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 3fby_1_B DATA FIRST_RESID 223 DATA SEQUENCE NSAQRFcPDG SPSEcHEHAD cVLERDGSRS cVcAVGWAGN GILcGRDTDL DATA SEQUENCE DGFPDEKLRc PERQcRKDNc VTVPNSGQED VDRDGIGDAc DPDADGDGVP DATA SEQUENCE NEKDNcPLVR NPDQRNTDED KWGDAcDNcR SQKNDDQKDT DQDGRGDAcD DATA SEQUENCE DDIDGDRIRN QADNcPRVPN SDQKDSDGDG IGDAcDNcPQ KSNPDQADVD DATA SEQUENCE HDFVGDAcDS DQDQDGDGHQ DSRDNcPTVP NSAQEDSDHD GQGDAcDDDD DATA SEQUENCE DNDGVPDSRD NcRLVPNPGQ EDADRDGVGD VcQDDFDADK VVDKIDVcPE DATA SEQUENCE NAEVTLTDFR AFQTVVLDPE GDAQIDPNWV VLNQGREIVQ TMNSDPGLAV DATA SEQUENCE GYTAFNGVDF EGTFHVNTVT DDDYAGFIFG YQDSSSFYVV MWKQMEQTYW DATA SEQUENCE QANPFRAVAE PGIQLKAVKS STGPGEQLRN ALWHTGDTES QVRLLWKDPR DATA SEQUENCE NVGWKDKKSY RWFLQHRPQV GYIRVRFYEG PELVADSNVV LDTTMRGGRL DATA SEQUENCE GVFCFSQENI IWANLRYRcN DTIPEDYETH QLRQA 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 223 N HA 0.000 nan 4.740 nan 0.000 0.220 223 N C 0.000 175.491 175.510 -0.032 0.000 1.280 223 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 223 N CB 0.000 38.481 38.487 -0.009 0.000 1.341 224 S N -0.105 115.566 115.700 -0.048 0.000 2.565 224 S HA 0.764 5.209 4.470 -0.042 0.000 0.276 224 S C 0.672 175.211 174.600 -0.101 0.000 1.326 224 S CA 0.007 58.166 58.200 -0.070 0.000 1.045 224 S CB 1.574 64.720 63.200 -0.090 0.000 0.918 224 S HN 0.588 nan 8.310 nan 0.000 0.505 225 A N 2.811 125.573 122.820 -0.096 0.000 2.298 225 A HA 0.530 4.824 4.320 -0.042 0.000 0.302 225 A C 0.112 177.604 177.584 -0.153 0.000 1.177 225 A CA -0.953 51.016 52.037 -0.113 0.000 0.912 225 A CB 0.268 19.216 19.000 -0.087 0.000 1.331 225 A HN 0.913 nan 8.150 nan 0.000 0.504 226 Q N -0.218 119.477 119.800 -0.176 0.000 2.327 226 Q HA 0.437 4.751 4.340 -0.042 0.000 0.254 226 Q C -0.602 175.241 176.000 -0.261 0.000 0.952 226 Q CA -0.243 55.426 55.803 -0.223 0.000 0.884 226 Q CB 0.909 29.502 28.738 -0.241 0.000 1.224 226 Q HN 0.618 nan 8.270 nan 0.000 0.422 227 R N 0.740 121.089 120.500 -0.252 0.000 2.919 227 R HA 0.589 4.903 4.340 -0.042 0.000 0.260 227 R C -1.175 174.953 176.300 -0.286 0.000 1.067 227 R CA -0.732 55.238 56.100 -0.217 0.000 1.003 227 R CB 0.290 30.551 30.300 -0.065 0.000 1.192 227 R HN 0.310 nan 8.270 nan 0.000 0.488 228 F N -0.595 119.336 119.950 -0.032 0.000 2.378 228 F HA 0.436 4.938 4.527 -0.042 0.000 0.325 228 F C 0.567 176.353 175.800 -0.023 0.000 1.097 228 F CA -0.598 57.387 58.000 -0.026 0.000 1.079 228 F CB 0.898 39.886 39.000 -0.020 0.000 1.240 228 F HN 0.356 nan 8.300 nan 0.000 0.519 229 c N 2.358 121.065 118.600 0.178 0.000 2.649 229 c HA 0.107 4.651 4.570 -0.042 0.000 0.377 229 c C -0.810 173.332 174.090 0.086 0.000 1.321 229 c CA -0.513 55.873 56.329 0.095 0.000 2.368 229 c CB 0.391 42.941 42.510 0.068 0.000 2.597 229 c HN 0.618 nan 8.230 nan 0.000 0.678 230 P HA -0.066 nan 4.420 nan 0.000 0.225 230 P C 0.512 177.827 177.300 0.024 0.000 1.148 230 P CA 1.310 64.430 63.100 0.034 0.000 0.779 230 P CB -0.131 31.583 31.700 0.023 0.000 0.780 231 D N -2.024 118.393 120.400 0.029 0.000 2.388 231 D HA 0.150 4.765 4.640 -0.042 0.000 0.221 231 D C 1.267 