==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-FEB-12 4DPQ . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE 2, CHLOROPLASTIC; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR M.D.W.GRIFFIN,J.M.BILLAKANTI,J.A.GERRARD,R.C.J.DOBSON,F.G.PE . 616 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 46 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 0 2 0 6 2 0 2 4 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 10 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 2 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 59 A N > 0 0 127 0, 0.0 4,-0.8 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.2 -4.1 7.8 -14.3 2 60 A T H >> + 0 0 20 1,-0.2 4,-2.6 2,-0.2 3,-0.9 0.886 360.0 62.6 -64.5 -38.2 -5.4 11.3 -15.4 3 61 A D H 3> S+ 0 0 104 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.887 99.7 54.1 -57.0 -39.6 -9.1 10.3 -15.4 4 62 A D H 34 S+ 0 0 85 -3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.763 109.9 47.2 -69.8 -24.7 -9.1 9.6 -11.7 5 63 A I H X< S+ 0 0 1 -3,-0.9 3,-1.5 -4,-0.8 -2,-0.2 0.884 108.7 54.5 -74.7 -43.8 -7.6 13.1 -11.1 6 64 A K H 3< S+ 0 0 78 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.790 103.0 59.5 -61.1 -27.8 -10.3 14.7 -13.4 7 65 A A T 3< S+ 0 0 61 -4,-1.7 -1,-0.2 -5,-0.2 2,-0.2 0.647 79.4 106.5 -72.7 -13.5 -13.0 13.0 -11.4 8 66 A L < + 0 0 11 -3,-1.5 3,-0.1 -4,-0.2 33,-0.0 -0.463 37.1 173.5 -77.0 132.5 -12.1 14.7 -8.0 9 67 A R + 0 0 72 1,-0.2 193,-2.5 -2,-0.2 2,-0.5 0.651 68.1 46.7-105.8 -26.8 -14.5 17.4 -6.7 10 68 A V E +a 202 0A 0 191,-0.2 32,-2.8 30,-0.1 33,-1.4 -0.925 62.6 168.2-124.1 108.4 -13.3 18.2 -3.3 11 69 A I E -ab 203 43A 0 191,-2.3 193,-2.7 -2,-0.5 2,-0.5 -0.981 21.6-149.0-122.3 122.0 -9.5 18.6 -2.9 12 70 A T E -ab 204 44A 0 31,-2.6 33,-2.6 -2,-0.5 2,-1.3 -0.764 10.4-146.2 -94.5 126.7 -8.2 20.1 0.4 13 71 A A E - b 0 45A 3 191,-2.5 33,-0.1 -2,-0.5 195,-0.1 -0.788 39.9-143.2 -83.0 94.4 -5.0 22.2 0.3 14 72 A I - 0 0 0 -2,-1.3 33,-0.4 31,-1.3 34,-0.3 -0.368 3.1-117.1 -78.9 144.2 -4.2 20.8 3.7 15 73 A K - 0 0 2 190,-0.1 36,-0.2 32,-0.1 -1,-0.1 -0.424 21.2-132.6 -69.8 145.5 -2.5 22.9 6.5 16 74 A T - 0 0 1 34,-0.5 2,-0.2 -2,-0.1 10,-0.1 -0.897 23.6-151.5-101.2 112.7 1.0 21.8 7.6 17 75 A P - 0 0 0 0, 0.0 8,-2.8 0, 0.0 2,-0.3 -0.536 9.9-145.4 -90.2 155.1 1.1 21.8 11.5 18 76 A Y B -I 24 0B 0 239,-0.3 239,-0.3 6,-0.3 6,-0.2 -0.848 10.6-125.1-120.6 151.2 4.3 22.3 13.5 19 77 A L > - 0 0 36 4,-3.7 3,-2.4 -2,-0.3 6,-0.1 -0.385 49.3 -92.8 -77.3 164.9 6.0 21.2 16.8 20 78 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.750 127.9 50.4 -55.7 -26.6 7.1 24.0 19.2 21 79 A D T 3 S- 0 0 84 2,-0.1 238,-0.0 238,-0.1 -2,-0.0 0.370 124.7-101.1 -91.5 5.8 10.6 24.2 17.7 22 80 A G S < S+ 0 0 0 -3,-2.4 285,-0.1 1,-0.3 3,-0.1 0.309 79.2 128.2 98.2 -12.6 9.2 24.5 14.1 23 81 A