==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 23-JAN-06 2FSY . COMPND 2 MOLECULE: MAJOR CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE HK97; . AUTHOR L.GAN,J.A.SPEIR,J.F.CONWAY,G.LANDER,N.CHENG,B.A.FIREK, . 1899 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 89078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1333 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 125 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 371 19.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 . 200 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 211 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.1 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 19 0 5 0 7 0 0 0 1 6 0 0 0 0 0 0 0 0 0 3 3 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 7 8 11 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 . 12 9 16 4 8 5 0 0 6 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 10 0 13 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 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 1 104 A S 0 0 147 0, 0.0 2,-0.2 0, 0.0 624,-0.0 0.000 360.0 360.0 360.0 113.7 115.0 131.2 220.7 2 105 A L + 0 0 140 6,-0.1 623,-0.1 7,-0.0 6,-0.0 -0.628 360.0 165.0-150.3 83.2 111.3 130.8 219.8 3 106 A G - 0 0 4 -2,-0.2 6,-0.9 621,-0.1 622,-0.0 0.046 46.8-109.9 -88.6-164.1 109.3 129.0 222.4 4 107 A S S S+ 0 0 42 4,-0.1 9,-0.1 5,-0.1 -1,-0.0 0.308 79.3 105.8-110.6 1.6 105.6 128.5 223.3 5 108 A D S >S- 0 0 78 1,-0.1 5,-1.5 5,-0.1 6,-0.3 -0.115 89.8 -91.6 -74.9 178.5 105.6 130.5 226.5 6 109 A A T 5S+ 0 0 92 1,-0.2 5,-0.2 4,-0.1 -1,-0.1 0.913 124.1 56.0 -57.4 -47.3 104.0 134.0 226.9 7 110 A D T 5S+ 0 0 155 2,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.869 115.8 36.2 -54.0 -42.0 107.2 135.8 226.0 8 111 A S T > 5S- 0 0 35 -3,-0.2 3,-0.6 1,-0.0 2,-0.1 0.169 118.4 -55.1 -93.1-150.1 107.5 134.0 222.7 9 112 A A G > 5S+ 0 0 37 -6,-0.9 3,-1.1 1,-0.2 4,-0.2 -0.042 88.4 116.2 -85.7 32.1 105.0 132.7 220.1 10 113 A G G > < + 0 0 16 -5,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.683 60.5 78.1 -72.8 -15.2 102.9 130.6 222.4 11 114 A S G < S+ 0 0 107 -3,-0.6 -1,-0.2 -6,-0.3 -2,-0.1 0.746 82.7 65.3 -63.1 -26.6 100.0 133.0 221.6 12 115 A L G < S+ 0 0 151 -3,-1.1 2,-0.6 2,-0.0 -1,-0.3 0.729 87.2 80.6 -69.5 -24.8 99.5 131.1 218.3 13 116 A I < - 0 0 63 -3,-1.2 310,-0.1 -4,-0.2 -1,-0.0 -0.774 63.3-164.9 -92.2 121.0 98.5 127.9 220.0 14 117 A Q - 0 0 147 -2,-0.6 311,-0.1 3,-0.0 3,-0.1 -0.922 25.6-117.7-107.6 117.5 94.9 127.6 221.2 15 118 A P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 311,-0.2 -0.120 34.4-102.8 -51.0 143.4 94.2 124.8 223.7 16 119 A M E -a 326 0A 56 309,-2.3 311,-1.9 1,-0.1 2,-0.2 -0.580 34.5-127.9 -75.7 128.1 91.7 122.2 222.5 17 120 A Q E -a 327 0A 103 -2,-0.4 311,-0.2 309,-0.2 -1,-0.1 -0.540 9.7-136.7 -77.5 138.5 88.2 122.6 224.0 18 121 A I E - 0 0 31 309,-1.8 311,-0.4 -2,-0.2 2,-0.1 -0.844 23.8-131.0 -97.8 101.1 86.7 119.5 225.7 19 122 A P E S+ 0 0 127 0, 0.0 2,-0.1 0, 0.0 309,-0.0 -0.320 70.9 32.0 -54.3 118.3 83.0 119.5 224.5 20 123 A G E S- 0 0 59 -2,-0.1 309,-0.6 2,-0.0 2,-0.3 -0.432 77.8 -97.1 120.1 166.3 80.9 119.1 227.6 21 124 A I E -a 329 0A 62 -2,-0.1 2,-0.8 307,-0.1 309,-0.2 -0.895 29.1-120.6-122.6 151.8 80.7 119.9 231.3 22 125 A I E -a 330 0A 23 307,-1.8 309,-1.9 -2,-0.3 -2,-0.0 -0.824 24.0-164.4-101.2 107.1 81.6 117.8 234.3 23 126 A M - 0 0 71 -2,-0.8 3,-0.2 307,-0.1 307,-0.0 -0.660 20.7-122.4 -86.6 140.3 78.8 117.2 236.8 24 127 A P - 0 0 48 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.042 60.1 -41.8 -68.3-175.0 79.8 115.9 240.3 25 128 A G - 0 0 25 1,-0.1 2,-1.1 420,-0.1 422,-0.2 -0.337 59.3-146.4 -56.2 110.1 78.5 112.6 241.9 26 129 A L - 0 0 95 421,-0.4 -1,-0.1 -2,-0.3 420,-0.1 -0.714 17.7-136.5 -84.4 99.3 74.8 112.5 241.0 27 130 A R - 0 0 43 -2,-1.1 2,-0.6 1,-0.1 186,-0.0 -0.242 17.8-114.4 -57.3 138.2 73.2 110.7 244.0 28 131 A R - 0 0 198 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.667 32.4-130.3 -79.6 120.1 70.7 108.1 243.2 29 132 A L + 0 0 64 -2,-0.6 2,-0.2 1,-0.1 85,-0.1 -0.474 42.8 141.6 -74.2 139.5 67.2 109.2 244.4 30 133 A T + 0 0 19 -2,-0.2 2,-2.9 181,-0.0 -1,-0.1 -0.536 34.8 71.9-146.2-149.3 65.1 106.8 246.4 31 134 A I S >> S+ 0 0 2 1,-0.3 3,-1.4 -2,-0.2 4,-1.2 -0.320 101.1 56.4 62.9 -68.3 62.7 107.0 249.4 32 135 A R T 34 S+ 0 0 39 -2,-2.9 -1,-0.3 1,-0.3 200,-0.2 0.756 102.7 58.6 -63.5 -22.3 59.8 108.6 247.5 33 136 A D T 34 S+ 0 0 107 1,-0.2 -1,-0.3 3,-0.0 4,-0.1 0.704 102.6 53.9 -76.5 -21.3 60.1 105.7 245.1 34 137 A L T <4 S+ 0 0 37 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.763 102.0 73.5 -81.2 -29.3 59.4 103.4 248.1 35 138 A L S < S- 0 0 9 -4,-1.2 2,-0.3 1,-0.1 192,-0.2 -0.398 93.3 -96.7 -87.2 161.9 56.2 105.3 249.0 36 139 A A E -c 231 0B 34 194,-1.6 196,-3.6 190,-0.5 2,-0.4 -0.588 39.6-144.0 -76.7 136.3 52.8 105.3 247.3 37 140 A Q E +c 232 0B 110 -2,-0.3 2,-0.3 194,-0.2 196,-0.2 -0.874 25.2 164.2-109.4 136.9 52.4 108.2 245.0 38 141 A G E -c 233 0B 12 194,-2.0 196,-2.5 -2,-0.4 2,-0.3 -0.997 29.7-124.6-149.8 148.8 49.1 110.1 244.4 39 142 A R E +c 234 0B 141 -2,-0.3 2,-0.2 194,-0.2 196,-0.2 -0.720 30.6 172.4 -97.1 144.3 48.0 113.4 242.8 40 143 A T - 0 0 29 194,-1.8 5,-0.1 -2,-0.3 224,-0.0 -0.800 28.7-157.5-138.4 177.9 45.9 116.0 244.7 41 144 A S + 0 0 97 -2,-0.2 2,-0.3 3,-0.1 194,-0.1 0.076 59.1 98.9-150.2 27.7 44.5 119.5 244.2 42 145 A S S S- 0 0 34 2,-0.1 -2,-0.1 1,-0.1 3,-0.0 -0.765 75.2-120.0-118.3 163.6 43.9 120.9 247.7 43 146 A N S S- 0 0 72 -2,-0.3 37,-1.5 36,-0.0 2,-0.3 0.657 95.9 -7.4 -73.7 -17.2 45.7 123.1 250.2 44 147 A A E -E 79 0C 8 35,-0.2 2,-0.3 220,-0.0 35,-0.2 -0.913 67.9-118.1-161.0-176.3 45.8 120.2 252.7 45 148 A L E -E 78 0C 42 33,-1.2 33,-3.1 -2,-0.3 2,-0.6 -0.848 12.6-158.7-146.7 107.7 44.5 116.7 253.4 46 149 A E E +E 77 0C 94 -2,-0.3 2,-0.2 31,-0.2 31,-0.2 -0.737 32.0 153.2 -85.2 118.6 42.3 115.7 256.3 47 150 A Y - 0 0 25 29,-2.3 2,-0.3 -2,-0.6 29,-0.3 -0.753 32.5-130.2-134.5-178.0 42.6 112.0 256.9 48 151 A V - 0 0 68 -2,-0.2 2,-0.4 27,-0.2 27,-0.2 -0.994 10.6-163.5-140.9 146.6 42.2 109.4 259.7 49 152 A R E -F 74 0D 21 25,-2.0 25,-1.4 -2,-0.3 220,-0.1 -0.991 34.2-104.4-136.9 127.5 44.3 106.5 261.0 50 153 A E E +F 73 0D 49 -2,-0.4 