177.574 176.300 0.012 0.000 1.133 231 D CA -0.006 54.003 54.000 0.016 0.000 0.831 231 D CB -0.802 40.009 40.800 0.017 0.000 0.962 231 D HN 0.157 nan 8.370 nan 0.000 0.502 232 G N 0.793 109.605 108.800 0.019 0.000 2.162 232 G HA2 -0.304 3.630 3.960 -0.042 0.000 0.260 232 G HA3 -0.304 3.630 3.960 -0.042 0.000 0.260 232 G C 0.381 175.316 174.900 0.059 0.000 0.976 232 G CA 0.511 45.590 45.100 -0.034 0.000 0.655 232 G HN 0.772 nan 8.290 nan 0.000 0.533 233 S N 0.649 116.429 115.700 0.133 0.000 2.601 233 S HA 0.697 5.141 4.470 -0.042 0.000 0.271 233 S C -2.039 172.745 174.600 0.307 0.000 1.305 233 S CA -1.294 57.012 58.200 0.177 0.000 1.022 233 S CB 2.292 65.546 63.200 0.091 0.000 0.940 233 S HN 0.245 nan 8.310 nan 0.000 0.525 234 P HA 0.122 nan 4.420 nan 0.000 0.271 234 P C -0.135 177.136 177.300 -0.049 0.000 1.220 234 P CA -0.062 63.040 63.100 0.003 0.000 0.768 234 P CB 0.684 32.349 31.700 -0.058 0.000 0.848 235 S N 2.273 117.900 115.700 -0.121 0.000 2.562 235 S HA 0.037 4.482 4.470 -0.042 0.000 0.281 235 S C 0.764 175.305 174.600 -0.098 0.000 1.333 235 S CA -0.097 58.052 58.200 -0.084 0.000 1.052 235 S CB -0.062 63.081 63.200 -0.096 0.000 0.884 235 S HN 0.387 nan 8.310 nan 0.000 0.506 236 E N 1.954 122.115 120.200 -0.065 0.000 2.558 236 E HA 0.216 4.540 4.350 -0.042 0.000 0.205 236 E C -0.277 176.288 176.600 -0.057 0.000 1.006 236 E CA -0.353 56.009 56.400 -0.063 0.000 0.961 236 E CB 0.397 30.073 29.700 -0.040 0.000 1.044 236 E HN 0.580 nan 8.360 nan 0.000 0.465 237 c N 0.719 119.281 118.600 -0.064 0.000 2.553 237 c HA 0.130 4.675 4.570 -0.042 0.000 0.345 237 c C 1.084 175.142 174.090 -0.052 0.000 1.369 237 c CA -0.654 55.650 56.329 -0.041 0.000 2.447 237 c CB 0.236 42.722 42.510 -0.040 0.000 2.358 237 c HN 0.479 nan 8.230 nan 0.000 0.676 238 H N 0.475 119.480 119.070 -0.108 0.000 2.730 238 H HA -0.002 4.529 4.556 -0.042 0.000 0.376 238 H C 1.058 176.253 175.328 -0.221 0.000 1.299 238 H CA 0.679 56.642 56.048 -0.142 0.000 1.447 238 H CB 0.419 30.108 29.762 -0.121 0.000 1.493 238 H HN 0.802 nan 8.280 nan 0.000 0.619 239 E N 0.328 119.930 120.200 -0.997 0.000 2.268 239 E HA -0.149 4.175 4.350 -0.042 0.000 0.195 239 E C 0.008 176.136 176.600 -0.786 0.000 0.995 239 E CA 0.695 56.596 56.400 -0.832 0.000 0.836 239 E CB 0.181 29.278 29.700 -1.004 0.000 0.763 239 E HN 0.533 nan 8.360 nan 0.000 0.491 240 H N -0.952 117.975 119.070 -0.238 0.000 2.587 240 H HA 0.466 4.997 4.556 -0.042 0.000 0.245 240 H C -0.631 174.562 175.328 -0.225 0.000 1.238 240 H CA 0.177 55.945 56.048 -0.467 0.000 0.963 240 H CB 0.758 29.628 29.762 -1.487 0.000 1.904 240 H HN 0.071 nan 8.280 nan 0.000 0.584 241 A N 0.299 123.099 122.820 -0.034 0.000 2.485 241 A HA 0.554 4.849 4.320 -0.042 0.000 0.292 241 A C -0.833 176.738 177.584 -0.021 0.000 1.147 241 A CA -0.741 51.297 52.037 0.001 0.000 0.750 241 A CB 2.049 21.066 19.000 0.027 0.000 1.331 241 A HN 0.122 nan 8.150 nan 0.000 0.419 242 D N -0.277 120.119 120.400 -0.008 0.000 2.457 242 D HA 0.365 4.980 4.640 -0.042 0.000 0.240 242 D C -1.191 175.104 176.300 -0.008 0.000 1.041 242 D CA 0.002 53.995 