==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-NOV-11 3UNZ . COMPND 2 MOLECULE: AURORA KINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.MARTIN,J.-Y.ZHU,E.SCHONBRUNN . 526 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 34 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 2 2 4 0 2 2 2 2 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 4 2 0 4 2 2 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 2 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 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 1 127 A Q 0 0 233 0, 0.0 2,-0.1 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 130.2 -15.3 -7.5 3.6 2 128 A W - 0 0 119 71,-0.2 2,-0.3 2,-0.0 73,-0.2 -0.334 360.0-164.8 -94.0 176.3 -19.1 -7.0 3.3 3 129 A A > - 0 0 34 -2,-0.1 3,-2.3 71,-0.1 4,-0.2 -0.962 40.2 -93.6-156.7 162.5 -21.5 -7.0 0.5 4 130 A L G > S+ 0 0 73 -2,-0.3 3,-1.2 1,-0.3 72,-0.0 0.750 117.6 57.7 -53.7 -32.6 -25.1 -5.8 0.0 5 131 A E G 3 S+ 0 0 150 1,-0.3 -1,-0.3 21,-0.0 22,-0.1 0.388 86.9 75.7 -83.0 -0.7 -26.8 -9.1 0.8 6 132 A D G < S+ 0 0 56 -3,-2.3 21,-2.8 20,-0.1 2,-0.4 0.477 96.9 68.4 -82.5 -0.2 -25.2 -9.3 4.2 7 133 A F E < -A 26 0A 9 -3,-1.2 2,-0.4 19,-0.3 19,-0.2 -0.951 69.8-146.4-129.2 134.5 -27.8 -6.7 5.0 8 134 A E E -A 25 0A 95 17,-2.8 17,-1.9 -2,-0.4 2,-0.5 -0.786 30.4-139.2 -85.9 139.5 -31.6 -6.5 5.3 9 135 A I E +A 24 0A 83 -2,-0.4 15,-0.3 15,-0.2 2,-0.1 -0.887 22.2 179.1-112.0 127.1 -32.8 -3.1 4.2 10 136 A G E - 0 0 33 13,-4.2 3,-0.1 -2,-0.5 15,-0.0 -0.060 47.9 -42.0 -98.4-153.7 -35.5 -1.0 5.9 11 137 A R E - 0 0 148 11,-0.1 12,-2.8 1,-0.1 2,-0.5 -0.184 67.1 -92.4 -67.1 160.7 -36.9 2.4 4.9 12 138 A P E -A 22 0A 49 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.699 29.3-162.8 -69.8 128.4 -34.8 5.3 3.8 13 139 A L E S- 0 0 35 8,-2.3 2,-0.3 -2,-0.5 9,-0.2 0.841 76.0 -8.4 -77.6 -38.3 -33.8 7.4 6.8 14 140 A G E -A 21 0A 6 7,-1.3 7,-2.2 141,-0.1 2,-0.5 -0.983 64.0-134.8-155.4 155.9 -32.9 10.3 4.5 15 141 A K E -AB 20 154A 124 139,-2.7 139,-1.2 -2,-0.3 5,-0.2 -0.966 25.3-176.1-118.5 126.2 -32.5 10.9 0.8 16 142 A G E - B 0 153A 18 3,-3.4 137,-0.2 -2,-0.5 136,-0.1 -0.404 39.9-104.2-106.8-174.5 -29.5 12.9 -0.5 17 143 A K S S+ 0 0 154 135,-0.5 135,-0.1 134,-0.4 3,-0.1 0.788 122.0 37.8 -81.1 -31.1 -28.3 14.2 -3.9 18 144 A F S S- 0 0 17 133,-0.4 21,-3.2 1,-0.2 22,-0.4 0.444 132.3 -60.3 -96.9 -2.8 -25.7 11.4 -4.3 19 145 A G E - C 0 38A 4 19,-0.2 -3,-3.4 132,-0.1 2,-0.3 -0.987 60.0 -70.0 153.4-162.3 -27.8 8.7 -2.7 20 146 A N E -AC 15 37A 16 17,-0.9 17,-2.9 -2,-0.3 2,-0.5 -0.924 19.5-133.1-133.6 153.0 -29.7 7.5 0.4 21 147 A V E -AC 14 36A 17 -7,-2.2 -8,-2.3 -2,-0.3 -7,-1.3 -0.920 31.4-165.5-100.5 127.0 -29.2 6.3 3.9 22 148 A Y E -AC 12 35A 58 13,-2.5 13,-2.9 -2,-0.5 2,-0.3 -0.880 25.7-115.0-111.9 147.9 -31.3 3.2 4.7 23 149 A L E + C 0 34A 37 -12,-2.8 -13,-4.2 -2,-0.4 2,-0.3 -0.613 53.2 166.1 -68.5 136.8 -32.1 1.6 8.0 24 150 A A E -AC 9 33A 3 9,-2.4 9,-2.6 -2,-0.3 2,-0.3 -0.939 30.4-153.6-149.4 165.5 -30.5 -1.8 7.8 25 151 A R E -AC 8 32A 88 -17,-1.9 -17,-2.8 -2,-0.3 7,-0.3 -0.954 32.5-110.2-145.7 135.6 -29.4 -4.8 9.8 26 152 A E E > -A 7 0A 14 5,-2.0 4,-1.4 -2,-0.3 -19,-0.3 -0.411 34.9-131.7 -57.0 135.0 -26.7 -7.4 9.2 27 153 A K T 4 S+ 0 0 102 -21,-2.8 -1,-0.1 2,-0.2 -20,-0.1 0.826 96.3 42.2 -66.6 -34.8 -28.7 -10.5 8.4 28 154 A Q T 4 S+ 0 0 160 -22,-0.3 -1,-0.1 1,-0.1 -21,-0.0 0.990 124.3 29.6 -75.5 -67.3 -26.9 -12.9 10.7 29 155 A S T 4 S- 0 0 66 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.660 94.8-138.6 -69.6 -17.0 -26.4 -11.0 14.0 30 156 A K < + 0 0 141 -4,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.728 46.1 159.0 63.2 22.7 -29.6 -9.0 13.2 31 157 A F - 0 0 115 -5,-0.2 -5,-2.0 1,-0.1 -1,-0.2 -0.670 37.3-129.6 -83.7 125.5 -27.8 -5.9 14.4 32 158 A I E +C 25 0A 53 -2,-0.5 54,-0.4 -7,-0.3 -7,-0.3 -0.517 39.4 149.4 -80.5 137.4 -29.3 -2.7 13.1 33 159 A L E -C 24 0A 8 -9,-2.6 -9,-2.4 -2,-0.2 2,-0.5 -0.817 45.1 -95.7-146.5-176.0 -27.1 -0.0 11.5 34 160 A A E -CD 23 84A 5 50,-2.6 50,-2.8 -2,-0.2 2,-0.7 -0.966 28.0-154.2-117.1 127.8 -27.4 2.7 8.9 35 161 A L E -CD 22 83A 0 -13,-2.9 -13,-2.5 -2,-0.5 2,-0.5 -0.866 3.3-155.7-104.6 110.0 -26.3 2.1 5.3 36 162 A K E -CD 21 82A 18 46,-2.8 46,-2.2 -2,-0.7 2,-0.5 -0.726 11.0-161.3 -82.8 125.3 -25.2 5.1 3.2 37 163 A V E -CD 20 81A 10 -17,-2.9 -17,-0.9 -2,-0.5 2,-0.6 -0.943 4.5-167.3-113.8 120.7 -25.7 4.4 -0.5 38 164 A L E -CD 19 80A 5 42,-3.1 42,-2.4 -2,-0.5 -19,-0.2 -0.936 15.0-150.2-116.3 114.1 -23.7 6.5 -3.0 39 165 A F - 0 0 60 -21,-3.2 2,-0.4 -2,-0.6 -20,-0.1 0.637 17.7-154.2 -62.9 -22.6 -24.8 6.3 -6.6 40 166 A K S > S+ 0 0 48 -22,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.213 78.4 84.3 74.6 -19.4 -21.3 7.1 -7.9 41 167 A A H > S+ 0 0 43 -2,-0.4 4,-1.1 37,-0.3 -1,-0.2 0.789 96.0 41.4 -82.8 -31.6 -22.6 8.5 -11.2 42 168 A Q H > S+ 0 0 53 -24,-0.2 4,-2.6 2,-0.2 6,-0.2 0.590 105.7 72.0 -80.1 -15.9 -23.2 11.9 -9.5 43 169 A L H 4>S+ 0 0 5 2,-0.2 5,-2.1 1,-0.2 -2,-0.2 0.923 100.8 38.9 -71.5 -42.4 -19.9 11.2 -7.9 44 170 A E H ><5S+ 0 0 62 -4,-1.1 3,-2.2 3,-0.2 -2,-0.2 0.960 114.6 53.8 -66.0 -52.8 -17.9 11.8 -11.1 45 171 A K H 3<5S+ 0 0 131 -4,-1.1 401,-1.3 1,-0.3 -2,-0.2 0.954 112.1 43.9 -44.4 -60.8 -20.1 14.7 -12.2 46 172 A A T 3<5S- 0 0 11 -4,-2.6 -1,-0.3 399,-0.2 -2,-0.2 0.569 114.4-127.5 -62.3 -8.4 -19.5 16.4 -8.8 47 173 A G T < 5 + 0 0 13 -3,-2.2 2,-0.7 1,-0.2 344,-0.3 0.630 63.7 134.8 73.1 15.6 -15.8 15.3 -9.3 48 174 A V < + 0 0 9 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.869 16.6 105.5-103.7 108.5 -15.6 13.6 -6.0 49 175 A E S > S+ 0 0 16 -2,-0.7 4,-2.4 340,-0.2 5,-0.2 0.324 77.7 42.2-132.0 -69.5 -13.9 10.2 -5.8 50 176 A H H > S+ 0 0 54 1,-0.2 4,-1.3 339,-0.2 5,-0.2 0.858 114.1 55.2 -53.3 -42.1 -10.4 10.2 -4.4 51 177 A Q H >> S+ 0 0 111 2,-0.2 3,-1.4 1,-0.2 4,-1.3 0.973 110.7 43.2 -49.4 -62.4 -11.4 12.6 -1.6 52 178 A L H 3> S+ 0 0 12 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.852 109.9 61.4 -51.7 -39.1 -14.3 10.3 -0.5 53 179 A R H 3< S+ 0 0 129 -4,-2.4 -1,-0.3 1,-0.3 4,-0.2 0.684 112.2 34.6 -59.8 -37.4 -11.8 7.4 -0.9 54 180 A R H S+ 0 0 65 -4,-0.2 4,-0.5 -5,-0.2 -2,-0.2 0.961 114.8 36.2 -61.9 -55.0 -9.8 6.2 5.4 58 184 A I H >< S+ 0 0 29 -4,-2.6 3,-3.0 1,-0.2 4,-0.3 0.992 119.1 46.0 -59.9 -66.6 -9.8 9.1 7.9 59 185 A Q H >< S+ 0 0 4 -4,-2.5 3,-0.8 1,-0.3 11,-0.6 0.664 101.0 70.1 -58.0 -19.3 -13.3 8.7 9.4 60 186 A S H 3< S+ 0 0 35 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.839 100.8 48.4 -60.6 -30.9 -12.6 5.0 9.7 61 187 A H T << S+ 0 0 108 -3,-3.0 2,-0.7 -4,-0.5 -1,-0.2 0.418 86.1 106.9 -92.8 -0.6 -10.1 6.0 12.4 62 188 A L < + 0 0 6 -3,-0.8 2,-0.6 -4,-0.3 8,-0.3 -0.725 41.7 178.3 -90.8 113.3 -12.4 8.3 14.3 63 189 A R + 0 0 140 -2,-0.7 5,-0.1 6,-0.1 3,-0.1 -0.926 22.8 130.7-114.0 107.1 -13.6 6.9 17.7 64 190 A H > - 0 0 40 -2,-0.6 3,-0.8 3,-0.4 5,-0.1 -0.983 56.4-133.0-150.6 147.1 -15.9 9.2 19.7 65 191 A P T 3 S+ 0 0 86 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.778 113.7 45.5 -64.7 -27.6 -19.2 8.9 21.5 66 192 A N T 3 S+ 0 0 6 47,-0.1 80,-3.0 79,-0.1 2,-0.4 0.362 103.2 76.7 -99.3 4.0 -20.3 12.2 19.9 67 193 A I B < S-f 146 0B 4 -3,-0.8 