==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-JAN-12 4DHF . COMPND 2 MOLECULE: AURORA KINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.SILVIAN,D.J.MARCOTTE . 516 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 67.2 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 . 75 14.5 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 2 2 3 1 2 0 4 0 0 2 0 0 2 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 . 3 1 2 0 4 4 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 0 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 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 1 128 A W 0 0 172 0, 0.0 2,-0.3 0, 0.0 73,-0.2 0.000 360.0 360.0 360.0 146.5 -16.9 6.6 13.2 2 129 A A - 0 0 34 2,-0.3 4,-0.1 1,-0.1 73,-0.1 -0.981 360.0-101.3-146.2 159.6 -16.0 4.3 10.3 3 130 A L S > S+ 0 0 59 -2,-0.3 3,-1.9 2,-0.1 2,-0.2 0.896 113.9 64.1 -39.4 -71.5 -17.2 3.7 6.7 4 131 A E T 3 S+ 0 0 128 1,-0.3 -2,-0.3 -3,-0.1 3,-0.1 -0.508 87.4 69.0 -45.2 120.9 -19.3 0.7 7.6 5 132 A D T 3 S+ 0 0 56 1,-0.3 21,-1.6 -2,-0.2 22,-0.4 -0.038 98.9 60.8 134.5 -28.1 -21.7 2.7 9.8 6 133 A F E < -A 25 0A 9 -3,-1.9 2,-0.5 19,-0.2 -1,-0.3 -0.975 68.3-146.6-129.8 139.4 -23.1 4.3 6.8 7 134 A E E -A 24 0A 100 17,-2.0 17,-2.5 -2,-0.4 2,-0.4 -0.930 29.5-139.5 -96.2 140.6 -24.8 3.2 3.7 8 135 A I E -A 23 0A 72 -2,-0.5 15,-0.3 15,-0.2 2,-0.1 -0.774 20.5-172.4 -98.0 142.9 -23.8 5.5 0.8 9 136 A G E - 0 0 40 13,-3.4 -1,-0.1 1,-0.4 3,-0.1 -0.057 44.5 -27.9-109.8-145.0 -26.3 6.7 -1.8 10 137 A R E S- 0 0 155 11,-0.1 12,-2.4 1,-0.1 -1,-0.4 -0.234 71.9 -98.3 -67.3 159.6 -26.0 8.6 -5.0 11 138 A P E -A 21 0A 68 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.691 30.4-167.5 -79.9 134.8 -23.2 11.0 -5.5 12 139 A L E + 0 0 57 8,-3.1 2,-0.3 -2,-0.3 9,-0.2 0.648 62.5 11.4 -91.3 -22.9 -24.1 14.7 -4.9 13 140 A G E S-A 20 0A 20 7,-1.1 7,-1.4 0, 0.0 -1,-0.2 -0.996 79.2 -82.1-166.5 156.0 -21.1 16.5 -6.4 14 141 A K - 0 0 161 -2,-0.3 2,-2.1 5,-0.2 3,-0.2 -0.116 50.6 -90.0 -73.1 154.0 -17.9 16.4 -8.5 15 142 A G + 0 0 47 1,-0.2 4,-0.2 2,-0.1 -1,-0.1 -0.403 53.0 155.2 -62.1 74.7 -14.4 15.2 -7.5 16 143 A K S S- 0 0 114 -2,-2.1 -1,-0.2 2,-0.9 3,-0.1 0.995 103.0 -21.9 -51.9 -75.3 -12.7 18.4 -6.3 17 144 A F S S- 0 0 69 1,-0.5 21,-1.5 -3,-0.2 2,-0.3 0.184 141.0 -33.1-114.4 9.2 -10.4 16.1 -4.3 18 145 A G S S- 0 0 11 19,-0.2 -2,-0.9 -4,-0.2 -1,-0.5 -0.859 86.3 -70.4 154.7-178.6 -12.9 13.3 -4.3 19 146 A N - 0 0 50 -2,-0.3 17,-3.1 -4,-0.2 2,-0.4 -0.499 