REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1bj5_1_A DATA FIRST_RESID 3 DATA SEQUENCE HKSEVAHRFK DLGEENFKAL VLIAFAQYLQ QCPFEDHVKL VNEVTEFAKT DATA SEQUENCE cVADESAENc DKSLHTLFGD KLcTVATLRE TYGEMADccA KQEPERNEcF DATA SEQUENCE LQHKDDNPNL PRLVRPEVDV McTAFHDNEE TFLKKYLYEI ARRHPYFYAP DATA SEQUENCE ELLFFAKRYK AAFTEccQAA DKAAcLLPKL DELRDEGKAS SAKQRLKcAS DATA SEQUENCE LQKFGERAFK AWAVARLSQR FPKAEFAEVS KLVTDLTKVH TEccHGDLLE DATA SEQUENCE cADDRADLAK YIcENQDSIS SKLKEccEKP LLEKSHcIAE VENDEMPADL DATA SEQUENCE PSLAADFVES KDVcKNYAEA KDVFLGMFLY EYARRHPDYS VVLLLRLAKT DATA SEQUENCE YETTLEKccA AADPHEcYAK VFDEFKPLVE EPQNLIKQNc ELFEQLGEYK DATA SEQUENCE FQNALLVRYT KKVPQVSTPT LVEVSRNLGK VGSKccKHPE AKRMPcAEDY DATA SEQUENCE LSVVLNQLcV LHEKTPVSDR VTKccTESLV NRRPcFSALE VDETYVPKEF DATA SEQUENCE NAETFTFHAD IcTLSEKERQ IKKQTALVEL VKHKPKATKE QLKAVMDDFA DATA SEQUENCE AFVEKccKAD DKETcFAEEG KKLVAASQAA LG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.301 175.328 -0.046 0.000 0.993 3 H CA 0.000 55.982 56.048 -0.111 0.000 1.023 3 H CB 0.000 29.669 29.762 -0.154 0.000 1.292 4 K N -0.487 120.046 120.400 0.222 0.000 2.348 4 K HA 0.316 4.645 4.320 0.015 0.000 0.194 4 K C -0.453 176.222 176.600 0.124 0.000 1.052 4 K CA 0.535 56.898 56.287 0.127 0.000 1.004 4 K CB 1.024 33.603 32.500 0.132 0.000 0.873 4 K HN 0.139 nan 8.250 nan 0.000 0.523 5 S N 0.099 115.886 115.700 0.144 0.000 2.672 5 S HA 0.214 4.693 4.470 0.015 0.000 0.291 5 S C 0.064 174.729 174.600 0.108 0.000 1.145 5 S CA -0.661 57.590 58.200 0.085 0.000 1.013 5 S CB 1.152 64.357 63.200 0.009 0.000 1.017 5 S HN 0.149 nan 8.310 nan 0.000 0.487 6 E N 2.475 122.757 120.200 0.138 0.000 2.072 6 E HA -0.096 4.263 4.350 0.015 0.000 0.190 6 E C 1.789 178.500 176.600 0.186 0.000 0.982 6 E CA 1.320 57.829 56.400 0.181 0.000 0.803 6 E CB 0.053 29.853 29.700 0.168 0.000 0.755 6 E HN 0.672 nan 8.360 nan 0.000 0.453 7 V N 1.264 121.274 119.914 0.159 0.000 2.261 7 V HA -0.243 3.886 4.120 0.015 0.000 0.246 7 V C 2.478 178.603 176.094 0.051 0.000 1.047 7 V CA 1.849 64.247 62.300 0.163 0.000 1.015 7 V CB -1.159 30.754 31.823 0.150 0.000 0.642 7 V HN 0.240 nan 8.190 nan 0.000 0.446 8 A N -0.642 122.151 122.820 -0.045 0.000 1.940 8 A HA -0.311 4.018 4.320 0.015 0.000 0.219 8 A C 2.284 179.869 177.584 0.002 0.000 1.176 8 A CA 2.237 54.209 52.037 -0.107 0.000 0.631 8 A CB -1.068 17.837 19.000 -0.158 0.000 0.814 8 A HN 0.773 nan 8.150 nan 0.000 0.446 9 H N -0.895 118.130 119.070 -0.075 0.000 2.321 9 H HA -0.100 4.465 4.556 0.015 0.000 0.300 9 H C 2.286 177.626 175.328 0.019 0.000 1.087 9 H CA 1.287 57.304 56.048 -0.052 0.000 1.319 9 H CB 0.071 29.822 29.762 -0.019 0.000 1.379 9 H HN 0.266 nan 8.280 nan 0.000 0.501 10 R N 0.175 120.670 120.500 -0.007 0.000 2.073 10 R HA -0.145 4.204 4.340 0.015 0.000 0.234 10 R C 2.323 178.615 176.300 -0.014 0.000 1.134 10 R CA 0.878 56.972 56.100 -0.009 0.000 0.952 10 R CB -1.354 29.066 30.300 0.200 0.000 0.850 10 R HN 0.320 nan 8.270 nan 0.000 0.433 11 F N 2.373 122.170 119.950 -0.255 0.000 2.025 11 F HA -0.292 4.244 4.527 0.015 0.000 0.297 11 F C 2.262 177.923 175.800 -0.232 0.000 1.132 11 F CA 1.966 59.692 58.000 -0.457 0.000 1.191 11 F CB -0.162 38.484 39.000 -0.590 0.000 0.963 11 F HN -0.037 nan 8.300 nan 0.000 0.481 12 K N -0.451 119.975 120.400 0.044 0.000 2.074 12 K HA -0.230 4.099 4.320 0.015 0.000 0.209 12 K C 1.415 177.977 176.600 -0.064 0.000 1.048 12 K CA 1.912 58.200 56.287 0.002 0.000 0.926 12 K CB -0.685 31.829 32.500 0.023 0.000 0.713 12 K HN 0.493 nan 8.250 nan 0.000 0.444 13 D N -0.313 120.024 120.400 -0.105 0.000 2.350 13 D HA -0.046 4.603 4.640 0.015 0.000 0.213 13 D C 1.568 177.816 176.300 -0.085 0.000 1.031 13 D CA 0.104 54.047 54.000 -0.094 0.000 0.861 13 D CB 0.131 40.857 40.800 -0.124 0.000 0.926 13 D HN -0.016 nan 8.370 nan 0.000 0.520 14 L N 0.525 121.686 121.223 -0.104 0.000 2.262 14 L HA 0.456 4.805 4.340 0.015 0.000 0.197 14 L C 1.102 177.902 176.870 -0.118 0.000 1.073 14 L CA 1.764 56.562 54.840 -0.070 0.000 0.800 14 L CB -0.487 41.574 42.059 0.004 0.000 0.987 14 L HN 0.371 nan 8.230 nan 0.000 0.470 15 G N -0.789 107.855 108.800 -0.260 0.000 2.576 15 G HA2 -0.153 3.816 3.960 0.015 0.000 0.686 15 G HA3 -0.153 3.816 3.960 0.015 0.000 0.686 15 G C 0.272 174.874 174.900 -0.497 0.000 1.242 15 G CA 0.071 44.985 45.100 -0.309 0.000 0.819 15 G HN 0.263 nan 8.290 nan 0.000 0.655 16 E N -0.115 119.771 120.200 -0.524 0.000 2.077 16 E HA -0.156 4.203 4.350 0.015 0.000 0.193 16 E C 2.038 178.581 176.600 -0.094 0.000 0.989 16 E CA 1.892 58.029 56.400 -0.437 0.000 0.800 16 E CB -0.011 29.631 29.700 -0.097 0.000 0.746 16 E HN 0.479 nan 8.360 nan 0.000 0.452 17 E N 0.891 121.061 120.200 -0.050 0.000 2.017 17 E HA -0.167 4.192 4.350 0.015 0.000 0.193 17 E C 1.910 178.528 176.600 0.031 0.000 0.997 17 E CA 1.223 57.632 56.400 0.014 0.000 0.804 17 E CB -0.531 29.178 29.700 0.014 0.000 0.757 17 E HN 0.438 nan 8.360 nan 0.000 0.448 18 N N 0.140 118.847 118.700 0.011 0.000 2.188 18 N HA -0.146 4.603 4.740 0.015 0.000 0.184 18 N C 1.944 177.480 175.510 0.044 0.000 1.018 18 N CA 0.649 53.714 53.050 0.025 0.000 0.858 18 N CB -0.362 38.133 38.487 0.012 0.000 0.989 18 N HN 0.078 nan 8.380 nan 0.000 0.426 19 F N 2.744 122.612 119.950 -0.138 0.000 2.095 19 F HA -0.148 4.388 4.527 0.015 0.000 0.298 19 F C 2.291 178.087 175.800 -0.006 0.000 1.104 19 F CA 1.519 59.453 58.000 -0.111 0.000 1.232 19 F CB -0.072 38.760 39.000 -0.279 0.000 0.987 19 F HN -0.154 nan 8.300 nan 0.000 0.475 20 K N -0.051 120.421 120.400 0.121 0.000 2.057 20 K HA -0.122 4.207 4.320 0.015 0.000 0.207 20 K C 2.270 178.874 176.600 0.007 0.000 1.049 20 K CA 1.143 57.469 56.287 0.065 0.000 0.931 20 K CB -0.535 32.046 32.500 0.136 0.000 0.714 20 K HN 0.365 nan 8.250 nan 0.000 0.440 21 A N 1.235 124.070 122.820 0.025 0.000 1.930 21 A HA -0.097 4.232 4.320 0.015 0.000 0.217 21 A C 2.079 179.669 177.584 0.011 0.000 1.175 21 A CA 1.121 53.183 52.037 0.041 0.000 0.627 21 A CB -0.436 18.598 19.000 0.058 0.000 0.815 21 A HN 0.142 nan 8.150 nan 0.000 0.443 22 L N -0.862 120.331 121.223 -0.051 0.000 2.072 22 L HA -0.102 4.247 4.340 0.015 0.000 0.205 22 L C 2.509 179.313 176.870 -0.109 0.000 1.079 22 L CA 0.703 55.489 54.840 -0.090 0.000 0.752 22 L CB -0.463 41.517 42.059 -0.133 0.000 0.906 22 L HN 0.222 nan 8.230 nan 0.000 0.436 23 V N 0.249 120.056 119.914 -0.178 0.000 2.287 23 V HA -0.322 3.807 4.120 0.015 0.000 0.248 23 V C 2.432 178.605 176.094 0.132 0.000 1.053 23 V CA 1.942 64.202 62.300 -0.066 0.000 1.027 23 V CB -0.408 31.342 31.823 -0.122 0.000 0.646 23 V HN 0.342 nan 8.190 nan 0.000 0.447 24 L N 0.086 121.353 121.223 0.074 0.000 1.971 24 L HA -0.203 4.146 4.340 0.015 0.000 0.215 24 L C 2.249 179.200 176.870 0.134 0.000 1.072 24 L CA 2.153 57.056 54.840 0.105 0.000 0.758 24 L CB -0.523 41.596 42.059 0.100 0.000 0.889 24 L HN 0.230 nan 8.230 nan 0.000 0.433 25 I N -0.189 120.444 120.570 0.104 0.000 2.194 25 I HA -0.373 3.806 4.170 0.015 0.000 0.246 25 I C 2.666 178.830 176.117 0.078 0.000 1.093 25 I CA 1.341 62.699 61.300 0.097 0.000 1.355 25 I CB -0.863 37.176 38.000 0.066 0.000 1.046 25 I HN 0.482 nan 8.210 nan 0.000 0.413 26 A N 0.900 123.743 122.820 0.038 0.000 1.865 26 A HA -0.234 4.095 4.320 0.015 0.000 0.217 26 A C 2.106 179.767 177.584 0.129 0.000 1.191 26 A CA 1.722 53.760 52.037 0.000 0.000 0.623 26 A CB -1.132 17.755 19.000 -0.188 0.000 0.826 26 A HN 0.345 nan 8.150 nan 0.000 0.444 27 F N 0.019 120.025 119.950 0.093 0.000 2.293 27 F HA -0.026 4.511 4.527 0.015 0.000 0.300 27 F C 2.650 178.358 175.800 -0.154 0.000 1.086 27 F CA 0.859 58.848 58.000 -0.018 0.000 1.375 27 F CB -0.191 38.644 39.000 -0.274 0.000 1.045 27 F HN 0.268 nan 8.300 nan 0.000 0.516 28 A N -0.548 122.313 122.820 0.068 0.000 1.968 28 A HA -0.154 4.175 4.320 0.015 0.000 0.217 28 A C 2.046 179.704 177.584 0.123 0.000 1.169 28 A CA 1.038 53.163 52.037 0.146 0.000 0.638 28 A CB -0.513 18.624 19.000 0.227 0.000 0.812 28 A HN 0.432 nan 8.150 nan 0.000 0.446 29 Q N -2.162 117.686 119.800 0.079 0.000 2.378 29 Q HA -0.073 4.276 4.340 0.015 0.000 0.205 29 Q C 1.181 177.108 176.000 -0.121 0.000 0.954 29 Q CA 1.084 56.867 55.803 -0.033 0.000 0.901 29 Q CB -0.100 28.579 28.738 -0.098 0.000 0.981 29 Q HN 0.859 nan 8.270 nan 0.000 0.483 30 Y N -0.735 119.581 120.300 0.026 0.000 2.422 30 Y HA 0.078 4.637 4.550 0.015 0.000 0.291 30 Y C 0.633 176.488 175.900 -0.075 0.000 1.144 30 Y CA 0.065 58.154 58.100 -0.017 0.000 1.208 30 Y CB 0.806 39.239 38.460 -0.046 0.000 1.195 30 Y HN -0.025 nan 8.280 nan 0.000 0.535 31 L N 1.871 123.182 121.223 0.147 0.000 2.701 31 L HA 0.235 4.584 4.340 0.015 0.000 0.237 31 L C 0.651 177.754 176.870 0.388 0.000 1.204 31 L CA 0.103 55.000 54.840 0.095 0.000 1.109 31 L CB 0.293 42.457 42.059 0.174 0.000 1.409 31 L HN 0.286 nan 8.230 nan 0.000 0.428 32 Q N -0.613 119.378 119.800 0.317 0.000 2.541 32 Q HA -0.079 4.270 4.340 0.015 0.000 0.215 32 Q C 0.847 177.011 176.000 0.274 0.000 0.977 32 Q CA 0.692 56.652 55.803 0.262 0.000 0.934 32 Q CB 0.279 29.098 28.738 0.135 0.000 0.988 32 Q HN 0.520 nan 8.270 nan 0.000 0.521 33 Q N -0.704 119.340 119.800 0.405 0.000 2.317 33 Q HA 0.112 4.461 4.340 0.015 0.000 0.220 33 Q C 0.283 176.375 176.000 0.152 0.000 0.873 33 Q CA 0.098 56.013 55.803 0.186 0.000 0.936 33 Q CB 0.634 29.349 28.738 -0.038 0.000 1.105 33 Q HN 0.261 nan 8.270 nan 0.000 0.520 34 C N 4.133 123.596 119.300 0.272 0.000 2.601 34 C HA 0.272 4.741 4.460 0.015 0.000 0.409 34 C C -1.806 173.138 174.990 -0.077 0.000 1.293 34 C CA -0.991 58.081 59.018 0.090 0.000 2.101 34 C CB 0.532 28.360 27.740 0.147 0.000 2.639 34 C HN 0.260 nan 8.230 nan 0.000 0.592 35 P HA -0.016 nan 4.420 nan 0.000 0.269 35 P C 0.578 177.619 177.300 -0.431 0.000 1.209 35 P CA 0.132 63.139 63.100 -0.155 0.000 0.776 35 P CB 0.348 31.985 31.700 -0.104 0.000 0.876 36 F N 3.001 122.507 119.950 -0.740 0.000 2.063 36 F HA -0.283 4.253 4.527 0.015 0.000 0.298 36 F C 1.854 177.347 175.800 -0.511 0.000 1.109 36 F CA 2.127 59.512 58.000 -1.025 0.000 1.212 36 F CB -0.719 37.738 39.000 -0.905 0.000 0.973 36 F HN 0.303 nan 8.300 nan 0.000 0.480 37 E N 0.072 120.098 120.200 -0.291 0.000 2.219 37 E HA -0.238 4.121 4.350 0.015 0.000 0.198 37 E C 1.720 178.133 176.600 -0.312 0.000 0.998 37 E CA 1.591 57.827 56.400 -0.273 0.000 0.818 37 E CB -0.506 29.133 29.700 -0.102 0.000 0.741 37 E HN 0.479 nan 8.360 nan 0.000 0.477 38 D N -0.755 119.449 120.400 -0.326 0.000 2.149 38 D HA -0.095 4.555 4.640 0.015 0.000 0.201 38 D C 1.587 177.759 176.300 -0.213 0.000 0.972 38 D CA 0.921 54.770 54.000 -0.251 0.000 0.835 38 D CB 0.001 40.663 40.800 -0.231 0.000 0.966 38 D HN 0.255 nan 8.370 nan 0.000 0.476 39 H N -0.495 118.371 119.070 -0.340 0.000 2.372 39 H HA 0.075 4.640 4.556 0.015 0.000 0.301 39 H C 2.208 177.294 175.328 -0.404 0.000 1.065 39 H CA 0.324 56.163 56.048 -0.348 0.000 1.364 39 H CB -0.566 29.039 29.762 -0.262 0.000 1.406 39 H HN -0.006 nan 8.280 nan 0.000 0.521 40 V N 1.022 120.683 119.914 -0.421 0.000 2.688 40 V HA -0.227 3.902 4.120 0.015 0.000 0.256 40 V C 2.404 178.363 176.094 -0.224 0.000 1.084 40 V CA 1.747 63.820 62.300 -0.379 0.000 1.103 40 V CB -0.328 31.191 31.823 -0.508 0.000 0.688 40 V HN 0.315 nan 8.190 nan 0.000 0.480 41 K N -0.456 119.817 120.400 -0.212 0.000 2.137 41 K HA 0.026 4.355 4.320 0.015 0.000 0.202 41 K C 2.051 178.551 176.600 -0.167 0.000 1.052 41 K CA 0.760 56.953 56.287 -0.157 0.000 0.961 41 K CB -0.007 32.408 32.500 -0.142 0.000 0.741 41 K HN 0.369 nan 8.250 nan 0.000 0.452 42 L N 0.361 121.437 121.223 -0.245 0.000 2.027 42 L HA -0.157 4.192 4.340 0.015 0.000 0.206 42 L C 2.243 178.951 176.870 -0.270 0.000 1.074 42 L CA 0.758 55.382 54.840 -0.361 0.000 0.745 42 L CB -0.372 41.254 42.059 -0.722 0.000 0.898 42 L HN -0.003 nan 8.230 nan 0.000 0.433 43 V N 0.339 120.122 119.914 -0.219 0.000 2.324 43 V HA -0.311 3.818 4.120 0.015 0.000 0.250 43 V C 2.245 178.346 176.094 0.012 0.000 1.060 43 V CA 1.985 64.238 62.300 -0.077 0.000 1.042 43 V CB -0.717 31.072 31.823 -0.057 0.000 0.650 43 V HN 0.495 nan 8.190 nan 0.000 0.450 44 N N -0.158 118.531 118.700 -0.018 0.000 2.142 44 N HA -0.161 4.588 4.740 0.015 0.000 0.186 44 N C 1.901 177.438 175.510 0.045 0.000 1.023 44 N CA 1.421 54.487 53.050 0.027 0.000 0.852 44 N CB -0.299 38.184 38.487 -0.007 0.000 0.998 44 N HN 0.590 nan 8.380 nan 0.000 0.424 45 E N 0.223 120.422 120.200 -0.003 0.000 2.058 45 E HA -0.124 4.236 4.350 0.015 0.000 0.194 45 E C 1.745 178.396 176.600 0.085 0.000 0.997 45 E CA 1.020 57.424 56.400 0.006 0.000 0.801 45 E CB 0.146 29.806 29.700 -0.067 0.000 0.746 45 E HN 0.035 nan 8.360 nan 0.000 0.450 46 V N 0.174 120.153 119.914 0.109 0.000 2.453 46 V HA -0.189 3.940 4.120 0.015 0.000 0.247 46 V C 2.200 178.543 176.094 0.415 0.000 1.048 46 V CA 1.977 64.433 62.300 0.259 0.000 1.049 46 V CB -0.390 31.586 31.823 0.254 0.000 0.672 46 V HN 0.337 nan 8.190 nan 0.000 0.457 47 T N -0.653 114.125 114.554 0.373 0.000 2.904 47 T HA -0.153 4.206 4.350 0.015 0.000 0.267 47 T C 1.895 176.704 174.700 0.181 0.000 1.059 47 T CA 1.406 63.772 62.100 0.442 0.000 1.137 47 T CB -0.118 69.005 68.868 0.426 0.000 0.879 47 T HN 0.392 nan 8.240 nan 0.000 0.467 48 E N 0.594 120.882 120.200 0.147 0.000 2.150 48 E HA -0.026 4.333 4.350 0.015 0.000 0.193 48 E C 1.567 178.205 176.600 0.063 0.000 0.985 48 E CA 0.604 57.046 56.400 0.069 0.000 0.814 48 E CB -0.369 29.376 29.700 0.074 0.000 0.752 48 E HN 0.486 nan 8.360 nan 0.000 0.466 49 F N 0.484 120.426 119.950 -0.013 0.000 2.098 49 F HA 0.034 4.570 4.527 0.015 0.000 0.294 49 F C 2.052 177.795 175.800 -0.095 0.000 1.107 49 F CA 1.520 59.506 58.000 -0.024 0.000 1.234 49 F CB -0.879 38.142 39.000 0.035 0.000 1.002 49 F HN 0.064 nan 8.300 nan 0.000 0.472 50 A N 0.138 122.847 122.820 -0.186 0.000 1.948 50 A HA -0.278 4.051 4.320 0.015 0.000 0.220 50 A C 2.180 179.286 177.584 -0.797 0.000 1.177 50 A CA 2.147 53.885 52.037 -0.499 0.000 0.636 50 A CB -0.833 17.891 19.000 -0.461 0.000 0.815 50 A HN 0.437 nan 8.150 nan 0.000 0.449 51 K N -1.221 118.734 120.400 -0.741 0.000 2.283 51 K HA -0.027 4.303 4.320 0.015 0.000 0.202 51 K C 1.924 178.280 176.600 -0.406 0.000 1.048 51 K CA 1.375 57.272 56.287 -0.649 0.000 0.948 51 K CB -0.203 32.051 32.500 -0.411 0.000 0.742 51 K HN 0.461 nan 8.250 nan 0.000 0.458 52 T N -0.484 113.845 114.554 -0.376 0.000 2.857 52 T HA -0.093 4.266 4.350 0.015 0.000 0.266 52 T C 1.708 176.217 174.700 -0.318 0.000 1.048 52 T CA 1.045 62.971 62.100 -0.289 0.000 1.139 52 T CB -0.125 68.594 68.868 -0.247 0.000 0.874 52 T HN 0.326 nan 8.240 nan 0.000 0.455 53 c N 0.667 119.001 118.600 -0.443 0.000 2.475 53 c HA 0.118 4.697 4.570 0.015 0.000 0.279 53 c C 2.714 176.648 174.090 -0.260 0.000 1.322 53 c CA -0.209 55.910 56.329 -0.349 0.000 1.734 53 c CB -1.014 41.250 42.510 -0.409 0.000 2.005 53 c HN 0.321 nan 8.230 nan 0.000 0.495 54 V N 1.662 121.389 119.914 -0.312 0.000 2.568 54 V HA -0.206 3.923 4.120 0.015 0.000 0.253 54 V C 2.565 178.561 176.094 -0.164 0.000 1.072 54 V CA 2.185 64.344 62.300 -0.236 0.000 1.084 54 V CB -1.060 30.589 31.823 -0.290 0.000 0.676 54 V HN 0.633 nan 8.190 nan 0.000 0.469 55 A N -1.399 121.319 122.820 -0.169 0.000 1.943 55 A HA 0.004 4.333 4.320 0.015 0.000 0.213 55 A C 1.199 178.731 177.584 -0.087 0.000 1.181 55 A CA 1.004 52.973 52.037 -0.113 0.000 0.653 55 A CB 0.126 19.059 19.000 -0.112 0.000 0.833 55 A HN 0.477 nan 8.150 nan 0.000 0.451 56 D N -0.997 119.342 120.400 -0.102 0.000 2.323 56 D HA 0.262 4.912 4.640 0.015 0.000 0.242 56 D C -0.098 176.158 176.300 -0.074 0.000 1.347 56 D CA -0.174 53.784 54.000 -0.069 0.000 0.988 56 D CB 0.815 41.582 40.800 -0.056 0.000 1.314 56 D HN 0.246 nan 8.370 nan 0.000 0.564 57 E N 0.282 120.453 120.200 -0.048 0.000 2.273 57 E HA -0.118 4.241 4.350 0.015 0.000 0.198 57 E C 1.400 177.995 176.600 -0.009 0.000 1.002 57 E CA 1.025 57.409 56.400 -0.027 0.000 0.828 57 E CB 0.270 29.998 29.700 0.048 0.000 0.747 57 E HN 0.171 nan 8.360 nan 0.000 0.491 58 S N 0.195 115.891 115.700 -0.007 0.000 2.527 58 S HA 0.156 4.635 4.470 0.015 0.000 0.222 58 S C 0.728 175.329 174.600 0.002 0.000 0.985 58 S CA 0.080 58.283 58.200 0.005 0.000 0.921 58 S CB 0.174 63.378 63.200 0.007 0.000 0.772 58 S HN 0.354 nan 8.310 nan 0.000 0.529 59 A N 2.226 125.034 122.820 -0.021 0.000 2.584 59 A HA 0.109 4.438 4.320 0.015 0.000 0.239 59 A C 0.394 177.996 177.584 0.031 0.000 1.043 59 A CA -0.085 51.943 52.037 -0.014 0.000 0.756 59 A CB -0.180 18.781 19.000 -0.065 0.000 0.963 59 A HN 0.387 nan 8.150 nan 0.000 0.511 60 E N 2.773 123.010 120.200 0.061 0.000 2.760 60 E HA -0.135 4.224 4.350 0.015 0.000 0.268 60 E C 0.937 177.644 176.600 0.179 0.000 0.935 60 E CA 1.728 58.186 56.400 0.096 0.000 0.960 60 E CB -0.046 29.706 29.700 0.086 0.000 0.931 60 E HN 0.737 nan 8.360 nan 0.000 0.483 61 N N 1.461 120.263 118.700 0.170 0.000 2.951 61 N HA -0.291 4.458 4.740 0.015 0.000 0.218 61 N C 0.900 176.604 175.510 0.324 0.000 0.858 61 N CA 1.390 54.586 53.050 0.243 0.000 1.050 61 N CB -1.851 36.803 38.487 0.278 0.000 1.012 61 N HN 0.547 nan 8.380 nan 0.000 0.611 62 c N 1.421 120.154 118.600 0.222 0.000 2.409 62 c HA -0.135 4.444 4.570 0.015 0.000 0.288 62 c C 2.153 176.308 174.090 0.109 0.000 1.395 62 c CA 1.335 57.719 56.329 0.092 0.000 1.792 62 c CB -1.433 41.034 42.510 -0.073 0.000 1.847 62 c HN 0.660 nan 8.230 nan 0.000 0.534 63 D N 0.196 120.664 120.400 0.114 0.000 2.323 63 D HA -0.044 4.606 4.640 0.015 0.000 0.209 63 D C 0.717 177.084 176.300 0.113 0.000 0.973 63 D CA 0.417 54.475 54.000 0.097 0.000 0.874 63 D CB -0.154 40.692 40.800 0.076 0.000 0.930 63 D HN 0.333 nan 8.370 nan 0.000 0.521 64 K N 1.102 121.586 120.400 0.141 0.000 2.319 64 K HA 0.129 4.458 4.320 0.015 0.000 0.265 64 K C 0.503 177.193 176.600 0.149 0.000 1.000 64 K CA -0.154 56.215 56.287 0.137 0.000 0.943 64 K CB 0.975 33.561 32.500 0.144 0.000 0.950 64 K HN 0.237 nan 8.250 nan 0.000 0.485 65 S N 1.787 117.570 115.700 0.140 0.000 2.592 65 S HA 0.096 4.575 4.470 0.015 0.000 0.271 65 S C 1.471 176.170 174.600 0.164 0.000 1.326 65 S CA -0.692 57.599 58.200 0.152 0.000 1.024 65 S CB 0.515 63.809 63.200 0.158 0.000 0.921 65 S HN 0.577 nan 8.310 nan 0.000 0.527 66 L N 1.299 122.606 121.223 0.140 0.000 2.079 66 L HA -0.149 4.200 4.340 0.015 0.000 0.210 66 L C 2.435 179.348 176.870 0.072 0.000 1.081 66 L CA 1.740 56.636 54.840 0.093 0.000 0.752 66 L CB -0.793 41.272 42.059 0.009 0.000 0.896 66 L HN 0.854 nan 8.230 nan 0.000 0.433 67 H N -1.259 117.873 119.070 0.103 0.000 2.423 67 H HA -0.121 4.444 4.556 0.015 0.000 0.297 67 H C 2.256 177.678 175.328 0.158 0.000 1.075 67 H CA 1.803 57.922 56.048 0.119 0.000 1.342 67 H CB 0.118 29.937 29.762 0.095 0.000 1.395 67 H HN 0.245 nan 8.280 nan 0.000 0.530 68 T N 0.179 114.879 114.554 0.244 0.000 2.809 68 T HA -0.052 4.307 4.350 0.015 0.000 0.260 68 T C 2.143 176.924 174.700 0.135 0.000 1.039 68 T CA 0.754 62.957 62.100 0.171 0.000 1.141 68 T CB -0.210 68.737 68.868 0.132 0.000 0.869 68 T HN 0.177 nan 8.240 nan 0.000 0.437 69 L N 0.001 121.308 121.223 0.139 0.000 2.046 69 L HA -0.049 4.300 4.340 0.015 0.000 0.208 69 L C 2.293 179.218 176.870 0.091 0.000 1.077 69 L CA 1.374 56.272 54.840 0.097 0.000 0.747 69 L CB -0.548 41.602 42.059 0.151 0.000 0.896 69 L HN 0.181 nan 8.230 nan 0.000 0.432 70 F N 0.932 120.859 119.950 -0.038 0.000 2.031 70 F HA -0.153 4.383 4.527 0.015 0.000 0.295 70 F C 2.321 178.025 175.800 -0.160 0.000 1.133 70 F CA 1.739 59.645 58.000 -0.157 0.000 1.188 70 F CB -0.922 37.904 39.000 -0.289 0.000 0.974 70 F HN -0.007 nan 8.300 nan 0.000 0.473 71 G N -0.342 108.438 108.800 -0.034 0.000 2.469 71 G HA2 -0.317 3.652 3.960 0.015 0.000 0.220 71 G HA3 -0.317 3.652 3.960 0.015 0.000 0.220 71 G C 1.321 176.175 174.900 -0.076 0.000 1.136 71 G CA 1.237 46.318 45.100 -0.032 0.000 0.759 71 G HN 0.376 nan 8.290 nan 0.000 0.562 72 D N 0.242 120.620 120.400 -0.037 0.000 2.117 72 D HA -0.043 4.606 4.640 0.015 0.000 0.197 72 D C 2.456 178.700 176.300 -0.095 0.000 0.987 72 D CA 0.716 54.692 54.000 -0.040 0.000 0.829 72 D CB -0.066 40.716 40.800 -0.030 0.000 0.961 72 D HN 0.124 nan 8.370 nan 0.000 0.460 73 K N 0.102 120.422 120.400 -0.133 0.000 2.097 73 K HA -0.053 4.276 4.320 0.015 0.000 0.205 73 K C 2.116 178.627 176.600 -0.149 0.000 1.050 73 K CA 0.202 56.422 56.287 -0.113 0.000 0.938 73 K CB -0.417 32.085 32.500 0.002 0.000 0.718 73 K HN 0.120 nan 8.250 