==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-APR-06 2CJQ . COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOVINE VIRAL DIARRHEA VIRUS; . AUTHOR K.H.CHOI,A.GALLEI,P.BECHER,M.G.ROSSMANN . 546 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 10.3 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 2 0 3 1 3 2 1 1 1 2 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 2 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 92 A V 0 0 174 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-172.5 7.0 40.7 5.7 2 93 A I - 0 0 22 1,-0.1 2,-0.2 2,-0.1 5,-0.1 -0.408 360.0 -81.6 -93.8 171.5 5.8 37.2 5.1 3 94 A R >> - 0 0 85 -2,-0.1 3,-2.4 1,-0.1 4,-0.7 -0.542 45.1-113.0 -75.0 143.5 6.4 34.1 7.4 4 95 A E G >4 S+ 0 0 141 1,-0.3 3,-1.0 -2,-0.2 4,-0.2 0.829 114.1 51.2 -44.0 -49.2 9.8 32.6 6.9 5 96 A H G 34 S+ 0 0 34 1,-0.2 -1,-0.3 2,-0.1 151,-0.2 0.469 107.3 57.4 -73.5 1.2 8.6 29.3 5.4 6 97 A N G X4 S+ 0 0 1 -3,-2.4 3,-1.4 1,-0.1 4,-0.3 0.587 80.6 84.5-104.2 -14.1 6.5 31.2 2.9 7 98 A K G XX + 0 0 62 -3,-1.0 3,-1.1 -4,-0.7 4,-1.1 0.641 66.4 85.3 -65.4 -15.4 9.2 33.2 1.3 8 99 A W G 34 S+ 0 0 23 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.759 86.8 56.0 -58.7 -23.7 10.2 30.4 -1.1 9 100 A I G X4 S+ 0 0 0 -3,-1.4 3,-1.1 1,-0.2 -1,-0.3 0.761 96.8 61.7 -81.2 -25.2 7.4 31.7 -3.5 10 101 A L G X4 S+ 0 0 66 -3,-1.1 3,-1.7 -4,-0.3 -1,-0.2 0.853 92.2 65.9 -67.7 -33.9 8.9 35.3 -3.7 11 102 A K G 3< S+ 0 0 151 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.276 103.7 49.9 -70.8 14.1 12.0 33.8 -5.2 12 103 A K G < S+ 0 0 71 -3,-1.1 2,-0.9 18,-0.0 19,-0.4 0.377 72.3 120.1-132.3 -0.0 9.8 32.9 -8.1 13 104 A V < + 0 0 32 -3,-1.7 17,-0.2 1,-0.2 16,-0.1 -0.584 31.8 174.9 -73.1 104.6 7.9 36.2 -8.9 14 105 A R + 0 0 140 -2,-0.9 16,-0.2 15,-0.6 2,-0.2 0.732 61.6 25.8 -83.4 -25.2 8.9 36.9 -12.5 15 106 A H S S- 0 0 112 14,-3.1 2,-0.3 16,-0.0 16,-0.1 -0.585 90.0 -78.8-126.9-170.5 6.7 40.0 -12.9 16 107 A Q - 0 0 174 12,-0.2 12,-0.2 -2,-0.2 2,-0.2 -0.745 58.8 -82.9 -98.6 142.1 4.9 42.8 -11.0 17 108 A G + 0 0 28 10,-0.5 -1,-0.1 -2,-0.3 9,-0.1 -0.151 48.5 174.4 -43.9 102.7 1.7 42.4 -9.1 18 109 A N + 0 0 110 -2,-0.2 -1,-0.2 2,-0.0 259,-0.0 0.608 56.8 79.0 -89.7 -15.7 -0.9 42.7 -11.8 19 110 A L S S- 0 0 4 259,-0.1 7,-0.1 7,-0.1 10,-0.0 0.041 78.7-132.5 -74.1-164.7 -3.8 42.0 -9.5 20 111 A N + 0 0 111 46,-0.2 2,-0.1 0, 0.0 -2,-0.0 -0.204 35.7 159.7-155.3 57.2 -5.2 44.7 -7.2 21 112 A T - 0 0 24 1,-0.1 5,-0.1 3,-0.1 49,-0.1 -0.420 20.9-168.9 -77.3 154.6 -5.7 43.5 -3.6 22 113 A K S S+ 0 0 181 48,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.396 84.0 23.6-123.6 -4.1 -5.8 46.1 -0.8 23 114 A K S S+ 0 0 125 1,-0.3 2,-0.3 52,-0.0 51,-0.1 0.623 111.1 60.3-131.5 -37.7 -5.6 43.9 2.2 24 115 A T S S- 0 0 8 52,-0.1 -1,-0.3 1,-0.1 2,-0.2 -0.756 94.4 -99.2 -95.4 146.1 -3.9 40.6 1.3 25 116 A L E -A 280 0A 109 255,-0.6 255,-2.3 -2,-0.3 -3,-0.1 -0.431 30.9-170.2 -69.1 134.2 -0.3 40.8 -0.0 26 117 A N E + 0 0 31 253,-0.2 -9,-0.2 -2,-0.2 253,-0.2 -0.633 8.3 175.8-124.4 71.1 0.1 40.6 -3.8 27 118 A P E - 0 0 42 0, 0.0 -10,-0.5 0, 0.0 2,-0.3 0.762 53.7 -81.8 -45.0 -38.5 4.0 40.2 -4.3 28 119 A G E -A 278 0A 0 250,-0.9 250,-1.1 -12,-0.2 -12,-0.2 -0.925 47.8 -62.2 154.7-179.0 3.7 39.8 -8.0 29 120 A K E -A 277 0A 62 -2,-0.3 -14,-3.1 248,-0.2 -15,-0.6 -0.637 35.5-146.9 -99.7 158.9 3.0 37.5 -11.0 30 121 A L - 0 0 3 246,-1.5 2,-0.2 -17,-0.2 -17,-0.1 -0.563 34.4 -86.7-110.7 177.4 4.9 34.4 -12.1 31 122 A S - 0 0 73 -19,-0.4 2,-0.4 -2,-0.2 -1,-0.1 -0.564 46.6-145.7 -81.2 152.1 5.5 33.0 -15.6 32 123 A E 0 0 123 -2,-0.2 243,-0.0 243,-0.1 242,-0.0 -0.984 360.0 360.0-131.1 134.0 2.7 30.8 -16.8 33 124 A Q 0 0 214 -2,-0.4 -2,-0.0 0, 0.0 243,-0.0 -0.586 360.0 360.0-100.0 360.0 2.7 27.6 -19.0 34 ! 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 35 133 A N 0 0 160 0, 0.0 2,-0.2 0, 0.0 378,-0.1 0.000 360.0 360.0 360.0 26.8 -20.6 19.0 -20.7 36 134 A I - 0 0 127 374,-0.0 376,-0.5 1,-0.0 2,-0.3 -0.572 360.0-106.9-111.8 175.7 -22.1 16.1 -22.7 37 135 A Y - 0 0 109 374,-0.2 2,-1.6 -2,-0.2 374,-0.2 -0.816 16.5-124.4-110.4 148.0 -25.4 14.3 -22.8 38 136 A N >> - 0 0 5 372,-1.5 4,-3.1 -2,-0.3 3,-1.2 -0.711 33.3-156.8 -85.4 88.1 -26.6 10.9 -21.6 39 137 A N H 3> S+ 0 0 115 -2,-1.6 4,-2.1 1,-0.3 -1,-0.2 0.805 85.8 44.2 -35.2 -59.0 -28.0 9.9 -25.0 40 138 A Q H 3> S+ 0 0 56 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.829 119.8 44.1 -62.0 -31.7 -30.5 7.3 -23.9 41 139 A I H <> S+ 0 0 0 -3,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.916 114.2 46.0 -78.9 -48.1 -31.7 9.6 -21.1 42 140 A G H X S+ 0 0 6 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.830 112.6 54.9 -64.1 -30.1 -31.9 12.8 -23.1 43 141 A T H X S+ 0 0 48 -4,-2.1 4,-3.4 -5,-0.4 5,-0.3 0.939 106.1 47.0 -69.1 -49.1 -33.6 10.9 -25.8 44 142 A I H X S+ 0 0 9 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.921 115.6 49.7 -58.8 -39.7 -36.4 9.5 -23.7 45 143 A M H X>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-0.9 0.923 112.4 45.3 -62.0 -48.7 -36.8 13.1 -22.4 46 144 A T H ><5S+ 0 0 81 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.943 113.1 50.0 -60.2 -49.5 -36.9 14.5 -25.9 47 145 A E H 3<5S+ 0 0 115 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.815 106.6 58.1 -59.4 -31.5 -39.3 11.9 -27.1 48 146 A A H 3<5S- 0 0 2 -4,-1.7 461,-0.3 -5,-0.3 -1,-0.3 0.741 126.3 -99.2 -72.6 -23.5 -41.4 12.7 -24.0 49 147 A G T <<5S+ 0 0 23 -3,-1.1 453,-0.5 -4,-0.9 2,-0.3 0.564 75.0 142.7 112.8 15.5 -41.7 16.4 -25.0 50 148 A I < - 0 0 6 -5,-2.5 2,-0.7 451,-0.2 -1,-0.3 -0.646 46.5-136.7 -90.4 147.5 -39.0 17.8 -22.8 51 149 A R >> - 0 0 113 449,-2.2 3,-1.8 -2,-0.3 4,-0.5 -0.801 13.4-170.4-112.2 91.9 -36.8 20.6 -24.0 52 150 A L T 34 S+ 0 0 20 -2,-0.7 3,-0.5 1,-0.3 -1,-0.1 0.699 88.2 56.9 -47.7 -32.3 -33.2 20.0 -23.0 53 151 A E T 34 S+ 0 0 139 1,-0.2 -1,-0.3 447,-0.1 447,-0.1 0.845 103.0 56.5 -70.1 -33.7 -32.1 23.5 -24.1 54 152 A K T <4 S+ 0 0 78 -3,-1.8 -2,-0.2 446,-0.1 -1,-0.2 0.558 86.5 102.1 -72.6 -15.6 -34.8 24.8 -21.7 55 153 A L S < S- 0 0 10 -4,-0.5 2,-0.3 -3,-0.5 349,-0.1 -0.437 83.1-100.2 -72.9 146.3 -33.2 23.0 -18.7 56 154 A P + 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.510 46.2 165.1 -74.4 132.7 -31.1 25.0 -16.3 57 155 A V 0 0 107 -2,-0.3 347,-0.0 1,-0.1 351,-0.0 -0.982 360.0 360.0-143.2 146.2 -27.2 24.8 -16.5 58 156 A V 0 0 168 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.739 360.0 360.0 -76.6 360.0 -24.6 27.1 -14.9 59 ! 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 60 160 A T 0 0 126 0, 0.0 2,-0.2 0, 0.0 101,-0.0 0.000 360.0 360.0 360.0 149.9 -14.3 31.4 -17.1 61 161 A D >> - 0 0 67 2,-0.0 4,-2.9 105,-0.0 3,-0.7 -0.606 360.0-146.7-173.7 103.1 -13.2 35.0 -17.5 62 162 A T T 34 S+ 0 0 66 1,-0.3 4,-0.2 2,-0.2 213,-0.0 0.466 105.2 44.1 -56.5 0.2 -9.6 36.0 -16.5 63 163 A K T 34 S+ 0 0 130 2,-0.1 4,-0.5 3,-0.1 -1,-0.3 0.670 113.1 46.0-115.1 -32.2 -11.2 39.4 -15.6 64 164 A S T <> S+ 0 0 39 -3,-0.7 4,-1.4 2,-0.2 -2,-0.2 0.722 113.1 54.0 -81.4 -25.0 -14.4 38.3 -13.9 65 165 A F H X S+ 0 0 7 -4,-2.9 4,-1.8 2,-0.2 3,-0.4 0.958 103.1 52.6 -71.9 -54.5 -12.3 35.8 -11.9 66 166 A H H > S+ 0 0 15 -5,-0.3 4,-1.8 1,-0.3 -1,-0.2 0.763 106.3 59.4 -54.3 -23.0 -9.8 38.4 -10.6 67 167 A E H > S+ 0 0 98 -4,-0.5 4,-2.2 2,-0.2 -1,-0.3 0.946 100.3 51.6 -70.3 -50.2 -12.9 40.2 -9.5 68 168 A A H X>S+ 0 0 11 -4,-1.4 4,-2.9 -3,-0.4 5,-0.7 0.924 109.1 52.2 -52.0 -48.1 -14.1 37.4 -7.2 69 169 A I H X>S+ 0 0 0 -4,-1.8 5,-2.2 1,-0.2 4,-1.1 0.955 113.3 42.6 -53.7 -54.6 -10.7 37.3 -5.6 70 170 A R H <5S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.753 117.9 48.3 -65.2 -24.7 -10.8 41.1 -4.8 71 171 A D H <5S+ 0 0 136 -4,-2.2 -2,-0.2 -3,-0.2 -1,-0.2 0.851 130.2 9.0 -86.3 -37.5 -14.4 40.9 -3.7 72 172 A K H <5S+ 0 0 93 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.776 129.9 40.8-114.5 -39.9 -14.4 38.0 -1.3 73 173 A I T < - 0 0 31 274,-1.7 3,-1.9 -2,-0.4 4,-0.3 -0.153 53.1-101.1 -46.3 129.2 -14.6 37.7 20.9 82 182 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.229 106.9 17.4 -56.5 143.9 -11.7 37.0 23.2 83 183 A G T 3> S+ 0 0 30 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 0.543 86.9 127.2 71.1 5.6 -11.7 33.5 24.8 84 184 A L H <> S+ 0 0 2 -3,-1.9 4,-2.1 1,-0.2 5,-0.1 0.910 72.6 47.7 -60.1 -42.9 -14.2 32.4 22.2 85 185 A H H > S+ 0 0 24 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.795 107.0 54.9 -71.2 -29.8 -12.0 29.5 21.2 86 186 A D H > S+ 0 0 122 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.941 111.2 47.1 -67.1 -42.4 -11.5 28.4 24.8 87 187 A K H X S+ 0 0 79 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.886 111.2 50.5 -63.5 -41.5 -15.3 28.3 25.1 88 188 