==== 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 OXIDOREDUCTASE 23-OCT-01 1K87 . COMPND 2 MOLECULE: PROLINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.-H.LEE,J.J.TANNER,S.NADARIA,D.F.BECKER . 514 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 0 0.0 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 . 24 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 4 1 0 0 1 0 2 3 4 2 1 0 2 0 0 1 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 87 A P 0 0 188 0, 0.0 2,-0.2 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 131.9 -17.0 122.5 57.4 2 88 A Q - 0 0 86 1,-0.2 5,-0.1 2,-0.1 0, 0.0 -0.602 360.0 -85.6 -98.3 158.8 -15.2 119.3 58.3 3 89 A S > - 0 0 64 -2,-0.2 4,-2.8 3,-0.1 5,-0.2 -0.001 44.3-103.0 -52.6 161.0 -12.6 118.6 60.9 4 90 A V H > S+ 0 0 128 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.932 122.9 44.6 -52.9 -53.7 -8.9 119.2 60.2 5 91 A S H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.871 115.1 49.2 -60.8 -39.0 -8.1 115.5 59.6 6 92 A R H > S+ 0 0 149 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.862 111.7 49.2 -68.8 -35.8 -11.2 115.1 57.5 7 93 A A H X S+ 0 0 39 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.889 106.7 54.9 -69.4 -42.4 -10.3 118.2 55.4 8 94 A A H X S+ 0 0 60 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.868 106.0 53.3 -59.8 -38.3 -6.8 117.0 54.8 9 95 A I H >< S+ 0 0 113 -4,-1.5 3,-1.0 1,-0.2 4,-0.5 0.945 109.1 48.1 -61.2 -49.8 -8.1 113.8 53.4 10 96 A T H >< S+ 0 0 82 -4,-1.6 3,-1.0 1,-0.3 4,-0.3 0.859 106.5 57.8 -58.8 -38.6 -10.3 115.7 51.0 11 97 A A H 3< S+ 0 0 81 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.714 108.3 46.9 -66.7 -21.3 -7.4 117.9 49.9 12 98 A A T X< S+ 0 0 33 -3,-1.0 3,-1.2 -4,-0.8 -1,-0.2 0.432 75.8 112.8-101.4 -0.7 -5.4 114.8 48.9 13 99 A Y T < S+ 0 0 167 -3,-1.0 -1,-0.1 -4,-0.5 -2,-0.1 0.852 100.5 3.6 -36.6 -59.0 -8.1 113.0 46.9 14 100 A R T 3 S+ 0 0 186 -4,-0.3 -1,-0.3 -3,-0.2 3,-0.1 -0.027 87.5 162.9-124.1 32.0 -6.4 113.4 43.5 15 101 A R < - 0 0 98 -3,-1.2 5,-0.1 1,-0.1 -3,-0.1 -0.138 52.0 -85.0 -52.5 143.2 -3.1 115.1 44.5 16 102 A P > - 0 0 70 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.154 33.0-128.1 -51.3 142.4 -0.3 114.9 41.7 17 103 A E H > S+ 0 0 159 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.875 107.6 54.1 -63.0 -41.7 1.7 111.7 41.8 18 104 A T H > S+ 0 0 111 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 112.9 47.1 -59.3 -38.7 5.1 113.4 41.8 19 105 A E H > S+ 0 0 100 2,-0.2 4,-1.6 1,-0.1 -2,-0.2 0.942 115.0 42.7 -66.5 -53.0 3.9 115.3 44.9 20 106 A A H X S+ 0 0 23 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.928 115.5 48.2 -62.4 -47.9 2.4 112.3 46.8 21 107 A V H X S+ 0 0 73 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.869 108.4 54.8 -62.2 -38.9 5.4 110.0 46.0 22 108 A S H X S+ 0 0 84 -4,-1.6 4,-0.7 -5,-0.3 -1,-0.2 0.902 111.2 44.9 -62.4 -41.3 8.0 112.5 47.0 23 109 A M H X S+ 0 0 80 -4,-1.6 4,-0.8 1,-0.2 3,-0.2 0.885 114.8 47.8 -70.0 -40.5 6.3 113.0 50.4 24 110 A L H X S+ 0 0 103 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.873 96.4 74.4 -68.5 -38.9 5.9 109.2 51.0 25 111 A L H X S+ 0 0 88 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.841 95.6 46.1 -43.1 -52.2 9.4 108.3 50.0 26 112 A E H >< S+ 0 0 116 -4,-0.7 3,-0.8 -3,-0.2 -1,-0.2 0.945 114.4 46.5 -61.4 -50.1 11.1 109.6 53.2 27 113 A Q H 3< S+ 0 0 154 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.776 114.2 50.5 -63.4 -26.9 8.7 108.0 55.6 28 114 A A H 3< S+ 0 0 65 -4,-2.1 -1,-0.2 2,-0.1 2,-0.2 0.633 82.1 112.8 -87.2 -14.6 8.9 104.7 53.6 29 115 A R << - 0 0 135 -4,-1.1 -3,-0.0 -3,-0.8 6,-0.0 -0.412 63.7-137.2 -65.2 125.8 12.7 104.5 53.6 30 116 A L - 0 0 87 -2,-0.2 5,-0.1 1,-0.1 -1,-0.1 -0.694 25.9-109.0 -84.4 126.9 14.0 101.6 55.6 31 117 A P >> - 0 0 81 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.315 37.5-104.8 -56.5 133.7 17.0 102.5 57.8 32 118 A Q H 3> S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.752 116.6 46.5 -24.9 -64.6 20.1 100.8 56.4 33 119 A P H 3> S+ 0 0 87 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.914 117.9 41.5 -52.8 -49.2 20.4 98.0 59.0 34 120 A V H <> S+ 0 0 66 -3,-0.9 4,-1.6 1,-0.2 -2,-0.2 0.765 109.4 62.7 -70.7 -24.5 16.7 97.0 58.9 35 121 A A H X S+ 0 0 29 -4,-2.3 4,-1.2 -3,-0.2 -1,-0.2 0.891 106.1 42.9 -67.4 -40.7 16.9 97.4 55.1 36 122 A E H X S+ 0 0 85 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.847 113.3 51.7 -74.4 -34.9 