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 2ncd_1_A DATA FIRST_RESID 303 DATA SEQUENCE LRQRTEELLR CNEQQAAELE TCKEQLFQSN MERKELHNTV MDLRGNIRVF DATA SEQUENCE CRIRPPLESE ENRMCCTWTY HDESTVELQS IDAQAKSKMG QQIFSFDQVF DATA SEQUENCE HPLSSQSDIF EMVSPLIQSA LDGYNICIFA YGQTGSGKTY TMDGVPESVG DATA SEQUENCE VIPRTVDLLF DSIRGYRNLG WEYEIKATFL EIYNEVLYDL LSNEQKDMEI DATA SEQUENCE RMAKNNKNDI YVSNITEETV LDPNHLRHLM HTAKMNRATA STAGNERSSR DATA SEQUENCE SHAVTKLELI GRHAEKQEIS VGSINLVDLA GSESPXXXXX XXXXXNINRS DATA SEQUENCE LSELTNVILA LLQKQDHIPY RNSKLTHLLM PSLGGNSKTL MFINVSPFQD DATA SEQUENCE CFQESVKSLR FAASVNSC 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 303 L HA 0.000 nan 4.340 nan 0.000 0.249 303 L C 0.000 176.870 176.870 -0.000 0.000 1.165 303 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 303 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 304 R N -0.671 119.829 120.500 -0.000 0.000 2.342 304 R HA 0.304 4.644 4.340 -0.000 0.000 0.179 304 R C 0.447 176.747 176.300 -0.000 0.000 0.989 304 R CA 0.188 56.288 56.100 -0.000 0.000 1.125 304 R CB 0.410 30.709 30.300 -0.000 0.000 1.211 304 R HN 0.232 nan 8.270 nan 0.000 0.568 305 Q N 0.722 120.522 119.800 -0.000 0.000 2.399 305 Q HA 0.208 4.548 4.340 -0.000 0.000 0.307 305 Q C 0.749 176.749 176.000 0.000 0.000 0.933 305 Q CA 0.032 55.835 55.803 -0.000 0.000 0.995 305 Q CB 0.673 29.411 28.738 -0.000 0.000 1.191 305 Q HN 0.091 nan 8.270 nan 0.000 0.426 306 R N -2.149 118.351 120.500 0.000 0.000 2.851 306 R HA 0.067 4.407 4.340 -0.000 0.000 0.177 306 R C 0.999 177.299 176.300 0.000 0.000 0.888 306 R CA 0.487 56.588 56.100 0.000 0.000 1.326 306 R CB 0.561 30.862 30.300 0.000 0.000 1.668 306 R HN 0.049 nan 8.270 nan 0.000 0.575 307 T N 0.426 114.980 114.554 0.000 0.000 3.105 307 T HA 0.160 4.509 4.350 -0.000 0.000 0.253 307 T C 0.483 175.183 174.700 0.000 0.000 1.047 307 T CA 0.201 62.302 62.100 0.000 0.000 0.944 307 T CB 0.183 69.051 68.868 0.000 0.000 1.016 307 T HN 0.231 nan 8.240 nan 0.000 0.544 308 E N 0.770 120.970 120.200 0.000 0.000 2.472 308 E HA -0.081 4.269 4.350 -0.000 0.000 0.200 308 E C 1.876 178.476 176.600 0.000 0.000 1.046 308 E CA 0.596 56.996 56.400 0.000 0.000 0.871 308 E CB 0.224 29.924 29.700 0.000 0.000 0.806 308 E HN 0.578 nan 8.360 nan 0.000 0.533 309 E N 0.252 120.453 120.200 0.001 0.000 2.158 309 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 309 E C 1.443 178.044 176.600 0.001 0.000 0.982 309 E CA 0.497 56.897 56.400 0.001 0.000 0.823 309 E CB 0.004 29.705 29.700 0.001 0.000 0.766 309 E HN 0.214 nan 8.360 nan 0.000 0.468 310 L N 1.504 122.728 121.223 0.001 0.000 2.737 310 L HA 0.126 4.465 4.340 -0.000 0.000 0.236 310 L C 0.842 177.712 176.870 0.001 0.000 1.219 310 L CA 0.118 54.959 54.840 0.001 0.000 1.021 310 L CB -0.148 41.911 42.059 0.001 0.000 1.291 310 L HN 0.063 nan 8.230 nan 0.000 0.470 311 L N 0.021 121.245 121.223 0.000 0.000 3.058 311 L HA 0.130 4.470 4.340 -0.000 0.000 0.179 311 L C 2.287 179.157 176.870 -0.000 0.000 1.400 311 L CA 0.720 55.560 54.840 -0.000 0.000 1.241 311 L CB -0.910 41.149 42.059 -0.000 0.000 1.515 311 L HN 0.291 nan 8.230 nan 0.000 0.724 312 R N -0.028 120.472 120.500 -0.000 0.000 2.355 312 R HA -0.162 4.178 4.340 -0.000 0.000 0.219 312 R C 2.159 178.459 176.300 0.000 0.000 1.107 312 R CA 1.107 57.207 56.100 -0.000 0.000 1.021 312 R CB -1.603 28.697 30.300 -0.000 0.000 0.852 312 R HN 0.463 nan 8.270 nan 0.000 0.475 313 C N 1.503 120.803 119.300 0.001 0.000 2.413 313 C HA -0.117 4.343 4.460 -0.000 0.000 0.276 313 C C 2.033 177.024 174.990 0.002 0.000 1.248 313 C CA 1.460 60.479 59.018 0.002 0.000 1.742 313 C CB -1.232 26.509 27.740 0.002 0.000 2.017 313 C HN 0.701 nan 8.230 nan 0.000 0.481 314 N N 0.109 118.810 118.700 0.001 0.000 2.188 314 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 314 N C 1.710 177.221 175.510 0.000 0.000 1.018 314 N CA 1.526 54.576 53.050 0.001 0.000 0.858 314 N CB -0.196 38.291 38.487 0.000 0.000 0.989 314 N HN 0.677 nan 8.380 nan 0.000 0.426 315 E N 0.870 121.070 120.200 -0.000 0.000 2.085 315 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 315 E C 1.849 178.449 176.600 -0.000 0.000 0.994 315 E CA 1.152 57.551 56.400 -0.001 0.000 0.801 315 E CB -0.053 29.646 29.700 -0.001 0.000 0.743 315 E HN 0.500 nan 8.360 nan 0.000 0.453 316 Q N 0.371 120.172 119.800 0.001 0.000 2.137 316 Q HA -0.089 4.250 4.340 -0.000 0.000 0.198 316 Q C 2.198 178.200 176.000 0.003 0.000 0.960 316 Q CA 0.732 56.536 55.803 0.002 0.000 0.847 316 Q CB 0.032 28.771 28.738 0.002 0.000 0.915 316 Q HN 0.229 nan 8.270 nan 0.000 0.448 317 Q N 0.609 120.411 119.800 0.003 0.000 1.967 317 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 317 Q C 2.303 178.306 176.000 0.004 0.000 0.985 317 Q CA 1.554 57.360 55.803 0.004 0.000 0.839 317 Q CB -0.325 28.415 28.738 0.004 0.000 0.906 317 Q HN 0.436 nan 8.270 nan 0.000 0.423 318 A N 0.979 123.800 122.820 0.002 0.000 1.978 318 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 318 A C 2.199 179.783 177.584 0.001 0.000 1.170 318 A CA 1.757 53.795 52.037 0.001 0.000 0.636 318 A CB -0.596 18.403 19.000 -0.001 0.000 0.810 318 A HN 0.426 nan 8.150 nan 0.000 0.448 319 A N -1.163 121.657 122.820 0.001 0.000 2.119 319 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 319 A C 1.925 179.510 177.584 0.003 0.000 1.153 319 A CA 1.449 53.486 52.037 -0.000 0.000 0.692 319 A CB -0.263 18.737 19.000 -0.000 0.000 0.799 319 A HN 0.623 nan 8.150 nan 0.000 0.458 320 E N -0.845 119.358 120.200 0.005 0.000 2.364 320 E HA 0.119 4.469 4.350 -0.000 0.000 0.196 320 E C 1.767 178.375 176.600 0.012 0.000 0.990 320 E CA -0.086 56.320 56.400 0.009 0.000 0.886 320 E CB 0.044 29.749 29.700 0.009 0.000 0.866 320 E HN 0.615 nan 8.360 nan 0.000 0.493 321 L N 1.138 122.367 121.223 0.011 0.000 2.044 321 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 321 L C 2.117 178.998 176.870 0.017 0.000 1.075 321 L CA 1.090 55.939 54.840 0.015 0.000 0.747 321 L CB -0.032 42.035 42.059 0.013 0.000 0.903 321 L HN 0.048 nan 8.230 nan 0.000 0.435 322 E N -0.259 119.946 120.200 0.009 0.000 2.160 322 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 322 E C 1.983 178.589 176.600 0.009 0.000 0.991 322 E CA 1.689 58.092 56.400 0.004 0.000 0.810 322 E CB -0.651 29.045 29.700 -0.007 0.000 0.742 322 E HN 0.511 nan 8.360 nan 0.000 0.466 323 T N 0.843 115.404 114.554 0.012 0.000 2.595 323 T HA -0.214 4.136 4.350 -0.000 0.000 0.264 323 T C 2.089 176.807 174.700 0.030 0.000 1.058 323 T CA 1.540 63.650 62.100 0.016 0.000 1.166 323 T CB -0.934 67.944 68.868 0.015 0.000 0.863 323 T HN 0.334 nan 8.240 nan 0.000 0.415 324 C N 1.897 121.217 119.300 0.033 0.000 2.376 324 C HA -0.160 4.300 4.460 -0.000 0.000 0.275 324 C C 2.712 177.741 174.990 0.065 0.000 1.200 324 C CA 1.209 60.254 59.018 0.045 0.000 1.756 324 C CB -1.079 26.685 27.740 0.040 0.000 2.050 324 C HN 0.549 nan 8.230 nan 0.000 0.460 325 K N -0.044 120.394 120.400 0.063 0.000 2.000 325 K HA -0.246 4.074 4.320 -0.000 0.000 0.218 325 K C 1.992 178.661 176.600 0.114 0.000 1.053 325 K CA 2.334 58.675 56.287 0.089 0.000 0.946 325 K CB -0.488 32.049 32.500 0.061 0.000 0.723 325 K HN 0.480 nan 8.250 nan 0.000 0.446 326 E N 0.810 121.046 120.200 0.060 0.000 2.209 326 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 326 E C 2.031 178.697 176.600 0.111 0.000 0.993 326 E CA 1.293 57.721 56.400 0.048 0.000 0.819 326 E CB 0.052 29.747 29.700 -0.009 0.000 0.745 326 E HN 0.181 nan 8.360 nan 0.000 0.477 327 Q N -0.384 119.473 119.800 0.094 0.000 2.079 327 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 327 Q C 2.251 178.325 176.000 0.123 0.000 0.974 327 Q CA 1.072 56.931 55.803 0.093 0.000 0.840 327 Q CB -0.461 28.316 28.738 0.065 0.000 0.898 327 Q HN 0.371 nan 8.270 nan 0.000 0.430 328 L N -0.089 121.218 121.223 0.139 0.000 2.093 328 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 328 L C 2.103 179.097 176.870 0.205 0.000 1.085 328 L CA 1.471 56.399 54.840 0.147 0.000 0.755 328 L CB -0.695 41.450 42.059 0.143 0.000 0.904 328 L HN 0.099 nan 8.230 nan 0.000 0.435 329 F N 0.047 120.054 119.950 0.095 0.000 2.146 329 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 329 F C 2.430 178.287 175.800 0.095 0.000 1.096 329 F CA 1.678 59.746 58.000 0.114 0.000 1.275 329 F CB -0.200 38.830 39.000 0.050 0.000 1.008 329 F HN 0.160 nan 8.300 nan 0.000 0.480 330 Q N -0.242 119.777 119.800 0.364 0.000 2.224 330 Q HA -0.130 4.209 4.340 -0.000 0.000 0.203 330 Q C 2.540 178.610 176.000 0.115 0.000 0.970 330 Q CA 1.490 57.434 55.803 0.235 0.000 0.865 330 Q CB -0.572 28.271 28.738 0.175 0.000 0.922 330 Q HN 0.371 nan 8.270 nan 0.000 0.445 331 S N -0.020 115.738 115.700 0.098 0.000 2.345 331 S HA -0.172 4.298 4.470 -0.000 0.000 0.220 331 S C 1.730 176.344 174.600 0.024 0.000 1.031 331 S CA 1.354 59.588 58.200 0.056 0.000 0.996 331 S CB -0.350 62.883 63.200 0.054 0.000 0.882 331 S HN 0.505 nan 8.310 nan 0.000 0.445 332 N N 0.881 119.584 118.700 0.004 0.000 2.060 332 N HA -0.117 4.623 4.740 -0.000 0.000 0.195 332 N C 1.837 177.316 175.510 -0.053 0.000 1.028 332 N CA 1.884 54.911 53.050 -0.040 0.000 0.861 332 N CB -0.300 38.150 38.487 -0.061 0.000 1.029 332 N HN 0.382 nan 8.380 nan 0.000 0.428 333 M N 0.196 119.752 119.600 -0.073 0.000 2.073 333 M HA -0.215 4.264 4.480 -0.000 0.000 0.258 333 M C 2.132 178.442 176.300 0.018 0.000 1.070 333 M CA 1.736 57.018 55.300 -0.031 0.000 1.103 333 M CB -0.378 32.240 32.600 0.030 0.000 1.321 333 M HN 0.350 nan 8.290 nan 0.000 0.405 334 E N -0.361 119.857 120.200 0.031 0.000 2.150 334 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 334 E C 2.127 178.748 176.600 0.034 0.000 0.985 334 E CA 0.775 57.198 56.400 0.038 0.000 0.814 334 E CB 0.000 29.724 29.700 0.039 0.000 0.752 334 E HN 0.324 nan 8.360 nan 0.000 0.466 335 R N 1.393 121.906 120.500 0.022 0.000 2.073 335 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 335 R C 2.332 178.658 176.300 0.043 0.000 1.134 335 R CA 1.839 57.952 56.100 0.022 0.000 0.952 335 R CB -0.279 30.017 30.300 -0.007 0.000 0.850 335 R HN 0.014 nan 8.270 nan 0.000 0.433 336 K N 0.698 121.115 120.400 0.028 0.000 2.044 336 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 336 K C 1.948 178.620 176.600 0.120 0.000 1.049 336 K CA 2.008 58.330 56.287 0.058 0.000 0.927 336 K CB -0.193 32.326 32.500 0.031 0.000 0.713 336 K HN 0.243 nan 8.250 nan 0.000 0.443 337 E N 0.268 120.523 120.200 0.092 0.000 2.150 337 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 337 E C 2.068 178.712 176.600 0.072 0.000 0.985 337 E CA 0.791 57.247 56.400 0.093 0.000 0.814 337 E CB 0.055 29.798 29.700 0.071 0.000 0.752 337 E HN 0.369 nan 8.360 nan 0.000 0.466 338 L N -0.560 120.703 121.223 0.068 0.000 2.131 338 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 338 L C 2.467 179.364 176.870 0.045 0.000 1.087 338 L CA 1.124 55.992 54.840 0.046 0.000 0.767 338 L CB -0.299 41.784 42.059 0.041 0.000 0.917 338 L HN 0.228 nan 8.230 nan 0.000 0.441 339 H N -0.186 118.871 119.070 -0.022 0.000 2.353 339 H HA -0.209 4.346 4.556 -0.000 0.000 0.300 339 H C 2.079 177.360 175.328 -0.078 0.000 1.090 339 H CA 2.177 58.199 56.048 -0.043 0.000 1.327 339 H CB 0.126 29.866 29.762 -0.036 0.000 1.383 339 H HN 0.208 nan 8.280 nan 0.000 0.508 340 N N -1.057 117.643 118.700 -0.001 0.000 2.244 340 N HA -0.103 4.637 4.740 -0.000 0.000 0.183 340 N C 1.580 177.007 175.510 -0.138 0.000 1.016 340 N CA 1.623 54.586 53.050 -0.145 0.000 0.866 340 N CB -0.122 38.314 38.487 -0.085 0.000 0.980 340 N HN 0.333 nan 8.380 nan 0.000 0.430 341 T N -0.798 113.713 114.554 -0.071 0.000 2.904 341 T HA -0.028 4.322 4.350 -0.000 0.000 0.267 341 T C 1.862 176.506 174.700 -0.092 0.000 1.059 341 T CA 0.826 62.890 62.100 -0.061 0.000 1.137 341 T CB -0.144 68.709 68.868 -0.025 0.000 0.879 341 T HN 0.002 nan 8.240 nan 0.000 0.467 342 V N 1.669 121.506 119.914 -0.128 0.000 2.307 342 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 342 V C 2.583 178.570 176.094 -0.178 0.000 1.045 342 V CA 1.247 63.459 62.300 -0.146 0.000 1.024 342 V CB -0.505 31.212 31.823 -0.176 0.000 0.651 342 V HN 0.407 nan 8.190 nan 0.000 0.449 343 M N -0.271 119.170 119.600 -0.265 0.000 2.080 343 M HA -0.184 4.296 4.480 -0.000 0.000 0.260 343 M C 2.019 178.227 176.300 -0.155 0.000 1.068 343 M CA 1.772 56.928 55.300 -0.240 0.000 1.109 343 M CB -1.487 30.926 32.600 -0.313 0.000 1.342 343 M HN 0.315 nan 8.290 nan 0.000 0.405 344 D N 0.384 120.698 120.400 -0.143 0.000 2.123 344 D HA -0.095 4.545 4.640 -0.000 0.000 0.196 344 D C 2.255 178.511 176.300 -0.074 0.000 0.992 344 D CA 1.003 54.946 54.000 -0.096 0.000 0.833 344 D CB -0.215 40.540 40.800 -0.075 0.000 0.954 344 D HN 0.303 nan 8.370 nan 0.000 0.455 345 L N 0.073 121.251 121.223 -0.074 0.000 2.093 345 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 345 L C 2.469 179.305 176.870 -0.057 0.000 1.085 345 L CA 0.835 55.641 54.840 -0.058 0.000 0.755 345 L CB -0.113 41.914 42.059 -0.053 0.000 0.904 345 L HN -0.036 nan 8.230 nan 0.000 0.435 346 R N -0.716 119.745 120.500 -0.066 0.000 2.148 346 R HA 0.010 4.350 4.340 -0.000 0.000 0.223 346 R C 1.288 177.555 176.300 -0.054 0.000 1.088 346 R CA 0.953 57.022 56.100 -0.051 0.000 0.985 346 R CB 0.177 30.450 30.300 -0.045 0.000 0.880 346 R HN 0.524 nan 8.270 nan 0.000 0.451 347 G N -1.355 107.406 108.800 -0.065 0.000 2.684 347 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.107 347 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.107 347 G C 0.046 174.907 174.900 -0.065 0.000 1.201 347 G CA 0.213 45.270 45.100 -0.071 0.000 1.113 347 G HN 0.177 nan 8.290 nan 0.000 0.356 348 N N -1.395 117.269 118.700 -0.059 0.000 2.567 348 N HA -0.126 4.614 4.740 -0.000 0.000 0.166 348 N C -0.262 175.235 175.510 -0.021 0.000 1.657 348 N CA 1.337 54.362 53.050 -0.043 0.000 3.123 348 N CB -0.805 37.661 38.487 -0.036 0.000 1.426 348 N HN 0.506 nan 8.380 nan 0.000 1.056 349 I N 1.586 122.130 120.570 -0.043 0.000 2.521 349 I HA 0.356 4.526 4.170 -0.000 0.000 0.277 349 I C -0.413 175.631 176.117 -0.122 0.000 1.054 349 I CA -0.371 60.902 61.300 -0.046 0.000 1.117 349 I CB 1.458 39.434 38.000 -0.040 0.000 1.217 349 I HN 0.037 nan 8.210 nan 0.000 0.469 350 R N 3.685 124.085 120.500 -0.167 0.000 2.828 350 R HA 0.839 5.178 4.340 -0.000 0.000 0.264 350 R C -1.179 174.830 176.300 -0.484 0.000 1.022 350 R CA -0.762 55.125 56.100 -0.356 0.000 1.021 350 R CB 2.663 32.705 30.300 -0.429 0.000 1.163 350 R HN 0.219 nan 8.270 nan 0.000 0.494 351 V N 2.644 122.166 119.914 -0.653 0.000 2.525 351 V HA 0.472 4.592 4.120 -0.000 0.000 0.299 351 V C -1.231 174.504 176.094 -0.598 0.000 1.034 351 V CA -0.686 61.317 62.300 -0.496 0.000 0.863 351 V CB 1.350 33.007 31.823 -0.278 0.000 0.999 351 V HN 0.504 nan 8.190 nan 0.000 0.423 352 F N 2.720 122.598 119.950 -0.121 0.000 2.523 352 F HA 0.716 5.243 4.527 -0.000 0.000 0.329 352 F C 0.293 175.978 175.800 -0.192 0.000 1.061 352 F CA -0.776 57.155 58.000 -0.116 0.000 0.967 352 F CB 1.563 40.460 39.000 -0.171 0.000 1.218 352 F HN 0.539 nan 8.300 nan 0.000 0.480 353 C N 3.135 122.320 119.300 -0.192 0.000 2.417 353 C HA 0.782 5.242 4.460 -0.000 0.000 0.324 353 C C -0.550 174.452 174.990 0.021 0.000 1.240 353 C CA -0.564 58.171 59.018 -0.471 0.000 1.632 353 C CB 0.710 27.534 27.740 -1.526 0.000 2.241 353 C HN 0.930 nan 8.230 nan 0.000 0.499 354 R N 4.941 125.485 120.500 0.072 0.000 2.502 354 R HA 0.669 5.009 4.340 -0.000 0.000 0.300 354 R C -1.724 174.563 176.300 -0.022 0.000 0.984 354 R CA -0.540 55.637 56.100 0.127 0.000 0.882 354 R CB 0.973 31.383 30.300 0.182 0.000 1.180 354 R HN 0.755 nan 8.270 nan 0.000 0.444 355 I N 5.227 125.730 120.570 -0.111 0.000 2.321 355 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 355 I C 0.350 176.305 176.117 -0.271 0.000 0.998 355 I CA -0.477 60.643 61.300 -0.301 0.000 1.227 355 I CB 1.402 39.068 38.000 -0.556 0.000 1.368 355 I HN 0.499 nan 8.210 nan 0.000 0.466 356 R N 7.461 127.804 120.500 -0.262 0.000 2.528 356 R HA 0.646 4.986 4.340 -0.000 0.000 0.271 356 R C -2.618 173.504 176.300 -0.298 0.000 1.056 356 R CA -1.626 54.328 56.100 -0.243 0.000 1.117 356 R CB -0.110 30.056 30.300 -0.223 0.000 1.085 356 R HN 0.260 nan 8.270 nan 0.000 0.530 357 P HA 0.278 nan 4.420 nan 0.000 0.278 357 P C -2.614 174.594 177.300 -0.153 0.000 1.258 357 P CA -2.002 60.980 63.100 -0.197 0.000 0.811 357 P CB 0.317 31.942 31.700 -0.124 0.000 1.063 358 P HA 0.279 nan 4.420 nan 0.000 0.279 358 P C 0.084 177.438 177.300 0.089 0.000 1.239 358 P CA -0.186 62.987 63.100 0.122 0.000 0.789 358 P CB 0.422 32.269 31.700 0.244 0.000 0.933 359 L N 1.493 122.784 121.223 0.113 0.000 2.468 359 L HA 0.049 4.389 4.340 -0.000 0.000 0.253 359 L C 2.186 179.082 176.870 0.044 0.000 1.237 359 L CA 0.146 55.010 54.840 0.040 0.000 0.823 359 L CB 0.021 42.097 42.059 0.028 0.000 1.124 359 L HN 0.456 nan 8.230 nan 0.000 0.504 360 E N 0.179 120.391 120.200 0.021 0.000 2.072 360 E HA -0.181 4.168 4.350 -0.000 0.000 0.191 360 E C 1.686 178.297 176.600 0.017 0.000 0.985 360 E CA 1.413 57.825 56.400 0.020 0.000 0.801 360 E CB 0.044 29.751 29.700 0.012 0.000 0.750 360 E HN 0.653 nan 8.360 nan 0.000 0.452 361 S N -0.533 115.172 115.700 0.008 0.000 2.727 361 S HA 0.014 4.484 4.470 -0.000 0.000 0.226 361 S C 0.637 175.226 174.600 -0.019 0.000 0.963 361 S CA 0.410 58.607 58.200 -0.005 0.000 0.950 361 S CB -0.124 63.069 63.200 -0.011 0.000 0.779 361 S HN 0.338 nan 8.310 nan 0.000 0.532 362 E N 0.174 120.374 120.200 -0.001 0.000 2.714 362 E HA 0.149 4.499 4.350 -0.000 0.000 0.219 362 E C 1.099 177.714 176.600 0.026 0.000 0.979 362 E CA -0.259 56.122 56.400 -0.032 0.000 1.092 362 E CB 0.137 29.826 29.700 -0.018 0.000 1.049 362 E HN 0.473 nan 8.360 nan 0.000 0.487 363 E N 1.648 121.870 120.200 0.036 0.000 2.147 363 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 363 E C 0.669 177.299 176.600 0.050 0.000 1.005 363 E CA 1.179 57.610 56.400 0.052 0.000 0.810 363 E CB -0.013 29.707 29.700 0.034 0.000 0.736 363 E HN 0.331 nan 8.360 nan 0.000 0.460 364 N N -0.185 118.525 118.700 0.017 0.000 2.268 364 N HA 0.030 4.770 4.740 -0.000 0.000 0.204 364 N C -0.021 175.485 175.510 -0.007 0.000 1.124 364 N CA -0.273 52.783 53.050 0.011 0.000 0.838 364 N CB 0.424 38.910 38.487 -0.002 0.000 0.994 364 N HN -0.071 nan 8.380 nan 0.000 0.489 365 R N 1.691 122.172 120.500 -0.033 0.000 2.196 365 R HA 0.201 4.541 4.340 -0.000 0.000 0.340 365 R C -0.108 176.252 176.300 0.101 0.000 1.043 365 R CA -0.457 55.570 56.100 -0.121 0.000 0.883 365 R CB 0.407 30.377 30.300 -0.549 0.000 1.078 365 R HN 0.007 nan 8.270 nan 0.000 0.462 366 M N 3.807 123.477 119.600 0.117 0.000 2.260 366 M HA 0.007 4.487 4.480 -0.000 0.000 0.348 366 M C -0.442 176.070 176.300 0.353 0.000 1.342 366 M CA 0.355 55.773 55.300 0.196 0.000 1.040 366 M CB 0.245 32.918 32.600 0.122 0.000 1.810 366 M HN 0.701 nan 8.290 nan 0.000 0.453 367 C N 3.492 122.989 119.300 0.328 0.000 2.391 367 C HA 0.601 5.061 4.460 -0.000 0.000 0.339 367 C C 0.682 175.830 174.990 0.262 0.000 1.205 367 C CA -1.248 57.975 59.018 0.342 0.000 1.937 367 C CB 0.811 28.717 27.740 0.276 0.000 2.341 367 C HN 1.009 nan 8.230 nan 0.000 0.516 368 C N 0.709 120.169 119.300 0.266 0.000 2.560 368 C HA 0.662 5.122 4.460 -0.000 0.000 0.334 368 C C 0.937 175.926 174.990 -0.001 0.000 1.404 368 C CA -0.431 58.635 59.018 0.079 0.000 2.410 368 C CB -0.428 27.327 27.740 0.024 0.000 2.268 368 C HN 0.915 nan 8.230 nan 0.000 0.673 369 T N -0.572 113.906 114.554 -0.126 0.000 2.817 369 T HA 0.435 4.784 4.350 -0.000 0.000 0.293 369 T C -1.217 173.304 174.700 -0.298 0.000 0.964 369 T CA -0.131 61.920 62.100 -0.081 0.000 1.085 369 T CB -0.012 68.833 68.868 -0.038 0.000 0.921 369 T HN 0.704 nan 8.240 nan 0.000 0.502 370 W N 2.596 123.877 121.300 -0.031 0.000 2.573 370 W HA 0.542 5.202 4.660 -0.000 0.000 0.326 370 W C -0.142 176.209 176.519 -0.281 0.000 1.049 370 W CA -0.685 56.553 57.345 -0.177 0.000 1.220 370 W CB 2.149 31.508 29.460 -0.169 0.000 1.373 370 W HN 0.568 nan 8.180 nan 0.000 0.507 371 T N 2.830 117.234 114.554 -0.250 0.000 2.841 371 T HA 0.340 4.689 4.350 -0.000 0.000 0.285 371 T C -1.450 172.909 174.700 -0.568 0.000 0.991 371 T CA -0.641 61.264 62.100 -0.325 0.000 0.966 371 T CB 0.512 69.204 68.868 -0.293 0.000 0.962 371 T HN 0.065 nan 8.240 nan 0.000 0.438 372 Y N 2.972 123.240 120.300 -0.053 0.000 2.417 372 Y HA 0.297 4.847 4.550 -0.000 0.000 0.336 372 Y C 0.856 176.717 175.900 -0.065 0.000 0.961 372 Y CA -0.942 57.169 58.100 0.018 0.000 1.215 372 Y CB 0.449 38.986 38.460 0.128 0.000 1.120 372 Y HN 0.573 nan 8.280 nan 0.000 0.499 373 H N 3.916 123.092 119.070 0.176 0.000 2.782 373 H HA 0.103 4.659 4.556 -0.000 0.000 0.285 373 H C 0.312 175.715 175.328 0.125 0.000 1.093 373 H CA -0.009 56.111 56.048 0.121 0.000 1.410 373 H CB 0.737 30.543 29.762 0.074 0.000 1.439 373 H HN 0.819 nan 8.280 nan 0.000 0.469 374 D N 1.721 122.240 120.400 0.199 0.000 3.245 374 D HA -0.236 4.404 4.640 -0.000 0.000 0.196 374 D C 1.008 177.385 176.300 0.128 0.000 1.370 374 D CA 1.180 55.261 54.000 0.135 0.000 1.087 374 D CB 0.094 40.961 40.800 0.112 0.000 0.612 374 D HN 0.579 nan 8.370 nan 0.000 0.704 375 E N -1.217 119.037 120.200 0.089 0.000 2.460 375 E HA 0.118 4.468 4.350 -0.000 0.000 0.200 375 E C 1.128 177.771 176.600 0.070 0.000 1.011 375 E CA 0.999 57.430 56.400 0.052 0.000 0.912 375 E CB 0.186 29.888 29.700 0.003 0.000 0.953 375 E HN 0.366 nan 8.360 nan 0.000 0.494 376 S N -0.932 114.842 115.700 0.124 0.000 2.900 376 S HA 0.253 4.723 4.470 -0.000 0.000 0.253 376 S C 0.398 175.155 174.600 0.261 0.000 1.029 376 S CA -0.518 57.787 58.200 0.174 0.000 1.096 376 S CB 0.708 63.981 63.200 0.121 0.000 1.067 376 S HN -0.156 nan 8.310 nan 0.000 0.610 377 T N 1.836 116.553 114.554 0.271 0.000 2.879 377 T HA 0.661 5.011 4.350 -0.000 0.000 0.290 377 T C -1.307 173.618 174.700 0.374 0.000 0.993 377 T CA -0.464 61.815 62.100 0.299 0.000 0.975 377 T CB 1.991 70.972 68.868 0.189 0.000 0.981 377 T HN 0.219 nan 8.240 nan 0.000 0.439 378 V N 2.837 123.004 119.914 0.423 0.000 2.914 378 V HA 0.781 4.900 4.120 -0.000 0.000 0.314 378 V C -1.128 175.166 176.094 0.333 0.000 1.084 378 V CA -0.603 61.898 62.300 0.335 0.000 0.963 378 V CB 2.047 34.101 31.823 0.385 0.000 1.025 378 V HN 0.926 nan 8.190 nan 0.000 0.432 379 E N 4.012 124.307 120.200 0.159 0.000 2.317 379 E HA 0.686 5.036 4.350 -0.000 0.000 0.270 379 E C -1.797 174.731 176.600 -0.120 0.000 0.885 379 E CA -0.835 55.614 56.400 0.081 0.000 0.760 379 E CB 2.273 32.039 29.700 0.110 0.000 1.227 379 E HN 0.804 nan 8.360 nan 0.000 0.434 380 L N 0.519 121.609 121.223 -0.222 0.000 2.422 380 L HA 0.602 4.942 4.340 -0.000 0.000 0.264 380 L C -1.655 175.111 176.870 -0.174 0.000 0.984 380 L CA -0.675 53.824 54.840 -0.569 0.000 0.819 380 L CB 2.022 43.384 42.059 -1.162 0.000 1.330 380 L HN 0.462 nan 8.230 nan 0.000 0.410 381 Q N 2.180 121.896 119.800 -0.140 0.000 2.304 381 Q HA 0.433 4.773 4.340 -0.000 0.000 0.270 381 Q C -0.700 175.274 176.000 -0.043 0.000 1.035 381 Q CA -0.725 55.086 55.803 0.013 0.000 0.781 381 Q CB 2.112 30.819 28.738 -0.051 0.000 1.261 381 Q HN 0.737 nan 8.270 nan 0.000 0.444 382 S N 1.840 117.376 115.700 -0.273 0.000 2.558 382 S HA 0.044 4.514 4.470 -0.000 0.000 0.291 382 S C 1.181 175.619 174.600 -0.270 0.000 1.306 382 S CA -0.286 57.541 58.200 -0.621 0.000 1.056 382 S CB 0.219 62.766 63.200 -1.088 0.000 0.836 382 S HN 0.705 nan 8.310 nan 0.000 0.504 383 I N 0.682 121.145 120.570 -0.178 0.000 3.428 383 I HA 0.190 4.360 4.170 -0.000 0.000 0.286 383 I C 0.627 176.683 176.117 -0.102 0.000 1.287 383 I CA 0.092 61.336 61.300 -0.094 0.000 1.396 383 I CB -0.238 37.744 38.000 -0.030 0.000 1.062 383 I HN 0.410 nan 8.210 nan 0.000 0.471 384 D N 2.841 123.149 120.400 -0.153 0.000 2.383 384 D HA 0.203 4.842 4.640 -0.000 0.000 0.245 384 D C 1.398 177.627 176.300 -0.119 0.000 1.263 384 D CA 0.360 54.285 54.000 -0.125 0.000 0.936 384 D CB 1.645 42.355 40.800 -0.150 0.000 1.053 384 D HN 0.307 nan 8.370 nan 0.000 0.507 385 A N 4.143 126.916 122.820 -0.079 0.000 1.986 385 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 385 A C 1.964 179.510 177.584 -0.063 0.000 1.171 385 A CA 1.474 53.472 52.037 -0.065 0.000 0.640 385 A CB -0.316 18.658 19.000 -0.043 0.000 0.811 385 A HN 0.561 nan 8.150 nan 0.000 0.451 386 Q N -0.371 119.393 119.800 -0.061 0.000 1.990 386 Q HA -0.008 4.332 4.340 -0.000 0.000 0.200 386 Q C 2.301 178.263 176.000 -0.062 0.000 0.980 386 Q CA 2.254 58.026 55.803 -0.051 0.000 0.832 386 Q CB -0.756 27.955 28.738 -0.044 0.000 0.897 386 Q HN 0.565 nan 8.270 nan 0.000 0.427 387 A N 0.497 123.264 122.820 -0.089 0.000 1.877 387 A HA -0.231 4.088 4.320 -0.000 0.000 0.216 387 A C 2.062 179.582 177.584 -0.107 0.000 1.186 387 A CA 2.004 53.978 52.037 -0.105 0.000 0.620 387 A CB -0.689 18.212 19.000 -0.166 0.000 0.822 387 A HN 0.413 nan 8.150 nan 0.000 0.443 388 K N 0.675 120.993 120.400 -0.137 0.000 2.089 388 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 388 K C 1.667 178.232 176.600 -0.058 0.000 1.048 388 K CA 2.024 58.246 56.287 -0.109 0.000 0.926 388 K CB -0.296 32.140 32.500 -0.108 0.000 0.714 388 K HN 0.541 nan 8.250 nan 0.000 0.448 389 S N -0.567 115.103 115.700 -0.050 0.000 2.840 389 S HA 0.131 4.601 4.470 -0.000 0.000 0.235 389 S C 0.362 174.946 174.600 -0.026 0.000 0.968 389 S CA -0.232 57.948 58.200 -0.033 0.000 1.026 389 S CB 0.128 63.310 63.200 -0.030 0.000 0.788 389 S HN 0.288 nan 8.310 nan 0.000 0.487 390 K N 0.435 120.820 120.400 -0.025 0.000 2.582 