nan 0.000 0.442 74 L N 0.784 121.814 121.223 -0.321 0.000 2.042 74 L HA -0.212 4.138 4.340 0.015 0.000 0.210 74 L C 2.142 178.877 176.870 -0.225 0.000 1.076 74 L CA 1.457 56.054 54.840 -0.404 0.000 0.749 74 L CB -0.585 40.913 42.059 -0.934 0.000 0.893 74 L HN 0.134 nan 8.230 nan 0.000 0.432 75 c N -1.254 117.267 118.600 -0.132 0.000 2.546 75 c HA -0.003 4.576 4.570 0.015 0.000 0.275 75 c C 2.264 176.337 174.090 -0.028 0.000 1.393 75 c CA 0.726 57.043 56.329 -0.021 0.000 1.703 75 c CB -1.699 40.837 42.510 0.043 0.000 1.710 75 c HN 0.493 nan 8.230 nan 0.000 0.581 76 T N 0.108 114.627 114.554 -0.059 0.000 3.065 76 T HA 0.050 4.409 4.350 0.015 0.000 0.252 76 T C 0.750 175.428 174.700 -0.037 0.000 1.099 76 T CA 0.461 62.530 62.100 -0.051 0.000 1.063 76 T CB 0.076 68.898 68.868 -0.077 0.000 0.948 76 T HN 0.235 nan 8.240 nan 0.000 0.506 77 V N 2.825 122.723 119.914 -0.026 0.000 2.397 77 V HA 0.272 4.401 4.120 0.015 0.000 0.262 77 V C 1.547 177.664 176.094 0.038 0.000 1.047 77 V CA -0.314 61.994 62.300 0.013 0.000 1.003 77 V CB 0.068 31.922 31.823 0.053 0.000 1.037 77 V HN 0.413 nan 8.190 nan 0.000 0.480 78 A N 4.459 127.293 122.820 0.023 0.000 1.972 78 A HA -0.109 4.221 4.320 0.015 0.000 0.219 78 A C 1.984 179.591 177.584 0.038 0.000 1.169 78 A CA 1.881 53.932 52.037 0.023 0.000 0.635 78 A CB -0.400 18.604 19.000 0.006 0.000 0.810 78 A HN 0.858 nan 8.150 nan 0.000 0.446 79 T N -2.539 112.045 114.554 0.051 0.000 3.278 79 T HA 0.305 4.664 4.350 0.015 0.000 0.251 79 T C 1.159 175.923 174.700 0.106 0.000 1.039 79 T CA 0.289 62.416 62.100 0.045 0.000 0.935 79 T CB -0.046 68.830 68.868 0.013 0.000 1.034 79 T HN 0.101 nan 8.240 nan 0.000 0.575 80 L N 1.466 122.792 121.223 0.172 0.000 2.023 80 L HA 0.233 4.582 4.340 0.015 0.000 0.205 80 L C 2.783 179.804 176.870 0.252 0.000 1.073 80 L CA 1.588 56.627 54.840 0.331 0.000 0.745 80 L CB -0.533 41.641 42.059 0.192 0.000 0.900 80 L HN 0.250 nan 8.230 nan 0.000 0.435 81 R N -0.297 120.279 120.500 0.127 0.000 2.083 81 R HA -0.192 4.157 4.340 0.015 0.000 0.237 81 R C 2.215 178.543 176.300 0.046 0.000 1.137 81 R CA 2.109 58.257 56.100 0.079 0.000 0.951 81 R CB -0.452 29.876 30.300 0.046 0.000 0.851 81 R HN 0.504 nan 8.270 nan 0.000 0.434 82 E N -0.445 119.767 120.200 0.020 0.000 2.028 82 E HA -0.116 4.243 4.350 0.015 0.000 0.191 82 E C 2.003 178.557 176.600 -0.076 0.000 0.988 82 E CA 1.715 58.102 56.400 -0.021 0.000 0.799 82 E CB -1.290 28.394 29.700 -0.027 0.000 0.755 82 E HN 0.590 nan 8.360 nan 0.000 0.447 83 T N -0.265 114.198 114.554 -0.152 0.000 2.737 83 T HA -0.048 4.311 4.350 0.015 0.000 0.265 83 T C 1.746 176.158 174.700 -0.480 0.000 1.038 83 T CA 1.565 63.421 62.100 -0.406 0.000 1.144 83 T CB -0.347 68.068 68.868 -0.756 0.000 0.866 83 T HN 0.612 nan 8.240 nan 0.000 0.434 84 Y N 0.390 120.710 120.300 0.033 0.000 2.481 84 Y HA 0.412 4.971 4.550 0.015 0.000 0.258 84 Y C 2.138 178.051 175.900 0.021 0.000 1.103 84 Y CA -0.294 57.830 58.100 0.041 0.000 1.287 84 Y CB -0.504 37.994 38.460 0.063 0.000 1.108 84 Y HN 0.343 nan 8.280 nan 0.000 0.529 85 G N 1.215 110.090 108.800 0.126 0.000 2.793 85 G HA2 -0.526 3.443 3.960 0.015 0.000 0.334 85 G HA3 -0.526 3.443 3.960 0.015 0.000 0.334 85 G C 1.328 176.246 174.900 0.030 0.000 1.186 85 G CA 1.119 46.257 45.100 0.063 0.000 0.960 85 G HN 0.383 nan 8.290 nan 0.000 0.562 86 E N 0.116 120.313 120.200 -0.006 0.000 2.147 86 E HA -0.239 4.121 4.350 0.015 0.000 0.199 86 E C 2.561 178.990 176.600 -0.284 0.000 1.005 86 E CA 1.806 58.140 56.400 -0.109 0.000 0.810 86 E CB -0.197 29.455 29.700 -0.079 0.000 0.736 86 E HN 0.594 nan 8.360 nan 0.000 0.460 87 M N -0.153 119.331 119.600 -0.194 0.000 2.213 87 M HA -0.129 4.360 4.480 0.015 0.000 0.263 87 M C 2.048 178.352 176.300 0.007 0.000 1.062 87 M CA 1.658 56.864 55.300 -0.155 0.000 1.105 87 M CB -0.003 32.663 32.600 0.109 0.000 1.385 87 M HN 0.101 nan 8.290 nan 0.000 0.417 88 A N 0.119 122.968 122.820 0.048 0.000 2.172 88 A HA -0.149 4.180 4.320 0.015 0.000 0.216 88 A C 1.448 179.047 177.584 0.025 0.000 1.154 88 A CA 1.680 53.764 52.037 0.077 0.000 0.701 88 A CB -0.721 18.328 19.000 0.080 0.000 0.789 88 A HN 0.566 nan 8.150 nan 0.000 0.465 89 D N -0.501 119.875 120.400 -0.039 0.000 2.219 89 D HA -0.096 4.553 4.640 0.015 0.000 0.205 89 D C 1.812 178.075 176.300 -0.063 0.000 0.970 89 D CA 0.999 54.970 54.000 -0.049 0.000 0.851 89 D CB -0.487 40.270 40.800 -0.072 0.000 0.943 89 D HN 0.482 nan 8.370 nan 0.000 0.488 90 c N 0.223 118.761 118.600 -0.103 0.000 2.411 90 c HA -0.143 4.436 4.570 0.015 0.000 0.279 90 c C 2.795 176.770 174.090 -0.192 0.000 1.288 90 c CA 0.069 56.265 56.329 -0.222 0.000 1.764 90 c CB -1.089 41.113 42.510 -0.513 0.000 1.974 90 c HN 0.432 nan 8.230 nan 0.000 0.498 91 c N 1.034 119.610 118.600 -0.041 0.000 2.449 91 c HA 0.071 4.650 4.570 0.015 0.000 0.283 91 c C 2.680 176.768 174.090 -0.004 0.000 1.453 91 c CA 0.940 57.283 56.329 0.025 0.000 1.779 91 c CB -1.777 40.783 42.510 0.083 0.000 1.779 91 c HN 0.721 nan 8.230 nan 0.000 0.546 92 A N 0.104 122.909 122.820 -0.024 0.000 2.275 92 A HA 0.104 4.433 4.320 0.015 0.000 0.212 92 A C 0.699 178.267 177.584 -0.026 0.000 1.201 92 A CA 0.246 52.273 52.037 -0.018 0.000 0.843 92 A CB -0.077 18.914 19.000 -0.014 0.000 0.873 92 A HN 0.704 nan 8.150 nan 0.000 0.492 93 K N 0.456 120.827 120.400 -0.048 0.000 2.156 93 K HA 0.478 4.807 4.320 0.015 0.000 0.254 93 K C -0.772 175.804 176.600 -0.041 0.000 0.950 93 K CA -0.603 55.655 56.287 -0.048 0.000 0.849 93 K CB 1.419 33.877 32.500 -0.070 0.000 1.100 93 K HN 0.197 nan 8.250 nan 0.000 0.434 94 Q N 1.783 121.569 119.800 -0.024 0.000 2.243 94 Q HA -0.012 4.337 4.340 0.015 0.000 0.252 94 Q C 0.428 176.422 176.000 -0.011 0.000 0.909 94 Q CA -0.140 55.657 55.803 -0.010 0.000 0.922 94 Q CB 1.392 30.130 28.738 -0.000 0.000 1.215 94 Q HN 0.609 nan 8.270 nan 0.000 0.427 95 E N 2.368 122.572 120.200 0.007 0.000 2.816 95 E HA -0.307 4.052 4.350 0.015 0.000 0.235 95 E C -1.019 175.577 176.600 -0.007 0.000 0.972 95 E CA 2.818 59.230 56.400 0.019 0.000 1.534 95 E CB -1.602 28.123 29.700 0.041 0.000 1.465 95 E HN 0.627 nan 8.360 nan 0.000 0.464 96 P HA -0.147 nan 4.420 nan 0.000 0.216 96 P C 1.147 178.425 177.300 -0.038 0.000 1.157 96 P CA 2.218 65.297 63.100 -0.034 0.000 0.880 96 P CB -0.115 31.569 31.700 -0.027 0.000 0.791 97 E N -0.790 119.386 120.200 -0.040 0.000 2.046 97 E HA -0.084 4.275 4.350 0.015 0.000 0.190 97 E C 2.325 178.865 176.600 -0.099 0.000 0.982 97 E CA 0.631 57.000 56.400 -0.052 0.000 0.800 97 E CB -0.588 29.084 29.700 -0.048 0.000 0.756 97 E HN 0.066 nan 8.360 nan 0.000 0.449 98 R N 0.727 121.147 120.500 -0.132 0.000 2.143 98 R HA -0.286 4.063 4.340 0.015 0.000 0.239 98 R C 2.166 178.238 176.300 -0.381 0.000 1.126 98 R CA 2.204 58.128 56.100 -0.294 0.000 0.927 98 R CB -0.427 29.766 30.300 -0.179 0.000 0.860 98 R HN 0.115 nan 8.270 nan 0.000 0.433 99 N N -0.093 118.572 118.700 -0.057 0.000 2.094 99 N HA -0.218 4.531 4.740 0.015 0.000 0.191 99 N C 1.615 177.206 175.510 0.135 0.000 1.023 99 N CA 1.712 54.867 53.050 0.175 0.000 0.857 99 N CB -0.120 38.482 38.487 0.191 0.000 1.013 99 N HN 0.200 nan 8.380 nan 0.000 0.426 100 E N -0.249 119.975 120.200 0.039 0.000 2.204 100 E HA -0.101 4.258 4.350 0.015 0.000 0.195 100 E C 1.893 178.512 176.600 0.033 0.000 0.990 100 E CA 0.484 56.925 56.400 0.067 0.000 0.821 100 E CB -0.747 28.974 29.700 0.034 0.000 0.750 100 E HN 0.479 nan 8.360 nan 0.000 0.477 101 c N -0.464 118.095 118.600 -0.068 0.000 2.450 101 c HA -0.018 4.561 4.570 0.015 0.000 0.279 101 c C 2.225 176.372 174.090 0.094 0.000 1.335 101 c CA 0.226 56.523 56.329 -0.054 0.000 1.749 101 c CB -1.360 41.038 42.510 -0.185 0.000 1.963 101 c HN 0.368 nan 8.230 nan 0.000 0.501 102 F N 0.482 120.564 119.950 0.221 0.000 2.098 102 F HA 0.037 4.573 4.527 0.015 0.000 0.294 102 F C 2.078 178.058 175.800 0.301 0.000 1.107 102 F CA 0.986 59.160 58.000 0.291 0.000 1.234 102 F CB -1.454 37.718 39.000 0.286 0.000 1.002 102 F HN 0.049 nan 8.300 nan 0.000 0.472 103 L N 0.231 121.731 121.223 0.461 0.000 2.129 103 L HA -0.256 4.093 4.340 0.015 0.000 0.212 103 L C 2.399 179.301 176.870 0.053 0.000 1.087 103 L CA 1.665 56.638 54.840 0.221 0.000 0.757 103 L CB -1.123 41.017 42.059 0.135 0.000 0.896 103 L HN 0.247 nan 8.230 nan 0.000 0.434 104 Q N -1.385 118.428 119.800 0.022 0.000 1.990 104 Q HA -0.164 4.185 4.340 0.015 0.000 0.200 104 Q C 1.237 177.122 176.000 -0.192 0.000 0.980 104 Q CA 1.325 57.037 55.803 -0.151 0.000 0.832 104 Q CB -0.004 28.565 28.738 -0.281 0.000 0.897 104 Q HN 0.575 nan 8.270 nan 0.000 0.427 105 H N 0.095 119.228 119.070 0.105 0.000 2.669 105 H HA 0.149 4.715 4.556 0.015 0.000 0.297 105 H C -0.330 175.067 175.328 0.114 0.000 1.071 105 H CA 0.315 56.431 56.048 0.113 0.000 1.182 105 H CB -0.055 29.795 29.762 0.147 0.000 1.343 105 H HN 0.042 nan 8.280 nan 0.000 0.582 106 K N 1.873 122.346 120.400 0.120 0.000 2.253 106 K HA 0.055 4.384 4.320 0.015 0.000 0.277 106 K C -0.779 175.835 176.600 0.024 0.000 1.053 106 K CA -0.591 55.725 56.287 0.047 0.000 0.892 106 K CB 0.749 33.207 32.500 -0.071 0.000 1.102 106 K HN 0.072 nan 8.250 nan 0.000 0.469 107 D N 3.170 123.598 120.400 0.046 0.000 2.325 107 D HA 0.083 4.732 4.640 0.015 0.000 0.251 107 D C 1.123 177.430 176.300 0.012 0.000 1.196 107 D CA 0.428 54.451 54.000 0.037 0.000 0.866 107 D CB 1.292 42.128 40.800 0.061 0.000 1.101 107 D HN 0.662 nan 8.370 nan 0.000 0.476 108 D N 2.898 123.302 120.400 0.008 0.000 2.077 108 D HA -0.133 4.516 4.640 0.015 0.000 0.193 108 D C 0.943 177.259 176.300 0.027 0.000 0.989 108 D CA 1.538 55.547 54.000 0.014 0.000 0.831 108 D CB -0.823 39.986 40.800 0.016 0.000 0.979 108 D HN 0.572 nan 8.370 nan 0.000 0.449 109 N N 1.462 120.175 118.700 0.023 0.000 2.800 109 N HA 0.545 5.294 4.740 0.015 0.000 0.240 109 N C -2.730 172.780 175.510 -0.000 0.000 1.096 109 N CA -1.041 52.018 53.050 0.015 0.000 0.877 109 N CB 1.021 39.526 38.487 0.030 0.000 1.138 109 N HN 0.404 nan 8.380 nan 0.000 0.509 110 P HA 0.221 nan 4.420 nan 0.000 0.275 110 P C -0.779 176.508 177.300 -0.022 0.000 1.227 110 P CA -0.230 62.866 63.100 -0.008 0.000 0.781 110 P CB 0.830 32.529 31.700 -0.003 0.000 0.906 111 N N 1.780 120.473 118.700 -0.011 0.000 2.549 111 N HA 0.208 4.957 4.740 0.015 0.000 0.267 111 N C -0.377 175.118 175.510 -0.025 0.000 1.182 111 N CA 0.061 53.100 53.050 -0.017 0.000 1.019 111 N CB -0.511 37.971 38.487 -0.008 0.000 1.380 111 N HN 0.321 nan 8.380 nan 0.000 0.505 112 L N 1.868 123.066 121.223 -0.042 0.000 2.303 112 L HA 0.647 4.996 4.340 0.015 0.000 0.266 112 L C -1.857 174.983 176.870 -0.049 0.000 1.011 112 L CA -2.063 52.746 54.840 -0.051 0.000 0.818 112 L CB 1.042 43.052 42.059 -0.081 0.000 1.326 112 L HN 0.270 nan 8.230 nan 0.000 0.435 113 P HA 0.205 nan 4.420 nan 0.000 0.275 113 P C -1.254 176.020 177.300 -0.043 0.000 1.227 113 P CA -0.685 62.393 63.100 -0.037 0.000 0.781 113 P CB 0.410 32.092 31.700 -0.031 0.000 0.906 114 R N 2.112 122.595 120.500 -0.030 0.000 2.538 114 R HA 0.127 4.476 4.340 0.015 0.000 0.282 114 R C -0.439 175.849 176.300 -0.021 0.000 1.009 114 R CA -0.360 55.725 56.100 -0.025 0.000 1.063 114 R CB -0.306 29.989 30.300 -0.008 0.000 0.945 114 R HN 0.250 nan 8.270 nan 0.000 0.414 115 L N 5.446 126.655 121.223 -0.023 0.000 2.433 115 L HA 0.117 4.466 4.340 0.015 0.000 0.275 115 L C -0.311 176.579 176.870 0.034 0.000 1.128 115 L CA -0.004 54.834 54.840 -0.003 0.000 0.875 115 L CB 1.107 43.162 42.059 -0.007 0.000 1.171 115 L HN 0.652 nan 8.230 nan 0.000 0.463 116 V N 3.396 123.338 119.914 0.047 0.000 2.567 116 V HA 0.509 4.638 4.120 0.015 0.000 0.289 116 V C 0.359 176.512 176.094 0.097 0.000 1.049 116 V CA -0.952 61.383 62.300 0.059 0.000 0.969 116 V CB 1.162 33.013 31.823 0.047 0.000 0.995 116 V HN 0.814 nan 8.190 nan 0.000 0.471 117 R N 5.430 125.980 120.500 0.083 0.000 2.242 117 R HA 0.397 4.746 4.340 0.015 0.000 0.334 117 R C -1.993 174.364 176.300 0.095 0.000 1.071 117 R CA -1.407 54.748 56.100 0.092 0.000 0.922 117 R CB 0.635 30.977 30.300 0.071 0.000 1.023 117 R HN 0.808 nan 8.270 nan 0.000 0.458 118 P HA -0.006 nan 4.420 nan 0.000 0.274 118 P C -0.777 176.578 177.300 0.092 0.000 1.264 118 P CA -0.138 63.030 63.100 0.113 0.000 0.795 118 P CB 0.514 32.307 31.700 0.154 0.000 1.064 119 E N -0.182 120.063 120.200 0.076 0.000 2.344 119 E HA 0.029 4.388 4.350 0.015 0.000 0.270 119 E C 1.517 178.158 176.600 0.068 0.000 1.021 119 E CA -0.224 56.212 56.400 0.060 0.000 0.887 119 E CB 0.834 30.561 29.700 0.044 0.000 0.997 119 E HN 0.081 nan 8.360 nan 0.000 0.429 120 V N 3.747 123.699 119.914 0.063 0.000 2.311 120 V HA -0.349 3.780 4.120 0.015 0.000 0.256 120 V C 1.350 177.483 176.094 0.065 0.000 1.077 120 V CA 2.455 64.798 62.300 0.071 0.000 1.067 120 V CB -0.442 31.405 31.823 0.040 0.000 0.659 120 V HN 0.640 nan 8.190 nan 0.000 0.451 121 D N -0.380 120.045 120.400 0.042 0.000 2.183 121 D HA -0.118 4.531 4.640 0.015 0.000 0.203 121 D C 2.015 178.328 176.300 0.021 0.000 0.969 121 D CA 1.428 55.445 54.000 0.028 0.000 0.842 121 D CB -0.131 40.679 40.800 0.017 0.000 0.957 121 D HN 0.526 nan 8.370 nan 0.000 0.484 122 V N -1.819 118.114 119.914 0.031 0.000 2.591 122 V HA -0.086 4.043 4.120 0.015 0.000 0.249 122 V C 1.998 178.095 176.094 0.005 0.000 1.053 122 V CA 0.891 63.206 62.300 0.026 0.000 1.068 122 V CB -0.454 31.398 31.823 0.047 0.000 0.689 122 V HN 0.117 nan 8.190 nan 0.000 0.462 123 M N -0.250 119.364 119.600 0.023 0.000 2.077 123 M HA -0.115 4.374 4.480 0.015 0.000 0.261 123 M C 2.346 178.506 176.300 -0.233 0.000 1.070 123 M CA 2.469 57.740 55.300 -0.048 0.000 1.125 123 M CB -0.382 32.309 32.600 0.151 0.000 1.339 123 M HN 0.508 nan 8.290 nan 0.000 0.409 124 c N 0.028 118.618 118.600 -0.018 0.000 2.411 124 c HA -0.144 4.435 4.570 0.015 0.000 0.279 124 c C 2.681 176.793 174.090 0.037 0.000 1.288 124 c CA 1.553 57.918 56.329 0.060 0.000 1.764 124 c CB -1.120 41.453 42.510 0.105 0.000 1.974 124 c HN 0.603 nan 8.230 nan 0.000 0.498 125 T N 0.573 115.112 114.554 -0.026 0.000 2.857 125 T HA -0.022 4.337 4.350 0.015 0.000 0.266 125 T C 2.085 176.749 174.700 -0.060 0.000 1.048 125 T CA 1.331 63.417 62.100 -0.024 0.000 1.139 125 T CB -0.290 68.561 68.868 -0.028 0.000 0.874 125 T HN 0.619 nan 8.240 nan 0.000 0.455 126 A N 1.014 123.727 122.820 -0.178 0.000 1.969 126 A HA 0.044 4.373 4.320 0.015 0.000 0.218 126 A C 1.906 179.255 177.584 -0.391 0.000 1.169 126 A CA 0.913 52.810 52.037 -0.233 0.000 0.635 126 A CB -0.873 17.994 19.000 -0.222 0.000 0.810 126 A HN 0.479 nan 8.150 nan 0.000 0.445 127 F N -0.160 119.307 119.950 -0.805 0.000 2.451 127 F HA -0.066 4.470 4.527 0.015 0.000 0.299 127 F C 1.889 177.562 175.800 -0.212 0.000 1.101 127 F CA 1.679 59.279 58.000 -0.667 0.000 1.436 127 F CB -0.342 38.255 39.000 -0.671 0.000 1.074 127 F HN 0.506 nan 8.300 nan 0.000 0.553 128 H N -0.412 118.501 119.070 -0.260 0.000 2.344 128 H HA 0.005 4.570 4.556 0.015 0.000 0.307 128 H C 1.727 176.938 175.328 -0.196 0.000 1.057 128 H CA 2.079 57.984 56.048 -0.238 0.000 1.373 128 H CB -0.263 29.438 29.762 -0.103 0.000 1.421 128 H HN 0.221 nan 8.280 nan 0.000 0.532 129 D N -0.478 119.927 120.400 0.008 0.000 2.144 129 D HA -0.116 4.533 4.640 0.015 0.000 0.199 129 D C 0.196 176.447 176.300 -0.083 0.000 0.984 129 D CA 1.194 55.185 54.000 -0.016 0.000 0.834 129 D CB 0.161 40.975 40.800 0.025 0.000 0.955 129 D HN 0.161 nan 8.370 nan 0.000 0.465 130 N N -0.336 118.309 118.700 -0.092 0.000 2.824 130 N HA -0.022 4.727 4.740 0.015 0.000 0.224 130 N C 0.023 175.519 175.510 -0.023 0.000 1.418 130 N CA -0.130 52.891 53.050 -0.049 0.000 0.743 130 N CB 0.539 39.036 38.487 0.018 0.000 1.395 130 N HN 0.132 nan 8.380 nan 0.000 0.548 131 E N 0.988 121.104 120.200 -0.141 0.000 2.058 131 E HA -0.211 4.148 4.350 0.015 0.000 0.194 131 E C 0.830 177.516 176.600 0.142 0.000 0.997 131 E CA 1.153 57.496 56.400 -0.096 0.000 0.801 131 E CB 0.133 29.573 29.700 -0.434 0.000 0.746 131 E HN 0.504 nan 8.360 nan 0.000 0.450 132 E N -0.239 120.011 120.200 0.083 0.000 2.058 132 E HA -0.180 4.179 4.350 0.015 0.000 0.194 132 E C 2.250 178.942 176.600 0.153 0.000 0.997 132 E CA 2.048 58.518 56.400 0.117 0.000 0.801 132 E CB -0.127 29.622 29.700 0.081 0.000 0.746 132 E HN 0.530 nan 8.360 nan 0.000 0.450 133 T N -1.390 113.255 114.554 0.151 0.000 2.985 133 T HA -0.109 4.250 4.350 0.015 0.000 0.266 133 T C 1.769 176.530 174.700 0.102 0.000 1.076 133 T CA 0.597 62.795 62.100 0.163 0.000 1.135 133 T CB -0.418 68.541 68.868 0.151 0.000 0.890 133 T HN 0.137 nan 8.240 nan 0.000 0.480 134 F N 1.892 121.858 119.950 0.026 0.000 2.113 134 F HA 0.215 4.751 4.527 0.015 0.000 0.297 134 F C 1.787 177.645 175.800 0.097 0.000 1.103 134 F CA 0.996 59.021 58.000 0.042 0.000 1.248 134 F CB -0.420 38.605 39.000 0.041 0.000 0.999 134 F HN 0.116 nan 8.300 nan 0.000 0.475 135 L N -0.122 121.087 121.223 -0.024 0.000 2.179 135 L HA -0.092 4.257 4.340 0.015 0.000 0.208 135 L C 2.317 179.186 176.870 -0.001 0.000 1.096 135 L CA 0.617 55.404 54.840 -0.089 0.000 0.779 135 L CB -0.569 41.556 42.059 0.109 0.000 0.922 135 L HN -0.095 nan 8.230 nan 0.000 0.443 136 K N 0.274 120.725 120.400 0.085 0.000 2.148 136 K HA -0.107 4.222 4.320 0.015 0.000 0.204 136 K C 2.011 178.726 176.600 0.193 0.000 1.050 136 K CA 1.058 57.476 56.287 0.219 0.000 0.942 136 K CB -0.100 32.621 32.500 0.369 0.000 0.724 136 K HN 0.217 nan 8.250 nan 0.000 0.446 137 K N -0.538 119.706 120.400 -0.259 0.000 2.062 137 K HA -0.079 4.250 4.320 0.015 0.000 0.205 137 K C 2.040 178.453 176.600 -0.311 0.000 1.051 137 K CA 1.140 56.994 56.287 -0.721 0.000 0.941 137 K CB -0.047 31.885 32.500 -0.947 0.000 0.719 137 K HN 0.088 nan 8.250 nan 0.000 0.440 138 Y N 0.403 120.513 120.300 -0.315 0.000 2.395 138 Y HA -0.148 4.411 4.550 0.015 0.000 0.293 138 Y C 1.968 177.767 175.900 -0.167 0.000 1.123 138 Y CA 0.419 58.347 58.100 -0.286 0.000 1.227 138 Y CB 0.033 38.214 38.460 -0.465 0.000 1.012 138 Y HN 0.025 nan 8.280 nan 0.000 0.552 139 L N -0.799 120.459 121.223 0.058 0.000 2.056 139 L HA -0.225 4.124 4.340 0.015 0.000 0.207 139 L C 2.327 179.272 176.870 0.124 0.000 1.078 139 L CA 1.726 56.617 54.840 0.084 0.000 0.749 139 L CB -1.001 41.138 42.059 0.132 0.000 0.901 139 L HN 0.370 nan 8.230 nan 0.000 0.433 140 Y N 0.176 120.528 120.300 0.087 0.000 2.181 140 Y HA -0.214 4.345 4.550 0.015 0.000 0.288 140 Y C 2.281 178.212 175.900 0.052 0.000 1.146 140 Y CA 1.959 60.153 58.100 0.156 0.000 1.164 140 Y CB -0.212 38.471 38.460 0.372 0.000 0.982 140 Y HN 0.270 nan 8.280 nan 0.000 0.515 141 E N 0.516 120.558 120.200 -0.263 0.000 2.051 141 E HA -0.168 4.191 4.350 0.015 0.000 0.192 141 E C 2.232 178.654 176.600 -0.297 0.000 0.991 141 E CA 1.408 57.569 56.400 -0.399 0.000 0.799 141 E CB -0.363 29.160 29.700 -0.294 0.000 0.748 141 E HN 0.483 nan 8.360 nan 0.000 0.449 142 I N 1.535 121.998 120.570 -0.179 0.000 2.142 142 I HA -0.196 3.983 4.170 0.015 0.000 0.240 142 I C 2.518 178.541 176.117 -0.157 0.000 1.078 142 I CA 1.086 62.290 61.300 -0.160 0.000 1.343 142 I CB -1.837 36.096 38.000 -0.110 0.000 1.046 142 I HN -0.051 nan 8.210 nan 0.000 0.405 143 A N 2.030 124.795 122.820 -0.092 0.000 1.873 143 A HA -0.251 4.078 4.320 0.015 0.000 0.218 143 A C 2.446 179.988 177.584 -0.069 0.000 1.193 143 A CA 2.418 54.438 52.037 -0.029 0.000 0.629 143 A CB -0.815 18.209 19.000 0.040 0.000 0.826 143 A HN 0.564 nan 8.150 nan 0.000 0.447 144 R N -0.770 119.635 120.500 -0.159 0.000 2.193 144 R HA -0.065 4.284 4.340 0.015 0.000 0.229 144 R C 1.848 178.048 176.300 -0.167 0.000 1.110 144 R CA 1.629 57.640 56.100 -0.149 0.000 0.988 144 R CB -0.343 29.805 30.300 -0.253 0.000 0.871 144 R HN 0.439 nan 8.270 nan 0.000 0.458 145 R N -0.260 120.078 120.500 -0.270 0.000 2.246 145 R HA 0.096 4.445 4.340 0.015 0.000 0.199 145 R C -0.036 175.985 176.300 -0.465 0.000 0.984 145 R CA 0.736 56.600 56.100 -0.394 0.000 1.015 145 R CB 0.263 30.232 30.300 -0.551 0.000 0.930 145 R HN 0.443 nan 8.270 nan 0.000 0.475 146 H N -0.426 118.611 119.070 -0.056 0.000 2.448 146 H HA 0.146 4.712 4.556 0.015 0.000 0.237 146 H C -1.897 173.457 175.328 0.044 0.000 1.391 146 H CA -1.868 54.178 56.048 -0.003 0.000 1.477 146 H CB 1.439 31.170 29.762 -0.051 0.000 1.520 146 H HN -0.012 nan 8.280 nan 0.000 0.502 147 P HA -0.172 nan 4.420 nan 0.000 0.229 147 P C 1.036 178.352 177.300 0.027 0.000 1.160 147 P CA 1.233 64.343 63.100 0.017 0.000 0.777 147 P CB 0.128 31.794 31.700 -0.056 