28.7-129.2 -99.6 169.1 -16.7 13.2 -4.4 20 147 A V E -AB 13 35A 27 -7,-1.4 -8,-3.1 15,-0.3 -7,-1.1 -0.980 29.1-163.1-116.7 134.3 -19.5 14.0 -1.9 21 148 A Y E -AB 11 34A 55 13,-2.5 13,-2.9 -2,-0.4 2,-0.2 -0.857 24.3-115.9-119.5 143.5 -22.2 11.4 -1.4 22 149 A L E + B 0 33A 31 -12,-2.4 -13,-3.4 -2,-0.3 2,-0.3 -0.514 48.6 178.6 -65.0 145.9 -25.7 11.2 0.1 23 150 A A E -AB 8 32A 2 9,-2.2 9,-3.2 -15,-0.3 2,-0.4 -0.994 28.0-147.0-161.7 154.5 -25.6 8.9 3.0 24 151 A R E -AB 7 31A 87 -17,-2.5 -17,-2.0 -2,-0.3 2,-0.8 -0.946 22.1-128.3-127.3 130.7 -27.6 7.4 5.8 25 152 A E E >> -AB 6 30A 12 5,-2.6 4,-3.7 -2,-0.4 5,-0.6 -0.726 16.1-145.5 -90.2 113.4 -26.3 6.5 9.4 26 153 A K T 45S+ 0 0 112 -21,-1.6 -1,-0.1 -2,-0.8 -20,-0.1 0.783 92.7 46.9 -42.0 -52.5 -27.2 2.8 10.2 27 154 A Q T 45S+ 0 0 176 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.989 131.6 15.6 -55.1 -64.2 -27.8 3.3 13.9 28 155 A S T 45S- 0 0 69 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.467 93.4-124.6-100.2 -6.0 -30.0 6.4 13.8 29 156 A K T <5 + 0 0 142 -4,-3.7 2,-0.2 1,-0.2 -3,-0.2 0.725 50.2 168.3 67.7 21.6 -31.0 6.5 10.1 30 157 A F E < -B 25 0A 95 -5,-0.6 -5,-2.6 -6,-0.1 2,-0.5 -0.444 29.9-138.0 -71.0 134.1 -29.6 10.0 9.9 31 158 A I E +B 24 0A 74 -7,-0.2 54,-0.4 -2,-0.2 2,-0.3 -0.837 38.7 148.2-100.1 132.2 -29.3 11.5 6.4 32 159 A L E -B 23 0A 6 -9,-3.2 -9,-2.2 -2,-0.5 2,-0.4 -0.849 46.7-104.0-151.2 173.5 -26.1 13.4 5.8 33 160 A A E -BC 22 83A 7 50,-2.2 50,-3.2 -2,-0.3 2,-0.7 -0.961 26.9-152.1-115.1 133.2 -23.6 14.2 3.1 34 161 A L E -BC 21 82A 1 -13,-2.9 -13,-2.5 -2,-0.4 2,-0.4 -0.921 3.2-157.3-112.6 101.9 -20.3 12.4 3.1 35 162 A K E -BC 20 81A 16 46,-2.2 46,-1.9 -2,-0.7 2,-0.6 -0.725 12.5-160.8 -78.5 127.0 -17.4 14.4 1.6 36 163 A V E + C 0 80A 16 -17,-3.1 2,-0.5 -2,-0.4 -17,-0.2 -0.918 11.9 178.9-120.7 107.9 -14.7 11.8 0.5 37 164 A L E - C 0 79A 9 42,-3.0 42,-3.7 -2,-0.6 2,-0.5 -0.923 25.7-132.2-110.7 122.7 -11.2 13.1 -0.1 38 165 A F E > - C 0 78A 63 -21,-1.5 4,-1.6 -2,-0.5 3,-0.4 -0.632 9.6-144.4 -70.4 118.3 -8.3 10.7 -1.1 39 166 A K H > S+ 0 0 50 38,-2.0 4,-2.2 -2,-0.5 5,-0.4 0.907 97.6 67.8 -43.5 -49.1 -5.2 11.4 1.1 40 167 A A H > S+ 0 0 57 37,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.907 105.8 37.8 -37.1 -62.0 -3.1 10.7 -1.9 41 168 A Q H > S+ 0 0 96 -3,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.757 111.4 57.8 -74.7 -26.8 -4.3 13.8 -3.7 42 169 A L H >X>S+ 0 0 8 -4,-1.6 5,-1.2 -3,-0.3 4,-1.2 0.974 111.3 42.2 -61.2 -55.4 -4.4 16.1 -0.7 