54.000 -0.012 0.000 0.861 242 D CB 1.981 42.779 40.800 -0.004 0.000 1.394 242 D HN 0.522 nan 8.370 nan 0.000 0.473 243 c N 2.729 121.324 118.600 -0.008 0.000 2.373 243 c HA 0.484 5.029 4.570 -0.042 0.000 0.354 243 c C -0.022 174.072 174.090 0.007 0.000 1.249 243 c CA -0.273 56.055 56.329 -0.001 0.000 1.784 243 c CB -0.732 41.778 42.510 0.000 0.000 2.408 243 c HN 0.335 nan 8.230 nan 0.000 0.542 244 V N 8.948 128.867 119.914 0.008 0.000 2.495 244 V HA 0.462 4.557 4.120 -0.042 0.000 0.298 244 V C -0.449 175.653 176.094 0.013 0.000 1.031 244 V CA -0.714 61.593 62.300 0.012 0.000 0.871 244 V CB 1.608 33.438 31.823 0.012 0.000 0.988 244 V HN 0.796 nan 8.190 nan 0.000 0.432 245 L N 5.230 126.462 121.223 0.015 0.000 2.416 245 L HA 0.433 4.748 4.340 -0.042 0.000 0.272 245 L C 0.617 177.496 176.870 0.016 0.000 1.161 245 L CA 0.417 55.266 54.840 0.016 0.000 0.845 245 L CB 1.032 43.100 42.059 0.016 0.000 1.119 245 L HN 0.705 nan 8.230 nan 0.000 0.464 246 E N 3.266 123.476 120.200 0.017 0.000 2.280 246 E HA 0.240 4.564 4.350 -0.042 0.000 0.264 246 E C 1.065 177.679 176.600 0.023 0.000 1.064 246 E CA -0.568 55.843 56.400 0.019 0.000 0.900 246 E CB 0.869 30.580 29.700 0.018 0.000 1.123 246 E HN 0.357 nan 8.360 nan 0.000 0.418 247 R N 1.012 121.528 120.500 0.027 0.000 2.222 247 R HA -0.245 4.070 4.340 -0.042 0.000 0.235 247 R C 1.472 177.792 176.300 0.035 0.000 1.112 247 R CA 2.554 58.674 56.100 0.034 0.000 0.897 247 R CB -0.491 29.837 30.300 0.048 0.000 0.882 247 R HN 0.645 nan 8.270 nan 0.000 0.429 248 D N -1.128 119.293 120.400 0.034 0.000 2.182 248 D HA -0.086 4.529 4.640 -0.042 0.000 0.201 248 D C 0.911 177.225 176.300 0.023 0.000 0.986 248 D CA 1.467 55.485 54.000 0.030 0.000 0.847 248 D CB -0.211 40.605 40.800 0.026 0.000 0.942 248 D HN 0.532 nan 8.370 nan 0.000 0.467 249 G N 0.134 108.946 108.800 0.020 0.000 2.978 249 G HA2 0.115 4.049 3.960 -0.042 0.000 0.193 249 G HA3 0.115 4.049 3.960 -0.042 0.000 0.193 249 G C -0.158 174.751 174.900 0.015 0.000 1.038 249 G CA 0.023 45.133 45.100 0.017 0.000 1.103 249 G HN 0.793 nan 8.290 nan 0.000 0.574 250 S N -0.306 115.403 115.700 0.015 0.000 2.819 250 S HA 0.920 5.365 4.470 -0.042 0.000 0.299 250 S C -0.632 173.976 174.600 0.013 0.000 1.192 250 S CA -1.243 56.965 58.200 0.013 0.000 0.847 250 S CB 1.992 65.199 63.200 0.012 0.000 1.224 250 S HN 0.679 nan 8.310 nan 0.000 0.537 251 R N 0.036 120.543 120.500 0.011 0.000 2.686 251 R HA 0.840 5.155 4.340 -0.042 0.000 0.286 251 R C -1.266 175.038 176.300 0.006 0.000 0.969 251 R CA -0.687 55.419 56.100 0.010 0.000 0.898 251 R CB 1.831 32.137 30.300 0.010 0.000 1.183 251 R HN 0.688 nan 8.270 nan 0.000 0.456 252 S N 0.483 116.186 115.700 0.005 0.000 2.546 252 S HA 0.416 4.860 4.470 -0.042 0.000 0.274 252 S C -0.877 173.723 174.600 -0.001 0.000 1.121 252 S CA -0.516 57.685 58.200 0.001 0.000 0.887 252 S CB 1.760 64.961 63.200 0.002 0.000 1.094 252 S HN 0.608 nan 8.310 nan 0.000 0.474 253 c N 2.551 121.148 118.600 -0.004 0.000 2.358 253 c HA 0.857 5.402 4.570 -0.042 0.000 0.342 253 c C -0.349 173.737 174.090 -0.006 0.000 1.234 253 c CA -0.410 