==== 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 3UOH . COMPND 2 MOLECULE: AURORA KINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.MARTIN,J.-Y.ZHU,E.SCHONBRUNN . 528 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 65.2 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 . 74 14.0 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 0 6 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 . 2 2 2 0 6 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 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 1 126 A R 0 0 281 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-110.6 14.5 42.1 6.7 2 127 A Q - 0 0 167 71,-0.0 2,-0.1 2,-0.0 73,-0.1 -0.920 360.0-162.6-134.5 114.9 14.4 40.2 3.4 3 128 A W - 0 0 101 -2,-0.4 2,-0.3 71,-0.2 73,-0.2 -0.340 5.2-167.6 -80.1 164.6 15.7 36.6 3.3 4 129 A A > - 0 0 48 71,-0.1 3,-2.9 -2,-0.1 4,-0.2 -0.964 41.0 -97.1-148.2 163.9 16.8 34.4 0.4 5 130 A L G > S+ 0 0 41 1,-0.3 3,-1.7 -2,-0.3 72,-0.0 0.750 115.7 68.3 -51.0 -29.2 17.5 30.7 0.1 6 131 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.564 85.9 69.4 -71.2 -7.6 21.2 31.2 0.5 7 132 A D G < S+ 0 0 55 -3,-2.9 21,-2.7 20,-0.1 2,-0.4 0.424 95.5 70.6 -85.0 1.0 20.7 32.2 4.2 8 133 A F E < -A 27 0A 10 -3,-1.7 2,-0.4 19,-0.2 19,-0.2 -0.954 67.5-143.4-129.8 135.9 19.8 28.7 5.1 9 134 A E E -A 26 0A 95 17,-2.6 17,-1.6 -2,-0.4 2,-0.5 -0.753 30.2-138.9 -84.7 142.2 21.4 25.3 5.4 10 135 A I E +A 25 0A 83 -2,-0.4 15,-0.3 15,-0.2 2,-0.1 -0.902 22.8 178.3-113.3 129.3 19.1 22.5 4.2 11 136 A G E - 0 0 36 13,-4.2 -1,-0.0 -2,-0.5 3,-0.0 0.039 47.7 -38.8-100.5-150.2 18.7 19.2 6.0 12 137 A R E - 0 0 151 11,-0.1 12,-3.2 1,-0.1 2,-0.5 -0.256 67.4 -95.4 -67.0 159.6 16.4 16.3 5.1 13 138 A P E -A 23 0A 51 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.743 30.2-165.1 -71.3 127.6 12.8 16.7 3.9 14 139 A L E S- 0 0 35 8,-2.7 2,-0.3 -2,-0.5 9,-0.2 0.872 74.6 -4.6 -80.1 -39.9 10.5 16.5 6.9 15 140 A G E -A 22 0A 6 7,-1.5 7,-2.5 141,-0.1 2,-0.5 -0.988 63.3-139.3-152.0 155.7 7.5 16.0 4.6 16 141 A K E -AB 21 155A 122 139,-1.8 139,-1.3 -2,-0.3 5,-0.2 -0.974 23.4-177.0-122.7 122.8 6.7 16.0 0.9 17 142 A G E - B 0 154A 19 3,-2.6 137,-0.2 -2,-0.5 136,-0.2 -0.365 40.6-104.6-105.7-175.7 3.6 17.6 -0.4 18 143 A K S S+ 0 0 172 135,-0.6 135,-0.1 134,-0.2 3,-0.1 0.740 123.4 38.7 -81.4 -27.3 2.0 18.0 -3.8 19 144 A F S S- 0 0 10 133,-0.4 21,-3.1 1,-0.3 22,-0.3 0.413 133.4 -61.2 -98.8 -1.2 3.0 21.6 -4.2 20 145 A G - 0 0 7 19,-0.2 -3,-2.6 132,-0.1 -1,-0.3 -0.883 58.5 -70.0 148.2-174.1 6.4 21.0 -2.6 21 146 A N E -A 16 0A 19 17,-0.3 17,-2.8 -2,-0.3 2,-0.6 -0.752 22.5-132.4-116.3 155.7 8.3 19.9 0.5 22 147 A V E -AC 15 37A 14 -7,-2.5 -8,-2.7 -2,-0.3 -7,-1.5 -0.933 32.8-162.9-101.2 122.5 9.1 21.1 4.0 23 148 A Y E -AC 13 36A 60 13,-2.7 13,-2.9 -2,-0.6 2,-0.2 -0.806 24.4-112.7-109.3 149.0 12.8 20.7 4.7 24 149 A L E + C 0 35A 37 -12,-3.2 -13,-4.2 -2,-0.3 2,-0.3 -0.576 54.4 163.4 -67.1 138.9 14.7 20.8 7.9 25 150 A A E -AC 10 34A 3 9,-2.1 9,-3.0 -15,-0.3 2,-0.3 -0.964 30.0-155.2-155.1 163.9 16.8 24.0 7.9 26 151 A R E -AC 9 33A 85 -17,-1.6 -17,-2.6 7,-0.3 7,-0.3 -0.979 32.2-108.2-148.0 141.5 18.9 26.4 9.9 27 152 A E E > -A 8 0A 29 5,-2.4 4,-1.3 -2,-0.3 5,-0.3 -0.454 36.7-128.1 -62.6 139.3 19.8 30.1 9.5 28 153 A K T 4 S+ 0 0 100 -21,-2.7 -1,-0.1 2,-0.2 -20,-0.1 0.856 97.6 36.0 -67.9 -40.5 23.5 30.1 8.5 29 154 A Q T 4 S+ 0 0 162 -22,-0.2 -1,-0.1 1,-0.2 -21,-0.0 0.988 124.8 37.1 -74.8 -65.6 24.8 32.6 11.1 30 155 A S T 4 S- 0 0 71 1,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.701 93.8-142.4 -58.9 -21.0 22.7 31.8 14.2 31 156 A K < + 0 0 150 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.753 46.1 159.6 60.4 22.4 22.8 28.2 13.2 32 157 A F - 0 0 109 -5,-0.3 -5,-2.4 1,-0.1 -1,-0.2 -0.657 37.7-126.1 -86.6 128.7 19.3 28.3 14.5 33 158 A I E +C 26 0A 50 -2,-0.4 54,-0.4 -7,-0.3 -7,-0.3 -0.456 40.5 147.2 -79.0 139.1 17.0 25.5 13.3 34 159 A L E -C 25 0A 8 -9,-3.0 -9,-2.1 -2,-0.2 2,-0.4 -0.824 45.1 -98.3-146.8-173.6 13.6 26.1 11.5 35 160 A A E -CD 24 85A 4 50,-2.0 50,-3.1 -2,-0.2 2,-0.7 -0.973 26.2-152.8-117.5 134.7 11.5 24.5 8.9 36 161 A L E -CD 23 84A 1 -13,-2.9 -13,-2.7 -2,-0.4 2,-0.5 -0.898 3.5-156.3-110.2 110.1 11.5 25.7 5.3 37 162 A K E -CD 22 83A 14 46,-2.5 46,-2.2 -2,-0.7 2,-0.6 -0.713 11.7-159.5 -82.2 126.4 8.3 25.1 3.3 38 163 A V E - D 0 82A 5 -17,-2.8 2,-0.5 -2,-0.5 -17,-0.3 -0.930 5.4-167.2-115.0 118.4 9.1 25.1 -0.4 39 164 A L E - D 0 81A 4 42,-3.2 42,-2.5 -2,-0.6 -19,-0.2 -0.909 15.3-152.5-114.0 118.6 6.3 25.8 -2.9 40 165 A F - 0 0 83 -21,-3.1 2,-0.3 -2,-0.5 -1,-0.1 0.767 16.5-165.1 -61.9 -35.3 6.8 25.0 -6.6 41 166 A K S > S+ 0 0 45 -22,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.232 77.6 78.4 72.7 -17.6 4.3 27.7 -7.8 42 167 A A H > S+ 0 0 54 -2,-0.3 4,-1.0 37,-0.3 -1,-0.2 0.751 100.1 44.7 -80.9 -31.7 4.2 26.2 -11.3 43 168 A Q H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 6,-0.2 0.683 106.8 62.2 -77.0 -22.0 1.9 23.7 -9.6 44 169 A L H >>S+ 0 0 2 2,-0.2 5,-1.5 