43 170 A E H ><5S+ 0 0 123 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.943 109.9 57.7 -56.6 -50.7 -0.7 15.5 0.0 44 171 A K H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.781 119.4 31.9 -51.3 -29.0 0.2 15.8 -3.7 45 172 A A H <<5S- 0 0 58 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.472 105.7-134.0-106.8 -8.1 -1.4 19.3 -3.6 46 173 A G T <<5 + 0 0 27 -4,-1.2 -3,-0.2 -3,-1.0 3,-0.1 0.927 60.6 132.1 53.1 58.2 -0.4 20.0 0.0 47 174 A V >>< + 0 0 23 -5,-1.2 4,-1.8 1,-0.1 3,-0.8 0.037 23.9 117.5-122.3 24.9 -3.8 21.3 1.3 48 175 A E H 3> S+ 0 0 68 1,-0.3 4,-2.7 2,-0.2 -1,-0.1 0.794 75.5 55.0 -65.7 -29.5 -4.1 19.3 4.5 49 176 A H H 34 S+ 0 0 80 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.689 105.1 54.3 -73.4 -24.8 -4.0 22.5 6.6 50 177 A Q H X> S+ 0 0 47 -3,-0.8 4,-2.2 3,-0.1 3,-1.2 0.901 111.3 43.6 -69.2 -48.0 -6.9 23.8 4.5 51 178 A L H 3X S+ 0 0 24 -4,-1.8 4,-2.8 1,-0.3 -2,-0.2 0.925 111.8 55.0 -54.5 -49.0 -8.8 20.5 5.4 52 179 A R H 3< S+ 0 0 145 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 -0.047 110.9 45.3 -81.8 31.6 -7.5 21.2 8.9 53 180 A R H <> S+ 0 0 88 -3,-1.2 4,-1.3 95,-0.1 5,-0.3 0.312 108.4 53.9-134.6 -30.9 -9.1 24.6 8.7 54 181 A E H X S+ 0 0 11 -4,-2.2 4,-2.2 94,-0.2 5,-0.2 0.951 111.7 48.1 -63.3 -45.5 -12.4 23.4 7.3 55 182 A V H X S+ 0 0 23 -4,-2.8 4,-1.3 2,-0.2 5,-0.2 0.971 113.7 40.8 -65.3 -62.2 -12.7 20.9 10.2 56 183 A E H > S+ 0 0 32 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.926 121.0 43.3 -46.0 -56.4 -12.0 23.1 13.3 57 184 A I H X S+ 0 0 8 -4,-1.3 4,-1.6 1,-0.2 3,-0.5 0.932 112.6 47.9 -64.1 -50.8 -13.9 26.1 12.0 58 185 A Q H < S+ 0 0 1 -4,-2.2 11,-1.2 -5,-0.3 -1,-0.2 0.680 113.0 50.0 -68.2 -18.7 -17.1 24.4 10.6 59 186 A S H < S+ 0 0 30 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.752 112.3 45.8 -88.0 -28.2 -17.6 22.4 13.7 60 187 A H H < S+ 0 0 144 -4,-1.2 2,-0.4 -3,-0.5 -2,-0.2 0.645 97.6 80.8 -95.7 -14.3 -17.2 25.3 16.1 61 188 A L < - 0 0 9 -4,-1.6 2,-0.4 -5,-0.1 8,-0.2 -0.776 57.5-177.1 -86.3 133.5 -19.5 27.6 14.2 62 189 A R + 0 0 143 -2,-0.4 5,-0.1 6,-0.1 -3,-0.1 -0.977 23.9 131.5-130.8 120.1 -23.2 27.0 14.9 63 190 A H > - 0 0 41 -2,-0.4 3,-1.3 3,-0.4 -2,-0.0 -0.936 61.4-119.2-163.4 142.7 -25.6 29.2 12.9 64 191 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 78,-0.0 0.719 113.7 49.6 -60.6 -23.0 -28.8 28.4 10.9 65 192 A N T 3 S+ 0 0 15 47,-0.1 80,-2.1 79,-0.1 2,-0.4 0.015 97.4 78.2-106.8 24.0 -27.1 29.9 7.7 66 193 A I B < S-e 145 0B 