==== 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 01-JUN-07 2Q5I . COMPND 2 MOLECULE: GLYCYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.Z.CADER,J.REN,P.A.JAMES,L.E.BIRD,K.TALBOT,D.K.STAMMERS,OXF . 528 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 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 . 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 . 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 . 30 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 28.2 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 1 1 4 2 0 2 3 1 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 1 8 3 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 2 0 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 64 A I 0 0 224 0, 0.0 332,-0.0 0, 0.0 333,-0.0 0.000 360.0 360.0 360.0 27.5 65.1 19.0 -119.0 2 65 A V - 0 0 35 1,-0.1 2,-1.4 391,-0.1 3,-0.1 -0.235 360.0-110.2 -61.9 148.6 66.7 16.4 -116.7 3 66 A D > - 0 0 86 1,-0.2 4,-2.5 393,-0.1 5,-0.2 -0.698 37.9-175.8 -79.4 92.8 67.9 17.5 -113.2 4 67 A R H > S+ 0 0 77 -2,-1.4 4,-3.7 1,-0.2 5,-0.2 0.896 78.0 54.7 -61.3 -43.2 71.6 17.2 -113.9 5 68 A A H > S+ 0 0 67 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.918 111.9 44.2 -56.3 -46.3 72.7 18.0 -110.4 6 69 A K H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.917 116.0 46.5 -67.1 -46.5 70.4 15.2 -109.0 7 70 A M H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.944 111.5 52.0 -58.6 -50.1 71.5 12.7 -111.6 8 71 A E H X S+ 0 0 71 -4,-3.7 4,-2.2 1,-0.2 -1,-0.2 0.844 107.4 54.1 -57.5 -34.2 75.2 13.7 -111.1 9 72 A D H X S+ 0 0 90 -4,-1.7 4,-3.0 -5,-0.2 -1,-0.2 0.934 111.6 43.0 -66.7 -46.0 74.7 13.1 -107.4 10 73 A T H X S+ 0 0 2 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.948 113.7 51.6 -63.0 -49.0 73.4 9.6 -107.9 11 74 A L H <>S+ 0 0 2 -4,-3.1 5,-2.4 1,-0.2 6,-0.8 0.885 116.6 40.8 -55.8 -41.5 76.0 8.8 -110.5 12 75 A K H <5S+ 0 0 120 -4,-2.2 3,-0.5 -5,-0.2 -1,-0.2 0.928 116.7 48.5 -71.2 -46.3 78.7 10.0 -108.1 13 76 A R H <5S+ 0 0 125 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.898 116.5 39.9 -66.0 -45.3 77.2 8.3 -105.0 14 77 A R T <5S- 0 0 66 -4,-3.2 22,-0.4 -5,-0.2 -1,-0.2 0.471 113.3-121.5 -84.9 -1.5 76.6 4.9 -106.5 15 78 A F T 5 + 0 0 88 -3,-0.5 22,-0.9 -5,-0.3 21,-0.3 0.910 61.7 146.7 65.4 48.6 80.0 5.2 -108.3 16 79 A F S -A 31 0A 82 -2,-0.3 3,-0.8 12,-0.2 12,-0.3 -0.259 53.6-119.8 -57.4 133.5 86.8 12.2 -110.9 20 83 A A T 3 S+ 0 0 1 10,-2.0 7,-0.9 7,-0.5 10,-0.1 -0.474 92.9 11.0 -73.4 146.1 90.2 10.6 -111.4 21 84 A F T > >S+ 0 0 112 5,-0.2 5,-3.2 -2,-0.1 3,-1.3 0.811 77.1 161.9 57.0 36.0 92.9 11.2 -108.7 22 85 A A G X 5S+ 0 0 53 -3,-0.8 3,-2.1 1,-0.3 -2,-0.1 0.903 70.8 53.0 -52.5 -48.2 90.3 12.8 -106.4 23 86 A I G 3 5S+ 0 0 163 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.675 108.0 51.3 -66.6 -19.0 92.5 12.4 -103.4 24 87 A Y G < 5S- 0 0 206 -3,-1.3 -1,-0.3 3,-0.0 -2,-0.2 0.300 136.4 -86.1 -95.5 8.4 95.4 14.2 -105.2 25 88 A G T < 5 - 0 0 61 -3,-2.1 -3,-0.2 -4,-0.2 -2,-0.2 0.270 68.9-100.1 106.0 -8.0 93.0 17.1 -106.1 26 89 A G < - 0 0 20 -5,-3.2 2,-0.4 -7,-0.1 -5,-0.2 0.011 25.2-113.4 83.2 165.6 91.6 15.5 -109.3 27 90 A V > - 0 0 53 -7,-0.9 3,-1.4 3,-0.3 -7,-0.5 -0.965 29.1-124.0-138.3 125.0 92.5 16.0 -112.9 28 91 A S T 3 S+ 0 0 58 -2,-0.4 192,-0.1 1,-0.2 3,-0.1 -0.413 94.7 27.3 -70.9 142.9 89.9 17.5 -115.2 29 92 A G T 3 S+ 0 0 2 1,-0.2 198,-2.2 197,-0.1 199,-0.8 0.319 102.9 98.3 88.6 -6.8 88.9 15.5 -118.3 30 93 A L < + 0 0 38 -3,-1.4 -10,-2.0 196,-0.2 2,-0.4 -0.953 47.8 177.2-119.8 133.4 89.8 12.2 -116.5 31 94 A Y E -A 19 0A 65 -2,-0.4 2,-0.3 -12,-0.3 -12,-0.2 -0.997 20.8-145.3-137.7 136.6 87.3 9.9 -114.9 32 95 A D E -A 18 0A 84 -14,-2.5 -14,-2.4 -2,-0.4 2,-0.5 -0.760 20.6-138.6 -91.8 147.6 87.5 6.5 -113.1 33 96 A F E -A 17 0A 57 -2,-0.3 -16,-0.3 -16,-0.2 -17,-0.1 -0.941 15.1-149.2-110.4 128.1 84.6 4.1 -113.6 34 97 A G > - 0 0 3 -18,-1.1 4,-2.9 -2,-0.5 5,-0.3 -0.222 40.6 -74.0 -86.2-179.8 83.3 2.1 -110.6 35 98 A P H > S+ 0 0 100 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.841 131.8 38.8 -42.7 -56.8 81.7 -1.3 -110.5 36 99 A V H > S+ 0 0 22 -22,-0.4 4,-2.6 -21,-0.3 5,-0.2 0.906 115.7 55.2 -67.8 -37.6 78.2 -0.4 -111.9 37 100 A G H > S+ 0 0 0 -22,-0.9 4,-2.8 1,-0.2 -1,-0.2 0.923 109.8 45.3 -56.4 -48.2 79.9 2.0 -114.3 38 101 A C H X S+ 0 0 48 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.854 110.9 54.3 -63.7 -38.2 82.1 -0.8 -115.7 39 102 A A H X S+ 0 0 27 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.941 113.5 41.4 -59.8 -47.8 79.1 -3.2 -115.8 40 103 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.937 115.4 50.1 -66.0 -47.9 77.1 -0.7 -117.9 41 104 A K H X S+ 0 0 39 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.925 111.6 48.9 -55.6 -49.3 80.2 0.3 -120.1 42 105 A N H X S+ 0 0 95 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.832 110.6 50.5 -62.2 -35.1 80.9 -3.4 -120.7 43 106 A N H X S+ 0 0 45 -4,-1.9 4,-2.7 371,-0.2 -1,-0.2 0.877 108.6 52.1 -70.1 -39.8 77.3 -4.1 -121.7 44 107 A I H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.909 112.8 45.7 -59.1 -43.4 77.3 -1.2 -124.1 45 108 A I H X S+ 0 0 27 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.914 112.7 49.2 -68.6 -43.9 80.4 -2.6 -125.7 46 109 A Q H X S+ 0 0 101 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.910 111.3 49.6 -63.0 -41.7 