1,-0.1 4,-0.9 0.892 96.0 58.0 -72.5 -39.8 0.3 26.7 -7.8 45 170 A E H ><5S+ 0 0 101 -4,-1.1 3,-1.8 2,-0.2 -2,-0.2 0.979 108.9 44.2 -50.1 -65.2 -0.9 28.2 -11.1 46 171 A K H 3<5S+ 0 0 128 -4,-1.0 402,-0.7 1,-0.3 -2,-0.2 0.937 110.2 52.8 -44.6 -62.8 -2.8 25.0 -12.1 47 172 A A H 3<5S- 0 0 11 -4,-1.8 -1,-0.3 400,-0.2 399,-0.2 0.670 114.0-125.0 -54.1 -15.9 -4.4 24.6 -8.6 48 173 A G T <<5S+ 0 0 11 -3,-1.8 2,-0.7 -4,-0.9 345,-0.2 0.488 70.3 122.4 88.8 5.0 -5.4 28.2 -9.1 49 174 A V < + 0 0 13 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.879 20.3 102.3-111.0 108.7 -3.8 29.5 -6.0 50 175 A E S >> S+ 0 0 31 -2,-0.7 4,-1.7 341,-0.2 3,-1.4 0.309 82.1 35.0-132.1 -71.3 -1.2 32.2 -5.9 51 176 A H H 3> S+ 0 0 65 1,-0.3 4,-0.9 2,-0.2 5,-0.1 0.796 114.7 57.5 -63.3 -31.6 -2.3 35.7 -4.9 52 177 A Q H 3> S+ 0 0 55 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.705 107.5 49.8 -71.9 -19.8 -4.8 34.5 -2.4 53 178 A L H <> S+ 0 0 7 -3,-1.4 4,-2.3 2,-0.2 5,-0.3 0.854 103.4 60.1 -77.7 -38.6 -1.9 32.7 -0.8 54 179 A R H < S+ 0 0 85 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.1 0.680 107.1 45.6 -70.0 -18.6 0.1 35.9 -0.8 55 180 A R H >X S+ 0 0 75 -4,-0.9 4,-1.6 2,-0.1 3,-0.9 0.845 110.7 54.6 -80.7 -40.7 -2.5 37.6 1.3 56 181 A E H 3X>S+ 0 0 69 -4,-1.0 4,-4.0 1,-0.3 5,-0.5 0.919 96.2 60.9 -55.6 -55.2 -2.7 34.6 3.8 57 182 A V H 3X5S+ 0 0 3 -4,-2.3 4,-0.9 1,-0.3 -1,-0.3 0.773 109.2 48.3 -56.2 -19.6 0.9 34.4 4.6 58 183 A E H <>5S+ 0 0 76 -3,-0.9 4,-0.9 -5,-0.3 -1,-0.3 0.866 110.7 47.9 -80.6 -43.1 0.2 37.9 5.9 59 184 A I H <5S+ 0 0 34 -4,-1.6 -2,-0.2 1,-0.2 3,-0.2 0.856 118.8 41.4 -65.0 -34.8 -2.9 36.8 7.8 60 185 A Q H ><5S+ 0 0 6 -4,-4.0 3,-1.9 1,-0.2 11,-0.4 0.806 103.9 68.0 -78.7 -32.0 -0.9 33.9 9.3 61 186 A S H 3< - 0 0 40 -2,-0.6 3,-0.7 3,-0.4 5,-0.1 -0.991 54.6-132.6-147.4 147.7 0.0 31.4 19.8 66 191 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.831 111.9 46.7 -62.3 -34.5 1.9 28.6 21.6 67 192 A N T 3 S+ 0 0 13 47,-0.1 80,-3.1 79,-0.1 2,-0.4 0.400 102.5 74.4 -94.7 4.3 -0.4 26.0 20.1 68 193 A I B < S-f 147 0B 6 -3,-0.7 2,-0.4 78,-0.3 -3,-0.4 -0.951 89.0-115.5-112.4 137.2 -0.1 27.4 16.5 69 194 A L - 0 0 12 78,-2.8 2,-0.2 -2,-0.4 -6,-0.1 -0.568 36.9-127.4 -71.0 122.2 3.0 27.0 14.4 70 195 A R - 0 0 83 -2,-0.4 16,-1.5 -4,-0.1 2,-0.8 -0.480 6.5-141.9 -78.4 135.9 4.5 30.4 13.8 71 196 A L E -E 85 0A 2 -11,-0.4 14,-0.2 -8,-0.3 3,-0.1 -0.873 16.9-172.3 -93.4 109.7 5.3 31.7 10.3 72 197 A Y E - 0 0 86 12,-2.1 2,-0.3 -2,-0.8 -1,-0.2 0.970 56.0 -43.0 -67.2 -56.6 8.5 33.6 10.7 73 198 A G E -E 84 0A 16 11,-0.9 11,-3.7 2,-0.0 2,-0.3 -0.929 50.6-132.8-161.5-179.2 8.8 35.1 7.3 74 199 A Y E +E 83 0A 79 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 21.0 162.4-149.8 146.6 8.4 34.4 3.6 75 200 A F E -E 82 0A 11 7,-2.0 7,-3.5 -2,-0.3 2,-0.3 -0.912 16.8-149.0-149.7 178.6 10.3 35.0 0.3 76 201 A H E -E 81 0A 101 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.977 7.8-169.0-150.6 158.8 10.5 33.8 -3.3 77 202 A D - 0 0 77 3,-1.6 -1,-0.1 -2,-0.3 4,-0.1 0.719 63.8 -68.4-113.3 -79.0 13.2 33.5 -5.9 78 203 A A S S+ 0 0 69 2,-0.1 0, 0.0 3,-0.0 0, 0.0 0.220 124.5 23.3-134.6 -65.5 11.7 32.7 -9.3 79 204 A T S S+ 0 0 87 -3,-0.1 2,-0.4 -37,-0.0 -37,-0.3 0.369 117.7 56.0 -90.4 1.6 10.2 29.3 -9.4 80 205 A R - 0 0 78 -39,-0.1 -3,-1.6 -38,-0.1 2,-0.4 -0.993 58.0-150.2-141.9 142.7 9.5 28.8 -5.7 81 206 A V E -DE 39 76A 9 -42,-2.5 -42,-3.2 -2,-0.4 2,-0.5 -0.913 22.6-155.0-103.7 139.3 7.8 30.4 -2.7 82 207 A Y E -DE 38 75A 0 -7,-3.5 -7,-2.0 -2,-0.4 2,-0.6 -0.962 7.9-160.9-122.4 123.4 9.4 29.8 0.7 83 208 A L E -DE 37 74A 1 -46,-2.2 -46,-2.5 -2,-0.5 2,-0.7 -0.895 15.7-143.3 -97.5 125.2 7.6 29.9 4.0 84 209 A I E -DE 36 73A 4 -11,-3.7 -12,-2.1 -2,-0.6 -11,-0.9 -0.812 33.9-175.6 -90.0 116.8 10.0 30.3 6.9 85 210 A L E -DE 35 71A 10 -50,-3.1 -50,-2.0 -2,-0.7 2,-0.2 -0.677 31.8-102.5-120.0 160.8 8.5 28.2 9.7 86 211 A E - 0 0 31 -16,-1.5 2,-0.5 -2,-0.2 -52,-0.1 -0.578 42.7-122.6 -72.2 140.5 8.9 27.2 13.3 87 212 A Y - 0 0 62 -54,-0.4 -17,-0.1 -2,-0.2 -1,-0.0 -0.767 16.7-159.4 -87.8 130.2 10.4 23.7 13.7 88 213 A A > - 0 0 9 -2,-0.5 3,-1.3 1,-0.1 51,-0.2 -0.910 7.7-163.2-109.6 104.9 8.4 21.2 15.6 89 214 A P T 3 S+ 0 0 67 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.742 79.2 51.7 -60.7 -34.9 11.0 18.6 16.7 90 215 A L T 3 S- 0 0 66 49,-1.9 50,-0.1 1,-0.3 2,-0.1 0.461 94.8-147.5 -95.8 -1.0 8.7 15.7 17.6 91 216 A G < - 0 0 18 -3,-1.3 48,-2.3 48,-0.5 2,-0.3 -0.401 41.5 -0.9 83.1-146.8 6.7 15.5 14.4 92 217 A T B >> -G 138 0B 29 46,-0.2 4,-1.6 -2,-0.1 3,-0.5 -0.596 43.2-138.5 -97.0 143.5 3.1 14.6 13.8 93 218 A V H 3> S+ 0 0 0 44,-1.8 4,-2.6 41,-0.8 42,-0.2 0.695 106.5 66.2 -65.7 -17.1 0.4 13.4 16.2 94 219 A Y H 3> S+ 0 0 48 40,-0.8 4,-1.3 43,-0.4 -1,-0.2 0.873 98.2 47.2 -73.0 -41.2 -0.4 11.0 13.4 95 220 A R H <> S+ 0 0 118 -3,-0.5 4,-2.5 2,-0.2 3,-0.2 0.927 114.2 50.6 -61.7 -43.2 2.9 9.1 13.7 96 221 A E H X S+ 0 0 29 -4,-1.6 4,-2.4 1,-0.3 5,-0.5 0.928 106.4 52.0 -61.9 -47.6 2.2 9.0 17.4 97 222 A L H X S+ 