2 -3,-1.3 -3,-0.4 78,-0.3 80,-0.2 -1.000 85.7-116.5-131.1 130.1 -23.8 28.0 7.9 67 194 A L - 0 0 4 78,-3.2 2,-0.4 -2,-0.4 -2,-0.1 -0.392 35.2-125.0 -66.9 144.8 -23.6 24.4 6.9 68 195 A R - 0 0 72 -4,-0.1 16,-3.3 -2,-0.0 2,-0.6 -0.768 11.8-152.2-100.3 135.4 -22.7 22.1 9.8 69 196 A L E -D 83 0A 5 -11,-1.2 14,-0.2 -2,-0.4 3,-0.1 -0.918 12.2-174.2 -98.7 117.7 -19.8 19.7 10.0 70 197 A Y E - 0 0 91 12,-3.0 2,-0.3 -2,-0.6 13,-0.2 0.828 52.5 -55.4 -86.3 -33.8 -20.7 16.9 12.4 71 198 A G E -D 82 0A 16 11,-1.0 11,-2.3 2,-0.0 2,-0.3 -0.960 48.3-134.2-178.8-171.8 -17.4 14.9 12.6 72 199 A Y E +D 81 0A 127 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.976 15.1 172.7-156.5 174.1 -14.7 13.1 10.6 73 200 A F E -D 80 0A 17 7,-1.5 7,-3.3 -2,-0.3 2,-0.3 -0.945 15.2-145.4-168.5 172.0 -12.6 9.9 10.3 74 201 A H E -D 79 0A 108 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.903 3.8-161.4-139.2 167.0 -10.1 8.4 7.9 75 202 A D - 0 0 48 3,-2.3 5,-0.0 -2,-0.3 -73,-0.0 -0.482 54.6 -65.9-122.6-155.3 -9.1 5.0 6.6 76 203 A A S S+ 0 0 96 -2,-0.2 -37,-0.0 1,-0.1 3,-0.0 0.983 130.0 15.7 -50.9 -59.5 -6.0 3.8 4.8 77 204 A T S S+ 0 0 60 -38,-0.1 -38,-2.0 1,-0.1 -37,-0.7 0.771 119.5 45.9 -99.5 -27.8 -6.7 5.8 1.7 78 205 A R E -C 38 0A 74 -40,-0.3 -3,-2.3 -39,-0.1 2,-0.4 -0.875 55.6-139.7-132.5 149.0 -9.3 8.5 2.4 79 206 A V E -CD 37 74A 14 -42,-3.7 -42,-3.0 -2,-0.3 2,-0.5 -0.925 24.4-154.4-105.8 135.0 -10.5 11.2 4.7 80 207 A Y E -CD 36 73A 4 -7,-3.3 -7,-1.5 -2,-0.4 2,-0.5 -0.946 7.8-162.9-119.3 113.5 -14.2 11.5 5.4 81 208 A L E -CD 35 72A 0 -46,-1.9 -46,-2.2 -2,-0.5 2,-0.9 -0.820 13.3-146.7 -89.7 125.1 -16.1 14.6 6.4 82 209 A I E -CD 34 71A 6 -11,-2.3 -12,-3.0 -2,-0.5 -11,-1.0 -0.796 31.0-177.3 -91.6 102.8 -19.6 14.1 7.9 83 210 A L E -CD 33 69A 16 -50,-3.2 -50,-2.2 -2,-0.9 -14,-0.2 -0.672 33.4-101.1-102.3 152.8 -21.6 17.1 6.8 84 211 A E - 0 0 32 -16,-3.3 2,-0.4 -2,-0.3 -52,-0.1 -0.365 46.2-121.9 -53.2 145.0 -25.1 18.5 7.2 85 212 A Y - 0 0 58 -54,-0.4 3,-0.1 -53,-0.1 -1,-0.1 -0.824 14.1-153.9-103.9 136.2 -27.2 17.7 4.1 86 213 A A > - 0 0 10 -2,-0.4 3,-2.1 1,-0.2 51,-0.3 -0.883 8.0-164.3-112.7 98.2 -28.8 20.5 2.1 87 214 A P T 3 S+ 0 0 60 0, 0.0 51,-0.2 0, 0.0 -1,-0.2 0.760 83.1 52.5 -62.9 -30.2 -31.8 18.8 0.4 88 215 A L T 3 S- 0 0 93 49,-1.3 50,-0.1 1,-0.3 6,-0.1 0.217 100.2-139.4 -96.6 11.6 -32.4 21.5 -2.2 89 216 A G < - 0 0 30 -3,-2.1 48,-2.8 48,-0.4 -1,-0.3 -0.148 41.8 -19.5 74.7-159.9 -28.8 21.6 -3.5 90 217 A T B > -F 136 0B 34 