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.3 0.926 109.3 49.8 -64.3 -44.0 -15.8 26.4 21.9 89 189 A L H X S+ 0 0 49 -4,-2.3 4,-1.5 1,-0.3 -1,-0.2 0.834 107.0 57.7 -62.8 -28.4 -13.2 23.8 23.0 90 190 A E H < S+ 0 0 92 -4,-1.4 4,-0.4 1,-0.2 -1,-0.3 0.883 107.7 46.2 -68.0 -35.9 -15.3 23.7 26.2 91 191 A I H >< S+ 0 0 0 -4,-1.6 3,-1.4 -3,-0.3 4,-0.4 0.867 104.9 60.9 -72.9 -37.9 -18.3 22.8 24.1 92 192 A F H >X S+ 0 0 2 -4,-2.6 3,-1.6 1,-0.3 4,-1.1 0.863 98.0 59.0 -57.7 -37.1 -16.3 20.2 22.1 93 193 A H T 3< S+ 0 0 117 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.743 98.5 59.2 -66.9 -18.6 -15.7 18.4 25.4 94 194 A T T <4 S+ 0 0 56 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.572 118.0 29.9 -84.7 -8.3 -19.4 18.0 25.8 95 195 A I T <4 S+ 0 0 28 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.2 0.330 89.7 122.4-128.0 2.1 -19.7 16.1 22.5 96 196 A A < - 0 0 15 -4,-1.1 99,-0.0 -5,-0.1 -3,-0.0 -0.312 60.7-128.5 -65.3 150.1 -16.3 14.4 22.4 97 197 A Q > - 0 0 66 1,-0.2 3,-1.5 97,-0.1 4,-0.3 -0.870 17.4-168.6-105.2 106.3 -16.3 10.6 22.1 98 198 A P G > S+ 0 0 102 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.820 82.6 67.0 -60.1 -32.9 -14.0 9.1 24.8 99 199 A S G 3 S+ 0 0 107 1,-0.2 -2,-0.0 4,-0.0 0, 0.0 0.402 108.8 37.5 -71.7 5.0 -14.1 5.6 23.2 100 200 A L G X S+ 0 0 46 -3,-1.5 3,-1.2 151,-0.0 4,-0.4 0.292 83.2 135.0-134.1 4.1 -12.2 6.9 20.1 101 201 A R T < S- 0 0 141 -3,-1.1 149,-0.3 -4,-0.3 148,-0.1 -0.384 81.8 -5.5 -63.3 123.6 -9.8 9.3 21.9 102 202 A H T 3 S+ 0 0 62 147,-2.1 -1,-0.3 -2,-0.2 149,-0.2 0.881 107.0 106.4 60.4 42.6 -6.2 9.0 20.6 103 203 A T < + 0 0 56 147,-2.0 148,-0.2 -3,-1.2 -2,-0.1 0.584 43.3 99.7-123.9 -19.0 -7.0 6.1 18.4 104 204 A Y B +e 251 0B 9 146,-3.0 148,-2.2 -4,-0.4 2,-0.3 -0.401 41.0 155.4 -72.4 152.7 -7.0 7.3 14.8 105 205 A S - 0 0 28 146,-0.2 81,-0.4 -2,-0.1 -2,-0.0 -0.850 45.0 -58.1-158.7-174.9 -4.0 6.7 12.6 106 206 A D - 0 0 62 -2,-0.3 2,-0.3 79,-0.1 77,-0.2 -0.280 45.1-138.9 -77.7 162.7 -3.2 6.4 8.9 107 207 A V - 0 0 21 75,-2.1 78,-0.1 1,-0.1 -1,-0.1 -0.770 26.5 -89.7-117.5 165.6 -4.7 3.9 6.5 108 208 A T > - 0 0 78 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.241 32.0-113.2 -73.3 159.8 -3.2 1.9 3.6 109 209 A W H > S+ 0 0 39 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.881 119.7 58.4 -56.2 -39.8 -2.9 3.0 -0.0 110 210 A E H > S+ 0 0 156 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.932 107.6 44.8 -56.4 -48.0 -5.4 0.3 -0.8 111 211 A Q H 4 S+ 0 0 82 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.875 116.9 47.1 -65.3 -36.7 -7.9 1.9 1.6 112 212 A L H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.875 103.5 58.4 -73.5 -40.9 -7.1 5.3 0.1 113 213 A E H 3< S+ 0 0 78 -4,-3.6 3,-0.5 1,-0.3 -1,-0.2 0.635 99.5 61.5 -67.0 -11.4 -7.3 4.4 -3.6 114 214 A A T 3< S+ 0 0 82 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.174 109.6 42.8 -96.7 