19.4 94.6 54.7 37 123 A Q H X S+ 0 0 116 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.815 108.5 52.3 -70.8 -28.9 17.7 92.4 57.2 38 124 A A H X S+ 0 0 42 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.837 109.9 49.1 -73.8 -33.5 14.4 92.9 55.3 39 125 A H H X S+ 0 0 121 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.905 111.0 48.7 -71.3 -43.2 16.1 91.9 52.1 40 126 A K H X S+ 0 0 85 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.924 116.5 42.7 -62.8 -45.6 17.7 88.7 53.6 41 127 A L H X S+ 0 0 97 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.939 115.1 49.3 -66.3 -47.3 14.4 87.7 55.0 42 128 A A H X S+ 0 0 54 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.912 113.0 48.8 -57.4 -43.9 12.5 88.6 51.9 43 129 A Y H X S+ 0 0 140 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.918 112.0 46.9 -63.5 -46.4 15.0 86.6 49.8 44 130 A Q H X S+ 0 0 109 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.899 113.8 49.7 -63.2 -40.2 14.8 83.5 52.0 45 131 A L H X S+ 0 0 109 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.940 114.8 41.7 -63.7 -49.4 11.0 83.7 52.0 46 132 A A H X S+ 0 0 58 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.806 113.0 56.2 -68.5 -30.3 10.8 84.0 48.2 47 133 A D H X S+ 0 0 70 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.945 109.6 43.8 -66.0 -49.3 13.5 81.4 47.8 48 134 A K H < S+ 0 0 164 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.759 115.4 50.3 -67.6 -26.6 11.7 78.8 49.8 49 135 A L H >< S+ 0 0 123 -4,-1.4 3,-1.1 -5,-0.2 4,-0.2 0.958 115.0 40.7 -75.1 -54.3 8.4 79.6 48.1 50 136 A R H 3<>S+ 0 0 188 -4,-2.5 5,-0.6 1,-0.2 3,-0.2 0.869 122.6 39.8 -62.2 -40.8 9.7 79.4 44.6 51 137 A N T ><5S+ 0 0 39 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.2 -0.067 73.4 124.4-106.0 35.7 11.9 76.3 45.1 52 138 A Q T < 5S+ 0 0 134 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.977 94.7 19.6 -55.4 -62.2 9.6 74.3 47.4 53 139 A K T 3 5S- 0 0 184 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.045 129.4 -92.1 -96.8 25.9 9.6 71.2 45.1 54 140 A N T <>5 + 0 0 63 -3,-0.9 4,-1.8 -6,-0.1 5,-0.2 0.943 63.4 167.0 64.2 55.4 12.8 72.6 43.5 55 141 A A H >> S+ 0 0 49 2,-0.2 4,-3.1 1,-0.2 3,-0.6 0.991 114.4 49.7 -72.1 -64.5 14.5 76.3 40.0 57 143 A G H 3> S+ 0 0 36 1,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.819 115.8 46.7 -43.5 -37.7 17.0 73.5 40.5 58 144 A R H 3X S+ 0 0 59 -4,-1.8 4,-2.4 2,-0.2 -1,-0.3 0.870 112.0 49.5 -74.0 -39.1 14.9 71.4 38.3 59 145 A A H S+ 0 0 42 -4,-1.2 4,-2.4 -3,-0.4 5,-0.5 0.897 113.3 44.8 -57.8 -43.7 19.2 71.6 26.1 67 153 A Q H ><5S+ 0 0 155 -4,-1.6 3,-0.5 -3,-0.3 -2,-0.2 0.992 109.3 40.1 -67.1 -89.9 22.5 73.5 25.8 68 154 A E T 3<5S+ 0 0 138 -4,-0.8 -1,-0.2 1,-0.3 -3,-0.1 0.440 132.3 36.9 -48.5 7.6 25.7 71.5 25.7 69 155 A F T 345S- 0 0 28 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.643 108.6-120.4-127.5 -39.6 23.5 69.3 23.5 70 156 A S T <<5 + 0 0 67 -4,-2.4 2,-0.2 -3,-0.5 -3,-0.2 0.752 44.0 160.7 89.3 105.9 21.3 71.6 21.4 71 157 A L < - 0 0 34 -5,-0.5 2,-0.3 4,-0.0 -5,-0.0 -0.814 33.8-135.4-143.0-177.9 17.5 71.2 21.8 72 158 A S >> - 0 0 42 -2,-0.2 2,-5.2 63,-0.1 4,-2.7 -0.975 46.9 -95.6-142.2 143.2 14.1 72.7 21.3 73 159 A S T 34 S+ 0 0 78 -2,-0.3 52,-0.1 1,-0.3 51,-0.1 -0.091 127.9 36.5 -58.8 51.0 11.2 72.6 23.9 74 160 A Q T 3> S+ 0 0 59 -2,-5.2 4,-2.3 61,-0.1 -1,-0.3 0.132 109.6 57.2-165.8 -42.3 9.9 69.5 22.1 75 161 A E H <> S+ 0 0 41 -3,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.900 110.9 50.8 -65.9 -40.7 13.1 67.8 21.1 76 162 A G H >X S+ 0 0 4 -4,-2.7 4,-2.0 2,-0.2 3,-0.8 0.988 110.5 43.2 -59.5 -64.9 13.9 67.8 24.8 77 163 A V H 3> S+ 0 0 8 1,-0.3 4,-3.6 -5,-0.3 5,-0.3 0.887 108.5 63.0 -48.9 -41.9 10.6 66.4 26.0 78 164 A A H 3X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.3 0.929 104.5 46.2 -48.6 -50.5 10.9 63.9 23.2 79 165 A L H XX S+ 0 0 15 -4,-1.9 4,-3.3 -3,-0.8 3,-0.5 0.958 113.3 48.9 -57.8 -53.4 14.1 62.6 24.8 80 166 A M H 3X S+ 0 0 4 -4,-2.0 4,-3.0 1,-0.3 5,-0.3 0.930 106.4 54.9 -52.4 -53.2 12.5 62.5 28.2 81 167 A C H 3X S+ 0 0 1 -4,-3.6 4,-1.3 1,-0.2 -1,-0.3 0.858 115.1 42.8 -49.0 -37.2 9.4 60.6 26.9 82 168 A L H < S+ 0 0 4 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.846 104.4 53.3 -73.3 -36.1 13.6 53.0 29.0 87 173 A L H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.645 96.9 68.8 -73.0 -15.5 13.4 53.3 32.8 88 174 A R T 3< S+ 0 0 80 -4,-0.7 -1,-0.3 -3,-0.1 -2,-0.2 0.369 