46,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.529 42.3-129.8 -95.0 156.5 -26.7 24.7 -4.5 91 218 A V H > S+ 0 0 0 44,-2.5 4,-1.3 41,-0.6 42,-0.2 0.764 111.5 64.4 -65.9 -28.0 -27.7 28.3 -5.3 92 219 A Y H > S+ 0 0 96 40,-1.0 4,-2.0 43,-0.4 -1,-0.2 0.893 103.4 43.0 -60.4 -46.5 -25.5 27.6 -8.4 93 220 A R H > S+ 0 0 142 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.869 112.5 54.7 -70.7 -35.1 -27.8 25.0 -9.7 94 221 A E H X S+ 0 0 19 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.787 108.0 49.3 -66.2 -26.1 -30.8 27.2 -8.9 95 222 A L H X S+ 0 0 10 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.912 109.8 49.3 -82.4 -45.9 -29.3 30.0 -10.9 96 223 A Q H < S+ 0 0 110 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.880 112.7 52.0 -52.0 -40.5 -28.7 27.8 -13.8 97 224 A K H < S+ 0 0 150 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.950 124.8 23.2 -65.1 -53.4 -32.3 26.7 -13.4 98 225 A L H < S- 0 0 73 -4,-2.4 2,-2.5 1,-0.1 -2,-0.2 0.421 91.9-142.2 -91.3 -2.2 -33.9 30.2 -13.3 99 226 A S S < S+ 0 0 83 -4,-2.2 2,-0.3 -5,-0.1 -1,-0.1 -0.218 80.0 10.2 61.9 -49.9 -31.0 32.0 -15.3 100 227 A K S S- 0 0 99 -2,-2.5 2,-0.3 -6,-0.1 93,-0.2 -0.947 80.4-122.3-139.8 170.3 -31.4 35.1 -13.0 101 228 A F - 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0 0 9 0, 0.0 3,-2.1 0, 0.0 -9,-0.1 -0.321 36.7-117.2 -63.1 145.0 -18.3 33.8 -31.7 458 328 B P T 3 S+ 0 0 1 0, 0.0 19,-0.2 0, 0.0 -10,-0.0 0.683 111.9 43.8 -69.4 -14.0 -14.8 32.7 -30.9 459 329 B F T 3 S+ 0 0 0 -35,-0.3 12,-0.2 17,-0.1 11,-0.1 0.332 77.8 145.6-107.9 8.4 -13.6 36.2 -30.0 460 330 B E < + 0 0 47 -3,-2.1 2,-0.2 -36,-0.1 -4,-0.0 -0.191 19.9 162.5 -46.2 122.8 -16.7 37.2 -28.0 461 331 B A - 0 0 21 -260,-0.1 -260,-0.1 -259,-0.0 -37,-0.1 -0.721 50.3-109.6-129.9-177.2 -15.5 39.4 -25.1 462 332 B N S S+ 0 0 92 -2,-0.2 2,-0.4 1,-0.1 -2,-0.1 0.626 97.2 43.1 -92.7 -14.0 -17.3 41.7 -22.8 463 333 B T S > S- 0 0 33 1,-0.1 4,-2.3 0, 0.0 5,-0.3 -0.971 73.4-128.8-137.4 146.9 -15.8 44.9 -24.4 464 334 B Y H > S+ 0 0 97 -2,-0.4 4,-1.4 1,-0.2 -1,-0.1 0.866 113.1 55.6 -51.2 -35.0 -15.1 46.3 -27.8 465 335 B Q H > S+ 0 0 135 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.938 110.3 41.3 -72.4 -48.1 -11.6 46.9 -26.5 466 336 B E H >> S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.974 110.0 56.0 -58.8 -61.9 -10.9 43.3 -25.4 467 337 B T H 3X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.813 103.7 59.3 -35.8 -39.9 -12.5 41.7 -28.5 468 338 B Y H 3X S+ 0 0 76 -4,-1.4 