R S S- 0 0 143 1,-0.1 -4,-3.7 284,-0.1 -1,-0.3 -0.348 72.6 -77.7 -68.6 162.8 9.6 21.0 12.8 24 82 A F B -I 18 0B 18 -6,-0.2 2,-1.0 1,-0.1 -6,-0.3 -0.351 33.5-139.8 -61.4 137.5 6.6 19.2 11.2 25 83 A D > + 0 0 14 -8,-2.8 4,-2.6 1,-0.2 5,-0.2 -0.797 24.3 178.9 -93.5 86.7 4.0 17.7 13.7 26 84 A L H > S+ 0 0 53 -2,-1.0 4,-2.7 1,-0.2 5,-0.2 0.822 77.6 55.8 -61.9 -30.5 3.3 14.4 11.8 27 85 A E H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.955 111.7 41.8 -67.5 -48.0 0.9 13.3 14.6 28 86 A A H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.902 115.4 52.6 -62.5 -39.1 -1.2 16.5 14.2 29 87 A Y H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.919 107.6 49.9 -64.6 -47.7 -0.8 16.2 10.4 30 88 A D H X S+ 0 0 36 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.845 109.6 52.1 -62.2 -36.1 -2.0 12.6 10.2 31 89 A D H X S+ 0 0 99 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.928 109.0 50.2 -63.7 -48.3 -5.1 13.5 12.4 32 90 A L H X S+ 0 0 8 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.925 112.3 46.6 -52.6 -47.5 -5.9 16.4 9.9 33 91 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.934 111.9 51.5 -65.8 -40.9 -5.7 14.0 6.9 34 92 A N H X S+ 0 0 71 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.924 109.3 50.2 -60.1 -44.5 -7.8 11.4 8.7 35 93 A I H X S+ 0 0 41 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.877 110.5 49.9 -60.4 -39.3 -10.5 14.0 9.5 36 94 A Q H ><>S+ 0 0 4 -4,-2.1 5,-2.2 2,-0.2 3,-0.5 0.944 112.4 47.2 -64.6 -46.5 -10.5 15.1 5.8 37 95 A I H ><5S+ 0 0 31 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.931 110.0 52.6 -60.1 -41.2 -10.9 11.5 4.7 38 96 A Q H 3<5S+ 0 0 151 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.747 109.2 50.3 -70.6 -24.6 -13.7 10.8 7.3 39 97 A N T <<5S- 0 0 68 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.287 124.6 -99.3 -97.0 9.6 -15.6 13.8 6.0 40 98 A G T < 5 + 0 0 22 -3,-1.7 -3,-0.2 -4,-0.2 -30,-0.1 0.627 62.5 159.9 85.6 11.4 -15.4 12.8 2.3 41 99 A A < - 0 0 8 -5,-2.2 -1,-0.2 -6,-0.2 -30,-0.2 -0.413 23.8-161.4 -53.4 141.1 -12.5 14.9 1.0 42 100 A E + 0 0 50 -32,-2.8 35,-2.3 1,-0.2 2,-0.3 0.678 62.4 16.4-110.7 -19.6 -11.3 13.2 -2.2 43 101 A G E -bc 11 77A 0 -33,-1.4 -31,-2.6 33,-0.2 2,-0.4 -0.957 59.0-150.9-145.3 159.8 -7.8 14.7 -2.6 44 102 A V E -bc 12 78A 0 33,-2.0 35,-2.9 -2,-0.3 2,-0.6 -0.997 12.5-141.9-130.7 139.1 -5.2 16.6 -0.7 45 103 A I E > -bc 13 79A 1 -33,-2.6 -31,-1.3 -2,-0.4 2,-0.6 -0.904 24.2-146.8 -89.7 127.6 -2.6 19.1 -2.0 46 104 A V E 3 S- c 0 80A 0 33,-2.6 35,-2.5 -2,-0.6 19,-0.1 -0.843 76.2 -3.2-103.0 119.2 0.6 18.4 0.1 47 105 A G T 3 S+ 0 0 0 -2,-0.6 -1,-0.2 -33,-0.4 9,-0.1 0.865 90.8 153.5 68.4 36.2 2.6 21.5 0.7 48 106 A G < > - 0 0 2 -3,-0.5 5,-2.3 -34,-0.3 4,-0.3 -0.092 69.0 -77.4 -71.2-175.3 0.5 23.9 -1.3 49 107 A T T > 5S+ 0 0 3 1,-0.2 