23,-0.3 23,-0.2 3,-0.1 -0.249 41.6 172.2 -49.5 113.9 43.3 103.7 263.3 51 154 A E E + 0 0 103 21,-1.0 2,-0.4 1,-0.3 22,-0.2 0.918 63.7 8.8 -91.0 -60.5 44.7 104.5 266.7 52 155 A V E -F 72 0D 81 20,-3.4 20,-3.2 2,-0.0 2,-0.8 -0.970 56.6-164.7-132.9 120.5 43.3 101.9 269.1 53 156 A F E -F 71 0D 39 -2,-0.4 2,-1.2 18,-0.2 18,-0.2 -0.878 8.8-162.2-103.0 103.6 41.3 98.8 268.1 54 157 A T - 0 0 57 16,-2.1 2,-0.6 -2,-0.8 16,-0.5 -0.747 12.2-161.7 -88.2 94.6 39.6 97.4 271.2 55 158 A N + 0 0 55 -2,-1.2 13,-0.1 14,-0.1 14,-0.1 -0.714 26.1 160.4 -83.0 117.8 38.8 93.9 270.1 56 159 A N + 0 0 77 -2,-0.6 -1,-0.1 11,-0.1 1409,-0.1 0.264 21.9 141.1-118.2 8.6 36.1 92.3 272.3 57 160 A A + 0 0 4 1407,-0.1 2,-0.3 1409,-0.1 1409,-0.2 -0.290 26.5 148.1 -54.5 130.4 35.0 89.5 269.9 58 161 A D E -G 1465 0E 58 1407,-1.2 1407,-1.5 9,-0.1 2,-0.3 -0.943 53.5 -64.1-157.2 172.8 34.4 86.4 271.9 59 162 A V E -G 1464 0E 12 -2,-0.3 2,-0.5 1405,-0.2 1405,-0.3 -0.526 52.0-150.7 -68.3 126.6 32.2 83.2 272.1 60 163 A V E -G 1463 0E 14 1403,-2.9 1403,-0.7 -2,-0.3 6,-0.1 -0.875 6.5-131.7-107.0 132.1 28.6 84.2 272.6 61 164 A A > - 0 0 33 -2,-0.5 3,-1.5 4,-0.2 2,-0.1 -0.348 40.9 -86.2 -72.8 158.7 26.1 82.0 274.4 62 165 A E T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.407 113.1 8.7 -68.5 142.3 22.7 81.4 272.7 63 166 A K T 3 S+ 0 0 127 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.611 108.4 127.0 63.1 12.1 20.0 84.0 273.4 64 167 A A < - 0 0 47 -3,-1.5 2,-0.4 1,-0.1 -1,-0.2 -0.451 68.5 -93.7 -97.0 170.6 22.8 86.1 275.0 65 168 A L - 0 0 146 -2,-0.1 -4,-0.2 -3,-0.1 -1,-0.1 -0.715 40.8-125.8 -87.4 129.2 24.0 89.6 274.4 66 169 A K - 0 0 74 -2,-0.4 2,-0.2 1,-0.1 1400,-0.1 -0.238 29.2 -96.8 -70.9 157.9 26.9 90.0 271.9 67 170 A P - 0 0 30 0, 0.0 1400,-2.0 0, 0.0 2,-0.6 -0.563 29.6-137.1 -78.4 139.5 30.2 91.8 272.8 68 171 A E B +h 1467 0E 98 -2,-0.2 2,-0.4 1398,-0.2 1400,-0.2 -0.873 25.6 177.0-100.1 120.3 30.6 95.5 271.8 69 172 A S - 0 0 0 1398,-1.9 2,-0.3 -2,-0.6 -14,-0.1 -0.981 8.4-162.6-124.2 134.1 34.0 96.3 270.4 70 173 A D - 0 0 72 -16,-0.5 -16,-2.1 -2,-0.4 2,-0.6 -0.855 14.3-140.5-119.4 155.4 35.0 99.8 269.1 71 174 A I E -F 53 0D 22 -2,-0.3 2,-0.7 -18,-0.2 -18,-0.2 -0.956 16.5-162.7-115.3 115.2 37.7 101.2 266.9 72 175 A T E +F 52 0D 72 -20,-3.2 -20,-3.4 -2,-0.6 -21,-1.0 -0.870 13.3 175.1-103.4 110.2 39.1 104.5 267.9 73 176 A F E -F 50 0D 67 -2,-0.7 2,-0.3 -23,-0.3 -23,-0.2 -0.902 24.8-129.6-115.0 144.8 41.1 106.4 265.3 74 177 A S E -F 49 0D 54 -25,-1.4 -25,-2.0 -2,-0.4 2,-1.0 -0.634 20.1-123.3 -89.3 148.3 42.6 109.9 265.5 75 178 A K - 0 0 123 -2,-0.3 2,-0.2 -27,-0.2 -27,-0.2 -0.779 36.0-178.7 -96.0 94.3 41.9 112.5 262.9 76 179 A Q - 0 0 65 -2,-1.0 -29,-2.3 -29,-0.3 2,-0.4 -0.643 14.8-144.7 -91.8 151.6 45.3 113.6 261.6 77 180 A T E -E 46 0C 51 -2,-0.2 2,-0.8 -31,-0.2 -31,-0.2 -0.972 1.4-152.7-122.8 128.8 45.8 116.3 258.9 78 181 A A E -E 45 0C 6 -33,-3.1 -33,-1.2 -2,-0.4 2,-0.1 -0.859 18.7-151.7-101.8 103.8 48.5 116.3 256.3 79 182 A N E -E 44 0C 82 -2,-0.8 2,-0.8 -35,-0.2 186,-0.5 -0.386 17.7-117.2 -73.7 149.9 49.3 119.9 255.2 80 183 A V - 0 0 11 -37,-1.5 184,-0.2 