4,-2.5 -5,-0.3 -1,-0.2 0.941 108.8 41.2 -62.5 -53.0 -10.0 43.9 -30.4 469 339 B K H S+ 0 0 19 -4,-2.4 5,-2.2 1,-0.2 4,-0.9 0.829 112.3 44.6 -47.8 -40.6 -8.6 38.8 -28.9 471 341 B I H <5S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.3 3,-0.2 0.952 114.1 47.3 -66.7 -51.0 -9.0 39.3 -32.7 472 342 B S H <5S+ 0 0 20 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.949 119.0 40.5 -56.8 -52.2 -5.5 40.7 -33.4 473 343 B R H <5S- 0 0 158 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.691 105.2-134.0 -66.4 -20.3 -3.8 38.0 -31.3 474 344 B V T <5 + 0 0 33 -4,-0.9 2,-0.9 -5,-0.4 -3,-0.2 0.915 42.2 169.9 61.3 45.6 -6.2 35.4 -32.8 475 345 B E < + 0 0 60 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.787 11.7 126.7 -95.6 107.3 -6.8 33.9 -29.4 476 346 B F - 0 0 37 -2,-0.9 2,-0.3 -5,-0.0 -17,-0.1 -0.987 34.5-155.8-145.8 152.6 -9.7 31.4 -29.2 477 347 B T - 0 0 111 -2,-0.3 -2,-0.0 -19,-0.2 0, 0.0 -0.877 18.6-119.6-123.8 163.0 -10.1 27.9 -27.9 478 348 B F - 0 0 34 -2,-0.3 2,-0.0 4,-0.1 -2,-0.0 -0.793 22.8-123.8 -97.7 132.3 -12.6 25.1 -28.7 479 349 B P > - 0 0 42 0, 0.0 3,-1.9 0, 0.0 -1,-0.0 -0.404 38.2-102.5 -67.6 162.7 -14.9 23.5 -26.2 480 350 B D T 3 S+ 0 0 154 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.818 114.0 66.5 -59.1 -38.0 -14.4 19.7 -26.0 481 351 B F T 3 S+ 0 0 111 2,-0.0 2,-0.7 -27,-0.0 -1,-0.3 0.510 72.7 109.0 -62.6 -6.4 -17.4 18.7 -28.0 482 352 B V S < S- 0 0 8 -3,-1.9 -4,-0.1 1,-0.1 5,-0.0 -0.649 71.2-128.4 -83.6 112.9 -16.0 20.2 -31.2 483 353 B T > - 0 0 55 -2,-0.7 4,-1.9 1,-0.1 3,-0.4 -0.120 19.5-111.0 -56.9 153.7 -15.0 17.4 -33.6 484 354 B E H > S+ 0 0 151 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.688 112.9 57.9 -64.2 -25.5 -11.6 17.3 -35.1 485 355 B G H > S+ 0 0 23 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.909 106.4 46.9 -73.0 -44.3 -12.8 18.0 -38.7 486 356 B A H > S+ 0 0 0 -3,-0.4 4,-3.1 2,-0.2 5,-0.4 0.967 110.2 53.4 -59.6 -55.0 -14.5 21.3 -37.7 487 357 B R H X S+ 0 0 61 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.908 108.2 53.0 -43.9 -44.8 -11.4 22.4 -35.8 488 358 B D H X S+ 0 0 66 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.972 112.6 41.3 -60.0 -50.5 -9.4 21.7 -38.9 489 359 B L H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.912 119.8 43.2 -64.8 -43.6 -11.7 23.9 -41.1 490 360 B I H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.885 110.6 55.4 -72.2 -38.7 -12.0 26.7 -38.6 491 361 B S H < S+ 0 0 55 -4,-2.9 -1,-0.2 -5,-0.4 -2,-0.2 0.871 113.0 44.0 -60.1 -34.7 -8.4 26.6 -37.7 492 362 B R H >< S+ 0 0 126 -4,-1.7 3,-0.5 -5,-0.3 -2,-0.2 0.830 112.1 50.6 -79.2 -40.0 -7.6 27.0 -41.4 493 363 B L H 3< S+ 0 0 0 -4,-2.2 2,-0.4 1,-0.2 -47,-0.2 0.734 105.1 59.9 -67.8 -29.6 -10.2 29.7 -42.1 494 364 B L T 3< S+ 0 0 4 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.2 -0.299 70.3 139.9-103.9 49.4 -9.0 31.9 -39.2 495 365 B K < - 0 0 78 -3,-0.5 6,-0.2 -2,-0.4 -21,-0.1 -0.689 50.4-138.0 -87.5 145.1 -5.3 32.6 -40.0 496 366 B H S S+ 0 0 65 -2,-0.3 -67,-0.2 -23,-0.1 -1,-0.2 1.000 91.3 70.8 -61.6 -68.2 -3.8 36.0 -39.4 497 367 B N S >> S- 0 0 64 1,-0.2 3,-1.5 2,-0.1 4,-0.7 -0.268 82.9-145.2 -51.8 113.2 -1.9 36.2 -42.7 498 368 B P G >4 S+ 0 0 36 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.890 93.3 56.0 -47.6 -47.3 -4.8 36.7 -45.2 499 369 B S G 34 S+ 0 0 92 1,-0.3 -2,-0.1 -3,-0.0 -3,-0.0 0.643 94.7 68.4 -70.9 -13.8 -3.2 34.6 -48.0 500 370 B Q G <4 S+ 0 0 106 -3,-1.5 -1,-0.3 -5,-0.0 -3,-0.1 0.834 80.7 99.0 -67.2 -34.2 -2.9 31.6 -45.8 501 371 B R S << S- 0 0 6 -3,-1.5 -8,-0.2 -4,-0.7 -58,-0.1 -0.190 80.4-112.0 -50.5 141.3 -6.7 31.3 -45.8 502 372 B P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.061 27.1-109.3 -67.2 176.0 -8.2 28.8 -48.1 503 373 B M > - 0 0 90 1,-0.1 4,-1.9 -61,-0.0 3,-0.4 -0.685 31.6-104.9-102.7 166.0 -10.3 29.5 -51.2 504 374 B L H > S+ 0 0 14 1,-0.3 4,-2.9 -2,-0.2 5,-0.2 0.837 121.1 54.5 -64.0 -37.2 -14.0 28.8 -51.4 505 375 B R H > S+ 0 0 126 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.863 108.5 50.7 -62.0 -38.8 -13.5 25.8 -53.7 506 376 B E H > S+ 0 0 78 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.870 111.0 48.2 -65.6 -38.7 -11.1 24.4 -51.0 507 377 B V H < S+ 0 0 1 -4,-1.9 6,-0.3 2,-0.2 -2,-0.2 0.947 108.4 53.2 -64.9 -48.2 -13.8 25.0 -48.3 508 378 B L H < S+ 0 0 47 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.756 116.8 41.1 -58.4 -25.3 -16.5 23.4 -50.4 509 379 B E H <>S+ 0 0 109 -4,-1.0 5,-0.5 -5,-0.2 -2,-0.2 0.903 78.2 126.0 -85.9 -48.5 -14.2 20.4 -50.6 510 380 B H T >X5S- 0 0 15 -4,-2.9 3,-2.4 3,-0.1 4,-1.1 0.265 71.6-120.3 -23.3 117.1 -12.8 20.2 -47.1 511 381 B P H 3>5S+ 0 0 98 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.735 108.7 54.9 -38.7 -53.1 -13.5 16.6 -46.1 512 382 B W H 3>5S+ 0 0 17 1,-0.3 4,-0.6 2,-0.2 -2,-0.1 0.768 105.4 51.3 -51.2 -40.5 -15.7 17.7 -43.1 513 383 B I H X>5S+ 0 0 2 -3,-2.4 4,-2.2 -6,-0.3 3,-1.2 0.951 111.9 46.4 -63.4 -48.0 -18.0 19.8 -45.1 514 384 B T H 3<