3,-1.1 2,-0.2 5,-0.1 0.915 139.7 47.0 -47.3 -47.0 0.3 27.6 -0.6 50 108 A T T 3 5S+ 0 0 2 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.806 111.0 52.1 -66.6 -33.5 -2.0 26.7 2.3 51 109 A G T 3 5S- 0 0 0 -36,-0.2 -1,-0.3 -6,-0.0 -2,-0.2 0.358 113.9-119.3 -86.8 5.8 0.4 24.0 3.4 52 110 A E T X 5 + 0 0 0 -3,-1.1 3,-2.0 -4,-0.3 4,-0.3 0.813 54.3 159.1 59.1 36.3 3.3 26.5 3.4 53 111 A G G > - 0 0 37 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.570 36.2-108.4 -79.2 159.1 13.2 22.8 2.5 58 116 A W H > S+ 0 0 56 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.872 116.7 60.0 -58.8 -33.8 12.8 20.2 -0.4 59 117 A D H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.953 109.1 42.0 -66.7 -41.6 13.8 17.3 1.8 60 118 A E H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 113.9 53.8 -70.7 -29.1 10.9 18.0 4.2 61 119 A H H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.942 112.2 42.4 -69.4 -47.0 8.5 18.6 1.2 62 120 A I H X S+ 0 0 20 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.924 113.0 54.1 -63.7 -45.5 9.3 15.3 -0.5 63 121 A M H X S+ 0 0 85 -4,-2.2 4,-2.8 -5,-0.4 -1,-0.2 0.905 107.5 50.4 -52.7 -48.9 9.2 13.5 2.8 64 122 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.903 111.5 48.3 -62.5 -36.4 5.7 14.9 3.5 65 123 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.958 114.2 44.9 -65.6 -50.2 4.5 13.8 0.1 66 124 A G H X S+ 0 0 18 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.901 113.6 52.0 -63.2 -40.8 6.0 10.2 0.5 67 125 A H H X S+ 0 0 38 -4,-2.8 4,-2.5 -5,-0.3 5,-0.3 0.909 110.1 47.6 -56.5 -45.5 4.5 10.1 4.0 68 126 A T H X>S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.6 0.923 113.9 47.1 -67.3 -41.2 1.1 11.0 2.8 69 127 A V H X5S+ 0 0 29 -4,-2.4 4,-2.0 3,-0.2 5,-0.3 0.951 113.8 48.4 -63.2 -48.6 1.2 8.4 0.0 70 128 A N H <5S+ 0 0 139 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.905 122.7 30.8 -63.7 -43.8 2.4 5.7 2.4 71 129 A C H <5S+ 0 0 59 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.801 139.8 12.2 -81.9 -30.9 -0.2 6.3 5.2 72 130 A F H >X5S+ 0 0 13 -4,-2.7 3,-2.5 -5,-0.3 4,-0.9 0.458 87.2 106.5-131.3 -4.5 -3.2 7.5 3.2 73 131 A G T 3< S- 0 0 0 1,-0.2 4,-2.6 485,-0.1 5,-0.2 -0.903 73.0-153.1-106.4 124.3 12.9 27.3 -11.0 87 145 A T H > S+ 0 0 0 483,-0.9 4,-3.2 -2,-0.5 5,-0.2 0.924 97.7 55.4 -60.5 -40.2 12.6 24.7 -13.8 88 146 A R H > S+ 0 0 25 482,-0.5 4,-2.1 2,-0.2 5,-0.2 0.901 110.5 43.4 -52.6 -50.0 15.4 22.8 -12.2 89 147 A E H > S+ 0 0 27 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.920 114.5 51.7 -68.4 -39.6 13.7 22.6 -8.8 90 148 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.895 110.1 48.1 -65.8 -43.6 10.4 21.7 -10.5 91 149 A I H X S+ 0 0 10 -4,-3.2 4,-2.5 -5,-0.2 5,-0.3 0.963 117.2 40.8 -57.0 -54.9 11.9 18.9 -12.5 92 150 A H H X S+ 0 0 62 