72.1 106.5 -84.0 4.3 10.1 51.3 32.6 89 175 A I S < S- 0 0 32 -3,-1.3 6,-0.2 1,-0.2 373,-0.0 -0.777 70.7-143.0 -87.1 106.3 12.2 48.2 31.5 90 176 A P S S+ 0 0 46 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.792 79.8 49.7 -34.3 -52.2 12.1 46.0 34.7 91 177 A D > - 0 0 46 1,-0.1 4,-2.2 252,-0.1 5,-0.1 -0.830 69.2-145.7-107.0 136.2 15.7 44.7 34.3 92 178 A K H > S+ 0 0 98 -2,-0.4 4,-2.8 2,-0.2 5,-0.2 0.867 97.8 58.1 -59.8 -44.9 18.9 46.8 33.8 93 179 A A H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.965 111.0 44.3 -50.7 -55.9 20.7 44.3 31.6 94 180 A T H > S+ 0 0 80 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.934 110.7 53.1 -53.3 -55.0 17.8 44.4 29.1 95 181 A R H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.908 112.6 46.2 -48.8 -48.7 17.4 48.2 29.2 96 182 A D H X S+ 0 0 63 -4,-2.8 4,-3.1 2,-0.2 5,-0.4 0.972 110.8 48.5 -60.0 -60.9 21.1 48.5 28.4 97 183 A A H X S+ 0 0 42 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.877 112.6 52.1 -49.1 -41.1 21.3 46.0 25.5 98 184 A L H X S+ 0 0 70 -4,-2.7 4,-2.3 -5,-0.3 5,-0.4 0.982 113.4 41.7 -59.8 -58.3 18.3 47.7 24.0 99 185 A I H <>S+ 0 0 14 -4,-2.5 5,-1.3 1,-0.2 6,-0.5 0.968 125.6 36.1 -49.1 -62.9 19.8 51.2 24.2 100 186 A R H <5S+ 0 0 162 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.692 126.2 37.5 -67.0 -26.2 23.2 49.9 23.0 101 187 A D H <5S+ 0 0 81 -4,-3.1 5,-0.3 -5,-0.4 -1,-0.2 0.491 132.6 4.3-106.6 -6.4 21.9 47.2 20.5 102 188 A K T <>S+ 0 0 136 -4,-2.3 5,-0.9 -3,-0.3 -3,-0.2 0.270 117.4 47.7-136.4 -94.3 18.8 48.9 19.0 103 189 A I T 5S+ 0 0 36 -5,-0.4 -4,-0.1 4,-0.3 -3,-0.1 0.765 135.2 8.2 -20.6 -80.9 17.6 52.4 19.7 104 190 A S T - 0 0 61 0, 0.0 3,-0.6 0, 0.0 4,-0.0 -0.444 57.8-145.0 -60.7 101.5 4.2 52.8 21.0 112 203 A S T 3 + 0 0 83 -2,-1.1 3,-0.2 1,-0.3 5,-0.1 0.628 55.8 140.5 -44.0 -10.5 2.2 55.3 23.0 113 204 A L T > + 0 0 39 1,-0.3 2,-1.9 2,-0.1 3,-0.6 0.481 64.8 49.9 3.0 -76.1 5.8 56.4 23.8 114 205 A F T < S+ 0 0 13 -3,-0.6 -1,-0.3 1,-0.2 3,-0.3 -0.034 80.1 122.4 -71.4 38.7 5.1 60.0 23.8 115 206 A V T 3 + 0 0 85 -2,-1.9 2,-5.5 1,-0.3 3,-0.4 0.981 68.5 53.1 -63.3 -64.8 2.2 59.3 26.1 116 207 A N S <> S+ 0 0 59 -3,-0.6 4,-0.7 1,-0.3 -1,-0.3 -0.340 88.7 167.3 -72.9 58.2 3.2 61.5 28.9 117 208 A A T 4 - 0 0 50 -2,-5.5 -1,-0.3 -3,-0.3 -2,-0.1 0.823 65.9 -1.6 -44.3 -52.5 3.2 63.6 25.9 118 209 A A T > S+ 0 0 63 -3,-0.4 4,-1.4 2,-0.1 -1,-0.2 0.381 96.2 100.7-132.2 2.5 3.4 67.0 27.6 119 210 A T H >> S+ 0 0 94 1,-0.3 4,-0.6 2,-0.2 3,-0.5 0.937 98.3 47.8 -52.8 -38.0 3.5 66.5 31.3 120 211 A W H >X S+ 0 0 17 -4,-0.7 4,-1.7 1,-0.2 3,-0.9 0.783 95.2 76.4 -67.6 -29.9 7.2 67.0 30.5 121 212 A G H 34 S+ 0 0 11 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.923 89.8 54.1 -46.7 -50.9 6.0 70.0 28.5 122 213 A L H << S+ 0 0 128 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.859 107.0 55.0 -52.6 -35.4 5.5 72.0 31.7 123 214 A L H << S+ 0 0 39 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.886 116.7 30.8 -68.4 -45.9 9.2 71.1 32.6 124 215 A F S < S- 0 0 15 -4,-1.7 2,-0.2 -3,-0.3 -3,-0.1 0.769 139.7 -65.4 -74.3-105.4 10.9 72.4 29.4 125 216 A T 0 0 131 -52,-0.1 -3,-0.3 1,-0.1 -2,-0.2 -0.645 360.0 360.0-153.5 109.3 8.4 75.1 29.0 126 217 A G 0 0 81 -2,-0.2 -4,-0.4 -4,-0.2 -3,-0.1 -0.133 360.0 360.0-151.0 360.0 4.7 74.2 28.2 127 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 128 224 A N >> 0 0 92 0, 0.0 4,-7.7 0, 0.0 5,-0.5 0.000 360.0 360.0 360.0-150.1 3.7 65.1 18.1 129 225 A E H >5 + 0 0 106 3,-0.2 4,-1.4 2,-0.2 5,-0.4 0.914 360.0 43.4 -33.9 -43.2 4.2 61.4 17.8 130 226 A A H >5S+ 0 0 58 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.972 128.8 23.7 -61.6 -84.3 4.5 62.8 14.3 131 227 A S H >5S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.763 127.3 54.3 -52.6 -31.2 6.6 65.9 15.0 132 228 A L H >X5S+ 0 0 8 -4,-7.7 4,-1.2 2,-0.2 3,-1.1 0.997 103.1 48.3 -70.8 -66.7 8.0 64.3 18.2 133 229 A S H >X< S+ 0 0 139 -4,-0.6 3,-1.8 2,-0.2 4,-0.4 0.956 103.9 46.0 -80.7 -57.8 18.0 63.1 14.8 139 235 A I H <<>S+ 0 0 15 -3,-1.0 5,-0.7 -4,-0.8 4,-0.4 0.881 99.4 71.4 -52.4 -42.5 19.7 63.9 18.1 140 236 A I T 3<5S+ 0 0 22 -4,-1.5 -1,-0.3 3,-0.1 7,-0.2 0.821 94.1 63.2 -42.7 -36.9 20.5 60.2 18.5 141 237 A G T < 5S+ 0 0 51 -3,-1.8 4,-0.2 -4,-0.4 -2,-0.2 0.938 101.8 33.9 -53.0 -98.2 22.9 60.7 15.7 142 238 A K T 5S+ 0 0 197 -4,-0.4 -2,-0.1 1,-0.2 -3,-0.1 0.785 138.2 11.3 -23.8 -87.0 25.7 63.1 16.6 143 239 A S T 5S+ 0 0 46 -4,-0.4 2,-1.5 1,-0.2 -1,-0.2 0.985 