0.000 0.814 148 Y N -1.610 118.747 120.300 0.095 0.000 2.457 148 Y HA 0.333 4.892 4.550 0.015 0.000 0.263 148 Y C 0.792 176.782 175.900 0.149 0.000 1.164 148 Y CA -1.114 57.033 58.100 0.079 0.000 1.274 148 Y CB -1.116 37.377 38.460 0.053 0.000 1.097 148 Y HN -0.168 nan 8.280 nan 0.000 0.523 149 F N 1.210 121.204 119.950 0.073 0.000 2.504 149 F HA 0.396 4.931 4.527 0.015 0.000 0.369 149 F C 0.300 176.185 175.800 0.142 0.000 1.082 149 F CA -1.458 56.606 58.000 0.106 0.000 1.216 149 F CB 0.156 39.217 39.000 0.102 0.000 1.108 149 F HN 0.327 nan 8.300 nan 0.000 0.554 150 Y N 7.028 127.159 120.300 -0.282 0.000 2.802 150 Y HA 0.143 4.702 4.550 0.015 0.000 0.351 150 Y C 1.115 177.046 175.900 0.051 0.000 1.237 150 Y CA -0.169 57.852 58.100 -0.132 0.000 1.599 150 Y CB -0.000 38.330 38.460 -0.216 0.000 1.214 150 Y HN 0.797 nan 8.280 nan 0.000 0.520 151 A N 7.623 130.288 122.820 -0.259 0.000 1.873 151 A HA -0.271 4.058 4.320 0.015 0.000 0.219 151 A C -0.196 177.257 177.584 -0.219 0.000 1.269 151 A CA 2.252 54.181 52.037 -0.180 0.000 0.671 151 A CB -1.984 16.889 19.000 -0.211 0.000 0.842 151 A HN 0.692 nan 8.150 nan 0.000 0.460 152 P HA -0.181 nan 4.420 nan 0.000 0.217 152 P C 1.360 178.643 177.300 -0.030 0.000 1.148 152 P CA 1.724 64.670 63.100 -0.257 0.000 0.834 152 P CB -0.072 31.430 31.700 -0.331 0.000 0.783 153 E N -1.184 119.033 120.200 0.029 0.000 2.158 153 E HA -0.121 4.238 4.350 0.015 0.000 0.191 153 E C 1.752 178.690 176.600 0.563 0.000 0.982 153 E CA 0.403 56.941 56.400 0.231 0.000 0.823 153 E CB -0.339 29.502 29.700 0.234 0.000 0.766 153 E HN 0.045 nan 8.360 nan 0.000 0.468 154 L N 0.936 122.514 121.223 0.591 0.000 2.056 154 L HA -0.122 4.227 4.340 0.015 0.000 0.207 154 L C 2.199 179.312 176.870 0.406 0.000 1.078 154 L CA 1.127 56.333 54.840 0.610 0.000 0.749 154 L CB -0.578 41.741 42.059 0.433 0.000 0.901 154 L HN 0.218 nan 8.230 nan 0.000 0.433 155 L N -1.350 120.030 121.223 0.262 0.000 2.131 155 L HA -0.201 4.148 4.340 0.015 0.000 0.210 155 L C 2.272 179.259 176.870 0.194 0.000 1.092 155 L CA 1.603 56.553 54.840 0.183 0.000 0.759 155 L CB -0.943 41.178 42.059 0.103 0.000 0.903 155 L HN 0.362 nan 8.230 nan 0.000 0.435 156 F N -0.955 119.021 119.950 0.044 0.000 2.146 156 F HA -0.219 4.317 4.527 0.015 0.000 0.298 156 F C 1.954 177.732 175.800 -0.037 0.000 1.096 156 F CA 1.446 59.394 58.000 -0.087 0.000 1.275 156 F CB -0.411 38.387 39.000 -0.336 0.000 1.008 156 F HN 0.066 nan 8.300 nan 0.000 0.480 157 F N 0.758 120.794 119.950 0.144 0.000 2.146 157 F HA -0.075 4.461 4.527 0.015 0.000 0.298 157 F C 2.641 178.523 175.800 0.137 0.000 1.096 157 F CA 1.318 59.377 58.000 0.098 0.000 1.275 157 F CB -1.361 37.813 39.000 0.290 0.000 1.008 157 F HN 0.088 nan 8.300 nan 0.000 0.480 158 A N 0.507 123.542 122.820 0.358 0.000 1.903 158 A HA -0.295 4.034 4.320 0.015 0.000 0.219 158 A C 2.208 179.922 177.584 0.216 0.000 1.191 158 A CA 2.300 54.506 52.037 0.282 0.000 0.638 158 A CB -0.767 18.346 19.000 0.188 0.000 0.823 158 A HN 0.424 nan 8.150 nan 0.000 0.451 159 K N -0.881 119.562 120.400 0.071 0.000 2.211 159 K HA -0.078 4.251 4.320 0.015 0.000 0.203 159 K C 2.067 178.647 176.600 -0.033 0.000 1.050 159 K CA 1.222 57.518 56.287 0.016 0.000 0.945 159 K CB -0.136 32.327 32.500 -0.061 0.000 0.732 159 K HN 0.419 nan 8.250 nan 0.000 0.451 160 R N -0.402 120.020 120.500 -0.129 0.000 2.193 160 R HA -0.032 4.317 4.340 0.015 0.000 0.213 160 R C 1.615 177.844 176.300 -0.118 0.000 1.055 160 R CA 0.842 56.828 56.100 -0.189 0.000 0.995 160 R CB -0.052 30.056 30.300 -0.320 0.000 0.893 160 R HN 0.194 nan 8.270 nan 0.000 0.459 161 Y N 0.663 120.982 120.300 0.033 0.000 2.286 161 Y HA -0.071 4.488 4.550 0.015 0.000 0.293 161 Y C 2.309 178.323 175.900 0.190 0.000 1.124 161 Y CA 1.170 59.328 58.100 0.096 0.000 1.178 161 Y CB 0.110 38.673 38.460 0.173 0.000 1.010 161 Y HN -0.122 nan 8.280 nan 0.000 0.536 162 K N 0.047 120.649 120.400 0.336 0.000 2.155 162 K HA -0.076 4.253 4.320 0.015 0.000 0.203 162 K C 2.087 178.808 176.600 0.202 0.000 1.052 162 K CA 0.979 57.461 56.287 0.324 0.000 0.948 162 K CB -0.152 32.530 32.500 0.302 0.000 0.728 162 K HN 0.214 nan 8.250 nan 0.000 0.448 163 A N 0.545 123.422 122.820 0.096 0.000 2.066 163 A HA 0.034 4.363 4.320 0.015 0.000 0.218 163 A C 2.132 179.698 177.584 -0.029 0.000 1.157 163 A CA 1.404 53.463 52.037 0.037 0.000 0.670 163 A CB -0.410 18.582 19.000 -0.012 0.000 0.804 163 A HN 0.439 nan 8.150 nan 0.000 0.453 164 A N -1.444 121.309 122.820 -0.112 0.000 1.975 164 A HA 0.248 4.577 4.320 0.015 0.000 0.215 164 A C 1.727 179.104 177.584 -0.345 0.000 1.170 164 A CA 0.837 52.722 52.037 -0.254 0.000 0.656 164 A CB -0.496 18.270 19.000 -0.390 0.000 0.821 164 A HN 0.407 nan 8.150 nan 0.000 0.449 165 F N 0.245 120.020 119.950 -0.293 0.000 2.367 165 F HA -0.018 4.518 4.527 0.015 0.000 0.298 165 F C 2.562 178.120 175.800 -0.403 0.000 1.094 165 F CA 1.562 59.184 58.000 -0.630 0.000 1.409 165 F CB -0.518 37.585 39.000 -1.495 0.000 1.064 165 F HN 0.101 nan 8.300 nan 0.000 0.528 166 T N -0.878 113.716 114.554 0.067 0.000 2.851 166 T HA -0.160 4.199 4.350 0.015 0.000 0.262 166 T C 1.946 176.740 174.700 0.156 0.000 1.043 166 T CA 1.390 63.667 62.100 0.296 0.000 1.140 166 T CB -0.108 68.922 68.868 0.271 0.000 0.872 166 T HN 0.354 nan 8.240 nan 0.000 0.446 167 E N -0.274 119.960 120.200 0.056 0.000 2.076 167 E HA -0.085 4.274 4.350 0.015 0.000 0.190 167 E C 2.052 178.657 176.600 0.008 0.000 0.979 167 E CA 0.904 57.320 56.400 0.026 0.000 0.807 167 E CB -0.098 29.596 29.700 -0.010 0.000 0.761 167 E HN 0.426 nan 8.360 nan 0.000 0.454 168 c N 0.339 118.917 118.600 -0.036 0.000 2.485 168 c HA 0.053 4.632 4.570 0.015 0.000 0.278 168 c C 2.480 176.574 174.090 0.007 0.000 1.356 168 c CA -0.051 56.251 56.329 -0.045 0.000 1.747 168 c CB -0.668 41.767 42.510 -0.126 0.000 2.001 168 c HN 0.598 nan 8.230 nan 0.000 0.501 169 c N 0.916 119.552 118.600 0.059 0.000 2.525 169 c HA 0.116 4.695 4.570 0.015 0.000 0.279 169 c C 2.659 176.820 174.090 0.117 0.000 1.437 169 c CA 1.359 57.760 56.329 0.121 0.000 1.704 169 c CB -2.194 40.464 42.510 0.247 0.000 1.672 169 c HN 0.813 nan 8.230 nan 0.000 0.582 170 Q N -0.470 119.384 119.800 0.090 0.000 2.316 170 Q HA 0.631 4.980 4.340 0.015 0.000 0.235 170 Q C 0.922 176.948 176.000 0.043 0.000 0.863 170 Q CA 0.774 56.623 55.803 0.076 0.000 0.939 170 Q CB -0.040 28.748 28.738 0.084 0.000 1.108 170 Q HN 0.660 nan 8.270 nan 0.000 0.522 171 A N 0.171 123.009 122.820 0.029 0.000 2.322 171 A HA 0.760 5.089 4.320 0.015 0.000 0.269 171 A C 1.647 179.238 177.584 0.011 0.000 1.094 171 A CA 0.248 52.294 52.037 0.015 0.000 0.807 171 A CB 0.392 19.394 19.000 0.004 0.000 1.047 171 A HN 0.983 nan 8.150 nan 0.000 0.487 172 A N 0.426 123.250 122.820 0.007 0.000 1.902 172 A HA -0.058 4.271 4.320 0.015 0.000 0.217 172 A C 1.145 178.730 177.584 0.001 0.000 1.181 172 A CA 1.860 53.900 52.037 0.004 0.000 0.623 172 A CB -0.272 18.730 19.000 0.002 0.000 0.818 172 A HN 0.708 nan 8.150 nan 0.000 0.443 173 D N -0.320 120.079 120.400 -0.002 0.000 3.110 173 D HA 0.205 4.854 4.640 0.015 0.000 0.254 173 D C 0.983 177.278 176.300 -0.008 0.000 1.283 173 D CA -0.055 53.942 54.000 -0.005 0.000 0.944 173 D CB -0.055 40.741 40.800 -0.007 0.000 1.066 173 D HN 0.361 nan 8.370 nan 0.000 0.496 174 K N 0.341 120.738 120.400 -0.004 0.000 2.015 174 K HA -0.274 4.055 4.320 0.015 0.000 0.220 174 K C 1.910 178.497 176.600 -0.020 0.000 1.055 174 K CA 1.765 58.047 56.287 -0.008 0.000 0.951 174 K CB -0.170 32.334 32.500 0.006 0.000 0.725 174 K HN 0.239 nan 8.250 nan 0.000 0.449 175 A N 1.498 124.310 122.820 -0.012 0.000 1.892 175 A HA -0.201 4.128 4.320 0.015 0.000 0.218 175 A C 2.399 179.969 177.584 -0.024 0.000 1.188 175 A CA 2.253 54.281 52.037 -0.015 0.000 0.631 175 A CB -0.852 18.145 19.000 -0.005 0.000 0.822 175 A HN 0.440 nan 8.150 nan 0.000 0.447 176 A N -1.891 120.917 122.820 -0.020 0.000 2.121 176 A HA -0.059 4.270 4.320 0.015 0.000 0.218 176 A C 2.219 179.783 177.584 -0.032 0.000 1.154 176 A CA 1.548 53.571 52.037 -0.022 0.000 0.679 176 A CB -1.006 17.984 19.000 -0.016 0.000 0.795 176 A HN 0.730 nan 8.150 nan 0.000 0.458 177 c N -1.740 116.836 118.600 -0.041 0.000 2.823 177 c HA 0.197 4.776 4.570 0.015 0.000 0.284 177 c C 2.316 176.352 174.090 -0.090 0.000 1.358 177 c CA 0.885 57.180 56.329 -0.057 0.000 1.697 177 c CB -1.080 41.398 42.510 -0.052 0.000 2.137 177 c HN 0.537 nan 8.230 nan 0.000 0.564 178 L N 1.154 122.309 121.223 -0.113 0.000 2.012 178 L HA -0.077 4.272 4.340 0.015 0.000 0.210 178 L C 2.254 179.037 176.870 -0.145 0.000 1.073 178 L CA 1.963 56.695 54.840 -0.180 0.000 0.748 178 L CB -1.042 40.902 42.059 -0.191 0.000 0.891 178 L HN 0.307 nan 8.230 nan 0.000 0.431 179 L N 0.238 121.411 121.223 -0.083 0.000 2.013 179 L HA -0.172 4.177 4.340 0.015 0.000 0.212 179 L C -0.446 176.396 176.870 -0.047 0.000 1.073 179 L CA 2.483 57.293 54.840 -0.051 0.000 0.753 179 L CB -2.175 39.869 42.059 -0.026 0.000 0.890 179 L HN 0.299 nan 8.230 nan 0.000 0.432 180 P HA -0.144 nan 4.420 nan 0.000 0.226 180 P C 1.119 178.388 177.300 -0.052 0.000 1.153 180 P CA 1.306 64.385 63.100 -0.037 0.000 0.777 180 P CB 0.008 31.690 31.700 -0.030 0.000 0.794 181 K N -0.276 120.070 120.400 -0.090 0.000 2.137 181 K HA 0.100 4.429 4.320 0.015 0.000 0.202 181 K C 2.227 178.743 176.600 -0.139 0.000 1.052 181 K CA 0.687 56.898 56.287 -0.126 0.000 0.961 181 K CB -0.446 31.944 32.500 -0.183 0.000 0.741 181 K HN 0.158 nan 8.250 nan 0.000 0.452 182 L N 1.504 122.659 121.223 -0.113 0.000 2.201 182 L HA -0.165 4.184 4.340 0.015 0.000 0.212 182 L C 1.377 178.259 176.870 0.019 0.000 1.105 182 L CA 1.220 56.045 54.840 -0.026 0.000 0.775 182 L CB -0.469 41.599 42.059 0.015 0.000 0.913 182 L HN 0.195 nan 8.230 nan 0.000 0.440 183 D N -0.377 120.022 120.400 -0.001 0.000 2.137 183 D HA -0.163 4.486 4.640 0.015 0.000 0.202 183 D C 1.976 178.288 176.300 0.020 0.000 0.970 183 D CA 0.809 54.820 54.000 0.018 0.000 0.837 183 D CB 0.167 40.975 40.800 0.013 0.000 0.981 183 D HN 0.297 nan 8.370 nan 0.000 0.475 184 E N 0.028 120.228 120.200 0.000 0.000 2.017 184 E HA -0.158 4.201 4.350 0.015 0.000 0.193 184 E C 1.888 178.508 176.600 0.032 0.000 0.997 184 E CA 0.663 57.073 56.400 0.016 0.000 0.804 184 E CB -0.026 29.671 29.700 -0.005 0.000 0.757 184 E HN -0.035 nan 8.360 nan 0.000 0.448 185 L N 1.451 122.654 121.223 -0.035 0.000 2.013 185 L HA -0.197 4.152 4.340 0.015 0.000 0.212 185 L C 2.573 179.473 176.870 0.050 0.000 1.073 185 L CA 1.872 56.683 54.840 -0.048 0.000 0.753 185 L CB -1.082 40.695 42.059 -0.470 0.000 0.890 185 L HN 0.205 nan 8.230 nan 0.000 0.432 186 R N -0.465 120.079 120.500 0.074 0.000 2.083 186 R HA -0.188 4.161 4.340 0.015 0.000 0.237 186 R C 1.873 178.196 176.300 0.039 0.000 1.137 186 R CA 1.920 58.063 56.100 0.073 0.000 0.951 186 R CB -0.337 30.012 30.300 0.080 0.000 0.851 186 R HN 0.397 nan 8.270 nan 0.000 0.434 187 D N -0.044 120.390 120.400 0.058 0.000 2.269 187 D HA -0.125 4.524 4.640 0.015 0.000 0.208 187 D C 1.561 177.928 176.300 0.112 0.000 0.963 187 D CA 0.848 54.891 54.000 0.071 0.000 0.864 187 D CB 0.151 40.992 40.800 0.068 0.000 0.936 187 D HN 0.446 nan 8.370 nan 0.000 0.505 188 E N -0.165 120.124 120.200 0.148 0.000 2.112 188 E HA -0.047 4.312 4.350 0.015 0.000 0.190 188 E C 2.017 178.780 176.600 0.271 0.000 0.979 188 E CA 0.595 57.151 56.400 0.259 0.000 0.814 188 E CB 0.107 30.023 29.700 0.360 0.000 0.762 188 E HN 0.175 nan 8.360 nan 0.000 0.460 189 G N 0.797 109.598 108.800 0.000 0.000 2.430 189 G HA2 -0.179 3.790 3.960 0.015 0.000 0.216 189 G HA3 -0.179 3.790 3.960 0.015 0.000 0.216 189 G C 1.488 176.318 174.900 -0.118 0.000 1.146 189 G CA 0.182 45.056 45.100 -0.376 0.000 0.793 189 G HN 0.066 nan 8.290 nan 0.000 0.537 190 K N 0.447 120.818 120.400 -0.049 0.000 2.155 190 K HA 0.112 4.441 4.320 0.015 0.000 0.203 190 K C 2.877 179.511 176.600 0.057 0.000 1.052 190 K CA 0.841 57.117 56.287 -0.019 0.000 0.948 190 K CB -0.066 32.437 32.500 0.005 0.000 0.728 190 K HN 0.262 nan 8.250 nan 0.000 0.448 191 A N 1.163 124.050 122.820 0.112 0.000 1.897 191 A HA -0.147 4.182 4.320 0.015 0.000 0.215 191 A C 2.198 179.876 177.584 0.157 0.000 1.181 191 A CA 1.958 54.082 52.037 0.144 0.000 0.620 191 A CB -0.605 18.512 19.000 0.194 0.000 0.821 191 A HN 0.327 nan 8.150 nan 0.000 0.443 192 S N -0.221 115.617 115.700 0.230 0.000 2.382 192 S HA -0.165 4.314 4.470 0.015 0.000 0.228 192 S C 2.257 177.002 174.600 0.241 0.000 1.027 192 S CA 2.141 60.509 58.200 0.281 0.000 0.991 192 S CB -0.526 62.984 63.200 0.516 0.000 0.823 192 S HN 0.687 nan 8.310 nan 0.000 0.469 193 S N 0.986 116.849 115.700 0.272 0.000 2.371 193 S HA 0.155 4.634 4.470 0.015 0.000 0.224 193 S C 2.163 176.825 174.600 0.103 0.000 1.029 193 S CA 1.143 59.488 58.200 0.242 0.000 0.978 193 S CB -0.917 62.350 63.200 0.111 0.000 0.833 193 S HN 0.778 nan 8.310 nan 0.000 0.466 194 A N 1.488 124.353 122.820 0.074 0.000 1.933 194 A HA -0.049 4.280 4.320 0.015 0.000 0.218 194 A C 2.173 179.782 177.584 0.042 0.000 1.175 194 A CA 1.609 53.676 52.037 0.050 0.000 0.628 194 A CB -0.599 18.430 19.000 0.048 0.000 0.814 194 A HN 0.645 nan 8.150 nan 0.000 0.444 195 K N -0.645 119.785 120.400 0.050 0.000 2.057 195 K HA -0.228 4.101 4.320 0.015 0.000 0.207 195 K C 2.414 179.026 176.600 0.020 0.000 1.049 195 K CA 1.752 58.056 56.287 0.030 0.000 0.931 195 K CB -0.173 32.353 32.500 0.044 0.000 0.714 195 K HN 0.763 nan 8.250 nan 0.000 0.440 196 Q N 0.794 120.610 119.800 0.027 0.000 2.079 196 Q HA -0.195 4.154 4.340 0.015 0.000 0.200 196 Q C 2.205 178.213 176.000 0.012 0.000 0.974 196 Q CA 1.999 57.808 55.803 0.010 0.000 0.840 196 Q CB -0.110 28.605 28.738 -0.037 0.000 0.898 196 Q HN 0.202 nan 8.270 nan 0.000 0.430 197 R N 0.598 121.110 120.500 0.020 0.000 2.189 197 R HA -0.024 4.325 4.340 0.015 0.000 0.223 197 R C 2.023 178.327 176.300 0.007 0.000 1.092 197 R CA 1.324 57.435 56.100 0.018 0.000 0.989 197 R CB -1.232 29.086 30.300 0.030 0.000 0.876 197 R HN 0.462 nan 8.270 nan 0.000 0.457 198 L N 0.226 121.450 121.223 0.002 0.000 2.131 198 L HA 0.132 4.481 4.340 0.015 0.000 0.206 198 L C 2.057 178.905 176.870 -0.037 0.000 1.087 198 L CA 1.834 56.667 54.840 -0.012 0.000 0.767 198 L CB -0.192 41.857 42.059 -0.018 0.000 0.917 198 L HN 0.297 nan 8.230 nan 0.000 0.441 199 K N -1.275 119.099 120.400 -0.045 0.000 2.057 199 K HA -0.115 4.214 4.320 0.015 0.000 0.206 199 K C 2.063 178.634 176.600 -0.048 0.000 1.050 199 K CA 1.549 57.796 56.287 -0.067 0.000 0.935 199 K CB -0.344 32.151 32.500 -0.008 0.000 0.715 199 K HN 0.412 nan 8.250 nan 0.000 0.439 200 c N 0.401 118.986 118.600 -0.026 0.000 2.432 200 c HA -0.004 4.575 4.570 0.015 0.000 0.282 200 c C 2.707 176.773 174.090 -0.041 0.000 1.388 200 c CA 0.587 56.890 56.329 -0.042 0.000 1.777 200 c CB -0.817 41.679 42.510 -0.023 0.000 1.882 200 c HN 0.499 nan 8.230 nan 0.000 0.520 201 A N 0.270 123.077 122.820 -0.022 0.000 1.898 201 A HA -0.070 4.259 4.320 0.015 0.000 0.214 201 A C 2.271 179.857 177.584 0.003 0.000 1.183 201 A CA 1.924 53.951 52.037 -0.017 0.000 0.622 201 A CB -0.617 18.382 19.000 -0.001 0.000 0.824 201 A HN 0.506 nan 8.150 nan 0.000 0.444 202 S N -0.286 115.448 115.700 0.058 0.000 2.345 202 S HA -0.130 4.349 4.470 0.015 0.000 0.220 202 S C 1.824 176.526 174.600 0.169 0.000 1.031 202 S CA 1.368 59.697 58.200 0.215 0.000 0.996 202 S CB -0.528 62.753 63.200 0.134 0.000 0.882 202 S HN 0.459 nan 8.310 nan 0.000 0.445 203 L N 1.487 122.723 121.223 0.022 0.000 2.270 203 L HA -0.263 4.086 4.340 0.015 0.000 0.217 203 L C 2.748 179.592 176.870 -0.045 0.000 1.107 203 L CA 2.032 56.823 54.840 -0.082 0.000 0.772 203 L CB -0.593 41.283 42.059 -0.306 0.000 0.902 203 L HN 0.485 nan 8.230 nan 0.000 0.439 204 Q N -0.599 119.173 119.800 -0.047 0.000 2.084 204 Q HA -0.122 4.227 4.340 0.015 0.000 0.194 204 Q C 2.219 178.147 176.000 -0.119 0.000 0.969 204 Q CA 1.287 57.048 55.803 -0.071 0.000 0.829 204 Q CB -0.540 28.155 28.738 -0.072 0.000 0.904 204 Q HN 0.556 nan 8.270 nan 0.000 0.464 205 K N -0.225 120.041 120.400 -0.224 0.000 1.973 205 K HA -0.029 4.300 4.320 0.015 0.000 0.212 205 K C 1.889 178.189 176.600 -0.501 0.000 1.047 205 K CA 1.794 57.791 56.287 -0.483 0.000 0.937 205 K CB -0.280 31.690 32.500 -0.884 0.000 0.721 205 K HN 0.495 nan 8.250 nan 0.000 0.440 206 F N 0.269 120.218 119.950 -0.001 0.000 2.569 206 F HA 0.206 4.742 4.527 0.015 0.000 0.295 206 F C 1.357 177.173 175.800 0.027 0.000 1.115 206 F CA 0.321 58.330 58.000 0.014 0.000 1.450 206 F CB -0.181 38.831 39.000 0.020 0.000 1.107 206 F HN 0.237 nan 8.300 nan 0.000 0.563 207 G N 0.545 109.450 108.800 0.175 0.000 2.710 207 G HA2 -0.248 3.721 3.960 0.015 0.000 0.668 207 G HA3 -0.248 3.721 3.960 0.015 0.000 0.668 207 G C 0.339 175.334 174.900 0.159 0.000 1.320 207 G CA -0.054 45.117 45.100 0.119 0.000 0.860 207 G HN 0.223 nan 8.290 nan 0.000 0.538 208 E N -0.397 119.875 120.200 0.120 0.000 2.033 208 E HA -0.196 4.163 4.350 0.015 0.000 0.199 208 E C 2.618 179.339 176.600 0.202 0.000 1.011 208 E CA 1.609 58.103 56.400 0.157 0.000 0.815 208 E CB -0.107 29.655 29.700 0.104 0.000 0.755 208 E HN 0.507 nan 8.360 nan 0.000 0.451 209 R N -0.194 120.398 120.500 0.153 0.000 2.143 209 R HA -0.281 4.068 4.340 0.015 0.000 0.239 209 R C 2.291 178.682 176.300 0.153 0.000 1.126 209 R CA 1.812 57.998 56.100 0.143 0.000 0.927 209 R CB -0.523 29.850 30.300 0.120 0.000 0.860 209 R HN 0.258 nan 8.270 nan 0.000 0.433 210 A N 0.060 122.974 122.820 0.157 0.000 1.908 210 A HA -0.225 4.104 4.320 0.015 0.000 0.218 210 A C 2.035 179.709 177.584 0.149 0.000 1.181 210 A CA 1.587 53.697 52.037 0.121 0.000 0.627 210 A CB -0.793 18.265 19.000 0.097 0.000 0.818 210 A HN 0.546 nan 8.150 nan 0.000 0.445 211 F N 0.544 120.536 119.950 0.069 0.000 2.146 211 F HA -0.101 4.436 4.527 0.015 0.000 0.298 211 F C 2.176 178.065 175.800 0.150 0.000 1.096 211 F CA 2.012 60.055 58.000 0.072 0.000 1.275 211 F CB -0.127 38.882 39.000 0.015 0.000 1.008 211 F HN 0.117 nan 8.300 nan 0.000 0.480 212 K N 0.120 120.635 120.400 0.192 0.000 2.057 212 K HA -0.143 4.186 4.320 0.015 0.000 0.207 212 K C 2.320 178.931 176.600 0.019 0.000 1.049 212 K CA 1.172 57.518 56.287 0.099 0.000 0.931 212 K CB -0.577 32.008 32.500 0.142 0.000 0.714 212 K HN 0.339 nan 8.250 nan 0.000 0.440 213 A N 1.020 123.874 122.820 0.057 0.000 1.883 213 A HA -0.218 4.111 4.320 0.015 0.000 0.217 213 A C 1.942 179.511 177.584 -0.025 0.000 1.186 213 A CA 1.532 53.592 52.037 0.039 0.000 0.624 213 A CB -1.016 18.022 19.000 0.063 0.000 0.822 213 A HN 0.581 nan 8.150 nan 0.000 0.444 214 W N 0.513 121.683 121.300 -0.218 0.000 2.332 214 W HA -0.201 4.467 4.660 0.013 0.000 0.321 214 W C 2.555 178.875 176.519 -0.331 0.000 1.219 214 W CA 2.696 59.865 57.345 -0.293 0.000 1.277 214 W CB -0.468 28.756 29.460 -0.393 0.000 1.161 214 W HN 0.358 nan 8.180 nan 0.000 0.476 215 A N -0.402 122.226 122.820 -0.320 0.000 1.978 215 A HA -0.189 4.140 4.320 0.015 0.000 0.220 215 A C 2.028 179.410 177.584 -0.337 0.000 1.170 215 A CA 2.205 53.989 52.037 -0.420 0.000 0.636 215 A CB -1.202 17.630 19.000 -0.281 0.000 0.810 215 A HN 0.244 nan 8.150 nan 0.000 0.448 216 V N -0.441 119.340 119.914 -0.222 0.000 2.307 216 V HA -0.226 3.903 4.120 0.015 0.000 0.245 216 V C 3.054 179.041 176.094 -0.179 0.000 1.045 216 V CA 1.977 64.193 62.300 -0.139 0.000 1.024 216 V CB -1.020 30.779 31.823 -0.040 0.000 0.651 216 V HN 0.620 nan 8.190 nan 0.000 0.449 217 A N -0.153 122.513 122.820 -0.256 0.000 1.930 217 A HA -0.240 4.089 4.320 0.015 0.000 0.217 217 A C 2.290 179.639 177.584 -0.391 0.000 1.175 217 A CA 2.100 53.965 52.037 -0.287 0.000 0.627 217 A CB -0.472 18.346 19.000 -0.302 0.000 0.815 217 A HN 0.499 nan 8.150 nan 0.000 0.443 218 R N -0.370 119.779 120.500 -0.586 0.000 2.062 218 R HA 0.097 4.446 4.340 0.015 0.000 0.229 218 R C 1.981 177.987 176.300 -0.490 0.000 1.128 218 R CA 1.246 56.966 56.100 -0.633 0.000 0.960 218 R CB -0.534 29.166 30.300 -0.999 0.000 0.855 218 R HN 0.462 nan 8.270 nan 0.000 0.432 219 L N 0.464 121.436 121.223 -0.419 0.000 2.046 219 L HA -0.169 4.180 4.340 0.015 0.000 0.208 219 L C 2.250 178.941 176.870 -0.298 0.000 1.077 219 L CA 1.847 56.471 54.840 -0.361 0.000 0.747 219 L CB -0.409 41.569 42.059 -0.136 0.000 0.896 219 L HN 0.409 nan 8.230 nan 0.000 0.432 220 S N -1.776 113.833 115.700 -0.151 0.000 2.515 220 S HA -0.180 4.299 4.470 0.015 0.000 0.231 220 S C 1.730 176.226 174.600 -0.174 0.000 0.987 220 S CA 0.560 58.730 58.200 -0.049 0.000 0.936 220 S CB -0.015 63.217 63.200 0.054 0.000 0.766 220 S HN 0.439 nan 8.310 nan 0.000 0.528 221 Q N 0.807 120.452 119.800 -0.259 0.000 2.163 221 Q HA 0.109 4.458 4.340 0.015 0.000 0.198 221 Q C 2.307 178.149 176.000 -0.263 0.000 0.954 221 Q CA 0.604 56.255 55.803 -0.254 0.000 0.851 221 Q CB 0.103 28.677 28.738 -0.273 0.000 0.928 221 Q HN 0.428 nan 8.270 nan 0.000 0.459 222 R N -0.403 119.851 120.500 -0.410 0.000 2.075 222 R HA -0.016 4.333 4.340 0.015 0.000 0.226 222 R C 0.203 176.348 176.300 -0.257 0.000 1.114 222 R CA 0.733 56.538 56.100 -0.491 0.000 0.972 222 R CB 0.061 29.783 30.300 -0.963 0.000 0.869 222 R HN 0.151 nan 8.270 nan 0.000 0.437 223 F N 2.271 122.185 119.950 -0.061 0.000 2.387 223 F HA 0.334 4.871 4.527 0.016 0.000 0.332 223 F C -1.535 174.251 175.800 -0.023 0.000 1.174 223 F CA -3.568 54.413 58.000 -0.032 0.000 1.257 223 F CB 0.627 39.621 39.000 -0.011 0.000 1.569 223 F HN -0.084 nan 8.300 nan 0.000 0.554 224 P HA -0.106 nan 4.420 nan 0.000 0.230 224 P C 0.937 178.252 177.300 0.024 0.000 1.158 224 P CA 1.165 64.251 63.100 -0.023 0.000 0.769 224 P CB 0.402 32.049 31.700 -0.088 0.000 0.807 225 K N -0.311 120.139 120.400 0.084 0.000 2.242 225 K HA 0.229 4.558 4.320 0.015 0.000 0.200 225 K C 1.185 177.861 176.600 0.127 0.000 1.050 225 K CA 0.062 56.397 56.287 0.079 0.000 0.981 225 K CB -0.200 32.327 32.500 0.043 0.000 0.795 225 K HN 0.002 nan 8.250 nan 0.000 0.477 226 A N 2.215 125.125 122.820 0.150 0.000 2.561 226 A HA -0.063 4.266 4.320 0.015 0.000 0.234 226 A C -0.278 177.438 177.584 0.220 0.000 1.055 226 A CA 0.327 52.444 52.037 0.132 0.000 0.756 226 A CB 0.004 19.076 19.000 0.120 0.000 0.986 226 A HN 0.234 nan 8.150 nan 0.000 0.505 227 E N 0.429 120.701 120.200 0.120 0.000 2.349 227 E HA 0.207 4.566 4.350 0.015 0.000 0.265 227 E C 0.346 176.881 176.600 -0.107 0.000 1.064 227 E CA -0.334 56.117 56.400 0.086 0.000 0.886 227 E CB 0.544 30.284 29.700 0.067 0.000 1.036 227 E HN 0.637 nan 8.360 nan 0.000 0.413 228 F N 2.664 122.261 119.950 -0.589 0.000 2.225 228 F HA -0.309 4.227 4.527 0.014 0.000 0.302 228 F C 1.763 177.400 175.800 -0.272 0.000 1.068 228 F CA 1.864 59.423 58.000 -0.736 0.000 1.327 228 F CB 0.053 38.620 39.000 -0.721 0.000 1.043 228 F HN 0.563 nan 8.300 nan 0.000 0.506 229 A N -0.427 122.366 122.820 -0.045 0.000 1.873 229 A HA -0.161 4.168 4.320 0.015 0.000 0.215 229 A C 2.046 179.574 177.584 -0.093 0.000 1.186 229 A CA 1.663 53.682 52.037 -0.029 0.000 0.616 229 A CB -0.754 18.272 19.000 0.044 0.000 0.823 229 A HN 0.390 nan 8.150 nan 0.000 0.442 230 E N -0.246 119.919 120.200 -0.058 0.000 2.072 230 E HA -0.086 4.273 4.350 0.015 0.000 0.191 230 E C 1.975 178.548 176.600 -0.045 0.000 0.985 230 E CA 1.223 57.618 56.400 -0.008 0.000 0.801 230 E CB -0.379 29.330 29.700 0.016 0.000 0.750 230 E HN 0.245 nan 8.360 nan 0.000 0.452 231 V N 0.132 119.973 119.914 -0.122 0.000 2.332 231 V HA -0.272 3.857 4.120 0.015 0.000 0.248 231 V C 2.294 178.246 176.094 -0.237 0.000 1.055 231 V CA 1.966 64.189 62.300 -0.128 0.000 1.038 231 V CB -0.612 31.114 31.823 -0.162 0.000 0.651 231 V HN 0.224 nan 8.190 nan 0.000 0.450 232 S N -0.804 114.632 115.700 -0.439 0.000 2.356 232 S HA -0.220 4.259 4.470 0.015 0.000 0.223 232 S C 2.113 176.617 174.600 -0.160 0.000 1.032 232 S CA 1.469 59.443 58.200 -0.377 0.000 1.005 232 S CB -0.319 62.630 63.200 -0.419 0.000 0.867 232 S HN 0.433 nan 8.310 nan 0.000 0.449 233 K N 1.426 121.755 120.400 -0.118 0.000 1.987 233 K HA -0.093 4.236 4.320 0.015 0.000 0.216 233 K C 2.063 178.627 176.600 -0.061 0.000 1.051 233 K CA 1.534 57.773 56.287 -0.080 0.000 0.942 233 K CB -0.895 31.573 32.500 -0.053 0.000 0.722 233 K HN 0.349 nan 8.250 nan 0.000 0.444 234 L N 0.555 121.775 121.223 -0.004 0.000 2.012 234 L HA -0.202 4.147 4.340 0.015 0.000 0.210 234 L C 2.600 179.499 176.870 0.049 0.000 1.073 234 L CA 0.991 55.862 54.840 0.053 0.000 0.748 234 L CB -0.613 41.528 42.059 0.137 0.000 0.891 234 L HN -0.033 nan 8.230 nan 0.000 0.431 235 V N -0.281 119.642 119.914 0.015 0.000 2.469 235 V HA -0.296 3.833 4.120 0.015 0.000 0.251 235 V C 2.512 178.647 176.094 0.069 0.000 1.064 235 V CA 2.365 64.681 62.300 0.027 0.000 1.066 235 V CB -0.553 31.249 31.823 -0.035 0.000 0.667 235 V HN 0.539 nan 8.190 nan 0.000 0.461 236 T N -0.946 113.626 114.554 0.030 0.000 2.809 236 T HA -0.128 4.231 4.350 0.015 0.000 0.260 236 T C 1.621 176.349 174.700 0.046 0.000 1.039 236 T CA 1.403 63.527 62.100 0.039 0.000 1.141 236 T CB -0.310 68.558 68.868 -0.000 0.000 0.869 236 T HN 0.428 nan 8.240 nan 0.000 0.437 237 D N 1.146 121.555 120.400 0.015 0.000 2.117 237 D HA -0.015 4.634 4.640 0.015 0.000 0.197 237 D C 2.054 178.398 176.300 0.073 0.000 0.987 237 D CA 0.411 54.416 54.000 0.009 0.000 0.829 237 D CB -0.436 40.337 40.800 -0.046 0.000 0.961 237 D HN 0.155 nan 8.370 nan 0.000 0.460 238 L N 0.683 121.982 121.223 0.128 0.000 1.970 238 L HA -0.213 4.136 4.340 0.015 0.000 0.212 238 L C 2.032 179.100 176.870 0.330 0.000 1.071 238 L CA 1.645 56.626 54.840 0.234 0.000 0.751 238 L CB -0.708 41.507 42.059 0.261 0.000 0.889 238 L HN 0.102 nan 8.230 nan 0.000 0.432 239 T N -0.744 114.008 114.554 0.330 0.000 2.803 239 T HA -0.227 4.132 4.350 0.015 0.000 0.269 239 T C 1.977 176.741 174.700 0.107 0.000 1.052 239 T CA 1.677 63.954 62.100 0.295 0.000 1.136 239 T CB -0.249 68.797 68.868 0.296 0.000 0.864 239 T HN 0.258 nan 8.240 nan 0.000 0.467 240 K N 0.886 121.338 120.400 0.086 0.000 2.148 240 K HA -0.022 4.307 4.320 0.015 0.000 0.204 240 K C 2.260 178.870 176.600 0.017 0.000 1.050 240 K CA 0.955 57.261 56.287 0.030 0.000 0.942 240 K CB -0.933 31.577 32.500 0.017 0.000 0.724 240 K HN 0.389 nan 8.250 nan 0.000 0.446 241 V N 0.776 120.714 119.914 0.040 0.000 2.283 241 V HA -0.163 3.966 4.120 0.015 0.000 0.243 241 V C 2.608 178.661 176.094 -0.068 0.000 1.039 241 V CA 2.054 64.341 62.300 -0.022 0.000 1.016 241 V CB -0.817 30.979 31.823 -0.045 0.000 0.650 241 V HN 0.619 nan 8.190 nan 0.000 0.449 242 H N 0.283 119.316 119.070 -0.061 0.000 2.390 242 H HA -0.163 4.403 4.556 0.016 0.000 0.298 242 H C 2.492 177.727 175.328 -0.156 0.000 1.106 242 H CA 2.118 58.089 56.048 -0.128 0.000 1.297 242 H CB -0.320 29.306 29.762 -0.226 0.000 1.375 242 H HN 0.420 nan 8.280 nan 0.000 0.509 243 T N -0.015 114.513 114.554 -0.043 0.000 2.652 243 T HA -0.190 4.169 4.350 0.015 0.000 0.267 243 T C 2.107 176.803 174.700 -0.008 0.000 1.039 243 T CA 1.769 63.835 62.100 -0.056 0.000 1.153 243 T CB -0.281 68.550 68.868 -0.061 0.000 0.863 243 T HN 0.341 nan 8.240 nan 0.000 0.428 244 E N -0.302 119.889 120.200 -0.014 0.000 2.106 244 E HA -0.122 4.237 4.350 0.015 0.000 0.192 244 E C 2.450 179.075 176.600 0.042 0.000 0.984 244 E CA 0.986 57.392 56.400 0.011 0.000 0.806 244 E CB -0.728 28.966 29.700 -0.010 0.000 0.750 244 E HN 0.726 nan 8.360 nan 0.000 0.458 245 c N -0.448 118.138 118.600 -0.024 0.000 2.457 245 c HA -0.012 4.567 4.570 0.015 0.000 0.278 245 c C 2.878 176.962 174.090 -0.010 0.000 1.309 245 c CA 0.613 56.914 56.329 -0.047 0.000 1.735 245 c CB -1.224 41.171 42.510 -0.191 0.000 1.992 245 c HN 0.691 nan 8.230 nan 0.000 0.493 246 c N -0.803 117.794 118.600 -0.006 0.000 2.440 246 c HA -0.137 4.442 4.570 0.015 0.000 0.278 246 c C 2.691 176.795 174.090 0.025 0.000 1.295 246 c CA 0.918 57.247 56.329 0.001 0.000 1.738 246 c CB -1.760 40.742 42.510 -0.013 0.000 1.987 246 c HN 0.683 nan 8.230 nan 0.000 0.492 247 H N 0.455 119.509 119.070 -0.025 0.000 2.518 247 H HA -0.057 4.508 4.556 0.015 0.000 0.292 247 H C 1.882 177.214 175.328 0.007 0.000 1.068 247 H CA 1.491 57.532 56.048 -0.011 0.000 1.275 247 H CB -0.262 29.496 29.762 -0.007 0.000 1.375 247 H HN 0.587 nan 8.280 nan 0.000 0.563 248 G N 0.984 109.803 108.800 0.032 0.000 2.157 248 G HA2 -0.239 3.730 3.960 0.015 0.000 0.248 248 G HA3 -0.239 3.730 3.960 0.015 0.000 0.248 248 G C -0.029 174.922 174.900 0.084 0.000 0.979 248 G CA 0.356 45.461 45.100 0.009 0.000 0.650 248 G HN 0.555 nan 8.290 nan 0.000 0.529 249 D N 0.624 121.132 120.400 0.179 0.000 2.339 249 D HA 0.338 4.987 4.640 0.015 0.000 0.241 249 D C 1.631 178.029 176.300 0.164 0.000 1.183 249 D CA -0.556 53.578 54.000 0.223 0.000 0.859 249 D CB 1.019 41.990 40.800 0.284 0.000 1.067 249 D HN 0.052 nan 8.370 nan 0.000 0.484 250 L N 5.522 126.814 121.223 0.116 0.000 2.012 250 L HA -0.184 4.166 4.340 0.015 0.000 0.210 250 L C 2.015 178.913 176.870 0.046 0.000 1.073 250 L CA 1.741 56.618 54.840 0.062 0.000 0.748 250 L CB -0.449 41.584 42.059 -0.044 0.000 0.891 250 L HN 0.552 nan 8.230 nan 0.000 0.431 251 L N -1.026 120.185 121.223 -0.020 0.000 2.027 251 L HA -0.128 4.221 4.340 0.015 0.000 0.206 251 L C 2.553 179.479 176.870 0.094 0.000 1.074 251 L CA 0.982 55.805 54.840 -0.028 0.000 0.745 251 L CB -0.829 41.086 42.059 -0.240 0.000 0.898 251 L HN 0.249 nan 8.230 nan 0.000 0.433 252 E N -0.387 119.917 120.200 0.172 0.000 2.209 252 E HA -0.250 4.109 4.350 0.015 0.000 0.196 252 E C 2.197 178.849 176.600 0.087 0.000 0.993 252 E CA 1.430 57.912 56.400 0.137 0.000 0.819 252 E CB -0.528 29.248 29.700 0.126 0.000 0.745 252 E HN 0.554 nan 8.360 nan 0.000 0.477 253 c N 0.247 118.903 118.600 0.094 0.000 2.507 253 c HA 0.302 4.881 4.570 0.015 0.000 0.280 253 c C 2.784 176.922 174.090 0.079 0.000 1.345 253 c CA 0.776 57.139 56.329 0.056 0.000 1.736 253 c CB -0.675 41.870 42.510 0.059 0.000 2.060 253 c HN 0.400 nan 8.230 nan 0.000 0.498 254 A N 0.704 123.621 122.820 0.161 0.000 1.873 254 A HA -0.095 4.234 4.320 0.015 0.000 0.215 254 A C 1.895 179.546 177.584 0.113 0.000 1.186 254 A CA 2.118 54.274 52.037 0.198 0.000 0.616 254 A CB -0.747 18.343 19.000 0.150 0.000 0.823 254 A HN 0.590 nan 8.150 nan 0.000 0.442 255 D N 0.260 120.712 120.400 0.087 0.000 2.117 255 D HA -0.119 4.530 4.640 0.015 0.000 0.197 255 D C 1.326 177.662 176.300 0.060 0.000 0.987 255 D CA 1.303 55.349 54.000 0.076 0.000 0.829 255 D CB -0.412 40.436 40.800 0.080 0.000 0.961 255 D HN 0.336 nan 8.370 nan 0.000 0.460 256 D N 0.250 120.677 120.400 0.045 0.000 2.149 256 D HA -0.101 4.548 4.640 0.015 0.000 0.198 256 D C 2.144 178.453 176.300 0.015 0.000 0.990 256 D CA 0.700 54.713 54.000 0.023 0.000 0.839 256 D CB -0.018 40.784 40.800 0.003 0.000 0.948 256 D HN 0.207 nan 8.370 nan 0.000 0.460 257 R N 0.303 120.807 120.500 0.007 0.000 2.093 257 R HA 0.110 4.459 4.340 0.015 0.000 0.224 257 R C 2.284 178.609 176.300 0.042 0.000 1.101 257 R CA 0.922 57.020 56.100 -0.002 0.000 0.979 257 R CB -0.122 30.149 30.300 -0.048 0.000 0.877 257 R HN 0.058 nan 8.270 nan 0.000 0.441 258 A N 1.603 124.460 122.820 0.062 0.000 1.877 258 A HA -0.211 4.118 4.320 0.015 0.000 0.216 258 A C 1.533 179.158 177.584 0.069 0.000 1.186 258 A CA 1.796 53.874 52.037 0.069 0.000 0.620 258 A CB -0.465 18.578 19.000 0.072 0.000 0.822 258 A HN 0.150 nan 8.150 nan 0.000 0.443 259 D N -0.382 120.059 120.400 0.068 0.000 2.103 259 D HA -0.169 4.480 4.640 0.015 0.000 0.190 259 D C 1.838 178.196 176.300 0.097 0.000 0.997 259 D CA 1.667 55.713 54.000 0.075 0.000 0.833 259 D CB -0.579 40.256 40.800 0.057 0.000 0.961 259 D HN 0.322 nan 8.370 nan 0.000 0.447 260 L N 0.593 121.867 121.223 0.084 0.000 2.191 260 L HA -0.059 4.290 4.340 0.015 0.000 0.212 260 L C 1.973 178.926 176.870 0.138 0.000 1.103 260 L CA 1.495 56.406 54.840 0.119 0.000 0.769 260 L CB -0.570 41.538 42.059 0.082 0.000 0.908 260 L HN -0.028 nan 8.230 nan 0.000 0.438 261 A N -0.165 122.710 122.820 0.092 0.000 1.929 261 A HA -0.184 4.145 4.320 0.015 0.000 0.216 261 A C 2.376 179.994 177.584 0.057 0.000 1.176 261 A CA 1.492 53.570 52.037 0.068 0.000 0.628 261 A CB -0.506 18.527 19.000 0.056 0.000 0.816 261 A HN 0.592 nan 8.150 nan 0.000 0.444 262 K N -1.609 118.836 120.400 0.074 0.000 2.057 262 K HA -0.199 4.130 4.320 0.015 0.000 0.206 262 K C 1.990 178.621 176.600 0.052 0.000 1.050 262 K CA 1.685 58.007 56.287 0.058 0.000 0.935 262 K CB -0.567 31.978 32.500 0.074 0.000 0.715 262 K HN 0.392 nan 8.250 nan 0.000 0.439 263 Y N 1.770 122.070 120.300 -0.001 0.000 2.181 263 Y HA -0.130 4.428 4.550 0.015 0.000 0.288 263 Y C 1.819 177.700 175.900 -0.032 0.000 1.146 263 Y CA 1.549 59.642 58.100 -0.012 0.000 1.164 263 Y CB -0.041 38.415 38.460 -0.007 0.000 0.982 263 Y HN 0.025 nan 8.280 nan 0.000 0.515 264 I N -1.163 119.340 120.570 -0.113 0.000 2.394 264 I HA -0.320 3.860 4.170 0.015 0.000 0.251 264 I C 2.231 178.211 176.117 -0.229 0.000 1.136 264 I CA 1.043 62.216 61.300 -0.212 0.000 1.425 264 I CB -0.615 37.351 38.000 -0.056 0.000 1.079 264 I HN 0.381 nan 8.210 nan 0.000 0.425 265 c N 0.516 119.031 118.600 -0.142 0.000 2.475 265 c HA -0.054 4.525 4.570 0.015 0.000 0.279 265 c C 2.631 176.641 174.090 -0.133 0.000 1.322 265 c CA 0.404 56.666 56.329 -0.111 0.000 1.734 265 c CB -0.690 41.790 42.510 -0.051 0.000 2.005 265 c HN 0.468 nan 8.230 nan 0.000 0.495 266 E N 0.717 120.827 120.200 -0.151 0.000 2.072 266 E HA -0.124 4.236 4.350 0.015 0.000 0.191 266 E C 1.282 177.764 176.600 -0.197 0.000 0.985 266 E CA 0.783 57.100 56.400 -0.140 0.000 0.801 266 E CB -0.211 29.424 29.700 -0.108 0.000 0.750 266 E HN 0.632 nan 8.360 nan 0.000 0.452 267 N N 1.249 119.745 118.700 -0.341 0.000 2.362 267 N HA -0.058 4.691 4.740 0.015 0.000 0.204 267 N C 1.379 176.720 175.510 -0.282 0.000 1.166 267 N CA -0.117 52.723 53.050 -0.350 0.000 0.831 267 N CB 0.298 38.426 38.487 -0.598 0.000 1.008 267 N HN 0.255 nan 8.380 nan 0.000 0.472 268 Q N 1.465 121.127 119.800 -0.230 0.000 2.028 268 Q HA -0.240 4.109 4.340 0.015 0.000 0.213 268 Q C 0.480 176.377 176.000 -0.171 0.000 1.017 268 Q CA 1.953 57.638 55.803 -0.196 0.000 0.875 268 Q CB 0.011 28.668 28.738 -0.135 0.000 0.962 268 Q HN 0.208 nan 8.270 nan 0.000 0.413 269 D N -0.472 119.854 120.400 -0.124 0.000 2.357 269 D HA -0.094 4.555 4.640 0.015 0.000 0.216 269 D C 1.347 177.590 176.300 -0.094 0.000 0.973 269 D CA 0.956 54.901 54.000 -0.092 0.000 0.912 269 D CB -0.140 40.620 40.800 -0.068 0.000 0.900 269 D HN 0.117 nan 8.370 nan 0.000 0.501 270 S N -1.447 114.177 115.700 -0.127 0.000 2.540 270 S HA 0.226 4.705 4.470 0.015 0.000 0.218 270 S C 1.343 175.861 174.600 -0.136 0.000 0.977 270 S CA -0.259 57.877 58.200 -0.108 0.000 0.918 270 S CB 0.254 63.391 63.200 -0.106 0.000 0.806 270 S HN 0.128 nan 8.310 nan 0.000 0.496 271 I N -1.122 119.319 120.570 -0.214 0.000 3.623 271 I HA 0.348 4.527 4.170 0.015 0.000 0.253 271 I C 0.519 176.454 176.117 -0.305 0.000 1.144 271 I CA -0.120 60.968 61.300 -0.352 0.000 1.461 271 I CB 0.510 38.123 38.000 -0.645 0.000 1.575 271 I HN 0.137 nan 8.210 nan 0.000 0.445 272 S N -0.556 114.978 115.700 -0.277 0.000 2.556 272 S HA 0.331 4.810 4.470 0.015 0.000 0.271 272 S C 0.418 174.986 174.600 -0.053 0.000 1.135 272 S CA -0.058 58.094 58.200 -0.080 0.000 0.858 272 S CB 1.636 64.865 63.200 0.049 0.000 1.114 272 S HN 0.277 nan 8.310 nan 0.000 0.468 273 S N 1.990 117.686 115.700 -0.006 0.000 2.524 273 S HA 0.197 4.676 4.470 0.015 0.000 0.216 273 S C 0.589 175.189 174.600 -0.001 0.000 0.987 273 S CA -0.026 58.168 58.200 -0.011 0.000 0.909 273 S CB -0.180 63.017 63.200 -0.006 0.000 0.781 273 S HN 0.639 nan 8.310 nan 0.000 0.521 274 K N 1.362 121.774 120.400 0.020 0.000 2.500 274 K HA 0.336 4.665 4.320 0.015 0.000 0.206 274 K C 0.203 176.820 176.600 0.028 0.000 1.034 274 K CA -0.015 56.287 56.287 0.025 0.000 1.179 274 K CB -0.004 32.518 32.500 0.036 0.000 0.884 274 K HN 0.451 nan 8.250 nan 0.000 0.493 275 L N 0.041 121.269 121.223 0.008 0.000 2.700 275 L HA 0.094 4.443 4.340 0.015 0.000 0.234 275 L C 2.208 179.072 176.870 -0.010 0.000 1.156 275 L CA -0.117 54.723 54.840 0.000 0.000 0.946 275 L CB -0.538 41.497 42.059 -0.039 0.000 1.216 275 L HN 0.055 nan 8.230 nan 0.000 0.493 276 K N 1.235 121.631 120.400 -0.007 0.000 1.972 276 K HA -0.239 4.090 4.320 0.015 0.000 0.227 276 K C 2.239 178.839 176.600 0.000 0.000 1.046 276 K CA 2.423 58.706 56.287 -0.007 0.000 1.013 276 K CB -1.476 31.021 32.500 -0.004 0.000 0.741 276 K HN 0.366 nan 8.250 nan 0.000 0.446 277 E N 0.094 120.298 120.200 0.008 0.000 2.113 277 E HA -0.290 4.069 4.350 0.015 0.000 0.210 277 E C 2.402 179.014 176.600 0.019 0.000 1.040 277 E CA 2.241 58.650 56.400 0.016 0.000 0.847 277 E CB -1.796 27.917 29.700 0.021 0.000 0.755 277 E HN 0.730 nan 8.360 nan 0.000 0.459 278 c N -0.434 118.178 118.600 0.020 0.000 2.403 278 c HA -0.158 4.421 4.570 0.015 0.000 0.277 278 c C 2.832 176.934 174.090 0.019 0.000 1.248 278 c CA 0.966 57.309 56.329 0.023 0.000 1.762 278 c CB -1.233 41.289 42.510 0.020 0.000 2.014 278 c HN 0.826 nan 8.230 nan 0.000 0.486 279 c N 0.183 118.788 118.600 0.007 0.000 2.562 279 c HA 0.151 4.730 4.570 0.015 0.000 0.266 279 c C 2.593 176.686 174.090 0.006 0.000 1.382 279 c CA 1.136 57.466 56.329 0.001 0.000 1.742 279 c CB -1.713 40.786 42.510 -0.018 0.000 1.812 279 c HN 0.805 nan 8.230 nan 0.000 0.559 280 E N 0.662 120.869 120.200 0.012 0.000 2.472 280 E HA 0.098 4.457 4.350 0.015 0.000 0.196 280 E C 0.712 177.325 176.600 0.022 0.000 1.033 280 E CA 0.142 56.550 56.400 0.014 0.000 0.886 280 E CB 0.005 29.713 29.700 0.013 0.000 0.944 280 E HN 0.667 nan 8.360 nan 0.000 0.492 281 K N 1.055 121.471 120.400 0.028 0.000 2.102 281 K HA 0.350 4.680 4.320 0.015 0.000 0.244 281 K C -2.304 174.317 176.600 0.035 0.000 1.021 281 K CA -1.724 54.585 56.287 0.037 0.000 0.913 281 K CB 0.938 33.468 32.500 0.050 0.000 1.062 281 K HN 0.160 nan 8.250 nan 0.000 0.485 282 P HA 0.000 nan 4.420 nan 0.000 0.276 282 P C 0.710 178.032 177.300 0.037 0.000 1.252 282 P CA -0.388 62.731 63.100 0.032 0.000 0.802 282 P CB 0.541 32.258 31.700 0.027 0.000 1.035 283 L N 2.506 123.746 121.223 0.029 0.000 2.058 283 L HA -0.223 4.126 4.340 0.015 0.000 0.226 283 L C 1.877 178.774 176.870 0.045 0.000 1.089 283 L CA 2.133 56.992 54.840 0.032 0.000 0.799 283 L CB -1.362 40.705 42.059 0.013 0.000 0.900 283 L HN 0.413 nan 8.230 nan 0.000 0.442 284 L N -1.490 119.757 121.223 0.041 0.000 2.650 284 L HA 0.024 4.373 4.340 0.015 0.000 0.235 284 L C 1.491 178.404 176.870 0.072 0.000 1.149 284 L CA 1.098 55.969 54.840 0.052 0.000 0.887 284 L CB -0.364 41.715 42.059 0.033 0.000 1.021 284 L HN 0.463 nan 8.230 nan 0.000 0.441 285 E N -1.762 118.484 120.200 0.077 0.000 2.535 285 E HA 0.007 4.366 4.350 0.015 0.000 0.216 285 E C 1.518 178.174 176.600 0.094 0.000 0.845 285 E CA -0.167 56.290 56.400 0.094 0.000 1.306 285 E CB 0.305 30.064 29.700 0.099 0.000 1.291 285 E HN 0.311 nan 8.360 nan 0.000 0.635 286 K N 1.034 121.478 120.400 0.073 0.000 2.034 286 K HA -0.186 4.143 4.320 0.015 0.000 0.214 286 K C 2.121 178.755 176.600 0.057 0.000 1.051 286 K CA 2.086 58.408 56.287 0.058 0.000 0.931 286 K CB -0.092 32.436 32.500 0.048 0.000 0.715 286 K HN -0.017 nan 8.250 nan 0.000 0.446 287 S N 0.159 115.900 115.700 0.068 0.000 2.351 287 S HA -0.245 4.234 4.470 0.015 0.000 0.220 287 S C 1.911 176.530 174.600 0.033 0.000 1.035 287 S CA 1.827 60.058 58.200 0.052 0.000 1.031 287 S CB -0.761 62.474 63.200 0.058 0.000 0.928 287 S HN 0.455 nan 8.310 nan 0.000 0.433 288 H N 0.445 119.490 119.070 -0.042 0.000 2.390 288 H HA -0.125 4.440 4.556 0.015 0.000 0.298 288 H C 2.409 177.663 175.328 -0.123 0.000 1.106 288 H CA 1.689 57.664 56.048 -0.121 0.000 1.297 288 H CB -0.749 28.882 29.762 -0.218 0.000 1.375 288 H HN 0.462 nan 8.280 nan 0.000 0.509 289 c N -0.030 118.555 118.600 -0.024 0.000 2.442 289 c HA -0.124 4.455 4.570 0.015 0.000 0.279 289 c C 2.786 176.834 174.090 -0.070 0.000 1.237 289 c CA 1.250 57.555 56.329 -0.040 0.000 1.722 289 c CB -1.291 41.239 42.510 0.033 0.000 2.056 289 c HN 0.705 nan 8.230 nan 0.000 0.469 290 I N 1.624 122.181 120.570 -0.022 0.000 2.264 290 I HA -0.190 3.989 4.170 0.015 0.000 0.248 290 I C 2.828 178.938 176.117 -0.012 0.000 1.111 290 I CA 1.719 63.028 61.300 0.015 0.000 1.382 290 I CB -0.817 37.216 38.000 0.054 0.000 1.060 290 I HN 0.443 nan 8.210 nan 0.000 0.418 291 A N 0.189 122.964 122.820 -0.075 0.000 1.972 291 A HA -0.178 4.151 4.320 0.015 0.000 0.219 291 A C 2.174 179.665 177.584 -0.155 0.000 1.169 291 A CA 1.836 53.811 52.037 -0.104 0.000 0.635 291 A CB -0.483 18.434 19.000 -0.139 0.000 0.810 291 A HN 0.340 nan 8.150 nan 0.000 0.446 292 E N -1.082 118.983 120.200 -0.225 0.000 2.444 292 E HA 0.298 4.657 4.350 0.015 0.000 0.191 292 E C 0.333 176.866 176.600 -0.112 0.000 1.041 292 E CA 0.176 56.454 56.400 -0.203 0.000 0.883 292 E CB -0.173 29.341 29.700 -0.310 0.000 1.024 292 E HN 0.400 nan 8.360 