390 K HA 0.256 4.576 4.320 -0.000 0.000 0.204 390 K C 0.764 177.364 176.600 -0.001 0.000 1.221 390 K CA 0.343 56.622 56.287 -0.014 0.000 1.048 390 K CB 0.484 32.975 32.500 -0.016 0.000 1.011 390 K HN 0.654 nan 8.250 nan 0.000 0.597 391 M N -1.858 117.744 119.600 0.004 0.000 2.279 391 M HA 0.320 4.800 4.480 -0.000 0.000 0.278 391 M C 0.728 177.039 176.300 0.018 0.000 1.142 391 M CA 0.249 55.566 55.300 0.029 0.000 1.119 391 M CB 0.938 33.582 32.600 0.073 0.000 1.741 391 M HN -0.019 nan 8.290 nan 0.000 0.601 392 G N 2.248 111.050 108.800 0.003 0.000 2.785 392 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.685 392 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.685 392 G C -0.853 174.036 174.900 -0.019 0.000 1.480 392 G CA -0.470 44.621 45.100 -0.014 0.000 0.915 392 G HN 0.670 nan 8.290 nan 0.000 0.576 393 Q N 0.043 119.815 119.800 -0.046 0.000 3.002 393 Q HA -0.077 4.263 4.340 -0.000 0.000 0.384 393 Q C 0.055 175.972 176.000 -0.139 0.000 1.084 393 Q CA 1.052 56.807 55.803 -0.080 0.000 1.189 393 Q CB 0.144 28.819 28.738 -0.104 0.000 1.072 393 Q HN 0.457 nan 8.270 nan 0.000 0.443 394 Q N 3.523 123.235 119.800 -0.146 0.000 2.571 394 Q HA 0.410 4.750 4.340 -0.000 0.000 0.243 394 Q C -0.619 175.094 176.000 -0.480 0.000 1.055 394 Q CA -0.155 55.481 55.803 -0.279 0.000 0.815 394 Q CB 0.589 29.336 28.738 0.015 0.000 1.151 394 Q HN 0.580 nan 8.270 nan 0.000 0.519 395 I N 1.362 121.449 120.570 -0.805 0.000 2.498 395 I HA 0.633 4.803 4.170 -0.000 0.000 0.290 395 I C -1.667 173.927 176.117 -0.871 0.000 1.032 395 I CA -0.842 60.117 61.300 -0.568 0.000 1.073 395 I CB 1.065 38.899 38.000 -0.277 0.000 1.251 395 I HN 0.148 nan 8.210 nan 0.000 0.426 396 F N 3.982 123.928 119.950 -0.008 0.000 2.599 396 F HA 0.630 5.157 4.527 0.000 0.000 0.311 396 F C -0.138 175.542 175.800 -0.200 0.000 1.076 396 F CA -0.742 57.165 58.000 -0.155 0.000 0.937 396 F CB 2.152 41.037 39.000 -0.192 0.000 1.282 396 F HN 0.231 nan 8.300 nan 0.000 0.460 397 S N 1.053 116.591 115.700 -0.270 0.000 2.536 397 S HA 0.857 5.327 4.470 -0.000 0.000 0.298 397 S C -1.383 172.865 174.600 -0.587 0.000 1.083 397 S CA -0.599 57.468 58.200 -0.221 0.000 0.995 397 S CB 1.455 64.586 63.200 -0.114 0.000 1.058 397 S HN 0.400 nan 8.310 nan 0.000 0.488 398 F N 0.015 119.965 119.950 0.001 0.000 2.675 398 F HA 0.430 4.957 4.527 -0.000 0.000 0.324 398 F C 1.280 177.021 175.800 -0.098 0.000 1.106 398 F CA -1.103 56.850 58.000 -0.078 0.000 0.970 398 F CB 0.610 39.581 39.000 -0.048 0.000 1.385 398 F HN 0.446 nan 8.300 nan 0.000 0.489 399 D N -0.420 119.969 120.400 -0.018 0.000 2.178 399 D HA -0.134 4.505 4.640 -0.000 0.000 0.201 399 D C 0.202 176.589 176.300 0.146 0.000 0.980 399 D CA 1.714 55.675 54.000 -0.065 0.000 0.842 399 D CB 0.398 40.983 40.800 -0.359 0.000 0.948 399 D HN 0.414 nan 8.370 nan 0.000 0.472 400 Q N -0.413 119.556 119.800 0.282 0.000 2.386 400 Q HA 0.306 4.646 4.340 -0.000 0.000 0.274 400 Q C -2.008 174.017 176.000 0.041 0.000 1.011 400 Q CA -0.397 55.518 55.803 0.187 0.000 0.867 400 Q CB 2.434 31.236 28.738 0.107 0.000 1.409 400 Q HN -0.226 nan 8.270 nan 0.000 0.395 401 V N 4.220 124.063 119.914 -0.119 0.000 2.398 401 V HA 0.518 4.637 4.120 -0.000 0.000 0.286 401 V C -0.970 174.966 176.094 -0.264 0.000 1.026 401 V CA -0.360 61.883 62.300 -0.095 0.000 0.868 401 V CB 0.974 32.877 31.823 0.134 0.000 0.982 401 V HN 0.664 nan 8.190 nan 0.000 0.443 402 F N 4.241 124.226 119.950 0.058 0.000 2.361 402 F HA 0.379 4.906 4.527 0.000 0.000 0.364 402 F C 0.725 176.525 175.800 -0.001 0.000 1.120 402 F CA -0.383 57.642 58.000 0.042 0.000 1.102 402 F CB 0.478 39.511 39.000 0.055 0.000 1.183 402 F HN 0.514 nan 8.300 nan 0.000 0.476 403 H N 6.143 125.186 119.070 -0.046 0.000 2.871 403 H HA 0.050 4.606 4.556 -0.000 0.000 0.355 403 H C -1.575 173.645 175.328 -0.181 0.000 1.092 403 H CA -1.252 54.614 56.048 -0.302 0.000 1.420 403 H CB 1.598 31.104 29.762 -0.426 0.000 1.400 403 H HN 0.327 nan 8.280 nan 0.000 0.604 404 P HA -0.162 nan 4.420 nan 0.000 0.222 404 P C 1.209 178.514 177.300 0.008 0.000 1.142 404 P CA 0.740 63.721 63.100 -0.198 0.000 0.788 404 P CB 0.345 31.828 31.700 -0.362 0.000 0.767 405 L N -0.576 120.797 121.223 0.251 0.000 2.592 405 L HA 0.124 4.464 4.340 -0.000 0.000 0.227 405 L C 1.381 178.290 176.870 0.065 0.000 1.127 405 L CA 0.145 55.056 54.840 0.118 0.000 0.884 405 L CB -1.101 40.990 42.059 0.053 0.000 1.065 405 L HN -0.055 nan 8.230 nan 0.000 0.457 406 S N -0.873 114.890 115.700 0.105 0.000 2.576 406 S HA 0.257 4.727 4.470 -0.000 0.000 0.272 406 S C 0.586 175.227 174.600 0.068 0.000 1.352 406 S CA -0.084 58.182 58.200 0.110 0.000 1.021 406 S CB 0.779 64.128 63.200 0.248 0.000 0.887 406 S HN 0.358 nan 8.310 nan 0.000 0.542 407 S N 1.717 117.447 115.700 0.050 0.000 2.713 407 S HA 0.353 4.823 4.470 -0.000 0.000 0.283 407 S C 0.893 175.480 174.600 -0.021 0.000 1.161 407 S CA -0.827 57.387 58.200 0.024 0.000 0.999 407 S CB 1.052 64.262 63.200 0.018 0.000 1.039 407 S HN 0.770 nan 8.310 nan 0.000 0.548 408 Q N 0.770 120.547 119.800 -0.039 0.000 2.167 408 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 408 Q C 2.203 178.154 176.000 -0.082 0.000 0.970 408 Q CA 1.414 57.149 55.803 -0.113 0.000 0.855 408 Q CB -0.686 27.949 28.738 -0.172 0.000 0.911 408 Q HN 0.776 nan 8.270 nan 0.000 0.438 409 S N 0.984 116.666 115.700 -0.030 0.000 2.368 409 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 409 S C 1.325 175.952 174.600 0.045 0.000 1.029 409 S CA 1.139 59.358 58.200 0.031 0.000 0.988 409 S CB -0.022 63.196 63.200 0.029 0.000 0.838 409 S HN 0.227 nan 8.310 nan 0.000 0.462 410 D N 1.014 121.425 120.400 0.018 0.000 2.133 410 D HA -0.096 4.544 4.640 -0.000 0.000 0.195 410 D C 1.696 177.970 176.300 -0.042 0.000 0.997 410 D CA 1.155 55.187 54.000 0.054 0.000 0.840 410 D CB -0.339 40.531 40.800 0.116 0.000 0.947 410 D HN 0.418 nan 8.370 nan 0.000 0.452 411 I N -0.340 120.077 120.570 -0.255 0.000 2.617 411 I HA -0.147 4.023 4.170 -0.000 0.000 0.256 411 I C 1.832 177.878 176.117 -0.119 0.000 1.167 411 I CA 0.338 61.360 61.300 -0.465 0.000 1.469 411 I CB -0.036 37.617 38.000 -0.579 0.000 1.098 411 I HN -0.100 nan 8.210 nan 0.000 0.436 412 F N 1.398 121.242 119.950 -0.178 0.000 2.367 412 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 412 F C 2.283 178.056 175.800 -0.045 0.000 1.094 412 F CA 1.151 59.088 58.000 -0.104 0.000 1.409 412 F CB -0.294 38.647 39.000 -0.099 0.000 1.064 412 F HN 0.070 nan 8.300 nan 0.000 0.528 413 E N -0.556 119.592 120.200 -0.086 0.000 2.273 413 E HA -0.281 4.069 4.350 -0.000 0.000 0.198 413 E C 1.952 178.459 176.600 -0.156 0.000 1.002 413 E CA 1.360 57.681 56.400 -0.132 0.000 0.828 413 E CB -0.177 29.513 29.700 -0.016 0.000 0.747 413 E HN 0.362 nan 8.360 nan 0.000 0.491 414 M N -0.980 118.545 119.600 -0.125 0.000 2.388 414 M HA -0.054 4.426 4.480 -0.000 0.000 0.265 414 M C 1.626 177.873 176.300 -0.089 0.000 1.088 414 M CA 0.695 55.919 55.300 -0.125 0.000 1.134 414 M CB 0.754 33.185 32.600 -0.282 0.000 1.384 414 M HN -0.057 nan 8.290 nan 0.000 0.447 415 V N -1.237 118.589 119.914 -0.147 0.000 2.575 415 V HA -0.086 4.033 4.120 -0.000 0.000 0.242 415 V C 2.256 178.162 176.094 -0.313 0.000 1.045 415 V CA 1.289 63.517 62.300 -0.119 0.000 1.065 415 V CB -0.696 31.157 31.823 0.049 0.000 0.717 415 V HN 0.607 nan 8.190 nan 0.000 0.467 416 S N 1.643 116.892 115.700 -0.752 0.000 2.380 416 S HA -0.199 4.271 4.470 -0.000 0.000 0.229 416 S C -0.076 174.390 174.600 -0.223 0.000 1.043 416 S CA 2.026 59.839 58.200 -0.645 0.000 1.038 416 S CB -2.074 60.672 63.200 -0.756 0.000 0.872 416 S HN 0.499 nan 8.310 nan 0.000 0.456 417 P HA 0.033 nan 4.420 nan 0.000 0.220 417 P C 1.414 178.783 177.300 0.114 0.000 1.148 417 P CA 0.812 63.940 63.100 0.046 0.000 0.803 417 P CB -0.189 31.513 31.700 0.003 0.000 0.782 418 L N -1.595 119.641 121.223 0.022 0.000 2.313 418 L HA -0.065 4.275 4.340 -0.000 0.000 0.214 418 L C 1.935 178.821 176.870 0.028 0.000 1.119 418 L CA 0.673 55.540 54.840 0.045 0.000 0.809 418 L CB -0.640 41.438 42.059 0.033 0.000 0.933 418 L HN -0.033 nan 8.230 nan 0.000 0.449 419 I N 0.071 120.634 120.570 -0.012 0.000 2.315 419 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 419 I C 2.561 178.640 176.117 -0.063 0.000 1.117 419 I CA 1.261 62.545 61.300 -0.028 0.000 1.404 419 I CB -1.047 36.947 38.000 -0.011 0.000 1.071 419 I HN 0.312 nan 8.210 nan 0.000 0.419 420 Q N 1.085 120.840 119.800 -0.075 0.000 2.084 420 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 420 Q C 2.351 178.265 176.000 -0.144 0.000 0.978 420 Q CA 2.126 57.826 55.803 -0.172 0.000 0.844 420 Q CB -0.266 28.250 28.738 -0.370 0.000 0.898 420 Q HN 0.336 nan 8.270 nan 0.000 0.426 421 S N 0.150 115.848 115.700 -0.004 0.000 2.359 421 S HA -0.182 4.287 4.470 -0.000 0.000 0.224 421 S C 1.913 176.606 174.600 0.156 0.000 1.035 421 S CA 1.145 59.422 58.200 0.128 0.000 1.018 421 S CB -0.710 62.559 63.200 0.114 0.000 0.876 421 S HN 0.631 nan 8.310 nan 0.000 0.448 422 A N 1.178 124.030 122.820 0.052 0.000 1.940 422 A HA -0.030 4.289 4.320 -0.000 0.000 0.219 422 A C 2.062 179.598 177.584 -0.079 0.000 1.176 422 A CA 1.186 53.225 52.037 0.005 0.000 0.631 422 A CB -0.692 18.282 19.000 -0.042 0.000 0.814 422 A HN 0.480 nan 8.150 nan 0.000 0.446 423 L N -0.588 120.538 121.223 -0.161 0.000 2.275 423 L HA -0.116 4.224 4.340 -0.000 0.000 0.215 423 L C 1.045 177.772 176.870 -0.238 0.000 1.119 423 L CA 0.927 55.568 54.840 -0.332 0.000 0.790 423 L CB -0.320 41.500 42.059 -0.400 0.000 0.919 423 L HN 0.309 nan 8.230 nan 0.000 0.443 424 D N -0.317 120.023 120.400 -0.100 0.000 2.339 424 D HA 0.098 4.738 4.640 -0.000 0.000 0.217 424 D C 1.490 177.701 176.300 -0.147 0.000 1.050 424 D CA 0.936 54.888 54.000 -0.081 0.000 0.856 424 D CB 0.790 41.650 40.800 0.099 0.000 0.922 424 D HN 0.365 nan 8.370 nan 0.000 0.518 425 G N 0.185 108.903 108.800 -0.137 0.000 2.163 425 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.213 425 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.213 425 G C -0.115 174.619 174.900 -0.277 0.000 0.991 425 G CA -0.485 44.486 45.100 -0.215 0.000 0.653 425 G HN 0.256 nan 8.290 nan 0.000 0.518 426 Y N 0.718 120.999 120.300 -0.033 0.000 2.376 426 Y HA 0.617 5.167 4.550 -0.000 0.000 0.325 426 Y C 0.644 176.532 175.900 -0.020 0.000 1.199 426 Y CA -0.947 57.144 58.100 -0.014 0.000 1.206 426 Y CB 0.889 39.351 38.460 0.004 0.000 1.229 426 Y HN 0.020 nan 8.280 nan 0.000 0.480 427 N N 2.370 121.164 118.700 0.157 0.000 2.438 427 N HA 0.364 5.104 4.740 -0.000 0.000 0.282 427 N C -1.106 174.452 175.510 0.080 0.000 1.037 427 N CA -0.228 52.868 53.050 0.076 0.000 0.942 427 N CB 0.942 39.457 38.487 0.046 0.000 1.136 427 N HN 0.358 nan 8.380 nan 0.000 0.481 428 I N 1.023 121.616 120.570 0.038 0.000 2.646 428 I HA 0.408 4.578 4.170 -0.000 0.000 0.299 428 I C -0.198 175.907 176.117 -0.019 0.000 1.036 428 I CA -0.678 60.638 61.300 0.027 0.000 1.074 428 I CB 1.427 39.442 38.000 0.025 0.000 1.258 428 I HN 0.305 nan 8.210 nan 0.000 0.430 429 C N 6.049 125.335 119.300 -0.023 0.000 2.397 429 C HA 0.599 5.059 4.460 -0.000 0.000 0.325 429 C C -0.297 174.599 174.990 -0.156 0.000 1.201 429 C CA -0.521 58.397 59.018 -0.167 0.000 1.377 429 C CB 1.045 28.705 27.740 -0.133 0.000 2.038 429 C HN 0.409 nan 8.230 nan 0.000 0.457 430 I N 3.933 124.361 120.570 -0.237 0.000 2.389 430 I HA 0.509 4.679 4.170 -0.000 0.000 0.288 430 I C -0.533 175.511 176.117 -0.121 0.000 0.999 430 I CA -0.370 60.924 61.300 -0.009 0.000 1.129 430 I CB 0.794 38.854 38.000 0.099 0.000 1.288 430 I HN 0.435 nan 8.210 nan 0.000 0.444 431 F N 3.802 123.909 119.950 0.262 0.000 2.508 431 F HA 0.733 5.260 4.527 -0.000 0.000 0.325 431 F C 0.422 176.424 175.800 0.336 0.000 1.090 431 F CA -0.786 57.367 58.000 0.255 0.000 0.945 431 F CB 2.108 41.254 39.000 0.243 0.000 1.156 431 F HN 0.495 nan 8.300 nan 0.000 0.463 432 A N 3.070 126.174 122.820 0.473 0.000 2.304 432 A HA 0.639 4.959 4.320 -0.000 0.000 0.314 432 A C -1.979 175.845 177.584 0.401 0.000 1.187 432 A CA -0.535 51.730 52.037 0.381 0.000 0.810 432 A CB 0.387 19.508 19.000 0.202 0.000 1.183 432 A HN 0.732 nan 8.150 nan 0.000 0.487 433 Y N 1.763 122.221 120.300 0.264 0.000 2.524 433 Y HA 0.701 5.251 4.550 -0.000 0.000 0.344 433 Y C 0.360 176.353 175.900 0.155 0.000 1.012 433 Y CA 0.442 58.663 58.100 0.201 0.000 1.068 433 Y CB 2.130 40.725 38.460 0.225 0.000 1.249 433 Y HN 1.408 nan 8.280 nan 0.000 0.468 434 G N 3.433 112.055 108.800 -0.295 0.000 2.361 434 G HA2 0.174 4.134 3.960 -0.000 0.000 0.305 434 G HA3 0.174 4.134 3.960 -0.000 0.000 0.305 434 G C -1.974 172.817 174.900 -0.180 0.000 1.367 434 G CA -0.808 44.223 45.100 -0.115 0.000 0.951 434 G HN 0.865 nan 8.290 nan 0.000 0.615 435 Q N -0.333 119.426 119.800 -0.069 