184,-0.1 2,-0.2 -0.805 36.8-168.3 -91.4 106.8 50.6 120.7 251.7 81 184 A K E -K 263 0F 43 182,-0.9 182,-2.7 -2,-0.8 2,-0.4 -0.640 12.1-135.0 -95.7 155.5 54.1 122.2 252.1 82 185 A T E -KL 262 341F 30 259,-0.6 259,-3.0 -2,-0.2 2,-0.4 -0.931 15.0-169.9-115.8 132.2 56.1 123.9 249.4 83 186 A I E +KL 261 340F 1 178,-2.6 178,-1.1 -2,-0.4 2,-0.3 -0.968 28.0 123.1-119.4 135.5 59.8 123.4 248.7 84 187 A A E -KL 260 339F 0 255,-1.6 255,-1.2 -2,-0.4 2,-0.3 -0.987 29.7-166.0-174.7 174.2 61.8 125.6 246.3 85 188 A H E -K 259 0F 0 174,-1.4 174,-2.2 -2,-0.3 2,-0.3 -0.950 13.8-144.1-167.7 160.5 64.7 127.9 245.6 86 189 A W E -Km 258 349F 21 262,-2.0 264,-2.3 -2,-0.3 2,-0.4 -0.908 3.7-143.6-135.3 162.3 65.8 130.4 243.0 87 190 A V E -K 257 0F 13 170,-2.2 170,-2.6 -2,-0.3 2,-0.8 -0.995 7.0-151.2-131.1 128.2 68.9 131.6 241.2 88 191 A Q E +K 256 0F 55 -2,-0.4 2,-0.3 262,-0.4 168,-0.2 -0.871 29.7 175.5 -99.8 103.6 69.6 135.1 240.1 89 192 A A E -K 255 0F 20 166,-2.5 166,-2.5 -2,-0.8 2,-0.2 -0.732 34.0-100.1-110.3 160.2 71.9 134.9 237.1 90 193 A S E > -K 254 0F 37 -2,-0.3 4,-1.6 164,-0.2 164,-0.2 -0.566 19.2-142.4 -78.2 138.5 73.4 137.5 234.7 91 194 A R H > S+ 0 0 70 162,-2.4 4,-1.5 -2,-0.2 5,-0.2 0.784 101.0 61.3 -70.0 -28.7 71.6 137.9 231.3 92 195 A Q H > S+ 0 0 100 161,-0.4 4,-2.1 1,-0.2 3,-0.3 0.944 105.8 46.8 -61.7 -47.2 75.0 138.4 229.6 93 196 A V H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.890 108.5 55.3 -61.3 -44.5 76.1 134.9 230.7 94 197 A M H < S+ 0 0 17 -4,-1.6 7,-0.3 1,-0.2 6,-0.2 0.808 112.5 41.5 -61.2 -34.7 72.8 133.3 229.6 95 198 A D H < S+ 0 0 113 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.851 115.8 48.5 -82.1 -36.9 73.1 134.6 226.1 96 199 A D H < S+ 0 0 133 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.849 114.8 47.6 -70.7 -36.0 76.8 133.9 225.7 97 200 A A S >< S- 0 0 28 -4,-2.5 3,-1.1 -5,-0.2 4,-0.4 -0.839 75.0-174.0-110.4 92.4 76.4 130.4 227.1 98 201 A P T > S+ 0 0 100 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.943 80.0 37.6 -46.8 -74.6 73.4 128.8 225.1 99 202 A M T 3> S+ 0 0 120 1,-0.2 4,-1.2 2,-0.1 5,-0.1 0.315 90.5 99.5 -68.3 8.9 72.9 125.5 226.8 100 203 A L H X> S+ 0 0 29 -3,-1.1 4,-2.4 -6,-0.2 3,-0.5 0.935 80.7 48.9 -61.6 -48.9 73.7 127.0 230.2 101 204 A Q H <> S+ 0 0 71 -3,-0.9 4,-2.7 -4,-0.4 -1,-0.2 0.938 106.1 56.8 -56.4 -49.2 70.0 127.4 231.2 102 205 A S H 3> S+ 0 0 68 -4,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.814 110.3 47.2 -51.6 -33.6 69.3 123.8 230.2 103 206 A Y H X S+ 0 0 37 -4,-2.7 4,-2.4 1,-0.2 3,-0.6 0.986 110.6 42.5 -58.8 -62.1 67.3 123.5 235.2 106 209 A N H 3< S+ 0 0 124 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.584 116.5 54.3 -61.5 -9.5 68.4 119.8 235.4 107 210 A R H 3X S+ 0 0 8 -4,-0.9 4,-2.0 -3,-0.3 -1,-0.2 0.798 108.7 43.1 -93.4 -37.1 70.7 121.0 238.2 108 211 A L H S+ 0 0 29 -4,-0.3 4,-2.2 -5,-0.3 -2,-0.2 0.967 110.6 49.2 -68.3 -55.5 68.2 117.7 241.5 111 214 A G H X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.798 114.4 49.4 -54.6 -30.0 69.0 120.1 244.4 112 215 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 3,-0.3 0.983 110.8 