 -55.6 -22.4 35.5 -36.4 80.7 125 188 A V H << S+ 0 0 13 -3,-1.5 3,-0.4 -4,-0.8 4,-0.3 0.761 111.3 43.5 -84.1 -27.9 38.3 -34.2 79.3 126 189 A L H X< S+ 0 0 34 -4,-1.5 2,-1.0 -3,-1.3 3,-0.9 0.831 102.8 67.2 -83.0 -35.4 35.8 -32.4 77.0 127 190 A A T 3< S+ 0 0 51 -4,-3.0 -1,-0.2 1,-0.2 140,-0.1 -0.076 113.3 31.4 -77.4 37.6 33.3 -32.1 79.8 128 191 A Q T >> S+ 0 0 57 -2,-1.0 3,-3.4 -3,-0.4 4,-1.0 0.250 80.7 119.6-165.6 -11.4 35.6 -29.8 81.6 129 192 A L T <4 S+ 0 0 5 -3,-0.9 3,-0.4 1,-0.3 -2,-0.1 0.734 73.1 56.1 -36.0 -44.0 37.4 -28.0 78.7 130 193 A D T 34 S+ 0 0 78 -4,-0.3 -1,-0.3 1,-0.2 -3,-0.1 0.629 105.0 53.9 -71.4 -11.9 36.2 -24.5 79.7 131 194 A N T <4 S+ 0 0 21 -3,-3.4 2,-0.3 188,-0.1 -1,-0.2 0.731 81.1 109.1 -89.8 -27.3 37.7 -25.0 83.2 132 195 A Y < - 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0 0 95 -3,-1.2 2,-0.4 -5,-0.2 -3,-0.2 0.972 22.7-156.4 56.1 62.8 49.7 -34.2 70.6 146 209 A V < + 0 0 7 -5,-1.0 9,-0.5 -6,-0.2 2,-0.4 -0.577 18.2 178.9 -72.7 124.3 47.4 -31.5 69.1 147 210 A K - 0 0 63 -2,-0.4 5,-0.2 7,-0.1 7,-0.2 -0.976 41.1 -67.2-132.9 145.2 48.7 -30.5 65.7 148 211 A S - 0 0 3 -2,-0.4 4,-0.3 5,-0.2 -1,-0.1 0.163 41.5-133.2 -26.6 124.8 47.5 -28.1 63.0 149 212 A P S S+ 0 0 69 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.892 94.6 48.3 -54.0 -41.7 44.2 -29.3 61.5 150 213 A I S > S- 0 0 93 1,-0.2 3,-0.6 0, 0.0 -2,-0.0 -0.820 131.5 -3.7-103.6 142.8 45.5 -28.6 58.1 151 214 A T T 3 S- 0 0 102 -2,-0.4 -1,-0.2 1,-0.2 -3,-0.2 0.822 98.4-118.9 44.3 38.1 49.0 -29.9 57.0 152 215 A G T 3 + 0 0 40 -3,-0.4 -1,-0.2 -4,-0.3 2,-0.1 0.413 55.8 157.6 -6.9 82.7 49.4 -31.1 60.5 153 216 A N < - 0 0 26 -3,-0.6 2,-0.6 1,-0.0 -5,-0.2 0.016 50.5 -67.6 -97.9-151.3 52.4 -29.0 61.6 154 217 A D - 0 0 99 -7,-0.2 -65,-3.2 -2,-0.1 -7,-0.1 -0.900 44.5-142.8-114.8 109.8 53.4 -28.1 65.2 155 218 A L B -O 88 0D 23 -2,-0.6 -67,-0.3 -9,-0.5 -61,-0.1 -0.397 20.4-118.2 -67.8 137.1 51.1 -25.8 67.1 156 219 A S - 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0 0 10 -115,-2.9 33,-1.7 -2,-0.7 -1,-0.1 -0.031 28.4-161.4 -38.4 114.7 33.0 -2.6 74.1 181 244 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.529 81.2 18.3 -78.3 -6.2 32.8 -6.4 74.2 182 245 A E - 0 0 3 29,-0.1 4,-0.2 -117,-0.1 3,-0.1 -0.970 69.7-133.3-158.3 154.5 29.6 -6.0 76.2 183 246 A T S >> S+ 0 0 1 -2,-0.3 3,-2.0 1,-0.2 4,-0.8 0.843 88.1 84.8 -81.5 -34.8 27.1 -3.2 76.8 184 247 A A H >> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 3,-1.0 0.776 74.7 67.7 -33.9 -55.7 26.9 -3.5 80.6 185 248 A Q H 3> S+ 0 