2,-0.4 78,-0.3 -3,-0.4 -0.954 88.7-117.0-111.1 134.3 -19.1 11.2 16.5 68 194 A L - 0 0 10 78,-2.2 2,-0.3 -2,-0.4 -6,-0.1 -0.575 35.7-126.5 -70.7 123.0 -21.1 8.7 14.3 69 195 A R - 0 0 91 -2,-0.4 16,-2.2 -5,-0.1 2,-0.9 -0.517 8.7-145.5 -78.7 131.3 -18.9 5.7 13.8 70 196 A L E -E 84 0A 2 -11,-0.6 14,-0.3 -8,-0.3 3,-0.1 -0.854 16.5-174.5 -92.6 108.6 -18.2 4.4 10.3 71 197 A Y E - 0 0 80 12,-1.8 2,-0.3 -2,-0.9 13,-0.2 0.960 56.3 -32.4 -69.8 -52.9 -18.0 0.6 10.8 72 198 A G E -E 83 0A 14 11,-1.7 11,-3.0 2,-0.0 2,-0.3 -0.940 48.9-135.5-157.6 175.3 -17.0 -0.3 7.3 73 199 A Y E +E 82 0A 120 -2,-0.3 2,-0.3 9,-0.2 -71,-0.2 -0.999 22.5 155.9-143.0 148.4 -17.2 0.4 3.5 74 200 A F E -E 81 0A 18 7,-2.2 7,-3.1 -2,-0.3 2,-0.3 -0.944 15.7-158.5-154.2 177.3 -17.6 -1.5 0.3 75 201 A H E -E 80 0A 125 -2,-0.3 5,-0.2 5,-0.2 -71,-0.0 -0.958 9.7-170.2-153.1 164.1 -18.8 -1.0 -3.2 76 202 A D - 0 0 81 3,-2.0 -1,-0.1 -2,-0.3 4,-0.1 0.494 60.5 -63.1-120.1 -82.9 -20.1 -2.9 -6.2 77 203 A A S S+ 0 0 73 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.474 125.8 21.9-135.9 -62.8 -20.4 -1.2 -9.6 78 204 A T S S+ 0 0 70 1,-0.1 2,-0.4 -38,-0.0 -37,-0.3 0.504 120.1 53.0 -90.3 -9.3 -22.9 1.6 -9.4 79 205 A R - 0 0 93 -39,-0.1 -3,-2.0 -38,-0.1 2,-0.4 -0.979 54.6-153.8-142.3 139.7 -22.7 2.2 -5.7 80 206 A V E -DE 38 75A 22 -42,-2.4 -42,-3.1 -2,-0.4 2,-0.5 -0.887 23.8-154.0-103.4 144.6 -20.5 2.9 -2.7 81 207 A Y E -DE 37 74A 5 -7,-3.1 -7,-2.2 -2,-0.4 2,-0.6 -0.979 8.9-162.5-126.4 123.7 -21.7 1.8 0.7 82 208 A L E -DE 36 73A 0 -46,-2.2 -46,-2.8 -2,-0.5 2,-0.7 -0.931 14.1-146.9-102.8 117.9 -20.8 3.3 4.0 83 209 A I E +DE 35 72A 4 -11,-3.0 -12,-1.8 -2,-0.6 -11,-1.7 -0.808 34.0 179.3 -88.1 114.8 -21.7 1.0 7.0 84 210 A L E -DE 34 70A 9 -50,-2.8 -50,-2.6 -2,-0.7 -14,-0.2 -0.719 34.8 -94.0-123.4 156.0 -22.6 3.4 9.8 85 211 A E - 0 0 34 -16,-2.2 2,-0.5 -2,-0.2 -52,-0.1 -0.425 44.7-124.9 -60.9 140.4 -23.7 3.7 13.3 86 212 A Y - 0 0 63 -54,-0.4 -1,-0.1 -2,-0.1 -17,-0.1 -0.818 15.7-158.4 -94.1 130.1 -27.5 4.0 13.6 87 213 A A > - 0 0 9 -2,-0.5 3,-1.2 1,-0.1 51,-0.2 -0.902 3.9-165.1-110.0 105.4 -28.9 7.0 15.6 88 214 A P T 3 S+ 0 0 61 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.787 80.9 56.0 -59.1 -37.5 -32.4 6.1 16.6 89 215 A L T 3 S- 0 0 70 49,-1.9 50,-0.1 50,-0.3 2,-0.1 0.543 93.4-150.8 -83.5 -8.7 -33.6 9.6 17.6 90 216 A G E < +G 138 0B 18 -3,-1.2 48,-2.2 48,-0.5 