nan 0.000 0.470 293 V N 0.747 120.616 119.914 -0.075 0.000 3.319 293 V HA 0.222 4.351 4.120 0.015 0.000 0.303 293 V C 0.507 176.578 176.094 -0.039 0.000 1.094 293 V CA 0.013 62.297 62.300 -0.027 0.000 1.106 293 V CB 1.706 33.550 31.823 0.035 0.000 1.099 293 V HN 0.413 nan 8.190 nan 0.000 0.476 294 E N 2.318 122.509 120.200 -0.015 0.000 2.280 294 E HA 0.294 4.653 4.350 0.015 0.000 0.264 294 E C -0.334 176.249 176.600 -0.028 0.000 1.064 294 E CA -0.771 55.613 56.400 -0.027 0.000 0.900 294 E CB 0.732 30.426 29.700 -0.010 0.000 1.123 294 E HN 0.818 nan 8.360 nan 0.000 0.418 295 N N 1.549 120.216 118.700 -0.055 0.000 2.340 295 N HA 0.028 4.777 4.740 0.015 0.000 0.236 295 N C -0.735 174.769 175.510 -0.010 0.000 1.296 295 N CA 0.112 53.124 53.050 -0.063 0.000 0.896 295 N CB 0.376 38.813 38.487 -0.084 0.000 1.127 295 N HN 0.421 nan 8.380 nan 0.000 0.442 296 D N -0.366 120.041 120.400 0.011 0.000 2.326 296 D HA 0.143 4.792 4.640 0.015 0.000 0.251 296 D C -0.693 175.602 176.300 -0.009 0.000 1.023 296 D CA -0.484 53.531 54.000 0.025 0.000 0.966 296 D CB 0.965 41.807 40.800 0.069 0.000 1.156 296 D HN 0.317 nan 8.370 nan 0.000 0.494 297 E N 1.104 121.296 120.200 -0.012 0.000 2.376 297 E HA 0.125 4.484 4.350 0.015 0.000 0.266 297 E C 0.105 176.683 176.600 -0.036 0.000 1.009 297 E CA -0.312 56.071 56.400 -0.029 0.000 0.902 297 E CB 0.533 30.219 29.700 -0.024 0.000 0.972 297 E HN 0.405 nan 8.360 nan 0.000 0.439 298 M N 3.505 123.069 119.600 -0.060 0.000 2.233 298 M HA 0.268 4.757 4.480 0.015 0.000 0.350 298 M C -1.964 174.298 176.300 -0.064 0.000 1.176 298 M CA -1.459 53.795 55.300 -0.075 0.000 1.150 298 M CB 0.690 33.217 32.600 -0.122 0.000 1.530 298 M HN 0.199 nan 8.290 nan 0.000 0.459 299 P HA -0.291 nan 4.420 nan 0.000 0.222 299 P C 0.948 178.220 177.300 -0.047 0.000 1.154 299 P CA 3.129 66.205 63.100 -0.040 0.000 0.874 299 P CB -0.187 31.494 31.700 -0.032 0.000 0.787 300 A N -3.075 119.704 122.820 -0.068 0.000 3.100 300 A HA -0.338 3.991 4.320 0.015 0.000 0.268 300 A C 1.298 178.851 177.584 -0.052 0.000 1.227 300 A CA 2.230 54.226 52.037 -0.068 0.000 0.967 300 A CB -2.593 16.372 19.000 -0.058 0.000 1.066 300 A HN 0.455 nan 8.150 nan 0.000 0.787 301 D N -0.511 119.863 120.400 -0.043 0.000 2.402 301 D HA 0.558 5.207 4.640 0.015 0.000 0.216 301 D C 0.387 176.668 176.300 -0.031 0.000 1.128 301 D CA 0.302 54.284 54.000 -0.029 0.000 0.833 301 D CB -0.099 40.690 40.800 -0.018 0.000 0.971 301 D HN 0.632 nan 8.370 nan 0.000 0.503 302 L N 1.217 122.410 121.223 -0.050 0.000 2.477 302 L HA 0.188 4.537 4.340 0.015 0.000 0.272 302 L C -0.670 176.172 176.870 -0.047 0.000 1.157 302 L CA -0.921 53.885 54.840 -0.057 0.000 0.889 302 L CB 0.831 42.828 42.059 -0.104 0.000 1.158 302 L HN 0.222 nan 8.230 nan 0.000 0.473 303 P HA -0.066 nan 4.420 nan 0.000 0.200 303 P C 0.229 177.523 177.300 -0.011 0.000 1.007 303 P CA 0.415 63.511 63.100 -0.007 0.000 0.916 303 P CB 0.275 31.984 31.700 0.015 0.000 0.696 304 S N -4.088 111.618 115.700 0.009 0.000 2.688 304 S HA 0.264 4.743 4.470 0.015 0.000 0.266 304 S C -0.214 174.444 174.600 0.097 0.000 1.061 304 S CA -0.680 57.533 58.200 0.021 0.000 0.844 304 S CB -0.385 62.840 63.200 0.041 0.000 1.103 304 S HN -0.013 nan 8.310 nan 0.000 0.471 305 L N 1.383 122.706 121.223 0.166 0.000 2.500 305 L HA 0.389 4.738 4.340 0.015 0.000 0.219 305 L C 2.561 179.703 176.870 0.453 0.000 1.057 305 L CA 0.904 55.965 54.840 0.369 0.000 0.854 305 L CB -0.500 41.732 42.059 0.288 0.000 1.078 305 L HN 0.816 nan 8.230 nan 0.000 0.480 306 A N 0.330 123.342 122.820 0.320 0.000 2.172 306 A HA -0.026 4.303 4.320 0.015 0.000 0.216 306 A C 2.361 179.927 177.584 -0.029 0.000 1.154 306 A CA 1.427 53.380 52.037 -0.139 0.000 0.701 306 A CB -0.342 18.587 19.000 -0.119 0.000 0.789 306 A HN 0.373 nan 8.150 nan 0.000 0.465 307 A N -0.560 122.301 122.820 0.069 0.000 1.898 307 A HA -0.072 4.257 4.320 0.015 0.000 0.214 307 A C 1.790 179.387 177.584 0.023 0.000 1.183 307 A CA 1.623 53.683 52.037 0.040 0.000 0.622 307 A CB -0.197 18.830 19.000 0.045 0.000 0.824 307 A HN 0.381 nan 8.150 nan 0.000 0.444 308 D N -2.205 118.214 120.400 0.033 0.000 2.366 308 D HA 0.162 4.811 4.640 0.015 0.000 0.205 308 D C 0.575 176.649 176.300 -0.378 0.000 1.022 308 D CA 0.595 54.486 54.000 -0.182 0.000 0.868 308 D CB 0.203 40.818 40.800 -0.309 0.000 0.953 308 D HN 0.451 nan 8.370 nan 0.000 0.514 309 F N -0.698 119.328 119.950 0.128 0.000 2.728 309 F HA 0.145 4.681 4.527 0.015 0.000 0.314 309 F C 1.837 177.715 175.800 0.131 0.000 1.094 309 F CA -0.005 58.099 58.000 0.172 0.000 1.217 309 F CB 0.791 39.843 39.000 0.087 0.000 1.056 309 F HN -0.215 nan 8.300 nan 0.000 0.577 310 V N -1.369 118.616 119.914 0.118 0.000 3.219 310 V HA 0.077 4.206 4.120 0.015 0.000 0.240 310 V C 1.519 177.714 176.094 0.170 0.000 1.222 310 V CA 0.713 63.063 62.300 0.084 0.000 1.181 310 V CB 0.546 32.125 31.823 -0.406 0.000 0.941 310 V HN 0.094 nan 8.190 nan 0.000 0.471 311 E N 0.422 120.663 120.200 0.068 0.000 2.402 311 E HA 0.071 4.430 4.350 0.015 0.000 0.261 311 E C 0.887 177.543 176.600 0.093 0.000 0.823 311 E CA 0.698 57.121 56.400 0.038 0.000 1.205 311 E CB -0.206 29.491 29.700 -0.005 0.000 1.431 311 E HN 0.302 nan 8.360 nan 0.000 0.518 312 S N 1.407 117.137 115.700 0.050 0.000 4.212 312 S HA -0.170 4.309 4.470 0.015 0.000 0.377 312 S C -0.070 174.577 174.600 0.078 0.000 0.564 312 S CA 0.509 58.733 58.200 0.041 0.000 1.469 312 S CB -1.217 61.989 63.200 0.010 0.000 1.665 312 S HN 0.342 nan 8.310 nan 0.000 0.397 313 K N 3.386 123.827 120.400 0.068 0.000 2.397 313 K HA 0.241 4.570 4.320 0.015 0.000 0.265 313 K C 0.717 177.343 176.600 0.043 0.000 0.982 313 K CA 0.422 56.761 56.287 0.087 0.000 0.931 313 K CB -0.166 32.361 32.500 0.046 0.000 0.943 313 K HN 0.849 nan 8.250 nan 0.000 0.501 314 D N -0.842 119.573 120.400 0.026 0.000 3.129 314 D HA -0.147 4.502 4.640 0.015 0.000 0.212 314 D C 0.537 176.793 176.300 -0.074 0.000 1.080 314 D CA 0.967 54.951 54.000 -0.026 0.000 0.914 314 D CB -1.689 39.097 40.800 -0.024 0.000 1.083 314 D HN 0.457 nan 8.370 nan 0.000 0.439 315 V N -0.798 119.074 119.914 -0.070 0.000 2.672 315 V HA -0.061 4.068 4.120 0.015 0.000 0.242 315 V C 2.218 178.120 176.094 -0.320 0.000 1.059 315 V CA 1.747 63.950 62.300 -0.163 0.000 1.081 315 V CB 0.368 32.151 31.823 -0.067 0.000 0.752 315 V HN 0.516 nan 8.190 nan 0.000 0.472 316 c N 0.930 119.420 118.600 -0.183 0.000 2.432 316 c HA 0.037 4.616 4.570 0.015 0.000 0.280 316 c C 3.063 177.080 174.090 -0.121 0.000 1.353 316 c CA 1.383 57.648 56.329 -0.107 0.000 1.766 316 c CB -1.121 41.369 42.510 -0.034 0.000 1.924 316 c HN 0.719 nan 8.230 nan 0.000 0.509 317 K N 1.052 121.371 120.400 -0.134 0.000 2.001 317 K HA -0.146 4.183 4.320 0.015 0.000 0.208 317 K C 1.508 177.992 176.600 -0.193 0.000 1.048 317 K CA 2.026 58.236 56.287 -0.127 0.000 0.932 317 K CB -1.210 31.238 32.500 -0.088 0.000 0.715 317 K HN 0.698 nan 8.250 nan 0.000 0.437 318 N N -1.137 117.393 118.700 -0.283 0.000 2.381 318 N HA -0.041 4.708 4.740 0.015 0.000 0.182 318 N C 1.651 176.824 175.510 -0.562 0.000 1.025 318 N CA 1.042 53.873 53.050 -0.364 0.000 0.888 318 N CB -0.106 38.167 38.487 -0.355 0.000 0.965 318 N HN 0.581 nan 8.380 nan 0.000 0.438 319 Y N 0.910 120.697 120.300 -0.855 0.000 2.269 319 Y HA 0.216 4.776 4.550 0.017 0.000 0.294 319 Y C 2.091 177.825 175.900 -0.277 0.000 1.120 319 Y CA 0.849 58.521 58.100 -0.714 0.000 1.159 319 Y CB -0.509 37.569 38.460 -0.638 0.000 1.024 319 Y HN -0.005 nan 8.280 nan 0.000 0.532 320 A N 0.236 122.811 122.820 -0.408 0.000 2.014 320 A HA -0.130 4.199 4.320 0.015 0.000 0.218 320 A C 2.133 179.562 177.584 -0.259 0.000 1.163 320 A CA 1.440 53.237 52.037 -0.401 0.000 0.652 320 A CB -0.814 18.043 19.000 -0.239 0.000 0.808 320 A HN 0.644 nan 8.150 nan 0.000 0.449 321 E N -0.154 119.929 120.200 -0.196 0.000 2.110 321 E HA 0.077 4.436 4.350 0.015 0.000 0.193 321 E C 0.478 177.027 176.600 -0.085 0.000 0.988 321 E CA 1.213 57.542 56.400 -0.118 0.000 0.804 321 E CB -0.102 29.541 29.700 -0.094 0.000 0.745 321 E HN 0.482 nan 8.360 nan 0.000 0.458 322 A N 0.188 122.958 122.820 -0.083 0.000 2.893 322 A HA 0.225 4.554 4.320 0.015 0.000 0.298 322 A C 0.159 177.770 177.584 0.046 0.000 1.227 322 A CA -0.596 51.438 52.037 -0.005 0.000 0.845 322 A CB 0.447 19.481 19.000 0.057 0.000 1.430 322 A HN 0.089 nan 8.150 nan 0.000 0.493 323 K N 0.193 120.551 120.400 -0.071 0.000 2.089 323 K HA -0.220 4.110 4.320 0.015 0.000 0.210 323 K C 0.786 177.563 176.600 0.294 0.000 1.048 323 K CA 2.161 58.434 56.287 -0.024 0.000 0.926 323 K CB 0.088 32.463 32.500 -0.209 0.000 0.714 323 K HN 0.659 nan 8.250 nan 0.000 0.448 324 D N -0.027 120.502 120.400 0.215 0.000 2.149 324 D HA -0.070 4.579 4.640 0.015 0.000 0.206 324 D C 2.041 178.521 176.300 0.300 0.000 0.967 324 D CA 0.775 54.924 54.000 0.250 0.000 0.848 324 D CB -0.225 40.684 40.800 0.182 0.000 0.998 324 D HN -0.075 nan 8.370 nan 0.000 0.474 325 V N 1.316 121.399 119.914 0.282 0.000 2.392 325 V HA -0.240 3.889 4.120 0.015 0.000 0.249 325 V C 2.205 178.466 176.094 0.278 0.000 1.059 325 V CA 1.200 63.686 62.300 0.310 0.000 1.051 325 V CB -0.621 31.349 31.823 0.243 0.000 0.658 325 V HN 0.050 nan 8.190 nan 0.000 0.455 326 F N 0.445 120.510 119.950 0.193 0.000 2.084 326 F HA -0.120 4.415 4.527 0.014 0.000 0.296 326 F C 2.060 178.085 175.800 0.375 0.000 1.111 326 F CA 1.555 59.714 58.000 0.264 0.000 1.224 326 F CB -0.345 38.855 39.000 0.334 0.000 0.991 326 F HN 0.010 nan 8.300 nan 0.000 0.471 327 L N -0.353 121.114 121.223 0.408 0.000 2.083 327 L HA -0.137 4.212 4.340 0.015 0.000 0.209 327 L C 2.723 179.770 176.870 0.294 0.000 1.083 327 L CA 1.368 56.399 54.840 0.319 0.000 0.752 327 L CB -1.356 40.898 42.059 0.325 0.000 0.899 327 L HN 0.321 nan 8.230 nan 0.000 0.433 328 G N -0.901 108.089 108.800 0.316 0.000 2.432 328 G HA2 -0.273 3.696 3.960 0.015 0.000 0.219 328 G HA3 -0.273 3.696 3.960 0.015 0.000 0.219 328 G C 1.630 176.813 174.900 0.472 0.000 1.135 328 G CA 0.494 45.831 45.100 0.394 0.000 0.767 328 G HN 0.204 nan 8.290 nan 0.000 0.550 329 M N -0.846 118.871 119.600 0.196 0.000 2.229 329 M HA 0.136 4.626 4.480 0.015 0.000 0.264 329 M C 2.096 178.474 176.300 0.130 0.000 1.063 329 M CA 0.854 56.164 55.300 0.018 0.000 1.114 329 M CB -0.120 32.395 32.600 -0.142 0.000 1.387 329 M HN 0.265 nan 8.290 nan 0.000 0.420 330 F N 0.635 120.445 119.950 -0.234 0.000 2.075 330 F HA -0.204 4.331 4.527 0.013 0.000 0.297 330 F C 1.777 177.438 175.800 -0.232 0.000 1.113 330 F CA 1.629 59.253 58.000 -0.627 0.000 1.218 330 F CB -0.538 38.138 39.000 -0.540 0.000 0.984 330 F HN -0.025 nan 8.300 nan 0.000 0.472 331 L N -0.748 120.449 121.223 -0.043 0.000 1.956 331 L HA -0.317 4.032 4.340 0.015 0.000 0.216 331 L C 2.574 179.409 176.870 -0.058 0.000 1.073 331 L CA 2.331 57.113 54.840 -0.097 0.000 0.762 331 L CB -1.254 40.829 42.059 0.040 0.000 0.889 331 L HN 0.335 nan 8.230 nan 0.000 0.433 332 Y N 0.936 121.242 120.300 0.011 0.000 2.102 332 Y HA -0.336 4.223 4.550 0.015 0.000 0.280 332 Y C 2.588 178.465 175.900 -0.038 0.000 1.178 332 Y CA 2.028 60.158 58.100 0.051 0.000 1.146 332 Y CB -0.225 38.425 38.460 0.316 0.000 0.968 332 Y HN 0.205 nan 8.280 nan 0.000 0.504 333 E N -0.590 119.512 120.200 -0.163 0.000 2.031 333 E HA -0.240 4.119 4.350 0.015 0.000 0.193 333 E C 2.144 178.489 176.600 -0.425 0.000 0.994 333 E CA 1.651 57.844 56.400 -0.345 0.000 0.800 333 E CB -1.078 28.533 29.700 -0.148 0.000 0.752 333 E HN 0.622 nan 8.360 nan 0.000 0.447 334 Y N 1.172 121.108 120.300 -0.607 0.000 2.242 334 Y HA -0.153 4.406 4.550 0.016 0.000 0.291 334 Y C 2.243 177.887 175.900 -0.426 0.000 1.137 334 Y CA 1.028 58.770 58.100 -0.597 0.000 1.181 334 Y CB -0.484 37.430 38.460 -0.910 0.000 0.989 334 Y HN 0.029 nan 8.280 nan 0.000 0.527 335 A N 0.982 123.698 122.820 -0.173 0.000 1.845 335 A HA -0.229 4.100 4.320 0.015 0.000 0.215 335 A C 2.270 179.714 177.584 -0.233 0.000 1.195 335 A CA 2.062 53.995 52.037 -0.174 0.000 0.616 335 A CB -0.835 18.049 19.000 -0.192 0.000 0.832 335 A HN 0.564 nan 8.150 nan 0.000 0.443 336 R N -0.600 119.708 120.500 -0.319 0.000 2.249 336 R HA -0.067 4.282 4.340 0.015 0.000 0.230 336 R C 1.724 177.825 176.300 -0.331 0.000 1.121 336 R CA 1.732 57.636 56.100 -0.326 0.000 0.997 336 R CB -0.345 29.697 30.300 -0.429 0.000 0.867 336 R HN 0.435 nan 8.270 nan 0.000 0.465 337 R N -0.460 119.794 120.500 -0.411 0.000 2.300 337 R HA 0.118 4.467 4.340 0.015 0.000 0.199 337 R C -0.084 175.786 176.300 -0.717 0.000 0.920 337 R CA 0.237 56.011 56.100 -0.544 0.000 1.046 337 R CB 0.426 30.325 30.300 -0.668 0.000 0.984 337 R HN 0.300 nan 8.270 nan 0.000 0.493 338 H N -0.560 118.298 119.070 -0.354 0.000 2.488 338 H HA 0.195 4.762 4.556 0.017 0.000 0.237 338 H C -2.165 172.983 175.328 -0.300 0.000 1.395 338 H CA -2.309 53.473 56.048 -0.443 0.000 1.491 338 H CB 1.490 30.766 29.762 -0.810 0.000 1.567 338 H HN -0.039 nan 8.280 nan 0.000 0.508 339 P HA -0.064 nan 4.420 nan 0.000 0.230 339 P C 0.859 178.122 177.300 -0.061 0.000 1.158 339 P CA 0.841 63.876 63.100 -0.107 0.000 0.769 339 P CB 0.219 31.852 31.700 -0.111 0.000 0.807 340 D N -3.785 116.599 120.400 -0.026 0.000 2.339 340 D HA -0.073 4.576 4.640 0.015 0.000 0.217 340 D C 0.137 176.535 176.300 0.164 0.000 1.050 340 D CA -0.010 54.012 54.000 0.036 0.000 0.856 340 D CB -0.418 40.409 40.800 0.045 0.000 0.922 340 D HN 0.008 nan 8.370 nan 0.000 0.518 341 Y N 1.450 121.691 120.300 -0.098 0.000 2.376 341 Y HA 0.407 4.969 4.550 0.019 0.000 0.325 341 Y C 0.811 176.622 175.900 -0.148 0.000 1.199 341 Y CA -2.653 55.356 58.100 -0.151 0.000 1.206 341 Y CB 1.486 39.828 38.460 -0.197 0.000 1.229 341 Y HN -0.038 nan 8.280 nan 0.000 0.480 342 S N 0.092 115.773 115.700 -0.032 0.000 2.584 342 S HA 0.245 4.724 4.470 0.015 0.000 0.273 342 S C 0.994 175.538 174.600 -0.093 0.000 1.311 342 S CA -0.764 57.394 58.200 -0.071 0.000 1.034 342 S CB 1.228 64.378 63.200 -0.083 0.000 0.939 342 S HN 0.429 nan 8.310 nan 0.000 0.513 343 V N 2.365 122.211 119.914 -0.113 0.000 2.324 343 V HA -0.224 3.905 4.120 0.015 0.000 0.250 343 V C 2.583 178.615 176.094 -0.104 0.000 1.060 343 V CA 2.224 64.421 62.300 -0.171 0.000 1.042 343 V CB -1.238 30.407 31.823 -0.295 0.000 0.650 343 V HN 0.910 nan 8.190 nan 0.000 0.450 344 V N -1.328 118.561 119.914 -0.041 0.000 2.407 344 V HA -0.218 3.911 4.120 0.015 0.000 0.248 344 V C 2.366 178.383 176.094 -0.129 0.000 1.055 344 V CA 2.050 64.318 62.300 -0.053 0.000 1.049 344 V CB -1.023 30.776 31.823 -0.040 0.000 0.662 344 V HN 0.474 nan 8.190 nan 0.000 0.455 345 L N -0.011 121.108 121.223 -0.173 0.000 2.046 345 L HA -0.055 4.294 4.340 0.015 0.000 0.208 345 L C 2.298 178.982 176.870 -0.310 0.000 1.077 345 L CA 1.819 56.495 54.840 -0.273 0.000 0.747 345 L CB -0.654 41.169 42.059 -0.393 0.000 0.896 345 L HN 0.271 nan 8.230 nan 0.000 0.432 346 L N -1.264 119.811 121.223 -0.247 0.000 2.046 346 L HA -0.221 4.128 4.340 0.015 0.000 0.208 346 L C 2.490 179.196 176.870 -0.273 0.000 1.077 346 L CA 1.243 55.907 54.840 -0.294 0.000 0.747 346 L CB -0.481 41.449 42.059 -0.216 0.000 0.896 346 L HN 0.309 nan 8.230 nan 0.000 0.432 347 L N -0.903 120.213 121.223 -0.178 0.000 2.141 347 L HA -0.175 4.174 4.340 0.015 0.000 0.209 347 L C 2.681 179.479 176.870 -0.121 0.000 1.094 347 L CA 0.956 55.729 54.840 -0.113 0.000 0.763 347 L CB -0.475 41.545 42.059 -0.065 0.000 0.908 347 L HN 0.207 nan 8.230 nan 0.000 0.437 348 R N -0.014 120.386 120.500 -0.166 0.000 2.148 348 R HA -0.078 4.271 4.340 0.015 0.000 0.227 348 R C 2.193 178.373 176.300 -0.199 0.000 1.103 348 R CA 0.992 56.997 56.100 -0.158 0.000 0.983 348 R CB -0.024 30.171 30.300 -0.175 0.000 0.874 348 R HN 0.358 nan 8.270 nan 0.000 0.451 349 L N -1.009 120.010 121.223 -0.340 0.000 2.102 349 L HA 0.043 4.392 4.340 0.015 0.000 0.202 349 L C 2.545 179.297 176.870 -0.198 0.000 1.076 349 L CA 0.798 55.305 54.840 -0.554 0.000 0.761 349 L CB -0.480 40.914 42.059 -1.109 0.000 0.921 349 L HN 0.163 nan 8.230 nan 0.000 0.444 350 A N 0.557 123.359 122.820 -0.030 0.000 1.978 350 A HA -0.267 4.062 4.320 0.015 0.000 0.220 350 A C 2.283 179.956 177.584 0.148 0.000 1.170 350 A CA 2.146 54.324 52.037 0.236 0.000 0.636 350 A CB -0.378 18.741 19.000 0.198 0.000 0.810 350 A HN 0.269 nan 8.150 nan 0.000 0.448 351 K N -0.591 119.844 120.400 0.059 0.000 2.025 351 K HA -0.072 4.257 4.320 0.015 0.000 0.207 351 K C 1.979 178.622 176.600 0.073 0.000 1.049 351 K CA 2.182 58.501 56.287 0.053 0.000 0.933 351 K CB -0.874 31.635 32.500 0.015 0.000 0.714 351 K HN 0.320 nan 8.250 nan 0.000 0.438 352 T N 0.158 114.763 114.554 0.085 0.000 2.684 352 T HA -0.184 4.175 4.350 0.015 0.000 0.267 352 T C 1.368 176.202 174.700 0.224 0.000 1.036 352 T CA 1.684 63.876 62.100 0.154 0.000 1.148 352 T CB -0.565 68.430 68.868 0.211 0.000 0.863 352 T HN 0.303 nan 8.240 nan 0.000 0.436 353 Y N 2.004 122.361 120.300 0.095 0.000 2.145 353 Y HA -0.151 4.405 4.550 0.011 0.000 0.286 353 Y C 2.513 178.342 175.900 -0.118 0.000 1.145 353 Y CA 1.818 59.900 58.100 -0.031 0.000 1.148 353 Y CB -0.598 37.651 38.460 -0.353 0.000 0.981 353 Y HN 0.404 nan 8.280 nan 0.000 0.507 354 E N -1.085 119.065 120.200 -0.082 0.000 2.058 354 E HA -0.229 4.130 4.350 0.015 0.000 0.194 354 E C 2.030 178.574 176.600 -0.094 0.000 0.997 354 E CA 2.258 58.579 56.400 -0.130 0.000 0.801 354 E CB -0.516 29.206 29.700 0.036 0.000 0.746 354 E HN 0.399 nan 8.360 nan 0.000 0.450 355 T N -0.147 114.398 114.554 -0.015 0.000 2.720 355 T HA -0.144 4.215 4.350 0.015 0.000 0.268 355 T C 1.869 176.561 174.700 -0.014 0.000 1.037 355 T CA 1.827 63.932 62.100 0.008 0.000 1.144 355 T CB -0.481 68.410 68.868 0.037 0.000 0.864 355 T HN 0.287 nan 8.240 nan 0.000 0.444 356 T N 2.091 116.627 114.554 -0.029 0.000 2.737 356 T HA 0.097 4.456 4.350 0.015 0.000 0.265 356 T C 1.957 176.589 174.700 -0.113 0.000 1.038 356 T CA 0.661 62.746 62.100 -0.026 0.000 1.144 356 T CB -0.363 68.528 68.868 0.037 0.000 0.866 356 T HN 0.219 nan 8.240 nan 0.000 0.434 357 L N 0.983 122.016 121.223 -0.318 0.000 2.079 357 L HA -0.117 4.233 4.340 0.015 0.000 0.210 357 L C 2.719 179.509 176.870 -0.133 0.000 1.081 357 L CA 1.384 55.962 54.840 -0.438 0.000 0.752 357 L CB -0.492 40.969 42.059 -0.996 0.000 0.896 357 L HN 0.311 nan 8.230 nan 0.000 0.433 358 E N 0.184 120.362 120.200 -0.036 0.000 2.274 358 E HA -0.146 4.213 4.350 0.015 0.000 0.194 358 E C 1.836 178.459 176.600 0.038 0.000 0.996 358 E CA 1.209 57.648 56.400 0.065 0.000 0.840 358 E CB 0.068 29.813 29.700 0.075 0.000 0.772 358 E HN 0.468 nan 8.360 nan 0.000 0.491 359 K N -0.167 120.244 120.400 0.020 0.000 2.440 359 K HA 0.220 4.549 4.320 0.015 0.000 0.206 359 K C 1.321 177.945 176.600 0.040 0.000 1.025 359 K CA 0.079 56.384 56.287 0.029 0.000 1.135 359 K CB -0.663 31.854 32.500 0.029 0.000 0.856 359 K HN 0.081 nan 8.250 nan 0.000 0.502 360 c N -2.382 116.246 118.600 0.046 0.000 3.913 360 c HA 0.120 4.699 4.570 0.015 0.000 0.535 360 c C 2.130 176.277 174.090 0.094 0.000 1.470 360 c CA 0.079 56.461 56.329 0.089 0.000 2.358 360 c CB -0.091 42.520 42.510 0.169 0.000 3.527 360 c HN 0.728 nan 8.230 nan 0.000 0.611 361 c N 1.870 120.506 118.600 0.060 0.000 2.539 361 c HA 0.312 4.892 4.570 0.015 0.000 0.271 361 c C 1.833 175.950 174.090 0.045 0.000 1.412 361 c CA 0.932 57.295 56.329 0.057 0.000 1.729 361 c CB -1.853 40.694 42.510 0.061 0.000 1.739 361 c HN 0.670 nan 8.230 nan 0.000 0.570 362 A N -0.063 122.782 122.820 0.042 0.000 2.911 362 A HA 0.757 5.086 4.320 0.015 0.000 0.304 362 A C 0.269 177.869 177.584 0.027 0.000 1.144 362 A CA 0.325 52.379 52.037 0.028 0.000 0.988 362 A CB -0.243 18.772 19.000 0.025 0.000 1.141 362 A HN 0.468 nan 8.150 nan 0.000 0.552 363 A N -1.184 121.656 122.820 0.032 0.000 2.594 363 A HA 0.782 5.111 4.320 0.015 0.000 0.291 363 A C 1.028 178.626 177.584 0.022 0.000 1.105 363 A CA 0.065 52.117 52.037 0.026 0.000 0.694 363 A CB 0.170 19.188 19.000 0.030 0.000 1.291 363 A HN 1.311 nan 8.150 nan 0.000 0.410 364 A N 0.227 123.055 122.820 0.013 0.000 1.848 364 A HA -0.094 4.235 4.320 0.015 0.000 0.217 364 A C 0.899 178.487 177.584 0.008 0.000 1.220 364 A CA 2.482 54.524 52.037 0.008 0.000 0.645 364 A CB -0.553 18.448 19.000 0.002 0.000 0.842 364 A HN 0.793 nan 8.150 nan 0.000 0.451 365 D N -1.088 119.313 120.400 0.002 0.000 2.505 365 D HA 0.404 5.053 4.640 0.015 0.000 0.242 365 D C -1.779 174.518 176.300 -0.006 0.000 1.136 365 D CA -2.150 51.846 54.000 -0.008 