79.1 -6.2 -125.8 47 110 A T H X S+ 0 0 19 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.901 110.1 52.0 -62.0 -40.6 75.9 -4.9 -127.4 48 111 A W H X>S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 5,-0.6 0.909 106.0 54.8 -60.5 -43.5 78.0 -3.0 -129.9 49 112 A R H <>S+ 0 0 65 -4,-2.4 5,-2.8 1,-0.2 6,-0.4 0.912 113.0 40.6 -58.3 -47.1 80.0 -6.1 -130.8 50 113 A Q H <>S+ 0 0 97 -4,-1.9 5,-1.1 3,-0.2 -1,-0.2 0.904 115.6 51.7 -66.7 -41.1 76.9 -8.1 -131.7 51 114 A H H <5S+ 0 0 3 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.811 132.0 6.1 -70.5 -33.2 75.2 -5.2 -133.4 52 115 A F T X5S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.775 130.2 42.1-114.3 -62.7 78.1 -4.4 -135.7 53 116 A I T 4XS+ 0 0 12 -5,-0.6 5,-2.0 1,-0.2 4,-0.4 0.936 126.2 33.0 -58.4 -50.9 81.1 -6.8 -135.6 54 117 A Q T 4> -K 177 0C 45 0, 0.0 4,-0.9 0, 0.0 3,-0.8 -0.400 32.6-110.6 -72.4 149.7 105.6 7.3 -133.8 69 132 A E H >> S+ 0 0 60 107,-2.5 4,-1.6 1,-0.2 3,-0.7 0.823 109.4 58.9 -51.4 -49.2 105.5 10.9 -135.2 70 133 A P H 3> S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.862 99.2 59.6 -54.3 -41.3 105.8 10.3 -138.9 71 134 A V H <> S+ 0 0 29 -3,-0.8 4,-1.3 1,-0.2 -2,-0.2 0.931 112.1 40.2 -46.3 -50.2 102.6 8.2 -139.0 72 135 A L H <<>S+ 0 0 2 -4,-0.9 5,-1.6 -3,-0.7 6,-1.5 0.650 107.8 60.9 -84.0 -16.9 100.7 11.2 -137.6 73 136 A K H ><5S+ 0 0 110 -4,-1.6 3,-1.8 -3,-0.2 6,-0.2 0.964 105.0 50.7 -64.0 -52.5 102.5 13.7 -139.8 74 137 A T H 3<5S+ 0 0 41 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.1 0.861 108.3 50.4 -53.0 -43.8 101.2 11.9 -142.9 75 138 A S T 3<5S- 0 0 14 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.589 113.8-122.4 -72.8 -9.8 97.6 11.9 -141.6 76 139 A G T <>5S+ 0 0 13 -3,-1.8 4,-1.7 -4,-0.3 -3,-0.2 0.626 78.7 121.8 79.9 14.1 98.1 15.7 -141.0 77 140 A H H >< + 0 0 17 -5,-1.6 4,-2.4 2,-0.2 86,-0.2 0.878 67.8 60.9 -71.9 -38.9 97.3 15.6 -137.3 78 141 A V H 4 S+ 0 0 32 -6,-1.5 -1,-0.2 1,-0.2 -5,-0.1 0.889 118.8 27.7 -54.9 -41.1 100.7 17.0 -136.4 79 142 A D H 4 S+ 0 0 101 -6,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.729 135.0 26.7 -92.9 -26.4 99.9 20.2 -138.4 80 143 A K H < S+ 0 0 174 -4,-1.7 2,-1.1 1,-0.1 -3,-0.2 0.409 87.8 92.7-126.5 -0.4 96.1 20.4 -138.2 81 144 A F S < S+ 0 0 40 -4,-2.4 82,-2.9 -5,-0.1 2,-0.3 -0.455 70.3 108.7 -95.8 63.8 94.8 18.6 -135.0 82 145 A A E -M 162 0D 26 -2,-1.1 2,-0.4 80,-0.3 80,-0.2 -0.922 58.8-140.7-138.2 155.5 94.8 21.8 -132.9 83 146 A D E -M 161 0D 21 78,-1.9 78,-1.8 -2,-0.3 2,-0.2 -0.956 38.0-107.4-111.3 138.7 92.5 24.3 -131.2 84 147 A F E -M 160 0D 61 -2,-0.4 13,-2.6 76,-0.2 14,-0.5 -0.485 42.0-161.9 -63.3 131.6 93.4 28.0 -131.2 85 148 A M E -MN 159 96D 