85.0 152.7 -65.6 -62.6 26.2 62.4 20.4 144 240 A G >< + 0 0 5 -5,-0.7 4,-1.8 1,-0.3 5,-0.2 -0.448 67.0 40.0 75.0 -84.0 24.1 59.2 20.7 145 241 A E H >> S+ 0 0 87 -2,-1.5 4,-1.8 2,-0.2 3,-0.6 0.984 123.1 44.4 -64.1 -56.2 25.5 57.1 23.5 146 242 A P H 3> S+ 0 0 67 0, 0.0 4,-1.0 0, 0.0 5,-0.2 0.809 111.4 55.2 -56.8 -31.1 26.0 60.3 25.5 147 243 A L H 3> S+ 0 0 3 -7,-0.2 4,-1.0 3,-0.2 -2,-0.2 0.854 116.5 35.1 -71.8 -35.8 22.5 61.6 24.5 148 244 A I H XX S+ 0 0 2 -4,-1.8 4,-2.5 -3,-0.6 3,-0.6 0.968 115.7 49.6 -80.0 -70.7 20.8 58.4 25.7 149 245 A R H 3X S+ 0 0 180 -4,-1.8 4,-1.2 1,-0.3 -2,-0.1 0.761 119.5 42.2 -39.0 -34.6 22.8 57.5 28.9 150 246 A K H 3X S+ 0 0 102 -4,-1.0 4,-1.9 -5,-0.4 -1,-0.3 0.847 110.8 53.2 -85.0 -37.0 22.4 61.1 30.0 151 247 A G H X S+ 0 0 0 -4,-2.6 3,-1.3 -5,-0.3 4,-0.6 0.577 81.7 86.7 -85.9 -9.6 12.8 60.1 41.5 161 257 A E G >< S+ 0 0 60 -4,-0.5 3,-2.2 1,-0.3 -1,-0.2 0.958 83.9 55.8 -52.5 -57.3 12.9 63.4 43.4 162 258 A Q G 34 S+ 0 0 109 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.586 106.1 53.0 -52.8 -15.5 9.4 62.9 44.9 163 259 A F G <4 S+ 0 0 6 -3,-1.3 2,-0.4 -4,-0.1 -1,-0.3 0.555 92.7 82.2-100.9 -8.9 10.4 59.5 46.4 164 260 A V << - 0 0 30 -3,-2.2 283,-0.2 -4,-0.6 3,-0.1 -0.812 55.0-165.3-100.8 136.1 13.6 60.6 48.2 165 261 A T S S- 0 0 18 281,-2.6 2,-0.3 -2,-0.4 282,-0.2 0.767 71.1 -17.6 -88.5 -27.1 13.3 62.2 51.6 166 262 A G B -a 447 0A 3 280,-1.0 282,-2.0 1,-0.1 -1,-0.3 -0.955 47.1-125.1-173.9 154.7 16.9 63.6 51.7 167 263 A E S S+ 0 0 108 -2,-0.3 2,-0.3 280,-0.2 282,-0.1 0.843 102.9 25.8 -73.0 -35.5 20.3 63.4 50.2 168 264 A T S > S- 0 0 78 280,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.869 85.6-114.0-125.9 159.3 21.9 62.8 53.6 169 265 A I H > S+ 0 0 9 -2,-0.3 4,-3.5 1,-0.2 5,-0.2 0.874 116.8 53.0 -62.4 -39.0 20.5 61.3 56.8 170 266 A A H > S+ 0 0 66 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.872 110.0 50.0 -63.5 -35.9 20.7 64.6 58.7 171 267 A E H 4 S+ 0 0 81 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.896 114.2 44.0 -67.8 -42.0 18.8 66.2 55.9 172 268 A A H >X S+ 0 0 2 -4,-2.1 3,-1.5 1,-0.2 4,-0.5 0.925 110.0 54.0 -68.9 -46.9 16.1 63.5 56.0 173 269 A L H >X S+ 0 0 32 -4,-3.5 4,-0.7 1,-0.3 3,-0.6 0.803 105.1 57.8 -57.5 -28.5 15.9 63.5 59.8 174 270 A A H 3< S+ 0 0 71 -4,-1.2 4,-0.3 -5,-0.2 -1,-0.3 0.687 104.0 50.0 -76.6 -20.1 15.3 67.3 59.5 175 271 A N H <> S+ 0 0 94 -3,-1.5 4,-0.5 -4,-0.5 -1,-0.2 0.438 94.4 76.9 -96.1 -1.5 12.3 66.7 57.3 176 272 A A H XX S+ 0 0 0 -3,-0.6 4,-2.8 -4,-0.5 3,-0.7 0.918 77.6 71.8 -72.9 -45.0 10.8 64.2 59.8 177 273 A R H 3X S+ 0 0 170 -4,-0.7 4,-2.1 1,-0.2 5,-0.2 0.832 87.8 60.8 -37.4 -57.9 9.6 66.8 62.3 178 274 A K H 34 S+ 0 0 146 -4,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.893 120.0 24.9 -40.5 -58.1 6.7 68.1 60.2 179 275 A L H X<>S+ 0 0 17 -3,-0.7 5,-2.3 -4,-0.5 3,-1.0 0.765 113.6 65.5 -83.3 -27.2 4.9 64.8 60.1 180 276 A E H ><5S+ 0 0 41 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.790 98.9 57.7 -65.1 -24.0 6.3 63.3 63.2 181 277 A E T 3<5S+ 0 0 137 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.733 102.8 53.0 -76.2 -22.8 4.4 66.0 65.0 182 278 A K T < 5S- 0 0 91 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.484 132.5 -87.8 -90.2 -4.4 1.2 64.8 63.5 183 279 A G T < 5S+ 0 0 35 -3,-0.6 258,-0.5 -4,-0.5 -3,-0.2 0.428 84.0 134.8 112.6 2.4 1.7 61.2 64.7 184 280 A F < - 0 0 4 -5,-2.3 -1,-0.3 256,-0.1 2,-0.2 -0.488 36.0-157.5 -83.3 154.2 3.7 59.8 61.8 185 281 A R E -b 442 0A 9 256,-2.5 258,-3.2 -2,-0.2 2,-0.3 -0.736 8.9-133.3-122.0 173.4 6.8 57.7 62.3 186 282 A Y E -b 443 0A 14 256,-0.3 43,-2.1 -2,-0.2 2,-0.4 -0.946 16.7-168.0-135.9 154.8 9.8 57.0 60.0 187 283 A S E -bc 444 229A 5 256,-2.5 258,-3.1 -2,-0.3 2,-0.4 -0.946 27.1-144.6-135.9 109.3 11.9 54.1 58.7 188 284 A Y E -bc 445 230A 1 41,-2.3 43,-3.2 -2,-0.4 2,-0.6 -0.648 10.1-163.1 -85.2 132.7 15.0 55.4 56.9 189 285 A D E -bc 446 231A 2 256,-2.8 258,-3.3 -2,-0.4 2,-1.1 -0.953 12.6-145.9-116.6 110.1 16.3 53.5 53.9 190 286 A M E -b 447 0A 15 41,-0.7 258,-0.2 -2,-0.6 43,-0.1 -0.666 31.4-124.6 -76.0 103.3 19.9 54.3 52.9 191 287 A L + 0 0 12 256,-2.2 258,-0.1 -2,-1.1 262,-0.1 -0.132 67.9 92.5 -49.6 142.2 19.5 53.9 49.1 192 288 A G + 0 0 6 260,-0.3 2,-0.3 261,-0.1 41,-0.1 -0.085 40.4 166.3 133.8 125.3 22.0 51.4 47.6 193 289 A E + 0 0 44 1,-0.1 43,-0.2 42,-0.1 3,-0.1 -0.918 47.8 42.1-153.0 176.0 21.8 47.7 46.9 194 290 A A - 0 0 55 -2,-0.3 42,-0.2 1,-0.1 -1,-0.1 0.873 