0 0 12 -4,-2.6 4,-0.7 1,-0.2 -1,-0.3 0.789 110.8 50.5 -61.2 -26.7 -1.3 7.7 17.0 98 223 A Q H < S+ 0 0 73 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.919 111.7 49.0 -72.0 -45.2 0.3 5.0 14.9 99 224 A K H < S+ 0 0 131 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.981 123.4 26.2 -55.4 -68.3 2.8 4.3 17.6 100 225 A L H < S- 0 0 90 -4,-2.4 -1,-0.2 1,-0.1 -3,-0.2 0.619 94.0-137.4 -78.3 -14.8 0.5 4.0 20.6 101 226 A S S < S+ 0 0 78 -4,-0.7 2,-0.2 -5,-0.5 -4,-0.1 0.225 79.1 5.8 74.7 -15.2 -2.5 2.9 18.6 102 227 A K S S- 0 0 97 -6,-0.2 96,-0.2 98,-0.1 2,-0.1 -0.885 74.3-120.7 178.2 161.7 -4.6 5.2 20.7 103 228 A F - 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0 0 8 0, 0.0 3,-1.2 0, 0.0 -9,-0.1 -0.415 33.5-116.7 -73.3 155.0 -29.6 18.3 -13.3 468 328 B P T 3 S+ 0 0 6 0, 0.0 19,-0.3 0, 0.0 -34,-0.0 0.715 110.4 44.7 -69.3 -25.6 -28.2 14.7 -13.9 469 329 B F T 3 S+ 0 0 0 -35,-0.2 11,-0.2 17,-0.1 12,-0.2 0.358 77.6 144.0 -99.2 4.3 -27.6 13.8 -10.3 470 330 B E < + 0 0 83 -3,-1.2 2,-0.3 10,-0.1 -39,-0.1 -0.076 19.0 154.5 -49.9 138.3 -30.9 15.1 -8.8 471 331 B A - 0 0 27 1,-0.0 6,-0.1 9,-0.0 -37,-0.1 -0.966 53.3-114.9-160.4 160.1 -32.2 12.9 -6.0 472 332 B N S S+ 0 0 163 -2,-0.3 2,-0.4 4,-0.0 -2,-0.1 0.679 99.1 53.6 -75.2 -17.2 -34.5 13.3 -2.9 473 333 B T S > S- 0 0 61 1,-0.1 4,-2.2 -3,-0.0 3,-0.2 -0.946 75.8-135.4-122.6 142.9 -31.6 12.5 -0.5 474 334 B Y H > S+ 0 0 57 -2,-0.4 4,-2.3 1,-0.2 -1,-0.1 0.859 105.5 52.1 -57.1 -42.4 -28.2 14.2 -0.2 475 335 B Q H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.838 109.3 49.2 -69.9 -33.4 -26.3 10.9 0.2 476 336 B E H > S+ 0 0 57 2,-0.2 4,-2.2 -3,-0.2 5,-0.2 0.897 108.5 52.7 -72.4 -41.6 -27.9 9.5 -3.0 477 337 B T H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.948 110.8 49.4 -53.8 -47.8 -27.0 12.6 -4.9 478 338 B Y H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.4 0.919 105.7 58.0 -54.2 -47.4 -23.5 12.1 -3.6 479 339 B K H X S+ 0 0 39 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.934 110.8 40.4 -48.7 -54.3 -23.7 8.4 -4.8 480 340 B R H <>S+ 0 0 74 -4,-2.2 5,-2.9 2,-0.2 -1,-0.2 0.858 115.1 51.7 -71.1 -38.4 -24.3 9.3 -8.4 481 341 B I H ><5S+ 0 0 0 -4,-2.3 3,-2.2 3,-0.2 -2,-0.2 0.996 115.2 39.3 -57.5 -66.4 -21.9 12.2 -8.5 482 342 B S H 3<5S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.817 122.9 42.8 -54.7 -37.3 -18.9 10.3 -7.1 483 343 B R T 3<5S- 0 0 125 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.323 107.1-130.7 -91.4 4.5 -19.9 7.3 -9.1 484 344 B V