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 1ut9_1_A DATA FIRST_RESID 208 DATA SEQUENCE ILPQPDVRVN QVGYLPEGKK VATVVCNSTQ PVKWQLKNAA GVVVLEGYTE DATA SEQUENCE PKGLDKDSQD YVHWLDFSDF ATEGIGYYFE LPTVNSPTNY SHPFDIRKDI DATA SEQUENCE YTQMKYDALA FFYHKRSGIP IEMPYAGGEQ WTRPAGHIGI EPNKGDTNVP DATA SEQUENCE TWPQDDEYAG IPQKNYTKDV TGGWYDAGDH GKYVVNGGIA VWTLMNMYER DATA SEQUENCE AKIRGLDNWG PYRDGGMNIP EQNNGYPDIL DEARWEIEFF KKMQVTEKED DATA SEQUENCE PSIAGMVHHK IHDFRWTALG MLPHEDPQPR YLRPVSTAAT LNFAATLAQS DATA SEQUENCE ARLWKDYDPT FAADCLEKAE IAWQAALKHP DIYAEYTPGS GGPGGGPYND DATA SEQUENCE DYVGDEFYWA ACELYVTTGK DEYKNYLMNS PHYLEMPAKM GXXXXANGED DATA SEQUENCE NGLWGCFTWG TTQGLGTITL ALVENGLPAT DIQKARNNIA KAADRWLENI DATA SEQUENCE EEQGYRLPIK QAEDERGGYP WGSNSFILNQ MIVMGYAYDF TGDSKYLDGM DATA SEQUENCE FDGISYLLGR NAMDQSYVTG YGERPLQNPH DRFWTPQTSK RFPAPPPGII DATA SEQUENCE SGGPNSRFED PTINAAVKKD TPPQKCFIDH TDSWSTNEIT VNWNAPFAWV DATA SEQUENCE TAYLDQYTD 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 208 I HA 0.000 nan 4.170 nan 0.000 0.288 208 I C 0.000 176.146 176.117 0.048 0.000 1.063 208 I CA 0.000 61.321 61.300 0.035 0.000 1.566 208 I CB 0.000 38.020 38.000 0.033 0.000 1.214 209 L N 8.525 129.782 121.223 0.058 0.000 2.490 209 L HA 0.427 4.767 4.340 -0.001 0.000 0.274 209 L C -1.987 174.950 176.870 0.112 0.000 1.201 209 L CA -0.399 54.495 54.840 0.091 0.000 0.869 209 L CB 0.104 42.222 42.059 0.098 0.000 1.123 209 L HN 0.251 nan 8.230 nan 0.000 0.484 210 P HA 0.089 nan 4.420 nan 0.000 0.269 210 P C -1.507 175.850 177.300 0.094 0.000 1.209 210 P CA -0.116 63.045 63.100 0.101 0.000 0.776 210 P CB 0.297 32.074 31.700 0.128 0.000 0.876 211 Q N 3.258 123.074 119.800 0.026 0.000 2.337 211 Q HA 0.274 4.614 4.340 -0.001 0.000 0.255 211 Q C -2.126 173.786 176.000 -0.147 0.000 0.997 211 Q CA -1.838 53.956 55.803 -0.016 0.000 0.925 211 Q CB 0.027 28.765 28.738 -0.000 0.000 1.212 211 Q HN 0.343 nan 8.270 nan 0.000 0.436 212 P HA -0.031 nan 4.420 nan 0.000 0.269 212 P C -0.165 176.958 177.300 -0.295 0.000 1.209 212 P CA -0.128 62.680 63.100 -0.486 0.000 0.776 212 P CB 0.753 32.135 31.700 -0.530 0.000 0.876 213 D N 0.436 120.645 120.400 -0.319 0.000 2.144 213 D HA -0.070 4.569 4.640 -0.001 0.000 0.199 213 D C 0.363 176.588 176.300 -0.124 0.000 0.984 213 D CA 1.271 55.167 54.000 -0.175 0.000 0.834 213 D CB -0.210 40.488 40.800 -0.170 0.000 0.955 213 D HN 0.098 nan 8.370 nan 0.000 0.465 214 V N 3.259 123.094 119.914 -0.133 0.000 2.353 214 V HA 0.163 4.282 4.120 -0.001 0.000 0.264 214 V C 0.421 176.491 176.094 -0.040 0.000 1.049 214 V CA -0.499 61.735 62.300 -0.110 0.000 0.896 214 V CB 0.786 32.535 31.823 -0.123 0.000 1.025 214 V HN -0.024 nan 8.190 nan 0.000 0.475 215 R N 4.133 124.633 120.500 0.000 0.000 2.221 215 R HA 0.585 4.924 4.340 -0.001 0.000 0.327 215 R C -0.306 176.053 176.300 0.098 0.000 1.033 215 R CA -0.140 56.015 56.100 0.091 0.000 0.887 215 R CB 1.559 31.986 30.300 0.211 0.000 1.057 215 R HN 0.646 nan 8.270 nan 0.000 0.455 216 V N -0.379 119.620 119.914 0.141 0.000 3.141 216 V HA 0.461 4.580 4.120 -0.001 0.000 0.312 216 V C 0.110 176.268 176.094 0.107 0.000 1.157 216 V CA -1.380 61.009 62.300 0.149 0.000 1.041 216 V CB 2.218 34.117 31.823 0.128 0.000 1.071 216 V HN 0.619 nan 8.190 nan 0.000 0.441 217 N N 1.566 120.271 118.700 0.009 0.000 2.434 217 N HA 0.067 4.806 4.740 -0.001 0.000 0.268 217 N C 0.711 176.181 175.510 -0.067 0.000 1.256 217 N CA 0.611 53.568 53.050 -0.155 0.000 0.914 217 N CB 1.143 39.294 38.487 -0.560 0.000 1.088 217 N HN 0.852 nan 8.380 nan 0.000 0.478 218 Q N 2.147 121.960 119.800 0.023 0.000 2.436 218 Q HA -0.014 4.325 4.340 -0.001 0.000 0.209 218 Q C 1.303 177.363 176.000 0.101 0.000 0.965 218 Q CA 0.621 56.481 55.803 0.096 0.000 0.910 218 Q CB 0.547 29.300 28.738 0.026 0.000 0.980 218 Q HN 0.523 nan 8.270 nan 0.000 0.491 219 V N -1.256 118.682 119.914 0.040 0.000 2.403 219 V HA 0.239 4.359 4.120 -0.001 0.000 0.239 219 V C 1.053 177.183 176.094 0.060 0.000 1.041 219 V CA 1.259 63.586 62.300 0.045 0.000 1.051 219 V CB 0.289 32.090 31.823 -0.037 0.000 0.704 219 V HN 0.502 nan 8.190 nan 0.000 0.472 220 G N -1.541 107.193 108.800 -0.111 0.000 2.373 220 G HA2 0.222 4.181 3.960 -0.001 0.000 0.250 220 G HA3 0.222 4.181 3.960 -0.001 0.000 0.250 220 G C -2.084 172.533 174.900 -0.472 0.000 1.304 220 G CA -0.549 44.513 45.100 -0.062 0.000 0.948 220 G HN 0.081 nan 8.290 nan 0.000 0.474 221 Y N -0.337 120.042 120.300 0.132 0.000 2.524 221 Y HA 0.662 5.212 4.550 -0.001 0.000 0.347 221 Y C 0.629 176.522 175.900 -0.011 0.000 1.005 221 Y CA -0.958 57.143 58.100 0.002 0.000 1.025 221 Y CB 1.765 40.208 38.460 -0.029 0.000 1.275 221 Y HN 0.522 nan 8.280 nan 0.000 0.460 222 L N 4.018 125.254 121.223 0.022 0.000 2.467 222 L HA 0.138 4.478 4.340 -0.001 0.000 0.270 222 L C -1.507 175.364 176.870 0.002 0.000 1.205 222 L CA -1.433 53.415 54.840 0.013 0.000 0.828 222 L CB 0.368 42.419 42.059 -0.014 0.000 1.101 222 L HN 0.462 nan 8.230 nan 0.000 0.479 223 P HA -0.142 nan 4.420 nan 0.000 0.215 223 P C -0.180 177.102 177.300 -0.030 0.000 1.157 223 P CA 1.360 64.466 63.100 0.009 0.000 0.874 223 P CB 0.185 31.891 31.700 0.010 0.000 0.790 224 E N 0.061 120.252 120.200 -0.014 0.000 2.216 224 E HA 0.523 4.873 4.350 -0.001 0.000 0.279 224 E C 0.630 177.230 176.600 -0.001 0.000 0.997 224 E CA -0.175 56.227 56.400 0.002 0.000 0.817 224 E CB 1.399 31.128 29.700 0.049 0.000 1.096 224 E HN 0.141 nan 8.360 nan 0.000 0.393 225 G N 1.852 110.659 108.800 0.013 0.000 2.355 225 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.619 225 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.619 225 G C -0.973 173.907 174.900 -0.035 0.000 1.337 225 G CA -1.051 44.111 45.100 0.103 0.000 0.993 225 G HN 0.405 nan 8.290 nan 0.000 0.599 226 K N 0.435 120.883 120.400 0.081 0.000 2.416 226 K HA 0.429 4.748 4.320 -0.001 0.000 0.283 226 K C -0.181 176.296 176.600 -0.205 0.000 1.037 226 K CA 0.335 56.585 56.287 -0.063 0.000 0.995 226 K CB 0.140 32.636 32.500 -0.007 0.000 0.938 226 K HN 0.407 nan 8.250 nan 0.000 0.475 227 K N 3.681 123.802 120.400 -0.465 0.000 2.572 227 K HA 0.299 4.618 4.320 -0.001 0.000 0.244 227 K C -1.548 174.576 176.600 -0.794 0.000 0.965 227 K CA -0.777 54.977 56.287 -0.888 0.000 0.943 227 K CB 1.874 33.298 32.500 -1.794 0.000 1.154 227 K HN 0.201 nan 8.250 nan 0.000 0.447 228 V N 2.047 121.721 119.914 -0.400 0.000 2.483 228 V HA 0.514 4.633 4.120 -0.001 0.000 0.297 228 V C -0.261 175.752 176.094 -0.135 0.000 1.027 228 V CA -0.972 61.160 62.300 -0.279 0.000 0.855 228 V CB 1.560 33.141 31.823 -0.405 0.000 0.995 228 V HN 0.837 nan 8.190 nan 0.000 0.424 229 A N 3.338 126.107 122.820 -0.084 0.000 2.293 229 A HA 0.789 5.108 4.320 -0.001 0.000 0.302 229 A C 0.252 177.781 177.584 -0.092 0.000 1.119 229 A CA -0.343 51.637 52.037 -0.095 0.000 0.823 229 A CB 0.757 19.585 19.000 -0.286 0.000 1.097 229 A HN 0.706 nan 8.150 nan 0.000 0.491 230 T N 1.599 116.133 114.554 -0.033 0.000 2.767 230 T HA 0.478 4.828 4.350 -0.001 0.000 0.284 230 T C -0.432 174.227 174.700 -0.067 0.000 0.973 230 T CA -0.183 61.897 62.100 -0.034 0.000 0.996 230 T CB 0.844 69.580 68.868 -0.220 0.000 0.927 230 T HN 0.401 nan 8.240 nan 0.000 0.456 231 V N 4.581 124.457 119.914 -0.064 0.000 2.347 231 V HA 0.265 4.385 4.120 -0.001 0.000 0.280 231 V C 0.256 176.302 176.094 -0.081 0.000 1.021 231 V CA -0.876 61.368 62.300 -0.093 0.000 0.847 231 V CB 1.464 33.212 31.823 -0.126 0.000 0.990 231 V HN 0.697 nan 8.190 nan 0.000 0.444 232 V N 4.623 124.509 119.914 -0.047 0.000 2.415 232 V HA 0.234 4.353 4.120 -0.001 0.000 0.267 232 V C 0.186 176.249 176.094 -0.052 0.000 1.042 232 V CA 0.098 62.395 62.300 -0.004 0.000 1.000 232 V CB 0.572 32.425 31.823 0.049 0.000 1.015 232 V HN 1.023 nan 8.190 nan 0.000 0.478 233 C N 5.579 124.854 119.300 -0.041 0.000 2.871 233 C HA 0.405 4.865 4.460 -0.001 0.000 0.378 233 C C 1.164 176.175 174.990 0.035 0.000 1.052 233 C CA -0.743 58.202 59.018 -0.122 0.000 1.250 233 C CB 1.398 28.876 27.740 -0.436 0.000 1.689 233 C HN 0.855 nan 8.230 nan 0.000 0.506 234 N N 1.635 120.315 118.700 -0.034 0.000 2.459 234 N HA -0.014 4.725 4.740 -0.001 0.000 0.181 234 N C 0.868 176.258 175.510 -0.200 0.000 1.046 234 N CA 0.745 53.697 53.050 -0.163 0.000 0.904 234 N CB 0.146 38.541 38.487 -0.153 0.000 0.964 234 N HN 0.753 nan 8.380 nan 0.000 0.444 235 S N -0.160 115.529 115.700 -0.018 0.000 2.546 235 S HA -0.002 4.468 4.470 -0.001 0.000 0.290 235 S C 1.557 176.285 174.600 0.213 0.000 1.290 235 S CA 0.074 58.316 58.200 0.069 0.000 1.069 235 S CB 0.513 63.783 63.200 0.117 0.000 0.846 235 S HN 0.474 nan 8.310 nan 0.000 0.495 236 T N 2.285 116.891 114.554 0.086 0.000 3.023 236 T HA 0.104 4.453 4.350 -0.001 0.000 0.266 236 T C 0.547 175.311 174.700 0.108 0.000 1.093 236 T CA 0.330 62.506 62.100 0.126 0.000 1.129 236 T CB -0.056 68.837 68.868 0.041 0.000 0.899 236 T HN 0.582 nan 8.240 nan 0.000 0.491 237 Q N 1.730 121.602 119.800 0.120 0.000 2.205 237 Q HA 0.483 4.823 4.340 -0.001 0.000 0.249 237 Q C -2.788 173.324 176.000 0.186 0.000 0.948 237 Q CA -3.031 52.831 55.803 0.098 0.000 0.895 237 Q CB 0.608 29.391 28.738 0.075 0.000 1.249 237 Q HN 0.150 nan 8.270 nan 0.000 0.458 238 P HA -0.011 nan 4.420 nan 0.000 0.267 238 P C -0.678 176.833 177.300 0.351 0.000 1.200 238 P CA 0.005 63.263 63.100 0.264 0.000 0.772 238 P CB 0.480 32.300 31.700 0.200 0.000 0.855 239 V N -0.319 119.824 119.914 0.381 0.000 2.769 239 V HA 0.521 4.640 4.120 -0.001 0.000 0.312 239 V C -0.115 176.042 176.094 0.105 0.000 1.061 239 V CA -1.352 61.096 62.300 0.247 0.000 0.931 239 V CB 1.869 33.769 31.823 0.129 0.000 1.010 239 V HN 0.345 nan 8.190 nan 0.000 0.433 240 K N 4.279 124.580 120.400 -0.165 0.000 2.382 240 K HA 0.266 4.585 4.320 -0.001 0.000 0.275 240 K C -0.621 175.864 176.600 -0.192 0.000 1.009 240 K CA -0.348 55.581 56.287 -0.597 0.000 0.970 240 K CB 0.559 32.739 32.500 -0.535 0.000 0.934 240 K HN 0.924 nan 8.250 nan 0.000 0.479 241 W N 3.044 124.187 121.300 -0.262 0.000 2.950 241 W HA 0.406 5.065 4.660 -0.001 0.000 0.340 241 W C -1.463 175.009 176.519 -0.079 0.000 1.139 241 W CA -0.985 56.295 57.345 -0.109 0.000 1.188 241 W CB 0.746 30.161 29.460 -0.075 0.000 1.426 241 W HN 0.453 nan 8.180 nan 0.000 0.531 242 Q N 2.679 122.694 119.800 0.358 0.000 2.337 242 Q HA 0.471 4.811 4.340 -0.001 0.000 0.270 242 Q C -0.994 175.154 176.000 0.247 0.000 1.043 242 Q CA -1.036 54.871 55.803 0.173 0.000 0.794 242 Q CB 3.535 32.268 28.738 -0.008 0.000 1.281 242 Q HN 0.440 nan 8.270 nan 0.000 0.446 243 L N 3.039 124.307 121.223 0.075 0.000 2.264 243 L HA 0.464 4.803 4.340 -0.001 0.000 0.289 243 L C -0.861 175.763 176.870 -0.409 0.000 1.044 243 L CA -0.190 54.396 54.840 -0.424 0.000 0.807 243 L CB 0.703 42.381 42.059 -0.635 0.000 1.192 243 L HN 0.525 nan 8.230 nan 0.000 0.425 244 K N 4.044 124.108 120.400 -0.559 0.000 2.203 244 K HA 0.341 4.661 4.320 -0.001 0.000 0.251 244 K C -0.372 176.014 176.600 -0.356 0.000 0.944 244 K CA -0.683 55.305 56.287 -0.497 0.000 0.829 244 K CB 1.919 33.963 32.500 -0.761 0.000 1.125 244 K HN 0.685 nan 8.250 nan 0.000 0.430 245 N N 0.212 118.832 118.700 -0.134 0.000 2.364 245 N HA 0.118 4.858 4.740 -0.001 0.000 0.264 245 N C 0.759 176.230 175.510 -0.065 0.000 1.263 245 N CA -0.433 52.551 53.050 -0.110 0.000 0.959 245 N CB 0.781 39.220 38.487 -0.079 0.000 1.204 245 N HN 0.480 nan 8.380 nan 0.000 0.550 246 A N -0.181 122.581 122.820 -0.097 0.000 2.024 246 A HA -0.079 4.240 4.320 -0.001 0.000 0.220 246 A C 2.036 179.647 177.584 0.045 0.000 1.164 246 A CA 1.651 53.692 52.037 0.006 0.000 0.643 246 A CB -1.037 17.914 19.000 -0.081 0.000 0.806 246 A HN 0.809 nan 8.150 nan 0.000 0.451 247 A N -1.859 120.966 122.820 0.009 0.000 2.238 247 A HA 0.420 4.739 4.320 -0.001 0.000 0.208 247 A C 1.762 179.371 177.584 0.041 0.000 1.177 247 A CA 1.115 53.160 52.037 0.014 0.000 0.804 247 A CB -0.941 18.054 19.000 -0.008 0.000 0.823 247 A HN 1.843 nan 8.150 nan 0.000 0.482 248 G N -1.558 107.291 108.800 0.082 0.000 2.159 248 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.256 248 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.256 248 G C 0.181 175.075 174.900 -0.011 0.000 0.977 248 G CA 0.184 45.334 45.100 0.083 0.000 0.652 248 G HN 0.780 nan 8.290 nan 0.000 0.531 249 V N 1.345 121.241 119.914 -0.030 0.000 2.498 249 V HA 0.415 4.535 4.120 -0.001 0.000 0.279 249 V C 1.212 177.264 176.094 -0.069 0.000 1.048 249 V CA -0.605 61.674 62.300 -0.035 0.000 0.967 249 V CB 1.738 33.553 31.823 -0.013 0.000 0.988 249 V HN 0.246 nan 8.190 nan 0.000 0.473 250 V N 6.521 126.393 119.914 -0.071 0.000 2.446 250 V HA 0.022 4.142 4.120 -0.001 0.000 0.276 250 V C 1.041 177.096 176.094 -0.064 0.000 1.030 250 V CA 0.603 62.846 62.300 -0.095 0.000 1.033 250 V CB 1.148 32.920 31.823 -0.086 0.000 0.993 250 V HN 0.859 nan 8.190 nan 0.000 0.477 251 V N 3.251 123.114 119.914 -0.084 0.000 3.660 251 V HA 0.528 4.648 4.120 -0.001 0.000 0.276 251 V C 0.061 176.119 176.094 -0.059 0.000 1.317 251 V CA 0.249 62.538 62.300 -0.019 0.000 1.097 251 V CB 0.370 32.240 31.823 0.078 0.000 0.863 251 V HN 0.558 nan 8.190 nan 0.000 0.438 252 L N 1.221 122.361 121.223 -0.140 0.000 2.672 252 L HA 0.650 4.990 4.340 -0.001 0.000 0.256 252 L C -1.376 175.394 176.870 -0.166 0.000 0.946 252 L CA -0.229 54.545 54.840 -0.111 0.000 0.889 252 L CB 2.175 44.134 42.059 -0.168 0.000 1.441 252 L HN 0.581 nan 8.230 nan 0.000 0.418 253 E N 2.555 122.540 120.200 -0.359 0.000 2.429 253 E HA 0.913 5.263 4.350 -0.001 0.000 0.276 253 E C -0.936 174.931 176.600 -1.222 0.000 0.953 253 E CA -0.602 55.313 56.400 -0.808 0.000 0.787 253 E CB 2.565 31.977 29.700 -0.480 0.000 1.307 253 E HN 0.866 nan 8.360 nan 0.000 0.458 254 G N -0.105 107.579 108.800 -1.860 0.000 2.494 254 G HA2 0.401 4.360 3.960 -0.001 0.000 0.308 254 G HA3 0.401 4.360 3.960 -0.001 0.000 0.308 254 G C -2.108 172.079 174.900 -1.188 0.000 1.263 254 G CA -0.790 43.560 45.100 -1.249 0.000 0.840 254 G HN 0.389 nan 8.290 nan 0.000 0.479 255 Y N 0.055 120.192 120.300 -0.271 0.000 2.536 255 Y HA 0.599 5.148 4.550 -0.001 0.000 0.347 255 Y C 1.071 177.240 175.900 0.449 0.000 1.000 255 Y CA -0.228 57.915 58.100 0.072 0.000 1.051 255 Y CB 2.448 40.933 38.460 0.043 0.000 1.259 255 Y HN 0.762 nan 8.280 nan 0.000 0.468 256 T N -1.653 113.248 114.554 0.579 0.000 2.788 256 T HA 0.370 4.719 4.350 -0.001 0.000 0.287 256 T C -0.469 174.412 174.700 0.302 0.000 1.007 256 T CA -0.923 61.448 62.100 0.452 0.000 1.005 256 T CB 0.752 69.893 68.868 0.456 0.000 1.012 256 T HN 0.595 nan 8.240 nan 0.000 0.530 257 E N 1.766 122.079 120.200 0.188 0.000 2.101 257 E HA 0.319 4.668 4.350 -0.001 0.000 0.260 257 E C -2.716 173.732 176.600 -0.254 0.000 0.897 257 E CA -2.274 54.137 56.400 0.018 0.000 0.744 257 E CB 1.171 30.922 29.700 0.085 0.000 1.140 257 E HN 0.448 nan 8.360 nan 0.000 0.419 258 P HA -0.066 nan 4.420 nan 0.000 0.262 258 P C -0.704 176.259 177.300 -0.562 0.000 1.199 258 P CA 0.237 62.826 63.100 -0.852 0.000 0.763 258 P CB 0.520 31.888 31.700 -0.553 0.000 0.790 259 K N 1.969 121.997 120.400 -0.620 0.000 2.280 259 K HA 0.671 4.990 4.320 -0.001 0.000 0.234 259 K C 0.893 177.088 176.600 -0.675 0.000 1.028 259 K CA -0.760 55.145 56.287 -0.637 0.000 0.882 259 K CB 1.095 33.087 32.500 -0.847 0.000 1.194 259 K HN 0.415 nan 8.250 nan 0.000 0.458 260 G N 0.039 108.460 108.800 -0.631 0.000 2.882 260 G HA2 0.290 4.250 3.960 -0.001 0.000 0.164 260 G HA3 0.290 4.250 3.960 -0.001 0.000 0.164 260 G C -0.826 173.551 174.900 -0.871 0.000 1.429 260 G CA -0.429 44.162 45.100 -0.848 0.000 1.059 260 G HN 0.330 nan 8.290 nan 0.000 0.581 261 L N 1.141 122.099 121.223 -0.441 0.000 2.456 261 L HA 0.318 4.657 4.340 -0.001 0.000 0.277 261 L C -0.305 176.488 176.870 -0.129 0.000 1.124 261 L CA -0.518 54.232 54.840 -0.149 0.000 0.880 261 L CB 0.296 42.378 42.059 0.039 0.000 1.192 261 L HN 0.413 nan 8.230 nan 0.000 0.463 262 D N 3.388 123.732 120.400 -0.094 0.000 2.343 262 D HA 0.047 4.687 4.640 -0.001 0.000 0.255 262 D C 1.087 177.399 176.300 0.020 0.000 1.187 262 D CA 0.084 54.062 54.000 -0.037 0.000 0.875 262 D CB 0.967 41.773 40.800 0.010 0.000 1.136 262 D HN 0.617 nan 8.370 nan 0.000 0.469 263 K N 2.850 123.258 120.400 0.013 0.000 2.032 263 K HA -0.186 4.133 4.320 -0.001 0.000 0.209 263 K C 0.526 177.142 176.600 0.026 0.000 1.048 263 K CA 1.444 57.743 56.287 0.019 0.000 0.927 263 K CB 0.140 32.649 32.500 0.015 0.000 0.712 263 K HN 0.466 nan 8.250 nan 0.000 0.441 264 D N -0.394 120.034 120.400 0.047 0.000 2.269 264 D HA -0.076 4.563 4.640 -0.001 0.000 0.208 264 D C 1.715 177.992 176.300 -0.039 0.000 0.963 264 D CA 1.299 55.298 54.000 -0.001 0.000 0.864 264 D CB 0.296 41.145 40.800 0.083 0.000 0.936 264 D HN 0.357 nan 8.370 nan 0.000 0.505 265 S N -1.265 114.470 115.700 0.057 0.000 2.524 265 S HA 0.001 4.470 4.470 -0.001 0.000 0.222 265 S C 0.795 175.439 174.600 0.072 0.000 1.040 265 S CA -0.264 57.979 58.200 0.072 0.000 0.915 265 S CB 0.551 63.893 63.200 0.237 0.000 0.831 265 S HN -0.108 nan 8.310 nan 0.000 0.492 266 Q N 1.259 121.100 119.800 0.068 0.000 2.461 266 Q HA -0.139 4.201 4.340 -0.001 0.000 0.273 266 Q C -1.396 174.662 176.000 0.097 0.000 1.163 266 Q CA 1.074 56.917 55.803 0.066 0.000 0.929 266 Q CB -2.186 26.580 28.738 0.046 0.000 1.334 266 Q HN 0.655 nan 8.270 nan 0.000 0.499 267 D N -0.254 120.224 120.400 0.131 0.000 2.175 267 D HA 0.273 4.912 4.640 -0.001 0.000 0.248 267 D C -0.217 176.156 176.300 0.122 0.000 1.047 267 D CA -0.432 53.658 54.000 0.151 0.000 0.883 267 D CB 0.501 41.432 40.800 0.219 0.000 1.180 267 D HN 0.063 nan 8.370 nan 0.000 0.438 268 Y N 2.042 122.359 120.300 0.029 0.000 2.436 268 Y HA 0.314 4.863 4.550 -0.001 0.000 0.343 268 Y C -0.029 175.883 175.900 0.021 0.000 1.008 268 Y CA -0.204 57.907 58.100 0.017 0.000 1.241 268 Y CB 0.411 38.885 38.460 0.023 0.000 1.153 268 Y HN 0.137 nan 8.280 nan 0.000 0.521 269 V N 2.898 122.720 119.914 -0.153 0.000 3.001 269 V HA 0.648 4.768 4.120 -0.001 0.000 0.314 269 V C -1.258 174.863 176.094 0.044 0.000 1.099 269 V CA -0.800 61.467 62.300 -0.055 0.000 0.989 269 V CB 1.966 33.661 31.823 -0.213 0.000 1.040 269 V HN 0.719 nan 8.190 nan 0.000 0.434 270 H N 0.719 119.694 119.070 -0.158 0.000 2.710 270 H HA 0.719 5.275 4.556 -0.001 0.000 0.361 270 H C -1.208 174.104 175.328 -0.027 0.000 1.175 270 H CA -0.936 55.030 56.048 -0.137 0.000 1.206 270 H CB 1.343 31.095 29.762 -0.017 0.000 1.750 270 H HN 0.759 nan 8.280 nan 0.000 0.553 271 W N 1.290 122.589 121.300 -0.003 0.000 2.512 271 W HA 0.462 5.122 4.660 -0.001 0.000 0.335 271 W C -0.472 175.997 176.519 -0.084 0.000 1.088 271 W CA -0.781 56.521 57.345 -0.072 0.000 1.236 271 W CB 0.810 30.227 29.460 -0.073 0.000 1.307 271 W HN 0.258 nan 8.180 nan 0.000 0.567 272 L N 3.975 125.208 121.223 0.017 0.000 2.388 272 L HA 0.266 4.606 4.340 -0.001 0.000 0.267 272 L C -0.631 176.128 176.870 -0.186 0.000 0.995 272 L CA -0.319 54.359 54.840 -0.270 0.000 0.864 272 L CB 0.694 42.312 42.059 -0.735 0.000 1.216 272 L HN 0.164 nan 8.230 nan 0.000 0.430 273 D N 4.647 125.028 120.400 -0.032 0.000 2.317 273 D HA 0.201 4.841 4.640 -0.001 0.000 0.234 273 D C -0.215 176.165 176.300 0.133 0.000 1.112 273 D CA -0.098 53.907 54.000 0.010 0.000 0.840 273 D CB 0.808 41.638 40.800 0.049 0.000 1.078 273 D HN 0.431 nan 8.370 nan 0.000 0.486 274 F N 1.189 121.043 119.950 -0.160 0.000 2.835 274 F HA 0.342 4.868 4.527 -0.001 0.000 0.342 274 F C 1.248 177.048 175.800 -0.001 0.000 1.202 274 F CA -0.737 57.242 58.000 -0.035 0.000 1.240 274 F CB -0.009 38.937 39.000 -0.089 0.000 1.005 274 F HN 0.045 nan 8.300 nan 0.000 0.507 275 S N 0.738 116.296 115.700 -0.237 0.000 2.387 275 S HA -0.201 4.268 4.470 -0.001 0.000 0.230 275 S C 1.365 175.915 174.600 -0.083 0.000 1.035 275 S CA 1.982 60.032 58.200 -0.250 0.000 1.014 275 S CB -0.254 62.851 63.200 -0.159 0.000 0.836 275 S HN 0.504 nan 8.310 nan 0.000 0.466 276 D N -0.022 120.400 120.400 0.038 0.000 2.312 276 D HA 0.073 4.713 4.640 -0.001 0.000 0.211 276 D C 0.224 176.597 176.300 0.122 0.000 0.964 276 D CA 0.235 54.281 54.000 0.077 0.000 0.877 276 D CB -0.181 40.685 40.800 0.109 0.000 0.924 276 D HN 0.316 nan 8.370 nan 0.000 0.515 277 F N 0.638 120.612 119.950 0.040 0.000 2.504 277 F HA 0.337 4.864 4.527 -0.001 0.000 0.369 277 F C 0.787 176.593 175.800 0.011 0.000 1.082 277 F CA -0.426 57.610 58.000 0.059 0.000 1.216 277 F CB 0.957 40.043 39.000 0.144 0.000 1.108 277 F HN -0.150 nan 8.300 nan 0.000 0.554 278 A N 3.583 126.080 122.820 -0.538 0.000 2.661 278 A HA 0.218 4.538 4.320 -0.001 0.000 0.278 278 A C 0.259 177.612 177.584 -0.384 0.000 1.090 278 A CA -0.163 51.684 52.037 -0.317 0.000 0.969 278 A CB -0.466 18.438 19.000 -0.160 0.000 1.240 278 A HN 0.558 nan 8.150 nan 0.000 0.578 279 T N 2.391 116.465 114.554 -0.800 0.000 2.752 279 T HA 0.216 4.565 4.350 -0.001 0.000 0.295 279 T C 0.022 174.725 174.700 0.005 0.000 0.923 279 T CA 0.092 61.958 62.100 -0.391 0.000 1.112 279 T CB 0.384 68.990 68.868 -0.438 0.000 0.884 279 T HN 0.453 nan 8.240 nan 0.000 0.525 280 E N 1.762 122.002 120.200 0.067 0.000 2.413 280 E HA 0.435 4.785 4.350 -0.001 0.000 0.263 280 E C 0.569 177.287 176.600 0.197 0.000 1.015 280 E CA -0.210 56.284 56.400 0.157 0.000 0.916 280 E CB 0.668 30.418 29.700 