0.000 0.954 365 D CB 0.782 41.567 40.800 -0.026 0.000 1.002 365 D HN 0.033 nan 8.370 nan 0.000 0.512 366 P HA -0.206 nan 4.420 nan 0.000 0.213 366 P C 1.579 178.858 177.300 -0.035 0.000 1.170 366 P CA 2.607 65.779 63.100 0.119 0.000 0.902 366 P CB -0.087 31.744 31.700 0.219 0.000 0.789 367 H N -1.092 117.911 119.070 -0.111 0.000 2.414 367 H HA -0.200 4.365 4.556 0.015 0.000 0.290 367 H C 1.745 176.711 175.328 -0.605 0.000 1.125 367 H CA 2.564 58.331 56.048 -0.468 0.000 1.207 367 H CB -1.787 27.865 29.762 -0.183 0.000 1.356 367 H HN 0.417 nan 8.280 nan 0.000 0.494 368 E N -0.935 119.073 120.200 -0.321 0.000 2.444 368 E HA 0.372 4.731 4.350 0.015 0.000 0.191 368 E C 1.905 178.393 176.600 -0.186 0.000 1.041 368 E CA 0.589 56.846 56.400 -0.238 0.000 0.883 368 E CB -0.945 28.676 29.700 -0.132 0.000 1.024 368 E HN 0.890 nan 8.360 nan 0.000 0.470 369 c N -0.606 117.874 118.600 -0.199 0.000 2.609 369 c HA 0.253 4.832 4.570 0.015 0.000 0.305 369 c C 1.781 175.875 174.090 0.007 0.000 1.319 369 c CA 1.106 57.406 56.329 -0.049 0.000 1.793 369 c CB -0.598 41.938 42.510 0.044 0.000 2.260 369 c HN 0.829 nan 8.230 nan 0.000 0.535 370 Y N -0.469 119.818 120.300 -0.021 0.000 2.607 370 Y HA 0.675 5.232 4.550 0.012 0.000 0.266 370 Y C 1.183 177.063 175.900 -0.034 0.000 1.178 370 Y CA 0.218 58.307 58.100 -0.019 0.000 1.226 370 Y CB -0.942 37.506 38.460 -0.022 0.000 1.144 370 Y HN 0.092 nan 8.280 nan 0.000 0.528 371 A N 0.576 123.284 122.820 -0.186 0.000 2.411 371 A HA 0.506 4.835 4.320 0.015 0.000 0.251 371 A C 1.658 179.194 177.584 -0.079 0.000 1.317 371 A CA 0.543 52.483 52.037 -0.162 0.000 0.904 371 A CB -0.758 18.109 19.000 -0.222 0.000 0.993 371 A HN 0.443 nan 8.150 nan 0.000 0.504 372 K N -1.444 118.940 120.400 -0.026 0.000 2.481 372 K HA 0.498 4.827 4.320 0.015 0.000 0.210 372 K C 1.361 177.971 176.600 0.017 0.000 1.161 372 K CA 0.728 57.014 56.287 -0.002 0.000 1.023 372 K CB -0.639 31.865 32.500 0.006 0.000 0.971 372 K HN 0.157 nan 8.250 nan 0.000 0.577 373 V N 0.538 120.466 119.914 0.024 0.000 2.219 373 V HA -0.222 3.907 4.120 0.015 0.000 0.248 373 V C 2.186 178.162 176.094 -0.196 0.000 1.053 373 V CA 2.215 64.513 62.300 -0.004 0.000 1.009 373 V CB -0.670 31.210 31.823 0.095 0.000 0.636 373 V HN 0.594 nan 8.190 nan 0.000 0.445 374 F N 0.550 120.185 119.950 -0.525 0.000 2.225 374 F HA -0.209 4.325 4.527 0.011 0.000 0.302 374 F C 2.273 177.919 175.800 -0.257 0.000 1.068 374 F CA 1.543 59.170 58.000 -0.621 0.000 1.327 374 F CB -0.977 37.879 39.000 -0.241 0.000 1.043 374 F HN 0.297 nan 8.300 nan 0.000 0.506 375 D N -0.384 120.050 120.400 0.057 0.000 2.269 375 D HA -0.107 4.542 4.640 0.015 0.000 0.208 375 D C 1.984 178.334 176.300 0.084 0.000 0.963 375 D CA 0.749 54.793 54.000 0.073 0.000 0.864 375 D CB -0.207 40.627 40.800 0.056 0.000 0.936 375 D HN 0.410 nan 8.370 nan 0.000 0.505 376 E N -0.756 119.492 120.200 0.079 0.000 2.442 376 E HA -0.032 4.327 4.350 0.015 0.000 0.195 376 E C 1.228 178.016 176.600 0.315 0.000 1.030 376 E CA -0.022 56.474 56.400 0.158 0.000 0.869 376 E CB 0.182 29.980 29.700 0.163 0.000 0.857 376 E HN 0.206 nan 8.360 nan 0.000 0.505 377 F N 1.451 121.454 119.950 0.089 0.000 2.234 377 F HA -0.002 4.529 4.527 0.006 0.000 0.296 377 F C 2.208 178.006 175.800 -0.004 0.000 1.089 377 F CA 0.504 58.519 58.000 0.025 0.000 1.343 377 F CB -0.620 38.389 39.000 0.015 0.000 1.040 377 F HN -0.084 nan 8.300 nan 0.000 0.498 378 K N 0.734 121.265 120.400 0.219 0.000 2.015 378 K HA -0.225 4.104 4.320 0.015 0.000 0.220 378 K C -0.519 176.115 176.600 0.058 0.000 1.055 378 K CA 2.430 58.786 56.287 0.116 0.000 0.951 378 K CB -1.436 31.120 32.500 0.095 0.000 0.725 378 K HN 0.134 nan 8.250 nan 0.000 0.449 379 P HA -0.149 nan 4.420 nan 0.000 0.217 379 P C 1.453 178.744 177.300 -0.015 0.000 1.150 379 P CA 1.090 64.202 63.100 0.021 0.000 0.832 379 P CB -0.012 31.707 31.700 0.032 0.000 0.787 380 L N -0.847 120.366 121.223 -0.018 0.000 2.201 380 L HA -0.091 4.258 4.340 0.015 0.000 0.212 380 L C 2.639 179.408 176.870 -0.169 0.000 1.105 380 L CA 1.391 56.180 54.840 -0.085 0.000 0.775 380 L CB -1.246 40.753 42.059 -0.100 0.000 0.913 380 L HN -0.172 nan 8.230 nan 0.000 0.440 381 V N -1.041 118.771 119.914 -0.171 0.000 2.446 381 V HA -0.154 3.975 4.120 0.015 0.000 0.244 381 V C 2.182 178.154 176.094 -0.204 0.000 1.039 381 V CA 1.216 63.344 62.300 -0.286 0.000 1.045 381 V CB -0.343 31.344 31.823 -0.226 0.000 0.681 381 V HN 0.460 nan 8.190 nan 0.000 0.459 382 E N -0.155 119.984 120.200 -0.102 0.000 2.274 382 E HA -0.186 4.173 4.350 0.015 0.000 0.194 382 E C 2.121 178.684 176.600 -0.061 0.000 0.996 382 E CA 0.605 56.966 56.400 -0.065 0.000 0.840 382 E CB -0.056 29.628 29.700 -0.026 0.000 0.772 382 E HN 0.570 nan 8.360 nan 0.000 0.491 383 E N 1.537 121.698 120.200 -0.067 0.000 2.038 383 E HA -0.161 4.198 4.350 0.015 0.000 0.195 383 E C -0.571 175.997 176.600 -0.053 0.000 1.000 383 E CA 1.452 57.823 56.400 -0.049 0.000 0.803 383 E CB -0.671 29.000 29.700 -0.048 0.000 0.750 383 E HN 0.196 nan 8.360 nan 0.000 0.448 384 P HA -0.070 nan 4.420 nan 0.000 0.222 384 P C 1.403 178.661 177.300 -0.070 0.000 1.153 384 P CA 1.100 64.152 63.100 -0.080 0.000 0.798 384 P CB -0.097 31.529 31.700 -0.124 0.000 0.796 385 Q N -0.345 119.404 119.800 -0.086 0.000 2.046 385 Q HA -0.113 4.236 4.340 0.015 0.000 0.200 385 Q C 2.037 178.019 176.000 -0.029 0.000 0.975 385 Q CA 1.271 57.039 55.803 -0.059 0.000 0.836 385 Q CB -0.345 28.356 28.738 -0.061 0.000 0.896 385 Q HN 0.226 nan 8.270 nan 0.000 0.428 386 N N 0.503 119.188 118.700 -0.024 0.000 2.188 386 N HA -0.090 4.659 4.740 0.015 0.000 0.184 386 N C 1.726 177.238 175.510 0.003 0.000 1.018 386 N CA 0.781 53.827 53.050 -0.007 0.000 0.858 386 N CB -0.187 38.297 38.487 -0.005 0.000 0.989 386 N HN 0.186 nan 8.380 nan 0.000 0.426 387 L N 0.451 121.675 121.223 0.001 0.000 2.083 387 L HA -0.136 4.213 4.340 0.015 0.000 0.209 387 L C 1.882 178.766 176.870 0.024 0.000 1.083 387 L CA 0.723 55.575 54.840 0.020 0.000 0.752 387 L CB -0.277 41.795 42.059 0.021 0.000 0.899 387 L HN 0.146 nan 8.230 nan 0.000 0.433 388 I N 0.566 121.139 120.570 0.005 0.000 2.072 388 I HA -0.317 3.862 4.170 0.015 0.000 0.235 388 I C 3.104 179.220 176.117 -0.002 0.000 1.058 388 I CA 1.975 63.274 61.300 -0.002 0.000 1.320 388 I CB -1.509 36.480 38.000 -0.017 0.000 1.047 388 I HN 0.174 nan 8.210 nan 0.000 0.397 389 K N 0.733 121.132 120.400 -0.002 0.000 1.988 389 K HA -0.299 4.030 4.320 0.015 0.000 0.221 389 K C 2.076 178.683 176.600 0.011 0.000 1.053 389 K CA 2.423 58.712 56.287 0.002 0.000 0.959 389 K CB -1.583 30.921 32.500 0.005 0.000 0.728 389 K HN 0.510 nan 8.250 nan 0.000 0.447 390 Q N 0.056 119.868 119.800 0.021 0.000 2.124 390 Q HA -0.263 4.086 4.340 0.015 0.000 0.215 390 Q C 2.242 178.276 176.000 0.056 0.000 1.015 390 Q CA 2.463 58.287 55.803 0.036 0.000 0.890 390 Q CB -0.196 28.564 28.738 0.038 0.000 0.966 390 Q HN 0.744 nan 8.270 nan 0.000 0.412 391 N N -1.020 117.721 118.700 0.068 0.000 2.354 391 N HA -0.076 4.674 4.740 0.015 0.000 0.179 391 N C 1.595 177.103 175.510 -0.004 0.000 1.021 391 N CA 0.958 54.077 53.050 0.115 0.000 0.887 391 N CB 0.007 38.596 38.487 0.170 0.000 0.974 391 N HN 0.331 nan 8.380 nan 0.000 0.437 392 c N 0.674 119.250 118.600 -0.041 0.000 2.468 392 c HA 0.063 4.642 4.570 0.015 0.000 0.277 392 c C 2.538 176.617 174.090 -0.019 0.000 1.400 392 c CA 0.024 56.294 56.329 -0.097 0.000 1.770 392 c CB -0.604 41.851 42.510 -0.092 0.000 1.905 392 c HN 0.473 nan 8.230 nan 0.000 0.519 393 E N 0.389 120.591 120.200 0.003 0.000 2.072 393 E HA -0.167 4.192 4.350 0.015 0.000 0.190 393 E C 1.985 178.598 176.600 0.023 0.000 0.982 393 E CA 0.781 57.192 56.400 0.019 0.000 0.803 393 E CB -0.066 29.647 29.700 0.021 0.000 0.755 393 E HN 0.454 nan 8.360 nan 0.000 0.453 394 L N 0.403 121.646 121.223 0.033 0.000 2.156 394 L HA -0.065 4.284 4.340 0.015 0.000 0.208 394 L C 1.891 178.750 176.870 -0.019 0.000 1.095 394 L CA 1.334 56.212 54.840 0.064 0.000 0.770 394 L CB -0.552 41.618 42.059 0.185 0.000 0.914 394 L HN 0.161 nan 8.230 nan 0.000 0.439 395 F N 0.119 119.805 119.950 -0.440 0.000 2.365 395 F HA -0.117 4.419 4.527 0.015 0.000 0.300 395 F C 2.061 177.692 175.800 -0.281 0.000 1.090 395 F CA 1.427 58.999 58.000 -0.713 0.000 1.408 395 F CB 0.006 38.438 39.000 -0.946 0.000 1.060 395 F HN 0.251 nan 8.300 nan 0.000 0.534 396 E N -0.400 119.775 120.200 -0.040 0.000 2.102 396 E HA -0.141 4.218 4.350 0.015 0.000 0.190 396 E C 2.072 178.619 176.600 -0.089 0.000 0.971 396 E CA 0.631 56.999 56.400 -0.052 0.000 0.821 396 E CB -0.217 29.505 29.700 0.037 0.000 0.777 396 E HN 0.538 nan 8.360 nan 0.000 0.460 397 Q N 0.231 120.001 119.800 -0.049 0.000 2.234 397 Q HA -0.104 4.245 4.340 0.015 0.000 0.206 397 Q C 0.419 176.392 176.000 -0.045 0.000 0.980 397 Q CA 0.888 56.674 55.803 -0.028 0.000 0.869 397 Q CB -0.013 28.727 28.738 0.003 0.000 0.912 397 Q HN 0.181 nan 8.270 nan 0.000 0.436 398 L N -2.610 118.563 121.223 -0.084 0.000 2.327 398 L HA 0.609 4.958 4.340 0.015 0.000 0.258 398 L C 0.429 177.170 176.870 -0.214 0.000 1.024 398 L CA -1.195 53.597 54.840 -0.080 0.000 0.825 398 L CB 1.172 43.233 42.059 0.003 0.000 1.386 398 L HN -0.168 nan 8.230 nan 0.000 0.417 399 G N -0.816 107.894 108.800 -0.150 0.000 2.553 399 G HA2 0.153 4.122 3.960 0.015 0.000 0.278 399 G HA3 0.153 4.122 3.960 0.015 0.000 0.278 399 G C 0.447 175.192 174.900 -0.258 0.000 1.349 399 G CA -0.073 44.888 45.100 -0.232 0.000 1.037 399 G HN 0.861 nan 8.290 nan 0.000 0.508 400 E N -1.307 118.772 120.200 -0.202 0.000 2.038 400 E HA -0.249 4.110 4.350 0.015 0.000 0.195 400 E C 1.942 178.639 176.600 0.162 0.000 1.000 400 E CA 1.369 57.784 56.400 0.026 0.000 0.803 400 E CB -0.275 29.517 29.700 0.154 0.000 0.750 400 E HN 0.549 nan 8.360 nan 0.000 0.448 401 Y N 1.235 121.551 120.300 0.027 0.000 2.128 401 Y HA -0.241 4.319 4.550 0.016 0.000 0.284 401 Y C 2.594 178.509 175.900 0.025 0.000 1.154 401 Y CA 2.257 60.374 58.100 0.029 0.000 1.149 401 Y CB -0.405 38.063 38.460 0.013 0.000 0.976 401 Y HN -0.147 nan 8.280 nan 0.000 0.505 402 K N -0.168 120.222 120.400 -0.017 0.000 2.148 402 K HA -0.128 4.201 4.320 0.015 0.000 0.204 402 K C 1.909 178.460 176.600 -0.082 0.000 1.050 402 K CA 1.186 57.410 56.287 -0.106 0.000 0.942 402 K CB -1.117 31.398 32.500 0.025 0.000 0.724 402 K HN 0.571 nan 8.250 nan 0.000 0.446 403 F N 2.015 121.874 119.950 -0.153 0.000 2.113 403 F HA -0.092 4.443 4.527 0.014 0.000 0.297 403 F C 2.147 177.890 175.800 -0.096 0.000 1.103 403 F CA 1.768 59.710 58.000 -0.097 0.000 1.248 403 F CB -0.432 38.541 39.000 -0.046 0.000 0.999 403 F HN 0.207 nan 8.300 nan 0.000 0.475 404 Q N -0.037 119.617 119.800 -0.244 0.000 2.226 404 Q HA -0.197 4.152 4.340 0.015 0.000 0.204 404 Q C 1.663 177.454 176.000 -0.348 0.000 0.975 404 Q CA 1.425 57.033 55.803 -0.325 0.000 0.866 404 Q CB -0.463 28.186 28.738 -0.148 0.000 0.915 404 Q HN 0.405 nan 8.270 nan 0.000 0.440 405 N N 0.758 119.235 118.700 -0.371 0.000 2.270 405 N HA -0.060 4.689 4.740 0.015 0.000 0.181 405 N C 1.609 176.954 175.510 -0.274 0.000 1.016 405 N CA 1.227 54.079 53.050 -0.330 0.000 0.870 405 N CB -0.288 37.975 38.487 -0.373 0.000 0.979 405 N HN 0.289 nan 8.380 nan 0.000 0.431 406 A N 1.131 123.775 122.820 -0.294 0.000 1.902 406 A HA -0.039 4.290 4.320 0.015 0.000 0.217 406 A C 2.278 179.640 177.584 -0.370 0.000 1.181 406 A CA 0.883 52.757 52.037 -0.272 0.000 0.623 406 A CB -0.652 18.218 19.000 -0.217 0.000 0.818 406 A HN 0.200 nan 8.150 nan 0.000 0.443 407 L N -1.190 119.732 121.223 -0.502 0.000 2.056 407 L HA -0.149 4.200 4.340 0.015 0.000 0.207 407 L C 2.511 179.123 176.870 -0.430 0.000 1.078 407 L CA 0.677 55.156 54.840 -0.602 0.000 0.749 407 L CB -0.684 41.079 42.059 -0.493 0.000 0.901 407 L HN 0.314 nan 8.230 nan 0.000 0.433 408 L N -0.011 121.059 121.223 -0.255 0.000 1.997 408 L HA -0.229 4.120 4.340 0.015 0.000 0.216 408 L C 2.506 179.293 176.870 -0.138 0.000 1.074 408 L CA 1.798 56.553 54.840 -0.141 0.000 0.763 408 L CB -0.730 41.245 42.059 -0.139 0.000 0.890 408 L HN -0.033 nan 8.230 nan 0.000 0.434 409 V N -0.608 119.205 119.914 -0.169 0.000 2.407 409 V HA -0.286 3.843 4.120 0.015 0.000 0.248 409 V C 2.718 178.720 176.094 -0.154 0.000 1.055 409 V CA 1.912 64.132 62.300 -0.134 0.000 1.049 409 V CB -0.675 31.073 31.823 -0.124 0.000 0.662 409 V HN 0.490 nan 8.190 nan 0.000 0.455 410 R N -0.884 119.459 120.500 -0.262 0.000 2.073 410 R HA -0.175 4.174 4.340 0.015 0.000 0.234 410 R C 2.329 178.493 176.300 -0.226 0.000 1.134 410 R CA 1.985 57.894 56.100 -0.319 0.000 0.952 410 R CB -0.326 29.641 30.300 -0.555 0.000 0.850 410 R HN 0.495 nan 8.270 nan 0.000 0.433 411 Y N 0.035 120.285 120.300 -0.084 0.000 2.337 411 Y HA 0.030 4.587 4.550 0.013 0.000 0.293 411 Y C 2.425 178.277 175.900 -0.081 0.000 1.123 411 Y CA 1.122 59.177 58.100 -0.075 0.000 1.201 411 Y CB -0.699 37.708 38.460 -0.088 0.000 1.011 411 Y HN 0.067 nan 8.280 nan 0.000 0.545 412 T N 0.138 114.719 114.554 0.045 0.000 2.803 412 T HA -0.168 4.191 4.350 0.015 0.000 0.269 412 T C 1.793 176.448 174.700 -0.075 0.000 1.052 412 T CA 1.431 63.514 62.100 -0.028 0.000 1.136 412 T CB -0.130 68.710 68.868 -0.046 0.000 0.864 412 T HN 0.324 nan 8.240 nan 0.000 0.467 413 K N 0.470 120.840 120.400 -0.051 0.000 2.217 413 K HA 0.026 4.356 4.320 0.015 0.000 0.202 413 K C 2.321 178.900 176.600 -0.036 0.000 1.051 413 K CA 0.612 56.864 56.287 -0.058 0.000 0.952 413 K CB 0.104 32.581 32.500 -0.039 0.000 0.736 413 K HN 0.189 nan 8.250 nan 0.000 0.453 414 K N 0.619 121.028 120.400 0.016 0.000 1.991 414 K HA -0.037 4.293 4.320 0.015 0.000 0.207 414 K C 1.322 177.923 176.600 0.001 0.000 1.045 414 K CA 1.159 57.471 56.287 0.042 0.000 0.937 414 K CB -0.147 32.429 32.500 0.126 0.000 0.720 414 K HN 0.081 nan 8.250 nan 0.000 0.438 415 V N -0.220 119.688 119.914 -0.011 0.000 2.260 415 V HA 0.251 4.380 4.120 0.015 0.000 0.263 415 V C -2.469 173.563 176.094 -0.102 0.000 1.036 415 V CA -1.666 60.612 62.300 -0.036 0.000 0.874 415 V CB 1.273 33.096 31.823 0.001 0.000 1.116 415 V HN -0.086 nan 8.190 nan 0.000 0.454 416 P HA -0.047 nan 4.420 nan 0.000 0.223 416 P C 1.365 178.509 177.300 -0.261 0.000 1.151 416 P CA 1.058 63.896 63.100 -0.438 0.000 0.787 416 P CB 0.282 31.270 31.700 -1.188 0.000 0.788 417 Q N -0.676 119.054 119.800 -0.118 0.000 2.291 417 Q HA -0.033 4.316 4.340 0.015 0.000 0.206 417 Q C 0.630 176.657 176.000 0.046 0.000 0.976 417 Q CA 0.572 56.402 55.803 0.044 0.000 0.875 417 Q CB -1.018 27.777 28.738 0.094 0.000 0.927 417 Q HN 0.126 nan 8.270 nan 0.000 0.450 418 V N 1.036 120.964 119.914 0.023 0.000 2.740 418 V HA -0.002 4.127 4.120 0.015 0.000 0.303 418 V C 0.594 176.700 176.094 0.020 0.000 1.054 418 V CA -0.369 61.955 62.300 0.040 0.000 1.106 418 V CB 1.340 33.181 31.823 0.030 0.000 0.957 418 V HN 0.167 nan 8.190 nan 0.000 0.486 419 S N 3.309 119.024 115.700 0.026 0.000 2.558 419 S HA -0.043 4.436 4.470 0.015 0.000 0.293 419 S C 1.520 176.122 174.600 0.002 0.000 1.292 419 S CA 0.305 58.514 58.200 0.014 0.000 1.063 419 S CB 0.581 63.788 63.200 0.013 0.000 0.831 419 S HN 0.934 nan 8.310 nan 0.000 0.499 420 T N 6.232 120.783 114.554 -0.004 0.000 2.708 420 T HA -0.041 4.318 4.350 0.015 0.000 0.266 420 T C -0.948 173.744 174.700 -0.014 0.000 1.037 420 T CA 1.374 63.466 62.100 -0.014 0.000 1.146 420 T CB -1.070 67.782 68.868 -0.025 0.000 0.865 420 T HN 0.669 nan 8.240 nan 0.000 0.435 421 P HA 0.032 nan 4.420 nan 0.000 0.230 421 P C 1.090 178.388 177.300 -0.004 0.000 1.158 421 P CA 1.003 64.099 63.100 -0.007 0.000 0.769 421 P CB -0.151 31.546 31.700 -0.005 0.000 0.807 422 T N -0.172 114.380 114.554 -0.003 0.000 2.953 422 T HA 0.123 4.482 4.350 0.015 0.000 0.247 422 T C 1.833 176.524 174.700 -0.014 0.000 1.029 422 T CA 0.439 62.536 62.100 -0.005 0.000 1.144 422 T CB -0.533 68.338 68.868 0.005 0.000 0.870 422 T HN 0.016 nan 8.240 nan 0.000 0.446 423 L N 1.038 122.254 121.223 -0.013 0.000 2.131 423 L HA -0.073 4.276 4.340 0.015 0.000 0.210 423 L C 2.515 179.379 176.870 -0.009 0.000 1.092 423 L CA 0.818 55.651 54.840 -0.012 0.000 0.759 423 L CB -0.549 41.506 42.059 -0.007 0.000 0.903 423 L HN 0.160 nan 8.230 nan 0.000 0.435 424 V N -0.266 119.641 119.914 -0.011 0.000 2.270 424 V HA -0.272 3.857 4.120 0.015 0.000 0.245 424 V C 2.456 178.548 176.094 -0.005 0.000 1.043 424 V CA 1.910 64.204 62.300 -0.010 0.000 1.014 424 V CB -0.388 31.431 31.823 -0.006 0.000 0.645 424 V HN 0.483 nan 8.190 nan 0.000 0.447 425 E N 0.069 120.267 120.200 -0.004 0.000 2.031 425 E HA -0.210 4.149 4.350 0.015 0.000 0.193 425 E C 2.303 178.897 176.600 -0.010 0.000 0.994 425 E CA 1.855 58.255 56.400 -0.001 0.000 0.800 425 E CB -0.115 29.584 29.700 -0.001 0.000 0.752 425 E HN 0.330 nan 8.360 nan 0.000 0.447 426 V N 0.804 120.702 119.914 -0.027 0.000 2.252 426 V HA -0.293 3.836 4.120 0.015 0.000 0.249 426 V C 2.358 178.432 176.094 -0.034 0.000 1.056 426 V CA 2.223 64.490 62.300 -0.055 0.000 1.022 426 V CB -0.471 31.292 31.823 -0.100 0.000 0.641 426 V HN 0.282 nan 8.190 nan 0.000 0.445 427 S N -1.265 114.432 115.700 -0.005 0.000 2.507 427 S HA -0.088 4.391 4.470 0.015 0.000 0.235 427 S C 1.943 176.537 174.600 -0.009 0.000 0.988 427 S CA 0.892 59.106 58.200 0.023 0.000 0.944 427 S CB -0.223 62.991 63.200 0.024 0.000 0.762 427 S HN 0.514 nan 8.310 nan 0.000 0.526 428 R N 1.325 121.825 120.500 -0.000 0.000 2.066 428 R HA 0.131 4.480 4.340 0.015 0.000 0.224 428 R C 1.814 178.133 176.300 0.031 0.000 1.122 428 R CA 0.836 56.947 56.100 0.018 0.000 0.974 428 R CB -0.280 30.036 30.300 0.026 0.000 0.871 428 R HN 0.320 nan 8.270 nan 0.000 0.435 429 N N 1.057 119.767 118.700 0.016 0.000 2.104 429 N HA -0.154 4.595 4.740 0.015 0.000 0.190 429 N C 1.761 177.280 175.510 0.016 0.000 1.024 429 N CA 1.079 54.135 53.050 0.010 0.000 0.853 429 N CB -0.206 38.280 38.487 -0.001 0.000 1.008 429 N HN 0.033 nan 8.380 nan 0.000 0.424 430 L N 1.036 122.274 121.223 0.024 0.000 2.012 430 L HA -0.058 4.291 4.340 0.015 0.000 0.210 430 L C 2.446 179.396 176.870 0.134 0.000 1.073 430 L CA 1.595 56.470 54.840 0.059 0.000 0.748 430 L CB -1.459 40.643 42.059 0.072 0.000 0.891 430 L HN 0.190 nan 8.230 nan 0.000 0.431 431 G N -1.152 107.729 108.800 0.135 0.000 2.462 431 G HA2 -0.251 3.718 3.960 0.015 0.000 0.220 431 G HA3 -0.251 3.718 3.960 0.015 0.000 0.220 431 G C 1.734 176.816 174.900 0.303 0.000 1.121 431 G CA 0.668 45.959 45.100 0.318 0.000 0.758 431 G HN 0.367 nan 8.290 nan 0.000 0.559 432 K N -0.069 120.408 120.400 0.129 0.000 2.076 432 K HA 0.065 4.394 4.320 0.015 0.000 0.204 432 K C 2.555 179.096 176.600 -0.100 0.000 1.051 432 K CA 0.741 57.048 56.287 0.034 0.000 0.949 432 K CB -0.272 32.216 32.500 -0.020 0.000 0.726 432 K HN 0.205 nan 8.250 nan 0.000 0.443 433 V N 1.324 121.165 119.914 -0.123 0.000 2.392 433 V HA -0.208 3.921 4.120 0.015 0.000 0.249 433 V C 2.388 178.390 176.094 -0.153 0.000 1.059 433 V CA 2.243 64.407 62.300 -0.227 0.000 1.051 433 V CB -0.985 30.808 31.823 -0.052 0.000 0.658 433 V HN 0.498 nan 8.190 nan 0.000 0.455 434 G N -0.332 108.438 108.800 -0.050 0.000 2.422 434 G HA2 -0.239 3.730 3.960 0.015 0.000 0.218 434 G HA3 -0.239 3.730 3.960 0.015 0.000 0.218 434 G C 1.879 176.365 174.900 -0.691 0.000 1.140 434 G CA 1.272 46.240 45.100 -0.219 0.000 0.775 434 G HN 0.635 nan 8.290 nan 0.000 0.545 435 S N 0.249 115.686 115.700 -0.439 0.000 2.388 435 S HA 0.035 4.514 4.470 0.015 0.000 0.223 435 S C 2.137 176.594 174.600 -0.240 0.000 1.034 435 S CA 1.523 59.453 58.200 -0.450 0.000 0.963 435 S CB -0.178 63.151 63.200 0.214 0.000 0.827 435 S HN 0.247 nan 8.310 nan 0.000 0.481 436 K N 0.219 120.518 120.400 -0.169 0.000 2.211 436 K HA 0.100 4.429 4.320 0.015 0.000 0.203 436 K C 1.769 178.409 176.600 0.066 0.000 1.050 436 K CA 1.520 57.761 56.287 -0.076 0.000 0.945 436 K CB -0.444 31.902 32.500 -0.257 0.000 0.732 436 K HN 0.569 nan 8.250 nan 0.000 0.451 437 c N -1.549 117.020 118.600 -0.051 0.000 2.535 437 c HA 0.145 4.724 4.570 0.015 0.000 0.310 437 c C 2.345 176.446 174.090 0.018 0.000 1.344 437 c CA -0.369 55.951 56.329 -0.015 0.000 1.831 437 c CB -0.490 41.979 42.510 -0.068 0.000 2.284 437 c HN 0.566 nan 8.230 nan 0.000 0.523 438 c N 1.650 120.131 118.600 -0.198 0.000 2.430 438 c HA -0.022 4.558 4.570 0.015 0.000 0.288 438 c C 2.981 177.010 174.090 -0.102 0.000 1.448 438 c CA 1.675 57.867 56.329 -0.229 0.000 1.784 438 c CB -1.628 40.560 42.510 -0.536 0.000 1.776 438 c HN 0.757 nan 