2,-0.3 -0.420 43.7 1.1 80.9-148.7 -32.9 11.2 14.2 91 217 A T E > -G 137 0B 30 46,-0.2 4,-1.7 1,-0.1 3,-0.3 -0.552 42.6-142.9 -88.6 140.2 -31.9 14.8 13.6 92 218 A V H > S+ 0 0 0 44,-1.9 4,-2.2 41,-0.7 42,-0.2 0.698 104.3 68.8 -62.3 -18.4 -31.5 17.7 16.1 93 219 A Y H > S+ 0 0 49 40,-0.8 4,-1.6 43,-0.5 -1,-0.2 0.930 100.6 40.1 -69.4 -48.1 -33.1 19.6 13.2 94 220 A R H > S+ 0 0 108 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.849 114.9 54.8 -69.1 -32.3 -36.5 18.0 13.5 95 221 A E H X S+ 0 0 32 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.925 109.0 47.8 -62.6 -43.0 -36.1 18.2 17.3 96 222 A L H X S+ 0 0 7 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.798 111.1 50.1 -70.5 -30.5 -35.5 21.9 17.0 97 223 A Q H < S+ 0 0 89 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.795 110.0 54.0 -74.1 -29.2 -38.5 22.2 14.7 98 224 A K H < S+ 0 0 125 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.982 122.6 24.3 -65.0 -59.2 -40.5 20.3 17.3 99 225 A L H < S- 0 0 93 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.739 92.5-140.6 -81.3 -24.4 -39.7 22.5 20.3 100 226 A S S < S+ 0 0 76 -4,-1.7 2,-0.3 -5,-0.3 -4,-0.1 0.086 82.0 19.1 76.6 -20.5 -38.9 25.6 18.2 101 227 A K S S- 0 0 95 -6,-0.2 96,-0.2 98,-0.1 2,-0.1 -0.928 73.6-133.3-162.7 158.4 -36.1 26.3 20.7 102 228 A F - 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0 0 49 -2,-0.3 3,-2.5 -398,-0.1 4,-0.3 -0.491 52.8 -78.2-102.9-177.0 -19.7 20.2 -10.2 446 308 B E T > S+ 0 0 58 -401,-1.3 3,-1.8 1,-0.3 4,-0.4 0.800 121.1 78.4 -51.4 -28.6 -17.0 20.4 -12.9 447 309 B K T >> + 0 0 24 1,-0.3 4,-0.9 2,-0.2 3,-0.5 0.647 68.9 84.1 -62.4 -14.5 -18.8 23.4 -14.3 448 310 B V H X> S+ 0 0 0 -3,-2.5 3,-1.7 1,-0.2 4,-1.2 0.951 86.8 57.4 -45.7 -49.7 -17.3 25.5 -11.5 449 311 B D H <> S+ 0 0 1 -3,-1.8 4,-2.3 1,-0.3 -1,-0.2 0.830 96.6 59.4 -58.2 -35.2 -14.3 25.8 -13.8 450 312 B L H <> S+ 0 0 3 -3,-0.5 4,-1.7 -4,-0.4 -1,-0.3 0.736 100.2 57.3 -71.2 -19.6 -16.2 27.3 -16.7 451 313 B W H X S+ 0 0 13 -4,-2.4 4,-3.3 -5,-0.2 3,-0.6 0.951 111.1 47.2 -51.6 -55.6 -13.0 39.3 -19.0 459 321 B E H 3X S+ 0 0 10 -4,-2.7 4,-3.8 1,-0.3 -1,-0.2 0.921 106.2 58.8 -52.4 -49.8 -10.0 40.3 -17.1 460 322 B F H 3< S+ 0 0 0 -4,-2.9 -94,-3.4 1,-0.2 -1,-0.3 0.874 117.4 32.1 -48.5 -46.3 -7.7 39.5 -20.0 461 323 B L H << S+ 0 0 10 -4,-2.0 -1,-0.2 -3,-0.6 -2,-0.2 0.871 129.0 36.8 -81.0 -39.5 -9.5 42.0 -22.2 