0.082 0.000 0.947 280 E HN 0.819 nan 8.360 nan 0.000 0.440 281 G N 1.751 110.664 108.800 0.188 0.000 2.489 281 G HA2 0.378 4.337 3.960 -0.001 0.000 0.291 281 G HA3 0.378 4.337 3.960 -0.001 0.000 0.291 281 G C -1.560 173.206 174.900 -0.224 0.000 1.487 281 G CA -0.781 44.240 45.100 -0.132 0.000 0.795 281 G HN 0.263 nan 8.290 nan 0.000 0.513 282 I N 0.994 121.369 120.570 -0.324 0.000 2.433 282 I HA 0.586 4.756 4.170 -0.001 0.000 0.292 282 I C 1.160 177.095 176.117 -0.302 0.000 1.001 282 I CA 0.460 61.634 61.300 -0.210 0.000 1.119 282 I CB 0.765 38.697 38.000 -0.113 0.000 1.289 282 I HN 1.708 nan 8.210 nan 0.000 0.438 283 G N 5.055 113.728 108.800 -0.211 0.000 2.160 283 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.244 283 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.244 283 G C 0.066 174.855 174.900 -0.186 0.000 1.022 283 G CA -0.243 44.764 45.100 -0.154 0.000 0.741 283 G HN 0.587 nan 8.290 nan 0.000 0.508 284 Y N -0.471 119.614 120.300 -0.357 0.000 2.652 284 Y HA 0.388 4.938 4.550 -0.001 0.000 0.344 284 Y C 1.019 176.610 175.900 -0.515 0.000 1.254 284 Y CA 0.896 58.633 58.100 -0.604 0.000 1.480 284 Y CB 0.325 38.141 38.460 -1.073 0.000 1.345 284 Y HN 0.568 nan 8.280 nan 0.000 0.617 285 Y N -0.724 119.382 120.300 -0.324 0.000 2.558 285 Y HA 0.592 5.142 4.550 -0.001 0.000 0.333 285 Y C -1.926 173.873 175.900 -0.168 0.000 1.125 285 Y CA -2.321 55.700 58.100 -0.132 0.000 1.039 285 Y CB 0.484 38.947 38.460 0.005 0.000 1.331 285 Y HN 0.312 nan 8.280 nan 0.000 0.456 286 F N 1.869 121.927 119.950 0.181 0.000 2.371 286 F HA 0.545 5.072 4.527 -0.001 0.000 0.329 286 F C 0.252 176.162 175.800 0.183 0.000 1.107 286 F CA -0.207 57.828 58.000 0.058 0.000 1.137 286 F CB 1.369 40.367 39.000 -0.005 0.000 1.214 286 F HN 0.542 nan 8.300 nan 0.000 0.536 287 E N 2.006 122.398 120.200 0.319 0.000 2.317 287 E HA 0.465 4.815 4.350 -0.001 0.000 0.270 287 E C -1.382 175.350 176.600 0.220 0.000 0.885 287 E CA -0.796 55.772 56.400 0.281 0.000 0.760 287 E CB 2.364 32.192 29.700 0.213 0.000 1.227 287 E HN 0.439 nan 8.360 nan 0.000 0.434 288 L N 4.178 125.500 121.223 0.166 0.000 2.371 288 L HA 0.286 4.626 4.340 -0.001 0.000 0.262 288 L C -1.679 175.234 176.870 0.072 0.000 1.054 288 L CA -1.564 53.339 54.840 0.104 0.000 0.924 288 L CB 0.651 42.745 42.059 0.059 0.000 1.295 288 L HN 0.328 nan 8.230 nan 0.000 0.441 289 P HA -0.169 nan 4.420 nan 0.000 0.218 289 P C 1.269 178.586 177.300 0.027 0.000 1.148 289 P CA 1.391 64.513 63.100 0.037 0.000 0.822 289 P CB 0.103 31.808 31.700 0.009 0.000 0.784 290 T N -4.132 110.433 114.554 0.018 0.000 3.060 290 T HA 0.150 4.499 4.350 -0.001 0.000 0.249 290 T C 0.720 175.432 174.700 0.021 0.000 1.079 290 T CA -0.179 61.934 62.100 0.020 0.000 1.013 290 T CB -0.645 68.237 68.868 0.024 0.000 0.975 290 T HN -0.209 nan 8.240 nan 0.000 0.518 291 V N 3.514 123.440 119.914 0.020 0.000 2.555 291 V HA 0.288 4.408 4.120 -0.001 0.000 0.286 291 V C 0.439 176.538 176.094 0.008 0.000 1.044 291 V CA -0.790 61.514 62.300 0.006 0.000 1.026 291 V CB 0.809 32.625 31.823 -0.011 0.000 0.981 291 V HN 0.428 nan 8.190 nan 0.000 0.480 292 N N 3.898 122.598 118.700 0.001 0.000 2.807 292 N HA 0.229 4.968 4.740 -0.001 0.000 0.259 292 N C -0.461 175.047 175.510 -0.004 0.000 1.149 292 N CA 0.232 53.283 53.050 0.003 0.000 1.042 292 N CB 0.370 38.857 38.487 0.001 0.000 1.367 292 N HN 0.877 nan 8.380 nan 0.000 0.516 293 S N 1.930 117.631 115.700 0.001 0.000 2.565 293 S HA 0.527 4.996 4.470 -0.001 0.000 0.269 293 S C -2.468 172.140 174.600 0.012 0.000 1.153 293 S CA -0.903 57.293 58.200 -0.008 0.000 0.835 293 S CB 1.826 65.005 63.200 -0.036 0.000 1.122 293 S HN 0.178 nan 8.310 nan 0.000 0.462 294 P HA 0.143 nan 4.420 nan 0.000 0.241 294 P C 0.576 177.922 177.300 0.077 0.000 1.191 294 P CA 0.647 63.779 63.100 0.054 0.000 0.771 294 P CB -0.312 31.414 31.700 0.043 0.000 0.929 295 T N -2.457 112.055 114.554 -0.070 0.000 3.355 295 T HA 0.107 4.456 4.350 -0.001 0.000 0.276 295 T C 0.482 174.850 174.700 -0.552 0.000 1.003 295 T CA -0.689 61.170 62.100 -0.401 0.000 0.943 295 T CB -1.211 67.444 68.868 -0.355 0.000 1.158 295 T HN 0.004 nan 8.240 nan 0.000 0.513 296 N N 2.092 120.692 118.700 -0.167 0.000 3.111 296 N HA 0.160 4.899 4.740 -0.001 0.000 0.302 296 N C -0.379 175.189 175.510 0.097 0.000 1.317 296 N CA -0.605 52.417 53.050 -0.046 0.000 1.151 296 N CB -0.898 37.618 38.487 0.048 0.000 1.456 296 N HN 0.804 nan 8.380 nan 0.000 0.547 297 Y N -2.940 117.398 120.300 0.064 0.000 2.853 297 Y HA 0.647 5.197 4.550 -0.001 0.000 0.326 297 Y C -0.581 175.384 175.900 0.108 0.000 1.384 297 Y CA -1.497 56.683 58.100 0.133 0.000 1.077 297 Y CB 0.233 38.782 38.460 0.148 0.000 1.395 297 Y HN 0.051 nan 8.280 nan 0.000 0.451 298 S N -1.459 114.532 115.700 0.486 0.000 2.648 298 S HA 0.551 5.020 4.470 -0.001 0.000 0.305 298 S C -1.147 173.731 174.600 0.464 0.000 1.094 298 S CA -0.820 57.599 58.200 0.366 0.000 0.983 298 S CB 0.868 64.374 63.200 0.510 0.000 1.101 298 S HN 0.793 nan 8.310 nan 0.000 0.514 299 H N 1.617 120.935 119.070 0.414 0.000 2.836 299 H HA 0.276 4.831 4.556 -0.001 0.000 0.368 299 H C -2.084 173.470 175.328 0.377 0.000 1.164 299 H CA -0.592 55.650 56.048 0.324 0.000 1.425 299 H CB 0.169 30.078 29.762 0.245 0.000 1.414 299 H HN 0.493 nan 8.280 nan 0.000 0.614 300 P HA 0.036 nan 4.420 nan 0.000 0.271 300 P C -1.045 176.473 177.300 0.363 0.000 1.218 300 P CA 0.226 63.487 63.100 0.268 0.000 0.780 300 P CB 0.392 32.150 31.700 0.095 0.000 0.901 301 F N -0.594 119.505 119.950 0.248 0.000 2.685 301 F HA 0.696 5.223 4.527 -0.001 0.000 0.315 301 F C -1.153 174.813 175.800 0.277 0.000 1.126 301 F CA -1.209 56.939 58.000 0.247 0.000 0.950 301 F CB 0.983 40.181 39.000 0.331 0.000 1.360 301 F HN 0.010 nan 8.300 nan 0.000 0.469 302 D N 1.263 121.924 120.400 0.435 0.000 2.269 302 D HA 0.557 5.197 4.640 -0.001 0.000 0.244 302 D C -0.734 175.888 176.300 0.537 0.000 0.992 302 D CA -0.118 54.078 54.000 0.327 0.000 0.894 302 D CB 2.696 43.601 40.800 0.175 0.000 1.248 302 D HN 0.583 nan 8.370 nan 0.000 0.468 303 I N 2.061 122.935 120.570 0.506 0.000 2.354 303 I HA 0.404 4.573 4.170 -0.001 0.000 0.286 303 I C -0.029 176.242 176.117 0.257 0.000 1.007 303 I CA -0.502 61.062 61.300 0.439 0.000 1.167 303 I CB 0.556 38.848 38.000 0.488 0.000 1.320 303 I HN 0.237 nan 8.210 nan 0.000 0.458 304 R N 3.671 124.277 120.500 0.178 0.000 2.712 304 R HA 0.436 4.776 4.340 -0.001 0.000 0.272 304 R C -0.713 175.640 176.300 0.089 0.000 1.032 304 R CA -1.067 55.100 56.100 0.113 0.000 0.874 304 R CB 1.334 31.689 30.300 0.091 0.000 1.256 304 R HN 0.224 nan 8.270 nan 0.000 0.468 305 K N 0.052 120.500 120.400 0.080 0.000 2.432 305 K HA -0.054 4.266 4.320 -0.001 0.000 0.196 305 K C 0.011 176.670 176.600 0.098 0.000 1.038 305 K CA 1.427 57.767 56.287 0.088 0.000 0.986 305 K CB 0.083 32.632 32.500 0.081 0.000 0.782 305 K HN 0.584 nan 8.250 nan 0.000 0.485 306 D N 0.111 120.556 120.400 0.075 0.000 2.559 306 D HA 0.016 4.656 4.640 -0.001 0.000 0.234 306 D C 1.187 177.492 176.300 0.008 0.000 1.226 306 D CA -0.217 53.827 54.000 0.073 0.000 0.830 306 D CB 0.001 40.848 40.800 0.079 0.000 1.028 306 D HN -0.095 nan 8.370 nan 0.000 0.492 307 I N -0.055 120.470 120.570 -0.074 0.000 2.145 307 I HA -0.293 3.876 4.170 -0.001 0.000 0.244 307 I C 1.092 176.894 176.117 -0.525 0.000 1.075 307 I CA 1.514 62.604 61.300 -0.349 0.000 1.332 307 I CB -0.694 36.954 38.000 -0.587 0.000 1.033 307 I HN 0.143 nan 8.210 nan 0.000 0.410 308 Y N -0.092 120.217 120.300 0.015 0.000 2.507 308 Y HA 0.104 4.654 4.550 -0.001 0.000 0.254 308 Y C 2.304 178.181 175.900 -0.039 0.000 1.171 308 Y CA -0.058 58.018 58.100 -0.041 0.000 1.238 308 Y CB -0.280 38.162 38.460 -0.030 0.000 1.148 308 Y HN 0.008 nan 8.280 nan 0.000 0.525 309 T N -0.212 114.401 114.554 0.098 0.000 2.737 309 T HA -0.226 4.124 4.350 -0.001 0.000 0.265 309 T C 1.840 176.579 174.700 0.065 0.000 1.038 309 T CA 1.793 63.941 62.100 0.081 0.000 1.144 309 T CB -0.038 68.903 68.868 0.122 0.000 0.866 309 T HN 0.211 nan 8.240 nan 0.000 0.434 310 Q N 0.465 120.352 119.800 0.147 0.000 2.212 310 Q HA 0.227 4.566 4.340 -0.001 0.000 0.199 310 Q C 2.127 178.253 176.000 0.212 0.000 0.950 310 Q CA 0.954 56.906 55.803 0.249 0.000 0.863 310 Q CB -0.404 28.482 28.738 0.248 0.000 0.944 310 Q HN 0.480 nan 8.270 nan 0.000 0.465 311 M N 0.492 120.164 119.600 0.120 0.000 2.149 311 M HA -0.248 4.231 4.480 -0.001 0.000 0.261 311 M C 1.837 178.109 176.300 -0.046 0.000 1.064 311 M CA 2.146 57.453 55.300 0.011 0.000 1.102 311 M CB -0.181 32.264 32.600 -0.259 0.000 1.369 311 M HN 0.272 nan 8.290 nan 0.000 0.408 312 K N -0.808 119.505 120.400 -0.146 0.000 2.097 312 K HA -0.208 4.112 4.320 -0.001 0.000 0.206 312 K C 1.506 177.978 176.600 -0.213 0.000 1.049 312 K CA 1.871 57.998 56.287 -0.267 0.000 0.933 312 K CB -0.877 31.387 32.500 -0.394 0.000 0.717 312 K HN 0.425 nan 8.250 nan 0.000 0.442 313 Y N 2.070 122.351 120.300 -0.031 0.000 2.220 313 Y HA -0.143 4.406 4.550 -0.001 0.000 0.291 313 Y C 2.128 178.069 175.900 0.069 0.000 1.129 313 Y CA 0.865 58.957 58.100 -0.012 0.000 1.161 313 Y CB -0.131 38.311 38.460 -0.030 0.000 0.997 313 Y HN 0.132 nan 8.280 nan 0.000 0.522 314 D N 0.254 120.810 120.400 0.259 0.000 2.104 314 D HA -0.212 4.427 4.640 -0.001 0.000 0.194 314 D C 2.266 178.719 176.300 0.254 0.000 0.994 314 D CA 1.446 55.591 54.000 0.241 0.000 0.830 314 D CB -0.617 40.356 40.800 0.290 0.000 0.959 314 D HN 0.347 nan 8.370 nan 0.000 0.452 315 A N 0.696 123.659 122.820 0.238 0.000 1.892 315 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 315 A C 2.398 180.194 177.584 0.353 0.000 1.188 315 A CA 1.206 53.420 52.037 0.295 0.000 0.631 315 A CB -0.854 18.213 19.000 0.112 0.000 0.822 315 A HN 0.244 nan 8.150 nan 0.000 0.447 316 L N -1.139 120.273 121.223 0.315 0.000 2.240 316 L HA -0.066 4.273 4.340 -0.001 0.000 0.211 316 L C 2.926 180.068 176.870 0.454 0.000 1.106 316 L CA 0.678 55.769 54.840 0.418 0.000 0.793 316 L CB -0.361 41.834 42.059 0.227 0.000 0.927 316 L HN 0.429 nan 8.230 nan 0.000 0.446 317 A N -0.219 122.809 122.820 0.346 0.000 2.067 317 A HA -0.240 4.079 4.320 -0.001 0.000 0.219 317 A C 2.100 179.932 177.584 0.414 0.000 1.158 317 A CA 0.860 53.096 52.037 0.333 0.000 0.661 317 A CB -0.743 18.420 19.000 0.273 0.000 0.801 317 A HN 0.430 nan 8.150 nan 0.000 0.452 318 F N 0.172 120.225 119.950 0.173 0.000 2.115 318 F HA -0.277 4.250 4.527 -0.001 0.000 0.300 318 F C 1.752 177.498 175.800 -0.090 0.000 1.092 318 F CA 2.125 60.131 58.000 0.010 0.000 1.245 318 F CB -0.399 38.457 39.000 -0.240 0.000 0.995 318 F HN 0.255 nan 8.300 nan 0.000 0.481 319 F N -1.261 118.731 119.950 0.071 0.000 2.186 319 F HA -0.152 4.375 4.527 -0.001 0.000 0.299 319 F C 2.282 177.999 175.800 -0.138 0.000 1.090 319 F CA 1.593 59.409 58.000 -0.307 0.000 1.307 319 F CB -1.392 37.335 39.000 -0.455 0.000 1.019 319 F HN 0.084 nan 8.300 nan 0.000 0.489 320 Y N 0.454 120.794 120.300 0.066 0.000 2.128 320 Y HA -0.285 4.264 4.550 -0.001 0.000 0.284 320 Y C 2.785 178.632 175.900 -0.089 0.000 1.154 320 Y CA 1.880 59.940 58.100 -0.068 0.000 1.149 320 Y CB -0.905 37.487 38.460 -0.113 0.000 0.976 320 Y HN 0.072 nan 8.280 nan 0.000 0.505 321 H N -0.236 118.784 119.070 -0.084 0.000 2.422 321 H HA -0.098 4.457 4.556 -0.001 0.000 0.298 321 H C 1.458 176.708 175.328 -0.129 0.000 1.098 321 H CA 1.578 57.592 56.048 -0.057 0.000 1.315 321 H CB 0.186 30.073 29.762 0.208 0.000 1.382 321 H HN 0.178 nan 8.280 nan 0.000 0.523 322 K N 0.959 121.278 120.400 -0.136 0.000 2.404 322 K HA 0.090 4.409 4.320 -0.001 0.000 0.194 322 K C 0.515 177.161 176.600 0.077 0.000 1.023 322 K CA -0.045 56.188 56.287 -0.091 0.000 1.094 322 K CB 0.098 32.372 32.500 -0.377 0.000 0.841 322 K HN 0.196 nan 8.250 nan 0.000 0.523 323 R N 0.888 121.365 120.500 -0.037 0.000 2.489 323 R HA 0.070 4.409 4.340 -0.001 0.000 0.287 323 R C 0.374 176.625 176.300 -0.082 0.000 1.053 323 R CA 0.217 56.275 56.100 -0.069 0.000 1.036 323 R CB 0.559 30.545 30.300 -0.522 0.000 0.966 323 R HN -0.082 nan 8.270 nan 0.000 0.432 324 S N 0.695 116.280 115.700 -0.191 0.000 2.646 324 S HA 0.458 4.927 4.470 -0.001 0.000 0.276 324 S C 1.001 175.687 174.600 0.143 0.000 1.222 324 S CA 0.510 58.548 58.200 -0.270 0.000 1.014 324 S CB 1.302 64.043 63.200 -0.764 0.000 0.991 324 S HN 0.838 nan 8.310 nan 0.000 0.533 325 G N 1.775 110.665 108.800 0.150 0.000 2.159 325 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.256 325 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.256 325 G C -0.098 174.949 174.900 0.245 0.000 0.977 325 G CA 0.393 45.602 45.100 0.182 0.000 0.652 325 G HN 0.933 nan 8.290 nan 0.000 0.531 326 I N 0.262 120.950 120.570 0.196 0.000 2.775 326 I HA 0.485 4.654 4.170 -0.001 0.000 0.295 326 I C -2.471 173.668 176.117 0.038 0.000 1.287 326 I CA -2.626 58.753 61.300 0.132 0.000 1.029 326 I CB 2.323 40.391 38.000 0.114 0.000 1.282 326 I HN -0.113 nan 8.210 nan 0.000 0.426 327 P HA 0.204 nan 4.420 nan 0.000 0.271 327 P C -0.987 176.339 177.300 0.043 0.000 1.216 327 P CA -0.161 62.962 63.100 0.038 0.000 0.776 327 P CB 0.322 32.054 31.700 0.053 0.000 0.881 328 I N 3.068 123.671 120.570 0.054 0.000 2.304 328 I HA 0.284 4.454 4.170 -0.001 0.000 0.291 328 I C 0.845 177.108 176.117 0.244 0.000 1.018 328 I CA -0.202 61.156 61.300 0.097 0.000 1.260 328 I CB -0.195 37.855 38.000 0.084 0.000 1.390 328 I HN 0.408 nan 8.210 nan 0.000 0.475 329 E N 4.590 125.009 120.200 0.364 0.000 2.392 329 E HA 0.519 4.868 4.350 -0.001 0.000 0.269 329 E C -0.931 175.795 176.600 0.210 0.000 0.924 329 E CA -1.234 55.326 56.400 0.267 0.000 0.784 329 E CB 2.082 31.923 29.700 0.235 0.000 1.292 329 E HN 0.217 nan 8.360 nan 0.000 0.447 330 M N 2.602 122.240 119.600 0.065 0.000 2.240 330 M HA 0.133 4.612 4.480 -0.001 0.000 0.333 330 M C -1.733 174.358 176.300 -0.348 0.000 1.110 330 M CA -2.121 53.131 55.300 -0.080 0.000 1.173 330 M CB 0.366 32.940 32.600 -0.043 0.000 1.458 330 M HN 0.324 nan 8.290 nan 0.000 0.458 331 P HA -0.016 nan 4.420 nan 0.000 0.249 331 P C 0.361 177.470 177.300 -0.320 0.000 1.229 331 P CA 0.943 63.815 63.100 -0.379 0.000 0.788 331 P CB -0.023 31.463 31.700 -0.357 0.000 1.072 332 Y N 1.371 121.613 120.300 -0.097 0.000 2.224 332 Y HA -0.027 4.522 4.550 -0.001 0.000 0.289 332 Y C 2.799 178.610 175.900 -0.147 0.000 1.146 332 Y CA 0.921 58.848 58.100 -0.288 0.000 1.182 332 Y CB -1.921 36.120 38.460 -0.697 0.000 0.983 332 Y HN -0.030 nan 8.280 nan 0.000 0.524 333 A N 0.036 122.995 122.820 0.232 0.000 2.070 333 A HA 0.172 4.492 4.320 -0.001 0.000 0.220 333 A C 2.352 180.194 177.584 0.430 0.000 1.159 333 A CA 1.492 53.734 52.037 0.341 0.000 0.656 333 A CB -1.273 17.997 19.000 0.450 0.000 0.800 333 A HN 0.746 nan 8.150 nan 0.000 0.453 334 G N -2.988 105.986 108.800 0.291 0.000 2.179 334 G HA2 0.197 4.156 3.960 -0.001 0.000 0.260 334 G HA3 0.197 4.156 3.960 -0.001 0.000 0.260 334 G C 0.769 175.912 174.900 0.404 0.000 0.977 334 G CA 0.451 45.739 45.100 0.314 0.000 0.641 334 G HN 2.137 nan 8.290 nan 0.000 0.533 335 G N -1.299 107.732 108.800 0.384 0.000 2.476 335 G HA2 0.565 4.524 3.960 -0.001 0.000 0.309 335 G HA3 0.565 4.524 3.960 -0.001 0.000 0.309 335 G C 0.058 174.992 174.900 0.056 0.000 1.575 335 G CA 0.762 45.920 45.100 0.097 0.000 0.913 335 G HN 0.306 nan 8.290 nan 0.000 0.623 336 E N 1.131 121.316 120.200 -0.025 0.000 2.171 336 E HA -0.242 4.108 4.350 -0.001 0.000 0.197 336 E C 2.189 178.796 176.600 0.011 0.000 0.997 336 E CA 1.725 58.133 56.400 0.013 0.000 0.810 336 E CB 0.160 29.848 29.700 -0.021 0.000 0.738 336 E HN 0.661 nan 8.360 nan 0.000 0.467 337 Q N -0.545 119.153 119.800 -0.170 0.000 2.364 337 Q HA -0.149 4.190 4.340 -0.001 0.000 0.207 337 Q C 1.100 177.101 176.000 0.001 0.000 0.970 337 Q CA 0.817 56.507 55.803 -0.188 0.000 0.888 337 Q CB -0.340 28.131 28.738 -0.446 0.000 0.951 337 Q HN 0.432 nan 8.270 nan 0.000 0.469 338 W N 1.461 122.911 121.300 0.250 0.000 3.220 338 W HA 0.330 4.989 4.660 -0.001 0.000 0.328 338 W C 0.311 177.160 176.519 0.549 0.000 1.205 338 W CA -0.702 56.883 57.345 0.399 0.000 1.773 338 W CB -0.146 29.523 29.460 0.348 0.000 1.086 338 W HN -0.088 nan 8.180 nan 0.000 0.622 339 T N 2.593 117.475 114.554 0.547 0.000 2.900 339 T HA 0.342 4.691 4.350 -0.001 0.000 0.307 339 T C 0.298 175.214 174.700 0.360 0.000 1.065 339 T CA 0.559 62.893 62.100 0.390 0.000 1.105 339 T CB 0.710 69.721 68.868 0.239 0.000 0.979 339 T HN 0.218 nan 8.240 nan 0.000 0.544 340 R N 1.914 122.543 120.500 0.215 0.000 2.739 340 R HA 0.450 4.789 4.340 -0.001 0.000 0.266 340 R C -3.469 172.821 176.300 -0.016 0.000 1.044 340 R CA -1.750 54.390 56.100 0.068 0.000 0.885 340 R CB 0.201 30.501 30.300 -0.001 0.000 1.260 340 R HN 0.289 nan 8.270 nan 0.000 0.477 341 P HA 0.083 nan 4.420 nan 0.000 0.270 341 P C -0.450 176.799 177.300 -0.085 0.000 1.223 341 P CA -0.127 62.849 63.100 -0.206 0.000 0.785 341 P CB 0.532 31.892 31.700 -0.567 0.000 0.923 342 A N 1.815 124.610 122.820 -0.041 0.000 2.531 342 A HA 0.428 4.747 4.320 -0.001 0.000 0.236 342 A C 0.864 178.471 177.584 0.039 0.000 1.062 342 A CA 0.608 52.659 52.037 0.023 0.000 0.760 342 A CB -0.705 18.317 19.000 0.037 0.000 0.995 342 A HN 0.605 nan 8.150 nan 0.000 0.501 343 G N 0.396 109.263 108.800 0.112 0.000 2.332 343 G HA2 0.496 4.455 3.960 -0.001 0.000 0.310 343 G HA3 0.496 4.455 3.960 -0.001 0.000 0.310 343 G C -0.216 174.804 174.900 0.199 0.000 1.123 343 G CA -0.344 44.838 45.100 0.137 0.000 0.873 343 G HN 1.134 nan 8.290 nan 0.000 0.460 344 H N -0.731 118.377 119.070 0.064 0.000 2.750 344 H HA -0.206 4.349 4.556 -0.001 0.000 0.327 344 H C 0.953 176.295 175.328 0.023 0.000 1.199 344 H CA 1.080 57.151 56.048 0.038 0.000 1.149 344 H CB -1.336 28.468 29.762 0.070 0.000 1.543 344 H HN 0.734 nan 8.280 nan 0.000 0.427 345 I N -3.425 117.188 120.570 0.072 0.000 3.736 345 I HA 0.477 4.647 4.170 -0.001 0.000 0.338 345 I C 1.496 177.626 176.117 0.022 0.000 1.558 345 I CA 0.164 61.493 61.300 0.048 0.000 1.147 345 I CB 0.714 38.738 38.000 0.041 0.000 1.275 345 I HN 0.444 nan 8.210 nan 0.000 0.454 346 G N 2.013 110.825 108.800 0.020 0.000 2.143 346 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.248 346 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.248 346 G C 0.001 174.893 174.900 -0.014 0.000 0.991 346 G CA 0.142 45.242 45.100 -0.000 0.000 0.689 346 G HN 0.532 nan 8.290 nan 0.000 0.522 347 I N 0.871 121.430 120.570 -0.019 0.000 2.325 347 I HA 0.268 4.437 4.170 -0.001 0.000 0.291 347 I C 0.745 176.844 176.117 -0.030 0.000 1.019 347 I CA -0.972 60.316 61.300 -0.021 0.000 1.302 347 I CB 1.132 39.123 38.000 -0.015 0.000 1.401 347 I HN -0.011 nan 8.210 nan 0.000 0.485 348 E N 8.456 128.641 120.200 -0.026 0.000 2.708 348 E HA -0.096 4.253 4.350 -0.001 0.000 0.260 348 E C -2.016 174.566 176.600 -0.030 0.000 0.937 348 E CA 0.106 56.488 56.400 -0.030 0.000 0.953 348 E CB 0.215 29.901 29.700 -0.023 0.000 0.915 348 E HN 0.451 nan 8.360 nan 0.000 0.487 349 P HA -0.143 nan 4.420 nan 0.000 0.535 349 P C -1.083 176.168 177.300 -0.080 0.000 0.616 349 P CA 0.417 63.478 63.100 -0.065 0.000 2.509 349 P CB -0.911 30.737 31.700 -0.086 0.000 1.141 350 N N 1.452 120.085 118.700 -0.112 0.000 2.412 350 N HA 0.038 4.777 4.740 -0.001 0.000 0.254 350 N C 0.698 176.180 175.510 -0.048 0.000 1.232 350 N CA 0.652 53.635 53.050 -0.113 0.000 0.880 350 N CB 0.094 38.468 38.487 -0.188 0.000 1.076 350 N HN 0.210 nan 8.380 nan 0.000 0.458 351 K N 0.843 121.229 120.400 -0.023 0.000 2.498 351 K HA 0.325 4.644 4.320 -0.001 0.000 0.207 351 K C 0.572 177.137 176.600 -0.059 0.000 1.033 351 K CA -0.288 55.958 56.287 -0.068 0.000 1.138 351 K CB 0.546 32.964 32.500 -0.138 0.000 0.860 351 K HN 0.655 nan 8.250 nan 0.000 0.490 352 G N 0.085 108.907 108.800 0.036 0.000 2.600 352 G HA2 0.244 4.203 3.960 -0.001 0.000 0.293 352 G HA3 0.244 4.203 3.960 -0.001 0.000 0.293 352 G C -1.362 173.610 174.900 0.119 0.000 1.408 352 G CA -0.471 44.656 45.100 0.045 0.000 0.782 352 G HN -0.091 nan 8.290 nan 0.000 0.482 353 D N 0.245 120.699 120.400 0.090 0.000 2.538 353 D HA 0.158 4.797 4.640 -0.001 0.000 0.231 353 D C 2.088 178.395 176.300 0.010 0.000 1.229 353 D CA 0.553 54.569 54.000 0.026 0.000 0.828 353 D CB 0.760 41.567 40.800 0.012 0.000 1.035 353 D HN 0.429 nan 8.370 nan 0.000 0.495 354 T N -2.352 112.207 114.554 0.008 0.000 2.951 354 T HA -0.012 4.337 4.350 -0.001 0.000 0.268 354 T C 0.862 175.558 174.700 -0.008 0.000 1.073 354 T CA 0.502 62.603 62.100 0.001 0.000 1.134 354 T CB 0.303 69.171 68.868 -0.000 0.000 0.884 354 T HN -0.104 nan 8.240 nan 0.000 0.479 355 N N 1.346 120.033 118.700 -0.021 0.000 2.725 355 N HA 0.345 5.084 4.740 -0.001 0.000 0.248 355 N C -1.706 173.771 175.510 -0.055 0.000 1.402 355 N CA -0.204 52.830 53.050 -0.027 0.000 0.766 355 N CB 2.120 40.591 38.487 -0.027 0.000 1.223 355 N HN 0.133 nan 8.380 nan 0.000 0.515 356 V N 2.745 122.626 119.914 -0.055 0.000 2.333 356 V HA 0.382 4.502 4.120 -0.001 0.000 0.274 356 V C -2.032 174.016 176.094 -0.077 0.000 1.028 356 V CA -1.650 60.591 62.300 -0.097 0.000 0.851 356 V CB 1.505 33.271 31.823 -0.095 0.000 1.000 356 V HN 0.242 nan 8.190 nan 0.000 0.456 357 P HA 0.238 nan 4.420 nan 0.000 0.274 357 P C 0.145 177.441 177.300 -0.007 0.000 1.246 357 P CA -0.243 62.846 