55.916 56.329 -0.005 0.000 1.969 253 c CB 0.465 42.973 42.510 -0.004 0.000 2.346 253 c HN 0.631 nan 8.230 nan 0.000 0.525 254 V N 2.581 122.493 119.914 -0.003 0.000 2.567 254 V HA 0.219 4.313 4.120 -0.042 0.000 0.298 254 V C -0.202 175.897 176.094 0.009 0.000 1.047 254 V CA -0.618 61.680 62.300 -0.003 0.000 0.880 254 V CB 1.130 32.953 31.823 0.001 0.000 1.009 254 V HN 1.067 nan 8.190 nan 0.000 0.429 255 c N 4.684 123.291 118.600 0.011 0.000 2.592 255 c HA 0.451 4.996 4.570 -0.042 0.000 0.408 255 c C 1.411 175.553 174.090 0.086 0.000 1.436 255 c CA 0.017 56.378 56.329 0.052 0.000 1.595 255 c CB -0.843 41.705 42.510 0.063 0.000 2.487 255 c HN 0.999 nan 8.230 nan 0.000 0.610 256 A N 3.692 126.586 122.820 0.124 0.000 2.332 256 A HA 0.465 4.760 4.320 -0.042 0.000 0.258 256 A C 0.370 178.072 177.584 0.197 0.000 1.087 256 A CA -0.305 51.807 52.037 0.126 0.000 0.802 256 A CB 0.275 19.340 19.000 0.108 0.000 1.042 256 A HN 1.436 nan 8.150 nan 0.000 0.489 257 V N 2.101 122.047 119.914 0.054 0.000 2.539 257 V HA 0.404 4.498 4.120 -0.042 0.000 0.300 257 V C 1.175 177.304 176.094 0.058 0.000 1.019 257 V CA 1.999 64.295 62.300 -0.006 0.000 1.160 257 V CB -0.141 31.559 31.823 -0.204 0.000 0.901 257 V HN 2.366 nan 8.190 nan 0.000 0.481 258 G N 4.741 113.518 108.800 -0.038 0.000 2.316 258 G HA2 -0.180 3.755 3.960 -0.042 0.000 0.203 258 G HA3 -0.180 3.755 3.960 -0.042 0.000 0.203 258 G C -0.393 174.142 174.900 -0.609 0.000 0.999 258 G CA -0.019 44.905 45.100 -0.293 0.000 0.649 258 G HN 0.926 nan 8.290 nan 0.000 0.489 259 W N 0.590 121.853 121.300 -0.062 0.000 2.962 259 W HA 0.858 5.494 4.660 -0.041 0.000 0.341 259 W C 0.113 176.582 176.519 -0.084 0.000 1.155 259 W CA -0.264 57.036 57.345 -0.075 0.000 1.165 259 W CB 1.969 31.398 29.460 -0.053 0.000 1.435 259 W HN 0.703 nan 8.180 nan 0.000 0.546 260 A N 0.995 123.891 122.820 0.127 0.000 2.566 260 A HA 1.010 5.304 4.320 -0.042 0.000 0.292 260 A C -0.177 177.387 177.584 -0.034 0.000 1.112 260 A CA -0.231 51.803 52.037 -0.004 0.000 0.707 260 A CB 1.461 20.420 19.000 -0.067 0.000 1.302 260 A HN 1.706 nan 8.150 nan 0.000 0.409 261 G N 0.111 108.849 108.800 -0.103 0.000 2.331 261 G HA2 0.418 4.353 3.960 -0.042 0.000 0.402 261 G HA3 0.418 4.353 3.960 -0.042 0.000 0.402 261 G C -0.782 174.059 174.900 -0.098 0.000 1.275 261 G CA -0.220 44.819 45.100 -0.102 0.000 1.003 261 G HN 2.052 nan 8.290 nan 0.000 0.500 262 N N -0.332 118.322 118.700 -0.078 0.000 2.467 262 N HA 0.488 5.203 4.740 -0.042 0.000 0.262 262 N C 1.537 177.019 175.510 -0.046 0.000 1.234 262 N CA 0.718 53.733 53.050 -0.058 0.000 0.952 262 N CB 1.179 39.641 38.487 -0.042 0.000 1.158 262 N HN 1.310 nan 8.380 nan 0.000 0.463 263 G N -0.090 108.692 108.800 -0.030 0.000 2.586 263 G HA2 -0.126 3.809 3.960 -0.042 0.000 0.215 263 G HA3 -0.126 3.809 3.960 -0.042 0.000 0.215 263 G C 0.850 175.755 174.900 0.008 0.000 1.128 263 G CA 0.513 45.605 45.100 -0.014 0.000 0.774 263 G HN 0.586 nan 8.290 nan 0.000 0.543 264 I N -0.360 120.212 120.570 0.003 0.000 2.628 264 I HA 0.257 4.402 4.170 -0.042 0.000 0.255 264 I C 0.843 176.998 176.117 