69.8-153.0 46.0 51.9 23.3 44.7 45.2 195 291 A A - 0 0 3 40,-1.6 45,-3.1 43,-0.2 46,-0.5 -0.260 10.7-165.6 -52.5 134.4 26.9 45.7 46.1 196 292 A L + 0 0 111 43,-0.3 2,-0.2 44,-0.1 -1,-0.1 0.857 66.3 36.1 -91.9 -42.7 29.2 44.2 43.4 197 293 A T S > S- 0 0 65 42,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.658 82.2-114.1-110.3 166.8 32.6 44.5 45.1 198 294 A A H > S+ 0 0 65 1,-0.2 4,-1.6 -2,-0.2 5,-0.1 0.728 118.9 58.3 -68.8 -21.9 33.8 44.2 48.7 199 295 A A H > S+ 0 0 68 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.894 105.9 47.9 -72.8 -41.4 34.5 47.9 48.6 200 296 A D H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.959 111.2 49.7 -62.6 -51.4 30.9 48.6 47.8 201 297 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.877 111.7 51.1 -55.2 -38.4 29.7 46.4 50.6 202 298 A Q H X S+ 0 0 89 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.929 108.8 48.2 -66.1 -47.3 32.1 48.2 52.9 203 299 A A H X S+ 0 0 60 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.852 111.9 51.3 -62.8 -33.8 30.9 51.7 52.0 204 300 A Y H X S+ 0 0 55 -4,-2.3 4,-1.7 32,-0.2 -1,-0.2 0.881 109.3 49.9 -70.8 -37.6 27.3 50.5 52.4 205 301 A M H X S+ 0 0 10 -4,-1.9 4,-2.4 -5,-0.2 3,-0.3 0.960 111.9 48.1 -63.5 -50.9 28.1 49.1 55.9 206 302 A V H X S+ 0 0 72 -4,-2.6 4,-2.6 1,-0.3 5,-0.2 0.929 109.9 52.9 -54.2 -48.6 29.8 52.4 56.9 207 303 A S H X S+ 0 0 37 -4,-2.4 4,-1.5 1,-0.2 -1,-0.3 0.837 109.8 49.4 -57.8 -34.6 26.8 54.3 55.5 208 304 A Y H X S+ 0 0 2 -4,-1.7 4,-2.7 -3,-0.3 -2,-0.2 0.948 110.2 46.8 -72.1 -50.2 24.5 52.2 57.7 209 305 A Q H X S+ 0 0 66 -4,-2.4 4,-2.3 1,-0.3 5,-0.2 0.961 111.8 52.5 -54.6 -51.7 26.3 52.6 61.0 210 306 A Q H X S+ 0 0 112 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.3 0.900 110.8 50.2 -48.6 -42.7 26.6 56.3 60.3 211 307 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.2 5,-0.3 0.915 106.6 51.5 -63.8 -48.1 22.8 56.1 59.8 212 308 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.875 109.4 51.9 -59.3 -38.3 22.0 54.3 63.0 213 309 A H H X S+ 0 0 72 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.908 112.7 43.7 -65.7 -43.2 24.0 56.8 65.0 214 310 A A H X S+ 0 0 27 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.851 119.2 42.6 -71.3 -35.4 22.2 59.8 63.5 215 311 A I H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.912 112.6 53.6 -76.2 -42.5 18.8 58.2 63.8 216 312 A G H X S+ 0 0 3 -4,-3.0 4,-1.9 -5,-0.3 5,-0.4 0.821 111.1 46.0 -60.6 -33.7 19.5 56.9 67.3 217 313 A K H < S+ 0 0 141 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.859 113.9 48.5 -76.7 -37.2 20.4 60.3 68.5 218 314 A A H < S+ 0 0 43 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.870 110.9 50.8 -69.9 -38.5 17.4 61.9 66.8 219 315 A S H < S- 0 0 2 -4,-3.2 3,-0.4 -5,-0.1 -2,-0.2 0.968 84.5-173.1 -62.1 -53.1 15.1 59.2 68.4 220 316 A N S < S- 0 0 137 -4,-1.9 -3,-0.1 1,-0.2 48,-0.1 0.915 72.2 -37.6 59.6 51.7 16.6 59.9 71.8 221 317 A G S S+ 0 0 63 46,-0.5 -1,-0.2 -5,-0.4 3,-0.1 0.499 97.5 132.7 83.0 2.9 14.9 57.0 73.8 222 318 A R > - 0 0 99 -3,-0.4 4,-0.5 1,-0.1 3,-0.2 0.787 62.5-133.7 -57.2 -28.0 11.6 57.3 71.9 223 319 A G H > - 0 0 11 45,-0.3 4,-1.6 44,-0.3 47,-0.3 -0.156 23.7 -66.4 97.7 168.4 11.7 53.5 71.5 224 320 A I H 4 S+ 0 0 13 45,-0.2 46,-0.2 2,-0.2 -1,-0.2 0.730 128.6 39.6 -68.4 -24.8 11.1 51.0 68.7 225 321 A Y H 4 S+ 0 0 66 -3,-0.2 -1,-0.1 44,-0.1 -2,-0.1 0.913 126.9 26.9 -90.2 -53.2 7.4 51.8 68.3 226 322 A E H < S+ 0 0 106 -4,-0.5 -3,-0.2 2,-0.1 -2,-0.2 0.724 114.0 68.5 -84.4 -23.4 7.2 55.5 68.7 227 323 A G S < S- 0 0 0 -4,-1.6 43,-0.2 41,-0.2 -8,-0.1 -0.506 92.5 -85.1 -96.3 166.8 10.6 56.5 67.5 228 324 A P - 0 0 1 0, 0.0 42,-0.4 0, 0.0 2,-0.2 -0.184 43.5-167.1 -65.5 158.8 12.2 56.3 64.1 229 325 A G E -c 187 0A 5 -43,-2.1 -41,-2.3 40,-0.2 2,-0.3 -0.743 15.7-112.9-134.5-176.6 13.9 53.1 62.8 230 326 A I E -cd 188 271A 1 40,-2.5 42,-3.2 -43,-0.3 2,-0.5 -0.924 13.4-142.1-125.9 151.4 16.2 52.0 60.0 231 327 A S E -cd 189 272A 0 -43,-3.2 -41,-0.7 -2,-0.3 2,-0.3 -0.961 19.3-165.0-115.3 126.6 15.6 49.7 57.0 232 328 A I E - d 0 273A 0 40,-3.8 42,-3.2 -2,-0.5 2,-0.5 -0.852 11.5-153.9-114.1 145.5 18.4 47.4 55.8 233 329 A K > - 0 0 9 -2,-0.3 3,-1.9 40,-0.2 4,-0.4 -0.973 7.4-154.1-119.1 116.7 19.0 45.5 52.6 234 330 A L G >> S+ 0 0 2 -2,-0.5 3,-1.8 40,-0.4 4,-0.6 0.836 92.5 67.5 -57.8 -34.3 21.1 42.4 52.9 235 331 A S G 34 S+ 0 0 2 1,-0.3 -40,-1.6 2,-0.2 6,-0.4 0.661 97.4 55.9 -61.9 -15.0 22.1 42.7 49.2 236 332 A A