15.7 -10.9 3.3 -2.9 115 215 A G S < S+ 0 0 17 -3,-2.0 2,-0.3 0, 0.0 -1,-0.2 -0.018 97.0 82.1-152.1 39.0 -11.7 6.9 -1.9 116 216 A V S S- 0 0 45 -3,-0.5 2,-0.8 434,-0.1 3,-0.0 -0.992 70.2-118.3-147.4 152.4 -10.0 9.3 -4.3 117 217 A N > - 0 0 101 -2,-0.3 3,-2.4 1,-0.1 14,-0.2 -0.813 16.0-156.5 -92.7 108.7 -10.6 10.9 -7.8 118 218 A R T 3 S+ 0 0 98 -2,-0.8 13,-2.5 1,-0.3 14,-0.3 0.712 93.5 63.1 -58.0 -18.1 -7.8 9.8 -10.1 119 219 A K T 3 S+ 0 0 165 11,-0.2 -1,-0.3 12,-0.1 3,-0.1 0.287 72.3 147.0 -90.0 10.4 -8.7 12.9 -12.1 120 220 A G < - 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0 0 1 -3,-0.9 2,-0.2 -4,-0.7 -157,-0.1 -0.585 57.2-151.9 -72.1 127.8 -12.6 30.9 8.7 236 354 A T > - 0 0 1 -2,-0.4 4,-2.0 -159,-0.1 3,-0.3 -0.586 25.6-116.1 -99.0 157.9 -10.0 32.4 11.1 237 355 A S H > S+ 0 0 16 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.903 122.2 51.1 -56.1 -42.5 -6.5 31.3 11.9 238 356 A R H > S+ 0 0 104 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.793 104.4 57.1 -67.5 -26.2 -7.8 30.7 15.4 239 357 A D H > S+ 0 0 1 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.898 108.5 47.1 -69.8 -39.2 -10.6 28.6 14.0 240 358 A L H X S+ 0 0 5 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.904 108.1 53.9 -68.4 -42.3 -8.0 26.4 12.3 241 359 A R H X S+ 0 0 101 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.904 108.2 53.0 -57.6 -41.4 -5.9 26.0 15.5 242 360 A L H >X S+ 0 0 7 -4,-1.7 4,-2.1 1,-0.2 3,-0.7 0.973 107.6 48.4 -57.8 -58.6 -9.1 24.9 17.2 243 361 A I H 3X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.813 108.5 55.4 -54.7 -32.2 -9.8 22.2 14.6 244 362 A G H 3X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.879 106.3 51.3 -68.6 -36.2 -6.2 21.0 14.9 245 363 A E H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-1.0 0.912 109.0 52.0 -68.4 -39.5 -9.8 18.5 18.1 247 365 A Q H 3X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.3 -1,-0.2 0.856 105.5 56.1 -63.7 -34.0 -8.1 16.3 15.5 248 366 A K H 3< S+ 0 0 27 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.679 97.9 63.1 -72.1 -15.9 -5.4 15.7 18.1 249 367 A Y H << S+ 0 0 23 -3,-1.0 -147,-2.1 -4,-0.6 -1,-0.2 0.915 113.9 33.2 -71.2 -42.9 -8.1 14.5 20.5 250 368 A Y H < S+ 0 0 0 -4,-1.2 -146,-3.0 -149,-0.3 -147,-2.0 0.795 107.2 76.7 -84.6 -31.2 -8.8 11.6 18.1 251 369 A Y B < S-e 104 0B 0 -4,-2.5 2,-0.2 -149,-0.2 -146,-0.2 -0.401 88.2 -96.9 -84.2 157.9 -5.4 10.9 16.6 252 370 A R > - 0 0 98 -148,-2.2 3,-3.8 1,-0.1 4,-0.3 -0.532 35.7-115.0 -70.6 137.6 -2.5 9.0 18.1 253 371 A K G > S+ 0 0 109 1,-0.3 3,-1.5 -2,-0.2 4,-0.5 0.719 113.2 73.4 -41.1 -31.7 0.1 11.2 19.7 254 372 A E G 3 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.675 101.5 44.2 -61.3 -16.7 2.6 10.0 17.1 255 373 A W G <> S+ 0 0 6 -3,-3.8 4,-2.0 1,-0.1 -1,-0.3 0.389 84.3 94.7-110.4 1.9 0.6 12.1 14.6 256 374 A H H <> S+ 0 0 44 -3,-1.5 4,-2.8 -4,-0.3 5,-0.2 0.870 84.8 