8.230 nan 0.000 0.547 439 K N 0.081 120.458 120.400 -0.038 0.000 2.217 439 K HA -0.066 4.263 4.320 0.015 0.000 0.202 439 K C 0.788 177.357 176.600 -0.051 0.000 1.051 439 K CA 0.833 57.096 56.287 -0.040 0.000 0.952 439 K CB -0.723 31.733 32.500 -0.073 0.000 0.736 439 K HN 0.767 nan 8.250 nan 0.000 0.453 440 H N 0.427 119.468 119.070 -0.048 0.000 2.607 440 H HA 0.195 4.761 4.556 0.016 0.000 0.367 440 H C -2.296 173.016 175.328 -0.027 0.000 1.181 440 H CA -2.007 54.024 56.048 -0.027 0.000 1.402 440 H CB 1.126 30.877 29.762 -0.017 0.000 1.474 440 H HN 0.195 nan 8.280 nan 0.000 0.596 441 P HA 0.036 nan 4.420 nan 0.000 0.277 441 P C 0.784 178.114 177.300 0.049 0.000 1.240 441 P CA -0.321 62.809 63.100 0.049 0.000 0.798 441 P CB 1.015 32.732 31.700 0.029 0.000 0.979 442 E N 2.329 122.545 120.200 0.028 0.000 2.196 442 E HA -0.368 3.991 4.350 0.015 0.000 0.222 442 E C 1.841 178.455 176.600 0.023 0.000 1.072 442 E CA 2.782 59.194 56.400 0.021 0.000 0.902 442 E CB -0.783 28.927 29.700 0.018 0.000 0.780 442 E HN 0.486 nan 8.360 nan 0.000 0.467 443 A N 0.003 122.837 122.820 0.024 0.000 1.884 443 A HA -0.270 4.059 4.320 0.015 0.000 0.219 443 A C 2.245 179.836 177.584 0.012 0.000 1.197 443 A CA 2.414 54.462 52.037 0.019 0.000 0.637 443 A CB -0.620 18.387 19.000 0.011 0.000 0.827 443 A HN 0.188 nan 8.150 nan 0.000 0.450 444 K N -0.914 119.499 120.400 0.021 0.000 2.444 444 K HA 0.187 4.516 4.320 0.015 0.000 0.193 444 K C 1.891 178.452 176.600 -0.065 0.000 1.024 444 K CA 0.666 56.951 56.287 -0.004 0.000 1.077 444 K CB -0.204 32.333 32.500 0.061 0.000 0.833 444 K HN 0.616 nan 8.250 nan 0.000 0.517 445 R N 0.320 120.799 120.500 -0.035 0.000 2.064 445 R HA 0.112 4.461 4.340 0.015 0.000 0.228 445 R C 2.492 178.751 176.300 -0.069 0.000 1.144 445 R CA 2.001 58.064 56.100 -0.061 0.000 0.932 445 R CB -0.305 29.980 30.300 -0.026 0.000 0.833 445 R HN 0.210 nan 8.270 nan 0.000 0.429 446 M N 0.176 119.749 119.600 -0.044 0.000 2.082 446 M HA -0.137 4.352 4.480 0.015 0.000 0.258 446 M C -0.895 175.369 176.300 -0.060 0.000 1.069 446 M CA 2.014 57.285 55.300 -0.048 0.000 1.102 446 M CB -0.849 31.726 32.600 -0.042 0.000 1.336 446 M HN 0.023 nan 8.290 nan 0.000 0.404 447 P HA -0.112 nan 4.420 nan 0.000 0.218 447 P C 1.594 178.822 177.300 -0.119 0.000 1.149 447 P CA 1.075 64.121 63.100 -0.089 0.000 0.817 447 P CB -0.314 31.329 31.700 -0.094 0.000 0.785 448 c N 0.068 118.584 118.600 -0.140 0.000 2.455 448 c HA -0.042 4.537 4.570 0.015 0.000 0.281 448 c C 2.881 176.939 174.090 -0.053 0.000 1.237 448 c CA 1.698 57.930 56.329 -0.162 0.000 1.726 448 c CB -1.597 40.772 42.510 -0.235 0.000 2.068 448 c HN 0.243 nan 8.230 nan 0.000 0.466 449 A N 0.217 123.041 122.820 0.006 0.000 1.927 449 A HA -0.308 4.021 4.320 0.015 0.000 0.220 449 A C 2.149 179.759 177.584 0.042 0.000 1.185 449 A CA 2.388 54.465 52.037 0.067 0.000 0.639 449 A CB -1.087 17.926 19.000 0.022 0.000 0.820 449 A HN 0.879 nan 8.150 nan 0.000 0.451 450 E N -0.495 119.695 120.200 -0.018 0.000 2.077 450 E HA -0.246 4.113 4.350 0.015 0.000 0.193 450 E C 1.477 178.052 176.600 -0.041 0.000 0.989 450 E CA 1.290 57.677 56.400 -0.021 0.000 0.800 450 E CB -0.296 29.387 29.700 -0.030 0.000 0.746 450 E HN 0.595 nan 8.360 nan 0.000 0.452 451 D N -0.616 119.708 120.400 -0.127 0.000 2.123 451 D HA -0.169 4.480 4.640 0.015 0.000 0.196 451 D C 1.714 177.871 176.300 -0.237 0.000 0.992 451 D CA 1.257 55.114 54.000 -0.238 0.000 0.833 451 D CB -0.071 40.455 40.800 -0.458 0.000 0.954 451 D HN 0.329 nan 8.370 nan 0.000 0.455 452 Y N 0.255 120.550 120.300 -0.008 0.000 2.177 452 Y HA -0.047 4.512 4.550 0.014 0.000 0.291 452 Y C 2.216 178.109 175.900 -0.012 0.000 1.117 452 Y CA 0.039 58.136 58.100 -0.004 0.000 1.114 452 Y CB -0.799 37.657 38.460 -0.007 0.000 1.017 452 Y HN -0.112 nan 8.280 nan 0.000 0.505 453 L N 0.297 121.609 121.223 0.149 0.000 2.137 453 L HA -0.274 4.075 4.340 0.015 0.000 0.213 453 L C 2.598 179.480 176.870 0.021 0.000 1.085 453 L CA 2.154 57.028 54.840 0.057 0.000 0.760 453 L CB -1.318 40.763 42.059 0.037 0.000 0.893 453 L HN 0.394 nan 8.230 nan 0.000 0.434 454 S N -1.506 114.207 115.700 0.023 0.000 2.368 454 S HA -0.145 4.334 4.470 0.015 0.000 0.225 454 S C 1.910 176.515 174.600 0.008 0.000 1.030 454 S CA 1.423 59.627 58.200 0.007 0.000 0.999 454 S CB -1.000 62.196 63.200 -0.006 0.000 0.844 454 S HN 0.281 nan 8.310 nan 0.000 0.459 455 V N 0.673 120.602 119.914 0.025 0.000 2.407 455 V HA 0.013 4.142 4.120 0.015 0.000 0.245 455 V C 2.540 178.644 176.094 0.018 0.000 1.041 455 V CA 1.102 63.420 62.300 0.030 0.000 1.040 455 V CB -1.330 30.529 31.823 0.060 0.000 0.671 455 V HN 0.403 nan 8.190 nan 0.000 0.455 456 V N 0.059 119.983 119.914 0.017 0.000 2.261 456 V HA -0.214 3.916 4.120 0.015 0.000 0.246 456 V C 2.539 178.584 176.094 -0.082 0.000 1.047 456 V CA 2.011 64.297 62.300 -0.024 0.000 1.015 456 V CB -0.683 31.123 31.823 -0.028 0.000 0.642 456 V HN 0.422 nan 8.190 nan 0.000 0.446 457 L N 0.436 121.596 121.223 -0.105 0.000 2.265 457 L HA -0.130 4.219 4.340 0.015 0.000 0.215 457 L C 2.041 178.869 176.870 -0.070 0.000 1.117 457 L CA 1.847 56.585 54.840 -0.170 0.000 0.782 457 L CB -1.222 40.761 42.059 -0.127 0.000 0.914 457 L HN 0.447 nan 8.230 nan 0.000 0.441 458 N N -1.319 117.369 118.700 -0.021 0.000 2.305 458 N HA -0.160 4.589 4.740 0.015 0.000 0.179 458 N C 1.842 177.356 175.510 0.007 0.000 1.019 458 N CA 0.754 53.812 53.050 0.013 0.000 0.869 458 N CB -0.057 38.442 38.487 0.020 0.000 1.000 458 N HN 0.361 nan 8.380 nan 0.000 0.431 459 Q N 0.321 120.119 119.800 -0.004 0.000 2.096 459 Q HA -0.187 4.162 4.340 0.015 0.000 0.204 459 Q C 1.970 177.965 176.000 -0.008 0.000 0.982 459 Q CA 1.528 57.332 55.803 0.001 0.000 0.850 459 Q CB -0.278 28.460 28.738 -0.000 0.000 0.901 459 Q HN 0.491 nan 8.270 nan 0.000 0.422 460 L N 0.094 121.290 121.223 -0.045 0.000 2.201 460 L HA -0.082 4.267 4.340 0.015 0.000 0.212 460 L C 2.066 178.930 176.870 -0.010 0.000 1.105 460 L CA 1.551 56.353 54.840 -0.063 0.000 0.775 460 L CB -0.572 41.381 42.059 -0.176 0.000 0.913 460 L HN 0.282 nan 8.230 nan 0.000 0.440 461 c N -1.571 117.038 118.600 0.015 0.000 2.492 461 c HA 0.032 4.612 4.570 0.015 0.000 0.279 461 c C 2.633 176.780 174.090 0.094 0.000 1.335 461 c CA 0.592 56.968 56.329 0.078 0.000 1.734 461 c CB -0.440 42.127 42.510 0.095 0.000 2.027 461 c HN 0.483 nan 8.230 nan 0.000 0.496 462 V N 1.488 121.438 119.914 0.060 0.000 2.568 462 V HA -0.209 3.920 4.120 0.015 0.000 0.253 462 V C 2.233 178.360 176.094 0.056 0.000 1.072 462 V CA 1.586 63.917 62.300 0.051 0.000 1.084 462 V CB -0.682 31.162 31.823 0.035 0.000 0.676 462 V HN 0.556 nan 8.190 nan 0.000 0.469 463 L N -1.011 120.251 121.223 0.065 0.000 2.095 463 L HA -0.104 4.245 4.340 0.015 0.000 0.204 463 L C 2.523 179.443 176.870 0.083 0.000 1.080 463 L CA 1.605 56.481 54.840 0.060 0.000 0.759 463 L CB -0.918 41.174 42.059 0.054 0.000 0.914 463 L HN 0.403 nan 8.230 nan 0.000 0.439 464 H N 0.009 119.088 119.070 0.015 0.000 2.521 464 H HA -0.165 4.401 4.556 0.016 0.000 0.286 464 H C 2.059 177.398 175.328 0.019 0.000 1.034 464 H CA 1.093 57.154 56.048 0.021 0.000 1.278 464 H CB 0.529 30.314 29.762 0.038 0.000 1.386 464 H HN 0.278 nan 8.280 nan 0.000 0.567 465 E N 1.382 121.641 120.200 0.099 0.000 2.106 465 E HA -0.123 4.236 4.350 0.015 0.000 0.192 465 E C 1.738 178.342 176.600 0.005 0.000 0.984 465 E CA 1.379 57.808 56.400 0.049 0.000 0.806 465 E CB 0.188 29.915 29.700 0.046 0.000 0.750 465 E HN 0.296 nan 8.360 nan 0.000 0.458 466 K N -1.144 119.254 120.400 -0.003 0.000 2.308 466 K HA 0.139 4.468 4.320 0.015 0.000 0.197 466 K C 0.158 176.731 176.600 -0.045 0.000 1.049 466 K CA 1.089 57.366 56.287 -0.018 0.000 0.991 466 K CB 0.840 33.337 32.500 -0.005 0.000 0.836 466 K HN 0.140 nan 8.250 nan 0.000 0.500 467 T N 0.108 114.616 114.554 -0.078 0.000 3.542 467 T HA 0.298 4.657 4.350 0.015 0.000 0.276 467 T C -2.885 171.655 174.700 -0.266 0.000 1.412 467 T CA -2.052 59.979 62.100 -0.115 0.000 1.664 467 T CB 0.556 69.383 68.868 -0.068 0.000 0.863 467 T HN -0.210 nan 8.240 nan 0.000 0.661 468 P HA 0.125 nan 4.420 nan 0.000 0.264 468 P C 0.313 177.345 177.300 -0.446 0.000 1.179 468 P CA -0.109 62.629 63.100 -0.604 0.000 0.763 468 P CB 1.432 32.982 31.700 -0.250 0.000 0.806 469 V N 0.715 120.331 119.914 -0.497 0.000 3.177 469 V HA 0.093 4.222 4.120 0.015 0.000 0.220 469 V C 0.880 177.057 176.094 0.139 0.000 1.395 469 V CA 0.765 63.042 62.300 -0.038 0.000 1.317 469 V CB 0.598 32.467 31.823 0.076 0.000 1.148 469 V HN 0.534 nan 8.190 nan 0.000 0.499 470 S N 0.779 116.701 115.700 0.370 0.000 2.503 470 S HA 0.315 4.794 4.470 0.015 0.000 0.301 470 S C 0.547 175.289 174.600 0.237 0.000 1.087 470 S CA -0.256 58.087 58.200 0.239 0.000 1.042 470 S CB 1.575 64.867 63.200 0.153 0.000 1.043 470 S HN 0.619 nan 8.310 nan 0.000 0.489 471 D N 4.061 124.533 120.400 0.119 0.000 2.224 471 D HA -0.091 4.558 4.640 0.015 0.000 0.205 471 D C 1.512 177.833 176.300 0.036 0.000 0.965 471 D CA 0.837 54.885 54.000 0.081 0.000 0.852 471 D CB -0.022 40.807 40.800 0.048 0.000 0.947 471 D HN 0.395 nan 8.370 nan 0.000 0.494 472 R N 0.530 121.037 120.500 0.013 0.000 2.061 472 R HA 0.014 4.363 4.340 0.015 0.000 0.230 472 R C 2.593 178.825 176.300 -0.112 0.000 1.140 472 R CA 1.036 57.108 56.100 -0.045 0.000 0.940 472 R CB -0.651 29.631 30.300 -0.031 0.000 0.839 472 R HN 0.021 nan 8.270 nan 0.000 0.429 473 V N 0.558 120.401 119.914 -0.119 0.000 2.568 473 V HA -0.258 3.871 4.120 0.015 0.000 0.253 473 V C 1.910 177.873 176.094 -0.217 0.000 1.072 473 V CA 2.108 64.297 62.300 -0.185 0.000 1.084 473 V CB -0.502 31.092 31.823 -0.381 0.000 0.676 473 V HN 0.464 nan 8.190 nan 0.000 0.469 474 T N -0.784 113.700 114.554 -0.115 0.000 2.985 474 T HA -0.108 4.251 4.350 0.015 0.000 0.266 474 T C 1.910 176.599 174.700 -0.018 0.000 1.076 474 T CA 1.315 63.436 62.100 0.034 0.000 1.135 474 T CB -0.036 68.941 68.868 0.181 0.000 0.890 474 T HN 0.506 nan 8.240 nan 0.000 0.480 475 K N 0.631 120.990 120.400 -0.068 0.000 2.217 475 K HA 0.014 4.343 4.320 0.015 0.000 0.202 475 K C 1.941 178.457 176.600 -0.140 0.000 1.051 475 K CA 1.173 57.411 56.287 -0.082 0.000 0.952 475 K CB -0.448 32.003 32.500 -0.082 0.000 0.736 475 K HN 0.332 nan 8.250 nan 0.000 0.453 476 c N -0.607 117.834 118.600 -0.266 0.000 2.504 476 c HA 0.164 4.743 4.570 0.015 0.000 0.279 476 c C 2.593 176.560 174.090 -0.205 0.000 1.358 476 c CA -0.327 55.766 56.329 -0.393 0.000 1.747 476 c CB -0.918 40.981 42.510 -1.018 0.000 2.037 476 c HN 0.626 nan 8.230 nan 0.000 0.503 477 c N 2.085 120.631 118.600 -0.090 0.000 2.425 477 c HA -0.101 4.479 4.570 0.015 0.000 0.277 477 c C 3.055 177.177 174.090 0.055 0.000 1.280 477 c CA 2.212 58.579 56.329 0.063 0.000 1.744 477 c CB -1.450 41.116 42.510 0.094 0.000 1.989 477 c HN 0.821 nan 8.230 nan 0.000 0.491 478 T N -1.361 113.207 114.554 0.023 0.000 2.937 478 T HA -0.052 4.307 4.350 0.015 0.000 0.260 478 T C 0.662 175.394 174.700 0.054 0.000 1.051 478 T CA 0.413 62.532 62.100 0.031 0.000 1.141 478 T CB -0.273 68.603 68.868 0.013 0.000 0.879 478 T HN 0.605 nan 8.240 nan 0.000 0.459 479 E N 2.320 122.535 120.200 0.024 0.000 2.485 479 E HA 0.129 4.488 4.350 0.015 0.000 0.266 479 E C 0.210 176.880 176.600 0.117 0.000 1.137 479 E CA 0.100 56.523 56.400 0.038 0.000 1.010 479 E CB 0.403 30.085 29.700 -0.030 0.000 0.986 479 E HN 0.631 nan 8.360 nan 0.000 0.460 480 S N 0.813 116.588 115.700 0.125 0.000 2.566 480 S HA -0.021 4.458 4.470 0.015 0.000 0.280 480 S C 1.546 176.122 174.600 -0.040 0.000 1.343 480 S CA -0.024 58.243 58.200 0.112 0.000 1.036 480 S CB 0.778 63.983 63.200 0.009 0.000 0.866 480 S HN 0.671 nan 8.310 nan 0.000 0.526 481 L N 2.212 123.292 121.223 -0.238 0.000 2.265 481 L HA 0.064 4.413 4.340 0.015 0.000 0.215 481 L C 2.578 179.364 176.870 -0.140 0.000 1.117 481 L CA 1.814 56.543 54.840 -0.185 0.000 0.782 481 L CB -1.744 40.121 42.059 -0.325 0.000 0.914 481 L HN 0.820 nan 8.230 nan 0.000 0.441 482 V N 0.040 119.857 119.914 -0.161 0.000 3.217 482 V HA -0.098 4.031 4.120 0.015 0.000 0.264 482 V C 1.640 177.690 176.094 -0.074 0.000 1.135 482 V CA 1.509 63.745 62.300 -0.107 0.000 1.142 482 V CB -0.584 31.174 31.823 -0.109 0.000 0.754 482 V HN 0.886 nan 8.190 nan 0.000 0.484 483 N N -0.624 118.038 118.700 -0.063 0.000 2.171 483 N HA 0.105 4.854 4.740 0.015 0.000 0.212 483 N C 1.537 177.015 175.510 -0.053 0.000 1.184 483 N CA -0.094 52.924 53.050 -0.053 0.000 0.888 483 N CB 0.087 38.544 38.487 -0.050 0.000 1.038 483 N HN 0.302 nan 8.380 nan 0.000 0.517 484 R N 0.872 121.356 120.500 -0.027 0.000 2.339 484 R HA 0.099 4.448 4.340 0.015 0.000 0.199 484 R C 1.458 177.828 176.300 0.117 0.000 1.018 484 R CA 0.653 56.761 56.100 0.014 0.000 1.036 484 R CB 0.256 30.594 30.300 0.064 0.000 0.899 484 R HN 0.004 nan 8.270 nan 0.000 0.473 485 R N -0.418 120.131 120.500 0.083 0.000 2.302 485 R HA 0.131 4.480 4.340 0.015 0.000 0.187 485 R C -1.348 175.010 176.300 0.097 0.000 0.904 485 R CA 0.008 56.203 56.100 0.159 0.000 1.105 485 R CB -0.304 30.045 30.300 0.081 0.000 1.239 485 R HN 0.111 nan 8.270 nan 0.000 0.620 486 P HA -0.043 nan 4.420 nan 0.000 0.225 486 P C 1.392 178.676 177.300 -0.025 0.000 1.148 486 P CA 0.691 63.790 63.100 -0.002 0.000 0.779 486 P CB -0.176 31.507 31.700 -0.028 0.000 0.780 487 c N -1.896 116.653 118.600 -0.085 0.000 2.466 487 c HA -0.059 4.520 4.570 0.015 0.000 0.278 487 c C 2.300 176.263 174.090 -0.212 0.000 1.288 487 c CA 0.497 56.706 56.329 -0.201 0.000 1.722 487 c CB -1.957 40.334 42.510 -0.366 0.000 2.017 487 c HN 0.076 nan 8.230 nan 0.000 0.488 488 F N 1.744 121.665 119.950 -0.048 0.000 2.234 488 F HA -0.045 4.493 4.527 0.018 0.000 0.299 488 F C 2.691 178.476 175.800 -0.026 0.000 1.087 488 F CA 1.734 59.695 58.000 -0.065 0.000 1.340 488 F CB -0.706 38.229 39.000 -0.108 0.000 1.031 488 F HN 0.144 nan 8.300 nan 0.000 0.500 489 S N -0.237 115.561 115.700 0.162 0.000 2.447 489 S HA -0.072 4.407 4.470 0.015 0.000 0.233 489 S C 2.147 176.795 174.600 0.081 0.000 1.006 489 S CA 0.838 59.111 58.200 0.122 0.000 0.957 489 S CB -0.464 62.786 63.200 0.084 0.000 0.773 489 S HN 0.344 nan 8.310 nan 0.000 0.507 490 A N 0.759 123.604 122.820 0.043 0.000 2.178 490 A HA 0.364 4.693 4.320 0.015 0.000 0.211 490 A C 0.764 178.359 177.584 0.019 0.000 1.157 490 A CA -0.116 51.931 52.037 0.017 0.000 0.780 490 A CB -0.282 18.709 19.000 -0.015 0.000 0.828 490 A HN 0.396 nan 8.150 nan 0.000 0.476 491 L N 1.204 122.447 121.223 0.034 0.000 2.525 491 L HA 0.041 4.390 4.340 0.015 0.000 0.278 491 L C 0.240 177.139 176.870 0.048 0.000 1.218 491 L CA 0.313 55.174 54.840 0.036 0.000 0.878 491 L CB 0.312 42.412 42.059 0.068 0.000 1.127 491 L HN 0.396 nan 8.230 nan 0.000 0.492 492 E N 1.274 121.494 120.200 0.032 0.000 2.235 492 E HA 0.352 4.711 4.350 0.015 0.000 0.265 492 E C -0.885 175.733 176.600 0.030 0.000 0.940 492 E CA -1.030 55.389 56.400 0.031 0.000 0.819 492 E CB 2.073 31.786 29.700 0.021 0.000 1.206 492 E HN 0.216 nan 8.360 nan 0.000 0.409 493 V N 2.356 122.285 119.914 0.025 0.000 2.681 493 V HA -0.128 4.001 4.120 0.015 0.000 0.306 493 V C 0.242 176.351 176.094 0.025 0.000 1.077 493 V CA 0.677 62.989 62.300 0.019 0.000 1.224 493 V CB 0.082 31.914 31.823 0.014 0.000 0.879 493 V HN 0.656 nan 8.190 nan 0.000 0.494 494 D N 4.546 124.960 120.400 0.023 0.000 2.339 494 D HA 0.084 4.733 4.640 0.015 0.000 0.256 494 D C 0.969 177.317 176.300 0.081 0.000 1.214 494 D CA -0.129 53.900 54.000 0.049 0.000 0.877 494 D CB 1.117 41.944 40.800 0.044 0.000 1.111 494 D HN 0.612 nan 8.370 nan 0.000 0.478 495 E N 1.967 122.210 120.200 0.072 0.000 2.364 495 E HA -0.025 4.334 4.350 0.015 0.000 0.196 495 E C 1.453 178.101 176.600 0.080 0.000 0.990 495 E CA 0.337 56.779 56.400 0.070 0.000 0.886 495 E CB 0.107 29.833 29.700 0.043 0.000 0.866 495 E HN 0.434 nan 8.360 nan 0.000 0.493 496 T N 0.942 115.548 114.554 0.087 0.000 2.951 496 T HA -0.132 4.227 4.350 0.015 0.000 0.268 496 T C 0.552 175.312 174.700 0.100 0.000 1.073 496 T CA 0.373 62.518 62.100 0.076 0.000 1.134 496 T CB -0.378 68.532 68.868 0.070 0.000 0.884 496 T HN 0.154 nan 8.240 nan 0.000 0.479 497 Y N 3.254 123.561 120.300 0.013 0.000 2.717 497 Y HA 0.198 4.757 4.550 0.015 0.000 0.330 497 Y C -0.284 175.621 175.900 0.009 0.000 1.217 497 Y CA -0.904 57.204 58.100 0.015 0.000 1.506 497 Y CB 0.275 38.746 38.460 0.018 0.000 1.268 497 Y HN -0.119 nan 8.280 nan 0.000 0.561 498 V N 8.530 128.052 119.914 -0.653 0.000 2.328 498 V HA 0.322 4.451 4.120 0.015 0.000 0.278 498 V C -2.048 173.568 176.094 -0.796 0.000 1.021 498 V CA -2.260 59.733 62.300 -0.510 0.000 0.838 498 V CB 0.528 32.180 31.823 -0.285 0.000 0.999 498 V HN 0.733 nan 8.190 nan 0.000 0.447 499 P HA -0.008 nan 4.420 nan 0.000 0.267 499 P C -0.003 177.218 177.300 -0.132 0.000 1.175 499 P CA 0.344 63.315 63.100 -0.216 0.000 0.763 499 P CB 0.722 32.346 31.700 -0.126 0.000 0.795 500 K N 0.916 121.355 120.400 0.064 0.000 2.140 500 K HA 0.419 4.748 4.320 0.015 0.000 0.237 500 K C 0.704 177.456 176.600 0.254 0.000 1.045 500 K CA -0.113 56.260 56.287 0.142 0.000 0.896 500 K CB 0.204 32.834 32.500 0.216 0.000 1.122 500 K HN 0.619 nan 8.250 nan 0.000 0.503 501 E N 0.729 121.069 120.200 0.233 0.000 2.195 501 E HA 0.285 4.644 4.350 0.015 0.000 0.271 501 E C -0.810 175.927 176.600 0.229 0.000 0.923 501 E CA -0.867 55.700 56.400 0.278 0.000 0.790 501 E CB 0.704 30.502 29.700 0.163 0.000 1.155 501 E HN 0.402 nan 8.360 nan 0.000 0.402 502 F N 2.763 122.729 119.950 0.027 0.000 2.604 502 F HA 0.099 4.635 4.527 0.015 0.000 0.393 502 F C 0.682 176.486 175.800 0.007 0.000 1.043 502 F CA 1.098 59.030 58.000 -0.114 0.000 1.227 502 F CB 0.623 39.526 39.000 -0.162 0.000 1.016 502 F HN 0.525 nan 8.300 nan 0.000 0.556 503 N N 4.952 123.360 118.700 -0.486 0.000 2.727 503 N HA 0.266 5.015 4.740 0.015 0.000 0.252 503 N C 0.542 175.762 175.510 -0.484 0.000 1.283 503 N CA 0.379 53.250 53.050 -0.298 0.000 0.782 503 N CB 1.090 39.459 38.487 -0.197 0.000 1.199 503 N HN 0.739 nan 8.380 nan 0.000 0.520 504 A N 2.128 124.712 122.820 -0.393 0.000 2.001 504 A HA -0.322 4.007 4.320 0.015 0.000 0.224 504 A C 1.986 179.457 177.584 -0.188 0.000 1.203 504 A CA 2.836 54.773 52.037 -0.165 0.000 0.667 504 A CB -0.939 18.170 19.000 0.182 0.000 0.823 504 A HN 0.708 nan 8.150 nan 0.000 0.473 505 E N -1.157 118.933 120.200 -0.183 0.000 2.160 505 E HA -0.171 4.188 4.350 0.015 0.000 0.195 505 E C 1.894 178.320 176.600 -0.290 0.000 0.991 505 E CA 1.977 58.268 56.400 -0.182 0.000 0.810 505 E CB -1.705 27.924 29.700 -0.118 0.000 0.742 505 E HN 0.779 nan 8.360 nan 0.000 0.466 506 T N -0.656 113.635 114.554 -0.439 0.000 2.962 506 T HA 0.068 4.427 4.350 0.015 0.000 0.270 506 T C 0.560 174.676 174.700 -0.973 0.000 1.088 506 T CA 0.906 62.577 62.100 -0.715 0.000 1.127 506 T CB -0.211 68.076 68.868 -0.969 0.000 0.883 506 T HN 0.450 nan 8.240 nan 0.000 0.493 507 F N 1.124 120.875 119.950 -0.331 0.000 2.805 507 F HA 0.338 4.873 4.527 0.015 0.000 0.317 507 F C 0.368 175.766 175.800 -0.671 0.000 1.146 507 F CA -0.746 57.068 58.000 -0.309 0.000 1.265 507 F CB 0.229 39.086 39.000 -0.237 0.000 0.992 507 F HN -0.176 nan 8.300 nan 0.000 0.511 508 T N 2.331 116.556 114.554 -0.549 0.000 2.788 508 T HA 0.421 4.780 4.350 0.015 0.000 0.296 508 T C -0.737 173.534 174.700 -0.715 0.000 1.009 508 T CA -0.312 61.333 62.100 -0.758 0.000 0.949 508 T CB 0.043 68.638 68.868 -0.455 0.000 0.946 508 T HN 0.007 nan 8.240 nan 0.000 0.453 509 F N 1.570 121.419 119.950 -0.168 0.000 2.325 509 F HA 0.532 5.068 4.527 0.015 0.000 0.369 509 F C 0.355 176.105 175.800 -0.084 0.000 1.095 509 F CA -1.548 56.405 58.000 -0.079 0.000 1.082 509 F CB -0.287 38.773 39.000 0.101 0.000 1.289 509 F HN 0.487 nan 8.300 nan 0.000 0.462 510 H N 1.034 120.236 119.070 0.221 0.000 2.551 510 H HA 0.550 5.115 4.556 0.015 0.000 0.358 510 H C 0.243 175.669 175.328 0.164 0.000 1.151 510 H CA -0.489 55.658 56.048 0.166 0.000 1.374 510 H CB 1.290 31.106 29.762 0.090 0.000 1.473 510 H HN 0.879 nan 8.280 nan 0.000 0.574 511 A N 2.545 125.519 122.820 0.257 0.000 2.901 511 A HA -0.044 4.285 4.320 0.015 0.000 0.289 511 A C -0.005 177.654 177.584 0.125 0.000 1.779 511 A CA 0.206 52.336 52.037 0.154 0.000 1.352 511 A CB -0.643 18.418 19.000 0.102 0.000 1.008 511 A HN 0.750 nan 8.150 nan 0.000 0.596 512 D N 1.084 121.562 120.400 0.131 0.000 2.871 512 D HA -0.025 4.624 4.640 0.015 0.000 0.291 512 D C 1.862 178.209 176.300 0.079 