462 324 B V H < S- 0 0 20 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.873 93.0-128.8 -84.7 -39.3 -10.5 44.5 -19.5 463 325 B G S < S+ 0 0 28 -4,-3.8 -4,-0.1 -5,-0.3 -3,-0.1 0.157 88.2 59.0 101.8 -16.2 -7.5 44.6 -17.2 464 326 B K S S- 0 0 113 -6,-0.2 -2,-0.2 -5,-0.2 -1,-0.2 -0.976 91.7-100.3-139.4 156.6 -9.9 44.0 -14.3 465 327 B P > - 0 0 8 0, 0.0 3,-1.1 0, 0.0 -9,-0.1 -0.376 33.7-115.3 -75.9 156.2 -12.4 41.3 -13.3 466 328 B P T 3 S+ 0 0 17 0, 0.0 19,-0.3 0, 0.0 -34,-0.0 0.773 110.7 42.0 -65.7 -30.3 -16.1 41.8 -14.0 467 329 B F T 3 S+ 0 0 1 -35,-0.2 11,-0.2 17,-0.1 12,-0.2 0.365 77.9 141.4 -99.2 2.6 -17.2 41.8 -10.3 468 330 B E < + 0 0 91 -3,-1.1 2,-0.3 10,-0.1 -39,-0.1 -0.136 22.2 158.0 -50.1 136.3 -14.4 43.8 -8.8 469 331 B A - 0 0 30 9,-0.0 6,-0.1 2,-0.0 -2,-0.0 -0.981 52.9-110.5-158.6 162.1 -15.7 46.2 -6.0 470 332 B N S S+ 0 0 159 -2,-0.3 2,-0.3 4,-0.0 -2,-0.1 0.477 101.0 47.9 -82.4 -1.5 -14.4 48.1 -3.0 471 333 B T S > S- 0 0 62 1,-0.1 4,-2.1 -43,-0.0 5,-0.1 -0.985 75.7-132.9-134.2 152.8 -16.2 45.9 -0.6 472 334 B Y H > S+ 0 0 62 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.877 107.3 51.6 -64.9 -42.7 -16.5 42.1 -0.2 473 335 B Q H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.852 110.8 48.9 -68.9 -33.2 -20.3 42.1 0.2 474 336 B E H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.905 108.5 52.0 -71.2 -44.1 -20.7 44.2 -2.9 475 337 B T H X S+ 0 0 8 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.937 112.4 48.5 -53.4 -46.0 -18.4 41.9 -5.0 476 338 B Y H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.5 0.932 106.7 55.3 -56.6 -50.8 -20.7 39.2 -3.7 477 339 B K H X S+ 0 0 40 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.941 112.1 43.6 -48.2 -53.4 -23.8 41.1 -4.7 478 340 B R H <>S+ 0 0 70 -4,-2.7 5,-3.0 -11,-0.2 -1,-0.2 0.880 115.5 47.7 -64.9 -42.6 -22.5 41.4 -8.2 479 341 B I H ><5S+ 0 0 0 -4,-2.6 3,-2.6 3,-0.2 -2,-0.2 0.995 115.0 41.3 -59.2 -66.6 -21.3 37.8 -8.5 480 342 B S H 3<5S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.744 122.3 42.8 -59.4 -27.4 -24.4 35.9 -7.1 481 343 B R T 3<5S- 0 0 122 -4,-1.6 -1,-0.3 -5,-0.5 -2,-0.2 0.292 108.2-130.5 -97.1 4.9 -26.7 38.3 -9.0 482 344 B V T < 5 + 0 0 38 -3,-2.6 2,-0.7 1,-0.2 -3,-0.2 0.907 45.0 164.9 43.7 60.9 -24.4 38.1 -12.1 483 345 B E < + 0 0 56 -5,-3.0 2,-0.3 -6,-0.1 -1,-0.2 -0.903 10.5 134.3-111.7 107.9 -24.2 41.8 -12.6 