0.000 2.354 435 Q HA 0.561 4.901 4.340 -0.000 0.000 0.244 435 Q C -0.001 175.988 176.000 -0.019 0.000 0.969 435 Q CA -0.022 55.752 55.803 -0.047 0.000 0.885 435 Q CB 0.541 29.283 28.738 0.006 0.000 1.241 435 Q HN 0.437 nan 8.270 nan 0.000 0.461 436 T N 1.674 116.218 114.554 -0.017 0.000 2.866 436 T HA 0.253 4.603 4.350 -0.000 0.000 0.293 436 T C 1.086 175.799 174.700 0.022 0.000 1.005 436 T CA 1.036 63.135 62.100 -0.002 0.000 1.162 436 T CB -0.063 68.802 68.868 -0.005 0.000 0.968 436 T HN 0.997 nan 8.240 nan 0.000 0.530 437 G N 2.411 111.227 108.800 0.026 0.000 2.175 437 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.244 437 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.244 437 G C 1.188 176.118 174.900 0.050 0.000 0.982 437 G CA 0.705 45.832 45.100 0.044 0.000 0.641 437 G HN 0.991 nan 8.290 nan 0.000 0.527 438 S N -0.778 114.945 115.700 0.038 0.000 2.436 438 S HA 0.427 4.897 4.470 -0.000 0.000 0.228 438 S C 2.015 176.618 174.600 0.005 0.000 1.014 438 S CA 1.690 59.906 58.200 0.027 0.000 0.950 438 S CB 0.319 63.542 63.200 0.038 0.000 0.784 438 S HN 2.279 nan 8.310 nan 0.000 0.504 439 G N 0.686 109.500 108.800 0.023 0.000 2.559 439 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.202 439 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.202 439 G C 0.716 175.665 174.900 0.082 0.000 0.992 439 G CA 0.087 45.207 45.100 0.033 0.000 0.764 439 G HN 0.348 nan 8.290 nan 0.000 0.525 440 K N 0.312 120.755 120.400 0.072 0.000 2.000 440 K HA -0.143 4.177 4.320 -0.000 0.000 0.218 440 K C 2.455 179.089 176.600 0.057 0.000 1.053 440 K CA 2.182 58.514 56.287 0.076 0.000 0.946 440 K CB -0.567 31.977 32.500 0.074 0.000 0.723 440 K HN 0.284 nan 8.250 nan 0.000 0.446 441 T N 0.551 115.139 114.554 0.056 0.000 2.788 441 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 441 T C 1.688 176.408 174.700 0.034 0.000 1.044 441 T CA 1.360 63.480 62.100 0.035 0.000 1.139 441 T CB -0.439 68.449 68.868 0.033 0.000 0.867 441 T HN 0.301 nan 8.240 nan 0.000 0.454 442 Y N 1.874 122.140 120.300 -0.055 0.000 2.333 442 Y HA -0.147 4.403 4.550 -0.000 0.000 0.290 442 Y C 2.427 178.262 175.900 -0.109 0.000 1.144 442 Y CA 1.154 59.211 58.100 -0.072 0.000 1.228 442 Y CB -0.485 37.940 38.460 -0.059 0.000 0.985 442 Y HN 0.097 nan 8.280 nan 0.000 0.542 443 T N 0.424 114.979 114.554 0.002 0.000 2.851 443 T HA -0.097 4.253 4.350 -0.000 0.000 0.262 443 T C 1.781 176.327 174.700 -0.257 0.000 1.043 443 T CA 1.505 63.507 62.100 -0.164 0.000 1.140 443 T CB -0.061 68.704 68.868 -0.172 0.000 0.872 443 T HN 0.237 nan 8.240 nan 0.000 0.446 444 M N 1.148 120.646 119.600 -0.170 0.000 2.160 444 M HA 0.074 4.554 4.480 -0.000 0.000 0.264 444 M C 1.576 177.775 176.300 -0.169 0.000 1.073 444 M CA 1.361 56.569 55.300 -0.153 0.000 1.142 444 M CB -0.889 31.667 32.600 -0.072 0.000 1.358 444 M HN 0.117 nan 8.290 nan 0.000 0.422 445 D N -0.506 119.798 120.400 -0.161 0.000 2.269 445 D HA 0.263 4.903 4.640 -0.000 0.000 0.220 445 D C 1.375 177.522 176.300 -0.255 0.000 0.962 445 D CA 1.297 55.191 54.000 -0.177 0.000 0.884 445 D CB 0.105 40.826 40.800 -0.131 0.000 1.023 445 D HN 0.376 nan 8.370 nan 0.000 0.484 446 G N 0.232 108.832 108.800 -0.335 0.000 2.615 446 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.218 446 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.218 446 G C -0.318 174.394 174.900 -0.313 0.000 1.339 446 G CA -0.128 44.643 45.100 -0.548 0.000 0.884 446 G HN 0.736 nan 8.290 nan 0.000 0.559 447 V N -3.958 115.796 119.914 -0.267 0.000 3.078 447 V HA 0.812 4.932 4.120 -0.000 0.000 0.311 447 V C -1.261 174.784 176.094 -0.082 0.000 1.138 447 V CA -0.887 61.359 62.300 -0.091 0.000 1.007 447 V CB 1.521 33.363 31.823 0.032 0.000 1.045 447 V HN 0.636 nan 8.190 nan 0.000 0.432 448 P HA -0.253 nan 4.420 nan 0.000 0.225 448 P C 0.964 178.244 177.300 -0.034 0.000 1.154 448 P CA 2.512 65.596 63.100 -0.027 0.000 0.933 448 P CB 0.108 31.808 31.700 0.000 0.000 0.790 449 E N -1.879 118.309 120.200 -0.021 0.000 2.502 449 E HA 0.135 4.485 4.350 -0.000 0.000 0.194 449 E C 0.263 176.844 176.600 -0.033 0.000 1.062 449 E CA 0.329 56.718 56.400 -0.018 0.000 0.867 449 E CB -0.107 29.595 29.700 0.003 0.000 0.888 449 E HN -0.022 nan 8.360 nan 0.000 0.510 450 S N 0.544 116.204 115.700 -0.068 0.000 2.479 450 S HA 0.221 4.690 4.470 -0.000 0.000 0.169 450 S C -0.523 173.937 174.600 -0.234 0.000 1.181 450 S CA -0.707 57.423 58.200 -0.116 0.000 1.169 450 S CB 0.137 63.303 63.200 -0.056 0.000 1.384 450 S HN 0.199 nan 8.310 nan 0.000 0.412 451 V N 1.903 121.691 119.914 -0.211 0.000 2.924 451 V HA 0.894 5.014 4.120 -0.000 0.000 0.305 451 V C 1.065 176.964 176.094 -0.326 0.000 1.073 451 V CA 0.312 62.458 62.300 -0.257 0.000 1.098 451 V CB 0.512 32.211 31.823 -0.208 0.000 1.000 451 V HN 0.611 nan 8.190 nan 0.000 0.484 452 G N 1.396 109.987 108.800 -0.349 0.000 2.695 452 G HA2 0.415 4.375 3.960 -0.000 0.000 0.213 452 G HA3 0.415 4.375 3.960 -0.000 0.000 0.213 452 G C 0.776 175.475 174.900 -0.336 0.000 1.406 452 G CA -0.058 44.826 45.100 -0.360 0.000 1.049 452 G HN 0.784 nan 8.290 nan 0.000 0.573 453 V N 0.721 120.463 119.914 -0.287 0.000 2.220 453 V HA -0.201 3.918 4.120 -0.000 0.000 0.246 453 V C 2.868 178.833 176.094 -0.216 0.000 1.049 453 V CA 1.904 64.074 62.300 -0.217 0.000 1.003 453 V CB -0.871 30.867 31.823 -0.140 0.000 0.634 453 V HN 0.536 nan 8.190 nan 0.000 0.444 454 I N 0.446 120.922 120.570 -0.157 0.000 2.087 454 I HA -0.222 3.947 4.170 -0.000 0.000 0.240 454 I C 0.023 176.055 176.117 -0.142 0.000 1.054 454 I CA 2.125 63.357 61.300 -0.114 0.000 1.311 454 I CB -2.296 35.656 38.000 -0.080 0.000 1.024 454 I HN 0.375 nan 8.210 nan 0.000 0.402 455 P HA -0.124 nan 4.420 nan 0.000 0.218 455 P C 1.571 178.729 177.300 -0.236 0.000 1.148 455 P CA 1.511 64.510 63.100 -0.168 0.000 0.822 455 P CB -0.131 31.463 31.700 -0.177 0.000 0.784 456 R N -1.283 118.958 120.500 -0.432 0.000 2.115 456 R HA 0.006 4.346 4.340 -0.000 0.000 0.226 456 R C 2.056 178.011 176.300 -0.575 0.000 1.100 456 R CA 1.440 57.096 56.100 -0.740 0.000 0.980 456 R CB -0.891 28.491 30.300 -1.531 0.000 0.875 456 R HN 0.181 nan 8.270 nan 0.000 0.445 457 T N 0.404 114.772 114.554 -0.310 0.000 2.821 457 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 457 T C 1.919 176.628 174.700 0.016 0.000 1.046 457 T CA 1.078 63.187 62.100 0.016 0.000 1.139 457 T CB -0.073 68.823 68.868 0.047 0.000 0.871 457 T HN -0.020 nan 8.240 nan 0.000 0.454 458 V N 2.022 121.937 119.914 0.001 0.000 2.295 458 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 458 V C 2.341 178.548 176.094 0.188 0.000 1.049 458 V CA 1.799 64.165 62.300 0.109 0.000 1.024 458 V CB -0.564 31.339 31.823 0.133 0.000 0.648 458 V HN 0.394 nan 8.190 nan 0.000 0.447 459 D N -0.122 120.328 120.400 0.083 0.000 2.097 459 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 459 D C 1.908 178.277 176.300 0.116 0.000 0.989 459 D CA 1.272 55.328 54.000 0.093 0.000 0.827 459 D CB -0.387 40.412 40.800 -0.001 0.000 0.966 459 D HN 0.372 nan 8.370 nan 0.000 0.456 460 L N 0.220 121.503 121.223 0.101 0.000 2.093 460 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 460 L C 1.944 178.858 176.870 0.073 0.000 1.085 460 L CA 1.188 56.109 54.840 0.134 0.000 0.755 460 L CB -0.493 41.730 42.059 0.274 0.000 0.904 460 L HN -0.022 nan 8.230 nan 0.000 0.435 461 L N -0.890 120.349 121.223 0.025 0.000 2.017 461 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 461 L C 2.210 178.973 176.870 -0.177 0.000 1.073 461 L CA 1.933 56.698 54.840 -0.125 0.000 0.745 461 L CB -0.976 40.949 42.059 -0.222 0.000 0.894 461 L HN 0.253 nan 8.230 nan 0.000 0.432 462 F N -0.485 119.471 119.950 0.009 0.000 2.407 462 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 462 F C 2.470 178.291 175.800 0.035 0.000 1.097 462 F CA 1.364 59.379 58.000 0.025 0.000 1.422 462 F CB -0.435 38.583 39.000 0.030 0.000 1.067 462 F HN 0.272 nan 8.300 nan 0.000 0.539 463 D N -0.663 119.840 120.400 0.171 0.000 2.149 463 D HA -0.110 4.529 4.640 -0.000 0.000 0.201 463 D C 2.055 178.404 176.300 0.081 0.000 0.972 463 D CA 1.149 55.220 54.000 0.117 0.000 0.835 463 D CB 0.297 41.151 40.800 0.091 0.000 0.966 463 D HN 0.186 nan 8.370 nan 0.000 0.476 464 S N 0.316 116.047 115.700 0.053 0.000 2.395 464 S HA 0.014 4.484 4.470 -0.000 0.000 0.225 464 S C 2.155 176.847 174.600 0.153 0.000 1.027 464 S CA 0.116 58.345 58.200 0.049 0.000 0.965 464 S CB 0.096 63.307 63.200 0.019 0.000 0.812 464 S HN 0.320 nan 8.310 nan 0.000 0.482 465 I N 1.133 121.760 120.570 0.094 0.000 2.335 465 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 465 I C 2.621 178.890 176.117 0.254 0.000 1.129 465 I CA 1.062 62.458 61.300 0.160 0.000 1.402 465 I CB -0.275 37.747 38.000 0.036 0.000 1.069 465 I HN 0.160 nan 8.210 nan 0.000 0.424 466 R N 1.166 121.779 120.500 0.189 0.000 2.062 466 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 466 R C 2.426 178.813 176.300 0.145 0.000 1.136 466 R CA 1.631 57.829 56.100 0.164 0.000 0.948 466 R CB -1.225 29.151 30.300 0.127 0.000 0.845 466 R HN 0.394 nan 8.270 nan 0.000 0.430 467 G N -1.014 107.844 108.800 0.096 0.000 2.440 467 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 467 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 467 G C 1.105 176.035 174.900 0.049 0.000 1.154 467 G CA 0.905 46.020 45.100 0.026 0.000 0.767 467 G HN 0.321 nan 8.290 nan 0.000 0.552 468 Y N 0.560 120.930 120.300 0.117 0.000 2.256 468 Y HA -0.107 4.442 4.550 -0.000 0.000 0.288 468 Y C 3.007 179.037 175.900 0.217 0.000 1.155 468 Y CA 1.433 59.652 58.100 0.199 0.000 1.203 468 Y CB -0.201 38.442 38.460 0.305 0.000 0.980 468 Y HN 0.052 nan 8.280 nan 0.000 0.530 469 R N 1.048 121.737 120.500 0.315 0.000 2.113 469 R HA -0.169 4.170 4.340 -0.000 0.000 0.244 469 R C 0.695 177.087 176.300 0.154 0.000 1.142 469 R CA 1.770 57.995 56.100 0.209 0.000 0.953 469 R CB -0.585 29.806 30.300 0.153 0.000 0.860 469 R HN 0.390 nan 8.270 nan 0.000 0.438 470 N N 0.485 119.262 118.700 0.129 0.000 2.878 470 N HA 0.009 4.749 4.740 -0.000 0.000 0.282 470 N C -0.287 175.297 175.510 0.122 0.000 1.284 470 N CA 0.337 53.445 53.050 0.097 0.000 1.053 470 N CB 0.588 39.114 38.487 0.066 0.000 1.382 470 N HN 0.163 nan 8.380 nan 0.000 0.529 471 L N -1.213 120.122 121.223 0.187 0.000 3.794 471 L HA 0.231 4.570 4.340 -0.000 0.000 0.364 471 L C 0.761 177.827 176.870 0.326 0.000 1.297 471 L CA 0.263 55.270 54.840 0.279 0.000 1.130 471 L CB 0.235 42.493 42.059 0.332 0.000 1.442 471 L HN 0.424 nan 8.230 nan 0.000 0.616 472 G N -0.860 107.986 108.800 0.078 0.000 2.693 472 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.226 472 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.226 472 G C -0.685 174.138 174.900 -0.128 0.000 1.354 472 G CA -0.248 44.623 45.100 -0.382 0.000 0.873 472 G HN 0.350 nan 8.290 nan 0.000 0.562 473 W N -1.263 119.800 121.300 -0.396 0.000 3.079 473 W HA 0.045 4.705 4.660 -0.000 0.000 0.455 473 W C 0.203 176.634 176.519 -0.148 0.000 1.856 473 W CA 0.717 57.973 57.345 -0.150 0.000 0.459 473 W CB -0.433 29.073 29.460 0.077 0.000 2.859 473 W HN 0.741 nan 8.180 nan 0.000 0.417 474 E N 2.559 122.765 120.200 0.011 0.000 2.234 474 E HA 0.413 4.763 4.350 -0.000 0.000 0.266 474 E C -1.169 175.348 176.600 -0.138 0.000 0.877 474 E CA -1.198 55.209 56.400 0.013 0.000 0.758 474 E CB 1.822 31.527 29.700 0.008 0.000 1.170 474 E HN 0.247 nan 8.360 nan 0.000 0.415 475 Y N 0.608 120.939 120.300 0.052 0.000 2.409 475 Y HA 0.292 4.842 4.550 -0.000 0.000 0.339 475 Y C 0.498 176.401 175.900 0.005 0.000 1.033 475 Y CA -0.622 57.472 58.100 -0.010 0.000 1.094 475 Y CB 1.876 40.274 38.460 -0.104 0.000 1.210 475 Y HN 0.418 nan 8.280 nan 0.000 0.456 476 E N 3.223 123.517 120.200 0.157 0.000 2.222 476 E HA 0.576 4.925 4.350 -0.000 0.000 0.267 476 E C -1.656 174.990 176.600 0.078 0.000 0.884 476 E CA -0.623 55.843 56.400 0.110 0.000 0.764 476 E CB 1.266 31.014 29.700 0.079 0.000 1.169 476 E HN 0.637 nan 8.360 nan 0.000 0.413 477 I N 3.850 124.455 120.570 0.058 0.000 2.362 477 I HA 0.307 4.477 4.170 -0.000 0.000 0.289 477 I C -0.361 175.777 176.117 0.035 0.000 0.994 477 I CA -0.696 60.608 61.300 0.006 0.000 1.158 477 I CB 1.543 39.508 38.000 -0.058 0.000 1.315 477 I HN 0.305 nan 8.210 nan 0.000 0.451 478 K N 5.295 125.700 120.400 0.008 0.000 2.265 478 K HA 0.716 5.035 4.320 -0.000 0.000 0.267 478 K C -0.667 175.917 176.600 -0.027 0.000 0.994 478 K CA -0.325 55.970 56.287 0.014 0.000 0.860 478 K CB 1.830 34.338 32.500 0.013 0.000 1.099 478 K HN 0.691 nan 8.250 nan 0.000 0.448 479 A N 2.304 125.117 122.820 -0.012 0.000 2.330 479 A HA 0.666 4.986 4.320 -0.000 0.000 0.327 479 A C -0.468 177.071 177.584 -0.075 0.000 1.155 479 A CA -0.606 51.369 52.037 -0.104 0.000 0.803 479 A CB 0.919 19.894 