19 74,-3.1 74,-2.3 11,-0.2 2,-0.4 -0.953 13.5-169.5-124.5 138.5 94.5 28.9 -127.7 86 149 A V E - N 0 95D 0 9,-2.8 9,-2.7 -2,-0.4 2,-0.3 -0.966 10.7-161.8-124.6 141.4 94.8 32.3 -126.1 87 150 A K E - N 0 94D 98 -2,-0.4 69,-2.8 7,-0.2 2,-0.2 -0.937 27.9 -96.1-131.2 153.2 96.5 32.9 -122.7 88 151 A D B > -O 155 0E 3 5,-2.4 4,-0.8 -2,-0.3 67,-0.2 -0.443 26.7-141.3 -68.6 126.2 96.5 35.7 -120.1 89 152 A V T 4 S+ 0 0 80 65,-2.3 -1,-0.1 -2,-0.2 66,-0.1 0.773 94.4 36.3 -60.6 -30.0 99.5 38.0 -120.5 90 153 A K T 4 S+ 0 0 161 64,-0.3 -1,-0.1 3,-0.1 65,-0.0 0.941 130.9 17.1 -87.1 -77.6 100.1 38.3 -116.7 91 154 A N T 4 S- 0 0 95 1,-0.1 -2,-0.1 2,-0.0 -1,-0.0 0.741 95.2-127.9 -75.9 -25.3 99.4 35.1 -114.8 92 155 A G < + 0 0 38 -4,-0.8 -3,-0.1 1,-0.2 2,-0.1 0.629 45.3 161.2 92.0 16.3 99.6 32.8 -117.9 93 156 A E - 0 0 57 -6,-0.1 -5,-2.4 1,-0.1 2,-0.3 -0.429 34.1-125.7 -70.1 145.5 96.3 30.9 -117.7 94 157 A C E -N 87 0D 42 -7,-0.2 2,-0.4 123,-0.1 -7,-0.2 -0.702 24.7-174.8-100.0 145.3 95.1 29.2 -121.0 95 158 A F E -N 86 0D 23 -9,-2.7 -9,-2.8 -2,-0.3 2,-0.6 -0.996 34.1-113.5-137.7 140.5 91.8 29.5 -122.7 96 159 A R E > -N 85 0D 41 -2,-0.4 4,-1.6 -11,-0.2 3,-0.4 -0.647 33.1-145.1 -71.9 117.9 90.3 27.9 -125.8 97 160 A A H > S+ 0 0 0 -13,-2.6 4,-2.2 -2,-0.6 5,-0.2 0.881 89.5 54.2 -59.9 -48.3 90.1 30.8 -128.2 98 161 A D H > S+ 0 0 30 -14,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.868 111.7 45.0 -55.5 -42.8 86.9 30.0 -130.1 99 162 A H H > S+ 0 0 88 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.846 110.6 53.8 -69.9 -37.8 84.8 29.6 -126.9 100 163 A L H X S+ 0 0 17 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.904 111.1 45.1 -67.2 -43.1 86.2 32.8 -125.2 101 164 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.934 110.9 54.2 -63.5 -47.4 85.3 34.9 -128.2 102 165 A K H X S+ 0 0 95 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.851 109.6 47.9 -56.7 -37.8 81.9 33.3 -128.5 103 166 A A H X S+ 0 0 50 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.910 111.1 51.1 -68.3 -43.0 81.2 34.2 -124.8 104 167 A H H X S+ 0 0 46 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.886 112.5 44.8 -62.3 -43.8 82.4 37.8 -125.3 105 168 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.909 111.8 51.8 -68.9 -43.5 80.1 38.4 -128.4 106 169 A Q H X S+ 0 0 90 -4,-2.0 4,-0.8 -5,-0.3 -2,-0.2 0.858 109.3 52.9 -59.4 -35.4 77.1 36.7 -126.7 107 170 A K H >< S+ 0 0 167 -4,-2.0 3,-0.8 2,-0.2 4,-0.4 0.956 112.4 42.5 -62.0 -53.8 77.8 39.1 -123.8 108 171 A L H >< S+ 0 0 57 -4,-2.1 3,-2.0 1,-0.2 6,-0.2 0.918 109.0 58.3 -60.9 -45.3 77.8 42.2 -126.0 109 172 A M H 3< S+ 0 0 31 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.705 