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.916 116.4 47.8 -60.8 -47.5 13.7 17.3 -9.6 93 151 A A H X S+ 0 0 3 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.907 114.2 48.8 -63.1 -39.6 10.9 17.8 -7.0 94 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 -12,-0.3 5,-0.2 0.937 111.6 44.9 -72.3 -45.2 8.3 16.4 -9.5 95 153 A E H X S+ 0 0 63 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.879 115.8 49.8 -68.2 -31.7 10.1 13.2 -10.6 96 154 A Q H X S+ 0 0 89 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.908 109.8 50.6 -71.1 -36.3 11.0 12.6 -6.9 97 155 A G H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 4,-0.2 0.931 113.8 44.1 -67.2 -44.4 7.3 13.1 -5.9 98 156 A F H ><5S+ 0 0 38 -4,-2.3 3,-1.7 3,-0.2 -1,-0.2 0.905 109.9 56.5 -67.7 -41.9 6.1 10.6 -8.5 99 157 A A H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.860 105.6 50.9 -56.5 -39.1 8.9 8.2 -7.6 100 158 A V T 3<5S- 0 0 64 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.479 129.3-100.7 -80.1 0.4 7.6 8.2 -4.0 101 159 A G T < 5 + 0 0 32 -3,-1.7 -3,-0.2 -4,-0.2 -23,-0.2 0.581 61.2 161.1 103.4 10.7 4.1 7.4 -5.4 102 160 A M < - 0 0 8 -5,-2.3 -1,-0.2 1,-0.1 -23,-0.2 -0.270 37.3-137.3 -59.6 154.7 2.1 10.7 -5.5 103 161 A H S S- 0 0 54 -25,-2.2 2,-0.3 1,-0.2 -24,-0.2 0.719 74.6 -1.9 -87.3 -24.5 -0.9 10.5 -7.8 104 162 A A E -d 79 0A 0 -26,-1.2 -24,-2.1 27,-0.1 2,-0.4 -0.961 63.6-125.2-158.7 166.4 -0.6 14.0 -9.4 105 163 A A E -de 80 133A 0 27,-1.9 29,-3.0 -2,-0.3 2,-0.6 -0.934 12.8-143.0-120.9 136.3 1.5 17.2 -9.3 106 164 A L E -de 81 134A 1 -26,-2.5 -23,-0.9 -2,-0.4 -24,-0.6 -0.942 23.2-167.6 -94.5 122.0 0.3 20.8 -8.8 107 165 A H E - e 0 135A 0 27,-3.2 29,-2.5 -2,-0.6 2,-0.1 -0.899 7.5-168.3-118.7 111.5 2.3 23.2 -11.0 108 166 A I E - e 0 136A 2 -2,-0.5 -24,-0.4 27,-0.2 29,-0.2 -0.406 32.9-104.8 -77.4 158.8 2.2 26.9 -10.6 109 167 A N - 0 0 0 27,-1.1 2,-0.2 35,-0.1 -1,-0.1 -0.554 58.7 -70.3 -77.8 160.0 3.7 29.2 -13.3 110 168 A P - 0 0 0 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.272 57.3-153.5 -54.6 117.6 7.1 30.8 -12.3 111 169 A Y - 0 0 8 -2,-0.2 2,-3.2 3,-0.1 32,-0.1 -0.593 67.0 -0.7 -93.0 149.5 6.4 33.4 -9.6 112 170 A Y S S+ 0 0 6 30,-1.6 2,-1.6 337,-0.9 -1,-0.1 -0.329 128.7 60.1 69.3 -59.6 8.5 36.5 -9.0 113 171 A G S S- 0 0 0 -2,-3.2 -1,-0.2 249,-0.1 30,-0.1 -0.543 86.2-173.7 -93.9 72.0 11.0 35.6 -11.8 114 172 A K - 0 0 47 -2,-1.6 2,-0.2 28,-0.1 -3,-0.1 -0.270 3.9-160.2 -67.4 154.5 8.3 35.7 -14.4 115 173 A T - 0 0 1 -5,-0.3 457,-0.1 1,-0.1 435,-0.1 -0.625 24.8 -81.3-123.7-178.8 9.0 34.6 -17.9 116 174 A S > - 0 0 6 455,-0.2 4,-2.6 -2,-0.2 -1,-0.1 -0.340 46.4-104.0 -75.7 168.2 7.6 35.0 -21.5 117 175 A I H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.883 127.6 51.9 -60.9 -38.0 4.7 32.8 -22.7 118 176 A E H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 