19.000 -0.041 0.000 1.208 479 A HN 0.690 nan 8.150 nan 0.000 0.477 480 T N -1.161 113.224 114.554 -0.282 0.000 2.906 480 T HA 0.794 5.144 4.350 -0.000 0.000 0.295 480 T C -1.013 173.450 174.700 -0.396 0.000 1.061 480 T CA -0.497 61.535 62.100 -0.115 0.000 1.000 480 T CB 1.079 69.917 68.868 -0.049 0.000 1.103 480 T HN 0.361 nan 8.240 nan 0.000 0.486 481 F N 1.892 121.847 119.950 0.010 0.000 2.562 481 F HA 0.716 5.243 4.527 -0.000 0.000 0.319 481 F C -0.724 175.097 175.800 0.035 0.000 1.154 481 F CA -1.169 56.839 58.000 0.012 0.000 0.931 481 F CB 1.863 40.861 39.000 -0.002 0.000 1.198 481 F HN 0.797 nan 8.300 nan 0.000 0.444 482 L N -0.274 121.059 121.223 0.183 0.000 2.403 482 L HA 0.865 5.205 4.340 -0.000 0.000 0.253 482 L C -1.166 175.811 176.870 0.178 0.000 1.045 482 L CA -0.955 53.987 54.840 0.169 0.000 0.845 482 L CB 2.222 44.354 42.059 0.123 0.000 1.447 482 L HN 0.590 nan 8.230 nan 0.000 0.411 483 E N 0.687 121.018 120.200 0.219 0.000 2.293 483 E HA 0.700 5.050 4.350 -0.000 0.000 0.270 483 E C -1.751 175.046 176.600 0.327 0.000 0.879 483 E CA -0.751 55.791 56.400 0.236 0.000 0.756 483 E CB 2.193 32.001 29.700 0.180 0.000 1.208 483 E HN 0.735 nan 8.360 nan 0.000 0.428 484 I N 4.954 125.713 120.570 0.316 0.000 2.436 484 I HA 0.231 4.401 4.170 -0.000 0.000 0.289 484 I C -0.642 175.680 176.117 0.343 0.000 1.010 484 I CA -0.612 60.897 61.300 0.348 0.000 1.098 484 I CB 1.287 39.501 38.000 0.357 0.000 1.266 484 I HN 0.702 nan 8.210 nan 0.000 0.434 485 Y N 6.288 126.720 120.300 0.221 0.000 2.740 485 Y HA 0.242 4.792 4.550 -0.000 0.000 0.257 485 Y C 0.715 176.666 175.900 0.086 0.000 1.064 485 Y CA 0.645 58.803 58.100 0.096 0.000 1.351 485 Y CB 0.515 39.010 38.460 0.058 0.000 1.439 485 Y HN 0.546 nan 8.280 nan 0.000 0.488 486 N N 0.943 119.436 118.700 -0.345 0.000 2.598 486 N HA 0.084 4.823 4.740 -0.000 0.000 0.309 486 N C -0.846 174.594 175.510 -0.116 0.000 1.645 486 N CA 0.378 53.167 53.050 -0.435 0.000 0.936 486 N CB 0.373 38.492 38.487 -0.614 0.000 1.323 486 N HN 0.270 nan 8.380 nan 0.000 0.497 487 E N -0.622 119.573 120.200 -0.008 0.000 2.957 487 E HA -0.127 4.223 4.350 -0.000 0.000 0.287 487 E C -1.120 175.497 176.600 0.030 0.000 0.976 487 E CA 0.428 56.847 56.400 0.033 0.000 0.907 487 E CB -1.458 28.246 29.700 0.008 0.000 1.456 487 E HN 0.215 nan 8.360 nan 0.000 0.421 488 V N 0.892 120.841 119.914 0.060 0.000 2.680 488 V HA 0.477 4.597 4.120 -0.000 0.000 0.309 488 V C 0.333 176.401 176.094 -0.043 0.000 1.052 488 V CA -0.847 61.438 62.300 -0.025 0.000 0.908 488 V CB 1.995 33.801 31.823 -0.028 0.000 1.001 488 V HN 0.049 nan 8.190 nan 0.000 0.431 489 L N 4.008 125.115 121.223 -0.193 0.000 2.360 489 L HA 0.590 4.929 4.340 -0.000 0.000 0.271 489 L C -1.015 175.631 176.870 -0.374 0.000 1.057 489 L CA -0.068 54.705 54.840 -0.112 0.000 0.803 489 L CB 1.082 43.110 42.059 -0.052 0.000 1.207 489 L HN 0.519 nan 8.230 nan 0.000 0.445 490 Y N 0.173 120.521 120.300 0.079 0.000 2.386 490 Y HA 0.270 4.820 4.550 -0.000 0.000 0.334 490 Y C -0.481 175.462 175.900 0.070 0.000 1.002 490 Y CA -1.288 56.854 58.100 0.071 0.000 1.068 490 Y CB 1.664 40.167 38.460 0.072 0.000 1.203 490 Y HN 0.465 nan 8.280 nan 0.000 0.443 491 D N 3.675 124.183 120.400 0.179 0.000 2.336 491 D HA 0.134 4.774 4.640 -0.000 0.000 0.249 491 D C 0.418 176.803 176.300 0.142 0.000 1.213 491 D CA 0.214 54.299 54.000 0.142 0.000 0.870 491 D CB 0.951 41.812 40.800 0.101 0.000 1.076 491 D HN 0.685 nan 8.370 nan 0.000 0.483 492 L N 3.547 124.858 121.223 0.147 0.000 2.610 492 L HA 0.033 4.373 4.340 -0.000 0.000 0.232 492 L C 1.602 178.478 176.870 0.011 0.000 1.149 492 L CA 0.235 55.128 54.840 0.088 0.000 0.872 492 L CB 0.032 42.154 42.059 0.105 0.000 0.992 492 L HN 0.472 nan 8.230 nan 0.000 0.447 493 L N -1.756 119.490 121.223 0.039 0.000 2.693 493 L HA 0.188 4.528 4.340 -0.000 0.000 0.235 493 L C 0.756 177.634 176.870 0.013 0.000 1.127 493 L CA 0.099 54.930 54.840 -0.015 0.000 0.914 493 L CB 0.645 42.721 42.059 0.028 0.000 1.193 493 L HN 0.108 nan 8.230 nan 0.000 0.502 494 S N -0.945 114.778 115.700 0.038 0.000 2.599 494 S HA 0.371 4.841 4.470 -0.000 0.000 0.294 494 S C 0.086 174.711 174.600 0.042 0.000 1.094 494 S CA -0.533 57.692 58.200 0.041 0.000 0.931 494 S CB 1.632 64.864 63.200 0.054 0.000 1.093 494 S HN 0.235 nan 8.310 nan 0.000 0.488 495 N N 0.797 119.519 118.700 0.037 0.000 2.184 495 N HA 0.181 4.921 4.740 -0.000 0.000 0.206 495 N C -0.703 174.833 175.510 0.044 0.000 1.151 495 N CA -0.124 52.948 53.050 0.036 0.000 0.878 495 N CB 0.671 39.171 38.487 0.022 0.000 1.014 495 N HN 0.688 nan 8.380 nan 0.000 0.512 496 E N 1.681 121.909 120.200 0.047 0.000 2.121 496 E HA 0.100 4.450 4.350 -0.000 0.000 0.255 496 E C -0.729 175.903 176.600 0.054 0.000 0.906 496 E CA -0.646 55.781 56.400 0.046 0.000 0.745 496 E CB 0.378 30.100 29.700 0.037 0.000 1.155 496 E HN -0.009 nan 8.360 nan 0.000 0.424 497 Q N 3.102 122.942 119.800 0.067 0.000 2.332 497 Q HA 0.207 4.547 4.340 -0.000 0.000 0.263 497 Q C -0.291 175.728 176.000 0.031 0.000 0.979 497 Q CA 0.246 56.088 55.803 0.064 0.000 0.885 497 Q CB 1.211 30.013 28.738 0.106 0.000 1.218 497 Q HN 0.444 nan 8.270 nan 0.000 0.405 498 K N 1.084 121.490 120.400 0.011 0.000 2.331 498 K HA 0.368 4.688 4.320 -0.000 0.000 0.238 498 K C -0.808 175.774 176.600 -0.029 0.000 1.058 498 K CA -0.961 55.326 56.287 0.001 0.000 0.871 498 K CB 0.831 33.339 32.500 0.013 0.000 1.292 498 K HN 0.367 nan 8.250 nan 0.000 0.470 499 D N 2.042 122.428 120.400 -0.023 0.000 2.374 499 D HA 0.186 4.826 4.640 -0.000 0.000 0.240 499 D C -0.370 175.904 176.300 -0.044 0.000 1.229 499 D CA 0.207 54.182 54.000 -0.042 0.000 0.895 499 D CB 0.102 40.888 40.800 -0.024 0.000 1.046 499 D HN 0.168 nan 8.370 nan 0.000 0.498 500 M N 2.248 121.804 119.600 -0.072 0.000 2.113 500 M HA 0.271 4.751 4.480 -0.000 0.000 0.352 500 M C 0.315 176.569 176.300 -0.077 0.000 1.170 500 M CA -0.406 54.856 55.300 -0.064 0.000 1.053 500 M CB 1.529 34.090 32.600 -0.065 0.000 1.601 500 M HN -0.061 nan 8.290 nan 0.000 0.459 501 E N 2.958 123.103 120.200 -0.091 0.000 2.256 501 E HA 0.529 4.879 4.350 -0.000 0.000 0.267 501 E C -1.095 175.387 176.600 -0.198 0.000 0.892 501 E CA -0.689 55.645 56.400 -0.110 0.000 0.775 501 E CB 2.470 32.117 29.700 -0.088 0.000 1.207 501 E HN 0.637 nan 8.360 nan 0.000 0.420 502 I N 3.973 124.437 120.570 -0.176 0.000 2.294 502 I HA 0.177 4.347 4.170 -0.000 0.000 0.295 502 I C 0.423 176.355 176.117 -0.309 0.000 1.098 502 I CA -0.299 60.822 61.300 -0.297 0.000 1.277 502 I CB 0.100 37.907 38.000 -0.322 0.000 1.434 502 I HN -0.050 nan 8.210 nan 0.000 0.498 503 R N 5.597 125.790 120.500 -0.512 0.000 2.720 503 R HA 0.495 4.835 4.340 -0.000 0.000 0.272 503 R C -0.327 175.841 176.300 -0.221 0.000 0.991 503 R CA -1.275 54.596 56.100 -0.381 0.000 1.010 503 R CB 1.400 31.397 30.300 -0.505 0.000 1.141 503 R HN 0.574 nan 8.270 nan 0.000 0.494 504 M N 1.940 121.539 119.600 -0.003 0.000 2.268 504 M HA 0.145 4.625 4.480 -0.000 0.000 0.349 504 M C -0.015 176.402 176.300 0.195 0.000 1.485 504 M CA 0.086 55.436 55.300 0.084 0.000 1.094 504 M CB 0.563 33.216 32.600 0.088 0.000 1.843 504 M HN 0.720 nan 8.290 nan 0.000 0.460 505 A N 6.303 129.241 122.820 0.196 0.000 2.587 505 A HA 0.046 4.366 4.320 -0.000 0.000 0.233 505 A C 1.018 178.673 177.584 0.119 0.000 1.049 505 A CA -0.037 52.132 52.037 0.219 0.000 0.754 505 A CB 0.277 19.343 19.000 0.110 0.000 0.977 505 A HN 0.971 nan 8.150 nan 0.000 0.509 506 K N 1.975 122.403 120.400 0.048 0.000 2.063 506 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 506 K C 0.166 176.771 176.600 0.008 0.000 1.048 506 K CA 1.707 58.000 56.287 0.010 0.000 0.928 506 K CB -0.278 32.185 32.500 -0.063 0.000 0.713 506 K HN 0.824 nan 8.250 nan 0.000 0.442 507 N N 1.364 120.063 118.700 -0.003 0.000 2.538 507 N HA 0.035 4.775 4.740 -0.000 0.000 0.291 507 N C -0.620 174.893 175.510 0.005 0.000 1.323 507 N CA -0.112 52.937 53.050 -0.002 0.000 0.934 507 N CB 0.247 38.727 38.487 -0.012 0.000 1.255 507 N HN 0.088 nan 8.380 nan 0.000 0.509 508 N N 1.725 120.435 118.700 0.016 0.000 4.036 508 N HA -0.066 4.674 4.740 -0.000 0.000 0.178 508 N C 0.668 176.192 175.510 0.024 0.000 1.378 508 N CA -0.246 52.813 53.050 0.015 0.000 0.851 508 N CB 0.712 39.204 38.487 0.008 0.000 1.714 508 N HN 0.122 nan 8.380 nan 0.000 0.771 509 K N 1.243 121.658 120.400 0.024 0.000 2.362 509 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 509 K C 0.002 176.616 176.600 0.024 0.000 1.045 509 K CA 1.173 57.478 56.287 0.030 0.000 0.936 509 K CB 0.087 32.603 32.500 0.027 0.000 0.747 509 K HN 0.217 nan 8.250 nan 0.000 0.467 510 N N 0.806 119.512 118.700 0.009 0.000 2.280 510 N HA 0.020 4.760 4.740 -0.000 0.000 0.192 510 N C -0.462 175.035 175.510 -0.022 0.000 1.109 510 N CA 0.214 53.258 53.050 -0.011 0.000 0.855 510 N CB 0.208 38.682 38.487 -0.021 0.000 0.974 510 N HN 0.327 nan 8.380 nan 0.000 0.482 511 D N -0.240 120.160 120.400 -0.001 0.000 2.592 511 D HA 0.522 5.162 4.640 -0.000 0.000 0.259 511 D C -0.661 175.644 176.300 0.008 0.000 1.144 511 D CA -0.497 53.499 54.000 -0.005 0.000 1.080 511 D CB 1.833 42.637 40.800 0.007 0.000 1.225 511 D HN -0.213 nan 8.370 nan 0.000 0.619 512 I N 0.008 120.578 120.570 0.001 0.000 3.095 512 I HA 0.456 4.626 4.170 -0.000 0.000 0.310 512 I C -1.591 174.567 176.117 0.069 0.000 1.196 512 I CA -0.739 60.544 61.300 -0.028 0.000 0.985 512 I CB 2.130 40.026 38.000 -0.173 0.000 1.250 512 I HN 0.411 nan 8.210 nan 0.000 0.446 513 Y N 2.933 123.182 120.300 -0.085 0.000 2.581 513 Y HA 0.797 5.347 4.550 -0.000 0.000 0.337 513 Y C -2.074 173.789 175.900 -0.063 0.000 1.108 513 Y CA -1.228 56.836 58.100 -0.061 0.000 1.033 513 Y CB 0.897 39.335 38.460 -0.037 0.000 1.318 513 Y HN 0.192 nan 8.280 nan 0.000 0.459 514 V N 3.680 123.584 119.914 -0.017 0.000 2.398 514 V HA 0.479 4.599 4.120 -0.000 0.000 0.286 514 V C 0.013 176.131 176.094 0.041 0.000 1.026 514 V CA -0.409 61.825 62.300 -0.111 0.000 0.868 514 V CB 1.267 33.067 31.823 -0.038 0.000 0.982 514 V HN 0.930 nan 8.190 nan 0.000 0.443 515 S N 4.369 120.036 115.700 -0.055 0.000 2.565 515 S HA 0.251 4.721 4.470 -0.000 0.000 0.276 515 S C 0.495 175.137 174.600 0.069 0.000 1.326 515 S CA -0.463 57.804 58.200 0.111 0.000 1.045 515 S CB 0.252 63.491 63.200 0.065 0.000 0.918 515 S HN 0.857 nan 8.310 nan 0.000 0.505 516 N N -0.003 118.752 118.700 0.092 0.000 2.758 516 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 516 N C -0.961 174.583 175.510 0.057 0.000 1.076 516 N CA 1.120 54.207 53.050 0.062 0.000 0.696 516 N CB -2.018 36.493 38.487 0.039 0.000 0.979 516 N HN 0.802 nan 8.380 nan 0.000 0.550 517 I N -1.615 118.997 120.570 0.070 0.000 2.562 517 I HA 0.385 4.555 4.170 -0.000 0.000 0.301 517 I C 0.823 176.989 176.117 0.080 0.000 1.003 517 I CA -0.727 60.617 61.300 0.073 0.000 1.127 517 I CB 1.607 39.650 38.000 0.072 0.000 1.304 517 I HN -0.166 nan 8.210 nan 0.000 0.446 518 T N 3.644 118.253 114.554 0.091 0.000 2.851 518 T HA 0.198 4.548 4.350 -0.000 0.000 0.298 518 T C -0.223 174.543 174.700 0.109 0.000 0.977 518 T CA -0.195 61.962 62.100 0.095 0.000 1.126 518 T CB 0.325 69.252 68.868 0.098 0.000 0.916 518 T HN 0.624 nan 8.240 nan 0.000 0.529 519 E N 2.561 122.817 120.200 0.094 0.000 2.191 519 E HA 0.231 4.581 4.350 -0.000 0.000 0.263 519 E C -0.943 175.719 176.600 0.102 0.000 0.881 519 E CA -0.689 55.765 56.400 0.089 0.000 0.757 519 E CB 0.788 30.524 29.700 0.062 0.000 1.147 519 E HN 0.457 nan 8.360 nan 0.000 0.414 520 E N 2.475 122.749 120.200 0.123 0.000 2.187 520 E HA 0.165 4.515 4.350 -0.000 0.000 0.268 520 E C -0.580 176.099 176.600 0.132 0.000 0.896 520 E CA -0.590 55.897 56.400 0.145 0.000 0.766 520 E CB 1.889 31.689 29.700 0.168 0.000 1.142 520 E HN 0.552 nan 8.360 nan 0.000 0.408 521 T N -0.619 114.026 114.554 0.152 0.000 2.728 521 T HA 0.294 4.644 4.350 -0.000 0.000 0.296 521 T C 0.338 175.171 174.700 0.221 0.000 0.940 521 T CA -0.706 61.480 62.100 0.143 0.000 1.013 521 T CB 0.095 69.032 68.868 0.116 0.000 0.912 521 T HN 0.107 nan 8.240 nan 0.000 0.484 522 V N 6.358 126.395 119.914 0.204 0.000 2.599 522 V HA 0.022 4.142 4.120 -0.000 0.000 0.300 522 V C 1.320 177.646 176.094 0.386 0.000 1.034 522 V CA -0.444 62.034 62.300 0.297 0.000 1.115 522 V CB 0.094 32.090 31.823 0.288 0.000 0.934 522 V HN 0.789 nan 8.190 nan 0.000 0.485 523 L N 3.454 124.981 121.223 0.507 0.000 2.102 523 L HA 0.194 4.534 4.340 -0.000 0.000 0.202 523 L C 0.979 177.956 176.870 0.180 0.000 1.076 523 L CA 1.389 56.383 54.840 0.257 0.000 0.761 523 L CB -0.789 41.328 42.059 0.096 0.000 0.921 523 L HN 1.063 nan 8.230 nan 0.000 0.444 524 D N -3.841 116.611 120.400 0.087 0.000 2.779 524 D HA 0.131 4.771 4.640 -0.000 0.000 0.331 524 D C -2.516 173.333 176.300 -0.753 0.000 1.331 524 D