63.100 -0.019 0.000 0.795 357 P CB 0.299 32.038 31.700 0.065 0.000 1.006 358 T N -2.065 112.384 114.554 -0.174 0.000 2.900 358 T HA 0.024 4.373 4.350 -0.001 0.000 0.307 358 T C 0.050 174.719 174.700 -0.051 0.000 1.065 358 T CA -0.759 61.250 62.100 -0.152 0.000 1.105 358 T CB 0.210 68.879 68.868 -0.332 0.000 0.979 358 T HN 0.291 nan 8.240 nan 0.000 0.544 359 W N 2.928 124.129 121.300 -0.166 0.000 2.391 359 W HA 0.105 4.765 4.660 -0.001 0.000 0.339 359 W C -2.316 173.988 176.519 -0.358 0.000 1.252 359 W CA -1.482 55.692 57.345 -0.285 0.000 1.304 359 W CB -0.076 29.310 29.460 -0.123 0.000 1.179 359 W HN 0.529 nan 8.180 nan 0.000 0.567 360 P HA -0.121 nan 4.420 nan 0.000 0.261 360 P C 0.475 177.753 177.300 -0.036 0.000 1.183 360 P CA 0.663 63.515 63.100 -0.412 0.000 0.761 360 P CB 0.507 31.848 31.700 -0.598 0.000 0.785 361 Q N 1.784 121.567 119.800 -0.029 0.000 2.435 361 Q HA -0.111 4.229 4.340 -0.001 0.000 0.207 361 Q C 0.975 176.999 176.000 0.039 0.000 0.956 361 Q CA 1.112 56.933 55.803 0.031 0.000 0.917 361 Q CB -0.254 28.485 28.738 0.001 0.000 0.997 361 Q HN 0.532 nan 8.270 nan 0.000 0.497 362 D N 0.871 121.283 120.400 0.021 0.000 2.219 362 D HA -0.098 4.542 4.640 -0.001 0.000 0.205 362 D C 0.008 176.356 176.300 0.080 0.000 0.970 362 D CA 0.531 54.550 54.000 0.032 0.000 0.851 362 D CB 0.118 40.923 40.800 0.007 0.000 0.943 362 D HN 0.100 nan 8.370 nan 0.000 0.488 363 D N -0.301 120.197 120.400 0.163 0.000 2.424 363 D HA -0.045 4.595 4.640 -0.001 0.000 0.244 363 D C 1.129 177.498 176.300 0.115 0.000 1.134 363 D CA 0.139 54.284 54.000 0.242 0.000 0.881 363 D CB 0.930 42.053 40.800 0.537 0.000 1.191 363 D HN 0.092 nan 8.370 nan 0.000 0.445 364 E N 2.423 122.638 120.200 0.026 0.000 2.070 364 E HA -0.262 4.088 4.350 -0.001 0.000 0.197 364 E C 0.239 176.650 176.600 -0.315 0.000 1.004 364 E CA 1.341 57.624 56.400 -0.194 0.000 0.805 364 E CB -0.077 29.425 29.700 -0.330 0.000 0.744 364 E HN 0.635 nan 8.360 nan 0.000 0.451 365 Y N -0.591 119.728 120.300 0.032 0.000 2.867 365 Y HA 0.420 4.969 4.550 -0.001 0.000 0.351 365 Y C 1.197 177.017 175.900 -0.134 0.000 1.046 365 Y CA -0.176 57.897 58.100 -0.045 0.000 1.520 365 Y CB 0.550 38.962 38.460 -0.081 0.000 1.337 365 Y HN 0.161 nan 8.280 nan 0.000 0.525 366 A N 0.077 122.917 122.820 0.035 0.000 2.015 366 A HA 0.307 4.626 4.320 -0.001 0.000 0.219 366 A C 1.866 179.377 177.584 -0.121 0.000 1.163 366 A CA 1.309 53.333 52.037 -0.023 0.000 0.646 366 A CB -0.810 18.293 19.000 0.172 0.000 0.806 366 A HN 0.706 nan 8.150 nan 0.000 0.448 367 G N -0.669 108.100 108.800 -0.052 0.000 2.568 367 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.222 367 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.222 367 G C 0.179 175.066 174.900 -0.022 0.000 1.321 367 G CA -0.193 44.880 45.100 -0.045 0.000 0.893 367 G HN 1.527 nan 8.290 nan 0.000 0.569 368 I N -0.383 120.169 120.570 -0.029 0.000 2.892 368 I HA 0.504 4.673 4.170 -0.001 0.000 0.287 368 I C -1.881 174.228 176.117 -0.014 0.000 1.205 368 I CA -1.438 59.848 61.300 -0.023 0.000 1.409 368 I CB 0.070 38.045 38.000 -0.042 0.000 1.367 368 I HN 0.361 nan 8.210 nan 0.000 0.597 369 P HA 0.069 nan 4.420 nan 0.000 0.264 369 P C -1.181 176.118 177.300 -0.003 0.000 1.183 369 P CA 0.279 63.378 63.100 -0.001 0.000 0.763 369 P CB 0.431 32.130 31.700 -0.002 0.000 0.807 370 Q N 1.554 121.358 119.800 0.006 0.000 2.413 370 Q HA 0.377 4.716 4.340 -0.001 0.000 0.276 370 Q C -0.409 175.601 176.000 0.016 0.000 1.099 370 Q CA -1.101 54.709 55.803 0.012 0.000 0.814 370 Q CB 2.590 31.328 28.738 0.000 0.000 1.379 370 Q HN 0.274 nan 8.270 nan 0.000 0.436 371 K N 1.075 121.518 120.400 0.071 0.000 2.219 371 K HA 0.101 4.420 4.320 -0.001 0.000 0.258 371 K C -0.107 176.495 176.600 0.005 0.000 1.008 371 K CA -0.192 56.157 56.287 0.104 0.000 0.928 371 K CB 0.391 33.037 32.500 0.243 0.000 0.983 371 K HN 0.327 nan 8.250 nan 0.000 0.484 372 N N 2.407 121.124 118.700 0.029 0.000 2.437 372 N HA 0.146 4.886 4.740 -0.001 0.000 0.243 372 N C -1.767 173.783 175.510 0.066 0.000 1.041 372 N CA -0.109 52.918 53.050 -0.038 0.000 0.940 372 N CB 0.007 38.484 38.487 -0.015 0.000 1.133 372 N HN 0.450 nan 8.380 nan 0.000 0.506 373 Y N -0.764 119.546 120.300 0.016 0.000 2.705 373 Y HA 0.693 5.243 4.550 -0.001 0.000 0.332 373 Y C -0.514 175.388 175.900 0.003 0.000 1.221 373 Y CA -1.269 56.835 58.100 0.008 0.000 1.059 373 Y CB 0.573 39.040 38.460 0.011 0.000 1.298 373 Y HN 0.229 nan 8.280 nan 0.000 0.459 374 T N -0.986 113.712 114.554 0.239 0.000 2.924 374 T HA 0.756 5.106 4.350 -0.001 0.000 0.291 374 T C -1.242 173.562 174.700 0.173 0.000 1.045 374 T CA -1.038 61.133 62.100 0.117 0.000 1.015 374 T CB 2.356 71.251 68.868 0.044 0.000 1.103 374 T HN 0.748 nan 8.240 nan 0.000 0.496 375 K N 0.574 121.022 120.400 0.080 0.000 2.469 375 K HA 0.352 4.671 4.320 -0.001 0.000 0.254 375 K C -1.561 175.050 176.600 0.019 0.000 0.939 375 K CA -0.857 55.467 56.287 0.061 0.000 0.812 375 K CB 2.116 34.648 32.500 0.052 0.000 1.301 375 K HN 0.745 nan 8.250 nan 0.000 0.433 376 D N 2.511 122.921 120.400 0.016 0.000 2.336 376 D HA 0.112 4.752 4.640 -0.001 0.000 0.249 376 D C -0.070 176.244 176.300 0.024 0.000 1.213 376 D CA -0.221 53.786 54.000 0.010 0.000 0.870 376 D CB 0.938 41.739 40.800 0.001 0.000 1.076 376 D HN 0.293 nan 8.370 nan 0.000 0.483 377 V N 1.623 121.564 119.914 0.046 0.000 2.804 377 V HA 0.268 4.387 4.120 -0.001 0.000 0.360 377 V C 0.751 176.926 176.094 0.136 0.000 1.282 377 V CA -0.492 61.885 62.300 0.128 0.000 1.274 377 V CB -0.623 31.309 31.823 0.182 0.000 1.415 377 V HN 0.510 nan 8.190 nan 0.000 0.610 378 T N -1.359 113.220 114.554 0.042 0.000 2.802 378 T HA 0.616 4.966 4.350 -0.001 0.000 0.305 378 T C 0.904 175.552 174.700 -0.086 0.000 1.053 378 T CA 0.770 62.861 62.100 -0.015 0.000 1.058 378 T CB 1.081 69.940 68.868 -0.016 0.000 0.988 378 T HN 2.101 nan 8.240 nan 0.000 0.539 379 G N -0.027 108.680 108.800 -0.155 0.000 2.615 379 G HA2 0.387 4.347 3.960 -0.001 0.000 0.218 379 G HA3 0.387 4.347 3.960 -0.001 0.000 0.218 379 G C 0.362 175.026 174.900 -0.393 0.000 1.339 379 G CA 0.054 44.969 45.100 -0.309 0.000 0.884 379 G HN 2.720 nan 8.290 nan 0.000 0.559 380 G N -2.441 106.061 108.800 -0.496 0.000 2.796 380 G HA2 0.124 4.084 3.960 -0.001 0.000 0.226 380 G HA3 0.124 4.084 3.960 -0.001 0.000 0.226 380 G C 0.014 174.807 174.900 -0.178 0.000 1.381 380 G CA 0.516 45.318 45.100 -0.497 0.000 0.867 380 G HN 1.745 nan 8.290 nan 0.000 0.552 381 W N -0.685 120.574 121.300 -0.069 0.000 2.512 381 W HA 0.600 5.259 4.660 -0.001 0.000 0.335 381 W C -0.055 176.359 176.519 -0.174 0.000 1.088 381 W CA -1.403 55.911 57.345 -0.052 0.000 1.236 381 W CB 0.448 30.022 29.460 0.190 0.000 1.307 381 W HN 0.443 nan 8.180 nan 0.000 0.567 382 Y N 1.156 121.617 120.300 0.269 0.000 2.497 382 Y HA -0.084 4.465 4.550 -0.001 0.000 0.334 382 Y C 1.588 177.643 175.900 0.257 0.000 1.199 382 Y CA 0.329 58.553 58.100 0.208 0.000 1.425 382 Y CB 0.204 38.757 38.460 0.155 0.000 1.291 382 Y HN 0.401 nan 8.280 nan 0.000 0.562 383 D N 0.934 121.610 120.400 0.461 0.000 2.162 383 D HA 0.128 4.768 4.640 -0.001 0.000 0.203 383 D C 0.745 177.176 176.300 0.219 0.000 0.967 383 D CA 1.436 55.642 54.000 0.343 0.000 0.840 383 D CB 0.372 41.352 40.800 0.300 0.000 0.972 383 D HN 0.647 nan 8.370 nan 0.000 0.482 384 A N -1.535 121.416 122.820 0.218 0.000 4.616 384 A HA 0.560 4.879 4.320 -0.001 0.000 0.148 384 A C 1.322 178.989 177.584 0.138 0.000 0.866 384 A CA 0.043 52.177 52.037 0.161 0.000 1.392 384 A CB -0.309 18.734 19.000 0.071 0.000 2.279 384 A HN 0.027 nan 8.150 nan 0.000 1.006 385 G N 0.608 109.482 108.800 0.124 0.000 2.920 385 G HA2 0.284 4.243 3.960 -0.001 0.000 0.208 385 G HA3 0.284 4.243 3.960 -0.001 0.000 0.208 385 G C 0.257 175.092 174.900 -0.107 0.000 1.159 385 G CA 1.200 46.305 45.100 0.008 0.000 0.784 385 G HN 0.828 nan 8.290 nan 0.000 0.535 386 D N -1.515 118.885 120.400 0.001 0.000 2.569 386 D HA 0.200 4.840 4.640 -0.001 0.000 0.266 386 D C -0.364 175.863 176.300 -0.121 0.000 1.164 386 D CA -0.771 53.179 54.000 -0.084 0.000 1.071 386 D CB 0.503 41.467 40.800 0.273 0.000 1.183 386 D HN 0.261 nan 8.370 nan 0.000 0.613 387 H N -1.687 117.393 119.070 0.016 0.000 2.487 387 H HA 0.393 4.948 4.556 -0.001 0.000 0.290 387 H C 0.632 176.049 175.328 0.149 0.000 1.081 387 H CA -0.674 55.309 56.048 -0.108 0.000 1.116 387 H CB 0.885 30.534 29.762 -0.187 0.000 1.560 387 H HN 0.411 nan 8.280 nan 0.000 0.548 388 G N 0.933 109.912 108.800 0.298 0.000 2.448 388 G HA2 0.390 4.350 3.960 -0.001 0.000 0.285 388 G HA3 0.390 4.350 3.960 -0.001 0.000 0.285 388 G C -0.559 174.460 174.900 0.199 0.000 1.176 388 G CA -0.716 44.460 45.100 0.127 0.000 0.852 388 G HN 0.211 nan 8.290 nan 0.000 0.530 389 K N 0.926 121.256 120.400 -0.117 0.000 2.463 389 K HA 0.379 4.698 4.320 -0.001 0.000 0.255 389 K C -1.825 174.830 176.600 0.091 0.000 0.942 389 K CA -0.589 55.712 56.287 0.024 0.000 0.814 389 K CB 2.237 34.499 32.500 -0.395 0.000 1.122 389 K HN 0.488 nan 8.250 nan 0.000 0.425 390 Y N 0.349 120.801 120.300 0.254 0.000 2.391 390 Y HA 0.175 4.725 4.550 -0.001 0.000 0.341 390 Y C 1.081 177.071 175.900 0.149 0.000 0.965 390 Y CA -1.203 56.963 58.100 0.110 0.000 1.067 390 Y CB 1.429 39.796 38.460 -0.154 0.000 1.199 390 Y HN 0.227 nan 8.280 nan 0.000 0.450 391 V N 1.292 121.267 119.914 0.102 0.000 2.346 391 V HA -0.082 4.037 4.120 -0.001 0.000 0.244 391 V C 0.730 176.755 176.094 -0.116 0.000 1.037 391 V CA 0.608 62.804 62.300 -0.174 0.000 1.029 391 V CB -0.195 31.360 31.823 -0.447 0.000 0.663 391 V HN 0.553 nan 8.190 nan 0.000 0.454 392 V N 1.926 121.744 119.914 -0.160 0.000 2.740 392 V HA 0.084 4.203 4.120 -0.001 0.000 0.303 392 V C 1.366 177.315 176.094 -0.242 0.000 1.054 392 V CA 1.302 63.555 62.300 -0.079 0.000 1.106 392 V CB 0.476 32.272 31.823 -0.045 0.000 0.957 392 V HN 0.758 nan 8.190 nan 0.000 0.486 393 N N 2.283 120.927 118.700 -0.093 0.000 1.710 393 N HA -0.231 4.509 4.740 -0.001 0.000 0.213 393 N C 1.507 177.102 175.510 0.142 0.000 1.023 393 N CA 1.615 54.559 53.050 -0.177 0.000 4.075 393 N CB -1.375 36.506 38.487 -1.009 0.000 0.686 393 N HN 0.850 nan 8.380 nan 0.000 0.276 394 G N 0.018 108.972 108.800 0.257 0.000 2.450 394 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.220 394 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.220 394 G C 1.371 176.704 174.900 0.721 0.000 1.130 394 G CA 1.964 47.420 45.100 0.594 0.000 0.760 394 G HN 0.654 nan 8.290 nan 0.000 0.557 395 G N 0.993 110.174 108.800 0.635 0.000 2.453 395 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.215 395 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.215 395 G C 1.763 177.080 174.900 0.694 0.000 1.201 395 G CA 0.786 46.301 45.100 0.692 0.000 0.784 395 G HN 0.425 nan 8.290 nan 0.000 0.545 396 I N 1.056 121.935 120.570 0.515 0.000 2.286 396 I HA -0.121 4.049 4.170 -0.001 0.000 0.248 396 I C 3.040 179.453 176.117 0.494 0.000 1.115 396 I CA 1.392 62.915 61.300 0.372 0.000 1.392 396 I CB -0.070 38.036 38.000 0.177 0.000 1.065 396 I HN 0.235 nan 8.210 nan 0.000 0.418 397 A N -0.155 122.966 122.820 0.502 0.000 1.858 397 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 397 A C 2.438 180.334 177.584 0.520 0.000 1.190 397 A CA 2.089 54.438 52.037 0.519 0.000 0.617 397 A CB -1.277 18.075 19.000 0.587 0.000 0.827 397 A HN 0.367 nan 8.150 nan 0.000 0.443 398 V N -1.629 118.650 119.914 0.608 0.000 2.515 398 V HA -0.186 3.934 4.120 -0.001 0.000 0.250 398 V C 2.027 178.375 176.094 0.424 0.000 1.058 398 V CA 2.057 64.651 62.300 0.490 0.000 1.064 398 V CB -0.534 31.448 31.823 0.265 0.000 0.675 398 V HN 0.790 nan 8.190 nan 0.000 0.461 399 W N 0.801 122.316 121.300 0.359 0.000 2.363 399 W HA -0.205 4.455 4.660 -0.001 0.000 0.296 399 W C 2.280 178.979 176.519 0.300 0.000 1.212 399 W CA 2.284 59.840 57.345 0.351 0.000 1.260 399 W CB -0.319 29.417 29.460 0.460 0.000 1.131 399 W HN 0.192 nan 8.180 nan 0.000 0.530 400 T N 1.341 116.218 114.554 0.539 0.000 2.777 400 T HA -0.166 4.183 4.350 -0.001 0.000 0.266 400 T C 1.877 176.770 174.700 0.321 0.000 1.040 400 T CA 1.650 64.007 62.100 0.428 0.000 1.141 400 T CB -0.476 68.698 68.868 0.510 0.000 0.868 400 T HN 0.133 nan 8.240 nan 0.000 0.444 401 L N 0.243 121.609 121.223 0.237 0.000 2.056 401 L HA -0.013 4.327 4.340 -0.001 0.000 0.207 401 L C 2.669 179.632 176.870 0.155 0.000 1.078 401 L CA 1.278 56.216 54.840 0.164 0.000 0.749 401 L CB -0.548 41.541 42.059 0.049 0.000 0.901 401 L HN 0.316 nan 8.230 nan 0.000 0.433 402 M N -0.495 119.160 119.600 0.092 0.000 2.254 402 M HA -0.169 4.310 4.480 -0.001 0.000 0.265 402 M C 1.938 178.238 176.300 -0.000 0.000 1.066 402 M CA 1.518 56.852 55.300 0.057 0.000 1.123 402 M CB -0.490 32.127 32.600 0.028 0.000 1.388 402 M HN 0.287 nan 8.290 nan 0.000 0.425 403 N N 1.346 119.924 118.700 -0.204 0.000 2.142 403 N HA -0.149 4.591 4.740 -0.001 0.000 0.186 403 N C 1.812 177.404 175.510 0.136 0.000 1.023 403 N CA 1.565 54.484 53.050 -0.218 0.000 0.852 403 N CB -0.162 37.884 38.487 -0.735 0.000 0.998 403 N HN 0.376 nan 8.380 nan 0.000 0.424 404 M N -1.463 118.270 119.600 0.223 0.000 2.202 404 M HA -0.149 4.331 4.480 -0.001 0.000 0.262 404 M C 1.943 178.174 176.300 -0.116 0.000 1.063 404 M CA 1.395 56.624 55.300 -0.118 0.000 1.097 404 M CB -0.825 31.582 32.600 -0.322 0.000 1.382 404 M HN 0.206 nan 8.290 nan 0.000 0.413 405 Y N 1.453 121.725 120.300 -0.046 0.000 2.163 405 Y HA -0.166 4.383 4.550 -0.001 0.000 0.288 405 Y C 2.440 178.199 175.900 -0.235 0.000 1.136 405 Y CA 2.278 60.288 58.100 -0.150 0.000 1.147 405 Y CB -0.360 38.110 38.460 0.016 0.000 0.987 405 Y HN 0.446 nan 8.280 nan 0.000 0.509 406 E N 0.282 120.408 120.200 -0.124 0.000 2.085 406 E HA -0.284 4.065 4.350 -0.001 0.000 0.194 406 E C 2.513 178.980 176.600 -0.222 0.000 0.994 406 E CA 1.372 57.672 56.400 -0.166 0.000 0.801 406 E CB -0.295 29.411 29.700 0.010 0.000 0.743 406 E HN 0.469 nan 8.360 nan 0.000 0.453 407 R N 0.057 120.471 120.500 -0.143 0.000 2.073 407 R HA -0.162 4.178 4.340 -0.001 0.000 0.234 407 R C 2.227 178.343 176.300 -0.308 0.000 1.134 407 R CA 1.402 57.438 56.100 -0.106 0.000 0.952 407 R CB -0.347 29.950 30.300 -0.005 0.000 0.850 407 R HN 0.227 nan 8.270 nan 0.000 0.433 408 A N 1.435 123.920 122.820 -0.559 0.000 1.902 408 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 408 A C 2.116 179.382 177.584 -0.531 0.000 1.181 408 A CA 1.739 53.361 52.037 -0.691 0.000 0.623 408 A CB -0.533 17.624 19.000 -1.406 0.000 0.818 408 A HN 0.447 nan 8.150 nan 0.000 0.443 409 K N -0.267 119.759 120.400 -0.623 0.000 2.032 409 K HA -0.113 4.207 4.320 -0.001 0.000 0.209 409 K C 1.780 178.230 176.600 -0.250 0.000 1.048 409 K CA 1.791 57.812 56.287 -0.442 0.000 0.927 409 K CB -0.352 31.831 32.500 -0.529 0.000 0.712 409 K HN 0.467 nan 8.250 nan 0.000 0.441 410 I N 0.770 121.212 120.570 -0.213 0.000 2.361 410 I HA -0.223 3.947 4.170 -0.001 0.000 0.251 410 I C 1.862 177.912 176.117 -0.112 0.000 1.133 410 I CA 1.149 62.381 61.300 -0.115 0.000 1.413 410 I CB -0.048 37.921 38.000 -0.051 0.000 1.073 410 I HN 0.146 nan 8.210 nan 0.000 0.424 411 R N 0.603 121.005 120.500 -0.163 0.000 2.388 411 R HA 0.181 4.520 4.340 -0.001 0.000 0.247 411 R C 1.057 177.258 176.300 -0.164 0.000 0.931 411 R CA 0.519 56.522 56.100 -0.162 0.000 1.082 411 R CB 0.336 30.511 30.300 -0.209 0.000 1.135 411 R HN 0.407 nan 8.270 nan 0.000 0.525 412 G N 1.332 110.042 108.800 -0.151 0.000 2.198 412 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.260 412 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.260 412 G C 0.350 175.185 174.900 -0.109 0.000 1.025 412 G CA 0.011 45.043 45.100 -0.114 0.000 0.769 412 G HN 0.349 nan 8.290 nan 0.000 0.507 413 L N 0.464 121.596 121.223 -0.153 0.000 2.857 413 L HA 0.231 4.570 4.340 -0.001 0.000 0.249 413 L C 1.721 178.621 176.870 0.050 0.000 1.172 413 L CA 0.414 55.210 54.840 -0.073 0.000 0.980 413 L CB 0.257 42.210 42.059 -0.177 0.000 1.299 413 L HN 0.324 nan 8.230 nan 0.000 0.535 414 D N -0.447 119.926 120.400 -0.045 0.000 2.363 414 D HA -0.143 4.496 4.640 -0.001 0.000 0.226 414 D C 1.046 177.466 176.300 0.199 0.000 1.020 414 D CA 0.371 54.391 54.000 0.033 0.000 0.892 414 D CB -0.227 40.511 40.800 -0.105 0.000 0.900 414 D HN 0.377 nan 8.370 nan 0.000 0.531 415 N N -0.517 118.295 118.700 0.186 0.000 2.314 415 N HA -0.013 4.727 4.740 -0.001 0.000 0.200 415 N C -0.484 175.188 175.510 0.269 0.000 1.135 415 N CA -0.440 52.725 53.050 0.191 0.000 0.835 415 N CB -0.436 38.133 38.487 0.137 0.000 0.989 415 N HN 0.335 nan 8.380 nan 0.000 0.478 416 W N 0.594 121.970 121.300 0.127 0.000 2.864 416 W HA 0.583 5.242 4.660 -0.001 0.000 0.343 416 W C 0.813 177.408 176.519 0.128 0.000 1.109 416 W CA 0.598 58.014 57.345 0.117 0.000 1.192 416 W CB 1.283 30.796 29.460 0.090 0.000 1.426 416 W HN 0.249 nan 8.180 nan 0.000 0.529 417 G N 4.096 112.302 108.800 -0.990 0.000 2.614 417 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.303 417 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.303 417 G C -1.412 173.234 174.900 -0.424 0.000 1.270 417 G CA 0.511 44.974 45.100 -1.061 0.000 0.988 417 G HN 0.562 nan 8.290 nan 0.000 0.551 418 P HA 0.086 nan 4.420 nan 0.000 0.241 418 P C 0.953 178.119 177.300 -0.224 0.000 1.191 418 P CA 1.230 64.156 63.100 -0.290 0.000 0.771 418 P CB -0.075 31.402 31.700 -0.372 0.000 0.929 419 Y N 1.165 121.488 120.300 0.038 0.000 2.561 419 Y HA 0.011 4.561 4.550 -0.001 0.000 0.291 419 Y C 1.704 177.682 175.900 0.130 0.000 1.141 419 Y CA -0.020 58.171 58.100 0.151 0.000 1.303 419 Y CB -0.630 37.927 38.460 0.161 0.000 1.015 419 Y HN 0.058 nan 8.280 nan 0.000 0.547 420 R N -0.031 120.564 120.500 0.159 0.000 2.674 420 R HA 0.371 4.710 4.340 -0.001 0.000 0.266 420 R C -0.952 175.361 176.300 0.021 0.000 1.016 420 R CA -0.964 55.197 56.100 0.102 0.000 1.062 420 R CB 0.682 31.037 30.300 0.091 0.000 1.142 420 R HN -0.126 nan 8.270 nan 0.000 0.517 421 D N 0.080 120.479 120.400 -0.002 0.000 2.417 421 D HA 0.197 4.837 4.640 -0.001 0.000 0.250 421 D C 0.981 177.265 176.300 -0.027 0.000 1.166 421 D CA 1.879 55.861 54.000 -0.031 0.000 0.881 421 D CB 0.623 41.399 40.800 -0.039 0.000 1.164 421 D HN 0.774 nan 8.370 nan 0.000 0.467 422 G N 2.459 111.235 108.800 -0.041 0.000 2.176 422 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.253 422 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.253 422 G C 1.109 175.964 174.900 -0.075 0.000 0.979 422 G CA 0.459 45.528 45.100 -0.052 0.000 0.641 422 G HN 0.795 nan 8.290 nan 0.000 0.530 423 G N -0.509 108.252 108.800 -0.066 0.000 2.650 423 G HA2 0.409 4.369 3.960 -0.001 0.000 0.214 423 G HA3 0.409 4.369 3.960 -0.001 0.000 0.214 423 G C 0.619 175.451 174.900 -0.113 0.000 1.136 423 G CA 0.949 45.998 45.100 -0.084 0.000 0.789 423 G HN 0.517 nan 8.290 nan 0.000 0.536 424 M N -0.706 118.834 119.600 -0.099 0.000 2.572 424 M HA 0.225 4.704 4.480 -0.001 0.000 0.299 424 M C -0.579 175.653 176.300 -0.112 0.000 1.205 424 M CA -0.546 54.699 55.300 -0.092 0.000 0.876 424 M CB 2.629 35.219 32.600 -0.017 0.000 1.728 424 M HN -0.069 nan 8.290 nan 0.000 0.458 425 N N 3.474 122.105 118.700 -0.116 0.000 3.178 425 N HA 0.321 5.061 4.740 -0.001 0.000 0.300 425 N C -1.353 174.094 175.510 -0.106 0.000 1.242 425 N CA -0.166 52.841 53.050 -0.072 0.000 1.192 425 N CB 0.011 38.453 38.487 -0.074 0.000 1.463 425 N HN 0.502 nan 8.380 nan 0.000 0.539 426 I N -2.194 118.264 120.570 -0.186 0.000 3.042 426 I HA 0.534 4.703 4.170 -0.001 0.000 0.310 426 I C -2.276 173.414 176.117 -0.712 0.000 1.117 426 I CA -2.681 58.293 61.300 -0.543 0.000 1.003 426 I CB 1.990 39.790 38.000 -0.333 0.000 1.228 426 I HN -0.116 nan 8.210 nan 0.000 0.443 427 P HA -0.144 nan 4.420 nan 0.000 0.219 427 P C 0.476 177.607 177.300 -0.281 0.000 1.146 427 P CA 1.343 63.949 63.100 -0.823 0.000 0.808 427 P CB -0.005 31.338 31.700 -0.596 0.000 0.779 428 E N 0.299 120.382 120.200 -0.194 0.000 2.403 428 E HA -0.059 4.290 4.350 -0.001 0.000 0.188 428 E C 1.328 177.892 176.600 -0.061 0.000 1.056 428 E CA 0.087 56.446 56.400 -0.069 0.000 0.892 428 E CB -0.584 29.125 29.700 0.016 0.000 1.049 428 E HN 0.570 nan 8.360 nan 0.000 0.465 429 Q N 1.000 120.753 119.800 -0.078 0.000 2.488 429 Q HA -0.055 4.284 4.340 -0.001 0.000 0.211 429 Q C 0.457 176.431 176.000 -0.044 0.000 0.967 429 Q CA 0.804 56.575 55.803 -0.054 0.000 0.926 429 Q CB -0.175 28.539 28.738 -0.041 0.000 0.992 429 Q HN -0.050 nan 8.270 nan 0.000 0.506 430 N N 1.027 119.699 118.700 -0.047 0.000 2.672 430 N HA 0.043 4.782 4.740 -0.001 0.000 0.295 430 N C -0.924 174.535 175.510 -0.084 0.000 1.924 430 N CA -0.274 52.745 53.050 -0.052 0.000 0.851 430 N CB 0.251 38.719 38.487 -0.031 0.000 1.281 430 N HN 0.361 nan 8.380 nan 0.000 0.494 431 N N -0.207 118.413 118.700 -0.133 0.000 2.197 431 N HA 0.214 4.954 4.740 -0.001 0.000 0.228 431 N C 0.992 176.236 175.510 -0.443 0.000 1.212 431 N CA 0.382 53.288 53.050 -0.240 0.000 0.883 431 N CB 0.153 38.515 38.487 -0.209 0.000 1.107 431 N HN 0.234 nan 8.380 nan 0.000 0.519 432 G N -0.500 108.135 108.800 -0.275 0.000 2.179 432 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.260 432 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.260 432 G C -0.797 173.996 174.900 -0.178 0.000 0.977 432 G CA 0.618 