0 6 1,-0.3 4,-3.1 2,-0.2 -1,-0.3 0.826 101.2 50.5 -40.6 -41.0 29.9 -1.4 81.4 186 249 A G H <4 S+ 0 0 13 -3,-2.0 4,-0.4 1,-0.2 -1,-0.3 0.899 107.1 52.4 -66.8 -40.4 28.0 1.7 80.2 187 250 A I H << S+ 0 0 0 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.775 114.6 45.0 -65.9 -25.4 24.9 0.8 82.3 188 251 A F H >< S+ 0 0 0 -4,-1.8 3,-3.0 1,-0.2 4,-0.3 0.933 105.9 55.5 -82.6 -51.3 27.3 0.6 85.3 189 252 A L T 3< S+ 0 0 80 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.512 112.1 49.0 -60.2 -2.2 29.3 3.8 84.6 190 253 A N T 3> S+ 0 0 39 -4,-0.4 4,-0.8 -5,-0.2 -1,-0.3 0.203 75.5 115.4-119.6 10.7 25.9 5.5 84.7 191 254 A F H X> + 0 0 1 -3,-3.0 4,-2.8 1,-0.2 3,-0.8 0.854 67.5 60.4 -49.9 -46.8 24.6 3.9 87.9 192 255 A K H 3> S+ 0 0 86 -4,-0.3 4,-1.8 1,-0.3 3,-0.5 0.956 111.7 35.4 -47.8 -67.4 24.4 7.2 89.8 193 256 A R H 3> S+ 0 0 166 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.524 117.4 57.7 -68.5 -4.4 21.9 9.0 87.6 194 257 A L H <>S+ 0 0 17 -4,-2.8 5,-2.1 -3,-0.5 3,-1.1 0.945 103.5 64.1 -61.3 -46.9 19.5 4.9 90.7 196 259 A E H ><5S+ 0 0 129 -4,-1.8 3,-2.2 -5,-0.3 -1,-0.2 0.856 94.3 58.6 -41.9 -51.2 18.0 8.4 90.8 197 260 A F H 3<5S+ 0 0 153 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.872 105.4 48.3 -50.8 -44.5 15.3 7.5 88.3 198 261 A N T X<5S- 0 0 62 -3,-1.1 3,-1.0 -4,-0.9 -1,-0.3 0.216 126.5 -99.6 -84.7 16.3 13.9 4.7 90.6 199 262 A Q T < 5 - 0 0 151 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.762 65.2 -71.7 72.8 26.7 14.0 7.1 93.6 200 263 A G T 3 S- 0 0 25 1,-0.3 3,-1.6 4,-0.2 2,-0.2 0.094 85.7-131.6 -95.5 21.7 30.8 -21.1 63.1 222 285 A G T 3 S- 0 0 9 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 -0.448 78.0 -13.7 65.8-133.8 28.7 -19.2 60.6 223 286 A L T 3 S+ 0 0 12 1,-0.2 -1,-0.3 -2,-0.2 3,-0.1 0.735 129.7 75.0 -72.6 -22.3 26.5 -16.6 62.3 224 287 A I S < S+ 0 0 3 -3,-1.6 2,-0.6 1,-0.2 -1,-0.2 0.870 99.6 40.9 -57.0 -43.3 27.1 -18.3 65.6 225 288 A R S S+ 0 0 40 -3,-0.5 2,-0.3 162,-0.0 -4,-0.2 -0.919 78.3 158.0-113.1 108.0 30.6 -16.9 65.9 226 289 A V - 0 0 14 -2,-0.6 -196,-0.2 -3,-0.1 -12,-0.2 -0.976 44.6-139.6-134.4 147.2 30.9 -13.3 64.9 227 290 A R S S+ 0 0 41 -198,-1.5 -13,-0.4 -2,-0.3 2,-0.3 0.288 95.4 32.7 -83.3 9.9 33.3 -10.4 65.5 228 291 A E S S+ 0 0 97 -199,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.862 73.8 154.0-166.3 125.5 30.5 -7.9 65.7 229 292 A F E -C 212 0B 13 -17,-2.0 -17,-2.1 -2,-0.3 2,-0.5 -0.999 41.1-110.2-158.5 161.0 26.9 -8.3 67.0 230 293 A T E +C 211 0B 32 -2,-0.3 156,-0.6 -19,-0.2 155,-0.5 -0.797 