0.063 0.000 1.119 264 I CA 0.487 61.806 61.300 0.031 0.000 1.448 264 I CB 0.178 38.187 38.000 0.014 0.000 1.133 264 I HN -0.058 nan 8.210 nan 0.000 0.438 265 L N 0.678 121.888 121.223 -0.022 0.000 2.305 265 L HA 0.395 4.710 4.340 -0.042 0.000 0.284 265 L C -1.198 175.477 176.870 -0.326 0.000 1.013 265 L CA -0.453 54.318 54.840 -0.114 0.000 0.819 265 L CB 1.529 43.559 42.059 -0.048 0.000 1.227 265 L HN 0.111 nan 8.230 nan 0.000 0.417 266 c N 2.155 120.221 118.600 -0.891 0.000 2.529 266 c HA 0.928 5.473 4.570 -0.042 0.000 0.329 266 c C 0.650 174.581 174.090 -0.265 0.000 1.194 266 c CA -0.572 55.453 56.329 -0.508 0.000 1.779 266 c CB 1.547 43.821 42.510 -0.393 0.000 2.322 266 c HN 0.937 nan 8.230 nan 0.000 0.500 267 G N 0.731 109.595 108.800 0.107 0.000 2.642 267 G HA2 0.645 4.579 3.960 -0.042 0.000 0.293 267 G HA3 0.645 4.579 3.960 -0.042 0.000 0.293 267 G C -1.334 173.753 174.900 0.312 0.000 1.341 267 G CA -0.711 44.558 45.100 0.281 0.000 0.916 267 G HN 0.810 nan 8.290 nan 0.000 0.474 268 R N 0.388 120.900 120.500 0.021 0.000 2.522 268 R HA 0.128 4.443 4.340 -0.042 0.000 0.284 268 R C -0.969 175.146 176.300 -0.308 0.000 1.032 268 R CA -0.014 55.732 56.100 -0.590 0.000 1.049 268 R CB 0.468 30.380 30.300 -0.647 0.000 0.956 268 R HN 0.386 nan 8.270 nan 0.000 0.422 269 D N 2.958 123.145 120.400 -0.354 0.000 2.477 269 D HA 0.110 4.724 4.640 -0.042 0.000 0.239 269 D C 0.358 176.535 176.300 -0.205 0.000 1.102 269 D CA -0.210 53.677 54.000 -0.188 0.000 0.901 269 D CB 1.288 42.017 40.800 -0.119 0.000 1.026 269 D HN 0.489 nan 8.370 nan 0.000 0.515 270 T N 1.557 116.009 114.554 -0.171 0.000 2.622 270 T HA -0.191 4.134 4.350 -0.042 0.000 0.266 270 T C 1.074 175.709 174.700 -0.109 0.000 1.047 270 T CA 1.701 63.711 62.100 -0.151 0.000 1.159 270 T CB -0.032 68.764 68.868 -0.119 0.000 0.863 270 T HN 0.520 nan 8.240 nan 0.000 0.422 271 D N 1.508 121.860 120.400 -0.080 0.000 2.349 271 D HA 0.030 4.645 4.640 -0.042 0.000 0.224 271 D C 0.765 177.032 176.300 -0.055 0.000 1.029 271 D CA 0.045 54.010 54.000 -0.059 0.000 0.879 271 D CB -0.809 39.931 40.800 -0.099 0.000 0.906 271 D HN 0.465 nan 8.370 nan 0.000 0.528 272 L N 0.374 121.558 121.223 -0.065 0.000 3.730 272 L HA -0.203 4.112 4.340 -0.042 0.000 0.410 272 L C -0.340 176.497 176.870 -0.055 0.000 1.234 272 L CA 0.718 55.521 54.840 -0.062 0.000 0.911 272 L CB -1.626 40.407 42.059 -0.044 0.000 1.942 272 L HN 0.262 nan 8.230 nan 0.000 0.860 273 D N -0.949 119.437 120.400 -0.023 0.000 2.440 273 D HA 0.334 4.949 4.640 -0.042 0.000 0.216 273 D C 1.413 177.764 176.300 0.086 0.000 1.150 273 D CA 0.603 54.616 54.000 0.022 0.000 0.832 273 D CB 0.771 41.593 40.800 0.037 0.000 0.992 273 D HN 0.428 nan 8.370 nan 0.000 0.502 274 G N -0.324 108.470 108.800 -0.010 0.000 2.217 274 G HA2 -0.230 3.704 3.960 -0.042 0.000 0.246 274 G HA3 -0.230 3.704 3.960 -0.042 0.000 0.246 274 G C -0.136 174.568 174.900 -0.327 0.000 0.990 274 G CA -0.101 44.903 45.100 -0.161 0.000 0.627 274 G HN 0.321 nan 8.290 nan 0.000 0.522 275 F N 2.650 122.570 119.950 -0.051 0.000 2.482 275 F HA 0.569 5.072 4.527 -0.041 0.000 