45.586 45.100 -0.219 0.000 0.641 432 G HN 0.365 nan 8.290 nan 0.000 0.533 433 Y N -0.042 120.178 120.300 -0.134 0.000 2.446 433 Y HA 0.587 5.137 4.550 -0.001 0.000 0.338 433 Y C -2.158 173.492 175.900 -0.417 0.000 1.055 433 Y CA -3.649 54.200 58.100 -0.417 0.000 1.101 433 Y CB 1.085 39.421 38.460 -0.207 0.000 1.221 433 Y HN -0.129 nan 8.280 nan 0.000 0.460 434 P HA -0.019 nan 4.420 nan 0.000 0.260 434 P C 0.111 177.305 177.300 -0.177 0.000 1.185 434 P CA 0.565 63.494 63.100 -0.286 0.000 0.763 434 P CB 0.763 32.197 31.700 -0.443 0.000 0.776 435 D N 2.755 123.115 120.400 -0.067 0.000 2.149 435 D HA -0.161 4.479 4.640 -0.001 0.000 0.198 435 D C 1.648 177.944 176.300 -0.007 0.000 0.990 435 D CA 1.142 55.126 54.000 -0.026 0.000 0.839 435 D CB -0.441 40.344 40.800 -0.026 0.000 0.948 435 D HN 0.397 nan 8.370 nan 0.000 0.460 436 I N 0.183 120.744 120.570 -0.014 0.000 2.361 436 I HA -0.201 3.969 4.170 -0.001 0.000 0.251 436 I C 1.873 177.982 176.117 -0.013 0.000 1.133 436 I CA 0.799 62.108 61.300 0.016 0.000 1.413 436 I CB 0.163 38.211 38.000 0.080 0.000 1.073 436 I HN -0.022 nan 8.210 nan 0.000 0.424 437 L N 0.050 121.168 121.223 -0.174 0.000 2.156 437 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 437 L C 2.053 179.043 176.870 0.200 0.000 1.095 437 L CA 0.825 55.569 54.840 -0.159 0.000 0.770 437 L CB -0.765 40.841 42.059 -0.756 0.000 0.914 437 L HN 0.254 nan 8.230 nan 0.000 0.439 438 D N 0.120 120.619 120.400 0.165 0.000 2.123 438 D HA -0.228 4.411 4.640 -0.001 0.000 0.196 438 D C 1.999 178.440 176.300 0.236 0.000 0.992 438 D CA 1.318 55.463 54.000 0.242 0.000 0.833 438 D CB 0.139 41.042 40.800 0.171 0.000 0.954 438 D HN 0.242 nan 8.370 nan 0.000 0.455 439 E N 0.984 121.313 120.200 0.215 0.000 2.047 439 E HA -0.079 4.271 4.350 -0.001 0.000 0.191 439 E C 1.944 178.790 176.600 0.411 0.000 0.987 439 E CA 1.342 57.935 56.400 0.323 0.000 0.799 439 E CB -0.325 29.537 29.700 0.270 0.000 0.752 439 E HN 0.152 nan 8.360 nan 0.000 0.449 440 A N 0.786 123.779 122.820 0.290 0.000 1.908 440 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 440 A C 2.278 179.911 177.584 0.081 0.000 1.181 440 A CA 1.941 54.113 52.037 0.226 0.000 0.627 440 A CB -0.659 18.453 19.000 0.186 0.000 0.818 440 A HN 0.262 nan 8.150 nan 0.000 0.445 441 R N -1.452 119.129 120.500 0.135 0.000 2.120 441 R HA -0.185 4.155 4.340 -0.001 0.000 0.234 441 R C 2.093 178.321 176.300 -0.120 0.000 1.123 441 R CA 1.475 57.548 56.100 -0.046 0.000 0.975 441 R CB -0.362 29.794 30.300 -0.239 0.000 0.866 441 R HN 0.806 nan 8.270 nan 0.000 0.446 442 W N 1.528 122.711 121.300 -0.194 0.000 2.321 442 W HA -0.251 4.409 4.660 -0.001 0.000 0.306 442 W C 1.592 177.819 176.519 -0.486 0.000 1.217 442 W CA 2.084 59.274 57.345 -0.258 0.000 1.257 442 W CB -0.093 29.290 29.460 -0.128 0.000 1.145 442 W HN 0.212 nan 8.180 nan 0.000 0.509 443 E N 0.328 120.136 120.200 -0.654 0.000 2.072 443 E HA -0.170 4.180 4.350 -0.001 0.000 0.190 443 E C 2.045 178.175 176.600 -0.782 0.000 0.982 443 E CA 1.471 57.292 56.400 -0.964 0.000 0.803 443 E CB -0.683 28.058 29.700 -1.598 0.000 0.755 443 E HN 0.024 nan 8.360 nan 0.000 0.453 444 I N 1.542 121.761 120.570 -0.584 0.000 2.286 444 I HA -0.205 3.965 4.170 -0.001 0.000 0.248 444 I C 1.962 177.947 176.117 -0.221 0.000 1.115 444 I CA 1.323 62.377 61.300 -0.409 0.000 1.392 444 I CB -1.104 36.814 38.000 -0.137 0.000 1.065 444 I HN 0.246 nan 8.210 nan 0.000 0.418 445 E N 0.244 120.315 120.200 -0.216 0.000 2.110 445 E HA -0.240 4.110 4.350 -0.001 0.000 0.193 445 E C 2.158 178.686 176.600 -0.121 0.000 0.988 445 E CA 1.092 57.388 56.400 -0.173 0.000 0.804 445 E CB -0.517 28.993 29.700 -0.317 0.000 0.745 445 E HN 0.554 nan 8.360 nan 0.000 0.458 446 F N 0.669 120.437 119.950 -0.302 0.000 2.113 446 F HA -0.168 4.358 4.527 -0.001 0.000 0.297 446 F C 2.199 178.062 175.800 0.106 0.000 1.103 446 F CA 1.213 59.115 58.000 -0.162 0.000 1.248 446 F CB -0.390 38.476 39.000 -0.224 0.000 0.999 446 F HN -0.101 nan 8.300 nan 0.000 0.475 447 F N 1.869 121.568 119.950 -0.418 0.000 2.091 447 F HA -0.311 4.215 4.527 -0.001 0.000 0.299 447 F C 2.587 178.349 175.800 -0.064 0.000 1.103 447 F CA 1.372 59.162 58.000 -0.350 0.000 1.228 447 F CB -0.518 38.348 39.000 -0.223 0.000 0.984 447 F HN 0.073 nan 8.300 nan 0.000 0.477 448 K N 0.936 121.422 120.400 0.143 0.000 2.147 448 K HA -0.167 4.152 4.320 -0.001 0.000 0.205 448 K C 1.546 178.204 176.600 0.098 0.000 1.049 448 K CA 1.279 57.693 56.287 0.212 0.000 0.936 448 K CB -0.491 32.047 32.500 0.062 0.000 0.722 448 K HN 0.274 nan 8.250 nan 0.000 0.446 449 K N 0.202 120.599 120.400 -0.005 0.000 2.211 449 K HA 0.047 4.366 4.320 -0.001 0.000 0.203 449 K C 1.978 178.550 176.600 -0.046 0.000 1.050 449 K CA 0.950 57.221 56.287 -0.026 0.000 0.945 449 K CB -0.031 32.460 32.500 -0.014 0.000 0.732 449 K HN 0.193 nan 8.250 nan 0.000 0.451 450 M N 0.761 120.286 119.600 -0.124 0.000 2.619 450 M HA -0.020 4.460 4.480 -0.001 0.000 0.251 450 M C 0.811 177.092 176.300 -0.031 0.000 1.106 450 M CA 0.712 55.952 55.300 -0.100 0.000 1.086 450 M CB -0.378 32.057 32.600 -0.274 0.000 1.465 450 M HN 0.153 nan 8.290 nan 0.000 0.506 451 Q N 1.433 121.174 119.800 -0.098 0.000 2.304 451 Q HA 0.225 4.564 4.340 -0.001 0.000 0.260 451 Q C -0.840 175.086 176.000 -0.122 0.000 0.965 451 Q CA -0.242 55.415 55.803 -0.244 0.000 0.898 451 Q CB 1.235 29.759 28.738 -0.356 0.000 1.196 451 Q HN 0.022 nan 8.270 nan 0.000 0.402 452 V N 4.275 124.092 119.914 -0.161 0.000 2.572 452 V HA 0.121 4.240 4.120 -0.001 0.000 0.291 452 V C 0.664 176.662 176.094 -0.159 0.000 1.039 452 V CA -0.133 62.087 62.300 -0.134 0.000 1.055 452 V CB 0.694 32.412 31.823 -0.176 0.000 0.969 452 V HN 0.973 nan 8.190 nan 0.000 0.482 453 T N 0.771 115.226 114.554 -0.166 0.000 2.912 453 T HA 0.349 4.699 4.350 -0.001 0.000 0.280 453 T C 0.905 175.515 174.700 -0.149 0.000 0.989 453 T CA -0.445 61.571 62.100 -0.141 0.000 0.995 453 T CB 1.582 70.374 68.868 -0.125 0.000 1.077 453 T HN 0.564 nan 8.240 nan 0.000 0.531 454 E N 0.474 120.609 120.200 -0.109 0.000 2.085 454 E HA -0.154 4.195 4.350 -0.001 0.000 0.194 454 E C 2.022 178.558 176.600 -0.107 0.000 0.994 454 E CA 1.529 57.873 56.400 -0.093 0.000 0.801 454 E CB -0.216 29.446 29.700 -0.064 0.000 0.743 454 E HN 0.732 nan 8.360 nan 0.000 0.453 455 K N -0.011 120.320 120.400 -0.115 0.000 2.147 455 K HA -0.184 4.136 4.320 -0.001 0.000 0.205 455 K C 1.856 178.348 176.600 -0.180 0.000 1.049 455 K CA 1.524 57.740 56.287 -0.118 0.000 0.936 455 K CB 0.008 32.448 32.500 -0.100 0.000 0.722 455 K HN 0.185 nan 8.250 nan 0.000 0.446 456 E N -0.296 119.728 120.200 -0.294 0.000 2.051 456 E HA -0.092 4.257 4.350 -0.001 0.000 0.189 456 E C -0.025 176.336 176.600 -0.398 0.000 0.979 456 E CA 0.769 56.823 56.400 -0.577 0.000 0.803 456 E CB 0.332 29.451 29.700 -0.967 0.000 0.761 456 E HN 0.106 nan 8.360 nan 0.000 0.451 457 D N -1.750 118.504 120.400 -0.244 0.000 2.296 457 D HA 0.080 4.719 4.640 -0.001 0.000 0.224 457 D C -2.401 173.841 176.300 -0.096 0.000 1.324 457 D CA -1.422 52.511 54.000 -0.112 0.000 0.940 457 D CB 1.078 41.853 40.800 -0.042 0.000 1.492 457 D HN -0.246 nan 8.370 nan 0.000 0.531 458 P HA -0.133 nan 4.420 nan 0.000 0.219 458 P C 1.448 178.728 177.300 -0.034 0.000 1.146 458 P CA 1.116 64.185 63.100 -0.051 0.000 0.808 458 P CB 0.231 31.910 31.700 -0.035 0.000 0.779 459 S N -0.214 115.469 115.700 -0.029 0.000 2.423 459 S HA -0.112 4.357 4.470 -0.001 0.000 0.231 459 S C 1.500 176.082 174.600 -0.030 0.000 1.014 459 S CA 1.199 59.399 58.200 -0.001 0.000 0.965 459 S CB -1.241 61.959 63.200 -0.000 0.000 0.785 459 S HN 0.365 nan 8.310 nan 0.000 0.495 460 I N -1.990 118.499 120.570 -0.134 0.000 3.813 460 I HA 0.631 4.800 4.170 -0.001 0.000 0.323 460 I C 0.339 176.334 176.117 -0.203 0.000 1.536 460 I CA -0.940 60.184 61.300 -0.293 0.000 1.083 460 I CB 0.121 37.876 38.000 -0.408 0.000 1.265 460 I HN 0.183 nan 8.210 nan 0.000 0.507 461 A N 1.613 124.358 122.820 -0.124 0.000 2.567 461 A HA 0.416 4.736 4.320 -0.001 0.000 0.240 461 A C 1.618 179.129 177.584 -0.122 0.000 1.053 461 A CA 1.138 53.102 52.037 -0.122 0.000 0.755 461 A CB -0.571 18.377 19.000 -0.086 0.000 0.978 461 A HN 1.365 nan 8.150 nan 0.000 0.507 462 G N 1.281 109.981 108.800 -0.166 0.000 2.241 462 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.244 462 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.244 462 G C 0.386 175.113 174.900 -0.289 0.000 0.998 462 G CA 0.349 45.332 45.100 -0.195 0.000 0.621 462 G HN 0.666 nan 8.290 nan 0.000 0.519 463 M N 0.650 120.085 119.600 -0.275 0.000 2.198 463 M HA 0.531 5.011 4.480 -0.001 0.000 0.315 463 M C 0.556 176.615 176.300 -0.402 0.000 1.134 463 M CA -0.015 55.092 55.300 -0.322 0.000 1.171 463 M CB 1.051 33.456 32.600 -0.325 0.000 1.413 463 M HN 0.058 nan 8.290 nan 0.000 0.467 464 V N 1.581 121.256 119.914 -0.398 0.000 2.540 464 V HA 0.259 4.379 4.120 -0.001 0.000 0.302 464 V C 0.146 176.090 176.094 -0.250 0.000 1.035 464 V CA -0.954 61.113 62.300 -0.388 0.000 0.873 464 V CB 1.490 33.018 31.823 -0.492 0.000 0.992 464 V HN 0.649 nan 8.190 nan 0.000 0.428 465 H N 3.928 122.913 119.070 -0.141 0.000 3.034 465 H HA 0.003 4.559 4.556 -0.001 0.000 0.324 465 H C 1.169 176.482 175.328 -0.025 0.000 1.015 465 H CA 0.811 56.826 56.048 -0.055 0.000 1.429 465 H CB 0.841 30.583 29.762 -0.033 0.000 1.429 465 H HN 0.785 nan 8.280 nan 0.000 0.585 466 H N 3.414 122.509 119.070 0.042 0.000 2.321 466 H HA -0.077 4.478 4.556 -0.001 0.000 0.300 466 H C 0.199 175.578 175.328 0.085 0.000 1.087 466 H CA 1.484 57.557 56.048 0.041 0.000 1.319 466 H CB 0.639 30.435 29.762 0.055 0.000 1.379 466 H HN 0.650 nan 8.280 nan 0.000 0.501 467 K N -0.505 119.951 120.400 0.093 0.000 2.658 467 K HA 0.311 4.631 4.320 -0.001 0.000 0.293 467 K C -1.786 174.783 176.600 -0.051 0.000 1.026 467 K CA -0.852 55.425 56.287 -0.016 0.000 0.871 467 K CB 1.673 34.124 32.500 -0.082 0.000 1.524 467 K HN 0.033 nan 8.250 nan 0.000 0.400 468 I N 2.097 122.599 120.570 -0.113 0.000 2.656 468 I HA 0.517 4.687 4.170 -0.001 0.000 0.292 468 I C -1.405 174.614 176.117 -0.162 0.000 1.144 468 I CA 0.025 61.241 61.300 -0.141 0.000 1.038 468 I CB 1.798 39.790 38.000 -0.014 0.000 1.244 468 I HN 1.017 nan 8.210 nan 0.000 0.420 469 H N 3.775 122.825 119.070 -0.033 0.000 2.849 469 H HA 0.301 4.856 4.556 -0.001 0.000 0.271 469 H C -1.587 173.744 175.328 0.005 0.000 1.461 469 H CA -0.846 55.150 56.048 -0.088 0.000 1.146 469 H CB 0.602 30.240 29.762 -0.206 0.000 1.834 469 H HN 0.332 nan 8.280 nan 0.000 0.555 470 D N 0.537 121.064 120.400 0.211 0.000 2.449 470 D HA -0.028 4.611 4.640 -0.001 0.000 0.236 470 D C 0.857 177.341 176.300 0.306 0.000 1.149 470 D CA 0.070 54.158 54.000 0.148 0.000 0.878 470 D CB 0.658 41.485 40.800 0.046 0.000 1.198 470 D HN 0.340 nan 8.370 nan 0.000 0.446 471 F N 1.795 121.758 119.950 0.022 0.000 2.134 471 F HA -0.131 4.396 4.527 -0.001 0.000 0.299 471 F C 0.903 176.791 175.800 0.147 0.000 1.097 471 F CA 1.555 59.563 58.000 0.014 0.000 1.264 471 F CB 0.357 39.347 39.000 -0.016 0.000 1.001 471 F HN 0.082 nan 8.300 nan 0.000 0.479 472 R N -1.774 118.755 120.500 0.049 0.000 2.867 472 R HA 0.161 4.500 4.340 -0.001 0.000 0.268 472 R C -1.534 174.745 176.300 -0.035 0.000 1.014 472 R CA -0.993 55.073 56.100 -0.057 0.000 0.946 472 R CB -0.076 30.239 30.300 0.026 0.000 1.208 472 R HN 0.067 nan 8.270 nan 0.000 0.477 473 W N 1.323 122.624 121.300 0.003 0.000 2.216 473 W HA 0.133 4.792 4.660 -0.001 0.000 0.326 473 W C 1.065 177.577 176.519 -0.011 0.000 1.319 473 W CA 0.218 57.544 57.345 -0.030 0.000 1.213 473 W CB 0.718 30.123 29.460 -0.091 0.000 1.171 473 W HN 0.470 nan 8.180 nan 0.000 0.557 474 T N 0.342 115.066 114.554 0.283 0.000 2.936 474 T HA 0.806 5.155 4.350 -0.001 0.000 0.282 474 T C 0.046 174.814 174.700 0.114 0.000 1.003 474 T CA -1.067 61.127 62.100 0.155 0.000 1.005 474 T CB 1.466 70.397 68.868 0.105 0.000 1.097 474 T HN 0.533 nan 8.240 nan 0.000 0.532 475 A N 1.100 123.958 122.820 0.065 0.000 2.264 475 A HA 0.685 5.005 4.320 -0.001 0.000 0.304 475 A C 0.422 177.990 177.584 -0.027 0.000 1.100 475 A CA -1.018 51.041 52.037 0.036 0.000 0.839 475 A CB -0.001 19.029 19.000 0.050 0.000 1.121 475 A HN 0.910 nan 8.150 nan 0.000 0.496 476 L N 0.329 121.520 121.223 -0.053 0.000 2.479 476 L HA 0.407 4.747 4.340 -0.001 0.000 0.270 476 L C 1.323 178.087 176.870 -0.177 0.000 1.236 476 L CA 1.017 55.766 54.840 -0.152 0.000 0.823 476 L CB 0.019 41.992 42.059 -0.144 0.000 1.098 476 L HN 1.244 nan 8.230 nan 0.000 0.500 477 G N 2.445 111.011 108.800 -0.389 0.000 2.325 477 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.248 477 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.248 477 G C -0.570 174.156 174.900 -0.290 0.000 1.108 477 G CA 0.126 44.831 45.100 -0.659 0.000 0.881 477 G HN 0.694 nan 8.290 nan 0.000 0.494 478 M N -1.421 118.017 119.600 -0.270 0.000 2.471 478 M HA 0.793 5.273 4.480 -0.001 0.000 0.284 478 M C -0.864 175.372 176.300 -0.108 0.000 1.203 478 M CA -1.222 54.026 55.300 -0.086 0.000 0.915 478 M CB 1.436 34.012 32.600 -0.039 0.000 1.734 478 M HN -0.000 nan 8.290 nan 0.000 0.485 479 L N 1.672 122.772 121.223 -0.205 0.000 2.375 479 L HA 0.530 4.869 4.340 -0.001 0.000 0.268 479 L C -1.843 174.779 176.870 -0.414 0.000 1.058 479 L CA -2.069 52.568 54.840 -0.339 0.000 0.803 479 L CB 0.818 42.627 42.059 -0.416 0.000 1.212 479 L HN 0.537 nan 8.230 nan 0.000 0.451 480 P HA -0.227 nan 4.420 nan 0.000 0.216 480 P C 1.373 178.281 177.300 -0.653 0.000 1.154 480 P CA 1.549 64.079 63.100 -0.949 0.000 0.865 480 P CB -0.201 31.129 31.700 -0.616 0.000 0.789 481 H N -0.582 118.240 119.070 -0.414 0.000 2.545 481 H HA 0.056 4.612 4.556 -0.001 0.000 0.282 481 H C 1.069 176.237 175.328 -0.267 0.000 1.020 481 H CA 0.992 56.843 56.048 -0.327 0.000 1.243 481 H CB -0.476 29.166 29.762 -0.201 0.000 1.377 481 H HN 0.246 nan 8.280 nan 0.000 0.581 482 E N 0.653 120.416 120.200 -0.728 0.000 2.400 482 E HA -0.042 4.308 4.350 -0.001 0.000 0.195 482 E C 0.073 176.519 176.600 -0.256 0.000 1.012 482 E CA -0.066 56.039 56.400 -0.492 0.000 0.875 482 E CB 0.288 29.706 29.700 -0.470 0.000 0.859 482 E HN 0.298 nan 8.360 nan 0.000 0.498 483 D N 2.191 122.438 120.400 -0.255 0.000 2.426 483 D HA -0.051 4.589 4.640 -0.001 0.000 0.261 483 D C -1.658 174.607 176.300 -0.058 0.000 1.245 483 D CA -1.424 52.529 54.000 -0.078 0.000 0.917 483 D CB 1.007 41.825 40.800 0.030 0.000 1.123 483 D HN -0.017 nan 8.370 nan 0.000 0.508 484 P HA 0.010 nan 4.420 nan 0.000 0.261 484 P C 0.042 177.340 177.300 -0.002 0.000 1.268 484 P CA -0.025 63.062 63.100 -0.021 0.000 0.833 484 P CB 0.392 32.084 31.700 -0.013 0.000 1.231 485 Q N 1.265 121.084 119.800 0.031 0.000 2.373 485 Q HA 0.211 4.550 4.340 -0.001 0.000 0.255 485 Q C -2.145 173.827 176.000 -0.047 0.000 0.980 485 Q CA -1.676 54.145 55.803 0.031 0.000 0.882 485 Q CB -0.377 28.408 28.738 0.078 0.000 1.249 485 Q HN 0.159 nan 8.270 nan 0.000 0.438 486 P HA -0.006 nan 4.420 nan 0.000 0.265 486 P C -0.518 176.503 177.300 -0.466 0.000 1.187 486 P CA 0.458 63.333 63.100 -0.374 0.000 0.766 486 P CB 0.580 32.000 31.700 -0.467 0.000 0.820 487 R N 2.690 122.816 120.500 -0.625 0.000 2.514 487 R HA 0.554 4.893 4.340 -0.001 0.000 0.301 487 R C -0.745 175.120 176.300 -0.725 0.000 0.962 487 R CA -0.535 55.285 56.100 -0.465 0.000 0.882 487 R CB 1.068 31.225 30.300 -0.238 0.000 1.143 487 R HN 0.505 nan 8.270 nan 0.000 0.452 488 Y N 0.721 120.909 120.300 -0.187 0.000 2.553 488 Y HA 0.406 4.955 4.550 -0.001 0.000 0.347 488 Y C 0.035 175.918 175.900 -0.028 0.000 1.019 488 Y CA -0.929 57.061 58.100 -0.183 0.000 1.032 488 Y CB 1.685 39.867 38.460 -0.464 0.000 1.284 488 Y HN 0.291 nan 8.280 nan 0.000 0.466 489 L N 3.888 125.196 121.223 0.142 0.000 2.281 489 L HA 0.470 4.809 4.340 -0.001 0.000 0.285 489 L C 0.255 177.246 176.870 0.203 0.000 1.074 489 L CA -0.773 54.068 54.840 0.001 0.000 0.817 489 L CB 0.269 42.100 42.059 -0.381 0.000 1.168 489 L HN 0.442 nan 8.230 nan 0.000 0.434 490 R N 3.014 123.590 120.500 0.126 0.000 2.679 490 R HA 0.314 4.653 4.340 -0.001 0.000 0.269 490 R C -2.224 174.203 176.300 0.212 0.000 1.076 490 R CA -1.898 54.238 56.100 0.060 0.000 1.160 490 R CB -0.027 30.239 30.300 -0.056 0.000 1.054 490 R HN 0.268 nan 8.270 nan 0.000 0.507 491 P HA -0.037 nan 4.420 nan 0.000 0.271 491 P C -0.160 177.129 177.300 -0.018 0.000 1.244 491 P CA -0.363 62.764 63.100 0.044 0.000 0.793 491 P CB 0.303 31.981 31.700 -0.038 0.000 0.984 492 V N -1.271 118.523 119.914 -0.201 0.000 3.139 492 V HA 0.467 4.587 4.120 -0.001 0.000 0.307 492 V C 0.071 176.087 176.094 -0.129 0.000 1.095 492 V CA -0.015 62.147 62.300 -0.229 0.000 1.160 492 V CB 0.146 31.764 31.823 -0.342 0.000 1.003 492 V HN 0.727 nan 8.190 nan 0.000 0.489 493 S N 0.795 116.446 115.700 -0.082 0.000 2.569 493 S HA 0.453 4.923 4.470 -0.001 0.000 0.280 493 S C 0.482 175.038 174.600 -0.073 0.000 1.111 493 S CA -0.004 58.156 58.200 -0.068 0.000 0.887 493 S CB 1.445 64.629 63.200 -0.027 0.000 1.095 493 S HN 0.835 nan 8.310 nan 0.000 0.476 494 T N 1.965 116.467 114.554 -0.087 0.000 2.720 494 T HA -0.081 4.268 4.350 -0.001 0.000 0.268 494 T C 2.189 176.813 174.700 -0.127 0.000 1.037 494 T CA 1.877 63.899 62.100 -0.131 0.000 1.144 494 T CB -0.838 67.959 68.868 -0.118 0.000 0.864 494 T HN 0.894 nan 8.240 nan 0.000 0.444 495 A N 1.621 124.443 122.820 0.004 0.000 1.883 495 A HA 0.076 4.396 4.320 -0.001 0.000 0.217 495 A C 2.684 180.305 177.584 0.062 0.000 1.186 495 A CA 2.021 54.099 52.037 0.068 0.000 0.624 495 A CB -1.240 17.893 19.000 0.223 0.000 0.822 495 A HN 0.522 nan 8.150 nan 0.000 0.444 496 A N -1.067 121.813 122.820 0.100 0.000 1.877 496 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 496 A C 2.303 179.825 177.584 -0.103 0.000 1.186 496 A CA 2.378 54.416 52.037 0.001 0.000 0.620 496 A CB -1.412 17.607 19.000 0.031 0.000 0.822 496 A HN 0.448 nan 8.150 nan 0.000 0.443 497 T N 0.394 114.863 114.554 -0.142 0.000 2.759 497 T HA -0.120 4.229 4.350 -0.001 0.000 0.269 497 T C 1.752 176.378 174.700 -0.123 0.000 1.042 497 T CA 1.621 63.597 62.100 -0.207 0.000 1.140 497 T CB -0.342 68.388 68.868 -0.230 0.000 0.864 497 T HN 0.375 nan 8.240 nan 0.000 0.455 498 L N 0.348 121.474 121.223 -0.161 0.000 2.131 498 L HA 0.036 4.375 4.340 -0.001 0.000 0.206 498 L C 2.432 179.162 176.870 -0.233 0.000 1.087 498 L CA 0.789 55.518 54.840 -0.186 0.000 0.767 498 L CB -0.508 41.370 42.059 -0.302 0.000 0.917 498 L HN 0.178 nan 8.230 nan 0.000 0.441 499 N N 0.052 118.660 118.700 -0.154 0.000 2.061 499 N HA -0.267 4.472 4.740 -0.001 0.000 0.193 499 N C 1.614 177.018 175.510 -0.175 0.000 1.030 499 N CA 1.564 54.508 53.050 -0.176 0.000 0.856 499 N CB -0.287 38.224 38.487 0.041 0.000 1.023 499 N HN 0.198 nan 8.380 nan 0.000 0.424 500 F N 1.167 120.935 119.950 -0.302 0.000 2.102 500 F HA -0.078 4.448 4.527 -0.001 0.000 0.298 500 F C 2.135 177.840 175.800 -0.158 0.000 1.105 500 F CA 1.424 59.281 58.000 -0.238 0.000 1.239 500 F CB -0.665 38.162 39.000 -0.287 0.000 0.991 500 F HN 0.040 nan 8.300 nan 0.000 0.474 501 A N 0.478 123.400 122.820 0.170 0.000 1.902 501 A HA -0.049 4.271 4.320 -0.001 0.000 0.217 501 A C 2.426 179.892 177.584 -0.197 0.000 1.181 501 A CA 1.913 53.982 52.037 0.054 0.000 0.623 501 A CB -1.603 17.461 19.000 0.106 0.000 0.818 501 A HN 0.545 nan 8.150 nan 0.000 0.443 502 A N -0.287 122.293 122.820 -0.400 0.000 1.877 502 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 502 A C 2.464 179.880 177.584 -0.280 0.000 1.186 502 A CA 2.637 54.303 52.037 -0.618 0.000 0.620 502 A CB -1.377 16.635 19.000 -1.647 0.000 0.822 502 A HN 0.743 nan 8.150 nan 0.000 0.443 503 T N -2.416 112.044 114.554 -0.156 0.000 2.942 503 T HA 0.015 4.365 4.350 -0.001 0.000 0.265 503 T C 1.622 176.305 174.700 -0.029 0.000 1.062 503 T CA 1.288 63.438 62.100 0.082 0.000 1.139 503 T CB -0.338 68.695 68.868 0.275 0.000 0.883 503 T HN 0.080 nan 8.240 nan 0.000 0.468 504 L N 1.408 122.520 121.223 -0.186 0.000 2.201 504 L HA 0.305 4.644 4.340 -0.001 0.000 0.212 504 L C 2.983 179.741 176.870 -0.187 0.000 1.105 504 L CA 1.284 55.962 54.840 -0.271 0.000 0.775 504 L CB -0.935 40.825 42.059 -0.498 0.000 0.913 504 L HN 0.400 nan 8.230 nan 0.000 0.440 505 A N -1.225 121.498 122.820 -0.162 0.000 1.898 505 A HA -0.243 4.076 4.320 -0.001 0.000 0.216 505 A C 2.293 179.834 177.584 -0.071 0.000 1.181 505 A CA 1.583 53.532 52.037 -0.146 0.000 0.620 505 A CB -0.484 18.388 19.000 -0.213 0.000 0.819 505 A HN 0.485 nan 8.150 nan 0.000 0.442 506 Q N -0.455 119.338 119.800 -0.012 0.000 2.046 506 Q HA -0.160 4.179 4.340 -0.001 0.000 0.200 506 Q C 2.332 178.376 176.000 0.074 0.000 0.975 506 Q CA 1.816 57.652 55.803 0.055 0.000 0.836 506 Q CB -0.248 28.565 28.738 0.125 0.000 0.896 506 Q HN 0.597 nan 8.270 nan 0.000 0.428 507 S N -0.284 115.464 115.700 0.078 0.000 2.374 507 S HA -0.223 4.247 4.470 -0.001 0.000 0.227 507 S C 1.929 176.641 174.600 0.187 0.000 1.037 507 S CA 1.423 59.733 58.200 0.182 0.000 1.024 507 S CB -0.406 62.846 63.200 0.086 0.000 0.861 507 S HN 0.548 nan 8.310 nan 0.000 0.456 508 A N 2.516 125.344 122.820 0.012 0.000 1.902 508 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 508 A C 2.157 179.777 177.584 0.060 0.000 1.181 508 A CA 1.753 53.782 52.037 -0.013 0.000 0.623 508 A CB -0.763 18.180 19.000 -0.095 0.000 0.818 508 A HN 0.830 nan 8.150 nan 0.000 0.443 509 R N -0.300 120.227 120.500 0.046 0.000 2.115 509 R HA 0.107 4.447 4.340 -0.001 0.000 0.226 509 R C 1.628 177.980 176.300 0.086 0.000 1.100 509 R CA 1.437 57.565 56.100 0.047 0.000 0.980 509 R CB -0.587 29.722 30.300 0.015 0.000 0.875 509 R HN 0.440 nan 8.270 nan 0.000 0.445 510 L N -1.048 120.245 121.223 0.117 0.000 2.240 510 L HA 0.047 4.387 4.340 -0.001 0.000 0.211 510 L C 1.402 178.291 176.870 0.031 0.000 1.106 510 L CA 0.793 55.689 54.840 0.093 0.000 0.793 510 L CB -0.175 41.916 42.059 0.054 0.000 0.927 510 L HN 0.206 nan 8.230 nan 0.000 0.446 511 W N 0.381 121.741 121.300 0.100 0.000 3.278 511 W HA 0.050 4.709 4.660 -0.001 0.000 0.308 511 W C 2.412 178.990 176.519 0.098 0.000 1.253 511 W CA -0.156 57.267 57.345 0.129 0.000 1.759 511 W CB 0.259 29.831 29.460 0.186 0.000 1.093 511 W HN 0.014 nan 8.180 nan 0.000 0.648 512 K N 0.594 121.128 120.400 0.224 0.000 2.160 512 K HA -0.217 4.103 4.320 -0.001 0.000 0.206 512 K C 0.715 177.367 176.600 0.088 0.000 1.047 512 K CA 2.103 58.467 56.287 0.128 0.000 0.930 512 K CB -0.200 32.338 32.500 0.064 0.000 0.720 512 K HN 0.083 nan 8.250 nan 0.000 0.450 513 D N -0.920 119.500 120.400 0.033 0.000 2.380 513 D HA -0.009 4.630 4.640 -0.001 0.000 0.212 513 D C 1.657 177.932 176.300 -0.043 0.000 1.021 513 D CA 0.475 54.440 54.000 -0.059 0.000 0.884 513 D CB -0.077 40.608 40.800 -0.192 0.000 1.001 513 D HN 0.198 nan 8.370 nan 0.000 0.506 514 Y N 0.942 121.313 120.300 0.118 0.000 2.220 514 Y HA -0.016 4.533 4.550 -0.001 0.000 0.291 514 Y C 0.843 176.893 175.900 0.251 0.000 1.129 514 Y CA 0.825 59.027 58.100 0.170 0.000 1.161 514 Y CB 0.400 38.840 38.460 -0.034 0.000 0.997 514 Y HN -0.191 nan 8.280 nan 0.000 0.522 515 D N -1.644 119.008 120.400 0.420 0.000 2.472 515 D HA 0.209 4.848 4.640 -0.001 0.000 0.248 515 D C -2.436 174.007 176.300 0.239 0.000 1.271 515 D CA -1.964 52.209 54.000 0.288 0.000 0.888 515 D CB 1.099 41.969 40.800 0.117 0.000 1.337 515 D HN -0.083 nan 8.370 nan 0.000 0.526 516 P HA -0.113 nan 4.420 nan 0.000 0.216 516 P C 1.381 178.726 177.300 0.075 0.000 1.153 516 P CA 1.253 64.418 63.100 0.109 0.000 0.858 516 P CB 0.407 32.154 31.700 0.079 0.000 0.789 517 T N -0.821 113.780 114.554 0.079 0.000 2.674 517 T HA -0.185 4.165 4.350 -0.001 0.000 0.265 517 T C 1.488 176.208 174.700 0.033 0.000 1.039 517 T CA 1.254 63.383 62.100 0.048 0.000 1.150 517 T CB -1.128 67.773 68.868 0.055 0.000 0.864 517 T HN 0.084 nan 8.240 nan 0.000 0.427 518 F N 1.910 121.793 119.950 -0.112 0.000 2.134 518 F HA -0.051 4.476 4.527 -0.001 0.000 0.299 518 F C 2.441 178.138 175.800 -0.170 0.000 1.097 518 F CA 1.172 59.045 58.000 -0.212 0.000 1.264 518 F CB -0.390 38.360 39.000 -0.417 0.000 1.001 518 F HN 0.145 nan 8.300 nan 0.000 0.479 519 A N 0.552 123.297 122.820 -0.125 0.000 1.877 519 A HA -0.085 4.235 4.320 -0.001 0.000 0.216 519 A C 2.381 179.857 177.584 -0.180 0.000 1.186 519 A CA 1.711 53.657 52.037 -0.151 0.000 0.620 519 A CB -1.583 17.465 19.000 0.080 0.000 0.822 519 A HN 0.523 nan 8.150 nan 0.000 0.443 520 A N -0.209 122.550 122.820 -0.103 0.000 1.933 520 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 520 A C 1.827 179.335 177.584 -0.127 0.000 1.175 520 A CA 2.214 54.200 52.037 -0.085 0.000 0.628 520 A CB -0.728 18.248 19.000 -0.040 0.000 0.814 520 A HN 0.581 nan 8.150 nan 0.000 0.444 521 D N -1.080 119.214 120.400 -0.176 0.000 2.117 521 D HA -0.131 4.509 4.640 -0.001 0.000 0.198 521 D C 1.833 177.976 176.300 -0.261 0.000 0.982 521 D CA 1.529 55.417 54.000 -0.186 0.000 0.828 521 D CB -0.299 40.397 40.800 -0.174 0.000 0.967 521 D HN 0.395 nan 8.370 nan 0.000 0.464 522 C N -0.087 118.942 119.300 -0.453 0.000 2.398 522 C HA -0.110 4.349 4.460 -0.001 0.000 0.276 522 C C 2.571 177.407 174.990 -0.256 0.000 1.222 522 C CA 0.583 59.325 59.018 -0.459 0.000 1.746 522 C CB -1.148 26.221 27.740 -0.618 0.000 2.039 522 C HN 0.477 nan 8.230 nan 0.000 0.470 523 L N 1.359 122.468 121.223 -0.190 0.000 2.027 523 L HA -0.084 4.256 4.340 -0.001 0.000 0.206 523 L C 2.506 179.342 176.870 -0.057 0.000 1.074 523 L CA 2.138 56.910 54.840 -0.113 0.000 0.745 523 L CB -1.144 40.865 42.059 -0.084 0.000 0.898 523 L HN 0.424 nan 8.230 nan 0.000 0.433 524 E N -0.621 119.549 120.200 -0.051 0.000 2.085 524 E HA -0.262 4.088 4.350 -0.001 0.000 0.194 524 E C 1.842 178.458 176.600 0.027 0.000 0.994 524 E CA 1.285 57.679 56.400 -0.009 0.000 0.801 524 E CB 0.091 29.779 29.700 -0.020 0.000 0.743 524 E HN 0.333 nan 8.360 nan 0.000 0.453 525 K N 0.150 120.566 120.400 0.027 0.000 2.103 525 K HA -0.023 4.296 4.320 -0.001 0.000 0.204 525 K C 1.956 178.722 176.600 0.277 0.000 1.052 525 K CA 0.986 57.359 56.287 0.145 0.000 0.945 525 K CB -0.518 32.096 32.500 0.190 0.000 0.722 525 K HN 0.204 nan 8.250 nan 0.000 0.443 526 A N 1.720 124.625 122.820 0.142 0.000 1.877 526 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 526 A C 2.045 179.726 177.584 0.162 0.000 1.186 526 A CA 1.570 53.693 52.037 0.143 0.000 0.620 526 A CB -0.371 18.595 19.000 -0.056 0.000 0.822 526 A HN 0.382 nan 8.150 nan 0.000 0.443 527 E N -0.504 119.769 120.200 0.121 0.000 2.150 527 E HA -0.106 4.244 4.350 -0.001 0.000 0.193 527 E C 1.860 178.598 176.600 0.230 0.000 0.985 527 E CA 0.937 57.456 56.400 0.199 0.000 0.814 527 E CB -0.261 29.541 29.700 0.169 0.000 0.752 527 E HN 0.695 nan 8.360 nan 0.000 0.466 528 I N 1.280 121.940 120.570 0.149 0.000 2.226 528 I HA -0.272 3.898 4.170 -0.001 0.000 0.245 528 I C 2.528 178.689 176.117 0.074 0.000 1.100 528 I CA 0.993 62.351 61.300 0.096 0.000 1.374 528 I CB -0.210 37.819 38.000 0.047 0.000 1.057 528 I HN 0.068 nan 8.210 nan 0.000 0.413 529 A N 0.517 123.389 122.820 0.087 0.000 1.930 529 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 529 A C 2.252 179.884 177.584 0.079 0.000 1.175 529 A CA 1.218 53.251 52.037 -0.007 0.000 0.627 529 A CB -1.060 17.943 19.000 0.004 0.000 0.815 529 A HN 0.739 nan 8.150 nan 0.000 0.443 530 W N 0.639 121.947 121.300 0.013 0.000 2.355 530 W HA -0.186 4.474 4.660 -0.001 0.000 0.309 530 W C 1.789 178.353 176.519 0.075 0.000 1.206 530 W CA 2.003 59.375 57.345 0.045 0.000 1.284 530 W CB -0.256 29.266 29.460 0.104 0.000 1.145 530 W HN 0.379 nan 8.180 nan 0.000 0.502 531 Q N 0.483 120.355 119.800 0.120 0.000 2.119 531 Q HA -0.123 4.216 4.340 -0.001 0.000 0.201 531 Q C 2.453 178.411 176.000 -0.071 0.000 0.972 531 Q CA 1.835 57.632 55.803 -0.011 0.000 0.847 531 Q CB -0.988 27.807 28.738 0.095 0.000 0.903 531 Q HN 0.403 nan 8.270 nan 0.000 0.433 532 A N 1.067 123.871 122.820 -0.027 0.000 1.898 532 A HA -0.033 4.287 4.320 -0.001 0.000 0.216 532 A C 2.343 179.941 177.584 0.022 0.000 1.181 532 A CA 1.689 53.735 52.037 0.015 0.000 0.620 532 A CB -0.610 18.380 19.000 -0.016 0.000 0.819 532 A HN 0.349 nan 8.150 nan 0.000 0.442 533 A N -0.193 122.583 122.820 -0.073 0.000 1.940 533 A HA -0.070 4.250 4.320 -0.001 0.000 0.219 533 A C 2.133 179.736 177.584 0.031 0.000 1.176 533 A CA 1.505 53.498 52.037 -0.073 0.000 0.631 533 A CB -0.602 18.253 19.000 -0.242 0.000 0.814 533 A HN 0.476 nan 8.150 nan 0.000 0.446 534 L N -1.088 120.050 121.223 -0.142 0.000 2.141 534 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 534 L C 2.291 179.052 176.870 -0.183 0.000 1.094 534 L CA 1.428 56.132 54.840 -0.228 0.000 0.763 534 L CB -0.273 41.551 42.059 -0.391 0.000 0.908 534 L HN 0.364 nan 8.230 nan 0.000 0.437 535 K N -1.218 119.061 120.400 -0.202 0.000 2.400 535 K HA 0.033 4.352 4.320 -0.001 0.000 0.194 535 K C -0.152 176.099 176.600 -0.582 0.000 1.033 535 K CA 0.427 56.497 56.287 -0.361 0.000 1.021 535 K CB 0.255 32.516 32.500 -0.397 0.000 0.808 535 K HN 0.375 nan 8.250 nan 0.000 0.505 536 H N -0.263 118.766 119.070 -0.069 0.000 2.511 536 H HA 0.108 4.664 4.556 -0.001 0.000 0.228 536 H C -2.124 173.171 175.328 -0.056 0.000 1.424 536 H CA -1.395 54.606 56.048 -0.079 0.000 1.321 536 H CB 0.889 30.588 29.762 -0.106 0.000 1.720 536 H HN 0.017 nan 8.280 nan 0.000 0.512 537 P HA -0.002 nan 4.420 nan 0.000 0.236 537 P C -0.029 177.299 177.300 0.047 0.000 1.177 537 P CA 0.720 63.928 63.100 0.181 0.000 0.773 537 P CB 0.627 32.418 31.700 0.152 0.000 0.878 538 D N -0.231 120.086 120.400 -0.138 0.000 2.670 538 D HA 0.251 4.890 4.640 -0.001 0.000 0.255 538 D C 0.162 175.977 176.300 -0.809 0.000 1.286 538 D CA -0.132 53.574 54.000 -0.489 0.000 0.830 538 D CB -0.094 40.572 40.800 -0.222 0.000 1.065 538 D HN 0.225 nan 8.370 nan 0.000 0.486 539 I N 1.693 121.935 120.570 -0.546 0.000 2.291 539 I HA 0.178 4.347 4.170 -0.001 0.000 0.290 539 I C -0.590 175.306 176.117 -0.368 0.000 1.050 539 I CA -0.707 60.347 61.300 -0.409 0.000 1.245 539 I CB 0.197 38.069 38.000 -0.212 0.000 1.405 539 I HN -0.152 nan 8.210 nan 0.000 0.478 540 Y N 4.130 124.420 120.300 -0.017 0.000 2.387 540 Y HA 0.572 5.121 4.550 -0.001 0.000 0.330 540 Y C 0.678 176.518 175.900 -0.100 0.000 1.133 540 Y CA -1.439 56.646 58.100 -0.025 0.000 1.152 540 Y CB 1.180 39.658 38.460 0.030 0.000 1.215 540 Y HN 0.546 nan 8.280 nan 0.000 0.466 541 A N 3.165 125.966 122.820 -0.032 0.000 2.404 541 A HA 0.315 4.635 4.320 -0.001 0.000 0.273 541 A C 0.335 177.918 177.584 -0.002 0.000 1.144 541 A CA -0.639 51.252 52.037 -0.244 0.000 0.806 541 A CB -0.279 18.226 19.000 -0.825 0.000 1.080 541 A HN 0.674 nan 8.150 nan 0.000 0.509 542 E N 3.090 123.299 120.200 0.015 0.000 2.283 542 E HA 0.163 4.512 4.350 -0.001 0.000 0.267 542 E C -0.875 175.779 176.600 0.090 0.000 1.045 542 E CA -0.664 55.792 56.400 0.095 0.000 0.884 542 E CB 0.594 30.357 29.700 0.104 0.000 1.106 542 E HN 0.545 nan 8.360 nan 0.000 0.408 543 Y N 1.728 122.049 120.300 0.035 0.000 2.511 543 Y HA 0.175 4.725 4.550 -0.001 0.000 0.332 543 Y C -0.194 175.669 175.900 -0.062 0.000 1.177 543 Y CA 0.667 58.768 58.100 0.001 0.000 1.422 543 Y CB 0.577 39.047 38.460 0.015 0.000 1.271 543 Y HN 0.575 nan 8.280 nan 0.000 0.550 544 T N 6.135 120.131 114.554 -0.930 0.000 2.893 544 T HA 0.556 4.906 4.350 -0.001 0.000 0.293 544 T C -3.052 170.915 174.700 -1.222 0.000 1.027 544 T CA -2.319 59.206 62.100 -0.960 0.000 0.988 544 T CB 1.885 70.396 68.868 -0.594 0.000 1.043 544 T HN 0.458 nan 8.240 nan 0.000 0.461 545 P HA 0.243 nan 4.420 nan 0.000 0.271 545 P C 0.961 178.119 177.300 -0.236 0.000 1.218 545 P CA -0.168 62.682 63.100 -0.417 0.000 0.780 545 P CB 0.570 32.143 31.700 -0.212 0.000 0.901 546 G N 0.582 109.337 108.800 -0.075 0.000 2.848 546 G HA2 0.002 3.961 3.960 -0.001 0.000 0.208 546 G HA3 0.002 3.961 3.960 -0.001 0.000 0.208 546 G C 0.427 175.330 174.900 0.004 0.000 1.152 546 G CA 0.248 45.337 45.100 -0.017 0.000 0.789 546 G HN 0.650 nan 8.290 nan 0.000 0.531 547 S N -1.331 114.393 115.700 0.041 0.000 2.647 547 S HA 0.503 4.972 4.470 -0.001 0.000 0.300 547 S C 0.830 175.489 174.600 0.098 0.000 1.129 547 S CA 0.605 58.847 58.200 0.070 0.000 1.029 547 S CB 1.120 64.360 63.200 0.067 0.000 1.007 547 S HN 1.322 nan 8.310 nan 0.000 0.484 548 G N 3.043 111.915 108.800 0.121 0.000 2.184 548 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.264 548 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.264 548 G C 0.661 175.619 174.900 0.096 0.000 0.975 548 G CA 0.292 45.458 45.100 0.109 0.000 0.642 548 G HN 1.369 nan 8.290 nan 0.000 0.536 549 G N -0.374 108.474 108.800 0.081 0.000 2.795 549 G HA2 0.728 4.688 3.960 -0.001 0.000 0.267 549 G HA3 0.728 4.688 3.960 -0.001 0.000 0.267 549 G C -2.607 172.270 174.900 -0.038 0.000 1.362 549 G CA -1.084 44.032 45.100 0.026 0.000 1.048 549 G HN 0.146 nan 8.290 nan 0.000 0.547 550 P HA 0.111 nan 4.420 nan 0.000 0.261 550 P C 0.610 177.718 177.300 -0.320 0.000 1.173 550 P CA 0.373 63.481 63.100 0.012 0.000 0.760 550 P CB 0.631 32.233 31.700 -0.162 0.000 0.783 551 G N 2.677 111.234 108.800 -0.404 0.000 3.471 551 G HA2 0.436 4.396 3.960 -0.001 0.000 0.254 551 G HA3 0.436 4.396 3.960 -0.001 0.000 0.254 551 G C 0.339 174.017 174.900 -2.036 0.000 1.199 551 G CA 0.056 44.363 45.100 -1.321 0.000 1.683 551 G HN 0.729 nan 8.290 nan 0.000 0.625 552 G N -1.315 106.336 108.800 -1.915 0.000 2.703 552 G HA2 0.571 4.531 3.960 -0.001 0.000 0.294 552 G HA3 0.571 4.531 3.960 -0.001 0.000 0.294 552 G C -0.004 174.696 174.900 -0.334 0.000 1.451 552 G CA -0.104 44.148 45.100 -1.412 0.000 0.869 552 G HN 0.518 nan 8.290 nan 0.000 0.516 553 G N 0.726 109.626 108.800 0.168 0.000 2.414 553 G HA2 0.430 4.390 3.960 -0.001 0.000 0.236 553 G HA3 0.430 4.390 3.960 -0.001 0.000 0.236 553 G C -0.655 174.227 174.900 -0.029 0.000 1.293 553 G CA -0.423 44.651 45.100 -0.043 0.000 0.869 553 G HN 0.397 nan 8.290 nan 0.000 0.556 554 P HA -0.120 nan 4.420 nan 0.000 0.220 554 P C 0.149 177.551 177.300 0.170 0.000 1.152 554 P CA 0.419 63.498 63.100 -0.036 0.000 0.812 554 P CB 0.038 31.625 31.700 -0.187 0.000 0.792 555 Y N 0.864 121.125 120.300 -0.066 0.000 2.973 555 Y HA -0.235 4.315 4.550 -0.001 0.000 0.210 555 Y C 0.786 176.849 175.900 0.271 0.000 1.191 555 Y CA -0.003 57.968 58.100 -0.215 0.000 0.991 555 Y CB -2.544 35.651 38.460 -0.441 0.000 1.231 555 Y HN 0.285 nan 8.280 nan 0.000 0.504 556 N N 1.272 120.196 118.700 0.374 0.000 2.525 556 N HA 0.410 5.149 4.740 -0.001 0.000 0.271 556 N C -0.622 175.138 175.510 0.417 0.000 1.194 556 N CA -0.193 53.057 53.050 0.333 0.000 0.964 556 N CB 2.188 40.824 38.487 0.249 0.000 1.126 556 N HN 0.385 nan 8.380 nan 0.000 0.452 557 D N -0.513 120.056 120.400 0.281 0.000 2.871 557 D HA 0.087 4.726 4.640 -0.001 0.000 0.209 557 D C -1.346 174.962 176.300 0.013 0.000 1.292 557 D CA -0.540 53.578 54.000 0.197 0.000 0.869 557 D CB 1.057 42.035 40.800 0.296 0.000 1.663 557 D HN 0.598 nan 8.370 nan 0.000 0.557 558 D N 2.157 122.460 120.400 -0.162 0.000 2.463 558 D HA 0.122 4.761 4.640 -0.001 0.000 0.224 558 D C -0.557 175.431 176.300 -0.521 0.000 1.174 558 D CA -0.240 53.336 54.000 -0.706 0.000 0.829 558 D CB -0.374 40.124 40.800 -0.504 0.000 0.993 558 D HN 0.248 nan 8.370 nan 0.000 0.497 559 Y N 0.623 120.791 120.300 -0.220 0.000 2.386 559 Y HA 0.404 4.953 4.550 -0.001 0.000 0.334 559 Y C -0.242 175.746 175.900 0.146 0.000 1.002 559 Y CA -1.197 56.901 58.100 -0.003 0.000 1.068 559 Y CB 2.080 40.551 38.460 0.018 0.000 1.203 559 Y HN -0.129 nan 8.280 nan 0.000 0.443 560 V N 2.185 121.862 119.914 -0.394 0.000 3.252 560 V HA 0.400 4.520 4.120 -0.001 0.000 0.320 560 V C 1.370 177.348 176.094 -0.194 0.000 1.459 560 V CA 0.681 62.856 62.300 -0.208 0.000 1.095 560 V CB 0.415 32.246 31.823 0.013 0.000 0.997 560 V HN 0.932 nan 8.190 nan 0.000 0.469 561 G N 2.209 110.549 108.800 -0.766 0.000 2.450 561 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.220 561 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.220 561 G C 1.172 176.256 174.900 0.306 0.000 1.130 561 G CA 1.379 46.452 45.100 -0.045 0.000 0.760 561 G HN 0.711 nan 8.290 nan 0.000 0.557 562 D N 1.002 121.427 120.400 0.043 0.000 2.123 562 D HA -0.056 4.583 4.640 -0.001 0.000 0.200 562 D C 1.927 178.391 176.300 0.273 0.000 0.976 562 D CA 1.077 55.108 54.000 0.051 0.000 0.831 562 D CB -0.486 40.247 40.800 -0.111 0.000 0.974 562 D HN 0.305 nan 8.370 nan 0.000 0.469 563 E N 0.140 120.460 120.200 0.200 0.000 2.110 563 E HA -0.042 4.308 4.350 -0.001 0.000 0.193 563 E C 1.951 178.681 176.600 0.217 0.000 0.988 563 E CA 0.638 57.188 56.400 0.250 0.000 0.804 563 E CB -0.511 29.241 29.700 0.087 0.000 0.745 563 E HN 0.321 nan 8.360 nan 0.000 0.458 564 F N -0.673 119.423 119.950 0.242 0.000 2.095 564 F HA -0.248 4.278 4.527 -0.001 0.000 0.298 564 F C 2.248 178.324 175.800 0.459 0.000 1.104 564 F CA 1.400 59.559 58.000 0.265 0.000 1.232 564 F CB -0.299 38.826 39.000 0.209 0.000 0.987 564 F HN 0.116 nan 8.300 nan 0.000 0.475 565 Y N -0.474 120.206 120.300 0.633 0.000 2.145 565 Y HA -0.299 4.250 4.550 -0.001 0.000 0.286 565 Y C 2.241 178.406 175.900 0.442 0.000 1.145 565 Y CA 1.644 60.088 58.100 0.573 0.000 1.148 565 Y CB -0.938 37.838 38.460 0.527 0.000 0.981 565 Y HN 0.236 nan 8.280 nan 0.000 0.507 566 W N 1.410 122.745 121.300 0.058 0.000 2.333 566 W HA -0.232 4.428 4.660 -0.001 0.000 0.316 566 W C 2.448 178.904 176.519 -0.105 0.000 1.215 566 W CA 2.764 60.025 57.345 -0.140 0.000 1.278 566 W CB -1.171 28.232 29.460 -0.095 0.000 1.154 566 W HN 0.174 nan 8.180 nan 0.000 0.486 567 A N 0.856 123.600 122.820 -0.127 0.000 1.908 567 A HA -0.052 4.268 4.320 -0.001 0.000 0.218 567 A C 2.226 179.623 177.584 -0.312 0.000 1.181 567 A CA 3.098 54.968 52.037 -0.278 0.000 0.627 567 A CB -1.542 17.443 19.000 -0.025 0.000 0.818 567 A HN 0.478 nan 8.150 nan 0.000 0.445 568 A N -1.064 121.643 122.820 -0.188 0.000 1.933 568 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 568 A C 2.319 179.793 177.584 -0.184 0.000 1.175 568 A CA 1.718 53.560 52.037 -0.324 0.000 0.628 568 A CB -1.291 17.747 19.000 0.064 0.000 0.814 568 A HN 0.612 nan 8.150 nan 0.000 0.444 569 C N -0.603 118.613 119.300 -0.140 0.000 2.432 569 C HA -0.075 4.385 4.460 -0.001 0.000 0.277 569 C C 2.749 177.731 174.990 -0.012 0.000 1.249 569 C CA 1.153 60.140 59.018 -0.053 0.000 1.725 569 C CB -1.012 26.649 27.740 -0.132 0.000 2.028 569 C HN 0.609 nan 8.230 nan 0.000 0.477 570 E N 0.759 120.912 120.200 -0.079 0.000 2.072 570 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 570 E C 2.112 178.589 176.600 -0.205 0.000 0.985 570 E CA 0.997 57.353 56.400 -0.074 0.000 0.801 570 E CB -0.572 29.070 29.700 -0.097 0.000 0.750 570 E HN 0.637 nan 8.360 nan 0.000 0.452 571 L N 0.057 121.023 121.223 -0.429 0.000 2.083 571 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 571 L C 2.579 179.166 176.870 -0.470 0.000 1.083 571 L CA 1.119 55.523 54.840 -0.725 0.000 0.752 571 L CB -0.432 40.636 42.059 -1.651 0.000 0.899 571 L HN 0.127 nan 8.230 nan 0.000 0.433 572 Y N -0.172 119.931 120.300 -0.328 0.000 2.200 572 Y HA -0.171 4.379 4.550 -0.001 0.000 0.290 572 Y C 2.283 178.170 175.900 -0.021 0.000 1.137 572 Y CA 1.317 59.395 58.100 -0.037 0.000 1.163 572 Y CB -0.273 38.210 38.460 0.040 0.000 0.988 572 Y HN -0.148 nan 8.280 nan 0.000 0.518 573 V N -0.639 119.165 119.914 -0.184 0.000 2.427 573 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 573 V C 2.234 178.215 176.094 -0.189 0.000 1.051 573 V CA 2.325 64.491 62.300 -0.223 0.000 1.048 573 V CB -0.922 30.873 31.823 -0.046 0.000 0.666 573 V HN 0.437 nan 8.190 nan 0.000 0.456 574 T N -0.057 114.408 114.554 -0.149 0.000 2.770 574 T HA -0.133 4.216 4.350 -0.001 0.000 0.263 574 T C 1.935 176.571 174.700 -0.108 0.000 1.039 574 T CA 2.112 64.144 62.100 -0.113 0.000 1.142 574 T CB -0.209 68.591 68.868 -0.114 0.000 0.868 574 T HN 0.745 nan 8.240 nan 0.000 0.435 575 T N -1.914 112.576 114.554 -0.107 0.000 3.023 575 T HA 0.398 4.747 4.350 -0.001 0.000 0.249 575 T C 1.833 176.510 174.700 -0.037 0.000 1.050 575 T CA 0.937 63.019 62.100 -0.030 0.000 1.088 575 T CB -0.014 68.900 68.868 0.076 0.000 0.946 575 T HN 0.490 nan 8.240 nan 0.000 0.480 576 G N 1.944 110.663 108.800 -0.134 0.000 2.143 576 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.248 576 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.248 576 G C -0.057 174.929 174.900 0.144 0.000 0.991 576 G CA 0.213 45.198 45.100 -0.192 0.000 0.689 576 G HN 0.672 nan 8.290 nan 0.000 0.522 577 K N 0.073 120.625 120.400 0.254 0.000 2.218 577 K HA 0.251 4.570 4.320 -0.001 0.000 0.276 577 K C 0.755 177.457 176.600 0.171 0.000 1.022 577 K CA -0.476 55.914 56.287 0.172 0.000 0.946 577 K CB 0.697 33.235 32.500 0.062 0.000 1.000 577 K HN -0.023 nan 8.250 nan 0.000 0.468 578 D N 2.440 122.874 120.400 0.057 0.000 2.123 578 D HA -0.221 4.419 4.640 -0.001 0.000 0.196 578 D C 1.715 177.974 176.300 -0.068 0.000 0.992 578 D CA 1.589 55.593 54.000 0.007 0.000 0.833 578 D CB 0.184 40.978 40.800 -0.010 0.000 0.954 578 D HN 0.709 nan 8.370 nan 0.000 0.455 579 E N -0.193 119.901 120.200 -0.178 0.000 2.118 579 E HA -0.242 4.108 4.350 -0.001 0.000 0.195 579 E C 1.895 178.390 176.600 -0.175 0.000 0.992 579 E CA 1.107 57.378 56.400 -0.216 0.000 0.804 579 E CB -0.749 28.745 29.700 -0.343 0.000 0.741 579 E HN 0.469 nan 8.360 nan 0.000 0.458 580 Y N 1.253 121.532 120.300 -0.034 0.000 2.184 580 Y HA -0.036 4.513 4.550 -0.001 0.000 0.290 580 Y C 2.671 178.515 175.900 -0.093 0.000 1.129 580 Y CA 0.987 59.021 58.100 -0.111 0.000 1.144 580 Y CB -0.121 38.249 38.460 -0.149 0.000 0.995 580 Y HN -0.067 nan 8.280 nan 0.000 0.513 581 K N 0.667 121.001 120.400 -0.110 0.000 2.044 581 K HA -0.229 4.091 4.320 -0.001 0.000 0.210 581 K C 1.551 178.016 176.600 -0.224 0.000 1.049 581 K CA 1.893 57.886 56.287 -0.490 0.000 0.927 581 K CB -0.166 31.964 32.500 -0.617 0.000 0.713 581 K HN 0.287 nan 8.250 nan 0.000 0.443 582 N N -0.023 118.616 118.700 -0.101 0.000 2.188 582 N HA -0.175 4.564 4.740 -0.001 0.000 0.184 582 N C 1.628 177.127 175.510 -0.019 0.000 1.018 582 N CA 1.041 54.048 53.050 -0.072 0.000 0.858 582 N CB -0.527 37.938 38.487 -0.036 0.000 0.989 582 N HN 0.293 nan 8.380 nan 0.000 0.426 583 Y N 1.964 122.274 120.300 0.016 0.000 2.114 583 Y HA -0.197 4.353 4.550 -0.001 0.000 0.284 583 Y C 2.209 178.184 175.900 0.125 0.000 1.143 583 Y CA 1.528 59.702 58.100 0.125 0.000 1.135 583 Y CB -0.283 38.372 38.460 0.326 0.000 0.980 583 Y HN 0.048 nan 8.280 nan 0.000 0.499 584 L N -1.454 