484 346 B F - 0 0 38 -2,-0.7 2,-0.3 -5,-0.0 -17,-0.1 -0.988 31.9-157.7-153.8 145.6 -21.4 42.8 -14.9 485 347 B T - 0 0 116 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.948 15.7-127.0-131.2 146.0 -21.0 45.2 -17.9 486 348 B F - 0 0 45 -2,-0.3 2,-0.1 1,-0.1 -28,-0.0 -0.656 22.3-120.6 -91.4 142.0 -18.5 45.4 -20.8 487 349 B P > - 0 0 38 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.380 40.5 -97.9 -68.2 162.5 -16.5 48.5 -21.7 488 350 B D T 3 S+ 0 0 159 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 0.873 116.8 60.1 -49.3 -46.2 -17.1 49.8 -25.2 489 351 B F T 3 S+ 0 0 116 2,-0.1 -1,-0.2 -28,-0.0 2,-0.1 0.650 75.4 106.9 -67.4 -19.4 -14.1 48.1 -26.8 490 352 B V S < S- 0 0 6 -3,-1.3 2,-0.2 1,-0.1 -4,-0.1 -0.374 71.0-125.2 -64.6 130.9 -15.0 44.5 -26.0 491 353 B T > - 0 0 42 -2,-0.1 4,-2.6 1,-0.1 3,-0.1 -0.514 12.9-120.5 -79.2 151.2 -16.1 42.7 -29.1 492 354 B E H > S+ 0 0 151 2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.586 111.6 55.3 -59.1 -31.4 -19.4 41.0 -29.2 493 355 B G H > S+ 0 0 23 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.835 110.4 49.5 -72.9 -36.4 -18.0 37.5 -29.9 494 356 B A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.3 0.974 110.8 49.8 -56.9 -55.8 -16.0 38.1 -26.8 495 357 B R H X S+ 0 0 67 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.883 109.8 51.2 -50.0 -44.9 -19.2 39.2 -25.1 496 358 B D H X S+ 0 0 72 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.955 111.5 46.1 -62.5 -48.8 -21.0 36.0 -26.3 497 359 B L H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.941 117.6 43.4 -57.5 -49.5 -18.3 33.7 -25.0 498 360 B I H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.922 114.9 47.0 -63.8 -49.3 -18.2 35.5 -21.6 499 361 B S H < S+ 0 0 41 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.4 51.0 -60.7 -36.8 -21.9 35.8 -21.1 500 362 B R H < S+ 0 0 101 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.829 113.2 45.4 -70.1 -33.3 -22.3 32.2 -22.1 501 363 B L H < S+ 0 0 0 -4,-1.7 2,-1.0 -5,-0.2 -2,-0.2 0.841 105.0 64.7 -79.6 -35.0 -19.6 31.3 -19.6 502 364 B L < + 0 0 4 -4,-2.9 2,-0.4 -5,-0.1 -1,-0.2 -0.771 66.1 140.6 -99.9 103.9 -21.0 33.4 -16.7 503 365 B K - 0 0 73 -2,-1.0 6,-0.1 1,-0.1 -21,-0.1 -0.996 54.4-134.4-142.2 135.3 -24.4 32.0 -15.8 504 366 B H S S+ 0 0 77 -2,-0.4 -67,-0.2 1,-0.1 -1,-0.1 0.908 97.4 67.7 -60.3 -38.2 -25.8 31.6 -12.3 505 367 B