CA -1.145 52.657 54.000 -0.331 0.000 0.866 524 D CB 1.353 42.029 40.800 -0.207 0.000 1.409 524 D HN -0.270 nan 8.370 nan 0.000 0.486 525 P HA -0.115 nan 4.420 nan 0.000 0.215 525 P C 1.108 178.265 177.300 -0.239 0.000 1.153 525 P CA 1.378 63.975 63.100 -0.839 0.000 0.853 525 P CB 0.104 31.461 31.700 -0.571 0.000 0.788 526 N N -1.345 117.260 118.700 -0.158 0.000 2.120 526 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 526 N C 1.862 177.427 175.510 0.091 0.000 1.024 526 N CA 1.148 54.185 53.050 -0.022 0.000 0.852 526 N CB -1.227 37.242 38.487 -0.031 0.000 1.003 526 N HN 0.398 nan 8.380 nan 0.000 0.424 527 H N -0.007 119.051 119.070 -0.021 0.000 2.387 527 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 527 H C 1.982 177.387 175.328 0.130 0.000 1.099 527 H CA 0.880 56.968 56.048 0.067 0.000 1.315 527 H CB 0.130 29.925 29.762 0.055 0.000 1.380 527 H HN 0.048 nan 8.280 nan 0.000 0.513 528 L N 1.259 122.503 121.223 0.036 0.000 2.109 528 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 528 L C 2.524 179.441 176.870 0.079 0.000 1.086 528 L CA 1.206 56.074 54.840 0.047 0.000 0.760 528 L CB -0.481 41.709 42.059 0.218 0.000 0.910 528 L HN 0.100 nan 8.230 nan 0.000 0.437 529 R N -1.414 119.139 120.500 0.087 0.000 2.081 529 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 529 R C 2.334 178.708 176.300 0.123 0.000 1.131 529 R CA 1.553 57.706 56.100 0.088 0.000 0.960 529 R CB -0.697 29.651 30.300 0.081 0.000 0.856 529 R HN 0.601 nan 8.270 nan 0.000 0.436 530 H N 1.000 120.097 119.070 0.045 0.000 2.299 530 H HA -0.062 4.494 4.556 -0.000 0.000 0.302 530 H C 2.115 177.426 175.328 -0.028 0.000 1.078 530 H CA 1.424 57.498 56.048 0.042 0.000 1.323 530 H CB 0.062 29.866 29.762 0.070 0.000 1.381 530 H HN 0.116 nan 8.280 nan 0.000 0.498 531 L N 0.227 121.318 121.223 -0.219 0.000 2.081 531 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 531 L C 2.930 179.395 176.870 -0.675 0.000 1.080 531 L CA 1.329 55.895 54.840 -0.456 0.000 0.754 531 L CB -0.378 41.516 42.059 -0.275 0.000 0.893 531 L HN 0.371 nan 8.230 nan 0.000 0.433 532 M N -1.739 117.663 119.600 -0.329 0.000 2.132 532 M HA -0.187 4.292 4.480 -0.000 0.000 0.263 532 M C 2.384 178.549 176.300 -0.225 0.000 1.065 532 M CA 1.379 56.539 55.300 -0.234 0.000 1.122 532 M CB -0.557 32.049 32.600 0.010 0.000 1.365 532 M HN 0.213 nan 8.290 nan 0.000 0.411 533 H N -0.017 118.937 119.070 -0.194 0.000 2.387 533 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 533 H C 2.026 177.228 175.328 -0.210 0.000 1.090 533 H CA 1.735 57.694 56.048 -0.148 0.000 1.332 533 H CB -0.122 29.595 29.762 -0.075 0.000 1.386 533 H HN 0.312 nan 8.280 nan 0.000 0.516 534 T N 0.477 114.902 114.554 -0.215 0.000 2.674 534 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 534 T C 2.241 176.804 174.700 -0.229 0.000 1.039 534 T CA 1.505 63.442 62.100 -0.271 0.000 1.150 534 T CB -0.477 68.125 68.868 -0.443 0.000 0.864 534 T HN 0.450 nan 8.240 nan 0.000 0.427 535 A N 1.502 124.107 122.820 -0.358 0.000 1.902 535 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 535 A C 2.166 179.679 177.584 -0.118 0.000 1.181 535 A CA 2.205 54.080 52.037 -0.269 0.000 0.623 535 A CB -0.552 18.182 19.000 -0.443 0.000 0.818 535 A HN 0.469 nan 8.150 nan 0.000 0.443 536 K N -0.985 119.349 120.400 -0.110 0.000 2.057 536 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 536 K C 1.820 178.400 176.600 -0.034 0.000 1.049 536 K CA 1.795 58.046 56.287 -0.061 0.000 0.931 536 K CB -0.266 32.175 32.500 -0.099 0.000 0.714 536 K HN 0.288 nan 8.250 nan 0.000 0.440 537 M N 0.954 120.542 119.600 -0.020 0.000 2.296 537 M HA -0.030 4.450 4.480 -0.000 0.000 0.265 537 M C 1.235 177.515 176.300 -0.033 0.000 1.064 537 M CA 1.245 56.539 55.300 -0.010 0.000 1.109 537 M CB -0.927 31.674 32.600 0.002 0.000 1.396 537 M HN 0.190 nan 8.290 nan 0.000 0.430 538 N N -0.103 118.568 118.700 -0.048 0.000 2.415 538 N HA -0.031 4.709 4.740 -0.000 0.000 0.176 538 N C 1.613 177.095 175.510 -0.046 0.000 1.042 538 N CA 0.409 53.433 53.050 -0.045 0.000 0.902 538 N CB -0.180 38.280 38.487 -0.044 0.000 0.986 538 N HN 0.317 nan 8.380 nan 0.000 0.447 539 R N 1.600 122.076 120.500 -0.040 0.000 2.241 539 R HA 0.048 4.388 4.340 -0.000 0.000 0.224 539 R C 0.727 176.984 176.300 -0.072 0.000 1.101 539 R CA 0.937 57.011 56.100 -0.043 0.000 0.995 539 R CB -0.384 29.904 30.300 -0.019 0.000 0.870 539 R HN 0.020 nan 8.270 nan 0.000 0.463 540 A N 1.020 123.802 122.820 -0.063 0.000 2.471 540 A HA -0.218 4.102 4.320 -0.000 0.000 0.300 540 A C 0.240 177.770 177.584 -0.090 0.000 1.454 540 A CA 1.253 53.248 52.037 -0.070 0.000 0.861 540 A CB -2.330 16.625 19.000 -0.075 0.000 1.006 540 A HN 0.627 nan 8.150 nan 0.000 0.400 541 T N -1.205 113.301 114.554 -0.081 0.000 2.792 541 T HA 0.416 4.766 4.350 -0.000 0.000 0.286 541 T C 0.740 175.391 174.700 -0.081 0.000 0.970 541 T CA -0.029 62.016 62.100 -0.092 0.000 1.187 541 T CB 0.778 69.608 68.868 -0.064 0.000 0.915 541 T HN 1.926 nan 8.240 nan 0.000 0.529 542 A N 4.019 126.777 122.820 -0.103 0.000 2.802 542 A HA 0.169 4.489 4.320 -0.000 0.000 0.291 542 A C 1.529 179.079 177.584 -0.056 0.000 1.609 542 A CA 0.186 52.173 52.037 -0.083 0.000 1.132 542 A CB -1.002 17.940 19.000 -0.097 0.000 0.930 542 A HN 1.176 nan 8.150 nan 0.000 0.583 543 S N 0.644 116.318 115.700 -0.044 0.000 2.577 543 S HA 0.096 4.566 4.470 -0.000 0.000 0.219 543 S C 1.139 175.722 174.600 -0.027 0.000 0.962 543 S CA 0.602 58.784 58.200 -0.030 0.000 0.921 543 S CB 0.094 63.280 63.200 -0.023 0.000 0.789 543 S HN 0.934 nan 8.310 nan 0.000 0.497 544 T N 0.602 115.136 114.554 -0.034 0.000 3.499 544 T HA 0.696 5.045 4.350 -0.000 0.000 0.227 544 T C 0.394 175.077 174.700 -0.030 0.000 0.946 544 T CA 0.663 62.745 62.100 -0.029 0.000 1.368 544 T CB 0.026 68.876 68.868 -0.031 0.000 1.227 544 T HN 0.520 nan 8.240 nan 0.000 0.398 545 A N -0.767 122.031 122.820 -0.036 0.000 2.430 545 A HA 0.689 5.009 4.320 -0.000 0.000 0.300 545 A C 0.752 178.310 177.584 -0.044 0.000 1.124 545 A CA -0.214 51.803 52.037 -0.034 0.000 0.766 545 A CB 0.515 19.498 19.000 -0.029 0.000 1.328 545 A HN 1.757 nan 8.150 nan 0.000 0.424 546 G N 0.760 109.538 108.800 -0.037 0.000 2.363 546 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.286 546 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.286 546 G C 0.117 174.982 174.900 -0.059 0.000 0.975 546 G CA 0.699 45.773 45.100 -0.043 0.000 1.309 546 G HN 0.882 nan 8.290 nan 0.000 0.491 547 N N -0.027 118.647 118.700 -0.043 0.000 2.573 547 N HA 0.010 4.750 4.740 -0.000 0.000 0.187 547 N C 1.719 177.203 175.510 -0.044 0.000 1.107 547 N CA 0.893 53.915 53.050 -0.047 0.000 0.918 547 N CB 0.003 38.473 38.487 -0.029 0.000 0.966 547 N HN 0.761 nan 8.380 nan 0.000 0.448 548 E N 0.629 120.812 120.200 -0.027 0.000 2.510 548 E HA -0.142 4.208 4.350 -0.000 0.000 0.202 548 E C 1.539 178.159 176.600 0.033 0.000 1.072 548 E CA 0.508 56.919 56.400 0.019 0.000 0.883 548 E CB 0.184 29.910 29.700 0.043 0.000 0.818 548 E HN 0.289 nan 8.360 nan 0.000 0.548 549 R N -0.860 119.551 120.500 -0.150 0.000 2.435 549 R HA 0.056 4.396 4.340 -0.000 0.000 0.221 549 R C 2.020 178.122 176.300 -0.330 0.000 0.885 549 R CA 0.771 56.569 56.100 -0.503 0.000 1.018 549 R CB 0.080 29.858 30.300 -0.870 0.000 1.259 549 R HN 0.046 nan 8.270 nan 0.000 0.597 550 S N 0.012 115.599 115.700 -0.188 0.000 2.387 550 S HA -0.073 4.397 4.470 -0.000 0.000 0.221 550 S C 1.740 176.297 174.600 -0.072 0.000 1.041 550 S CA 1.477 59.601 58.200 -0.127 0.000 0.959 550 S CB -0.066 63.074 63.200 -0.099 0.000 0.843 550 S HN 0.366 nan 8.310 nan 0.000 0.488 551 S N 0.079 115.748 115.700 -0.052 0.000 2.603 551 S HA 0.265 4.735 4.470 -0.000 0.000 0.220 551 S C 1.371 175.952 174.600 -0.033 0.000 0.967 551 S CA -0.196 57.982 58.200 -0.035 0.000 0.920 551 S CB -0.179 63.006 63.200 -0.024 0.000 0.773 551 S HN 0.351 nan 8.310 nan 0.000 0.529 552 R N 1.693 122.189 120.500 -0.006 0.000 2.613 552 R HA 0.312 4.652 4.340 -0.000 0.000 0.361 552 R C -0.262 176.047 176.300 0.015 0.000 1.072 552 R CA 0.235 56.351 56.100 0.027 0.000 1.089 552 R CB 0.685 31.078 30.300 0.155 0.000 1.343 552 R HN 0.611 nan 8.270 nan 0.000 0.571 553 S N -0.945 114.717 115.700 -0.063 0.000 2.570 553 S HA 0.556 5.026 4.470 -0.000 0.000 0.286 553 S C -0.766 173.715 174.600 -0.199 0.000 1.099 553 S CA -0.842 57.303 58.200 -0.092 0.000 0.913 553 S CB 1.752 64.996 63.200 0.074 0.000 1.085 553 S HN 0.251 nan 8.310 nan 0.000 0.480 554 H N 0.305 119.455 119.070 0.133 0.000 2.463 554 H HA 0.753 5.308 4.556 -0.000 0.000 0.332 554 H C -0.033 175.364 175.328 0.115 0.000 1.127 554 H CA -0.425 55.695 56.048 0.121 0.000 1.238 554 H CB 1.508 31.353 29.762 0.137 0.000 1.478 554 H HN 0.965 nan 8.280 nan 0.000 0.499 555 A N 2.633 125.582 122.820 0.216 0.000 2.318 555 A HA 0.590 4.910 4.320 -0.000 0.000 0.317 555 A C -0.981 176.682 177.584 0.133 0.000 1.159 555 A CA -0.660 51.468 52.037 0.153 0.000 0.799 555 A CB 0.638 19.702 19.000 0.107 0.000 1.194 555 A HN 0.488 nan 8.150 nan 0.000 0.479 556 V N 2.505 122.484 119.914 0.108 0.000 2.483 556 V HA 0.516 4.636 4.120 -0.000 0.000 0.297 556 V C -0.173 175.909 176.094 -0.021 0.000 1.027 556 V CA -0.352 61.973 62.300 0.041 0.000 0.855 556 V CB 1.851 33.699 31.823 0.042 0.000 0.995 556 V HN 0.902 nan 8.190 nan 0.000 0.424 557 T N 5.189 119.688 114.554 -0.092 0.000 2.770 557 T HA 0.424 4.774 4.350 -0.000 0.000 0.283 557 T C -0.397 174.144 174.700 -0.265 0.000 0.988 557 T CA -0.528 61.420 62.100 -0.252 0.000 0.957 557 T CB 1.126 69.866 68.868 -0.214 0.000 0.930 557 T HN 0.616 nan 8.240 nan 0.000 0.443 558 K N 3.878 124.083 120.400 -0.325 0.000 2.244 558 K HA 0.549 4.869 4.320 -0.000 0.000 0.260 558 K C -1.092 175.356 176.600 -0.253 0.000 0.951 558 K CA -0.781 55.368 56.287 -0.229 0.000 0.826 558 K CB 0.788 33.195 32.500 -0.156 0.000 1.108 558 K HN 0.515 nan 8.250 nan 0.000 0.433 559 L N 4.721 125.834 121.223 -0.182 0.000 2.337 559 L HA 0.294 4.634 4.340 -0.000 0.000 0.269 559 L C -0.177 176.628 176.870 -0.108 0.000 1.018 559 L CA -0.617 54.131 54.840 -0.153 0.000 0.876 559 L CB 1.313 43.286 42.059 -0.143 0.000 1.236 559 L HN 0.708 nan 8.230 nan 0.000 0.436 560 E N 4.632 124.781 120.200 -0.085 0.000 2.257 560 E HA 0.293 4.643 4.350 -0.000 0.000 0.278 560 E C -1.097 175.476 176.600 -0.044 0.000 1.049 560 E CA -0.443 55.924 56.400 -0.055 0.000 0.876 560 E CB 0.788 30.466 29.700 -0.037 0.000 1.035 560 E HN 0.525 nan 8.360 nan 0.000 0.419 561 L N 6.530 127.728 121.223 -0.042 0.000 2.276 561 L HA 0.398 4.738 4.340 -0.000 0.000 0.286 561 L C -0.657 176.250 176.870 0.061 0.000 1.024 561 L CA -0.857 53.973 54.840 -0.016 0.000 0.826 561 L CB 0.808 42.808 42.059 -0.098 0.000 1.211 561 L HN 0.568 nan 8.230 nan 0.000 0.422 562 I N 2.706 123.342 120.570 0.109 0.000 2.355 562 I HA 0.454 4.624 4.170 -0.000 0.000 0.288 562 I C 0.706 176.846 176.117 0.040 0.000 0.999 562 I CA -0.095 61.250 61.300 0.074 0.000 1.163 562 I CB 1.637 39.658 38.000 0.035 0.000 1.316 562 I HN 0.516 nan 8.210 nan 0.000 0.454 563 G N 5.632 114.363 108.800 -0.116 0.000 2.335 563 G HA2 0.687 4.647 3.960 -0.000 0.000 0.316 563 G HA3 0.687 4.647 3.960 -0.000 0.000 0.316 563 G C -0.444 174.423 174.900 -0.055 0.000 1.129 563 G CA -0.644 44.030 45.100 -0.709 0.000 0.899 563 G HN 0.497 nan 8.290 nan 0.000 0.448 564 R N 0.510 120.988 120.500 -0.038 0.000 2.514 564 R HA 0.414 4.754 4.340 -0.000 0.000 0.301 564 R C -1.161 175.117 176.300 -0.036 0.000 0.962 564 R CA -0.830 55.299 56.100 0.049 0.000 0.882 564 R CB 1.913 32.198 30.300 -0.025 0.000 1.143 564 R HN 0.747 nan 8.270 nan 0.000 0.452 565 H N 1.233 120.059 119.070 -0.406 0.000 2.854 565 H HA 0.429 4.985 4.556 -0.000 0.000 0.275 565 H C -0.955 174.136 175.328 -0.394 0.000 1.198 565 H CA -0.380 55.247 56.048 -0.702 0.000 1.489 565 H CB 0.862 29.599 29.762 -1.708 0.000 1.519 565 H HN 0.772 nan 8.280 nan 0.000 0.503 566 A N 3.064 125.757 122.820 -0.211 0.000 2.407 566 A HA 0.286 4.606 4.320 -0.000 0.000 0.248 566 A C 0.728 178.263 177.584 -0.081 0.000 1.082 566 A CA 0.211 52.179 52.037 -0.115 0.000 0.785 566 A CB 0.148 19.083 19.000 -0.109 0.000 1.020 566 A HN 1.002 nan 8.150 nan 0.000 0.489 567 E N -0.703 119.469 120.200 -0.047 0.000 3.169 567 E HA -0.172 4.178 4.350 -0.000 0.000 0.305 567 E C -0.067 176.513 176.600 -0.034 0.000 0.912 567 E CA 1.081 57.458 56.400 -0.039 0.000 1.029 567 E CB -0.824 28.848 29.700 -0.047 0.000 1.514 567 E HN 0.795 nan 8.360 nan 0.000 0.412 568 K N -0.336 120.024 120.400 -0.068 0.000 2.200 568 K HA -0.045 4.275 4.320 -0.000 0.000 0.138 568 K C -0.189 176.290 176.600 -0.202 0.000 1.827 568 K CA 1.393 57.538 56.287 -0.237 0.000 1.007 568 K CB -0.189 31.992 32.500 -0.532 0.000 1.824 568 K HN 0.328 nan 8.250 nan 0.000 0.423 569 Q