G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 -42,-0.2 -32,-0.2 0.570 102.2 54.0 -94.3 -10.3 24.0 45.8 50.1 237 333 A L T <4 S+ 0 0 0 -3,-1.8 -2,-0.2 -4,-0.4 -1,-0.2 0.471 106.7 50.2-102.2 -4.8 26.2 44.2 52.8 238 334 A H S >< S- 0 0 6 -4,-0.6 3,-1.0 -3,-0.1 -43,-0.2 -0.996 87.0-113.7-136.8 131.7 27.6 41.4 50.8 239 335 A P T 3 S- 0 0 27 0, 0.0 -43,-0.3 0, 0.0 -42,-0.1 -0.419 99.4 -2.0 -65.7 133.0 29.3 41.5 47.4 240 336 A R T > S+ 0 0 155 -45,-3.1 3,-1.1 -5,-0.1 4,-0.3 0.931 77.4 171.4 50.7 53.3 27.3 39.8 44.7 241 337 A Y G X + 0 0 4 -3,-1.0 3,-1.3 -46,-0.5 -1,-0.1 0.824 63.6 76.1 -59.6 -34.7 24.6 38.7 47.2 242 338 A S G 3 S+ 0 0 57 1,-0.3 -1,-0.2 -7,-0.1 -2,-0.1 0.782 113.0 19.7 -49.4 -36.8 22.4 37.4 44.3 243 339 A R G < S+ 0 0 203 -3,-1.1 -1,-0.3 2,-0.0 -2,-0.2 0.186 95.9 139.8-120.7 14.3 24.5 34.3 43.8 244 340 A A < - 0 0 15 -3,-1.3 2,-0.2 -4,-0.3 -3,-0.1 -0.209 46.2-126.6 -61.6 148.0 26.2 34.3 47.2 245 341 A Q > - 0 0 148 1,-0.1 4,-2.2 38,-0.0 5,-0.2 -0.522 16.2-113.9 -95.6 163.1 26.7 31.0 49.1 246 342 A Y H > S+ 0 0 123 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.947 112.0 45.7 -59.9 -56.5 25.8 30.0 52.6 247 343 A D H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 116.2 46.5 -56.8 -44.9 29.2 29.6 54.2 248 344 A R H >>S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 5,-0.5 0.896 113.4 48.7 -65.4 -42.0 30.4 32.9 52.7 249 345 A V H X>S+ 0 0 0 -4,-2.2 5,-1.9 2,-0.2 4,-1.8 0.929 112.8 46.4 -64.3 -48.3 27.3 34.8 53.7 250 346 A M H <5S+ 0 0 29 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.886 114.9 48.7 -61.9 -39.8 27.4 33.5 57.3 251 347 A E H <5S+ 0 0 116 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.822 132.2 11.8 -71.0 -35.0 31.1 34.3 57.6 252 348 A E H X5S+ 0 0 62 -4,-2.0 4,-0.7 -5,-0.1 -3,-0.2 0.770 129.3 44.5-113.7 -40.8 31.0 37.8 56.2 253 349 A L H >X S+ 0 0 65 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.848 110.2 51.3 -50.4 -31.2 28.8 39.6 61.4 256 352 A R H X>S+ 0 0 0 -4,-1.5 5,-2.0 1,-0.2 4,-0.6 0.918 107.3 50.3 -65.9 -43.1 20.4 49.6 66.8 265 361 A R H ><5S+ 0 0 93 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.875 103.0 60.3 -62.7 -37.9 19.6 48.1 70.2 266 362 A Q H 3<5S+ 0 0 150 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.797 114.7 35.1 -60.9 -29.3 22.0 50.5 71.9 267 363 A Y H <<5S- 0 0 53 -4,-0.9 -46,-0.5 -3,-0.6 -44,-0.3 0.435 110.9-127.0-101.3 -4.0 19.9 53.4 70.6 268 364 A D T <<5 + 0 0 63 -3,-0.6 2,-0.3 -4,-0.6 -45,-0.3 0.941 59.7 139.5 55.3 54.2 16.7 51.4 71.0 269 365 A I < - 0 0 0 -5,-2.0 -1,-0.2 -47,-0.1 -45,-0.2 -0.925 58.1-103.1-122.6 150.0 15.5 51.9 67.5 270 366 A G - 0 0 8 -42,-0.4 -40,-2.5 -2,-0.3 2,-0.5 -0.489 28.9-157.2 -73.2 142.2 13.9 49.3 65.3 271 367 A I E -de 230 303A 2 31,-2.9 33,-3.1 -42,-0.2 2,-0.4 -0.960 11.3-162.1-122.9 112.3 16.1 47.7 62.6 272 368 A N E -de 231 304A 10 -42,-3.2 -40,-3.8 -2,-0.5 2,-0.8 -0.787 13.6-143.3-101.9 136.4 14.2 46.2 59.7 273 369 A I E -de 232 305A 4 31,-2.3 33,-1.9 -2,-0.4 -40,-0.2 -0.826 23.1-140.3 -97.4 104.8 15.4 43.7 57.1 274 370 A D - 0 0 9 -42,-3.2 -40,-0.4 -2,-0.8 2,-0.4 -0.184 15.0-124.2 -58.5 153.5 13.9 44.5 53.7 275 371 A A + 0 0 20 -42,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.863 36.6 168.1-102.9 137.9 12.9 41.5 51.6 276 372 A E + 0 0 11 -2,-0.4 65,-0.1 1,-0.4 64,-0.1 -0.012 45.3 1.3-120.5-136.0 14.3 41.2 48.1 277 373 A E > - 0 0 29 1,-0.1 3,-1.6 2,-0.1 -1,-0.4 -0.193 67.0-120.6 -55.2 148.4 14.5 38.6 45.3 278 374 A A G > S+ 0 0 4 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.827 109.3 63.4 -61.3 -35.5 12.7 35.3 46.1 279 375 A D G 3 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.458 100.3 54.9 -73.0 3.5 15.8 33.2 45.7 280 376 A R G <> S+ 0 0 40 -3,-1.6 4,-1.8 2,-0.1 -1,-0.3 0.296 82.4 90.2-113.4 4.9 17.3 35.1 48.7 281 377 A L H <> S+ 0 0 15 -3,-1.8 4,-1.7 2,-0.2 5,-0.2 0.934 84.0 51.5 -66.6 -47.2 14.4 34.3 51.0 282 378 A E H > S+ 0 0 111 -4,-0.4 4,-1.5 1,-0.2 3,-0.3 0.934 113.1 43.9 -55.6 -51.2 15.9 31.1 52.3 283 379 A I H > S+ 0 0 11 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.864 108.7 57.8 -64.5 -36.9 19.3 32.7 53.2 284 380 A S H X S+ 0 0 11 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.849 106.1 50.8 -62.8 -32.8 17.6 35.7 54.8 285 381 A L H X S+ 0 0 18 -4,-1.7 4,-3.4 -3,-0.3 -1,-0.2 0.863 106.8 53.1 -72.1 -36.7 15.8 33.4 57.1 286 382 A D H X S+ 0 0 61 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.891 110.8 47.0 -64.4 -40.1 19.0 31.7 58.1 287 