0.331 275 F C -1.816 173.955 175.800 -0.048 0.000 1.115 275 F CA -2.389 55.585 58.000 -0.042 0.000 0.955 275 F CB 2.370 41.346 39.000 -0.041 0.000 1.136 275 F HN -0.173 nan 8.300 nan 0.000 0.452 276 P HA 0.054 nan 4.420 nan 0.000 0.272 276 P C -0.271 177.052 177.300 0.038 0.000 1.223 276 P CA -0.129 62.996 63.100 0.042 0.000 0.784 276 P CB 1.098 32.821 31.700 0.037 0.000 0.923 277 D N -0.310 120.086 120.400 -0.007 0.000 2.350 277 D HA -0.037 4.577 4.640 -0.042 0.000 0.216 277 D C 0.408 176.708 176.300 0.000 0.000 0.968 277 D CA 1.646 55.637 54.000 -0.016 0.000 0.894 277 D CB 0.142 40.912 40.800 -0.049 0.000 0.909 277 D HN 0.423 nan 8.370 nan 0.000 0.520 278 E N -0.491 119.719 120.200 0.016 0.000 2.363 278 E HA 0.170 4.494 4.350 -0.042 0.000 0.281 278 E C -1.242 175.377 176.600 0.032 0.000 0.953 278 E CA -0.716 55.696 56.400 0.021 0.000 0.778 278 E CB 1.482 31.195 29.700 0.020 0.000 1.220 278 E HN -0.220 nan 8.360 nan 0.000 0.431 279 K N 3.213 123.631 120.400 0.031 0.000 2.412 279 K HA 0.191 4.486 4.320 -0.042 0.000 0.281 279 K C -0.672 175.946 176.600 0.030 0.000 1.027 279 K CA -0.305 56.003 56.287 0.034 0.000 0.989 279 K CB 0.330 32.848 32.500 0.029 0.000 0.935 279 K HN 0.288 nan 8.250 nan 0.000 0.475 280 L N 4.328 125.566 121.223 0.026 0.000 2.360 280 L HA 0.364 4.678 4.340 -0.042 0.000 0.271 280 L C 0.178 177.057 176.870 0.016 0.000 1.057 280 L CA -0.341 54.508 54.840 0.015 0.000 0.803 280 L CB 1.382 43.439 42.059 -0.003 0.000 1.207 280 L HN 0.614 nan 8.230 nan 0.000 0.445 281 R N 1.344 121.852 120.500 0.014 0.000 2.391 281 R HA 0.634 4.949 4.340 -0.042 0.000 0.310 281 R C -1.025 175.281 176.300 0.009 0.000 1.174 281 R CA -0.428 55.681 56.100 0.014 0.000 1.118 281 R CB -0.215 30.095 30.300 0.015 0.000 1.134 281 R HN 0.621 nan 8.270 nan 0.000 0.524 282 c N 0.079 118.684 118.600 0.008 0.000 3.275 282 c HA 0.401 4.946 4.570 -0.042 0.000 0.345 282 c C -1.998 172.096 174.090 0.007 0.000 1.257 282 c CA -1.426 54.906 56.329 0.004 0.000 1.203 282 c CB 1.710 44.218 42.510 -0.003 0.000 1.492 282 c HN 0.464 nan 8.230 nan 0.000 0.484 283 P HA -0.058 nan 4.420 nan 0.000 0.212 283 P C 0.286 177.594 177.300 0.013 0.000 1.180 283 P CA 1.530 64.636 63.100 0.011 0.000 0.902 283 P CB -0.248 31.456 31.700 0.008 0.000 0.778 284 E N 1.277 121.478 120.200 0.003 0.000 2.537 284 E HA -0.152 4.172 4.350 -0.042 0.000 0.269 284 E C 1.253 177.858 176.600 0.009 0.000 1.038 284 E CA 0.361 56.759 56.400 -0.002 0.000 0.977 284 E CB 0.339 30.024 29.700 -0.025 0.000 0.973 284 E HN 0.247 nan 8.360 nan 0.000 0.456 285 R N 1.787 122.305 120.500 0.029 0.000 2.080 285 R HA -0.196 4.119 4.340 -0.042 0.000 0.236 285 R C 1.908 178.274 176.300 0.109 0.000 1.137 285 R CA 1.751 57.925 56.100 0.124 0.000 0.943 285 R CB -0.643 29.791 30.300 0.223 0.000 0.846 285 R HN 0.650 nan 8.270 nan 0.000 0.431 286 Q N 1.214 120.922 119.800 -0.153 0.000 2.518 286 Q HA -0.041 4.274 4.340 -0.042 0.000 0.217 286 Q C 1.030 176.936 176.000 -0.156 0.000 0.974 286 Q CA 0.738 56.264 55.803 -0.463 0.000 0.971 286 Q CB -0.438 27.830 28.738 -0.783 0.000 0.988 286 Q HN 0.338 nan 