N 0.914 120.648 119.800 -0.111 0.000 0.976 569 Q HA -0.318 4.022 4.340 -0.000 0.000 0.388 569 Q C -0.971 174.978 176.000 -0.085 0.000 1.040 569 Q CA 1.887 57.639 55.803 -0.084 0.000 0.466 569 Q CB -1.359 27.339 28.738 -0.067 0.000 5.189 569 Q HN 0.520 nan 8.270 nan 0.000 0.463 570 E N -1.297 118.885 120.200 -0.030 0.000 7.586 570 E HA -0.209 4.141 4.350 -0.000 0.000 0.459 570 E C -1.461 175.188 176.600 0.081 0.000 0.356 570 E CA 0.588 57.006 56.400 0.030 0.000 0.644 570 E CB -0.695 29.047 29.700 0.070 0.000 0.967 570 E HN 0.721 nan 8.360 nan 0.000 0.271 571 I N 1.813 122.454 120.570 0.119 0.000 3.205 571 I HA 0.545 4.714 4.170 -0.000 0.000 0.310 571 I C -0.400 175.842 176.117 0.207 0.000 1.089 571 I CA -0.348 61.050 61.300 0.165 0.000 1.023 571 I CB 1.877 39.921 38.000 0.073 0.000 1.269 571 I HN 0.600 nan 8.210 nan 0.000 0.512 572 S N 3.055 118.841 115.700 0.142 0.000 2.750 572 S HA 0.488 4.957 4.470 -0.000 0.000 0.276 572 S C -1.457 173.136 174.600 -0.012 0.000 1.165 572 S CA -0.520 57.691 58.200 0.018 0.000 1.047 572 S CB 0.965 64.079 63.200 -0.143 0.000 1.056 572 S HN 0.294 nan 8.310 nan 0.000 0.481 573 V N 4.988 124.885 119.914 -0.028 0.000 2.357 573 V HA 0.819 4.939 4.120 -0.000 0.000 0.284 573 V C 0.973 177.038 176.094 -0.048 0.000 1.018 573 V CA 0.159 62.444 62.300 -0.024 0.000 0.841 573 V CB 1.079 32.891 31.823 -0.019 0.000 0.991 573 V HN 0.969 nan 8.190 nan 0.000 0.437 574 G N 3.152 111.931 108.800 -0.035 0.000 3.140 574 G HA2 0.878 4.838 3.960 -0.000 0.000 0.271 574 G HA3 0.878 4.838 3.960 -0.000 0.000 0.271 574 G C -0.710 174.170 174.900 -0.035 0.000 1.370 574 G CA -0.156 44.920 45.100 -0.040 0.000 1.014 574 G HN 1.094 nan 8.290 nan 0.000 0.541 575 S N -1.675 114.006 115.700 -0.032 0.000 2.580 575 S HA 0.551 5.021 4.470 -0.000 0.000 0.281 575 S C -1.677 172.895 174.600 -0.046 0.000 1.129 575 S CA -0.736 57.437 58.200 -0.046 0.000 0.862 575 S CB 1.028 64.203 63.200 -0.042 0.000 1.090 575 S HN 0.692 nan 8.310 nan 0.000 0.451 576 I N 2.625 123.154 120.570 -0.069 0.000 2.418 576 I HA 0.426 4.596 4.170 -0.000 0.000 0.287 576 I C -0.683 175.375 176.117 -0.098 0.000 1.008 576 I CA -0.611 60.647 61.300 -0.070 0.000 1.104 576 I CB 1.847 39.806 38.000 -0.067 0.000 1.264 576 I HN 0.635 nan 8.210 nan 0.000 0.438 577 N N 8.342 126.977 118.700 -0.109 0.000 2.511 577 N HA 0.423 5.163 4.740 -0.000 0.000 0.249 577 N C -1.148 174.247 175.510 -0.191 0.000 0.971 577 N CA -0.504 52.455 53.050 -0.152 0.000 0.938 577 N CB 1.892 40.282 38.487 -0.162 0.000 1.131 577 N HN 0.351 nan 8.380 nan 0.000 0.505 578 L N 2.126 123.258 121.223 -0.151 0.000 2.257 578 L HA 0.492 4.832 4.340 -0.000 0.000 0.290 578 L C -0.160 176.646 176.870 -0.107 0.000 1.044 578 L CA -0.786 53.981 54.840 -0.121 0.000 0.810 578 L CB 1.296 43.309 42.059 -0.075 0.000 1.193 578 L HN 0.045 nan 8.230 nan 0.000 0.425 579 V N 1.881 121.726 119.914 -0.116 0.000 2.409 579 V HA 0.264 4.384 4.120 -0.000 0.000 0.291 579 V C -0.552 175.619 176.094 0.128 0.000 1.020 579 V CA -0.518 61.782 62.300 0.000 0.000 0.848 579 V CB 1.917 33.726 31.823 -0.023 0.000 0.990 579 V HN 0.621 nan 8.190 nan 0.000 0.430 580 D N 5.168 125.649 120.400 0.134 0.000 2.428 580 D HA 0.382 5.022 4.640 -0.000 0.000 0.221 580 D C -0.015 176.411 176.300 0.210 0.000 1.123 580 D CA -0.102 53.985 54.000 0.145 0.000 0.869 580 D CB 0.831 41.684 40.800 0.088 0.000 1.032 580 D HN 0.370 nan 8.370 nan 0.000 0.506 581 L N 1.655 123.039 121.223 0.269 0.000 2.476 581 L HA 0.367 4.707 4.340 -0.000 0.000 0.255 581 L C 1.127 178.124 176.870 0.211 0.000 1.218 581 L CA -0.759 54.301 54.840 0.366 0.000 0.819 581 L CB 0.454 42.722 42.059 0.347 0.000 1.119 581 L HN 0.365 nan 8.230 nan 0.000 0.485 582 A N 0.416 123.351 122.820 0.190 0.000 2.351 582 A HA 0.491 4.811 4.320 -0.000 0.000 0.257 582 A C 0.448 177.984 177.584 -0.080 0.000 1.087 582 A CA 0.014 51.978 52.037 -0.121 0.000 0.798 582 A CB 0.217 18.959 19.000 -0.431 0.000 1.033 582 A HN 0.777 nan 8.150 nan 0.000 0.488 583 G N 0.123 108.868 108.800 -0.091 0.000 2.414 583 G HA2 0.332 4.292 3.960 -0.000 0.000 0.236 583 G HA3 0.332 4.292 3.960 -0.000 0.000 0.236 583 G C 0.944 175.754 174.900 -0.150 0.000 1.293 583 G CA 0.392 45.425 45.100 -0.111 0.000 0.869 583 G HN 1.420 nan 8.290 nan 0.000 0.556 584 S N 0.547 116.106 115.700 -0.236 0.000 2.575 584 S HA 0.052 4.522 4.470 -0.000 0.000 0.215 584 S C 0.936 175.476 174.600 -0.100 0.000 0.966 584 S CA 0.120 58.178 58.200 -0.237 0.000 0.911 584 S CB -0.118 62.791 63.200 -0.484 0.000 0.780 584 S HN 0.814 nan 8.310 nan 0.000 0.514 585 E N 1.787 121.948 120.200 -0.064 0.000 2.442 585 E HA 0.167 4.517 4.350 -0.000 0.000 0.260 585 E C -0.514 176.080 176.600 -0.010 0.000 1.148 585 E CA -0.039 56.351 56.400 -0.018 0.000 0.976 585 E CB 0.295 29.993 29.700 -0.003 0.000 0.967 585 E HN 0.082 nan 8.360 nan 0.000 0.454 586 S N 1.385 117.089 115.700 0.007 0.000 2.632 586 S HA 0.330 4.800 4.470 -0.000 0.000 0.267 586 S C -1.650 172.956 174.600 0.009 0.000 1.276 586 S CA -1.015 57.190 58.200 0.009 0.000 0.998 586 S CB 0.459 63.670 63.200 0.018 0.000 0.953 586 S HN 0.545 nan 8.310 nan 0.000 0.547 599 I N 0.958 121.482 120.570 -0.076 0.000 2.493 599 I HA -0.118 4.052 4.170 -0.000 0.000 0.254 599 I C 0.851 176.931 176.117 -0.062 0.000 1.160 599 I CA 1.612 62.842 61.300 -0.116 0.000 1.445 599 I CB -0.896 37.051 38.000 -0.088 0.000 1.086 599 I HN 0.636 nan 8.210 nan 0.000 0.433 600 N N 0.010 118.701 118.700 -0.015 0.000 2.377 600 N HA 0.003 4.742 4.740 -0.000 0.000 0.259 600 N C 1.279 176.820 175.510 0.052 0.000 1.332 600 N CA -0.274 52.795 53.050 0.032 0.000 0.877 600 N CB 0.050 38.547 38.487 0.016 0.000 1.299 600 N HN 0.153 nan 8.380 nan 0.000 0.501 601 R N 1.109 121.632 120.500 0.038 0.000 2.097 601 R HA -0.056 4.284 4.340 -0.000 0.000 0.236 601 R C 1.580 177.906 176.300 0.044 0.000 1.135 601 R CA 2.303 58.421 56.100 0.029 0.000 0.934 601 R CB -0.389 29.922 30.300 0.020 0.000 0.846 601 R HN 0.110 nan 8.270 nan 0.000 0.431 602 S N 0.361 116.110 115.700 0.081 0.000 2.389 602 S HA -0.208 4.262 4.470 -0.000 0.000 0.231 602 S C 1.676 176.271 174.600 -0.008 0.000 1.052 602 S CA 1.631 59.859 58.200 0.047 0.000 1.053 602 S CB -0.393 62.858 63.200 0.084 0.000 0.886 602 S HN 0.378 nan 8.310 nan 0.000 0.456 603 L N 1.155 122.435 121.223 0.095 0.000 2.179 603 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 603 L C 2.369 179.240 176.870 0.002 0.000 1.096 603 L CA 1.865 56.752 54.840 0.080 0.000 0.779 603 L CB -0.758 41.426 42.059 0.208 0.000 0.922 603 L HN 0.359 nan 8.230 nan 0.000 0.443 604 S N -1.014 114.687 115.700 0.003 0.000 2.357 604 S HA -0.136 4.334 4.470 -0.000 0.000 0.221 604 S C 1.856 176.426 174.600 -0.050 0.000 1.031 604 S CA 1.004 59.187 58.200 -0.028 0.000 0.982 604 S CB -0.422 62.770 63.200 -0.013 0.000 0.853 604 S HN 0.499 nan 8.310 nan 0.000 0.458 605 E N 1.307 121.484 120.200 -0.037 0.000 2.204 605 E HA 0.016 4.365 4.350 -0.000 0.000 0.194 605 E C 2.041 178.596 176.600 -0.074 0.000 0.989 605 E CA 0.424 56.795 56.400 -0.048 0.000 0.824 605 E CB -0.544 29.140 29.700 -0.027 0.000 0.756 605 E HN 0.495 nan 8.360 nan 0.000 0.477 606 L N 0.833 122.004 121.223 -0.086 0.000 2.141 606 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 606 L C 1.931 178.708 176.870 -0.156 0.000 1.094 606 L CA 1.365 56.129 54.840 -0.127 0.000 0.763 606 L CB -0.414 41.545 42.059 -0.166 0.000 0.908 606 L HN 0.105 nan 8.230 nan 0.000 0.437 607 T N 0.375 114.827 114.554 -0.170 0.000 2.777 607 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 607 T C 1.618 176.275 174.700 -0.071 0.000 1.040 607 T CA 1.369 63.338 62.100 -0.218 0.000 1.141 607 T CB -0.038 68.628 68.868 -0.337 0.000 0.868 607 T HN 0.387 nan 8.240 nan 0.000 0.444 608 N N 0.944 119.598 118.700 -0.075 0.000 2.084 608 N HA -0.053 4.687 4.740 -0.000 0.000 0.190 608 N C 1.979 177.444 175.510 -0.075 0.000 1.030 608 N CA 0.778 53.794 53.050 -0.056 0.000 0.849 608 N CB -0.910 37.541 38.487 -0.061 0.000 1.012 608 N HN 0.178 nan 8.380 nan 0.000 0.423 609 V N 2.291 122.134 119.914 -0.118 0.000 2.255 609 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 609 V C 2.350 178.380 176.094 -0.107 0.000 1.051 609 V CA 1.225 63.417 62.300 -0.180 0.000 1.018 609 V CB -0.413 31.276 31.823 -0.224 0.000 0.641 609 V HN 0.253 nan 8.190 nan 0.000 0.445 610 I N -0.451 120.083 120.570 -0.060 0.000 2.127 610 I HA -0.262 3.908 4.170 -0.000 0.000 0.241 610 I C 2.427 178.537 176.117 -0.012 0.000 1.075 610 I CA 1.918 63.207 61.300 -0.019 0.000 1.334 610 I CB -0.768 37.243 38.000 0.018 0.000 1.040 610 I HN 0.301 nan 8.210 nan 0.000 0.405 611 L N 0.637 121.873 121.223 0.021 0.000 2.083 611 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 611 L C 2.859 179.715 176.870 -0.024 0.000 1.083 611 L CA 1.320 56.162 54.840 0.004 0.000 0.752 611 L CB -0.688 41.398 42.059 0.045 0.000 0.899 611 L HN 0.223 nan 8.230 nan 0.000 0.433 612 A N 0.070 122.869 122.820 -0.035 0.000 1.898 612 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 612 A C 2.246 179.809 177.584 -0.035 0.000 1.181 612 A CA 1.266 53.278 52.037 -0.041 0.000 0.620 612 A CB -0.661 18.298 19.000 -0.068 0.000 0.819 612 A HN 0.344 nan 8.150 nan 0.000 0.442 613 L N -0.666 120.535 121.223 -0.036 0.000 2.131 613 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 613 L C 2.507 179.369 176.870 -0.013 0.000 1.092 613 L CA 0.908 55.743 54.840 -0.008 0.000 0.759 613 L CB -0.410 41.659 42.059 0.017 0.000 0.903 613 L HN 0.398 nan 8.230 nan 0.000 0.435 614 L N -0.875 120.329 121.223 -0.030 0.000 2.141 614 L HA -0.192 4.147 4.340 -0.000 0.000 0.209 614 L C 2.025 178.872 176.870 -0.038 0.000 1.094 614 L CA 1.082 55.895 54.840 -0.045 0.000 0.763 614 L CB -0.197 41.819 42.059 -0.072 0.000 0.908 614 L HN 0.346 nan 8.230 nan 0.000 0.437 615 Q N 0.140 119.922 119.800 -0.031 0.000 2.322 615 Q HA 0.007 4.347 4.340 -0.000 0.000 0.203 615 Q C -0.276 175.715 176.000 -0.014 0.000 0.923 615 Q CA -0.138 55.651 55.803 -0.024 0.000 0.949 615 Q CB 0.321 29.047 28.738 -0.021 0.000 1.039 615 Q HN 0.164 nan 8.270 nan 0.000 0.496 616 K N 1.206 121.600 120.400 -0.010 0.000 3.311 616 K HA -0.222 4.097 4.320 -0.000 0.000 0.270 616 K C -0.735 175.870 176.600 0.007 0.000 0.927 616 K CA 0.753 57.040 56.287 0.001 0.000 0.706 616 K CB -1.421 31.078 32.500 -0.001 0.000 1.418 616 K HN 0.528 nan 8.250 nan 0.000 0.459 617 Q N 0.352 120.156 119.800 0.007 0.000 2.314 617 Q HA 0.020 4.360 4.340 -0.000 0.000 0.258 617 Q C 0.916 176.937 176.000 0.034 0.000 0.954 617 Q CA -0.329 55.485 55.803 0.017 0.000 0.890 617 Q CB 0.767 29.512 28.738 0.012 0.000 1.210 617 Q HN 0.095 nan 8.270 nan 0.000 0.410 618 D N 0.170 120.600 120.400 0.049 0.000 2.144 618 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 618 D C 0.120 176.479 176.300 0.099 0.000 0.978 618 D CA 1.503 55.542 54.000 0.065 0.000 0.833 618 D CB 0.230 41.069 40.800 0.066 0.000 0.961 618 D HN 0.384 nan 8.370 nan 0.000 0.470 619 H N 0.326 119.407 119.070 0.018 0.000 2.658 619 H HA 0.252 4.808 4.556 -0.000 0.000 0.337 619 H C -1.013 174.314 175.328 -0.001 0.000 1.009 619 H CA -0.600 55.464 56.048 0.026 0.000 1.231 619 H CB 0.598 30.371 29.762 0.019 0.000 1.508 619 H HN -0.206 nan 8.280 nan 0.000 0.517 620 I N 7.750 128.168 120.570 -0.253 0.000 2.354 620 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 620 I C -2.253 173.702 176.117 -0.270 0.000 0.989 620 I CA -2.467 58.687 61.300 -0.243 0.000 1.188 620 I CB 1.510 39.260 38.000 -0.416 0.000 1.342 620 I HN 0.458 nan 8.210 nan 0.000 0.457 621 P HA 0.201 nan 4.420 nan 0.000 0.232 621 P C 0.136 177.396 177.300 -0.067 0.000 1.814 621 P CA -0.168 62.964 63.100 0.053 0.000 1.085 621 P CB -0.041 31.705 31.700 0.077 0.000 1.901 622 Y N 1.491 121.785 120.300 -0.009 0.000 2.163 622 Y HA -0.067 4.483 4.550 -0.000 0.000 0.288 622 Y C 2.481 178.362 175.900 -0.032 0.000 1.136 622 Y CA 1.265 59.368 58.100 0.006 0.000 1.147 622 Y CB -0.534 37.948 38.460 0.037 0.000 0.987 622 Y HN 0.108 nan 8.280 nan 0.000 0.509 623 R N 0.789 121.303 120.500 0.023 0.000 2.397 623 R HA -0.135 4.205 4.340 -0.000 0.000 0.213 623 R C 1.286 177.526 176.300 -0.100 0.000 1.102 623 R CA 0.455 56.405 56.100 -0.250 0.000 1.040 623 R CB -0.372 29.727 30.300 -0.334 0.000 0.844 623 R HN 0.292 nan 8.270 nan 0.000 0.478 624 N N -0.342 118.347 118.700 -0.018 0.000 2.453 624 N HA -0.074 4.666 4.740 -0.000 0.000 0.183 624 N C -0.116 175.396 175.510 0.004 0.000 1.041 624 N CA 0.933 53.977 53.050 -0.011 0.000 0.900 624 N CB 0.308 38.787 38.487 -0.013 0.000 0.961 624 N HN 0.222 nan 8.380 nan 0.000 0.443 625 S N -2.246 113.473 115.700 0.031 0.000 2.588 625 S HA 0.420 4.890 4.470 -0.000 0.000 0.269 625 S C 0.405 175.067 174.600 0.103 0.000 1.157 625 S CA -0.823 57.408 58.200 0.051 0.000 0.824 