383 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.848 114.0 49.7 -69.2 -33.4 20.5 35.0 59.0 288 384 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.2 -2,-0.2 0.955 107.4 51.4 -69.2 -52.9 17.3 35.9 60.9 289 385 A E H < S+ 0 0 56 -4,-3.4 4,-0.5 1,-0.2 -2,-0.2 0.930 113.5 46.1 -49.7 -51.1 17.2 32.7 62.9 290 386 A K H >< S+ 0 0 105 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.915 110.8 51.8 -59.6 -47.4 20.8 33.2 64.0 291 387 A L H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.901 101.6 60.7 -57.6 -44.6 20.3 36.9 64.8 292 388 A C T 3< S+ 0 0 2 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.625 104.0 51.7 -61.3 -13.9 17.3 36.2 67.1 293 389 A F T < S+ 0 0 100 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.200 74.0 127.1-109.9 16.1 19.5 34.0 69.3 294 390 A E X - 0 0 28 -3,-2.0 3,-3.1 1,-0.2 4,-0.5 -0.646 58.9-139.6 -76.2 119.3 22.3 36.5 69.9 295 391 A P G > S+ 0 0 100 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.846 103.1 57.5 -43.1 -46.1 22.8 36.8 73.7 296 392 A E G 3 S+ 0 0 109 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.600 107.3 49.9 -65.2 -11.3 23.3 40.6 73.4 297 393 A L G X S+ 0 0 0 -3,-3.1 3,-1.8 -6,-0.1 -1,-0.3 0.421 79.2 123.0-107.4 -0.9 19.8 40.7 71.8 298 394 A A T < S+ 0 0 60 -3,-1.6 3,-0.1 -4,-0.5 31,-0.1 -0.383 79.2 18.0 -63.2 135.5 17.9 38.8 74.3 299 395 A G T 3 S+ 0 0 65 30,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.270 101.2 110.6 87.5 -11.9 15.0 40.8 75.8 300 396 A W < - 0 0 14 -3,-1.8 3,-0.3 1,-0.1 -1,-0.2 -0.850 43.5-174.4-102.3 129.8 15.0 43.2 72.8 301 397 A N + 0 0 49 -2,-0.5 -1,-0.1 1,-0.2 32,-0.1 0.029 53.4 107.4-110.6 26.9 12.2 43.3 70.3 302 398 A G + 0 0 0 -33,-0.1 -31,-2.9 -32,-0.1 2,-0.6 0.354 45.0 115.1 -86.3 6.7 13.5 45.8 67.8 303 399 A I E -e 271 0A 1 -3,-0.3 30,-2.1 28,-0.2 2,-0.4 -0.679 48.6-165.8 -81.7 119.4 14.3 43.3 65.1 304 400 A G E -ef 272 333A 2 -33,-3.1 -31,-2.3 -2,-0.6 2,-0.4 -0.837 8.7-174.8-108.9 145.1 12.1 43.8 62.0 305 401 A F E -ef 273 334A 5 28,-2.6 30,-1.8 -2,-0.4 2,-0.4 -0.997 15.4-141.3-140.8 133.1 11.6 41.5 59.1 306 402 A V E - f 0 335A 6 -33,-1.9 2,-0.4 -2,-0.4 30,-0.2 -0.739 13.7-167.9 -95.0 137.9 9.7 42.0 55.9 307 403 A I E - f 0 336A 4 28,-2.3 30,-2.1 -2,-0.4 2,-0.7 -0.995 17.1-134.8-126.5 133.0 7.6 39.2 54.3 308 404 A Q E > - f 0 337A 10 -2,-0.4 3,-1.4 28,-0.2 6,-0.3 -0.786 8.1-162.5 -93.2 115.5 6.2 39.4 50.8 309 405 A A T 3 S+ 0 0 0 28,-3.4 29,-0.2 -2,-0.7 30,-0.2 0.619 84.9 71.4 -69.9 -15.3 2.6 38.4 50.3 310 406 A Y T 3 S+ 0 0 6 28,-2.4 50,-1.8 27,-0.2 2,-0.3 0.563 85.1 87.6 -79.6 -2.7 2.9 38.0 46.6 311 407 A Q B X S-J 359 0B 5 -3,-1.4 3,-0.6 27,-0.2 48,-0.2 -0.677 78.8-136.8 -92.8 148.1 4.9 34.9 47.3 312 408 A K T 3 S+ 0 0 102 46,-1.8 4,-0.3 -2,-0.3 47,-0.1 0.709 103.0 59.9 -75.7 -19.1 3.3 31.5 47.8 313 409 A R T >> S+ 0 0 78 45,-0.4 4,-2.6 1,-0.2 3,-0.7 0.631 77.3 96.7 -82.3 -15.3 5.6 30.7 50.8 314 410 A C H <> S+ 0 0 4 -3,-0.6 4,-2.1 -6,-0.3 -1,-0.2 0.871 82.1 47.0 -44.2 -55.0 4.4 33.8 52.8 315 411 A P H 3> S+ 0 0 35 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.876 115.8 47.5 -59.4 -33.3 1.8 32.0 54.9 316 412 A L H <> S+ 0 0 106 -3,-0.7 4,-1.8 -4,-0.3 -2,-0.2 0.838 107.5 55.1 -74.0 -34.2 4.3 29.3 55.6 317 413 A V H X S+ 0 0 12 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.856 105.3 55.1 -65.9 -33.6 7.0 31.8 56.4 318 414 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.895 104.5 51.9 -66.3 -41.2 4.6 33.3 59.0 319 415 A D H X S+ 0 0 72 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.907 112.2 47.4 -61.6 -40.1 4.2 29.9 60.7 320 416 A Y H X S+ 0 0 59 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.913 111.3 50.0 -67.1 -42.7 7.9 29.7 60.9 321 417 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.883 107.0 54.0 -64.0 -39.6 8.2 33.3 62.2 322 418 A I H X S+ 0 0 35 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.885 112.1 46.2 -61.7 -37.3 5.6 32.7 64.9 323 419 A D H X S+ 0 0 78 -4,-1.5 4,-3.3 -5,-0.2 -2,-0.2 0.872 110.7 51.8 -72.8 -37.8 7.7 29.7 66.0 324 420 A L H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.902 108.7 50.8 -65.7 -41.4 11.0 31.7 65.9 325 421 A A H <>S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 4,-0.3 0.939 114.4 45.2 -60.7 -46.1 9.5 34.4 68.1 326 422 A T H ><5S+ 0 0 52 -4,-1.8 3,-1.0 -5,-0.2 -2,-0.2 0.957 117.0 43.1 -61.8 -52.5 8.4 31.7 70.5 327 423 A R H 3<5S+ 0 0 85 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.879 119.4 