51.2 -62.4 -37.4 0.2 15.3 16.7 257 375 A K H > S+ 0 0 107 -4,-0.5 4,-3.4 -108,-0.2 -1,-0.2 0.908 107.3 53.3 -67.2 -41.4 3.3 17.0 15.2 258 376 A F H > S+ 0 0 0 -109,-0.4 4,-2.8 -4,-0.2 5,-0.3 0.925 112.8 45.6 -56.5 -46.7 2.0 16.3 11.6 259 377 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.933 113.6 47.4 -63.7 -49.4 -1.3 18.0 12.6 260 378 A D H X S+ 0 0 54 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.943 115.4 47.5 -58.4 -45.9 0.4 20.9 14.2 261 379 A T H X S+ 0 0 1 -4,-3.4 4,-1.5 -113,-0.2 -2,-0.2 0.962 113.8 43.6 -59.7 -57.2 2.7 21.3 11.2 262 380 A I H X S+ 0 0 10 -4,-2.8 4,-1.5 1,-0.3 -1,-0.2 0.852 113.0 53.2 -59.0 -37.1 0.1 21.1 8.5 263 381 A T H X S+ 0 0 10 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.3 0.884 104.5 57.6 -65.8 -35.4 -2.2 23.4 10.5 264 382 A D H < S+ 0 0 19 -4,-1.9 4,-0.4 -5,-0.2 3,-0.3 0.856 104.9 49.6 -64.0 -35.1 0.7 25.9 10.7 265 383 A H H >< S+ 0 0 1 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.866 106.9 57.0 -69.9 -35.0 0.9 26.0 6.9 266 384 A M H 3< S+ 0 0 16 -4,-1.5 18,-0.5 1,-0.2 3,-0.3 0.670 91.0 70.3 -69.9 -21.0 -2.8 26.6 6.7 267 385 A V T 3< S+ 0 0 15 -4,-1.0 16,-0.8 -3,-0.3 2,-0.3 0.725 116.9 17.9 -69.4 -24.0 -2.7 29.8 8.9 268 386 A E E < S- D 0 282A 25 -3,-1.0 -1,-0.3 -4,-0.4 14,-0.2 -0.822 82.4-171.6-151.3 105.2 -0.9 31.7 6.1 269 387 A V E - D 0 281A 0 12,-1.6 12,-2.1 -3,-0.3 2,-0.6 -0.867 21.8-137.2-114.0 132.3 -1.1 30.2 2.6 270 388 A P E - D 0 280A 0 0, 0.0 -112,-2.5 0, 0.0 2,-0.4 -0.701 29.6-164.5 -80.5 120.5 0.7 31.2 -0.7 271 389 A V E -cD 158 279A 0 8,-3.1 8,-1.8 -2,-0.6 2,-0.5 -0.896 11.9-163.4-111.4 141.5 -1.9 31.2 -3.5 272 390 A I E -cD 159 278A 0 -114,-2.7 -112,-2.0 -2,-0.4 6,-0.2 -0.960 17.4-137.5-126.0 113.2 -1.2 31.1 -7.2 273 391 A T E > -c 160 0A 0 4,-3.2 3,-2.9 -2,-0.5 -112,-0.2 -0.342 28.4-109.2 -66.9 146.0 -4.1 32.0 -9.5 274 392 A A T 3 S+ 0 0 45 -114,-2.9 -1,-0.1 1,-0.3 -113,-0.1 0.716 122.9 56.2 -48.1 -23.4 -4.4 29.9 -12.7 275 393 A D T 3 S- 0 0 27 -115,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.044 126.0-102.4 -99.3 25.7 -3.3 32.9 -14.6 276 394 A G S < S+ 0 0 0 -3,-2.9 -246,-1.5 1,-0.2 -2,-0.1 0.286 72.9 143.0 77.3 -10.4 -0.1 33.1 -12.5 277 395 A E E -A 29 0A 0 -248,-0.2 -4,-3.2 -5,-0.1 2,-0.5 -0.389 38.1-147.1 -64.8 141.2 -1.0 36.0 -10.2 278 396 A V E +AD 28 272A 0 -250,-1.1 -250,-0.9 -6,-0.2 2,-0.3 -0.938 24.1 162.9-122.0 122.3 0.3 35.4 -6.6 279 397 A Y E - 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0 0 27 -6,-0.3 2,-0.4 -5,-0.1 -1,-0.3 -0.413 57.6-108.3 -64.1 138.4 -29.2 27.0 28.2 315 433 A P > - 0 0 80 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.554 14.4-151.3 -69.1 122.9 -25.9 25.9 29.8 316 434 A Y T 3 S+ 0 0 30 -2,-0.4 3,-0.2 1,-0.3 -222,-0.1 0.582 91.6 89.6 -67.6 -2.0 -23.6 24.7 27.0 317 435 A K T 3 S- 0 0 118 1,-0.2 -1,-0.3 -223,-0.0 2,-0.0 0.954 114.9 -29.2 -55.3 -46.9 -22.6 22.8 30.0 318 