T < 5 + 0 0 37 -3,-2.2 2,-0.8 1,-0.2 -3,-0.2 0.875 45.8 166.6 46.5 50.0 -20.6 9.5 -12.1 485 345 B E < + 0 0 76 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.841 10.8 133.2-100.4 109.0 -24.0 7.7 -12.6 486 346 B F - 0 0 40 -2,-0.8 2,-0.2 -3,-0.1 -17,-0.1 -0.982 30.9-162.5-155.0 145.9 -26.3 9.6 -14.9 487 347 B T - 0 0 108 -19,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.556 16.5-122.9-115.8-177.2 -28.5 8.9 -17.9 488 348 B F - 0 0 46 -2,-0.2 2,-0.1 4,-0.0 -28,-0.0 -0.967 20.2-118.4-126.4 145.4 -30.1 10.8 -20.7 489 349 B P > - 0 0 38 0, 0.0 3,-1.5 0, 0.0 -25,-0.0 -0.457 42.8-103.5 -69.7 160.5 -33.8 11.2 -21.8 490 350 B D T 3 S+ 0 0 161 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.606 112.7 67.1 -67.6 -12.6 -34.3 9.9 -25.3 491 351 B F T 3 S+ 0 0 110 2,-0.1 2,-0.7 -28,-0.0 -1,-0.3 0.502 71.1 110.8 -88.7 -1.7 -34.5 13.3 -26.9 492 352 B V < - 0 0 5 -3,-1.5 5,-0.1 1,-0.1 -4,-0.0 -0.616 68.1-128.8 -84.2 116.4 -30.9 14.3 -26.3 493 353 B T > - 0 0 56 -2,-0.7 4,-1.8 1,-0.1 3,-0.1 -0.194 17.9-123.9 -60.0 157.8 -28.8 14.5 -29.4 494 354 B E H > S+ 0 0 135 2,-0.3 4,-3.1 1,-0.2 -1,-0.1 0.591 107.8 64.9 -89.6 -14.9 -25.7 12.6 -29.2 495 355 B G H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.819 108.1 48.0 -71.3 -32.4 -23.3 15.5 -30.0 496 356 B A H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.962 110.3 50.4 -63.8 -55.2 -24.8 16.7 -26.7 497 357 B R H X S+ 0 0 59 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.915 110.5 49.8 -47.7 -51.2 -24.2 13.3 -25.2 498 358 B D H X S+ 0 0 69 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.968 113.4 44.9 -55.1 -55.7 -20.6 13.3 -26.4 499 359 B L H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.916 117.8 42.9 -56.2 -50.5 -19.9 16.8 -25.0 500 360 B I H X S+ 0 0 1 -4,-3.2 4,-2.9 2,-0.2 -1,-0.2 0.948 114.4 50.5 -61.6 -50.4 -21.6 16.2 -21.6 501 361 B S H < S+ 0 0 41 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.889 113.6 46.0 -54.8 -43.6 -20.0 12.7 -21.3 502 362 B R H < S+ 0 0 103 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.866 113.2 50.4 -68.5 -36.3 -16.6 14.2 -22.0 503 363 B L H < S+ 0 0 0 -4,-2.3 2,-1.0 -5,-0.3 -2,-0.2 0.876 103.6 62.5 -69.6 -37.2 -17.2 17.0 -19.7 504 364 B L < + 0 0 4 -4,-2.9 2,-0.4 -5,-0.1 -1,-0.2 -0.738 67.1 142.9-101.5 102.1 -18.3 14.8 -16.8 505 365 B K - 0 0 69 -2,-1.0 6,-0.1 1,-0.1 -21,-0.1 -0.978 54.2-134.7-137.5 139.8 -15.5 12.6 -15.7 506 366 B H S S+ 0 0 78 -2,-0.4 -67,-0.2 -68,-0.1 -1,-0.1 0.919 98.5 68.4 -61.8 -37.1 -14.4 11.4 -12.3 507 367 B N S > S- 0 0 81 1,-0.2 4,-0.5 -3,-0.1 3,-0.3 -0.672 72.9-155.0 -83.9 113.2 -10.8 12.2 -13.4 508 368 B P T >4 S+ 0 0 26 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.934 95.2 60.9 -50.8 -40.7 -10.3 15.9 -13.8 509 369 B S T 34 S+ 0 0 81 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.866 97.2 56.9 -51.8 -46.4 -7.4 15.0 -16.2 510 370 B Q T 34 S+ 0 0 122 -3,-0.3 -1,-0.3 2,-0.0 -4,-0.1 0.627 91.2 95.9 -65.8 -11.2 -9.8 13.2 -18.6 511 371 B R S << S- 0 0 4 -3,-1.9 -8,-0.2 -4,-0.5 -58,-0.1 -0.525 81.4-105.1 -82.6 148.5 -11.9 16.4 -18.9 512 372 B P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.155 21.8-117.9 -65.3 156.8 -11.3 18.9 -21.8 513 373 B M > - 0 0 103 1,-0.1 4,-1.0 -61,-0.0 3,-0.3 -0.616 44.2-100.4 -78.2 159.7 -9.6 22.2 -21.7 514 374 B L H > S+ 0 0 15 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.747 116.0 70.6 -61.0 -24.7 -12.1 24.9 -22.6 515 375 B R H > S+ 0 0 164 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.976 98.8 43.1 -50.9 -68.2 -10.7 25.0 -26.2 516 376 B E H > S+ 0 0 91 -3,-0.3 4,-0.8 1,-0.3 -1,-0.2 0.710 110.7 59.3 -59.4 -22.9 -12.1 21.7 -27.4 517 377 B V H >< S+ 0 0 1 -4,-1.0 3,-0.6 2,-0.2 -1,-0.3 0.965 112.8 37.1 -63.4 -55.7 -15.3 22.5 -25.6 518 378 B L H 3< S+ 0 0 47 -4,-2.5 -2,-0.2 -3,-0.3 -3,-0.2 0.825 120.2 49.5 -63.8 -33.0 -15.6 25.6 -27.8 519 379 B E H 3< S+ 0 0 132 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.627 83.8 127.7 -79.4 -13.8 -14.2 23.6 -30.7 520 380 B H S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.876 108.1 46.9 -47.5 -46.9 -18.6 19.7 -33.3 522 382 B W H > S+ 0 0 15 -27,-0.2 4,-2.0 2,-0.2 5,-0.1 0.857 112.3 50.3 -72.4 -36.2 -21.9 20.0 -31.6 523 383 B I H > S+ 0 0 3 -6,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.995 111.2 47.4 -56.8 -65.0 -21.1 23.4 -30.1 524 384 B T H < S+ 0 0 80 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.858 112.1 53.4 -47.4 -45.9 -20.0 24.9 -33.4 525 385 B A H < S+ 0 0 73 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.982 122.1 22.9 -49.5 -69.2 -23.1 23.5 -35.1 526 386 B N H < S+ 0 0 34 -4,-2.0 2,-0.5 -5,-0.1 -151,-0.2 0.390 93.8 112.5 -91.1 1.4 -25.8 24.9 -32.8 527 387 B S < - 0 0 26 -4,-2.0 -156,-0.1 -153,-0.2 -155,-0.1 -0.657 50.9-159.1 -84.8 122.3 -24.0 27.9 -31.2 528 388 B S 0 0 85 -157,-0.6 -1,-0.1 -2,-0.5 -153,-0.1 0.527 360.0 360.0 -73.3 -6.3 -25.2 31.4 -32.2 529 389 B K 0 0 171 -155,-0.1 -2,-0.1 0, 0.0 -151,-0.0 -0.844 360.0 360.0-134.3 360.0 -21.8 32.7 -31.2