625 S CB 1.459 64.681 63.200 0.037 0.000 1.126 625 S HN -0.198 nan 8.310 nan 0.000 0.464 626 K N 0.084 120.542 120.400 0.097 0.000 2.063 626 K HA 0.059 4.379 4.320 -0.000 0.000 0.208 626 K C 1.864 178.529 176.600 0.109 0.000 1.048 626 K CA 1.788 58.143 56.287 0.113 0.000 0.928 626 K CB -0.544 32.009 32.500 0.089 0.000 0.713 626 K HN 0.538 nan 8.250 nan 0.000 0.442 627 L N 0.432 121.701 121.223 0.076 0.000 2.072 627 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 627 L C 2.069 179.006 176.870 0.111 0.000 1.079 627 L CA 2.256 57.126 54.840 0.050 0.000 0.752 627 L CB -1.016 40.989 42.059 -0.091 0.000 0.906 627 L HN 0.426 nan 8.230 nan 0.000 0.436 628 T N -4.181 110.449 114.554 0.128 0.000 2.821 628 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 628 T C 1.997 176.891 174.700 0.323 0.000 1.046 628 T CA 1.548 63.773 62.100 0.208 0.000 1.139 628 T CB -0.954 67.996 68.868 0.136 0.000 0.871 628 T HN 0.606 nan 8.240 nan 0.000 0.454 629 H N 0.153 119.305 119.070 0.137 0.000 2.423 629 H HA 0.062 4.618 4.556 -0.000 0.000 0.297 629 H C 2.216 177.573 175.328 0.049 0.000 1.075 629 H CA 1.036 57.145 56.048 0.101 0.000 1.342 629 H CB -0.013 29.784 29.762 0.058 0.000 1.395 629 H HN 0.316 nan 8.280 nan 0.000 0.530 630 L N 0.649 121.900 121.223 0.045 0.000 2.109 630 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 630 L C 1.711 178.577 176.870 -0.007 0.000 1.086 630 L CA 1.199 56.009 54.840 -0.049 0.000 0.760 630 L CB -0.047 42.006 42.059 -0.010 0.000 0.910 630 L HN 0.259 nan 8.230 nan 0.000 0.437 631 L N -1.166 120.102 121.223 0.076 0.000 2.592 631 L HA 0.044 4.384 4.340 -0.000 0.000 0.227 631 L C 2.224 179.139 176.870 0.074 0.000 1.127 631 L CA 0.106 55.000 54.840 0.091 0.000 0.884 631 L CB -0.326 41.847 42.059 0.189 0.000 1.065 631 L HN 0.389 nan 8.230 nan 0.000 0.457 632 M N 1.924 121.539 119.600 0.025 0.000 2.113 632 M HA -0.188 4.292 4.480 -0.000 0.000 0.255 632 M C -0.657 175.480 176.300 -0.272 0.000 1.073 632 M CA 2.435 57.568 55.300 -0.279 0.000 1.091 632 M CB -0.814 31.566 32.600 -0.367 0.000 1.309 632 M HN 0.022 nan 8.290 nan 0.000 0.407 633 P HA 0.005 nan 4.420 nan 0.000 0.230 633 P C 0.263 177.534 177.300 -0.048 0.000 1.158 633 P CA 1.185 64.223 63.100 -0.103 0.000 0.769 633 P CB -0.029 31.629 31.700 -0.071 0.000 0.807 634 S N -0.941 114.750 115.700 -0.015 0.000 2.602 634 S HA 0.301 4.770 4.470 -0.000 0.000 0.240 634 S C 1.069 175.716 174.600 0.079 0.000 0.992 634 S CA -0.240 57.976 58.200 0.026 0.000 0.971 634 S CB -0.087 63.122 63.200 0.014 0.000 0.855 634 S HN 0.113 nan 8.310 nan 0.000 0.481 635 L N 1.020 122.298 121.223 0.092 0.000 3.069 635 L HA 0.337 4.677 4.340 -0.000 0.000 0.271 635 L C 1.535 178.493 176.870 0.147 0.000 1.201 635 L CA -0.347 54.602 54.840 0.181 0.000 1.015 635 L CB 0.052 42.316 42.059 0.341 0.000 1.371 635 L HN 0.371 nan 8.230 nan 0.000 0.574 636 G N -0.002 108.835 108.800 0.063 0.000 2.335 636 G HA2 0.144 4.103 3.960 -0.000 0.000 0.285 636 G HA3 0.144 4.103 3.960 -0.000 0.000 0.285 636 G C 1.066 176.010 174.900 0.074 0.000 1.448 636 G CA 0.412 45.539 45.100 0.046 0.000 1.070 636 G HN 0.248 nan 8.290 nan 0.000 0.564 637 G N -0.311 108.525 108.800 0.061 0.000 2.496 637 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 637 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 637 G C 1.529 176.478 174.900 0.081 0.000 1.234 637 G CA 0.770 45.909 45.100 0.065 0.000 0.807 637 G HN 0.461 nan 8.290 nan 0.000 0.543 638 N N 1.245 120.013 118.700 0.113 0.000 2.520 638 N HA -0.015 4.725 4.740 -0.000 0.000 0.185 638 N C 0.900 176.523 175.510 0.190 0.000 1.068 638 N CA 0.296 53.459 53.050 0.188 0.000 0.911 638 N CB -0.134 38.545 38.487 0.320 0.000 0.961 638 N HN 0.201 nan 8.380 nan 0.000 0.446 639 S N 0.827 116.610 115.700 0.138 0.000 2.568 639 S HA 0.144 4.614 4.470 -0.000 0.000 0.282 639 S C 0.386 175.033 174.600 0.077 0.000 1.338 639 S CA 0.043 58.314 58.200 0.119 0.000 1.045 639 S CB 0.877 64.137 63.200 0.100 0.000 0.873 639 S HN 0.062 nan 8.310 nan 0.000 0.516 640 K N 1.591 122.030 120.400 0.065 0.000 2.292 640 K HA 0.547 4.867 4.320 -0.000 0.000 0.257 640 K C -0.712 175.932 176.600 0.073 0.000 0.940 640 K CA -0.267 56.042 56.287 0.037 0.000 0.811 640 K CB 1.870 34.367 32.500 -0.004 0.000 1.120 640 K HN 0.543 nan 8.250 nan 0.000 0.428 641 T N 2.673 117.280 114.554 0.087 0.000 2.841 641 T HA 0.545 4.895 4.350 -0.000 0.000 0.283 641 T C -1.265 173.514 174.700 0.132 0.000 1.000 641 T CA -0.690 61.502 62.100 0.153 0.000 0.977 641 T CB 0.942 69.942 68.868 0.220 0.000 0.979 641 T HN 0.093 nan 8.240 nan 0.000 0.446 642 L N 3.179 124.519 121.223 0.195 0.000 2.376 642 L HA 0.677 5.017 4.340 -0.000 0.000 0.275 642 L C -0.708 176.327 176.870 0.275 0.000 0.987 642 L CA -0.616 54.331 54.840 0.178 0.000 0.828 642 L CB 1.718 43.923 42.059 0.244 0.000 1.249 642 L HN 0.730 nan 8.230 nan 0.000 0.409 643 M N 4.607 124.289 119.600 0.135 0.000 2.085 643 M HA 0.562 5.042 4.480 -0.000 0.000 0.309 643 M C -1.712 174.677 176.300 0.147 0.000 0.947 643 M CA 0.003 55.450 55.300 0.246 0.000 0.918 643 M CB 0.844 33.528 32.600 0.140 0.000 1.504 643 M HN 0.278 nan 8.290 nan 0.000 0.420 644 F N 5.502 125.643 119.950 0.318 0.000 2.411 644 F HA 0.467 4.994 4.527 -0.000 0.000 0.350 644 F C 0.032 175.988 175.800 0.261 0.000 1.114 644 F CA -0.503 57.671 58.000 0.289 0.000 1.135 644 F CB 0.914 40.050 39.000 0.226 0.000 1.120 644 F HN 0.397 nan 8.300 nan 0.000 0.495 645 I N 3.957 124.729 120.570 0.338 0.000 2.310 645 I HA 0.162 4.332 4.170 -0.000 0.000 0.287 645 I C -0.533 175.721 176.117 0.227 0.000 1.073 645 I CA -0.547 60.935 61.300 0.303 0.000 1.216 645 I CB 0.190 38.306 38.000 0.193 0.000 1.415 645 I HN 0.539 nan 8.210 nan 0.000 0.480 646 N N 4.733 123.581 118.700 0.247 0.000 2.497 646 N HA 0.395 5.135 4.740 -0.000 0.000 0.271 646 N C -0.619 174.948 175.510 0.095 0.000 1.142 646 N CA -0.002 53.132 53.050 0.141 0.000 0.965 646 N CB 1.508 40.068 38.487 0.121 0.000 1.077 646 N HN 0.278 nan 8.380 nan 0.000 0.462 647 V N 1.076 121.003 119.914 0.022 0.000 2.760 647 V HA 0.374 4.494 4.120 -0.000 0.000 0.309 647 V C -0.366 175.680 176.094 -0.080 0.000 1.077 647 V CA -0.925 61.379 62.300 0.005 0.000 0.910 647 V CB 2.071 33.907 31.823 0.022 0.000 1.008 647 V HN 0.654 nan 8.190 nan 0.000 0.424 648 S N 5.249 120.933 115.700 -0.027 0.000 2.586 648 S HA 0.379 4.849 4.470 -0.000 0.000 0.274 648 S C -1.833 172.675 174.600 -0.155 0.000 1.281 648 S CA -0.966 57.166 58.200 -0.113 0.000 1.035 648 S CB 1.494 64.732 63.200 0.063 0.000 0.962 648 S HN 0.768 nan 8.310 nan 0.000 0.512 649 P HA 0.199 nan 4.420 nan 0.000 0.255 649 P C -0.534 176.770 177.300 0.007 0.000 1.248 649 P CA 0.010 62.963 63.100 -0.244 0.000 0.807 649 P CB -0.020 31.325 31.700 -0.593 0.000 1.150 650 F N 0.875 120.979 119.950 0.256 0.000 2.429 650 F HA 0.237 4.764 4.527 -0.000 0.000 0.348 650 F C 2.187 178.129 175.800 0.235 0.000 1.109 650 F CA -0.376 57.751 58.000 0.212 0.000 1.232 650 F CB 0.261 39.338 39.000 0.128 0.000 1.157 650 F HN -0.171 nan 8.300 nan 0.000 0.564 651 Q N 1.999 122.035 119.800 0.392 0.000 2.135 651 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 651 Q C 1.342 177.495 176.000 0.254 0.000 0.981 651 Q CA 2.285 58.254 55.803 0.278 0.000 0.856 651 Q CB -0.471 28.368 28.738 0.168 0.000 0.902 651 Q HN 0.717 nan 8.270 nan 0.000 0.425 652 D N -1.938 118.602 120.400 0.233 0.000 2.378 652 D HA -0.079 4.560 4.640 -0.000 0.000 0.227 652 D C 0.755 177.174 176.300 0.200 0.000 1.012 652 D CA 0.604 54.707 54.000 0.171 0.000 0.905 652 D CB -0.471 40.393 40.800 0.107 0.000 0.895 652 D HN 0.294 nan 8.370 nan 0.000 0.532 653 C N -1.494 117.966 119.300 0.267 0.000 3.230 653 C HA 0.300 4.760 4.460 -0.000 0.000 0.300 653 C C 1.835 176.963 174.990 0.230 0.000 1.292 653 C CA -0.835 58.324 59.018 0.234 0.000 1.707 653 C CB -1.605 26.288 27.740 0.255 0.000 2.181 653 C HN 0.333 nan 8.230 nan 0.000 0.655 654 F N 2.299 122.322 119.950 0.123 0.000 2.063 654 F HA -0.389 4.138 4.527 -0.000 0.000 0.296 654 F C 2.564 178.411 175.800 0.078 0.000 1.093 654 F CA 2.562 60.612 58.000 0.083 0.000 1.229 654 F CB -0.326 38.700 39.000 0.044 0.000 0.971 654 F HN 0.279 nan 8.300 nan 0.000 0.491 655 Q N -0.275 119.703 119.800 0.298 0.000 2.030 655 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 655 Q C 2.188 178.225 176.000 0.062 0.000 0.986 655 Q CA 1.860 57.773 55.803 0.183 0.000 0.843 655 Q CB -0.223 28.624 28.738 0.181 0.000 0.904 655 Q HN 0.414 nan 8.270 nan 0.000 0.420 656 E N -0.230 120.014 120.200 0.074 0.000 2.204 656 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 656 E C 2.030 178.648 176.600 0.030 0.000 0.989 656 E CA 0.574 57.006 56.400 0.054 0.000 0.824 656 E CB -0.031 29.708 29.700 0.066 0.000 0.756 656 E HN 0.199 nan 8.360 nan 0.000 0.477 657 S N 0.365 116.062 115.700 -0.005 0.000 2.345 657 S HA -0.129 4.341 4.470 -0.000 0.000 0.220 657 S C 2.224 176.745 174.600 -0.133 0.000 1.031 657 S CA 1.300 59.481 58.200 -0.032 0.000 0.996 657 S CB -0.201 62.989 63.200 -0.017 0.000 0.882 657 S HN 0.334 nan 8.310 nan 0.000 0.445 658 V N 0.627 120.398 119.914 -0.239 0.000 2.490 658 V HA -0.077 4.043 4.120 -0.000 0.000 0.250 658 V C 1.863 177.895 176.094 -0.105 0.000 1.061 658 V CA 1.548 63.728 62.300 -0.201 0.000 1.064 658 V CB -0.678 31.091 31.823 -0.090 0.000 0.670 658 V HN 0.314 nan 8.190 nan 0.000 0.461 659 K N 0.567 120.951 120.400 -0.026 0.000 2.103 659 K HA -0.109 4.210 4.320 -0.000 0.000 0.207 659 K C 2.474 179.123 176.600 0.083 0.000 1.048 659 K CA 1.795 58.107 56.287 0.041 0.000 0.930 659 K CB -0.295 32.239 32.500 0.058 0.000 0.716 659 K HN 0.585 nan 8.250 nan 0.000 0.444 660 S N 1.216 116.970 115.700 0.088 0.000 2.362 660 S HA -0.000 4.470 4.470 -0.000 0.000 0.221 660 S C 1.901 176.564 174.600 0.105 0.000 1.032 660 S CA 0.787 59.118 58.200 0.219 0.000 0.973 660 S CB -0.056 63.287 63.200 0.238 0.000 0.849 660 S HN 0.163 nan 8.310 nan 0.000 0.465 661 L N 0.862 121.996 121.223 -0.149 0.000 2.275 661 L HA 0.069 4.409 4.340 -0.000 0.000 0.215 661 L C 2.482 179.068 176.870 -0.473 0.000 1.119 661 L CA 0.844 55.428 54.840 -0.427 0.000 0.790 661 L CB -0.338 40.980 42.059 -1.235 0.000 0.919 661 L HN 0.138 nan 8.230 nan 0.000 0.443 662 R N -0.808 119.557 120.500 -0.225 0.000 2.193 662 R HA -0.109 4.231 4.340 -0.000 0.000 0.213 662 R C 2.200 178.548 176.300 0.079 0.000 1.055 662 R CA 0.830 56.945 56.100 0.026 0.000 0.995 662 R CB -0.160 30.200 30.300 0.100 0.000 0.893 662 R HN 0.243 nan 8.270 nan 0.000 0.459 663 F N 1.294 121.189 119.950 -0.093 0.000 2.113 663 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 663 F C 1.997 177.716 175.800 -0.135 0.000 1.103 663 F CA 1.281 59.202 58.000 -0.131 0.000 1.248 663 F CB -0.635 38.216 39.000 -0.249 0.000 0.999 663 F HN -0.077 nan 8.300 nan 0.000 0.475 664 A N 0.186 122.832 122.820 -0.290 0.000 2.121 664 A HA 0.145 4.465 4.320 -0.000 0.000 0.218 664 A C 2.293 179.669 177.584 -0.347 0.000 1.154 664 A CA 1.271 53.060 52.037 -0.414 0.000 0.679 664 A CB -1.373 17.534 19.000 -0.155 0.000 0.795 664 A HN 0.493 nan 8.150 nan 0.000 0.458 665 A N -0.022 122.695 122.820 -0.172 0.000 2.123 665 A HA 0.094 4.413 4.320 -0.000 0.000 0.214 665 A C 2.197 179.730 177.584 -0.086 0.000 1.152 665 A CA 1.489 53.484 52.037 -0.070 0.000 0.728 665 A CB -0.443 18.633 19.000 0.126 0.000 0.814 665 A HN 0.694 nan 8.150 nan 0.000 0.464 666 S N -1.071 114.571 115.700 -0.097 0.000 2.503 666 S HA 0.095 4.565 4.470 -0.000 0.000 0.217 666 S C 1.513 176.028 174.600 -0.141 0.000 0.999 666 S CA 0.691 58.849 58.200 -0.070 0.000 0.914 666 S CB -0.113 63.097 63.200 0.016 0.000 0.782 666 S HN 0.174 nan 8.310 nan 0.000 0.520 667 V N 4.596 124.357 119.914 -0.255 0.000 2.251 667 V HA -0.156 3.964 4.120 -0.000 0.000 0.237 667 V C 2.840 178.808 176.094 -0.209 0.000 1.040 667 V CA 1.893 64.022 62.300 -0.285 0.000 1.005 667 V CB -0.842 30.725 31.823 -0.427 0.000 0.645 667 V HN 0.688 nan 8.190 nan 0.000 0.458 668 N N 1.470 120.035 118.700 -0.225 0.000 2.258 668 N HA -0.204 4.536 4.740 -0.000 0.000 0.187 668 N C 1.769 177.198 175.510 -0.135 0.000 1.012 668 N CA 2.032 54.974 53.050 -0.179 0.000 0.870 668 N CB -0.628 37.737 38.487 -0.203 0.000 0.977 668 N HN 0.593 nan 8.380 nan 0.000 0.434 669 S N -0.491 115.133 115.700 -0.126 0.000 2.469 669 S HA -0.038 4.432 4.470 -0.000 0.000 0.238 669 S C 1.368 175.921 174.600 -0.078 0.000 0.998 669 S CA 0.410 58.555 58.200 -0.091 0.000 0.957 669 S CB -1.037 62.118 63.200 -0.075 0.000 0.764 669 S HN 0.648 nan 8.310 nan 0.000 0.514 670 C N 0.000 119.247 119.300 -0.088 0.000 2.653 670 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 670 C CA 0.000 58.974 59.018 -0.072 0.000 1.963 670 C CB 0.000 27.703 27.740 -0.061 0.000 2.134 670 C HN 0.000 nan 8.230 nan 0.000 0.568