38.2 179.6 -93.0 127.0 23.8 -6.8 68.5 231 294 A M E -C 210 0B 0 -21,-3.2 -21,-1.7 -2,-0.5 2,-0.6 -0.993 23.4-143.5-134.8 138.0 23.1 -7.9 72.0 232 295 A A E -CD 209 383B 0 151,-1.3 151,-3.4 -2,-0.4 2,-0.4 -0.868 25.7-174.6 -97.8 123.7 20.3 -7.0 74.4 233 296 A E E -CD 208 382B 0 -25,-2.8 -25,-1.8 -2,-0.6 2,-0.5 -0.977 13.8-163.3-128.7 131.5 21.5 -6.7 78.0 234 297 A I E -C 207 0B 0 147,-2.1 2,-0.7 -2,-0.4 -27,-0.2 -0.928 5.5-159.1-111.2 129.9 19.5 -6.1 81.2 235 298 A E E -C 206 0B 0 -29,-2.4 -29,-1.7 -2,-0.5 2,-1.1 -0.833 8.5-165.4-112.0 93.5 21.3 -5.0 84.4 236 299 A H E -CE 205 379B 16 143,-1.8 143,-2.0 -2,-0.7 2,-1.0 -0.672 3.7-161.2 -83.3 98.0 19.1 -5.9 87.4 237 300 A F E +CE 204 378B 0 -33,-1.9 -33,-1.2 -2,-1.1 2,-0.3 -0.694 21.4 170.0 -83.3 101.0 20.4 -4.0 90.4 238 301 A V E - E 0 377B 3 139,-3.0 139,-2.7 -2,-1.0 5,-0.1 -0.811 40.9 -99.8-115.1 155.0 19.1 -5.7 93.5 239 302 A D > - 0 0 8 -2,-0.3 3,-2.3 137,-0.2 -1,-0.0 -0.554 32.1-128.9 -71.1 126.5 19.8 -5.4 97.2 240 303 A P G > S+ 0 0 53 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.815 109.4 46.1 -44.2 -40.6 22.2 -8.2 98.3 241 304 A S G 3 S+ 0 0 75 1,-0.2 -2,-0.1 2,-0.0 -3,-0.0 0.616 111.1 54.7 -81.1 -12.8 19.9 -9.1 101.2 242 305 A E G < + 0 0 115 -3,-2.3 2,-4.2 1,-0.1 -1,-0.2 -0.108 58.6 145.9-113.0 35.7 16.8 -9.0 99.0 243 306 A K < + 0 0 38 -3,-0.7 44,-0.9 -5,-0.1 45,-0.7 -0.180 43.3 112.8 -66.4 53.1 17.8 -11.4 96.2 244 307 A D - 0 0 107 -2,-4.2 -1,-0.0 43,-0.2 -3,-0.0 -0.926 61.2-143.7-135.1 110.7 14.2 -12.4 96.0 245 308 A H > - 0 0 20 -2,-0.4 3,-1.0 1,-0.1 4,-0.2 -0.598 3.5-149.5 -80.2 124.4 12.0 -11.6 93.0 246 309 A P T 3 S+ 0 0 117 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.690 95.3 49.0 -60.0 -26.4 8.3 -10.7 93.7 247 310 A K T > S+ 0 0 65 1,-0.2 3,-2.9 2,-0.1 4,-0.4 0.535 74.0 110.2 -95.2 -8.1 7.0 -12.1 90.4 248 311 A F G X + 0 0 16 -3,-1.0 3,-2.1 1,-0.3 4,-0.3 0.794 63.7 72.0 -34.4 -50.7 8.7 -15.5 90.5 249 312 A Q G 3 S+ 0 0 138 1,-0.3 3,-0.5 -3,-0.2 4,-0.4 0.645 88.5 65.4 -46.0 -18.2 5.5 -17.4 91.1 250 313 A N G < S+ 0 0 116 -3,-2.9 -1,-0.3 1,-0.2 3,-0.2 0.881 111.9 30.9 -73.7 -39.1 4.6 -16.7 87.4 251 314 A V S X S+ 0 0 2 -3,-2.1 3,-0.6 -4,-0.4 24,-0.2 0.045 94.8 100.0-106.4 23.6 7.4 -18.8 86.0 252 315 A A T 3 S+ 0 0 1 -3,-0.5 24,-2.2 -4,-0.3 25,-0.3 0.915 76.4 52.6 -75.6 -45.2 7.4 -21.3 88.9 253 316 A D T 3 S+ 0 0 105 -4,-0.4 2,-0.3 -3,-0.2 -1,-0.2 0.215 79.9 120.6 -79.2 17.0 5.5 -24.1 87.3 254 317 A L < - 0 0 34 -3,-0.6 21,-2.1 1,-0.0 2,-0.8 -0.653 54.3-148.8 -82.6 136.4 7.7 -24.2 84.2 255 318 A H + 0 0 104 -2,-0.3 2,-0.4 19,-0.2 19,-0.3 -0.872 31.1 162.1-108.6 100.3 9.4 -27.6 83.7 256 319 A L - 0 0 5 -2,-0.8 17,-0.7 17,-0.3 55,-0.1 -0.950 43.5-102.3-127.7 142.6 12.7 -27.0 82.0 257 320 A Y E -F 272 0B 91 -2,-0.4 55,-1.5 53,-0.3 2,-0.4 -0.327 40.1-171.7 -57.9 126.6 15.9 -29.0 81.5 258 321 A L E -Fg 271 312B 4 13,-3.6 13,-1.5 53,-0.2 2,-0.3 -0.961 18.1-164.7-124.9 142.0 18.7 -27.9 84.0 259 322 A Y E - g 0 313B 41 53,-2.3 55,-1.8 -2,-0.4 11,-0.1 -0.664 22.8-158.3-126.8 74.1 22.3 -29.1 84.0 260 323 A S > - 0 0 21 -2,-0.3 4,-0.7 53,-0.2 5,-0.1 0.179 31.7-106.5 -45.4 167.1 23.6 -28.0 87.4 261 324 A A H > S+ 0 0 26 22,-0.2 4,-1.1 2,-0.2 3,-0.3 0.857 123.5 51.2 -66.7 -34.4 27.3 -27.5 88.1 262 325 A K H >> S+ 0 0 165 1,-0.2 4,-4.6 2,-0.2 3,-1.3 0.970 101.0 57.4 -65.8 -56.2 27.1 -30.8 90.0 263 326 A A H 34>S+ 0 0 2 1,-0.3 5,-2.3 2,-0.2 -1,-0.2 0.702 109.0 50.7 -49.1 -20.2 25.5 -32.8 87.2 264 327 A Q H 3<5S+ 0 0 16 -4,-0.7 3,-0.5 -3,-0.3 -1,-0.3 0.794 117.6 35.6 -88.3 -33.0 28.5 -31.8 85.2 265 328 A V H <<5S+ 0 0 102 -3,-1.3 -2,-0.2 -4,-1.1 -3,-0.2 0.757 116.6 53.7 -88.9 -29.7 31.0 -32.9 87.8 266 329 A S T <5S- 0 0 62 -4,-4.6 -1,-0.2 -5,-0.1 -3,-0.1 -0.118 109.4-130.0 -93.9 34.2 28.9 -35.9 88.8 267 330 A G T 5 + 0 0 70 -3,-0.5 2,-0.3 -5,-0.2 -3,-0.2 0.612 60.4 131.3 17.6 52.8 28.9 -36.8 85.2 268 331 A Q < - 0 0 100 -5,-2.3 -2,-0.1 -6,-0.2 -1,-0.1 -0.906 59.9 -85.9-128.5 157.3 25.2 -37.3 84.9 269 332 A S - 0 0 104 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.069 47.6 -98.4 -56.9 153.5 22.4 -36.1 82.6 270 333 A A - 0 0 27 -11,-0.1 -11,-0.2 1,-0.1 2,-0.2 -0.512 40.4-129.3 -74.1 140.3 20.6 -32.8 82.9 271 334 A R E -F 258 0B 104 -13,-1.5 -13,-3.6 -2,-0.2 2,-0.9 -0.591 3.8-133.5 -93.6 153.1 17.2 -33.1 84.7 272 335 A K E +F 257 0B 128 -15,-0.3 -15,-0.3 -2,-0.2 -1,-0.0 -0.631 49.7 157.5-103.5 72.3 13.8 -31.7 83.5 273 336 A M - 0 0 17 -2,-0.9 2,-0.4 -17,-0.7 -17,-0.3 0.206 44.1-101.6 -78.2-160.6 12.8 -30.1 86.8 274 337 A R > - 0 0 52 -19,-0.3 4,-3.6 1,-0.1 5,-0.3 -0.985 25.8-125.4-128.2 135.0 10.3 -27.3 87.7 275 338 A L H > S+ 0 0 0 -21,-2.1 4,-1.3 -2,-0.4 5,-0.2 0.893 110.1 53.8 -49.9 -45.5 11.7 -23.9 88.5 276 339 A G H >> S+ 0 0 8 -24,-2.2 4,-1.7 -22,-0.2 3,-0.8 0.964 116.2 37.1 -54.0 -56.5 9.9 -23.8 91.9 277 340 A D H 3> S+ 0 0 66 -25,-0.3 4,-1.9 1,-0.2 6,-0.3 0.943 108.9 63.1 -60.5 -50.2 11.4 -27.1 93.0 278 341 A A H 3<>S+ 0 0 0 -4,-3.6 6,-2.0 1,-0.3 5,-2.0 0.756 109.6 42.6 -46.9 -27.7 14.8 -26.3 91.3 279 342 A V H X<5S+ 0 0 23 -4,-1.3 