436 A S < + 0 0 87 -3,-1.7 2,-1.0 3,-0.0 -1,-0.2 -0.341 52.6 170.0-177.2 86.3 -25.2 20.3 28.8 319 437 A F - 0 0 30 1,-0.3 3,-0.1 -3,-0.2 4,-0.0 -0.928 36.4-157.9 -88.2 115.3 -28.3 20.7 26.8 320 438 A N - 0 0 110 -2,-1.0 -1,-0.3 1,-0.2 2,-0.3 0.895 38.2 -76.4 -61.0 -90.8 -28.4 17.0 26.5 321 438BA N S S+ 0 0 61 -3,-0.1 -1,-0.2 2,-0.1 4,-0.1 -0.945 111.3 62.4-163.7 165.7 -30.6 16.5 23.5 322 439 A R S S+ 0 0 144 -2,-0.3 3,-0.1 2,-0.3 16,-0.1 0.579 98.5 77.2 78.9 7.4 -34.3 16.8 22.7 323 440 A V S S- 0 0 26 1,-0.4 15,-0.6 14,-0.1 2,-0.3 0.595 117.8 -11.9-109.7 -38.3 -33.6 20.3 23.8 324 441 A A E - I 0 337C 2 13,-0.2 2,-0.5 2,-0.0 -1,-0.4 -0.923 60.4-158.5-164.4 134.0 -32.0 21.0 20.4 325 442 A R E - 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0 0 61 -453,-0.5 3,-1.7 -2,-0.3 4,-0.4 -0.538 36.2-103.2 -90.9 159.6 -45.5 20.4 -22.9 503 625 A K T 3 S+ 0 0 213 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.284 123.6 45.3 -67.1 16.6 -49.0 20.1 -21.6 504 626 A H T 3> S+ 0 0 126 -455,-0.1 4,-3.0 -456,-0.1 3,-0.3 0.429 77.6 99.4-135.1 -6.6 -48.8 16.5 -22.8 505 627 A T H <> S+ 0 0 1 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 0.843 84.1 54.3 -51.7 -39.6 -45.4 15.3 -21.6 506 628 A S H > S+ 0 0 59 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.925 113.8 39.4 -64.5 -45.2 -47.0 13.6 -18.7 507 629 A K H > S+ 0 0 131 -3,-0.3 4,-2.8 2,-0.2 3,-0.3 0.936 114.6 52.9 -70.6 -46.9 -49.4 11.5 -20.8 508 630 A R H X S+ 0 0 90 -4,-3.0 4,-1.9 1,-0.2 5,-0.2 0.944 107.6 51.1 -51.4 -54.3 -46.9 10.8 -23.6 509 631 A I H X S+ 0 0 2 -4,-2.2 4,-1.1 -461,-0.3 -1,-0.2 0.839 111.9 49.4 -54.7 -35.3 -44.4 9.4 -21.1 510 632 A I H >X S+ 0 0 29 -4,-1.1 4,-2.7 -3,-0.3 3,-0.7 0.952 107.4 51.1 -71.4 -50.2 -47.1 7.2 -19.7 511 633 A Q H 3X S+ 0 0 95 -4,-2.8 4,-1.8 1,-0.3 -2,-0.2 0.798 105.9 58.2 -58.8 -27.0 -48.3 5.8 -23.0 512 634 A D H 3X S+ 0 0 39 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.3 0.895 111.3 42.3 -67.9 -37.9 -44.7 5.0 -23.8 513 635 A C H < S+ 0 0 60 -4,-1.1 3,-0.5 -3,-0.2 -2,-0.2 0.917 119.7 42.6 -67.7 -44.6 -44.1 -1.6 -23.3 517 639 A G H 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.704 96.4 76.1 -76.3 -21.0 -45.9 -3.2 -20.4 518 640 A K H 3< S+ 0 0 113 -4,-2.6 -1,-0.2 -5,-0.2 2,-0.2 0.829 79.8 83.8 -59.8 -33.5 -49.1 -4.1 -22.3 519 641 A E S << S- 0 0 119 -4,-0.6 4,-0.2 -3,-0.5 16,-0.0 -0.512 96.1-100.3 -71.9 138.1 -47.2 -7.0 -23.9 520 642 A E S S+ 0 0 136 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.156 79.6 63.3 -59.8 152.5 -47.2 -10.2 -21.8 521 643 A G S S- 0 0 38 17,-0.1 2,-0.3 -3,-0.1 17,-0.2 -0.950 96.3 -54.0 135.2-154.6 -44.2 -11.1 -19.7 522 644 A N + 0 0 58 -2,-0.3 2,-0.4 17,-0.1 17,-0.1 -0.697 61.0 176.5-126.8 75.3 -42.3 -9.5 -16.8 523 645 A W > - 0 0 102 -2,-0.3 3,-2.2 -4,-0.2 -2,-0.1 -0.676 34.3-130.5 -90.1 135.6 -41.4 -6.0 -17.9 524 646 A L G > S+ 0 0 22 -2,-0.4 3,-1.4 1,-0.3 4,-0.2 