108.4 50.0 -66.6 -37.1 7.2 30.8 -24.7 119 177 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.899 108.4 55.9 -63.2 -37.6 9.3 30.4 -21.4 120 178 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.925 106.9 46.9 -59.0 -49.0 6.1 29.3 -19.7 121 179 A I H X S+ 0 0 24 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.938 112.8 50.4 -59.1 -47.4 5.5 26.5 -22.3 122 180 A A H X S+ 0 0 20 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.913 110.6 49.3 -59.1 -44.8 9.1 25.4 -22.0 123 181 A H H >< S+ 0 0 1 -4,-2.6 3,-0.7 448,-0.2 4,-0.4 0.958 114.6 43.2 -59.3 -52.7 8.8 25.3 -18.2 124 182 A F H >X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 3,-1.5 0.874 108.6 58.5 -63.8 -37.8 5.6 23.2 -18.1 125 183 A Q H 3X S+ 0 0 92 -4,-2.7 4,-0.5 1,-0.3 -1,-0.2 0.740 96.3 65.4 -64.0 -19.6 6.8 20.9 -20.9 126 184 A S H << S+ 0 0 22 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.705 118.9 19.8 -73.2 -20.4 9.7 20.0 -18.7 127 185 A V H X4 S+ 0 0 1 -3,-1.5 3,-2.5 -4,-0.4 4,-0.3 0.634 100.6 84.5-121.3 -21.8 7.4 18.4 -16.1 128 186 A L H >< S+ 0 0 2 -4,-2.7 3,-0.9 1,-0.3 -3,-0.1 0.819 86.1 60.9 -61.0 -30.2 4.2 17.6 -17.9 129 187 A H T 3< S+ 0 0 116 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.626 89.5 75.2 -69.3 -8.3 5.5 14.2 -19.2 130 188 A M T < S- 0 0 38 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.790 109.8 -60.1 -81.2 -22.3 6.1 13.0 -15.7 131 189 A G S < S- 0 0 8 -3,-0.9 -1,-0.2 -4,-0.3 -26,-0.1 -0.917 84.3 -22.1 166.6 179.5 2.4 12.2 -14.6 132 190 A P - 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0 0 23 -4,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.314 64.1 -26.7 102.4 172.4 -26.7 21.0 -6.1 222 280 A R + 0 0 161 -2,-0.1 2,-0.1 -27,-0.1 3,-0.0 -0.362 57.9 165.2 -54.0 139.4 -27.1 24.8 -5.8 223 281 A N > + 0 0 51 -6,-0.1 4,-2.9 2,-0.0 3,-0.4 -0.524 7.0 173.5-159.0 79.4 -27.7 25.8 -2.2 224 282 A S H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.768 78.0 60.5 -75.2 -13.6 -27.1 29.5 -2.0 225 283 A S H > S+ 0 0 89 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 107.8 44.1 -76.7 -31.6 -28.3 29.6 1.6 226 284 A L H > S+ 0 0 13 -3,-0.4 4,-1.9 2,-0.2 5,-0.2 0.952 113.0 54.1 -70.4 -44.0 -25.5 27.2 2.6 227 285 A N H X S+ 0 0 16 -4,-2.9 4,-1.7 1,-0.2 3,-0.4 0.942 110.0 45.2 -53.8 -46.1 -23.2 29.2 0.5 228 286 A S H < S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.839 106.5 58.4 -79.6 -21.3 -24.1 32.4 2.2 229 287 A K H < S+ 0 0 83 -4,-1.9 4,-0.4 1,-0.2 -1,-0.3 0.870 111.7 44.1 -61.7 -36.4 -23.9 30.8 5.7 230 288 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.4 3,-0.5 0.752 93.2 83.1 -81.7 -22.6 -20.2 30.0 4.8 231 289 A L H X S+ 0 0 61 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.848 86.4 52.6 -55.3 -39.8 -19.3 33.4 3.3 232 290 A P H > S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.914 