8.270 nan 0.000 0.536 287 c N 1.074 119.657 118.600 -0.029 0.000 2.696 287 c HA 0.183 4.728 4.570 -0.042 0.000 0.264 287 c C 1.168 175.291 174.090 0.054 0.000 1.288 287 c CA -0.296 56.034 56.329 0.002 0.000 1.717 287 c CB -0.603 41.908 42.510 0.002 0.000 1.893 287 c HN 0.555 nan 8.230 nan 0.000 0.577 288 R N 0.815 121.388 120.500 0.122 0.000 2.720 288 R HA 0.507 4.822 4.340 -0.042 0.000 0.272 288 R C -0.410 175.980 176.300 0.150 0.000 0.991 288 R CA -0.676 55.495 56.100 0.118 0.000 1.010 288 R CB 0.984 31.344 30.300 0.101 0.000 1.141 288 R HN 0.016 nan 8.270 nan 0.000 0.494 289 K N 1.367 121.816 120.400 0.081 0.000 2.489 289 K HA -0.088 4.206 4.320 -0.042 0.000 0.278 289 K C -0.272 176.355 176.600 0.045 0.000 1.000 289 K CA 0.115 56.438 56.287 0.060 0.000 1.012 289 K CB 0.457 32.971 32.500 0.023 0.000 0.903 289 K HN 0.548 nan 8.250 nan 0.000 0.485 290 D N 2.824 123.257 120.400 0.056 0.000 2.472 290 D HA -0.086 4.529 4.640 -0.042 0.000 0.248 290 D C 0.470 176.729 176.300 -0.068 0.000 1.174 290 D CA 0.170 54.163 54.000 -0.013 0.000 0.883 290 D CB 0.566 41.380 40.800 0.023 0.000 1.149 290 D HN 0.608 nan 8.370 nan 0.000 0.488 291 N N 2.147 120.768 118.700 -0.132 0.000 2.461 291 N HA -0.054 4.661 4.740 -0.042 0.000 0.188 291 N C -0.210 175.246 175.510 -0.090 0.000 1.134 291 N CA -0.070 52.918 53.050 -0.104 0.000 0.878 291 N CB 0.037 38.453 38.487 -0.117 0.000 0.972 291 N HN 0.088 nan 8.380 nan 0.000 0.456 292 c N 0.833 119.375 118.600 -0.097 0.000 3.188 292 c HA 0.352 4.897 4.570 -0.042 0.000 0.230 292 c C 1.661 175.707 174.090 -0.074 0.000 1.239 292 c CA -0.924 55.356 56.329 -0.081 0.000 1.494 292 c CB -0.648 41.807 42.510 -0.093 0.000 1.798 292 c HN 0.179 nan 8.230 nan 0.000 0.458 293 V N 2.436 122.316 119.914 -0.056 0.000 2.277 293 V HA -0.255 3.839 4.120 -0.042 0.000 0.253 293 V C 2.563 178.623 176.094 -0.057 0.000 1.067 293 V CA 3.041 65.312 62.300 -0.048 0.000 1.047 293 V CB -0.491 31.308 31.823 -0.039 0.000 0.649 293 V HN 0.895 nan 8.190 nan 0.000 0.447 294 T N -3.053 111.467 114.554 -0.057 0.000 3.022 294 T HA 0.167 4.491 4.350 -0.042 0.000 0.250 294 T C 0.331 174.977 174.700 -0.089 0.000 1.060 294 T CA 0.113 62.183 62.100 -0.050 0.000 1.013 294 T CB 0.153 69.007 68.868 -0.022 0.000 0.982 294 T HN 0.182 nan 8.240 nan 0.000 0.508 295 V N 4.197 124.026 119.914 -0.141 0.000 2.333 295 V HA 0.416 4.511 4.120 -0.042 0.000 0.274 295 V C -2.459 173.465 176.094 -0.283 0.000 1.028 295 V CA -2.702 59.441 62.300 -0.262 0.000 0.851 295 V CB 0.819 32.540 31.823 -0.170 0.000 1.000 295 V HN 0.219 nan 8.190 nan 0.000 0.456 296 P HA 0.033 nan 4.420 nan 0.000 0.257 296 P C -0.590 176.613 177.300 -0.163 0.000 1.189 296 P CA 0.391 63.341 63.100 -0.249 0.000 0.780 296 P CB 0.138 31.672 31.700 -0.277 0.000 0.772 297 N N 1.674 120.309 118.700 -0.108 0.000 2.746 297 N HA 0.046 4.760 4.740 -0.042 0.000 0.250 297 N C 0.570 176.042 175.510 -0.064 0.000 1.146 297 N CA -0.790 52.209 53.050 -0.085 0.000 0.828 297 N CB 0.434 38.858 38.487 -0.104 0.000 1.158 297 N HN 0.139 nan 8.380 nan 0.000 0.519 298 S N -0.074 115.629 115.700 0.006 0.000 