44.7 -72.3 -61.8 65.2 120.2 245.0 113 216 A A H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.741 111.0 59.6 -55.0 -25.3 64.5 116.5 244.9 114 217 A L H X S+ 0 0 38 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.952 108.9 39.1 -70.0 -52.1 67.6 116.1 247.1 115 218 A K H < S+ 0 0 58 -4,-1.5 4,-0.4 -3,-0.3 -1,-0.2 0.557 113.8 59.8 -74.0 -8.4 66.3 118.3 250.0 116 219 A E H >X S+ 0 0 5 -4,-1.1 4,-2.2 2,-0.2 3,-1.2 0.909 104.5 46.3 -79.9 -50.6 62.9 116.7 249.3 117 220 A E H 3X S+ 0 0 2 -4,-2.3 4,-1.3 1,-0.3 5,-0.2 0.857 107.9 60.0 -58.6 -35.0 64.2 113.3 250.1 118 221 A G H 3X S+ 0 0 23 -4,-1.7 4,-1.6 2,-0.2 -1,-0.3 0.756 108.7 43.4 -65.2 -26.5 65.8 114.9 253.1 119 222 A Q H <> S+ 0 0 7 -3,-1.2 4,-1.2 -4,-0.4 -2,-0.2 0.943 106.8 55.5 -82.0 -56.9 62.4 115.9 254.4 120 223 A L H < S+ 0 0 1 -4,-2.2 13,-2.8 1,-0.2 -2,-0.2 0.760 119.6 37.1 -47.5 -28.9 60.4 112.7 253.7 121 224 A L H < S+ 0 0 1 -4,-1.3 13,-2.4 11,-0.2 14,-0.3 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D S E -L 892 0R 25 -25,-0.9 -25,-1.5 -2,-0.3 2,-0.7 -0.974 21.4-127.2-162.3 145.3 123.1 36.8 244.1 918 178 D K E -L 891 0R 108 -2,-0.3 2,-0.5 -27,-0.2 -27,-0.2 -0.869 28.4-162.7 -98.2 110.0 121.2 33.6 243.6 919 179 D Q E -L 890 0R 62 -29,-2.2 -29,-1.8 -2,-0.7 2,-0.3 -0.824 5.8-149.1 -97.2 131.8 118.1 33.6 245.7 920 180 D T E -L 889 0R 73 -2,-0.5 2,-0.3 -31,-0.2 -31,-0.2 -0.737 12.1-170.3-101.7 148.6 116.3 30.3 246.4 921 181 D A E -L 888 0R 9 -33,-1.8 -33,-1.2 -2,-0.3 2,-0.1 -0.854 15.0-154.8-139.9 97.9 112.6 29.7 246.9 922 182 D N E -L 887 0R 84 -2,-0.3 186,-0.4 -35,-0.2 2,-0.4 -0.384 14.5-123.4 -74.6 150.7 111.6 26.2 248.1 923 183 D V - 0 0 14 -37,-1.7 184,-0.3 184,-0.2 2,-0.2 -0.764 28.7-164.3 -94.7 137.1 108.3 24.6 247.5 924 184 D K E -B 1106 0Y 48 182,-3.2 182,-1.5 -2,-0.4 2,-0.4 -0.719 12.4-126.5-116.9 170.6 106.3 23.4 250.5 925 185 D T E -B 1105 0Y 29 259,-0.4 259,-2.3 -2,-0.2 2,-0.4 -0.972 16.5-170.4-125.5 132.0 103.3 21.1 251.0 926 186 D I E +BC11041183Y 2 178,-2.4 178,-1.5 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6.4-153.6-134.1 156.8 87.4 16.6 262.2 1195 174 E I E -Z 1177 0X 25 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.983 6.6-159.5-132.0 143.7 83.8 18.0 261.6 1196 175 E T E - 0 0 59 -20,-1.2 -21,-2.8 -2,-0.4 2,-0.2 -0.934 8.6-173.5-124.9 146.3 80.8 18.1 263.9 1197 176 E F E -Z 1174 0X 78 -2,-0.3 2,-0.3 -23,-0.3 -23,-0.2 -0.748 4.0-163.0-129.0 177.3 77.1 18.5 263.2 1198 177 E S E -Z 1173 0X 24 -25,-0.9 -25,-1.5 -2,-0.2 2,-0.8 -0.981 22.3-126.7-162.6 150.4 73.8 18.9 265.0 1199 178 E K E -Z 1172 0X 130 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.892 29.9-166.0-104.5 103.6 70.0 18.7 264.4 1200 179 E Q E -Z 1171 0X 65 -29,-2.2 -29,-2.0 -2,-0.8 2,-0.4 -0.752 6.9-148.5 -92.0 138.9 68.4 21.9 265.5 1201 180 E T E -Z 1170 0X 72 -2,-0.4 2,-0.5 -31,-0.2 -31,-0.2 -0.860 12.4-165.9-113.1 143.7 64.6 22.0 265.9 1202 181 E A E -Z 1169 0X 8 -33,-2.0 -33,-1.7 -2,-0.4 2,-0.1 -0.938 18.8-150.1-127.9 104.9 62.1 24.8 265.4 1203 182 E N E -Z 1168 0X 84 -2,-0.5 2,-0.6 -35,-0.2 186,-0.4 -0.370 14.3-120.4 -76.4 153.2 58.6 24.1 266.9 