42.5 -63.2 -39.8 11.7 29.9 70.5 328 424 A S T 3<5S- 0 0 13 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.368 109.4-127.8 -89.0 6.5 13.8 33.0 70.7 329 425 A R T < 5 + 0 0 194 -3,-1.0 -30,-0.4 -4,-0.3 2,-0.3 0.942 66.3 103.3 46.5 67.5 11.4 34.5 73.3 330 426 A R S + 0 0 25 -65,-0.1 4,-2.1 1,-0.1 5,-0.2 0.072 61.5 126.4-117.3 24.4 9.9 42.8 42.3 342 438 A W H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 73.2 50.1 -49.2 -53.5 7.0 41.1 40.6 343 439 A D H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 114.1 45.9 -53.3 -47.3 8.1 41.9 37.0 344 440 A S H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.811 109.9 54.8 -66.7 -31.3 11.6 40.6 37.6 345 441 A E H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.927 109.9 45.6 -68.5 -44.0 10.2 37.5 39.4 346 442 A I H X S+ 0 0 13 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.978 115.3 46.4 -61.0 -57.2 8.0 36.6 36.4 347 443 A K H X S+ 0 0 85 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.926 113.1 49.5 -50.5 -54.0 10.8 37.2 33.9 348 444 A R H X S+ 0 0 80 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.927 110.4 50.2 -52.4 -50.2 13.4 35.3 36.0 349 445 A A H X>S+ 0 0 10 -4,-2.4 4,-1.0 1,-0.2 5,-0.9 0.839 110.1 51.5 -59.5 -35.4 11.0 32.3 36.4 350 446 A Q H <5S+ 0 0 50 -4,-2.2 -1,-0.2 -3,-0.2 3,-0.2 0.911 110.8 46.0 -69.8 -43.2 10.4 32.2 32.7 351 447 A M H <5S+ 0 0 146 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.897 111.9 52.6 -65.5 -40.4 14.1 32.2 31.8 352 448 A D H <5S- 0 0 106 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.737 93.8-150.6 -67.1 -24.7 14.7 29.5 34.4 353 449 A G T <5 + 0 0 25 -4,-1.0 -3,-0.2 -3,-0.2 -4,-0.1 0.873 36.7 158.9 54.4 42.6 12.0 27.4 32.9 354 450 A L < - 0 0 82 -5,-0.9 159,-0.3 2,-0.2 -1,-0.1 -0.277 59.0 -80.9 -89.4 178.5 11.2 25.7 36.2 355 451 A E S S- 0 0 148 157,-0.1 2,-0.2 -2,-0.1 158,-0.2 0.839 97.4 -40.7 -45.4 -45.7 8.0 23.9 37.4 356 452 A G S S- 0 0 23 155,-0.1 -2,-0.2 156,-0.1 -1,-0.0 -0.802 72.7 -58.1-160.4-157.7 6.2 27.2 38.2 357 453 A Y - 0 0 10 -2,-0.2 -45,-0.1 2,-0.1 -11,-0.1 -0.852 23.5-147.7-107.5 140.1 6.3 30.7 39.6 358 454 A P S S+ 0 0 40 0, 0.0 -46,-1.8 0, 0.0 -45,-0.4 0.606 88.2 48.4 -79.4 -11.3 7.3 31.6 43.2 359 455 A V B S-J 311 0B 1 -48,-0.2 -48,-0.2 -47,-0.1 -2,-0.1 -0.758 97.4 -92.4-120.9 168.4 4.9 34.6 43.1 360 456 A Y - 0 0 57 -50,-1.8 -14,-0.1 -2,-0.2 -1,-0.1 -0.402 21.5-147.9 -79.0 159.8 1.2 34.8 42.0 361 457 A T S S+ 0 0 13 1,-0.1 2,-0.5 -2,-0.1 -1,-0.1 0.629 79.6 61.7-103.3 -18.5 0.3 35.8 38.4 362 458 A R S >> S- 0 0 30 1,-0.1 3,-1.2 144,-0.1 4,-1.0 -0.939 75.9-139.2-110.6 132.0 -3.0 37.7 39.0 363 459 A K H >> S+ 0 0 67 -2,-0.5 4,-1.7 1,-0.3 3,-0.5 0.874 101.8 60.5 -54.6 -41.6 -2.9 40.9 41.1 364 460 A V H 3> S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.767 98.2 58.6 -59.7 -27.6 -6.1 39.9 42.9 365 461 A Y H <> S+ 0 0 21 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.888 103.8 50.7 -70.5 -38.6 -4.5 36.7 44.2 366 462 A T H < S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.922 109.3 51.8 -68.1 -44.9 -0.3 38.0 62.0 378 474 A L H 3< S+ 0 0 23 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.689 99.0 67.3 -67.2 -17.5 -3.0 39.8 64.0 379 475 A A T 3< S+ 0 0 75 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.638 98.8 50.6 -79.0 -13.9 -3.9 36.6 65.8 380 476 A V X> + 0 0 27 -3,-1.4 4,-2.0 -4,-0.3 3,-1.5 -0.508 59.5 158.9-125.2 66.6 -0.6 36.4 67.7 381 477 A P T 34 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.697 74.3 58.7 -59.5 -23.9 -0.1 39.9 69.3 382 478 A N T 34 S+ 0 0 118 1,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.716 115.8 32.4 -80.3 -21.2 2.3 38.5 71.9 383 479 A L T <4 S+ 0 0 22 -3,-1.5 -51,-2.8 1,-0.2 2,-0.4 0.640 120.9 39.2-109.3 -19.3 4.7 37.2 69.2 384 480 A I E < -g 332 0A 0 -4,-2.0 -1,-0.2 -53,-0.3 -51,-0.2 -0.993 50.9-157.7-142.0 138.3 4.4 39.7 66.4 385 481 A Y E -g 333 0A 0 -53,-3.1 -51,-1.4 -2,-0.4 2,-0.2 -0.920 33.1-144.8-108.2 101.7 3.9 43.5 66.0 386 482 A P E -g 334 0A 2 0, 0.0 27,-1.9 0, 0.0 2,-0.5 -0.477 14.7-166.4 -73.6 137.5 2.4 43.7 62.5 387 483 A Q E -gh 335 413A 8 -53,-2.4 -51,-1.6 25,-0.2 2,-1.1 -0.903 12.8-152.9-125.1 96.2 3.3 46.7 60.3 388 484 A F E -gh 336 414A 0 25,-2.4 27,-1.7 -2,-0.5 2,-0.6 -0.625 8.6-163.4 -81.2 98.7 0.8 46.8 57.4 389 485 A A E + h 0 415A 21 -53,-1.8 2,-0.3 -2,-1.1 -51,-0.2 -0.713 33.3 121.5 -84.4 115.4 2.5 48.4 54.4 390 486 A T - 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