103.1 55.2 -59.7 -20.9 74.8 41.0 -128.0 110 173 A S T << S+ 0 0 89 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.579 85.4 108.2 -85.1 -12.5 72.8 40.9 -124.7 111 174 A D < - 0 0 72 -3,-2.0 3,-0.4 -4,-0.4 -3,-0.0 -0.429 61.5-151.0 -69.7 137.7 73.6 44.5 -124.0 112 175 A K S S+ 0 0 155 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.0 0.789 97.4 60.1 -78.1 -29.1 70.7 47.0 -124.3 113 176 A K S S+ 0 0 204 2,-0.1 2,-0.2 0, 0.0 -1,-0.2 0.600 87.6 100.5 -72.1 -11.8 73.1 49.9 -125.2 114 177 A C S S- 0 0 27 -3,-0.4 2,-0.1 -6,-0.2 -5,-0.0 -0.565 75.3-122.4 -79.5 138.7 74.1 47.7 -128.2 115 178 A S > - 0 0 71 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.322 14.7-118.8 -82.1 162.5 72.7 48.6 -131.6 116 179 A V H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.922 113.3 48.9 -67.3 -46.7 70.7 46.2 -133.9 117 180 A E H > S+ 0 0 167 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.765 109.2 55.4 -66.8 -26.7 73.1 46.3 -136.8 118 181 A K H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.894 106.8 49.6 -69.3 -42.7 75.9 45.6 -134.4 119 182 A K H X S+ 0 0 51 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.934 110.6 48.6 -63.5 -46.3 74.2 42.5 -133.1 120 183 A S H X S+ 0 0 59 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.777 108.3 56.5 -64.7 -26.7 73.6 41.1 -136.6 121 184 A E H X S+ 0 0 91 -4,-1.0 4,-1.0 -5,-0.2 -1,-0.2 0.879 111.9 41.6 -66.2 -40.6 77.3 41.9 -137.3 122 185 A M H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.809 108.9 58.5 -78.9 -32.1 78.3 39.7 -134.4 123 186 A E H X S+ 0 0 121 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.899 107.9 47.6 -60.3 -41.4 75.7 37.0 -135.2 124 187 A S H < S+ 0 0 56 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.805 107.8 55.8 -69.7 -30.7 77.4 36.7 -138.6 125 188 A V H >< S+ 0 0 11 -4,-1.0 3,-1.6 1,-0.2 4,-0.3 0.922 106.8 49.7 -64.8 -44.7 80.8 36.5 -136.9 126 189 A L H >< S+ 0 0 49 -4,-2.3 3,-1.4 1,-0.3 4,-0.3 0.873 101.0 64.3 -59.1 -38.3 79.5 33.5 -134.8 127 190 A A T 3< S+ 0 0 77 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.485 112.3 35.7 -64.9 -2.7 78.3 31.9 -138.1 128 191 A Q T X> S+ 0 0 88 -3,-1.6 4,-1.6 -4,-0.1 3,-1.1 0.275 76.0 119.8-132.2 8.1 82.0 31.7 -139.2 129 192 A L T <4 S+ 0 0 21 -3,-1.4 3,-0.2 1,-0.3 -2,-0.1 0.856 81.3 46.2 -42.8 -48.2 83.9 31.0 -135.9 130 193 A D T 34 S+ 0 0 125 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.770 109.1 55.3 -72.6 -28.0 85.3 27.8 -137.2 131 194 A N T <4 S+ 0 0 80 -3,-1.1 -1,-0.2 2,-0.0 -2,-0.2 0.845 81.1 104.7 -72.5 -36.4 86.4 29.2 -140.6 132 195 A Y < - 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0 0 36 -3,-1.7 21,-3.1 20,-0.1 2,-0.6 -0.402 