119.954 121.223 0.309 0.000 2.093 584 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 584 L C 2.068 178.942 176.870 0.007 0.000 1.085 584 L CA 1.780 56.834 54.840 0.356 0.000 0.755 584 L CB -1.042 41.199 42.059 0.302 0.000 0.904 584 L HN 0.166 nan 8.230 nan 0.000 0.435 585 M N 0.048 119.420 119.600 -0.379 0.000 2.296 585 M HA -0.067 4.412 4.480 -0.001 0.000 0.265 585 M C 1.232 177.207 176.300 -0.542 0.000 1.064 585 M CA 1.173 55.903 55.300 -0.950 0.000 1.109 585 M CB -0.403 31.787 32.600 -0.684 0.000 1.396 585 M HN 0.434 nan 8.290 nan 0.000 0.430 586 N N -0.103 118.417 118.700 -0.301 0.000 2.280 586 N HA 0.043 4.783 4.740 -0.001 0.000 0.192 586 N C 0.297 175.683 175.510 -0.206 0.000 1.109 586 N CA 0.058 52.970 53.050 -0.230 0.000 0.855 586 N CB 0.486 38.840 38.487 -0.223 0.000 0.974 586 N HN 0.112 nan 8.380 nan 0.000 0.482 587 S N 2.067 117.679 115.700 -0.147 0.000 2.576 587 S HA 0.146 4.615 4.470 -0.001 0.000 0.276 587 S C -1.224 173.311 174.600 -0.109 0.000 1.339 587 S CA -1.208 56.944 58.200 -0.080 0.000 1.039 587 S CB 1.101 64.401 63.200 0.166 0.000 0.902 587 S HN 0.069 nan 8.310 nan 0.000 0.516 588 P HA -0.071 nan 4.420 nan 0.000 0.225 588 P C 0.365 177.451 177.300 -0.355 0.000 1.148 588 P CA 1.131 64.063 63.100 -0.280 0.000 0.779 588 P CB -0.117 31.372 31.700 -0.351 0.000 0.780 589 H N -2.576 116.389 119.070 -0.175 0.000 2.529 589 H HA 0.070 4.625 4.556 -0.001 0.000 0.277 589 H C 0.238 175.194 175.328 -0.620 0.000 1.004 589 H CA -0.646 55.163 56.048 -0.399 0.000 1.167 589 H CB -0.686 28.753 29.762 -0.537 0.000 1.445 589 H HN 0.136 nan 8.280 nan 0.000 0.554 590 Y N 2.672 122.750 120.300 -0.369 0.000 2.745 590 Y HA -0.032 4.518 4.550 -0.001 0.000 0.335 590 Y C 1.068 176.957 175.900 -0.018 0.000 1.212 590 Y CA -0.200 57.827 58.100 -0.121 0.000 1.535 590 Y CB -0.435 38.031 38.460 0.009 0.000 1.220 590 Y HN 0.242 nan 8.280 nan 0.000 0.531 591 L N 2.800 123.932 121.223 -0.153 0.000 4.950 591 L HA -0.289 4.050 4.340 -0.001 0.000 0.413 591 L C 0.483 177.309 176.870 -0.074 0.000 1.020 591 L CA 0.940 55.650 54.840 -0.217 0.000 1.239 591 L CB -1.424 40.338 42.059 -0.495 0.000 2.004 591 L HN 0.645 nan 8.230 nan 0.000 0.658 592 E N 1.183 121.364 120.200 -0.030 0.000 2.338 592 E HA 0.360 4.709 4.350 -0.001 0.000 0.272 592 E C -0.114 176.518 176.600 0.053 0.000 1.029 592 E CA -0.396 56.004 56.400 -0.001 0.000 0.872 592 E CB 0.899 30.607 29.700 0.015 0.000 1.015 592 E HN 0.173 nan 8.360 nan 0.000 0.417 593 M N 6.694 126.317 119.600 0.038 0.000 2.035 593 M HA 0.373 4.852 4.480 -0.001 0.000 0.286 593 M C -2.671 173.660 176.300 0.052 0.000 0.907 593 M CA -2.430 52.914 55.300 0.073 0.000 0.935 593 M CB 1.617 34.252 32.600 0.057 0.000 1.557 593 M HN 0.173 nan 8.290 nan 0.000 0.426 594 P HA 0.290 nan 4.420 nan 0.000 0.268 594 P C -0.324 177.072 177.300 0.159 0.000 1.204 594 P CA -0.004 63.143 63.100 0.077 0.000 0.768 594 P CB 0.962 32.707 31.700 0.075 0.000 0.842 595 A N 3.497 126.383 122.820 0.110 0.000 2.044 595 A HA 0.065 4.385 4.320 -0.001 0.000 0.213 595 A C 0.806 178.649 177.584 0.430 0.000 1.169 595 A CA 1.087 53.309 52.037 0.309 0.000 0.724 595 A CB -0.193 18.842 19.000 0.057 0.000 0.840 595 A HN 0.514 nan 8.150 nan 0.000 0.463 596 K N -0.277 120.112 120.400 -0.019 0.000 2.501 596 K HA 0.588 4.907 4.320 -0.001 0.000 0.252 596 K C -1.187 175.294 176.600 -0.198 0.000 0.934 596 K CA -0.543 55.554 56.287 -0.316 0.000 0.797 596 K CB 1.242 33.159 32.500 -0.972 0.000 1.270 596 K HN 0.239 nan 8.250 nan 0.000 0.431 597 M N 1.959 121.469 119.600 -0.151 0.000 2.288 597 M HA 0.405 4.885 4.480 -0.001 0.000 0.334 597 M C 0.567 176.797 176.300 -0.117 0.000 1.150 597 M CA -0.290 54.959 55.300 -0.085 0.000 1.118 597 M CB 1.586 34.168 32.600 -0.030 0.000 1.501 597 M HN 0.830 nan 8.290 nan 0.000 0.462 604 N N 0.179 118.884 118.700 0.009 0.000 2.356 604 N HA 0.225 4.964 4.740 -0.001 0.000 0.252 604 N C 1.380 176.867 175.510 -0.039 0.000 1.241 604 N CA 0.665 53.701 53.050 -0.023 0.000 0.861 604 N CB 0.748 39.145 38.487 -0.151 0.000 1.075 604 N HN 0.805 nan 8.380 nan 0.000 0.461 605 G N 2.804 111.592 108.800 -0.020 0.000 2.574 605 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.220 605 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.220 605 G C 1.090 175.979 174.900 -0.018 0.000 1.173 605 G CA 1.516 46.601 45.100 -0.024 0.000 0.772 605 G HN 0.927 nan 8.290 nan 0.000 0.585 606 E N 0.022 120.223 120.200 0.001 0.000 2.265 606 E HA -0.119 4.230 4.350 -0.001 0.000 0.196 606 E C 1.148 177.754 176.600 0.011 0.000 0.996 606 E CA 1.332 57.747 56.400 0.025 0.000 0.832 606 E CB -0.184 29.561 29.700 0.076 0.000 0.756 606 E HN 0.318 nan 8.360 nan 0.000 0.491 607 D N 0.726 121.113 120.400 -0.022 0.000 2.349 607 D HA -0.007 4.633 4.640 -0.001 0.000 0.215 607 D C 0.124 176.396 176.300 -0.047 0.000 1.016 607 D CA 0.085 54.078 54.000 -0.010 0.000 0.870 607 D CB -0.248 40.537 40.800 -0.025 0.000 0.917 607 D HN 0.104 nan 8.370 nan 0.000 0.524 608 N N 0.758 119.423 118.700 -0.058 0.000 2.440 608 N HA 0.069 4.808 4.740 -0.001 0.000 0.265 608 N C 1.223 176.672 175.510 -0.103 0.000 1.239 608 N CA 1.100 54.101 53.050 -0.081 0.000 0.909 608 N CB 0.775 39.218 38.487 -0.072 0.000 1.066 608 N HN 0.242 nan 8.380 nan 0.000 0.474 609 G N 2.215 110.925 108.800 -0.149 0.000 2.159 609 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.256 609 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.256 609 G C -0.190 174.561 174.900 -0.250 0.000 0.977 609 G CA -0.125 44.854 45.100 -0.201 0.000 0.652 609 G HN 0.481 nan 8.290 nan 0.000 0.531 610 L N 0.094 121.184 121.223 -0.221 0.000 2.292 610 L HA 0.634 4.973 4.340 -0.001 0.000 0.284 610 L C 0.574 177.301 176.870 -0.239 0.000 1.065 610 L CA -1.002 53.689 54.840 -0.247 0.000 0.806 610 L CB 0.486 42.392 42.059 -0.255 0.000 1.175 610 L HN 0.226 nan 8.230 nan 0.000 0.431 611 W N 3.773 124.945 121.300 -0.214 0.000 2.216 611 W HA 0.494 5.154 4.660 -0.001 0.000 0.326 611 W C 0.895 177.329 176.519 -0.142 0.000 1.319 611 W CA 1.183 58.446 57.345 -0.136 0.000 1.213 611 W CB 0.845 30.200 29.460 -0.175 0.000 1.171 611 W HN 0.746 nan 8.180 nan 0.000 0.557 612 G N 0.341 109.246 108.800 0.175 0.000 2.361 612 G HA2 0.035 3.994 3.960 -0.001 0.000 0.331 612 G HA3 0.035 3.994 3.960 -0.001 0.000 0.331 612 G C -0.150 174.788 174.900 0.064 0.000 1.324 612 G CA -0.475 44.607 45.100 -0.030 0.000 0.984 612 G HN 0.893 nan 8.290 nan 0.000 0.586 613 C N -1.666 117.532 119.300 -0.169 0.000 2.628 613 C HA 0.829 5.289 4.460 -0.001 0.000 0.393 613 C C 0.537 175.444 174.990 -0.139 0.000 1.328 613 C CA 0.629 59.589 59.018 -0.095 0.000 2.079 613 C CB -1.344 26.309 27.740 -0.144 0.000 2.663 613 C HN 1.536 nan 8.230 nan 0.000 0.557 614 F N 1.023 120.930 119.950 -0.073 0.000 2.713 614 F HA 0.725 5.251 4.527 -0.001 0.000 0.311 614 F C -0.487 175.171 175.800 -0.236 0.000 1.141 614 F CA -0.451 57.448 58.000 -0.168 0.000 0.939 614 F CB 0.546 39.395 39.000 -0.250 0.000 1.325 614 F HN 0.195 nan 8.300 nan 0.000 0.453 615 T N -2.958 111.588 114.554 -0.013 0.000 2.716 615 T HA 0.292 4.642 4.350 -0.001 0.000 0.286 615 T C 0.442 175.086 174.700 -0.093 0.000 1.052 615 T CA -0.330 61.681 62.100 -0.149 0.000 1.024 615 T CB 1.208 69.835 68.868 -0.403 0.000 1.349 615 T HN 1.155 nan 8.240 nan 0.000 0.525 616 W N 0.131 121.462 121.300 0.052 0.000 2.331 616 W HA 0.116 4.775 4.660 -0.001 0.000 0.291 616 W C 1.198 177.763 176.519 0.077 0.000 1.214 616 W CA 1.245 58.627 57.345 0.061 0.000 1.228 616 W CB -1.339 28.177 29.460 0.093 0.000 1.135 616 W HN 0.816 nan 8.180 nan 0.000 0.537 617 G N 0.021 108.587 108.800 -0.391 0.000 3.062 617 G HA2 0.125 4.085 3.960 -0.001 0.000 0.228 617 G HA3 0.125 4.085 3.960 -0.001 0.000 0.228 617 G C -0.058 174.737 174.900 -0.176 0.000 1.094 617 G CA 0.058 44.995 45.100 -0.271 0.000 0.782 617 G HN 0.072 nan 8.290 nan 0.000 0.541 618 T N 1.263 115.692 114.554 -0.208 0.000 3.154 618 T HA 0.369 4.718 4.350 -0.001 0.000 0.381 618 T C 1.029 175.666 174.700 -0.104 0.000 1.368 618 T CA -0.053 61.987 62.100 -0.100 0.000 1.155 618 T CB 1.000 69.815 68.868 -0.089 0.000 1.120 618 T HN 0.176 nan 8.240 nan 0.000 0.570 619 T N -0.781 113.692 114.554 -0.136 0.000 3.054 619 T HA -0.013 4.336 4.350 -0.001 0.000 0.255 619 T C 1.927 176.425 174.700 -0.337 0.000 1.035 619 T CA -0.451 61.441 62.100 -0.348 0.000 0.941 619 T CB 0.149 68.784 68.868 -0.387 0.000 1.026 619 T HN 0.445 nan 8.240 nan 0.000 0.533 620 Q N 1.894 121.622 119.800 -0.121 0.000 2.135 620 Q HA -0.047 4.292 4.340 -0.001 0.000 0.204 620 Q C 2.230 178.284 176.000 0.091 0.000 0.981 620 Q CA 2.154 57.997 55.803 0.067 0.000 0.856 620 Q CB -1.433 27.216 28.738 -0.147 0.000 0.902 620 Q HN 0.548 nan 8.270 nan 0.000 0.425 621 G N 1.897 110.696 108.800 -0.002 0.000 2.448 621 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.219 621 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.219 621 G C 1.620 176.342 174.900 -0.297 0.000 1.127 621 G CA 0.786 45.925 45.100 0.065 0.000 0.766 621 G HN 0.292 nan 8.290 nan 0.000 0.552 622 L N 0.610 121.317 121.223 -0.861 0.000 2.046 622 L HA 0.017 4.357 4.340 -0.001 0.000 0.208 622 L C 3.144 179.673 176.870 -0.569 0.000 1.077 622 L CA 1.111 55.129 54.840 -1.371 0.000 0.747 622 L CB -0.836 39.720 42.059 -2.506 0.000 0.896 622 L HN 0.291 nan 8.230 nan 0.000 0.432 623 G N -0.630 108.000 108.800 -0.284 0.000 2.402 623 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 623 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 623 G C 1.607 176.542 174.900 0.059 0.000 1.162 623 G CA 1.214 46.318 45.100 0.007 0.000 0.777 623 G HN 0.256 nan 8.290 nan 0.000 0.539 624 T N 1.219 115.863 114.554 0.151 0.000 2.746 624 T HA -0.028 4.322 4.350 -0.001 0.000 0.267 624 T C 2.364 177.116 174.700 0.087 0.000 1.039 624 T CA 0.779 62.985 62.100 0.177 0.000 1.142 624 T CB -0.141 68.843 68.868 0.193 0.000 0.866 624 T HN 0.227 nan 8.240 nan 0.000 0.444 625 I N 0.938 121.537 120.570 0.047 0.000 2.163 625 I HA -0.222 3.948 4.170 -0.001 0.000 0.243 625 I C 2.734 178.889 176.117 0.063 0.000 1.085 625 I CA 1.246 62.537 61.300 -0.016 0.000 1.347 625 I CB -0.599 37.397 38.000 -0.006 0.000 1.044 625 I HN 0.241 nan 8.210 nan 0.000 0.408 626 T N 1.274 115.952 114.554 0.207 0.000 2.720 626 T HA -0.156 4.194 4.350 -0.001 0.000 0.268 626 T C 1.903 176.692 174.700 0.147 0.000 1.037 626 T CA 1.282 63.518 62.100 0.226 0.000 1.144 626 T CB -0.266 68.798 68.868 0.326 0.000 0.864 626 T HN 0.246 nan 8.240 nan 0.000 0.444 627 L N 0.437 121.739 121.223 0.132 0.000 2.093 627 L HA -0.041 4.299 4.340 -0.001 0.000 0.208 627 L C 2.911 179.821 176.870 0.067 0.000 1.085 627 L CA 1.164 56.078 54.840 0.123 0.000 0.755 627 L CB -0.559 41.587 42.059 0.145 0.000 0.904 627 L HN 0.240 nan 8.230 nan 0.000 0.435 628 A N -0.563 122.276 122.820 0.032 0.000 2.021 628 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 628 A C 2.074 179.691 177.584 0.054 0.000 1.163 628 A CA 0.952 52.951 52.037 -0.063 0.000 0.676 628 A CB -0.168 18.761 19.000 -0.119 0.000 0.818 628 A HN 0.323 nan 8.150 nan 0.000 0.453 629 L N -0.628 120.696 121.223 0.168 0.000 2.189 629 L HA 0.250 4.589 4.340 -0.001 0.000 0.199 629 L C 0.500 177.473 176.870 0.173 0.000 1.074 629 L CA 1.090 56.093 54.840 0.271 0.000 0.783 629 L CB -0.040 42.165 42.059 0.243 0.000 0.955 629 L HN 0.034 nan 8.230 nan 0.000 0.460 630 V N 1.645 121.632 119.914 0.121 0.000 2.465 630 V HA 0.196 4.315 4.120 -0.001 0.000 0.279 630 V C 0.265 176.393 176.094 0.056 0.000 1.045 630 V CA -0.829 61.520 62.300 0.080 0.000 0.938 630 V CB 0.889 32.752 31.823 0.068 0.000 0.986 630 V HN 0.324 nan 8.190 nan 0.000 0.467 631 E N 5.543 125.764 120.200 0.036 0.000 2.452 631 E HA 0.099 4.448 4.350 -0.001 0.000 0.261 631 E C -0.113 176.487 176.600 0.000 0.000 0.987 631 E CA 0.189 56.602 56.400 0.022 0.000 0.926 631 E CB 0.382 30.089 29.700 0.011 0.000 0.934 631 E HN 0.951 nan 8.360 nan 0.000 0.452 632 N N 1.676 120.386 118.700 0.016 0.000 3.116 632 N HA 0.146 4.886 4.740 -0.001 0.000 0.244 632 N C 0.018 175.574 175.510 0.075 0.000 1.485 632 N CA -0.629 52.414 53.050 -0.011 0.000 0.884 632 N CB 0.940 39.439 38.487 0.020 0.000 1.415 632 N HN 0.389 nan 8.380 nan 0.000 0.524 633 G N 0.046 108.923 108.800 0.128 0.000 3.181 633 G HA2 0.216 4.176 3.960 -0.001 0.000 0.219 633 G HA3 0.216 4.176 3.960 -0.001 0.000 0.219 633 G C 0.636 175.705 174.900 0.282 0.000 1.182 633 G CA -0.157 45.073 45.100 0.217 0.000 0.791 633 G HN 0.368 nan 8.290 nan 0.000 0.537 634 L N 0.530 121.941 121.223 0.314 0.000 2.476 634 L HA 0.224 4.563 4.340 -0.001 0.000 0.264 634 L C -1.775 175.180 176.870 0.142 0.000 1.224 634 L CA -1.710 53.260 54.840 0.217 0.000 0.821 634 L CB 0.324 42.532 42.059 0.247 0.000 1.101 634 L HN -0.066 nan 8.230 nan 0.000 0.488 635 P HA -0.030 nan 4.420 nan 0.000 0.265 635 P C 0.052 177.390 177.300 0.064 0.000 1.193 635 P CA 0.103 63.252 63.100 0.081 0.000 0.765 635 P CB 0.797 32.545 31.700 0.080 0.000 0.823 636 A N 3.276 126.122 122.820 0.044 0.000 1.917 636 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 636 A C 2.287 179.876 177.584 0.007 0.000 1.182 636 A CA 2.582 54.633 52.037 0.023 0.000 0.633 636 A CB -1.757 17.253 19.000 0.017 0.000 0.819 636 A HN 0.542 nan 8.150 nan 0.000 0.448 637 T N -1.026 113.535 114.554 0.012 0.000 2.833 637 T HA -0.137 4.212 4.350 -0.001 0.000 0.269 637 T C 1.501 176.194 174.700 -0.013 0.000 1.054 637 T CA 1.852 63.952 62.100 -0.001 0.000 1.135 637 T CB -0.557 68.316 68.868 0.008 0.000 0.869 637 T HN 0.482 nan 8.240 nan 0.000 0.466 638 D N 0.757 121.163 120.400 0.010 0.000 2.117 638 D HA 0.010 4.650 4.640 -0.001 0.000 0.198 638 D C 2.042 178.300 176.300 -0.071 0.000 0.982 638 D CA 0.892 54.880 54.000 -0.020 0.000 0.828 638 D CB -0.348 40.504 40.800 0.086 0.000 0.967 638 D HN 0.457 nan 8.370 nan 0.000 0.464 639 I N 0.403 120.953 120.570 -0.033 0.000 2.226 639 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 639 I C 2.379 178.416 176.117 -0.133 0.000 1.100 639 I CA 0.953 62.212 61.300 -0.068 0.000 1.374 639 I CB -0.160 37.819 38.000 -0.034 0.000 1.057 639 I HN -0.033 nan 8.210 nan 0.000 0.413 640 Q N 1.299 121.036 119.800 -0.106 0.000 2.124 640 Q HA -0.226 4.114 4.340 -0.001 0.000 0.202 640 Q C 2.129 178.056 176.000 -0.122 0.000 0.977 640 Q CA 1.690 57.421 55.803 -0.121 0.000 0.850 640 Q CB -0.173 28.523 28.738 -0.071 0.000 0.901 640 Q HN 0.105 nan 8.270 nan 0.000 0.429 641 K N -0.079 120.258 120.400 -0.104 0.000 2.032 641 K HA -0.065 4.254 4.320 -0.001 0.000 0.209 641 K C 1.861 178.385 176.600 -0.126 0.000 1.048 641 K CA 1.429 57.652 56.287 -0.106 0.000 0.927 641 K CB -0.735 31.696 32.500 -0.116 0.000 0.712 641 K HN 0.282 nan 8.250 nan 0.000 0.441 642 A N 1.286 124.015 122.820 -0.152 0.000 1.883 642 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 642 A C 2.231 179.731 177.584 -0.140 0.000 1.186 642 A CA 1.784 53.740 52.037 -0.134 0.000 0.624 642 A CB -0.446 18.483 19.000 -0.120 0.000 0.822 642 A HN 0.365 nan 8.150 nan 0.000 0.444 643 R N -0.546 119.806 120.500 -0.246 0.000 2.092 643 R HA -0.087 4.253 4.340 -0.001 0.000 0.231 643 R C 1.802 178.033 176.300 -0.114 0.000 1.119 643 R CA 1.322 57.219 56.100 -0.338 0.000 0.970 643 R CB -0.352 29.549 30.300 -0.665 0.000 0.864 643 R HN 0.492 nan 8.270 nan 0.000 0.440 644 N N 0.674 119.315 118.700 -0.098 0.000 2.188 644 N HA -0.103 4.636 4.740 -0.001 0.000 0.184 644 N C 1.293 176.775 175.510 -0.048 0.000 1.018 644 N CA 1.022 54.043 53.050 -0.049 0.000 0.858 644 N CB -0.336 38.123 38.487 -0.046 0.000 0.989 644 N HN 0.190 nan 8.380 nan 0.000 0.426 645 N N 1.000 119.663 118.700 -0.061 0.000 2.223 645 N HA -0.018 4.721 4.740 -0.001 0.000 0.185 645 N C 1.842 177.310 175.510 -0.069 0.000 1.016 645 N CA 0.407 53.419 53.050 -0.063 0.000 0.863 645 N CB -0.182 38.270 38.487 -0.059 0.000 0.983 645 N HN 0.311 nan 8.380 nan 0.000 0.429 646 I N 0.761 121.312 120.570 -0.032 0.000 2.202 646 I HA -0.215 3.955 4.170 -0.001 0.000 0.242 646 I C 2.197 178.249 176.117 -0.109 0.000 1.091 646 I CA 0.927 62.220 61.300 -0.011 0.000 1.368 646 I CB -0.187 37.902 38.000 0.148 0.000 1.058 646 I HN 0.061 nan 8.210 nan 0.000 0.410 647 A N 0.469 123.237 122.820 -0.086 0.000 1.902 647 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 647 A C 2.344 179.878 177.584 -0.083 0.000 1.181 647 A CA 1.956 53.909 52.037 -0.140 0.000 0.623 647 A CB -0.529 18.465 19.000 -0.009 0.000 0.818 647 A HN 0.351 nan 8.150 nan 0.000 0.443 648 K N -0.304 120.042 120.400 -0.089 0.000 2.057 648 K HA -0.093 4.226 4.320 -0.001 0.000 0.207 648 K C 2.145 178.607 176.600 -0.230 0.000 1.049 648 K CA 1.306 57.531 56.287 -0.103 0.000 0.931 648 K CB -0.344 32.107 32.500 -0.082 0.000 0.714 648 K HN 0.359 nan 8.250 nan 0.000 0.440 649 A N 1.008 123.609 122.820 -0.364 0.000 1.877 649 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 649 A C 2.357 179.176 177.584 -1.274 0.000 1.186 649 A CA 1.852 53.436 52.037 -0.755 0.000 0.620 649 A CB -0.950 17.617 19.000 -0.722 0.000 0.822 649 A HN 0.485 nan 8.150 nan 0.000 0.443 650 A N 0.129 122.451 122.820 -0.830 0.000 1.908 650 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 650 A C 1.770 179.299 177.584 -0.090 0.000 1.181 650 A CA 2.064 53.867 52.037 -0.389 0.000 0.627 650 A CB -0.713 18.227 19.000 -0.100 0.000 0.818 650 A HN 0.471 nan 8.150 nan 0.000 0.445 651 D N -0.572 119.814 120.400 -0.022 0.000 2.104 651 D HA -0.154 4.485 4.640 -0.001 0.000 0.194 651 D C 2.144 178.417 176.300 -0.046 0.000 0.994 651 D CA 1.264 55.281 54.000 0.028 0.000 0.830 651 D CB -0.373 40.444 40.800 0.027 0.000 0.959 651 D HN 0.442 nan 8.370 nan 0.000 0.452 652 R N -0.211 120.198 120.500 -0.153 0.000 2.091 652 R HA -0.149 4.191 4.340 -0.001 0.000 0.238 652 R C 2.302 178.612 176.300 0.017 0.000 1.136 652 R CA 1.248 57.306 56.100 -0.070 0.000 0.959 652 R CB -0.215 30.059 30.300 -0.043 0.000 0.856 652 R HN 0.326 nan 8.270 nan 0.000 0.437 653 W N 0.611 121.917 121.300 0.008 0.000 2.402 653 W HA -0.028 4.631 4.660 -0.001 0.000 0.286 653 W C 1.846 178.311 176.519 -0.091 0.000 1.221 653 W CA 0.398 57.697 57.345 -0.077 0.000 1.257 653 W CB -0.813 28.625 29.460 -0.036 0.000 1.120 653 W HN 0.121 nan 8.180 nan 0.000 0.551 654 L N 0.098 121.409 121.223 0.147 0.000 2.083 654 L HA -0.204 4.135 4.340 -0.001 0.000 0.209 654 L C 2.493 179.367 176.870 0.006 0.000 1.083 654 L CA 1.734 56.605 54.840 0.052 0.000 0.752 654 L CB -0.780 41.289 42.059 0.017 0.000 0.899 654 L HN -0.078 nan 8.230 nan 0.000 0.433 655 E N 0.768 120.969 120.200 0.002 0.000 2.072 655 E HA -0.195 4.155 4.350 -0.001 0.000 0.191 655 E C 1.884 178.456 176.600 -0.047 0.000 0.985 655 E CA 1.325 57.716 56.400 -0.015 0.000 0.801 655 E CB -0.055 29.638 29.700 -0.012 0.000 0.750 655 E HN 0.292 nan 8.360 nan 0.000 0.452 656 N N 0.467 119.104 118.700 -0.105 0.000 2.094 656 N HA -0.175 4.564 4.740 -0.001 0.000 0.191 656 N C 1.921 177.362 175.510 -0.114 0.000 1.023 656 N CA 1.578 54.506 53.050 -0.203 0.000 0.857 656 N CB -0.371 37.895 38.487 -0.370 0.000 1.013 656 N HN 0.302 nan 8.380 nan 0.000 0.426 657 I N 1.296 121.823 120.570 -0.071 0.000 2.208 657 I HA -0.219 3.950 4.170 -0.001 0.000 0.245 657 I C 1.790 177.914 176.117 0.011 0.000 1.097 657 I CA 1.146 62.414 61.300 -0.053 0.000 1.363 657 I CB -0.151 37.809 38.000 -0.066 0.000 1.051 657 I HN 0.079 nan 8.210 nan 0.000 0.413 658 E N 0.674 120.899 120.200 0.042 0.000 2.274 658 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 658 E C 1.564 178.323 176.600 0.265 0.000 0.996 658 E CA 0.861 57.379 56.400 0.196 0.000 0.840 658 E CB -0.175 29.603 29.700 0.130 0.000 0.772 658 E HN 0.598 nan 8.360 nan 0.000 0.491 659 E N 0.327 120.590 120.200 0.105 0.000 2.479 659 E HA 0.030 4.379 4.350 -0.001 0.000 0.193 659 E C 0.166 176.798 176.600 0.054 0.000 1.049 659 E CA 0.033 56.461 56.400 0.046 0.000 0.870 659 E CB 0.420 30.105 29.700 -0.025 0.000 0.944 659 E HN 0.058 nan 8.360 nan 0.000 0.492 660 Q N -0.384 119.497 119.800 0.136 0.000 2.322 660 Q HA 0.206 4.545 4.340 -0.001 0.000 0.265 660 Q C 0.859 177.024 176.000 0.275 0.000 0.985 660 Q CA -0.276 55.609 55.803 0.136 0.000 0.849 660 Q CB 1.880 30.658 28.738 0.068 0.000 1.274 660 Q HN 0.224 nan 8.270 nan 0.000 0.449 661 G N 1.524 110.420 108.800 0.161 0.000 2.469 661 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.219 661 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.219 661 G C 0.624 175.600 174.900 0.128 0.000 1.150 661 G CA 1.024 46.179 45.100 0.093 0.000 0.763 661 G HN 0.599 nan 8.290 nan 0.000 0.561 662 Y N -0.074 120.369 120.300 0.238 0.000 2.493 662 Y HA 0.352 4.902 4.550 -0.001 0.000 0.275 662 Y C 0.888 176.870 175.900 0.137 0.000 1.183 662 Y CA -0.573 57.657 58.100 0.218 0.000 1.258 662 Y CB 0.252 38.876 38.460 0.273 0.000 1.108 662 Y HN 0.063 nan 8.280 nan 0.000 0.521 663 R N 0.874 121.476 120.500 0.169 0.000 3.264 663 R HA -0.193 4.146 4.340 -0.001 0.000 0.251 663 R C -0.929 175.356 176.300 -0.025 0.000 0.971 663 R CA 0.603 56.708 56.100 0.008 0.000 0.658 663 R CB -2.479 27.724 30.300 -0.162 0.000 1.095 663 R HN 0.423 nan 8.270 nan 0.000 0.443 664 L N -3.028 118.134 121.223 -0.102 0.000 2.331 664 L HA 0.674 5.013 4.340 -0.001 0.000 0.275 664 L C -1.697 175.016 176.870 -0.262 0.000 1.022 664 L CA -2.234 52.440 54.840 -0.277 0.000 0.812 664 L CB 1.410 43.055 42.059 -0.690 0.000 1.257 664 L HN -0.227 nan 8.230 nan 0.000 0.435 665 P HA 0.070 nan 4.420 nan 0.000 0.245 665 P C 0.209 177.274 177.300 -0.391 0.000 1.212 665 P CA 0.472 63.416 63.100 -0.259 0.000 0.774 665 P CB -0.009 31.553 31.700 -0.229 0.000 0.999 666 I N -3.302 116.998 120.570 -0.451 0.000 2.793 666 I HA 0.535 4.705 4.170 -0.001 0.000 0.313 666 I C -0.045 175.743 176.117 -0.549 0.000 0.998 666 I CA -1.209 59.800 61.300 -0.485 0.000 1.140 666 I CB 1.580 39.298 38.000 -0.470 0.000 1.327 666 I HN -0.349 nan 8.210 nan 0.000 0.491 667 K N 1.598 121.629 120.400 -0.615 0.000 2.409 667 K HA 0.404 4.723 4.320 -0.001 0.000 0.252 667 K C -1.027 175.532 176.600 -0.068 0.000 1.036 667 K CA -0.966 55.099 56.287 -0.371 0.000 0.871 667 K CB 1.545 33.749 32.500 -0.494 0.000 1.374 667 K HN 0.596 nan 8.250 nan 0.000 0.459 668 Q N 0.557 120.414 119.800 0.095 0.000 2.386 668 Q HA 0.088 4.427 4.340 -0.001 0.000 0.282 668 Q C -0.258 175.849 176.000 0.178 0.000 1.050 668 Q CA -0.128 55.780 55.803 0.175 0.000 0.918 668 Q CB 0.590 29.432 28.738 0.173 0.000 1.266 668 Q HN 0.588 nan 8.270 nan 0.000 0.423 669 A N 2.817 125.691 122.820 0.090 0.000 2.540 669 A HA -0.052 4.268 4.320 -0.001 0.000 0.239 669 A C -0.064 177.541 177.584 0.035 0.000 1.061 669 A CA 0.180 52.232 52.037 0.024 0.000 0.758 669 A CB 0.080 19.058 19.000 -0.037 0.000 0.991 669 A HN 0.752 nan 8.150 nan 0.000 0.502 670 E N 1.543 121.733 120.200 -0.016 0.000 2.364 670 E HA 0.147 4.497 4.350 -0.001 0.000 0.270 670 E C -0.687 175.887 176.600 -0.044 0.000 1.398 670 E CA -0.227 56.160 56.400 -0.021 0.000 1.721 670 E CB 0.079 29.745 29.700 -0.056 0.000 1.525 670 E HN 0.797 nan 8.360 nan 0.000 0.446 671 D N -1.233 119.151 120.400 -0.026 0.000 2.801 671 D HA 0.160 4.800 4.640 -0.001 0.000 0.277 671 D C -0.110 176.187 176.300 -0.005 0.000 1.125 671 D CA -0.836 53.149 54.000 -0.025 0.000 1.102 671 D CB 0.381 41.163 40.800 -0.031 0.000 1.400 671 D HN -0.140 nan 8.370 nan 0.000 0.601 672 E N -0.439 119.759 120.200 -0.002 0.000 2.338 672 E HA 0.251 4.600 4.350 -0.001 0.000 0.272 672 E C 0.134 176.745 176.600 0.018 0.000 1.029 672 E CA -0.042 56.363 56.400 0.009 0.000 0.872 672 E CB 0.596 30.300 29.700 0.007 0.000 1.015 672 E HN 0.501 nan 8.360 nan 0.000 0.417 673 R N 1.054 121.570 120.500 0.027 0.000 2.837 673 R HA -0.205 4.134 4.340 -0.001 0.000 0.312 673 R C 1.007 177.327 176.300 0.032 0.000 0.541 673 R CA 0.450 56.572 56.100 0.037 0.000 1.534 673 R CB -2.023 28.302 30.300 0.041 0.000 1.546 673 R HN 0.938 nan 8.270 nan 0.000 0.404 674 G N -0.151 108.665 108.800 0.027 0.000 2.574 674 G HA2 0.053 4.013 3.960 -0.001 0.000 0.282 674 G HA3 0.053 4.013 3.960 -0.001 0.000 0.282 674 G C 0.712 175.637 174.900 0.041 0.000 1.257 674 G CA 1.315 46.435 45.100 0.034 0.000 0.956 674 G HN 1.489 nan 8.290 nan 0.000 0.560 675 G N -2.161 106.677 108.800 0.062 0.000 2.569 675 G HA2 0.114 4.074 3.960 -0.001 0.000 0.259 675 G HA3 0.114 4.074 3.960 -0.001 0.000 0.259 675 G C -0.176 174.871 174.900 0.245 0.000 1.263 675 G CA 0.823 45.969 45.100 0.077 0.000 0.928 675 G HN 1.806 nan 8.290 nan 0.000 0.572 676 Y N 2.074 122.308 120.300 -0.111 0.000 2.341 676 Y HA 0.581 5.131 4.550 -0.001 0.000 0.337 676 Y C -1.420 174.408 175.900 -0.121 0.000 1.014 676 Y CA -2.496 55.523 58.100 -0.135 0.000 1.111 676 Y CB 1.703 40.082 38.460 -0.135 0.000 1.194 676 Y HN 0.435 nan 8.280 nan 0.000 0.462 677 P HA -0.031 nan 4.420 nan 0.000 0.279 677 P C 0.035 177.448 177.300 0.188 0.000 1.252 677 P CA -0.529 62.596 63.100 0.043 0.000 0.811 677 P CB 1.054 32.679 31.700 -0.124 0.000 1.035 678 W N 2.246 123.608 121.300 0.103 0.000 2.484 678 W HA 0.060 4.719 4.660 -0.001 0.000 0.337 678 W C 0.977 177.622 176.519 0.210 0.000 1.214 678 W CA 2.536 59.986 57.345 0.175 0.000 1.296 678 W CB -1.020 28.596 29.460 0.260 0.000 1.174 678 W HN 0.858 nan 8.180 nan 0.000 0.564 679 G N 3.506 112.529 108.800 0.372 0.000 2.221 679 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.265 679 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.265 679 G C 1.205 176.039 174.900 -0.109 0.000 1.041 679 G CA 1.043 46.021 45.100 -0.203 0.000 0.807 679 G HN 1.179 nan 8.290 nan 0.000 0.502 680 S N -0.139 115.546 115.700 -0.026 0.000 2.392 680 S HA -0.261 4.209 4.470 -0.001 0.000 0.232 680 S C 2.063 176.597 174.600 -0.111 0.000 1.041 680 S CA 1.748 59.919 58.200 -0.048 0.000 1.026 680 S CB -0.265 62.832 63.200 -0.171 0.000 0.845 680 S HN 0.511 nan 8.310 nan 0.000 0.465 681 N N 2.206 120.739 118.700 -0.278 0.000 2.223 681 N HA -0.075 4.664 4.740 -0.001 0.000 0.185 681 N C 2.059 177.424 175.510 -0.242 0.000 1.016 681 N CA 1.606 54.491 53.050 -0.275 0.000 0.863 681 N CB -0.754 37.495 38.487 -0.397 0.000 0.983 681 N HN 0.811 nan 8.380 nan 0.000 0.429 682 S N -0.301 115.174 115.700 -0.374 0.000 2.428 682 S HA -0.016 4.453 4.470 -0.001 0.000 0.230 682 S C 1.910 176.352 174.600 -0.265 0.000 1.014 682 S CA 0.377 58.387 58.200 -0.317 0.000 0.957 682 S CB -0.608 62.300 63.200 -0.485 0.000 0.784 682 S HN 0.172 nan 8.310 nan 0.000 0.499 683 F N 1.859 121.665 119.950 -0.240 0.000 2.134 683 F HA 0.131 4.657 4.527 -0.001 0.000 0.299 683 F C 2.238 177.815 175.800 -0.372 0.000 1.097 683 F CA 0.952 58.783 58.000 -0.282 0.000 1.264 683 F CB -0.555 38.283 39.000 -0.271 0.000 1.001 683 F HN 0.179 nan 8.300 nan 0.000 0.479 684 I N -0.352 120.124 120.570 -0.156 0.000 2.226 684 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 684 I C 2.312 178.307 176.117 -0.203 0.000 1.100 684 I CA 1.233 62.392 61.300 -0.235 0.000 1.374 684 I CB -0.516 37.378 38.000 -0.178 0.000 1.057 684 I HN 0.136 nan 8.210 nan 0.000 0.413 685 L N 0.315 121.462 121.223 -0.127 0.000 2.056 685 L HA -0.210 4.129 4.340 -0.001 0.000 0.207 685 L C 2.315 179.110 176.870 -0.125 0.000 1.078 685 L CA 1.269 56.078 54.840 -0.051 0.000 0.749 685 L CB -0.663 41.428 42.059 0.053 0.000 0.901 685 L HN 0.334 nan 8.230 nan 0.000 0.433 686 N N -0.216 118.356 118.700 -0.213 0.000 2.188 686 N HA -0.177 4.563 4.740 -0.001 0.000 0.184 686 N C 1.847 177.046 175.510 -0.520 0.000 1.018 686 N CA 1.045 53.894 53.050 -0.335 0.000 0.858 686 N CB -0.127 38.079 38.487 -0.468 0.000 0.989 686 N HN 0.451 nan 8.380 nan 0.000 0.426 687 Q N 0.235 119.663 119.800 -0.619 0.000 2.084 687 Q HA -0.011 4.328 4.340 -0.001 0.000 0.202 687 Q C 2.013 177.811 176.000 -0.338 0.000 0.978 687 Q CA 1.159 56.434 55.803 -0.881 0.000 0.844 687 Q CB -0.101 27.888 28.738 -1.248 0.000 0.898 687 Q HN 0.404 nan 8.270 nan 0.000 0.426 688 M N -0.080 119.373 119.600 -0.246 0.000 2.296 688 M HA -0.137 4.343 4.480 -0.001 0.000 0.265 688 M C 2.009 178.201 176.300 -0.180 0.000 1.064 688 M CA 1.125 56.341 55.300 -0.140 0.000 1.109 688 M CB -0.154 32.387 32.600 -0.099 0.000 1.396 688 M HN 0.233 nan 8.290 nan 0.000 0.430 689 I N -0.587 119.822 120.570 -0.268 0.000 2.179 689 I HA -0.263 3.906 4.170 -0.001 0.000 0.242 689 I C 2.257 178.229 176.117 -0.242 0.000 1.088 689 I CA 1.166 62.115 61.300 -0.585 0.000 1.357 689 I CB -0.392 37.186 38.000 -0.704 0.000 1.051 689 I HN 0.056 nan 8.210 nan 0.000 0.409 690 V N 0.485 120.419 119.914 0.033 0.000 2.515 690 V HA -0.267 3.853 4.120 -0.001 0.000 0.250 690 V C 2.415 178.606 176.094 0.162 0.000 1.058 690 V CA 1.613 64.065 62.300 0.253 0.000 1.064 690 V CB -0.442 31.620 31.823 0.399 0.000 0.675 690 V HN 0.384 nan 8.190 nan 0.000 0.461 691 M N 0.205 119.883 119.600 0.130 0.000 2.159 691 M HA -0.100 4.379 4.480 -0.001 0.000 0.263 691 M C 2.288 178.544 176.300 -0.073 0.000 1.063 691 M CA 2.095 57.426 55.300 0.052 0.000 1.110 691 M CB -0.868 31.789 32.600 0.096 0.000 1.374 691 M HN 0.479 nan 8.290 nan 0.000 0.411 692 G N -0.727 107.933 108.800 -0.234 0.000 2.418 692 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.217 692 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.217 692 G C 1.127 175.895 174.900 -0.220 0.000 1.158 692 G CA 0.738 45.539 45.100 -0.497 0.000 0.771 692 G HN 0.341 nan 8.290 nan 0.000 0.545 693 Y N 1.307 121.543 120.300 -0.106 0.000 2.224 693 Y HA 0.034 4.583 4.550 -0.001 0.000 0.289 693 Y C 3.124 178.763 175.900 -0.434 0.000 1.146 693 Y CA 0.758 58.674 58.100 -0.306 0.000 1.182 693 Y CB -0.445 37.945 38.460 -0.117 0.000 0.983 693 Y HN 0.267 nan 8.280 nan 0.000 0.524 694 A N -0.844 121.897 122.820 -0.132 0.000 1.902 694 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 694 A C 2.052 179.520 177.584 -0.193 0.000 1.181 694 A CA 1.618 53.439 52.037 -0.359 0.000 0.623 694 A CB -1.273 17.072 19.000 -1.091 0.000 0.818 694 A HN 0.533 nan 8.150 nan 0.000 0.443 695 Y N 1.433 121.651 120.300 -0.136 0.000 2.145 695 Y HA -0.206 4.343 4.550 -0.001 0.000 0.286 695 Y C 1.851 177.769 175.900 0.030 0.000 1.145 695 Y CA 1.716 59.875 58.100 0.098 0.000 1.148 695 Y CB -0.622 37.922 38.460 0.140 0.000 0.981 695 Y HN 0.381 nan 8.280 nan 0.000 0.507 696 D N -0.394 119.908 120.400 -0.164 0.000 2.116 696 D HA -0.239 4.400 4.640 -0.001 0.000 0.193 696 D C 2.186 178.388 176.300 -0.162 0.000 0.998 696 D CA 1.997 55.812 54.000 -0.309 0.000 0.836 696 D CB -0.797 39.727 40.800 -0.459 0.000 0.951 696 D HN 0.465 nan 8.370 nan 0.000 0.449 697 F N -0.022 119.958 119.950 0.049 0.000 2.456 697 F HA -0.023 4.503 4.527 -0.001 0.000 0.298 697 F C 2.375 178.199 175.800 0.040 0.000 1.104 697 F CA 0.987 59.013 58.000 0.043 0.000 1.435 697 F CB 0.110 39.138 39.000 0.048 0.000 1.078 697 F HN 0.021 nan 8.300 nan 0.000 0.546 698 T N -4.581 110.109 114.554 0.228 0.000 2.969 698 T HA 0.344 4.693 4.350 -0.001 0.000 0.250 698 T C 1.753 176.555 174.700 0.170 0.000 1.021 698 T CA 0.568 62.799 62.100 0.218 0.000 1.003 698 T CB 0.504 69.569 68.868 0.329 0.000 1.040 698 T HN 0.299 nan 8.240 nan 0.000 0.492 699 G N 1.841 110.707 108.800 0.109 0.000 2.166 699 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.260 699 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.260 699 G C -0.194 174.876 174.900 0.282 0.000 0.986 699 G CA 0.297 45.423 45.100 0.044 0.000 0.683 699 G HN 0.720 nan 8.290 nan 0.000 0.527 700 D N 0.797 121.438 120.400 0.402 0.000 2.339 700 D HA 0.450 5.089 4.640 -0.001 0.000 0.241 700 D C 1.823 178.286 176.300 0.271 0.000 1.183 700 D CA 0.383 54.554 54.000 0.284 0.000 0.859 700 D CB 0.760 41.653 40.800 0.156 0.000 1.067 700 D HN 0.271 nan 8.370 nan 0.000 0.484 701 S N 3.633 119.415 115.700 0.137 0.000 2.500 701 S HA -0.230 4.239 4.470 -0.001 0.000 0.239 701 S C 1.689 176.132 174.600 -0.262 0.000 0.989 701 S CA 0.834 58.938 58.200 -0.161 0.000 0.951 701 S CB -0.306 62.857 63.200 -0.061 0.000 0.759 701 S HN 0.673 nan 8.310 nan 0.000 0.523 702 K N 0.660 120.919 120.400 -0.235 0.000 2.160 702 K HA -0.222 4.098 4.320 -0.001 0.000 0.206 702 K C 1.565 177.974 176.600 -0.317 0.000 1.047 702 K CA 1.677 57.783 56.287 -0.301 0.000 0.930 702 K CB -0.764 31.510 32.500 -0.377 0.000 0.720 702 K HN 0.544 nan 8.250 nan 0.000 0.450 703 Y N 0.730 120.953 120.300 -0.129 0.000 2.263 703 Y HA -0.132 4.417 4.550 -0.001 0.000 0.292 703 Y C 2.389 178.114 175.900 -0.292 0.000 1.130 703 Y CA 0.395 58.421 58.100 -0.123 0.000 1.179 703 Y CB -0.153 38.313 38.460 0.010 0.000 0.998 703 Y HN 0.027 nan 8.280 nan 0.000 0.532 704 L N 0.491 121.449 121.223 -0.442 0.000 2.046 704 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 704 L C 1.596 178.019 176.870 -0.745 0.000 1.077 704 L CA 1.885 56.295 54.840 -0.717 0.000 0.747 704 L CB -0.714 40.708 42.059 -1.062 0.000 0.896 704 L HN 0.101 nan 8.230 nan 0.000 0.432 705 D N -0.505 119.638 120.400 -0.429 0.000 2.178 705 D HA -0.126 4.513 4.640 -0.001 0.000 0.201 705 D C 2.121 178.355 176.300 -0.111 0.000 0.980 705 D CA 1.300 55.200 54.000 -0.166 0.000 0.842 705 D CB -0.443 40.316 40.800 -0.068 0.000 0.948 705 D HN 0.516 nan 8.370 nan 0.000 0.472 706 G N 0.538 109.263 108.800 -0.125 0.000 2.422 706 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.218 706 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.218 706 G C 1.645 176.511 174.900 -0.057 0.000 1.146 706 G CA 0.557 45.627 45.100 -0.049 0.000 0.769 706 G HN 0.229 nan 8.290 nan 0.000 0.547 707 M N -0.392 119.119 119.600 -0.149 0.000 2.175 707 M HA 0.123 4.602 4.480 -0.001 0.000 0.264 707 M C 2.360 178.645 176.300 -0.025 0.000 1.063 707 M CA 1.074 56.288 55.300 -0.142 0.000 1.119 707 M CB -0.440 32.012 32.600 -0.247 0.000 1.377 707 M HN 0.244 nan 8.290 nan 0.000 0.415 708 F N 0.799 120.733 119.950 -0.026 0.000 2.171 708 F HA -0.247 4.279 4.527 -0.001 0.000 0.300 708 F C 2.279 178.090 175.800 0.018 0.000 1.090 708 F CA 0.390 58.393 58.000 0.005 0.000 1.293 708 F CB -0.330 38.678 39.000 0.013 0.000 1.013 708 F HN 0.198 nan 8.300 nan 0.000 0.486 709 D N 0.108 120.605 120.400 0.161 0.000 2.117 709 D HA -0.113 4.527 4.640 -0.001 0.000 0.198 709 D C 2.399 178.759 176.300 0.100 0.000 0.982 709 D CA 1.412 55.461 54.000 0.081 0.000 0.828 709 D CB -0.696 40.097 40.800 -0.011 0.000 0.967 709 D HN 0.304 nan 8.370 nan 0.000 0.464 710 G N 0.963 109.805 108.800 0.070 0.000 2.418 710 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.217 710 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.217 710 G C 1.672 176.662 174.900 0.151 0.000 1.158 710 G CA 0.271 45.414 45.100 0.071 0.000 0.771 710 G HN 0.231 nan 8.290 nan 0.000 0.545 711 I N 0.745 121.400 120.570 0.142 0.000 2.493 711 I HA -0.010 4.160 4.170 -0.001 0.000 0.254 711 I C 2.799 179.020 176.117 0.174 0.000 1.160 711 I CA 1.026 62.428 61.300 0.170 0.000 1.445 711 I CB -0.116 37.965 38.000 0.135 0.000 1.086 711 I HN 0.076 nan 8.210 nan 0.000 0.433 712 S N -0.462 115.334 115.700 0.161 0.000 2.356 712 S HA -0.247 4.223 4.470 -0.001 0.000 0.223 712 S C 1.968 176.648 174.600 0.134 0.000 1.032 712 S CA 1.592 59.861 58.200 0.115 0.000 1.005 712 S CB -0.573 62.709 63.200 0.136 0.000 0.867 712 S HN 0.647 nan 8.310 nan 0.000 0.449 713 Y N 2.200 122.548 120.300 0.080 0.000 2.114 713 Y HA -0.142 4.407 4.550 -0.001 0.000 0.282 713 Y C 1.794 177.755 175.900 0.101 0.000 1.165 713 Y CA 1.549 59.703 58.100 0.089 0.000 1.148 713 Y CB -0.425 38.074 38.460 0.066 0.000 0.972 713 Y HN 0.172 nan 8.280 nan 0.000 0.504 714 L N -0.608 120.678 121.223 0.104 0.000 2.275 714 L HA -0.144 4.196 4.340 -0.001 0.000 0.215 714 L C 1.212 178.087 176.870 0.009 0.000 1.119 714 L CA 0.320 55.201 54.840 0.068 0.000 0.790 714 L CB -0.277 41.878 42.059 0.160 0.000 0.919 714 L HN 0.243 nan 8.230 nan 0.000 0.443 715 L N -0.631 120.592 121.223 0.000 0.000 2.818 715 L HA 0.323 4.663 4.340 -0.001 0.000 0.243 715 L C 1.172 178.000 176.870 -0.070 0.000 1.185 715 L CA 0.707 55.539 54.840 -0.013 0.000 0.988 715 L CB -0.165 41.917 42.059 0.040 0.000 1.292 715 L HN 0.282 nan 8.230 nan 0.000 0.519 716 G N -0.639 108.076 108.800 -0.143 0.000 2.260 716 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.179 716 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.179 716 G C 0.784 175.648 174.900 -0.059 0.000 1.002 716 G CA -0.366 44.649 45.100 -0.142 0.000 0.677 716 G HN 0.136 nan 8.290 nan 0.000 0.486 717 R N 1.830 122.329 120.500 -0.002 0.000 3.710 717 R HA 0.230 4.569 4.340 -0.001 0.000 0.201 717 R C -0.009 176.405 176.300 0.190 0.000 1.641 717 R CA 0.621 56.805 56.100 0.140 0.000 1.390 717 R CB -1.325 29.087 30.300 0.186 0.000 1.341 717 R HN 0.757 nan 8.270 nan 0.000 0.728 718 N N -0.742 117.932 118.700 -0.043 0.000 2.934 718 N HA 0.144 4.884 4.740 -0.001 0.000 0.253 718 N C -0.171 174.870 175.510 -0.783 0.000 1.466 718 N CA -0.672 52.096 53.050 -0.469 0.000 0.858 718 N CB 1.044 39.197 38.487 -0.557 0.000 1.459 718 N HN -0.029 nan 8.380 nan 0.000 0.532 719 A N -0.184 122.024 122.820 -1.019 0.000 2.172 719 A HA 0.002 4.321 4.320 -0.001 0.000 0.216 719 A C 1.352 178.807 177.584 -0.216 0.000 1.154 719 A CA 0.993 52.671 52.037 -0.598 0.000 0.701 719 A CB -0.517 18.259 19.000 -0.374 0.000 0.789 719 A HN 0.580 nan 8.150 nan 0.000 0.465 720 M N -1.611 117.870 119.600 -0.199 0.000 2.382 720 M HA 0.105 4.585 4.480 -0.001 0.000 0.247 720 M C 0.473 176.709 176.300 -0.107 0.000 1.104 720 M CA 0.512 55.752 55.300 -0.100 0.000 1.030 720 M CB -0.692 31.871 32.600 -0.062 0.000 1.424 720 M HN 0.478 nan 8.290 nan 0.000 0.486 721 D N 2.294 122.617 120.400 -0.129 0.000 2.737 721 D HA -0.221 4.419 4.640 -0.001 0.000 0.233 721 D C -0.072 176.148 176.300 -0.135 0.000 1.155 721 D CA 0.758 54.723 54.000 -0.059 0.000 0.667 721 D CB -0.447 40.387 40.800 0.057 0.000 1.060 721 D HN 0.362 nan 8.370 nan 0.000 0.427 722 Q N 0.172 119.758 119.800 -0.357 0.000 2.325 722 Q HA 0.498 4.838 4.340 -0.001 0.000 0.262 722 Q C -0.748 174.825 176.000 -0.711 0.000 0.968 722 Q CA -0.629 54.842 55.803 -0.553 0.000 0.877 722 Q CB 1.565 29.798 28.738 -0.841 0.000 1.253 722 Q HN 0.139 nan 8.270 nan 0.000 0.448 723 S N 4.106 119.552 115.700 -0.422 0.000 2.481 723 S HA 0.148 4.618 4.470 -0.001 0.000 0.276 723 S C -0.233 174.140 174.600 -0.378 0.000 1.247 723 S CA -0.138 57.873 58.200 -0.316 0.000 1.053 723 S CB 0.199 63.330 63.200 -0.115 0.000 0.925 723 S HN 0.769 nan 8.310 nan 0.000 0.491 724 Y N 3.534 123.721 120.300 -0.188 0.000 2.471 724 Y HA 0.267 4.816 4.550 -0.001 0.000 0.286 724 Y C 0.328 176.129 175.900 -0.166 0.000 1.188 724 Y CA -0.370 57.599 58.100 -0.218 0.000 1.286 724 Y CB 0.557 38.829 38.460 -0.312 0.000 1.072 724 Y HN 0.397 nan 8.280 nan 0.000 0.517 725 V N 0.977 120.884 119.914 -0.012 0.000 2.417 725 V HA 0.161 4.280 4.120 -0.001 0.000 0.291 725 V C 0.284 176.428 176.094 0.085 0.000 1.024 725 V CA -1.260 61.029 62.300 -0.019 0.000 0.861 725 V CB 1.403 33.240 31.823 0.025 0.000 0.985 725 V HN 0.281 nan 8.190 nan 0.000 0.436 726 T N 1.206 115.801 114.554 0.069 0.000 2.946 726 T HA 0.400 4.749 4.350 -0.001 0.000 0.311 726 T C 1.289 176.043 174.700 0.091 0.000 1.063 726 T CA 0.491 62.624 62.100 0.055 0.000 1.139 726 T CB 0.894 69.757 68.868 -0.008 0.000 0.994 726 T HN 1.958 nan 8.240 nan 0.000 0.547 727 G N 1.134 109.931 108.800 -0.005 0.000 2.155 727 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.257 727 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.257 727 G C -0.194 174.485 174.900 -0.368 0.000 0.983 727 G CA 0.437 45.445 45.100 -0.153 0.000 0.676 727 G HN 0.934 nan 8.290 nan 0.000 0.528 728 Y N -0.500 119.803 120.300 0.005 0.000 2.457 728 Y HA 0.562 5.112 4.550 -0.001 0.000 0.343 728 Y C 0.714 176.597 175.900 -0.028 0.000 0.994 728 Y CA 0.134 58.237 58.100 0.004 0.000 1.031 728 Y CB 2.256 40.740 38.460 0.040 0.000 1.246 728 Y HN 1.268 nan 8.280 nan 0.000 0.449 729 G N 2.097 110.960 108.800 0.105 0.000 2.612 729 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.686 729 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.686 729 G C -0.178 174.680 174.900 -0.070 0.000 1.274 729 G CA -0.580 44.526 45.100 0.009 0.000 0.849 729 G HN 0.593 nan 8.290 nan 0.000 0.595 730 E N -0.171 119.925 120.200 -0.173 0.000 2.216 730 E HA 0.065 4.414 4.350 -0.001 0.000 0.192 730 E C 1.836 178.312 176.600 -0.207 0.000 0.988 730 E CA 0.932 57.184 56.400 -0.246 0.000 0.834 730 E CB 0.206 29.600 29.700 -0.509 0.000 0.772 730 E HN 0.442 nan 8.360 nan 0.000 0.479 731 R N 1.285 121.668 120.500 -0.194 0.000 2.724 731 R HA 0.196 4.535 4.340 -0.001 0.000 0.284 731 R C -2.631 173.613 176.300 -0.093 0.000 1.481 731 R CA -2.052 53.981 56.100 -0.111 0.000 1.652 731 R CB 0.544 30.793 30.300 -0.086 0.000 1.175 731 R HN 0.016 nan 8.270 nan 0.000 0.613 732 P HA -0.005 nan 4.420 nan 0.000 0.274 732 P C -0.454 176.840 177.300 -0.010 0.000 1.246 732 P CA -0.473 62.609 63.100 -0.030 0.000 0.795 732 P CB 1.128 32.817 31.700 -0.019 0.000 1.006 733 L N 2.031 123.263 121.223 0.014 0.000 2.369 733 L HA 0.044 4.384 4.340 -0.001 0.000 0.279 733 L C 1.498 178.411 176.870 0.071 0.000 1.108 733 L CA 0.671 55.554 54.840 0.072 0.000 0.852 733 L CB -0.022 42.103 42.059 0.111 0.000 1.169 733 L HN 0.326 nan 8.230 nan 0.000 0.452 734 Q N 2.453 122.300 119.800 0.078 0.000 2.431 734 Q HA 0.185 4.524 4.340 -0.001 0.000 0.244 734 Q C -0.041 176.001 176.000 0.071 0.000 0.880 734 Q CA 0.447 56.284 55.803 0.057 0.000 0.954 734 Q CB 0.618 29.376 28.738 0.035 0.000 1.105 734 Q HN 0.745 nan 8.270 nan 0.000 0.558 735 N N 1.692 120.442 118.700 0.083 0.000 2.735 735 N HA 0.188 4.928 4.740 -0.001 0.000 0.312 735 N C -2.737 172.844 175.510 0.118 0.000 1.843 735 N CA -1.099 51.988 53.050 0.062 0.000 0.945 735 N CB 1.085 39.554 38.487 -0.029 0.000 1.299 735 N HN 0.090 nan 8.380 nan 0.000 0.489 736 P HA -0.128 nan 4.420 nan 0.000 0.269 736 P C -0.592 176.852 177.300 0.240 0.000 1.215 736 P CA 0.302 63.547 63.100 0.242 0.000 0.780 736 P CB 0.716 32.582 31.700 0.276 0.000 0.898 737 H N 2.373 121.556 119.070 0.189 0.000 3.160 737 H HA 0.147 4.702 4.556 -0.001 0.000 0.257 737 H C -0.885 174.526 175.328 0.139 0.000 1.140 737 H CA 0.674 56.824 56.048 0.170 0.000 1.492 737 H CB -0.417 29.480 29.762 0.225 0.000 1.529 737 H HN 0.423 nan 8.280 nan 0.000 0.490 738 D N 3.153 123.454 120.400 -0.166 0.000 2.837 738 D HA 0.167 4.807 4.640 -0.001 0.000 0.220 738 D C 0.788 176.924 176.300 -0.274 0.000 1.236 738 D CA -0.638 53.257 54.000 -0.176 0.000 0.838 738 D CB 1.448 42.234 40.800 -0.022 0.000 1.647 738 D HN 0.387 nan 8.370 nan 0.000 0.486 739 R N 1.499 121.812 120.500 -0.311 0.000 2.148 739 R HA 0.040 4.379 4.340 -0.001 0.000 0.223 739 R C 1.255 