0.749 101.0 67.0 -51.1 -32.0 -39.6 -3.5 -15.7 525 647 A V G > S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.674 84.4 72.8 -70.3 -12.3 -42.0 -0.7 -16.3 526 648 A N G < S+ 0 0 2 -3,-2.2 13,-0.8 1,-0.2 -1,-0.3 0.316 76.7 80.5 -82.3 11.5 -44.8 -2.5 -14.5 527 649 A A G < S+ 0 0 3 -3,-1.4 2,-0.7 11,-0.2 -1,-0.2 0.717 71.8 88.7 -84.5 -23.6 -43.0 -1.8 -11.2 528 650 A D S <> S- 0 0 0 -3,-1.1 4,-2.3 -4,-0.2 5,-0.3 -0.677 83.5-137.8 -75.9 112.0 -44.6 1.7 -11.4 529 651 A R H > S+ 0 0 97 -2,-0.7 4,-1.1 -52,-0.5 -1,-0.2 0.808 98.6 49.4 -41.7 -42.9 -48.0 1.2 -9.6 530 652 A L H >> S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 3,-0.7 0.968 111.0 45.1 -65.4 -56.4 -49.8 3.4 -12.2 531 653 A I H 3> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 6,-0.2 0.884 111.2 55.8 -54.8 -40.9 -48.5 1.7 -15.4 532 654 A S H 3X S+ 0 0 14 -4,-2.3 4,-2.1 1,-0.2 5,-0.4 0.818 106.2 50.9 -61.9 -32.9 -49.1 -1.7 -13.8 533 655 A S H << S+ 0 0 91 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.879 111.6 47.0 -72.5 -37.5 -52.8 -0.8 -13.2 534 656 A K H < S+ 0 0 136 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.667 120.1 38.9 -77.1 -19.0 -53.2 0.4 -16.8 535 657 A T H < S- 0 0 19 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.710 94.3-137.7-101.6 -27.6 -51.6 -2.8 -18.2 536 658 A G < + 0 0 58 -4,-2.1 2,-0.4 1,-0.3 -3,-0.1 0.570 68.7 114.5 79.4 7.1 -53.0 -5.3 -15.8 537 659 A H - 0 0 33 -5,-0.4 -1,-0.3 -6,-0.2 2,-0.3 -0.878 53.6-150.0-113.9 145.1 -49.5 -6.8 -15.6 538 660 A L - 0 0 117 -2,-0.4 2,-0.8 -17,-0.2 -11,-0.2 -0.795 14.3-127.5-112.2 154.3 -47.2 -7.0 -12.7 539 661 A Y - 0 0 36 -13,-0.8 -61,-0.1 -2,-0.3 -17,-0.1 -0.855 18.3-161.5-104.3 104.0 -43.4 -7.0 -12.5 540 662 A I - 0 0 105 -2,-0.8 2,-0.1 1,-0.0 -13,-0.0 -0.748 17.5-160.7 -84.7 110.8 -42.2 -10.0 -10.4 541 663 A P - 0 0 41 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.460 4.5-153.7 -89.3 164.1 -38.6 -9.1 -9.4 542 664 A D - 0 0 97 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.195 48.6 -27.4-114.6-152.6 -35.8 -11.4 -8.2 543 665 A K + 0 0 141 -2,-0.1 -79,-3.3 -76,-0.1 -1,-0.3 -0.272 66.2 160.4 -62.6 147.0 -32.7 -11.0 -6.1 544 666 A G E -N 463 0G 8 -77,-0.3 2,-0.3 -81,-0.3 -81,-0.2 -0.850 18.1-168.9-173.2 134.6 -31.1 -7.5 -6.1 545 667 A Y E -N 462 0G 135 -83,-2.1 -83,-1.9 -2,-0.3 2,-0.5 -0.926 18.9-130.0-130.4 153.4 -28.7 -5.5 -4.0 546 668 A T E +N 461 0G 25 -2,-0.3 2,-0.3 -78,-0.2 -85,-0.2 -0.902 29.7 174.2-106.7 127.3 -27.6 -1.9 -3.8 547 669 A L E -N 460 0G 54 -87,-2.8 -87,-2.1 -2,-0.5 2,-0.3 -0.857 30.4-107.3-127.4 162.5 -23.9 -1.0 -3.7 548 670 A Q E -N 459 0G 135 -2,-0.3 -89,-0.3 -89,-0.2 -90,-0.1 -0.671 29.3-175.1 -91.9 146.0 -21.9 2.2 -3.9 549 671 A G 0 0 20 -91,-1.9 -91,-0.2 -92,-0.4 -93,-0.2 0.651 360.0 360.0-101.4-104.8 -19.9 3.2 -6.9 550 672 A K 0 0 156 -93,-1.9 -434,-0.1 -91,-0.1 -94,-0.1 0.475 360.0 360.0 12.7 360.0 -17.6 6.3 -7.1