N S > S- 0 0 82 1,-0.2 3,-1.4 -3,-0.1 4,-0.4 -0.709 74.5-153.3 -84.5 117.1 -26.9 28.1 -13.3 506 368 B P G > S+ 0 0 28 0, 0.0 3,-2.7 0, 0.0 -1,-0.2 0.932 93.6 63.0 -50.8 -45.9 -24.0 25.8 -13.9 507 369 B S G 3 S+ 0 0 83 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.687 97.3 56.7 -55.4 -23.1 -26.1 23.7 -16.3 508 370 B Q G < S+ 0 0 117 -3,-1.4 -1,-0.3 -5,-0.0 -4,-0.1 0.515 87.6 99.1 -88.9 -4.4 -26.4 26.7 -18.7 509 371 B R S < S- 0 0 3 -3,-2.7 -8,-0.2 -4,-0.4 -58,-0.1 -0.600 81.4-103.7 -84.2 144.2 -22.6 27.0 -19.0 510 372 B P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.078 28.6-110.3 -60.6 158.8 -20.9 25.5 -22.0 511 373 B M > - 0 0 99 1,-0.1 4,-1.7 -61,-0.0 3,-0.4 -0.677 37.0-108.2 -81.1 151.7 -18.9 22.3 -22.1 512 374 B L H > S+ 0 0 14 -2,-0.3 4,-2.2 1,-0.3 3,-0.3 0.877 118.2 49.0 -51.2 -49.1 -15.2 22.8 -22.5 513 375 B R H > S+ 0 0 162 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.877 107.1 56.0 -61.6 -37.7 -15.0 21.5 -26.1 514 376 B E H > S+ 0 0 80 -3,-0.4 4,-1.1 1,-0.2 -1,-0.3 0.870 106.7 52.8 -58.6 -35.6 -17.9 23.7 -27.0 515 377 B V H >< S+ 0 0 2 -4,-1.7 3,-0.6 -3,-0.3 -2,-0.2 0.932 107.3 48.8 -64.5 -49.2 -15.7 26.6 -25.6 516 378 B L H 3< S+ 0 0 46 -4,-2.2 6,-0.2 1,-0.2 -2,-0.2 0.873 111.5 52.5 -57.1 -36.0 -12.9 25.5 -27.9 517 379 B E H 3< S+ 0 0 121 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.750 79.0 125.9 -71.7 -25.0 -15.3 25.5 -30.8 518 380 B H S+ 0 0 95 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.793 108.2 48.7 -46.8 -42.3 -16.5 31.2 -33.3 520 382 B W H > S+ 0 0 15 2,-0.2 4,-2.5 -27,-0.2 5,-0.3 0.914 109.2 53.2 -72.0 -43.1 -14.5 34.0 -31.6 521 383 B I H > S+ 0 0 4 -3,-0.2 4,-2.5 -6,-0.2 -1,-0.2 0.987 112.4 44.1 -46.4 -68.0 -12.0 31.5 -30.1 522 384 B T H < S+ 0 0 82 -4,-2.1 -2,-0.2 -6,-0.2 -1,-0.2 0.846 111.7 57.0 -50.0 -42.5 -11.3 30.0 -33.5 523 385 B A H < S+ 0 0 74 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.979 123.8 16.3 -51.8 -67.0 -11.2 33.5 -35.0 524 386 B N H < S+ 0 0 32 -4,-2.5 2,-0.5 -156,-0.1 -151,-0.3 0.457 93.8 115.4 -95.8 -1.4 -8.4 35.0 -32.9 525 387 B S < - 0 0 26 -4,-2.5 -155,-0.1 -5,-0.3 -156,-0.1 -0.579 48.6-159.5 -78.8 121.3 -6.8 32.0 -31.2 526 388 B S 0 0 98 -157,-0.7 -1,-0.1 -2,-0.5 -156,-0.1 0.554 360.0 360.0 -72.1 -7.2 -3.2 31.4 -32.3 527 389 B K 0 0 122 -155,-0.0 -154,-0.1 0, 0.0 -153,-0.0 0.453 360.0 360.0-111.4 360.0 -3.5 27.8 -31.2