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45.8 260.0 1223 202 E M H 3> S+ 0 0 116 1,-0.2 4,-1.0 2,-0.1 -5,-0.1 0.688 90.4 71.8 -61.1 -20.4 29.7 47.7 259.8 1224 203 E L H <> S+ 0 0 23 -3,-2.0 4,-3.0 -6,-0.2 5,-0.3 0.912 86.2 59.6 -64.1 -49.6 30.9 46.1 263.0 1225 204 E Q H <> S+ 0 0 58 -3,-0.6 4,-1.8 -4,-0.5 -1,-0.2 0.942 110.4 40.5 -44.2 -64.8 31.5 42.6 261.8 1226 205 E S H X S+ 0 0 69 -4,-0.6 4,-1.7 1,-0.2 -1,-0.3 0.760 115.6 55.2 -58.1 -28.1 34.1 43.6 259.2 1227 206 E Y H X S+ 0 0 18 -4,-1.0 4,-1.8 -3,-0.3 -2,-0.2 0.961 104.0 50.0 -70.4 -54.5 35.6 46.1 261.7 1228 207 E I H X S+ 0 0 9 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.869 109.3 55.3 -52.0 -39.9 36.2 43.6 264.5 1229 208 E N H X S+ 0 0 42 -4,-1.8 4,-1.8 -5,-0.3 3,-0.2 0.975 107.0 47.3 -58.0 -57.4 37.9 41.4 262.0 1230 209 E N H X S+ 0 0 100 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.774 114.6 49.2 -55.5 -30.5 40.4 44.1 260.9 1231 210 E R H X S+ 0 0 12 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.869 107.3 51.4 -78.7 -40.0 41.0 44.9 264.6 1232 211 E L H X S+ 0 0 0 -4,-2.5 4,-2.0 -3,-0.2 -2,-0.2 0.793 110.7 51.5 -67.3 -28.4 41.7 41.3 265.7 1233 212 E M H X S+ 0 0 62 -4,-1.8 4,-3.5 2,-0.2 5,-0.3 0.968 111.8 43.4 -71.4 -55.8 44.2 40.9 262.9 1234 213 E Y H X S+ 0 0 36 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.847 115.4 52.2 -57.7 -35.3 46.1 44.0 263.8 1235 214 E G H X S+ 0 0 2 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.906 114.6 40.9 -67.5 -42.3 45.9 42.9 267.4 1236 215 E L H X S+ 0 0 1 -4,-2.0 4,-1.5 2,-0.2 3,-0.5 0.968 114.5 49.5 -69.0 -56.0 47.2 39.5 266.6 1237 216 E A H X S+ 0 0 15 -4,-3.5 4,-2.4 1,-0.3 -1,-0.2 0.783 107.4 59.1 -54.4 -29.5 50.0 40.6 264.2 1238 217 E L H X S+ 0 0 42 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.3 0.934 109.6 39.9 -66.4 -47.9 51.0 43.1 266.9 1239 218 E K H < S+ 0 0 55 -4,-1.4 4,-0.3 -3,-0.5 -1,-0.2 0.643 111.4 61.7 -75.1 -15.0 51.7 40.4 269.4 1240 219 E E H >X S+ 0 0 5 -4,-1.5 4,-2.3 2,-0.2 3,-1.5 0.953 107.0 41.8 -71.9 -51.9 53.2 38.4 266.6 1241 220 E E H 3X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.3 5,-0.3 0.884 109.0 61.7 -61.0 -37.6 55.8 41.0 266.0 1242 221 E G H 3X S+ 0 0 25 -4,-1.8 4,-0.6 1,-0.2 -1,-0.3 0.653 109.6 41.7 -63.4 -17.1 56.1 41.2 269.8 1243 222 E Q H <> S+ 0 0 6 -3,-1.5 4,-1.6 -4,-0.3 -2,-0.2 0.874 107.1 56.8 -93.1 -53.9 57.2 37.6 269.7 1244 223 E L H < S+ 0 0 1 -4,-2.3 13,-2.9 2,-0.2 -2,-0.2 0.823 118.5 35.4 -47.7 -37.7 59.5 37.5 266.7 1245 224 E L H < S+ 0 0 1 -4,-1.9 13,-2.5 11,-0.2 14,-0.4 0.965 135.6 16.9 -83.5 -61.3 61.6 40.2 268.4 1246 225 E N H < S+ 0 0 66 -4,-0.6 -2,-0.2 -5,-0.3 2,-0.2 -0.140 79.6 164.3-108.2 38.9 61.5 39.5 272.1 1247 226 E G < - 0 0 2 -4,-1.6 9,-0.8 1,-0.1 12,-0.3 -0.375 33.6-144.8 -60.6 122.5 60.3 35.9 272.1 1248 227 E D B -U 1255 0g 94 -2,-0.2 -1,-0.1 7,-0.2 7,-0.1 0.918 16.0-149.0 -53.7 -50.4 61.0 34.4 275.5 1249 228 E G + 0 0 31 5,-0.8 6,-0.2 1,-0.4 -1,-0.1 -0.038 62.3 102.3 101.7 -31.2 61.8 31.0 274.1 1250 229 E T S > S- 0 0 90 4,-0.2 3,-1.6 2,-0.1 -1,-0.4 -0.418 84.5 -7.9 -83.0 162.1 60.5 29.2 277.1 1251 230 E