57.2-146.4 -64.3 138.1 63.0 3.4 -140.3 255 318 A H E +F 274 0B 96 19,-0.2 2,-0.3 20,-0.1 19,-0.2 -0.945 31.7 158.8-108.8 115.2 61.7 6.9 -139.6 256 319 A L E -F 273 0B 3 17,-2.3 17,-2.4 -2,-0.6 2,-0.5 -0.971 46.0 -97.8-140.5 152.9 64.3 9.2 -138.2 257 320 A Y E -Fg 272 311B 88 53,-0.5 55,-2.4 -2,-0.3 2,-0.4 -0.571 39.7-170.9 -72.6 117.3 65.0 12.9 -137.8 258 321 A L E -Fg 271 312B 6 13,-3.8 13,-3.0 -2,-0.5 2,-0.5 -0.915 10.8-164.2-111.4 139.4 67.4 14.0 -140.5 259 322 A Y E - g 0 313B 49 53,-3.0 55,-2.3 -2,-0.4 11,-0.1 -0.838 18.8-155.6-128.4 90.5 69.0 17.5 -140.4 260 323 A S > - 0 0 16 -2,-0.5 4,-1.7 53,-0.2 5,-0.1 -0.069 28.0-117.7 -68.7 163.4 70.4 18.3 -143.9 261 324 A A H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.840 120.2 51.5 -64.1 -34.4 73.2 20.7 -144.7 262 325 A K H > S+ 0 0 172 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.941 105.2 53.2 -66.1 -48.4 70.6 22.6 -146.8 263 326 A A H >>S+ 0 0 2 1,-0.2 5,-2.6 2,-0.2 4,-1.0 0.869 111.8 46.9 -55.6 -39.0 68.1 22.7 -143.9 264 327 A Q H <5S+ 0 0 34 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.864 114.6 45.8 -69.6 -39.8 70.8 24.3 -141.7 265 328 A V H <5S+ 0 0 107 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.932 117.4 42.6 -69.9 -47.8 71.8 26.8 -144.5 266 329 A S H <5S- 0 0 78 -4,-3.5 -1,-0.2 -5,-0.1 -2,-0.2 0.686 112.5-125.5 -69.9 -20.0 68.2 27.7 -145.3 267 330 A G T <5 + 0 0 63 -4,-1.0 2,-0.2 -5,-0.4 -3,-0.2 0.846 61.3 134.8 77.8 36.1 67.6 27.8 -141.5 268 331 A Q < - 0 0 104 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.0 -0.641 55.3 -89.0-107.9 171.9 64.6 25.4 -141.3 269 332 A S - 0 0 99 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.127 45.2 -84.7 -79.4 171.1 64.1 22.5 -138.8 270 333 A A - 0 0 33 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.2 -0.443 44.4-135.7 -70.7 149.5 65.1 18.9 -138.9 271 334 A R E -F 258 0B 98 -13,-3.0 -13,-3.8 -2,-0.1 2,-0.8 -0.916 4.9-135.1-114.4 134.6 62.8 16.5 -140.8 272 335 A K E +F 257 0B 115 -2,-0.4 2,-0.3 -15,-0.3 -15,-0.3 -0.806 42.6 172.0 -83.8 110.5 61.5 13.1 -139.7 273 336 A M E -F 256 0B 14 -17,-2.4 -17,-2.3 -2,-0.8 2,-0.5 -0.853 41.6-106.2-120.8 156.7 61.9 11.0 -142.9 274 337 A R E > -F 255 0B 57 -2,-0.3 4,-2.5 -19,-0.2 3,-0.3 -0.704 34.1-130.3 -74.5 127.0 61.7 7.4 -144.0 275 338 A L H > S+ 0 0 0 -21,-3.1 4,-1.7 -2,-0.5 -22,-0.2 0.889 108.3 50.9 -49.0 -46.4 65.3 6.2 -144.5 276 339 A G H > S+ 0 0 2 -24,-3.0 4,-2.2 1,-0.2 -1,-0.3 0.916 109.8 48.8 -56.9 -47.8 64.4 4.8 -147.9 277 340 A D H > S+ 0 0 67 -25,-0.4 4,-2.8 -3,-0.3 6,-0.2 0.909 106.4 57.6 -59.6 -45.1 62.7 8.1 -149.0 278 341 A A H <>S+ 0 0 0 -4,-2.5 6,-1.4 1,-0.2 5,-1.3 0.869 109.5 44.8 -53.5 -41.8 65.7 10.1 -147.9 279 342 A V H ><5S+ 0 0 20 -4,-1.7 3,-0.8 -5,-0.2 -1,-0.2 0.909 113.0 49.7 -71.5 -41.8 68.0 8.0 -150.2 280 343 A E H 3<5S+ 0 0 148 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.891 111.1 50.4 -62.9 -38.7 65.6 8.3 -153.2 281 344 A Q T 3<5S- 0 0 122 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.544 116.9-110.9 -80.3 -7.4 65.3 12.0 -152.8 282 345 A G T < 5S+ 0 0 55 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.334 86.5 117.5 95.8 -5.4 69.0 12.6 -152.7 283 346 A V S - 0 0 14 -3,-0.1 4,-2.3 1,-0.0 -42,-0.1 -0.955 65.5-104.1-154.6 168.9 73.8 6.3 -151.1 287 350 A T H > S+ 0 0 14 -44,-0.4 4,-2.3 -2,-0.3 -43,-0.2 0.594 112.2 60.2 -78.8 -12.3 72.6 3.1 -149.5 288 351 A V H > S+ 0 0 3 -45,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.954 113.3 36.9 -76.0 -54.5 75.9 2.1 -148.0 289 352 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.922 119.1 53.6 -55.1 -45.8 76.0 5.3 -145.9 290 353 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.916 104.1 53.5 -56.8 -48.9 72.2 4.9 -145.5 291 354 A Y H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.943 111.0 45.7 -53.1 -52.5 72.5 1.4 -144.2 292 355 A F H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 5,-0.2 0.851 107.0 58.0 -64.5 -36.2 75.0 2.4 -141.4 293 356 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.950 111.3 43.7 -53.8 -49.7 72.9 5.5 -140.5 294 357 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.850 113.5 50.2 -65.8 -36.3 70.0 3.1 -139.8 295 358 A R H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.882 111.1 48.7 -69.4 -40.2 72.2 0.6 -138.0 296 359 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.3 0.921 111.5 51.7 -60.2 -45.8 73.6 3.4 -135.8 297 360 A Y H X S+ 0 0 27 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.937 110.8 46.3 -57.1 -50.2 70.0 4.5 -135.2 298 361 A L H X S+ 0 0 45 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.891 113.1 50.1 -61.4 -41.4 69.0 1.0 -134.1 299 362 A Y H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.935 112.6 44.8 -62.6 -48.3 72.1 0.6 -131.9 300 363 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.5 0.899 115.9 47.0 -64.4 -40.3 71.7 3.9 -130.0 301 364 A T H ><5S+ 0 0 43 -4,-2.1 3,-0.6 -5,-0.3 -1,-0.2 0.855 110.7 52.5 -72.2 -34.1 68.0 3.3 -129.6 302 365 A K H 3<5S+ 0 0 88 -4,-2.1 111,-0.2 1,-0.2 -1,-0.2 0.777 107.6 52.3 -69.1 -28.4 68.5 -0.3 -128.4 303 366 A V T 3<5S- 0 0 0 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.474 132.4 -82.1 -94.7 -5.1 71.0 0.9 -125.8 304 367 A G T < 5S+ 0 0 10 -3,-0.6 -3,-0.2 -4,-0.5 2,-0.2 0.357 79.5 136.6 127.0 -4.5 68.7 3.5 -124.2 305 368 A I < - 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