0.000 1.150 512 D CA 0.920 54.979 54.000 0.098 0.000 0.999 512 D CB -0.670 40.198 40.800 0.114 0.000 1.452 512 D HN 0.603 nan 8.370 nan 0.000 0.465 513 I N 0.812 121.441 120.570 0.097 0.000 2.290 513 I HA -0.301 3.878 4.170 0.015 0.000 0.253 513 I C 1.980 178.122 176.117 0.042 0.000 1.112 513 I CA 1.361 62.707 61.300 0.077 0.000 1.377 513 I CB -1.060 37.000 38.000 0.100 0.000 1.060 513 I HN -0.034 nan 8.210 nan 0.000 0.428 514 c N -0.372 118.249 118.600 0.035 0.000 2.422 514 c HA -0.087 4.492 4.570 0.015 0.000 0.279 514 c C 2.289 176.383 174.090 0.007 0.000 1.305 514 c CA 1.194 57.528 56.329 0.009 0.000 1.757 514 c CB -1.875 40.637 42.510 0.003 0.000 1.962 514 c HN 0.723 nan 8.230 nan 0.000 0.499 515 T N 0.608 115.172 114.554 0.018 0.000 3.275 515 T HA 0.484 4.843 4.350 0.015 0.000 0.265 515 T C -0.259 174.451 174.700 0.016 0.000 0.978 515 T CA 0.006 62.114 62.100 0.014 0.000 0.923 515 T CB -0.622 68.255 68.868 0.016 0.000 1.126 515 T HN 0.323 nan 8.240 nan 0.000 0.538 516 L N 1.961 123.194 121.223 0.016 0.000 2.354 516 L HA 0.575 4.924 4.340 0.015 0.000 0.269 516 L C 0.728 177.602 176.870 0.006 0.000 1.005 516 L CA -1.078 53.773 54.840 0.018 0.000 0.819 516 L CB 2.217 44.294 42.059 0.030 0.000 1.311 516 L HN 0.326 nan 8.230 nan 0.000 0.423 517 S N 0.439 116.142 115.700 0.006 0.000 2.580 517 S HA 0.042 4.521 4.470 0.015 0.000 0.266 517 S C 0.916 175.510 174.600 -0.011 0.000 1.354 517 S CA -0.531 57.668 58.200 -0.002 0.000 1.008 517 S CB 0.912 64.114 63.200 0.004 0.000 0.898 517 S HN 0.606 nan 8.310 nan 0.000 0.555 518 E N 1.974 122.159 120.200 -0.025 0.000 2.070 518 E HA -0.192 4.167 4.350 0.015 0.000 0.197 518 E C 2.664 179.247 176.600 -0.028 0.000 1.004 518 E CA 2.153 58.523 56.400 -0.050 0.000 0.805 518 E CB -1.163 28.502 29.700 -0.059 0.000 0.744 518 E HN 0.870 nan 8.360 nan 0.000 0.451 519 K N 1.471 121.871 120.400 -0.001 0.000 2.113 519 K HA -0.190 4.139 4.320 0.015 0.000 0.208 519 K C 1.909 178.528 176.600 0.032 0.000 1.047 519 K CA 1.761 58.062 56.287 0.023 0.000 0.928 519 K CB -0.509 32.006 32.500 0.025 0.000 0.716 519 K HN 0.052 nan 8.250 nan 0.000 0.446 520 E N -0.344 119.871 120.200 0.025 0.000 2.170 520 E HA 0.016 4.375 4.350 0.015 0.000 0.191 520 E C 2.263 178.889 176.600 0.043 0.000 0.981 520 E CA 0.602 57.023 56.400 0.035 0.000 0.830 520 E CB -0.074 29.645 29.700 0.032 0.000 0.775 520 E HN 0.588 nan 8.360 nan 0.000 0.470 521 R N 0.748 121.264 120.500 0.026 0.000 2.081 521 R HA -0.103 4.246 4.340 0.015 0.000 0.235 521 R C 2.455 178.793 176.300 0.064 0.000 1.131 521 R CA 1.551 57.671 56.100 0.033 0.000 0.960 521 R CB -0.049 30.242 30.300 -0.014 0.000 0.856 521 R HN 0.223 nan 8.270 nan 0.000 0.436 522 Q N 0.101 119.931 119.800 0.050 0.000 1.990 522 Q HA -0.130 4.219 4.340 0.015 0.000 0.200 522 Q C 2.200 178.308 176.000 0.180 0.000 0.980 522 Q CA 1.495 57.403 55.803 0.175 0.000 0.832 522 Q CB -0.179 28.681 28.738 0.203 0.000 0.897 522 Q HN 0.339 nan 8.270 nan 0.000 0.427 523 I N 1.042 121.681 120.570 0.115 0.000 2.248 523 I HA -0.337 3.842 4.170 0.015 0.000 0.248 523 I C 2.233 178.389 176.117 0.064 0.000 1.107 523 I CA 1.395 62.742 61.300 0.079 0.000 1.373 523 I CB -0.324 37.709 38.000 0.055 0.000 1.055 523 I HN 0.223 nan 8.210 nan 0.000 0.418 524 K N 0.889 121.334 120.400 0.075 0.000 2.025 524 K HA -0.168 4.161 4.320 0.015 0.000 0.207 524 K C 2.163 178.809 176.600 0.076 0.000 1.049 524 K CA 1.373 57.704 56.287 0.074 0.000 0.933 524 K CB -0.098 32.461 32.500 0.098 0.000 0.714 524 K HN 0.279 nan 8.250 nan 0.000 0.438 525 K N 1.003 121.471 120.400 0.114 0.000 2.025 525 K HA -0.168 4.161 4.320 0.015 0.000 0.207 525 K C 2.307 178.912 176.600 0.008 0.000 1.049 525 K CA 1.428 57.767 56.287 0.087 0.000 0.933 525 K CB -0.078 32.545 32.500 0.205 0.000 0.714 525 K HN 0.146 nan 8.250 nan 0.000 0.438 526 Q N 0.128 119.958 119.800 0.051 0.000 2.096 526 Q HA -0.151 4.198 4.340 0.015 0.000 0.204 526 Q C 2.076 178.057 176.000 -0.032 0.000 0.982 526 Q CA 1.924 57.723 55.803 -0.007 0.000 0.850 526 Q CB -0.130 28.615 28.738 0.012 0.000 0.901 526 Q HN 0.308 nan 8.270 nan 0.000 0.422 527 T N 0.373 114.914 114.554 -0.021 0.000 2.759 527 T HA -0.177 4.182 4.350 0.015 0.000 0.269 527 T C 1.742 176.391 174.700 -0.084 0.000 1.042 527 T CA 1.248 63.321 62.100 -0.045 0.000 1.140 527 T CB -0.210 68.635 68.868 -0.039 0.000 0.864 527 T HN 0.407 nan 8.240 nan 0.000 0.455 528 A N 1.008 123.768 122.820 -0.100 0.000 1.970 528 A HA 0.106 4.435 4.320 0.015 0.000 0.216 528 A C 2.156 179.708 177.584 -0.054 0.000 1.170 528 A CA 0.695 52.644 52.037 -0.146 0.000 0.645 528 A CB -0.605 18.310 19.000 -0.142 0.000 0.816 528 A HN 0.368 nan 8.150 nan 0.000 0.447 529 L N 0.297 121.477 121.223 -0.072 0.000 2.012 529 L HA -0.135 4.214 4.340 0.015 0.000 0.210 529 L C 2.433 179.293 176.870 -0.017 0.000 1.073 529 L CA 2.042 56.848 54.840 -0.056 0.000 0.748 529 L CB -0.948 41.058 42.059 -0.088 0.000 0.891 529 L HN 0.188 nan 8.230 nan 0.000 0.431 530 V N -0.231 119.665 119.914 -0.030 0.000 2.295 530 V HA -0.240 3.890 4.120 0.015 0.000 0.246 530 V C 2.649 178.753 176.094 0.017 0.000 1.049 530 V CA 1.756 64.045 62.300 -0.018 0.000 1.024 530 V CB -0.675 31.131 31.823 -0.029 0.000 0.648 530 V HN 0.429 nan 8.190 nan 0.000 0.447 531 E N -0.136 120.068 120.200 0.006 0.000 2.153 531 E HA -0.209 4.151 4.350 0.015 0.000 0.194 531 E C 2.077 178.813 176.600 0.227 0.000 0.988 531 E CA 1.089 57.514 56.400 0.041 0.000 0.811 531 E CB -0.396 29.213 29.700 -0.150 0.000 0.746 531 E HN 0.470 nan 8.360 nan 0.000 0.466 532 L N 0.412 121.789 121.223 0.257 0.000 2.027 532 L HA -0.114 4.235 4.340 0.015 0.000 0.206 532 L C 2.228 179.218 176.870 0.201 0.000 1.074 532 L CA 1.357 56.383 54.840 0.309 0.000 0.745 532 L CB -0.622 41.555 42.059 0.197 0.000 0.898 532 L HN -0.110 nan 8.230 nan 0.000 0.433 533 V N -0.255 119.727 119.914 0.113 0.000 2.515 533 V HA -0.230 3.899 4.120 0.015 0.000 0.250 533 V C 2.550 178.705 176.094 0.101 0.000 1.058 533 V CA 1.669 64.011 62.300 0.069 0.000 1.064 533 V CB -0.678 31.150 31.823 0.009 0.000 0.675 533 V HN 0.449 nan 8.190 nan 0.000 0.461 534 K N -0.857 119.623 120.400 0.133 0.000 2.288 534 K HA -0.161 4.168 4.320 0.015 0.000 0.201 534 K C 2.093 178.878 176.600 0.308 0.000 1.048 534 K CA 1.234 57.639 56.287 0.197 0.000 0.956 534 K CB -0.126 32.473 32.500 0.165 0.000 0.746 534 K HN 0.574 nan 8.250 nan 0.000 0.461 535 H N 0.396 119.580 119.070 0.189 0.000 2.329 535 H HA 0.064 4.630 4.556 0.015 0.000 0.306 535 H C 0.031 175.439 175.328 0.134 0.000 1.062 535 H CA 1.032 57.186 56.048 0.176 0.000 1.364 535 H CB 0.567 30.447 29.762 0.197 0.000 1.409 535 H HN -0.292 nan 8.280 nan 0.000 0.519 536 K N 1.979 122.373 120.400 -0.011 0.000 2.499 536 K HA 0.220 4.549 4.320 0.015 0.000 0.215 536 K C -2.333 174.277 176.600 0.016 0.000 1.041 536 K CA -0.952 55.290 56.287 -0.075 0.000 1.031 536 K CB 1.106 33.587 32.500 -0.031 0.000 1.479 536 K HN 0.491 nan 8.250 nan 0.000 0.518 537 P HA -0.035 nan 4.420 nan 0.000 0.237 537 P C 0.303 177.623 177.300 0.033 0.000 1.178 537 P CA 0.701 63.840 63.100 0.064 0.000 0.766 537 P CB 0.345 32.136 31.700 0.152 0.000 0.876 538 K N -0.383 120.026 120.400 0.016 0.000 2.372 538 K HA 0.288 4.617 4.320 0.015 0.000 0.200 538 K C 0.724 177.324 176.600 -0.001 0.000 1.022 538 K CA -0.268 56.023 56.287 0.007 0.000 1.125 538 K CB 0.660 33.160 32.500 0.001 0.000 0.855 538 K HN 0.031 nan 8.250 nan 0.000 0.524 539 A N 1.864 124.683 122.820 -0.000 0.000 2.454 539 A HA 0.188 4.517 4.320 0.015 0.000 0.260 539 A C 0.449 178.030 177.584 -0.005 0.000 1.106 539 A CA 0.039 52.074 52.037 -0.002 0.000 0.780 539 A CB 0.008 19.009 19.000 0.002 0.000 1.044 539 A HN 0.150 nan 8.150 nan 0.000 0.498 540 T N 2.189 116.740 114.554 -0.005 0.000 2.680 540 T HA 0.356 4.715 4.350 0.015 0.000 0.314 540 T C 1.959 176.652 174.700 -0.011 0.000 1.045 540 T CA 0.435 62.531 62.100 -0.007 0.000 1.025 540 T CB 0.314 69.179 68.868 -0.005 0.000 1.000 540 T HN 0.881 nan 8.240 nan 0.000 0.535 541 K N 0.313 120.705 120.400 -0.014 0.000 2.365 541 K HA -0.003 4.326 4.320 0.015 0.000 0.199 541 K C 1.911 178.504 176.600 -0.011 0.000 1.045 541 K CA 0.946 57.222 56.287 -0.018 0.000 0.962 541 K CB -0.407 32.081 32.500 -0.020 0.000 0.759 541 K HN 0.537 nan 8.250 nan 0.000 0.469 542 E N 0.616 120.812 120.200 -0.006 0.000 2.024 542 E HA -0.069 4.290 4.350 0.015 0.000 0.190 542 E C 2.264 178.865 176.600 0.001 0.000 0.974 542 E CA 0.852 57.251 56.400 -0.001 0.000 0.810 542 E CB -0.263 29.437 29.700 0.000 0.000 0.775 542 E HN 0.675 nan 8.360 nan 0.000 0.453 543 Q N 0.272 120.072 119.800 -0.000 0.000 2.082 543 Q HA -0.224 4.125 4.340 0.015 0.000 0.211 543 Q C 2.255 178.257 176.000 0.002 0.000 1.002 543 Q CA 1.455 57.259 55.803 0.002 0.000 0.868 543 Q CB -0.268 28.470 28.738 -0.000 0.000 0.931 543 Q HN 0.096 nan 8.270 nan 0.000 0.414 544 L N 1.120 122.342 121.223 -0.002 0.000 2.046 544 L HA -0.205 4.144 4.340 0.015 0.000 0.208 544 L C 2.343 179.211 176.870 -0.003 0.000 1.077 544 L CA 1.803 56.639 54.840 -0.006 0.000 0.747 544 L CB -0.539 41.511 42.059 -0.016 0.000 0.896 544 L HN 0.132 nan 8.230 nan 0.000 0.432 545 K N -0.772 119.627 120.400 -0.001 0.000 2.103 545 K HA -0.215 4.114 4.320 0.015 0.000 0.207 545 K C 1.952 178.565 176.600 0.021 0.000 1.048 545 K CA 1.352 57.644 56.287 0.007 0.000 0.930 545 K CB -0.114 32.389 32.500 0.006 0.000 0.716 545 K HN 0.336 nan 8.250 nan 0.000 0.444 546 A N 0.952 123.784 122.820 0.020 0.000 1.841 546 A HA -0.153 4.176 4.320 0.015 0.000 0.216 546 A C 2.267 179.877 177.584 0.043 0.000 1.199 546 A CA 2.030 54.085 52.037 0.030 0.000 0.621 546 A CB -0.983 18.031 19.000 0.023 0.000 0.835 546 A HN 0.168 nan 8.150 nan 0.000 0.445 547 V N 0.008 119.942 119.914 0.034 0.000 2.380 547 V HA -0.367 3.762 4.120 0.015 0.000 0.251 547 V C 2.623 178.760 176.094 0.071 0.000 1.063 547 V CA 2.395 64.721 62.300 0.043 0.000 1.055 547 V CB -0.825 31.004 31.823 0.011 0.000 0.657 547 V HN 0.567 nan 8.190 nan 0.000 0.455 548 M N -0.125 119.504 119.600 0.048 0.000 2.374 548 M HA -0.103 4.386 4.480 0.015 0.000 0.264 548 M C 2.051 178.439 176.300 0.147 0.000 1.067 548 M CA 1.828 57.173 55.300 0.074 0.000 1.103 548 M CB -0.855 31.763 32.600 0.030 0.000 1.402 548 M HN 0.686 nan 8.290 nan 0.000 0.444 549 D N 0.564 121.029 120.400 0.108 0.000 2.107 549 D HA -0.158 4.491 4.640 0.015 0.000 0.204 549 D C 1.470 177.843 176.300 0.121 0.000 0.978 549 D CA 1.340 55.400 54.000 0.100 0.000 0.852 549 D CB -0.660 40.180 40.800 0.066 0.000 1.008 549 D HN 0.318 nan 8.370 nan 0.000 0.458 550 D N -1.252 119.219 120.400 0.117 0.000 2.393 550 D HA -0.044 4.605 4.640 0.015 0.000 0.220 550 D C 1.201 177.602 176.300 0.168 0.000 0.974 550 D CA 0.415 54.489 54.000 0.124 0.000 0.931 550 D CB -0.192 40.672 40.800 0.108 0.000 0.889 550 D HN 0.585 nan 8.370 nan 0.000 0.512 551 F N 0.496 120.455 119.950 0.015 0.000 2.500 551 F HA 0.267 4.804 4.527 0.016 0.000 0.285 551 F C 2.162 177.976 175.800 0.023 0.000 1.088 551 F CA 0.434 58.412 58.000 -0.037 0.000 1.432 551 F CB 0.087 39.030 39.000 -0.096 0.000 1.131 551 F HN -0.087 nan 8.300 nan 0.000 0.582 552 A N 0.776 123.696 122.820 0.166 0.000 1.902 552 A HA -0.073 4.256 4.320 0.015 0.000 0.217 552 A C 2.358 179.930 177.584 -0.020 0.000 1.181 552 A CA 1.871 53.955 52.037 0.079 0.000 0.623 552 A CB -1.488 17.581 19.000 0.115 0.000 0.818 552 A HN 0.463 nan 8.150 nan 0.000 0.443 553 A N -0.983 121.844 122.820 0.012 0.000 1.855 553 A HA -0.008 4.321 4.320 0.015 0.000 0.215 553 A C 2.034 179.592 177.584 -0.044 0.000 1.191 553 A CA 1.576 53.608 52.037 -0.008 0.000 0.613 553 A CB -0.861 18.152 19.000 0.023 0.000 0.829 553 A HN 0.723 nan 8.150 nan 0.000 0.442 554 F N 1.293 121.122 119.950 -0.202 0.000 2.045 554 F HA -0.297 4.239 4.527 0.015 0.000 0.297 554 F C 2.232 177.839 175.800 -0.322 0.000 1.114 554 F CA 2.525 60.368 58.000 -0.260 0.000 1.207 554 F CB -0.716 38.066 39.000 -0.364 0.000 0.964 554 F HN 0.049 nan 8.300 nan 0.000 0.486 555 V N 0.484 120.291 119.914 -0.178 0.000 2.277 555 V HA -0.383 3.746 4.120 0.015 0.000 0.253 555 V C 2.710 178.664 176.094 -0.233 0.000 1.067 555 V CA 2.773 64.925 62.300 -0.248 0.000 1.047 555 V CB -2.113 29.546 31.823 -0.274 0.000 0.649 555 V HN 0.646 nan 8.190 nan 0.000 0.447 556 E N 0.402 120.494 120.200 -0.181 0.000 2.005 556 E HA -0.341 4.018 4.350 0.015 0.000 0.198 556 E C 2.376 178.869 176.600 -0.179 0.000 1.010 556 E CA 2.203 58.518 56.400 -0.142 0.000 0.825 556 E CB -1.047 28.594 29.700 -0.097 0.000 0.769 556 E HN 0.509 nan 8.360 nan 0.000 0.456 557 K N -0.731 119.545 120.400 -0.206 0.000 2.448 557 K HA -0.149 4.181 4.320 0.015 0.000 0.200 557 K C 1.689 178.123 176.600 -0.276 0.000 1.045 557 K CA 1.577 57.732 56.287 -0.221 0.000 0.933 557 K CB -1.650 30.714 32.500 -0.228 0.000 0.755 557 K HN 0.734 nan 8.250 nan 0.000 0.481 558 c N -2.282 116.113 118.600 -0.341 0.000 3.559 558 c HA 0.429 5.008 4.570 0.015 0.000 0.314 558 c C 1.507 175.497 174.090 -0.166 0.000 1.419 558 c CA -0.332 55.818 56.329 -0.298 0.000 1.775 558 c CB -0.526 41.692 42.510 -0.487 0.000 2.430 558 c HN 0.709 nan 8.230 nan 0.000 0.686 559 c N 0.704 119.219 118.600 -0.143 0.000 2.994 559 c HA 0.251 4.830 4.570 0.015 0.000 0.284 559 c C 1.560 175.608 174.090 -0.071 0.000 1.404 559 c CA 0.080 56.359 56.329 -0.082 0.000 1.775 559 c CB -1.349 41.119 42.510 -0.069 0.000 2.458 559 c HN 0.646 nan 8.230 nan 0.000 0.593 560 K N 0.443 120.793 120.400 -0.083 0.000 2.554 560 K HA 0.413 4.742 4.320 0.015 0.000 0.211 560 K C 0.111 176.674 176.600 -0.062 0.000 1.226 560 K CA 0.186 56.433 56.287 -0.066 0.000 1.025 560 K CB 0.665 33.123 32.500 -0.069 0.000 1.021 560 K HN 0.317 nan 8.250 nan 0.000 0.600 561 A N 0.171 122.949 122.820 -0.070 0.000 2.355 561 A HA 0.469 4.798 4.320 0.015 0.000 0.324 561 A C 0.441 177.997 177.584 -0.045 0.000 1.117 561 A CA 0.218 52.218 52.037 -0.061 0.000 0.785 561 A CB 1.098 20.051 19.000 -0.079 0.000 1.254 561 A HN 0.297 nan 8.150 nan 0.000 0.453 562 D N 0.496 120.875 120.400 -0.034 0.000 2.393 562 D HA -0.085 4.564 4.640 0.015 0.000 0.220 562 D C 0.314 176.603 176.300 -0.019 0.000 0.974 562 D CA 1.604 55.589 54.000 -0.024 0.000 0.931 562 D CB 0.001 40.789 40.800 -0.019 0.000 0.889 562 D HN 0.522 nan 8.370 nan 0.000 0.512 563 D N -0.915 119.472 120.400 -0.022 0.000 2.861 563 D HA 0.337 4.986 4.640 0.015 0.000 0.357 563 D C 0.219 176.514 176.300 -0.008 0.000 1.250 563 D CA 0.088 54.082 54.000 -0.011 0.000 0.802 563 D CB -0.038 40.757 40.800 -0.008 0.000 1.141 563 D HN 0.519 nan 8.370 nan 0.000 0.489 564 K N 1.107 121.502 120.400 -0.008 0.000 2.524 564 K HA 0.059 4.388 4.320 0.015 0.000 0.279 564 K C 1.026 177.646 176.600 0.033 0.000 0.993 564 K CA 0.611 56.901 56.287 0.005 0.000 1.030 564 K CB -0.060 32.445 32.500 0.008 0.000 0.891 564 K HN 0.511 nan 8.250 nan 0.000 0.488 565 E N -0.092 120.146 120.200 0.064 0.000 4.229 565 E HA -0.165 4.194 4.350 0.015 0.000 0.250 565 E C 1.450 178.109 176.600 0.099 0.000 0.673 565 E CA 1.603 58.064 56.400 0.102 0.000 2.335 565 E CB -1.494 28.247 29.700 0.069 0.000 1.684 565 E HN 0.753 nan 8.360 nan 0.000 0.598 566 T N -0.127 114.463 114.554 0.061 0.000 3.010 566 T HA 0.012 4.371 4.350 0.015 0.000 0.252 566 T C 1.540 176.273 174.700 0.056 0.000 1.047 566 T CA 1.102 63.235 62.100 0.055 0.000 1.140 566 T CB -0.070 68.816 68.868 0.030 0.000 0.885 566 T HN 0.395 nan 8.240 nan 0.000 0.464 567 c N 1.118 119.731 118.600 0.022 0.000 2.432 567 c HA 0.125 4.704 4.570 0.015 0.000 0.282 567 c C 2.704 176.808 174.090 0.025 0.000 1.388 567 c CA 0.884 57.194 56.329 -0.031 0.000 1.777 567 c CB -1.690 40.749 42.510 -0.117 0.000 1.882 567 c HN 0.607 nan 8.230 nan 0.000 0.520 568 F N -0.490 119.547 119.950 0.144 0.000 2.473 568 F HA 0.467 5.003 4.527 0.015 0.000 0.294 568 F C 2.338 178.338 175.800 0.333 0.000 1.103 568 F CA 1.120 59.340 58.000 0.367 0.000 1.442 568 F CB -1.063 38.141 39.000 0.340 0.000 1.097 568 F HN 0.437 nan 8.300 nan 0.000 0.547 569 A N 0.109 123.053 122.820 0.207 0.000 1.911 569 A HA 0.301 4.630 4.320 0.015 0.000 0.212 569 A C 2.016 179.688 177.584 0.147 0.000 1.189 569 A CA 1.765 53.895 52.037 0.154 0.000 0.639 569 A CB -1.242 17.833 19.000 0.124 0.000 0.839 569 A HN 0.680 nan 8.150 nan 0.000 0.449 570 E N 0.047 120.329 120.200 0.137 0.000 2.021 570 E HA -0.131 4.228 4.350 0.015 0.000 0.189 570 E C 1.800 178.500 176.600 0.167 0.000 0.980 570 E CA 1.288 57.758 56.400 0.117 0.000 0.803 570 E CB -0.656 29.089 29.700 0.075 0.000 0.766 570 E HN 0.478 nan 8.360 nan 0.000 0.449 571 E N 0.338 120.665 120.200 0.211 0.000 2.268 571 E HA -0.031 4.328 4.350 0.015 0.000 0.195 571 E C 2.261 179.239 176.600 0.630 0.000 0.995 571 E CA 0.855 57.454 56.400 0.331 0.000 0.836 571 E CB -0.443 29.340 29.700 0.139 0.000 0.763 571 E HN 0.532 nan 8.360 nan 0.000 0.491 572 G N 1.273 110.430 108.800 0.595 0.000 2.404 572 G HA2 -0.274 3.695 3.960 0.015 0.000 0.215 572 G HA3 -0.274 3.695 3.960 0.015 0.000 0.215 572 G C 1.811 176.827 174.900 0.193 0.000 1.174 572 G CA 0.828 46.177 45.100 0.415 0.000 0.780 572 G HN 0.220 nan 8.290 nan 0.000 0.537 573 K N 0.611 121.099 120.400 0.148 0.000 2.281 573 K HA 0.027 4.356 4.320 0.015 0.000 0.203 573 K C 2.382 179.032 176.600 0.085 0.000 1.046 573 K CA 1.325 57.665 56.287 0.088 0.000 0.938 573 K CB -0.269 32.272 32.500 0.069 0.000 0.737 573 K HN 0.484 nan 8.250 nan 0.000 0.458 574 K N -0.195 120.281 120.400 0.127 0.000 2.116 574 K HA 0.093 4.422 4.320 0.015 0.000 0.203 574 K C 2.122 178.782 176.600 0.100 0.000 1.052 574 K CA 0.757 57.108 56.287 0.107 0.000 0.952 574 K CB -0.206 32.372 32.500 0.129 0.000 0.729 574 K HN 0.029 nan 8.250 nan 0.000 0.446 575 L N 0.925 122.225 121.223 0.130 0.000 1.988 575 L HA -0.149 4.200 4.340 0.015 0.000 0.207 575 L C 2.145 179.055 176.870 0.067 0.000 1.071 575 L CA 1.407 56.305 54.840 0.098 0.000 0.744 575 L CB -0.476 41.615 42.059 0.053 0.000 0.893 575 L HN -0.120 nan 8.230 nan 0.000 0.433 576 V N -0.188 119.768 119.914 0.071 0.000 2.332 576 V HA -0.356 3.773 4.120 0.015 0.000 0.248 576 V C 2.695 178.760 176.094 -0.050 0.000 1.055 576 V CA 1.766 64.081 62.300 0.025 0.000 1.038 576 V CB -1.169 30.699 31.823 0.075 0.000 0.651 576 V HN 0.594 nan 8.190 nan 0.000 0.450 577 A N -0.205 122.597 122.820 -0.030 0.000 1.858 577 A HA -0.140 4.189 4.320 0.015 0.000 0.216 577 A C 2.449 180.011 177.584 -0.037 0.000 1.190 577 A CA 2.301 54.307 52.037 -0.052 0.000 0.617 577 A CB -0.996 17.991 19.000 -0.021 0.000 0.827 577 A HN 0.586 nan 8.150 nan 0.000 0.443 578 A N -0.612 122.206 122.820 -0.003 0.000 1.865 578 A HA -0.118 4.211 4.320 0.015 0.000 0.217 578 A C 2.487 180.067 177.584 -0.006 0.000 1.191 578 A CA 2.329 54.369 52.037 0.005 0.000 0.623 578 A CB -1.128 17.891 19.000 0.031 0.000 0.826 578 A HN 0.469 nan 8.150 nan 0.000 0.444 579 S N -0.763 114.934 115.700 -0.005 0.000 2.351 579 S HA -0.212 4.267 4.470 0.015 0.000 0.220 579 S C 2.198 176.776 174.600 -0.038 0.000 1.035 579 S CA 1.576 59.767 58.200 -0.016 0.000 1.031 579 S CB -0.541 62.646 63.200 -0.021 0.000 0.928 579 S HN 0.652 nan 8.310 nan 0.000 0.433 580 Q N 0.199 119.954 119.800 -0.075 0.000 2.197 580 Q HA -0.180 4.169 4.340 0.015 0.000 0.211 580 Q C 2.440 178.406 176.000 -0.057 0.000 0.993 580 Q CA 1.393 57.138 55.803 -0.097 0.000 0.883 580 Q CB -0.916 27.701 28.738 -0.201 0.000 0.916 580 Q HN 0.759 nan 8.270 nan 0.000 0.418 581 A N -0.684 122.108 122.820 -0.047 0.000 2.030 581 A HA 0.398 4.727 4.320 0.015 0.000 0.215 581 A C 2.275 179.849 177.584 -0.018 0.000 1.164 581 A CA 1.132 53.150 52.037 -0.031 0.000 0.697 581 A CB -0.539 18.444 19.000 -0.029 0.000 0.827 581 A HN 0.527 nan 8.150 nan 0.000 0.457 582 A N 0.392 123.205 122.820 -0.012 0.000 1.855 582 A HA 0.007 4.336 4.320 0.015 0.000 0.215 582 A C 1.880 179.461 177.584 -0.005 0.000 1.191 582 A CA 1.359 53.394 52.037 -0.004 0.000 0.613 582 A CB -0.715 18.287 19.000 0.003 0.000 0.829 582 A HN 0.443 nan 8.150 nan 0.000 0.442 583 L N -0.095 121.125 121.223 -0.005 0.000 2.633 583 L HA 0.139 4.488 4.340 0.015 0.000 0.235 583 L C 1.478 178.343 176.870 -0.009 0.000 1.163 583 L CA 0.106 54.945 54.840 -0.002 0.000 0.859 583 L CB -1.713 40.351 42.059 0.009 0.000 0.973 583 L HN 0.644 nan 8.230 nan 0.000 0.451 584 G N 0.000 108.793 108.800 -0.012 0.000 5.446 584 G HA2 0.000 3.969 3.960 0.015 0.000 0.244 584 G HA3 0.000 3.969 3.960 0.015 0.000 0.244 584 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925