G T 3 S- 0 0 54 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.333 132.1 -25.3 57.8-121.6 57.1 27.4 277.3 1252 231 E D T 3 S+ 0 0 68 -2,-0.1 -1,-0.3 188,-0.1 189,-0.1 0.507 108.4 111.2-101.8 -9.6 55.0 28.2 274.2 1253 232 E N S < S- 0 0 40 -3,-1.6 2,-0.1 187,-0.1 -6,-0.0 -0.294 72.2-111.2 -65.2 150.5 56.7 31.5 273.4 1254 233 E L - 0 0 10 1,-0.1 2,-1.4 -6,-0.1 -5,-0.8 -0.331 30.0-103.0 -77.4 163.6 58.9 31.6 270.3 1255 234 E E B -U 1248 0g 108 134,-0.2 -7,-0.2 -6,-0.2 -1,-0.1 -0.734 50.1-150.9 -89.8 87.4 62.7 32.0 270.4 1256 235 E G >> - 0 0 0 -2,-1.4 4,-1.1 -9,-0.8 3,-1.0 -0.185 22.3-106.4 -60.7 154.2 62.8 35.6 269.5 1257 236 E L H >> S+ 0 0 3 -13,-2.9 4,-3.7 1,-0.3 3,-0.9 0.864 117.2 54.6 -45.4 -50.0 65.7 37.3 267.7 1258 237 E N H 34 S+ 0 0 6 -13,-2.5 -1,-0.3 1,-0.3 -12,-0.1 0.818 107.2 48.9 -58.7 -36.1 66.9 39.1 270.8 1259 238 E K H <4 S+ 0 0 149 -3,-1.0 -1,-0.3 -14,-0.4 -2,-0.2 0.667 119.9 39.7 -78.8 -15.2 67.2 35.9 272.9 1260 239 E V H << S+ 0 0 25 -4,-1.1 -2,-0.2 -3,-0.9 -3,-0.2 0.852 92.6 101.8 -96.0 -47.0 69.1 34.2 270.1 1261 240 E A S < S- 0 0 14 -4,-3.7 2,-0.3 -5,-0.2 137,-0.2 0.095 78.7-108.6 -41.3 145.5 71.3 37.1 268.9 1262 241 E T E -v 1398 0h 66 135,-2.3 137,-1.4 132,-0.9 -1,-0.1 -0.639 41.3-104.0 -81.5 135.5 74.9 37.2 269.9 1263 242 E A E -v 1399 0h 76 -2,-0.3 137,-0.2 135,-0.2 -1,-0.1 -0.218 39.3 -97.4 -60.3 148.1 75.7 39.9 272.5 1264 243 E Y - 0 0 24 135,-2.0 2,-1.0 1,-0.1 -1,-0.1 -0.375 37.4-112.5 -66.2 141.2 77.5 43.1 271.4 1265 244 E D > - 0 0 59 1,-0.2 3,-1.8 -3,-0.1 4,-0.2 -0.691 22.8-163.1 -82.5 105.6 81.3 43.1 272.0 1266 245 E T G > S+ 0 0 105 -2,-1.0 3,-1.8 1,-0.3 -1,-0.2 0.764 84.4 72.3 -56.8 -28.4 81.9 45.8 274.6 1267 246 E S G 3 S+ 0 0 70 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.785 84.1 67.9 -59.4 -29.3 85.6 45.8 273.6 1268 247 E L G < S+ 0 0 7 -3,-1.8 2,-0.5 2,-0.0 -1,-0.3 0.627 77.3 103.1 -67.1 -14.5 84.7 47.6 270.4 1269 248 E N < - 0 0 67 -3,-1.8 2,-0.3 -4,-0.2 3,-0.0 -0.600 55.4-168.8 -76.4 122.3 83.8 50.7 272.4 1270 249 E A > - 0 0 52 -2,-0.5 3,-0.6 1,-0.1 2,-0.1 -0.747 35.6 -81.5-108.7 157.5 86.4 53.4 272.2 1271 250 E T T 3 S+ 0 0 149 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 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-2,-0.3 2,-0.6 11,-0.2 6,-0.3 0.832 85.9 63.4 -71.3 -36.2 7.4 99.1 262.4 1871 348 G E S S+ 0 0 106 4,-0.2 4,-0.2 5,-0.1 2,-0.1 -0.836 74.2 109.0 -93.9 120.6 10.4 97.4 264.0 1872 349 G D S S- 0 0 18 -2,-0.6 -244,-0.8 2,-0.5 -243,-0.2 -0.419 82.0 -26.1-152.7-132.7 12.3 99.8 266.4 1873 350 G R S S- 0 0 88 -245,-0.3 -244,-0.1 -246,-0.1 -2,-0.0 0.899 130.9 -33.4 -65.5 -44.7 13.0 100.3 270.1 1874 351 G D S > S+ 0 0 76 -246,-0.1 3,-1.3 -4,-0.1 2,-0.9 0.281 107.5 111.2-135.5 -77.0 9.7 98.6 271.0 1875 352 G N G >>>S+ 0 0 1 1,-0.3 4,-2.0 2,-0.2 5,-1.4 -0.043 73.1 58.3 34.8 -77.2 7.2 99.4 268.2 1876 353 G F G 345S+ 0 0 126 -2,-0.9 -1,-0.3 -6,-0.3 -5,-0.1 0.816 115.0 38.2 -45.5 -39.8 6.9 95.9 266.6 1877 354 G V G <45S+ 0 0 124 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.706 121.5 44.2 -86.5 -23.1 5.7 94.5 270.0 1878 355 G K T <45S- 0 0 112 