3,-1.4 -3,-0.8 -1,-0.3 0.822 109.3 57.3 -88.3 -36.6 15.0 -23.4 93.8 280 343 A E H 3<5S+ 0 0 159 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.991 106.1 48.1 -52.5 -69.7 13.7 -25.4 96.8 281 344 A Q T 3<5S- 0 0 109 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.1 0.366 119.5-115.1 -55.4 6.6 16.4 -28.0 96.5 282 345 A G T < 5S+ 0 0 51 -3,-1.4 3,-0.3 -5,-0.3 -3,-0.2 0.822 79.2 130.1 59.7 32.6 18.8 -25.0 96.2 283 346 A V S S- 0 0 10 -3,-0.1 4,-0.9 -4,-0.1 -42,-0.2 -0.290 70.2-104.7-106.3-168.9 17.7 -17.4 94.6 287 350 A T H > S+ 0 0 21 -44,-0.9 4,-3.5 2,-0.2 5,-0.2 0.730 110.2 68.6 -92.8 -27.1 14.4 -16.5 92.9 288 351 A V H > S+ 0 0 1 -45,-0.7 4,-2.0 1,-0.2 5,-0.2 0.964 106.8 43.1 -53.6 -50.9 15.7 -13.4 91.1 289 352 A L H > S+ 0 0 0 1,-0.2 4,-3.1 -46,-0.2 5,-0.3 0.933 113.1 53.6 -58.6 -48.4 17.7 -15.9 89.0 290 353 A G H X S+ 0 0 0 -4,-0.9 4,-2.2 -6,-0.2 -2,-0.2 0.912 107.1 49.4 -54.5 -49.5 14.7 -18.2 88.8 291 354 A Y H X S+ 0 0 4 -4,-3.5 4,-2.9 2,-0.2 3,-0.2 0.967 114.4 44.2 -55.8 -57.2 12.3 -15.5 87.4 292 355 A F H X S+ 0 0 4 -4,-2.0 4,-3.9 1,-0.3 5,-0.3 0.925 111.7 52.7 -54.2 -49.0 14.7 -14.4 84.7 293 356 A I H X S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 -1,-0.3 0.872 111.5 49.4 -55.9 -35.5 15.5 -18.0 83.8 294 357 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 3,-0.5 0.971 114.2 42.0 -67.1 -54.2 11.8 -18.5 83.5 295 358 A R H X S+ 0 0 33 -4,-2.9 4,-3.2 1,-0.3 -2,-0.2 0.942 110.2 57.4 -56.6 -51.4 11.2 -15.5 81.3 296 359 A I H X S+ 0 0 2 -4,-3.9 4,-1.8 1,-0.3 -1,-0.3 0.829 109.2 48.2 -49.5 -33.4 14.3 -16.2 79.3 297 360 A Y H X S+ 0 0 34 -4,-1.1 4,-2.0 -3,-0.5 -1,-0.3 0.917 110.3 49.4 -74.3 -44.2 12.7 -19.5 78.6 298 361 A L H X S+ 0 0 50 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.873 114.6 46.6 -62.5 -38.0 9.3 -18.0 77.7 299 362 A Y H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.3 0.998 112.6 44.4 -67.0 -67.8 11.0 -15.6 75.3 300 363 A L H X>S+ 0 0 0 -4,-1.8 5,-2.0 1,-0.2 4,-1.1 0.857 118.1 49.6 -43.9 -40.8 13.4 -17.9 73.4 301 364 A T H ><5S+ 0 0 46 -4,-2.0 3,-0.7 -5,-0.2 -1,-0.2 0.956 110.0 47.8 -64.3 -53.3 10.4 -20.3 73.2 302 365 A K H 3<5S+ 0 0 82 -4,-2.6 112,-0.2 1,-0.2 -2,-0.2 0.830 107.6 57.2 -58.9 -35.8 7.9 -17.6 71.9 303 366 A V H 3<5S- 0 0 0 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.817 131.0 -85.1 -67.7 -31.1 10.4 -16.5 69.3 304 367 A G T <<5S+ 0 0 11 -4,-1.1 -3,-0.2 -3,-0.7 -2,-0.1 0.297 78.4 137.2 147.6 -16.0 10.7 -20.0 67.8 305 368 A I < - 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