110.8 49.6 -63.9 -36.4 -18.5 35.1 6.6 233 291 A L H > S+ 0 0 0 -3,-0.5 4,-2.9 -4,-0.4 -2,-0.2 0.939 111.9 47.5 -61.6 -49.1 -16.1 32.3 7.4 234 292 A M H X S+ 0 0 2 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.881 110.5 51.4 -61.9 -37.2 -14.4 32.5 4.0 235 293 A A H >< S+ 0 0 66 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.2 0.937 111.0 48.9 -67.5 -42.1 -14.1 36.3 4.3 236 294 A W H >< S+ 0 0 5 -4,-2.2 3,-1.7 1,-0.3 4,-0.4 0.917 106.1 57.6 -59.2 -46.9 -12.5 35.8 7.8 237 295 A L H 3< S+ 0 0 0 -4,-2.9 8,-0.6 1,-0.3 9,-0.4 0.664 114.0 38.2 -55.0 -21.9 -10.1 33.3 6.4 238 296 A F T << S+ 0 0 93 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.154 78.1 108.2-121.4 17.1 -8.8 35.8 3.8 239 297 A H S < S+ 0 0 101 -3,-1.7 -2,-0.1 2,-0.1 -1,-0.1 0.948 97.5 19.9 -59.5 -47.3 -8.8 38.9 6.0 240 298 A E S S- 0 0 61 -4,-0.4 5,-0.3 1,-0.1 184,-0.1 -0.735 120.2 -68.0-107.8 170.4 -5.0 38.6 5.9 241 299 A P S > S- 0 0 26 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.283 74.7 -73.4 -60.6 134.6 -3.2 36.5 3.2 242 300 A N T 3 S+ 0 0 8 1,-0.3 -4,-0.1 2,-0.2 180,-0.1 -0.400 115.3 32.7 -51.1 137.4 -3.8 32.7 3.3 243 301 A P T 3> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 -1,-0.3 -0.834 100.4 80.8 -98.4 22.7 -2.7 30.7 5.3 244 302 A I H <> S+ 0 0 0 -3,-2.3 4,-1.9 1,-0.2 23,-0.4 0.926 99.5 43.7 -55.6 -40.2 -2.6 33.3 8.2 245 303 A G H > S+ 0 0 0 -8,-0.6 4,-3.2 -5,-0.3 5,-0.2 0.969 115.5 45.3 -70.0 -56.2 -6.3 32.7 8.9 246 304 A I H > S+ 0 0 0 -9,-0.4 4,-2.4 1,-0.2 5,-0.2 0.892 112.2 52.6 -58.6 -36.6 -6.3 28.9 8.6 247 305 A N H X S+ 0 0 3 -4,-3.0 4,-1.2 2,-0.2 -1,-0.2 0.926 113.5 43.7 -64.2 -41.2 -3.2 28.7 10.8 248 306 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 3,-0.4 0.968 115.2 49.5 -67.0 -50.0 -4.9 30.8 13.5 249 307 A A H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.852 108.5 50.4 -55.0 -47.6 -8.3 28.9 13.2 250 308 A L H <>S+ 0 0 0 -4,-2.4 5,-1.6 -5,-0.2 6,-1.2 0.853 110.4 50.7 -68.9 -28.3 -6.8 25.4 13.4 251 309 A A H ><5S+ 0 0 7 -4,-1.2 3,-1.4 -3,-0.4 -2,-0.2 0.922 109.9 51.1 -70.4 -43.7 -4.9 26.5 16.6 252 310 A Q H 3<5S+ 0 0 0 -4,-2.3 42,-2.0 1,-0.3 -2,-0.2 0.820 108.9 50.7 -59.4 -32.7 -8.2 27.9 18.1 253 311 A L T 3<5S- 0 0 1 -4,-1.9 38,-0.4 40,-0.2 -1,-0.3 0.439 112.9-123.2 -85.4 -1.3 -10.0 24.6 17.3 254 312 A G T < 5S+ 0 0 37 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.578 83.9 109.9 70.3 13.3 -7.1 22.7 19.1 255 313 A V S -j 304 0C 0 -2,-0.4 3,-1.6 42,-0.2 44,-0.2 -0.797 51.0 -86.1 -77.9 126.4 6.9 29.7 10.7 262 320 A L T 3 S+ 0 0 13 42,-2.8 133,-0.7 -2,-0.5 134,-0.5 -0.358 110.8 48.6 -59.8 147.1 7.8 33.3 9.8 263 321 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 161,-0.2 -0.948 104.6 76.5 -89.2 9.7 6.9 35.3 7.7 264 322 A Y < - 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