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.466 106.2-125.7 -97.2 -5.1 3.6 97.5 270.9 1879 356 G N T <5 + 0 0 59 -4,-2.0 -162,-2.4 1,-0.3 -161,-0.3 0.668 65.1 139.3 65.7 18.1 2.2 97.8 267.3 1880 357 G M < - 0 0 48 -5,-1.4 2,-0.4 -164,-0.3 -1,-0.3 -0.539 43.8-145.1 -90.2 158.4 3.4 101.3 267.3 1881 358 G L - 0 0 16 -2,-0.2 -166,-1.7 -3,-0.1 2,-0.4 -0.982 7.6-141.2-126.6 137.5 4.9 103.0 264.2 1882 359 G T E -LM17141869o 1 -13,-1.3 -13,-1.1 -2,-0.4 2,-0.4 -0.848 11.9-162.7-104.2 132.9 7.7 105.6 264.3 1883 360 G I E -LM17131868o 4 -170,-2.4 -170,-2.1 -2,-0.4 2,-0.4 -0.920 9.9-177.3-113.5 139.8 7.8 108.6 261.9 1884 361 G L E - M 01867o 7 -17,-1.5 -17,-1.3 -2,-0.4 2,-0.7 -0.995 22.4-160.5-144.1 137.4 10.9 110.6 261.2 1885 362 G C E - M 01866o 2 -2,-0.4 2,-0.4 -174,-0.3 -174,-0.3 -0.820 23.7-174.0-113.9 87.5 11.8 113.7 259.2 1886 363 G E E + M 01865o 7 -21,-1.0 -21,-1.9 -2,-0.7 2,-0.3 -0.684 10.2 165.6 -88.6 135.2 15.6 113.7 258.7 1887 364 G E E -K 1709 0o 9 -178,-1.5 -178,-1.9 -2,-0.4 2,-0.5 -0.948 13.4-167.2-149.5 124.6 17.4 116.6 257.1 1888 365 G R E +KM17081862o 16 -26,-0.8 -26,-2.4 -2,-0.3 -27,-1.1 -0.965 19.8 149.9-120.9 129.0 21.1 117.3 257.0 1889 366 G L E -KM17071860o 0 -182,-1.4 -182,-0.8 -2,-0.5 2,-0.4 -0.851 34.3-120.0-143.2 177.9 22.7 120.6 256.0 1890 367 G A E - M 01859o 0 -31,-2.2 -31,-2.6 -2,-0.2 2,-0.5 -0.990 12.1-151.0-132.8 136.2 25.7 122.9 256.5 1891 368 G L E - M 01858o 4 -186,-0.5 2,-0.4 -2,-0.4 -134,-0.3 -0.913 15.2-172.4-110.0 120.7 25.9 126.5 257.7 1892 369 G A - 0 0 2 -35,-2.2 2,-0.6 -2,-0.5 -35,-0.4 -0.880 13.4-151.9-113.7 143.2 28.8 128.7 256.6 1893 370 G H + 0 0 0 -2,-0.4 -205,-0.2 -37,-0.2 -37,-0.2 -0.879 19.3 168.9-117.6 100.0 29.7 132.2 257.8 1894 371 G Y S S+ 0 0 77 -2,-0.6 -1,-0.2 -39,-0.3 -38,-0.1 0.914 78.5 24.9 -74.9 -44.8 31.5 134.3 255.2 1895 372 G R > + 0 0 66 1,-0.1 3,-1.0 -208,-0.1 -1,-0.3 -0.838 56.6 176.7-128.5 93.9 31.3 137.7 257.0 1896 373 G P G > S+ 0 0 12 0, 0.0 -132,-0.7 0, 0.0 3,-0.5 0.627 86.7 61.9 -66.1 -14.7 30.9 137.5 260.8 1897 374 G T G 3 S+ 0 0 38 1,-0.2 -107,-0.1 -209,-0.2 -133,-0.0 0.752 90.1 66.1 -81.6 -28.6 31.1 141.3 260.7 1898 375 G A G < S+ 0 0 0 -3,-1.0 -47,-1.2 -107,-0.1 2,-0.4 0.423 97.0 68.8 -74.2 0.9 27.9 141.5 258.6 1899 376 G I E < - S 01850r 1 -3,-0.5 -135,-2.6 -49,-0.2 2,-0.4 -0.974 60.9-174.2-126.2 138.5 25.9 140.1 261.5 1900 377 G I E -pS17641849r 2 -51,-2.6 -51,-2.0 -2,-0.4 2,-0.4 -0.985 4.2-170.7-136.5 125.2 25.1 141.8 264.8 1901 378 G K E +pS17651848r 83 -137,-1.4 -135,-0.8 -2,-0.4 2,-0.3 -0.904 15.3 176.3-112.2 141.7 23.4 140.4 267.9 1902 379 G G E - S 01847r 4 -55,-1.8 -55,-1.8 -2,-0.4 2,-0.5 -0.990 32.5-111.3-146.8 155.3 22.4 142.6 270.8 1903 380 G T E - S 01846r 111 -2,-0.3 2,-1.0 -57,-0.2 -57,-0.2 -0.756 30.7-128.5 -88.8 122.7 20.6 142.5 274.2 1904 381 G F - 0 0 22 -59,-1.9 2,-0.8 -2,-0.5 -1,-0.0 -0.598 28.3-142.4 -70.3 102.3 17.3 144.4 274.2 1905 382 G S 0 0 107 -2,-1.0 -1,-0.1 -128,-0.1 -60,-0.0 -0.627 360.0 360.0 -76.9 110.1 17.9 146.6 277.3 1906 383 G S 0 0 123 -2,-0.8 -2,-0.0 -61,-0.1 0, 0.0 -0.956 360.0 360.0-170.2 360.0 14.7 146.9 279.3