177.400 176.300 -0.258 0.000 1.088 739 R CA 0.975 56.892 56.100 -0.305 0.000 0.985 739 R CB 0.009 30.103 30.300 -0.343 0.000 0.880 739 R HN 0.440 nan 8.270 nan 0.000 0.451 740 F N -0.792 118.911 119.950 -0.413 0.000 2.390 740 F HA 0.091 4.617 4.527 -0.001 0.000 0.281 740 F C -0.005 175.742 175.800 -0.088 0.000 1.016 740 F CA -0.002 57.800 58.000 -0.330 0.000 1.286 740 F CB -0.068 38.685 39.000 -0.411 0.000 1.134 740 F HN -0.088 nan 8.300 nan 0.000 0.597 741 W N 2.497 123.752 121.300 -0.075 0.000 1.438 741 W HA 0.329 4.988 4.660 -0.001 0.000 0.455 741 W C 0.357 176.859 176.519 -0.028 0.000 0.656 741 W CA -0.255 57.011 57.345 -0.131 0.000 2.049 741 W CB -1.254 28.122 29.460 -0.140 0.000 1.683 741 W HN -0.051 nan 8.180 nan 0.000 0.228 742 T N 0.819 115.476 114.554 0.172 0.000 3.418 742 T HA 0.251 4.600 4.350 -0.001 0.000 0.315 742 T C -1.551 173.257 174.700 0.179 0.000 1.447 742 T CA -1.499 60.658 62.100 0.094 0.000 1.641 742 T CB 0.665 69.496 68.868 -0.061 0.000 0.904 742 T HN -0.233 nan 8.240 nan 0.000 0.640 743 P HA -0.123 nan 4.420 nan 0.000 0.217 743 P C 1.496 178.868 177.300 0.120 0.000 1.148 743 P CA 1.186 64.389 63.100 0.172 0.000 0.828 743 P CB 0.201 31.964 31.700 0.105 0.000 0.783 744 Q N -1.527 118.304 119.800 0.052 0.000 2.224 744 Q HA -0.095 4.244 4.340 -0.001 0.000 0.203 744 Q C 1.851 177.883 176.000 0.053 0.000 0.970 744 Q CA 1.521 57.323 55.803 -0.002 0.000 0.865 744 Q CB -0.555 28.087 28.738 -0.159 0.000 0.922 744 Q HN 0.299 nan 8.270 nan 0.000 0.445 745 T N -0.332 114.281 114.554 0.099 0.000 2.812 745 T HA -0.039 4.310 4.350 -0.001 0.000 0.264 745 T C 0.789 175.625 174.700 0.225 0.000 1.042 745 T CA 0.986 63.170 62.100 0.140 0.000 1.140 745 T CB 0.142 69.061 68.868 0.084 0.000 0.870 745 T HN 0.090 nan 8.240 nan 0.000 0.445 746 S N -0.916 114.984 115.700 0.334 0.000 2.548 746 S HA 0.324 4.794 4.470 -0.001 0.000 0.278 746 S C -0.375 174.343 174.600 0.195 0.000 1.150 746 S CA -0.829 57.519 58.200 0.247 0.000 0.907 746 S CB 1.368 64.710 63.200 0.236 0.000 1.108 746 S HN 0.125 nan 8.310 nan 0.000 0.459 747 K N 2.063 122.509 120.400 0.076 0.000 2.504 747 K HA -0.010 4.309 4.320 -0.001 0.000 0.195 747 K C 2.133 178.723 176.600 -0.016 0.000 1.036 747 K CA 0.705 57.020 56.287 0.045 0.000 0.984 747 K CB -0.075 32.438 32.500 0.022 0.000 0.788 747 K HN 0.632 nan 8.250 nan 0.000 0.488 748 R N 0.197 120.620 120.500 -0.129 0.000 2.148 748 R HA -0.043 4.296 4.340 -0.001 0.000 0.227 748 R C 0.114 176.267 176.300 -0.246 0.000 1.103 748 R CA 0.623 56.572 56.100 -0.252 0.000 0.983 748 R CB -0.346 29.709 30.300 -0.408 0.000 0.874 748 R HN -0.053 nan 8.270 nan 0.000 0.451 749 F N 2.954 122.975 119.950 0.120 0.000 2.389 749 F HA 0.374 4.900 4.527 -0.001 0.000 0.337 749 F C -1.696 174.171 175.800 0.112 0.000 1.112 749 F CA -2.938 55.167 58.000 0.176 0.000 1.192 749 F CB 0.697 39.819 39.000 0.202 0.000 1.185 749 F HN -0.050 nan 8.300 nan 0.000 0.552 750 P HA 0.255 nan 4.420 nan 0.000 0.281 750 P C -1.067 176.337 177.300 0.174 0.000 1.249 750 P CA -0.462 62.710 63.100 0.121 0.000 0.810 750 P CB 1.199 32.893 31.700 -0.010 0.000 1.008 751 A N 4.451 127.338 122.820 0.113 0.000 2.520 751 A HA 0.315 4.634 4.320 -0.001 0.000 0.235 751 A C -1.870 175.803 177.584 0.149 0.000 1.065 751 A CA -0.898 51.211 52.037 0.121 0.000 0.764 751 A CB -1.393 17.652 19.000 0.075 0.000 1.002 751 A HN 0.458 nan 8.150 nan 0.000 0.502 752 P HA 0.234 nan 4.420 nan 0.000 0.272 752 P C -2.666 174.200 177.300 -0.723 0.000 1.223 752 P CA -1.248 61.504 63.100 -0.581 0.000 0.784 752 P CB -0.390 31.148 31.700 -0.269 0.000 0.923 753 P HA 0.122 nan 4.420 nan 0.000 0.269 753 P C -2.147 174.759 177.300 -0.656 0.000 1.217 753 P CA -1.008 61.152 63.100 -1.567 0.000 0.783 753 P CB -1.198 29.288 31.700 -2.024 0.000 0.898 754 P HA 0.069 nan 4.420 nan 0.000 0.274 754 P C 0.477 177.833 177.300 0.093 0.000 1.246 754 P CA 0.352 63.407 63.100 -0.074 0.000 0.795 754 P CB 0.246 31.915 31.700 -0.052 0.000 1.006 755 G N 0.394 109.389 108.800 0.326 0.000 2.160 755 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.244 755 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.244 755 G C -0.154 174.935 174.900 0.314 0.000 1.022 755 G CA -0.157 45.209 45.100 0.442 0.000 0.741 755 G HN 0.482 nan 8.290 nan 0.000 0.508 756 I N 0.208 120.830 120.570 0.086 0.000 2.406 756 I HA 0.563 4.733 4.170 -0.001 0.000 0.290 756 I C 0.238 176.249 176.117 -0.178 0.000 0.999 756 I CA -1.095 60.175 61.300 -0.050 0.000 1.124 756 I CB 1.844 39.869 38.000 0.041 0.000 1.289 756 I HN 0.142 nan 8.210 nan 0.000 0.441 757 I N 5.066 125.432 120.570 -0.339 0.000 2.392 757 I HA 0.285 4.455 4.170 -0.001 0.000 0.295 757 I C 0.494 176.584 176.117 -0.044 0.000 0.985 757 I CA 0.171 61.262 61.300 -0.348 0.000 1.221 757 I CB 1.507 39.098 38.000 -0.682 0.000 1.366 757 I HN 0.628 nan 8.210 nan 0.000 0.467 758 S N 4.336 120.046 115.700 0.018 0.000 2.584 758 S HA 0.321 4.790 4.470 -0.001 0.000 0.273 758 S C 1.334 175.886 174.600 -0.079 0.000 1.311 758 S CA 0.075 58.356 58.200 0.136 0.000 1.034 758 S CB 1.344 64.692 63.200 0.246 0.000 0.939 758 S HN 0.895 nan 8.310 nan 0.000 0.513 759 G N 2.474 111.233 108.800 -0.069 0.000 2.450 759 G HA2 0.339 4.299 3.960 -0.001 0.000 0.220 759 G HA3 0.339 4.299 3.960 -0.001 0.000 0.220 759 G C 1.026 175.618 174.900 -0.513 0.000 1.130 759 G CA 0.534 45.175 45.100 -0.764 0.000 0.760 759 G HN 1.740 nan 8.290 nan 0.000 0.557 760 G N -0.751 107.858 108.800 -0.318 0.000 2.698 760 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.225 760 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.225 760 G C -2.785 172.024 174.900 -0.151 0.000 1.345 760 G CA -0.476 44.308 45.100 -0.526 0.000 0.871 760 G HN 0.339 nan 8.290 nan 0.000 0.540 761 P HA 0.149 nan 4.420 nan 0.000 0.263 761 P C -0.166 177.141 177.300 0.010 0.000 1.175 761 P CA 0.748 63.875 63.100 0.044 0.000 0.761 761 P CB 0.228 31.983 31.700 0.091 0.000 0.794 762 N N 0.952 119.605 118.700 -0.079 0.000 2.571 762 N HA 0.156 4.895 4.740 -0.001 0.000 0.286 762 N C 0.046 175.384 175.510 -0.288 0.000 1.138 762 N CA -0.350 52.622 53.050 -0.130 0.000 0.859 762 N CB 0.772 39.138 38.487 -0.202 0.000 1.414 762 N HN 0.185 nan 8.380 nan 0.000 0.529 763 S N 2.556 118.081 115.700 -0.291 0.000 2.710 763 S HA 0.163 4.632 4.470 -0.001 0.000 0.224 763 S C 1.074 175.304 174.600 -0.616 0.000 0.948 763 S CA -0.222 57.645 58.200 -0.555 0.000 0.949 763 S CB 0.056 63.039 63.200 -0.361 0.000 0.778 763 S HN 0.538 nan 8.310 nan 0.000 0.498 764 R N 0.135 120.415 120.500 -0.367 0.000 2.317 764 R HA 0.422 4.762 4.340 -0.001 0.000 0.208 764 R C -0.643 175.627 176.300 -0.051 0.000 0.914 764 R CA -0.490 55.527 56.100 -0.138 0.000 1.060 764 R CB -0.870 29.444 30.300 0.022 0.000 1.015 764 R HN 0.352 nan 8.270 nan 0.000 0.498 765 F N 0.455 120.364 119.950 -0.069 0.000 2.807 765 F HA -0.251 4.275 4.527 -0.001 0.000 0.297 765 F C 0.140 175.870 175.800 -0.117 0.000 1.024 765 F CA 0.446 58.380 58.000 -0.110 0.000 1.008 765 F CB -1.706 37.246 39.000 -0.080 0.000 1.142 765 F HN 0.236 nan 8.300 nan 0.000 0.829 766 E N -0.126 120.026 120.200 -0.079 0.000 2.499 766 E HA 0.198 4.548 4.350 -0.001 0.000 0.199 766 E C 0.074 176.541 176.600 -0.221 0.000 1.016 766 E CA 0.328 56.700 56.400 -0.048 0.000 0.933 766 E CB 0.357 30.088 29.700 0.053 0.000 1.050 766 E HN 0.683 nan 8.360 nan 0.000 0.462 767 D N -2.739 117.405 120.400 -0.428 0.000 2.602 767 D HA 0.157 4.797 4.640 -0.001 0.000 0.236 767 D C -2.449 173.567 176.300 -0.473 0.000 1.209 767 D CA -1.967 51.578 54.000 -0.758 0.000 0.831 767 D CB 1.685 41.419 40.800 -1.777 0.000 1.478 767 D HN -0.343 nan 8.370 nan 0.000 0.438 768 P HA -0.104 nan 4.420 nan 0.000 0.218 768 P C 1.067 178.211 177.300 -0.261 0.000 1.148 768 P CA 1.277 64.237 63.100 -0.234 0.000 0.822 768 P CB 0.117 31.729 31.700 -0.148 0.000 0.784 769 T N -0.224 114.109 114.554 -0.370 0.000 2.701 769 T HA -0.134 4.215 4.350 -0.001 0.000 0.263 769 T C 1.734 176.261 174.700 -0.289 0.000 1.040 769 T CA 1.020 62.908 62.100 -0.354 0.000 1.147 769 T CB -0.893 67.708 68.868 -0.444 0.000 0.865 769 T HN 0.018 nan 8.240 nan 0.000 0.426 770 I N 1.899 122.294 120.570 -0.291 0.000 2.286 770 I HA -0.128 4.041 4.170 -0.001 0.000 0.248 770 I C 2.094 178.184 176.117 -0.044 0.000 1.115 770 I CA 1.168 62.363 61.300 -0.174 0.000 1.392 770 I CB -0.388 37.494 38.000 -0.196 0.000 1.065 770 I HN 0.135 nan 8.210 nan 0.000 0.418 771 N N 0.702 119.365 118.700 -0.062 0.000 2.149 771 N HA -0.146 4.593 4.740 -0.001 0.000 0.188 771 N C 1.734 177.169 175.510 -0.126 0.000 1.019 771 N CA 1.652 54.656 53.050 -0.077 0.000 0.857 771 N CB -0.130 38.294 38.487 -0.105 0.000 0.997 771 N HN 0.526 nan 8.380 nan 0.000 0.426 772 A N 0.036 122.779 122.820 -0.128 0.000 2.081 772 A HA 0.313 4.632 4.320 -0.001 0.000 0.214 772 A C 2.137 179.659 177.584 -0.104 0.000 1.158 772 A CA 1.006 52.972 52.037 -0.117 0.000 0.724 772 A CB -0.053 18.875 19.000 -0.120 0.000 0.826 772 A HN 0.300 nan 8.150 nan 0.000 0.463 773 A N -0.376 122.380 122.820 -0.106 0.000 1.984 773 A HA 0.424 4.744 4.320 -0.001 0.000 0.214 773 A C 1.015 178.570 177.584 -0.049 0.000 1.173 773 A CA 1.259 53.243 52.037 -0.089 0.000 0.673 773 A CB -0.509 18.419 19.000 -0.119 0.000 0.830 773 A HN 1.205 nan 8.150 nan 0.000 0.453 774 V N -2.789 117.111 119.914 -0.023 0.000 2.962 774 V HA 0.588 4.708 4.120 -0.001 0.000 0.313 774 V C -0.759 175.332 176.094 -0.005 0.000 1.099 774 V CA -1.449 60.860 62.300 0.015 0.000 0.971 774 V CB 1.532 33.398 31.823 0.071 0.000 1.028 774 V HN 0.270 nan 8.190 nan 0.000 0.430 775 K N 1.876 122.270 120.400 -0.010 0.000 2.276 775 K HA 0.316 4.635 4.320 -0.001 0.000 0.259 775 K C 0.739 177.295 176.600 -0.073 0.000 1.001 775 K CA -0.531 55.718 56.287 -0.063 0.000 0.927 775 K CB 0.427 32.907 32.500 -0.033 0.000 0.969 775 K HN 0.575 nan 8.250 nan 0.000 0.490 776 K N 1.518 121.784 120.400 -0.223 0.000 2.283 776 K HA -0.120 4.199 4.320 -0.001 0.000 0.202 776 K C 0.821 177.453 176.600 0.054 0.000 1.048 776 K CA 1.337 57.419 56.287 -0.341 0.000 0.948 776 K CB -0.160 32.117 32.500 -0.372 0.000 0.742 776 K HN 0.684 nan 8.250 nan 0.000 0.458 777 D N -0.388 120.040 120.400 0.047 0.000 2.325 777 D HA -0.025 4.614 4.640 -0.001 0.000 0.225 777 D C -0.281 176.071 176.300 0.087 0.000 1.096 777 D CA -0.131 53.911 54.000 0.069 0.000 0.844 777 D CB -0.459 40.356 40.800 0.025 0.000 0.925 777 D HN -0.265 nan 8.370 nan 0.000 0.513 778 T N 3.026 117.668 114.554 0.146 0.000 2.908 778 T HA 0.136 4.485 4.350 -0.001 0.000 0.301 778 T C -2.311 172.409 174.700 0.034 0.000 1.019 778 T CA -0.590 61.568 62.100 0.097 0.000 1.152 778 T CB 0.763 69.711 68.868 0.132 0.000 0.966 778 T HN 0.123 nan 8.240 nan 0.000 0.540 779 P HA 0.089 nan 4.420 nan 0.000 0.266 779 P C -1.794 175.401 177.300 -0.176 0.000 1.195 779 P CA -1.340 61.716 63.100 -0.073 0.000 0.768 779 P CB 0.092 31.762 31.700 -0.050 0.000 0.838 780 P HA -0.214 nan 4.420 nan 0.000 0.216 780 P C 1.444 178.304 177.300 -0.733 0.000 1.153 780 P CA 1.536 64.318 63.100 -0.530 0.000 0.858 780 P CB -0.110 31.185 31.700 -0.676 0.000 0.789 781 Q N -0.464 118.898 119.800 -0.731 0.000 2.437 781 Q HA -0.092 4.247 4.340 -0.001 0.000 0.210 781 Q C 1.230 177.142 176.000 -0.147 0.000 0.972 781 Q CA 0.997 56.544 55.803 -0.428 0.000 0.903 781 Q CB -0.151 28.482 28.738 -0.176 0.000 0.967 781 Q HN 0.232 nan 8.270 nan 0.000 0.486 782 K N -1.173 119.148 120.400 -0.132 0.000 2.373 782 K HA 0.175 4.495 4.320 -0.001 0.000 0.202 782 K C -0.264 176.342 176.600 0.009 0.000 1.025 782 K CA -0.357 55.916 56.287 -0.023 0.000 1.115 782 K CB 0.765 33.255 32.500 -0.017 0.000 0.858 782 K HN 0.050 nan 8.250 nan 0.000 0.525 783 C N 2.488 121.752 119.300 -0.061 0.000 3.025 783 C HA 0.318 4.777 4.460 -0.001 0.000 0.547 783 C C -0.449 174.550 174.990 0.015 0.000 1.058 783 C CA -0.620 58.342 59.018 -0.093 0.000 1.164 783 C CB -2.326 25.238 27.740 -0.293 0.000 1.405 783 C HN 0.289 nan 8.230 nan 0.000 0.610 784 F N 1.999 121.900 119.950 -0.080 0.000 2.641 784 F HA 0.785 5.311 4.527 -0.001 0.000 0.308 784 F C -1.444 174.349 175.800 -0.012 0.000 1.105 784 F CA -1.211 56.766 58.000 -0.039 0.000 0.964 784 F CB 0.925 39.956 39.000 0.051 0.000 1.294 784 F HN 0.139 nan 8.300 nan 0.000 0.442 785 I N 4.168 124.056 120.570 -1.136 0.000 2.607 785 I HA 0.315 4.485 4.170 -0.001 0.000 0.290 785 I C -1.344 174.104 176.117 -1.116 0.000 1.129 785 I CA -0.346 60.427 61.300 -0.878 0.000 1.042 785 I CB 1.662 39.442 38.000 -0.367 0.000 1.242 785 I HN 0.600 nan 8.210 nan 0.000 0.421 786 D N 6.447 126.454 120.400 -0.656 0.000 2.608 786 D HA 0.109 4.748 4.640 -0.001 0.000 0.224 786 D C -0.935 175.329 176.300 -0.061 0.000 1.123 786 D CA 0.641 54.520 54.000 -0.202 0.000 1.030 786 D CB -0.245 40.617 40.800 0.103 0.000 1.093 786 D HN 0.417 nan 8.370 nan 0.000 0.497 787 H N 0.701 119.671 119.070 -0.166 0.000 2.679 787 H HA 0.164 4.720 4.556 -0.001 0.000 0.360 787 H C 0.688 176.014 175.328 -0.004 0.000 1.105 787 H CA -0.386 55.617 56.048 -0.075 0.000 1.196 787 H CB 2.109 31.805 29.762 -0.111 0.000 1.636 787 H HN 0.084 nan 8.280 nan 0.000 0.531 788 T N 1.623 116.124 114.554 -0.087 0.000 2.881 788 T HA -0.114 4.235 4.350 -0.001 0.000 0.270 788 T C 0.722 175.653 174.700 0.384 0.000 1.068 788 T CA 1.698 63.869 62.100 0.119 0.000 1.131 788 T CB -0.012 68.850 68.868 -0.011 0.000 0.871 788 T HN 0.539 nan 8.240 nan 0.000 0.479 789 D N 0.726 121.461 120.400 0.559 0.000 2.355 789 D HA 0.088 4.728 4.640 -0.001 0.000 0.218 789 D C 0.821 177.172 176.300 0.085 0.000 1.004 789 D CA 0.248 54.486 54.000 0.398 0.000 0.880 789 D CB -0.132 40.812 40.800 0.239 0.000 0.911 789 D HN 0.261 nan 8.370 nan 0.000 0.528 790 S N 1.200 116.899 115.700 -0.002 0.000 3.530 790 S HA 0.091 4.560 4.470 -0.001 0.000 0.279 790 S C 1.004 175.431 174.600 -0.290 0.000 1.280 790 S CA -0.782 57.230 58.200 -0.314 0.000 0.946 790 S CB -0.522 62.504 63.200 -0.289 0.000 1.501 790 S HN 0.301 nan 8.310 nan 0.000 0.498 791 W N 3.493 124.552 121.300 -0.401 0.000 2.425 791 W HA 0.006 4.666 4.660 -0.001 0.000 0.277 791 W C 1.805 178.087 176.519 -0.394 0.000 1.231 791 W CA 0.790 57.837 57.345 -0.496 0.000 1.248 791 W CB -1.116 27.861 29.460 -0.805 0.000 1.117 791 W HN 0.660 nan 8.180 nan 0.000 0.568 792 S N -1.222 113.994 115.700 -0.807 0.000 2.522 792 S HA 0.022 4.492 4.470 -0.001 0.000 0.227 792 S C 1.393 175.453 174.600 -0.900 0.000 0.986 792 S CA 1.238 58.628 58.200 -1.350 0.000 0.929 792 S CB -0.505 61.946 63.200 -1.248 0.000 0.769 792 S HN 0.261 nan 8.310 nan 0.000 0.529 793 T N 0.908 115.192 114.554 -0.450 0.000 2.954 793 T HA 0.327 4.676 4.350 -0.001 0.000 0.252 793 T C 0.484 175.240 174.700 0.093 0.000 0.983 793 T CA -0.080 61.911 62.100 -0.181 0.000 0.941 793 T CB 0.038 68.771 68.868 -0.226 0.000 1.141 793 T HN 0.410 nan 8.240 nan 0.000 0.500 794 N N 1.508 120.271 118.700 0.104 0.000 2.471 794 N HA 0.196 4.936 4.740 -0.001 0.000 0.270 794 N C -0.693 175.031 175.510 0.357 0.000 1.490 794 N CA -0.095 53.120 53.050 0.275 0.000 0.850 794 N CB 0.729 39.306 38.487 0.150 0.000 1.411 794 N HN 0.288 nan 8.380 nan 0.000 0.488 795 E N 0.280 120.758 120.200 0.463 0.000 2.312 795 E HA 0.456 4.805 4.350 -0.001 0.000 0.259 795 E C -0.194 176.761 176.600 0.591 0.000 1.122 795 E CA -0.660 56.059 56.400 0.532 0.000 0.922 795 E CB 0.959 30.974 29.700 0.525 0.000 1.109 795 E HN 0.343 nan 8.360 nan 0.000 0.442 796 I N -0.958 119.851 120.570 0.398 0.000 2.608 796 I HA 0.669 4.838 4.170 -0.001 0.000 0.295 796 I C -0.705 175.472 176.117 0.099 0.000 1.049 796 I CA -0.700 60.788 61.300 0.315 0.000 1.063 796 I CB 2.113 40.311 38.000 0.330 0.000 1.248 796 I HN 0.549 nan 8.210 nan 0.000 0.424 797 T N 0.789 115.271 114.554 -0.120 0.000 2.843 797 T HA 0.374 4.723 4.350 -0.001 0.000 0.302 797 T C 0.839 175.447 174.700 -0.152 0.000 1.232 797 T CA -0.145 61.829 62.100 -0.210 0.000 1.009 797 T CB 1.599 69.989 68.868 -0.796 0.000 1.254 797 T HN 0.840 nan 8.240 nan 0.000 0.504 798 V N 0.400 120.373 119.914 0.098 0.000 2.407 798 V HA -0.115 4.004 4.120 -0.001 0.000 0.248 798 V C 1.969 178.217 176.094 0.257 0.000 1.055 798 V CA 2.205 64.640 62.300 0.225 0.000 1.049 798 V CB -1.749 30.342 31.823 0.447 0.000 0.662 798 V HN 1.006 nan 8.190 nan 0.000 0.455 799 N N -2.115 116.657 118.700 0.119 0.000 2.467 799 N HA -0.071 4.669 4.740 -0.001 0.000 0.184 799 N C 1.405 177.152 175.510 0.395 0.000 1.106 799 N CA 0.771 53.965 53.050 0.241 0.000 0.892 799 N CB -0.168 38.449 38.487 0.217 0.000 0.969 799 N HN 0.576 nan 8.380 nan 0.000 0.454 800 W N 0.294 121.662 121.300 0.113 0.000 2.699 800 W HA 0.358 5.017 4.660 -0.001 0.000 0.265 800 W C 1.395 177.934 176.519 0.035 0.000 1.210 800 W CA -0.344 57.034 57.345 0.055 0.000 1.414 800 W CB -0.987 28.477 29.460 0.007 0.000 1.043 800 W HN 0.114 nan 8.180 nan 0.000 0.599 801 N N 0.531 119.281 118.700 0.083 0.000 2.396 801 N HA -0.016 4.723 4.740 -0.001 0.000 0.180 801 N C 1.817 177.569 175.510 0.403 0.000 1.028 801 N CA 1.441 54.504 53.050 0.022 0.000 0.893 801 N CB -0.215 37.835 38.487 -0.728 0.000 0.967 801 N HN -0.026 nan 8.380 nan 0.000 0.440 802 A N 1.416 124.563 122.820 0.545 0.000 1.855 802 A HA -0.041 4.279 4.320 -0.001 0.000 0.215 802 A C -0.339 177.525 177.584 0.468 0.000 1.191 802 A CA 1.250 53.632 52.037 0.575 0.000 0.613 802 A CB -1.498 17.803 19.000 0.501 0.000 0.829 802 A HN 0.240 nan 8.150 nan 0.000 0.442 803 P HA -0.133 nan 4.420 nan 0.000 0.221 803 P C 1.442 178.981 177.300 0.398 0.000 1.150 803 P CA 0.842 64.170 63.100 0.379 0.000 0.800 803 P CB -0.195 31.669 31.700 0.273 0.000 0.787 804 F N 1.852 121.937 119.950 0.224 0.000 2.134 804 F HA -0.067 4.460 4.527 -0.001 0.000 0.299 804 F C 2.354 178.272 175.800 0.197 0.000 1.097 804 F CA 1.354 59.455 58.000 0.169 0.000 1.264 804 F CB -1.003 38.063 39.000 0.110 0.000 1.001 804 F HN -0.078 nan 8.300 nan 0.000 0.479 805 A N -0.716 122.225 122.820 0.201 0.000 1.902 805 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 805 A C 2.199 179.855 177.584 0.120 0.000 1.181 805 A CA 1.433 53.524 52.037 0.090 0.000 0.623 805 A CB -1.825 17.316 19.000 0.236 0.000 0.818 805 A HN 0.691 nan 8.150 nan 0.000 0.443 806 W N 0.237 121.590 121.300 0.088 0.000 2.333 806 W HA -0.200 4.459 4.660 -0.001 0.000 0.316 806 W C 2.167 178.729 176.519 0.071 0.000 1.215 806 W CA 2.363 59.778 57.345 0.117 0.000 1.278 806 W CB -0.167 29.391 29.460 0.163 0.000 1.154 806 W HN 0.123 nan 8.180 nan 0.000 0.486 807 V N 0.539 120.723 119.914 0.449 0.000 2.358 807 V HA -0.317 3.803 4.120 -0.001 0.000 0.246 807 V C 2.497 178.603 176.094 0.021 0.000 1.047 807 V CA 2.487 64.955 62.300 0.280 0.000 1.035 807 V CB -1.377 30.545 31.823 0.164 0.000 0.658 807 V HN 0.459 nan 8.190 nan 0.000 0.452 808 T N -1.170 113.281 114.554 -0.173 0.000 2.821 808 T HA -0.095 4.255 4.350 -0.001 0.000 0.267 808 T C 1.938 176.569 174.700 -0.114 0.000 1.046 808 T CA 1.338 63.278 62.100 -0.268 0.000 1.139 808 T CB -0.456 68.149 68.868 -0.438 0.000 0.871 808 T HN 0.435 nan 8.240 nan 0.000 0.454 809 A N 0.354 123.124 122.820 -0.084 0.000 1.933 809 A HA 0.015 4.334 4.320 -0.001 0.000 0.218 809 A C 2.157 179.781 177.584 0.067 0.000 1.175 809 A CA 1.393 53.423 52.037 -0.011 0.000 0.628 809 A CB -1.227 17.734 19.000 -0.065 0.000 0.814 809 A HN 0.615 nan 8.150 nan 0.000 0.444 810 Y N 0.458 120.676 120.300 -0.137 0.000 2.145 810 Y HA -0.171 4.378 4.550 -0.001 0.000 0.286 810 Y C 2.046 177.890 175.900 -0.093 0.000 1.145 810 Y CA 1.952 59.950 58.100 -0.170 0.000 1.148 810 Y CB -0.183 38.179 38.460 -0.163 0.000 0.981 810 Y HN 0.225 nan 8.280 nan 0.000 0.507 811 L N -0.275 121.017 121.223 0.116 0.000 2.046 811 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 811 L C 2.083 179.007 176.870 0.090 0.000 1.077 811 L CA 1.782 56.648 54.840 0.043 0.000 0.747 811 L CB -0.603 41.271 42.059 -0.308 0.000 0.896 811 L HN 0.223 nan 8.230 nan 0.000 0.432 812 D N -0.453 120.018 120.400 0.118 0.000 2.178 812 D HA -0.237 4.403 4.640 -0.001 0.000 0.202 812 D C 2.243 178.616 176.300 0.122 0.000 0.974 812 D CA 0.935 55.066 54.000 0.218 0.000 0.841 812 D CB 0.119 41.085 40.800 0.277 0.000 0.953 812 D HN 0.275 nan 8.370 nan 0.000 0.478 813 Q N -1.087 118.670 119.800 -0.071 0.000 2.084 813 Q HA -0.263 4.076 4.340 -0.001 0.000 0.202 813 Q C 2.427 178.229 176.000 -0.330 0.000 0.978 813 Q CA 1.915 57.428 55.803 -0.484 0.000 0.844 813 Q CB -0.591 27.745 28.738 -0.669 0.000 0.898 813 Q HN 0.577 nan 8.270 nan 0.000 0.426 814 Y N 0.194 120.360 120.300 -0.223 0.000 2.165 814 Y HA -0.229 4.320 4.550 -0.001 0.000 0.286 814 Y C 2.653 178.568 175.900 0.026 0.000 1.155 814 Y CA 2.537 60.593 58.100 -0.074 0.000 1.164 814 Y CB -1.884 36.602 38.460 0.042 0.000 0.978 814 Y HN 0.605 nan 8.280 nan 0.000 0.513 815 T N -0.146 114.457 114.554 0.082 0.000 2.699 815 T HA 0.095 4.444 4.350 -0.001 0.000 0.268 815 T C 1.136 175.867 174.700 0.052 0.000 1.036 815 T CA 2.422 64.589 62.100 0.112 0.000 1.147 815 T CB -1.625 67.341 68.868 0.163 0.000 0.862 815 T HN 0.944 nan 8.240 nan 0.000 0.446 816 D N 0.000 120.398 120.400 -0.003 0.000 6.856 816 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 816 D CA 0.000 53.972 54.000 -0.047 0.000 0.868 816 D CB 0.000 40.745 40.800 -0.092 0.000 0.688 816 D HN 0.000 nan 8.370 nan 0.000 0.683