2.474 298 S HA -0.009 4.436 4.470 -0.042 0.000 0.235 298 S C 1.586 176.243 174.600 0.095 0.000 0.997 298 S CA 0.746 59.007 58.200 0.102 0.000 0.949 298 S CB -0.413 62.843 63.200 0.092 0.000 0.766 298 S HN 0.514 nan 8.310 nan 0.000 0.517 299 G N 0.270 109.075 108.800 0.008 0.000 2.813 299 G HA2 0.086 4.020 3.960 -0.042 0.000 0.209 299 G HA3 0.086 4.020 3.960 -0.042 0.000 0.209 299 G C 0.556 175.384 174.900 -0.119 0.000 1.150 299 G CA -0.089 45.004 45.100 -0.010 0.000 0.785 299 G HN 0.437 nan 8.290 nan 0.000 0.535 300 Q N -0.127 119.529 119.800 -0.240 0.000 2.405 300 Q HA -0.214 4.101 4.340 -0.042 0.000 0.265 300 Q C -0.367 175.521 176.000 -0.187 0.000 1.096 300 Q CA 1.095 56.698 55.803 -0.332 0.000 0.982 300 Q CB -1.520 26.823 28.738 -0.659 0.000 1.426 300 Q HN 0.668 nan 8.270 nan 0.000 0.527 301 E N 1.306 121.442 120.200 -0.108 0.000 2.529 301 E HA 0.075 4.400 4.350 -0.042 0.000 0.259 301 E C 0.085 176.649 176.600 -0.061 0.000 0.966 301 E CA 0.536 56.898 56.400 -0.064 0.000 0.937 301 E CB 0.350 30.031 29.700 -0.031 0.000 0.923 301 E HN 0.083 nan 8.360 nan 0.000 0.468 302 D N 3.383 123.753 120.400 -0.049 0.000 2.363 302 D HA 0.117 4.732 4.640 -0.042 0.000 0.258 302 D C 0.161 176.447 176.300 -0.023 0.000 1.259 302 D CA -0.378 53.598 54.000 -0.041 0.000 0.921 302 D CB 0.534 41.303 40.800 -0.051 0.000 1.201 302 D HN 0.193 nan 8.370 nan 0.000 0.524 303 V N 2.058 121.964 119.914 -0.013 0.000 2.261 303 V HA -0.176 3.919 4.120 -0.042 0.000 0.246 303 V C 1.678 177.770 176.094 -0.003 0.000 1.047 303 V CA 2.092 64.390 62.300 -0.004 0.000 1.015 303 V CB -0.409 31.417 31.823 0.005 0.000 0.642 303 V HN 0.630 nan 8.190 nan 0.000 0.446 304 D N 1.415 121.813 120.400 -0.003 0.000 2.344 304 D HA -0.113 4.502 4.640 -0.042 0.000 0.242 304 D C 0.996 177.292 176.300 -0.007 0.000 1.159 304 D CA -0.276 53.723 54.000 -0.002 0.000 0.859 304 D CB -0.880 39.920 40.800 -0.001 0.000 0.925 304 D HN 0.603 nan 8.370 nan 0.000 0.510 305 R N 0.718 121.212 120.500 -0.011 0.000 2.841 305 R HA -0.234 4.080 4.340 -0.042 0.000 0.224 305 R C -0.650 175.642 176.300 -0.014 0.000 0.809 305 R CA 1.166 57.258 56.100 -0.015 0.000 0.547 305 R CB -2.525 27.768 30.300 -0.012 0.000 1.099 305 R HN 0.351 nan 8.270 nan 0.000 0.503 306 D N -0.940 119.451 120.400 -0.015 0.000 2.328 306 D HA 0.133 4.748 4.640 -0.042 0.000 0.221 306 D C 1.390 177.679 176.300 -0.019 0.000 1.072 306 D CA 0.400 54.392 54.000 -0.014 0.000 0.850 306 D CB 0.184 40.977 40.800 -0.011 0.000 0.922 306 D HN 0.561 nan 8.370 nan 0.000 0.516 307 G N 0.381 109.166 108.800 -0.025 0.000 2.284 307 G HA2 -0.280 3.655 3.960 -0.042 0.000 0.247 307 G HA3 -0.280 3.655 3.960 -0.042 0.000 0.247 307 G C 0.243 175.121 174.900 -0.037 0.000 1.012 307 G CA 0.230 45.312 45.100 -0.031 0.000 0.618 307 G HN 0.443 nan 8.290 nan 0.000 0.521 308 I N 2.475 123.025 120.570 -0.033 0.000 2.395 308 I HA 0.490 4.634 4.170 -0.042 0.000 0.289 308 I C 1.448 177.538 176.117 -0.045 0.000 1.023 308 I CA -0.189 61.089 61.300 -0.037 0.000 1.350 308 I CB 1.080 39.063 38.000 -0.028 0.000 1.409 308 I HN 0.188 nan 8.210 nan 0.000 0.507 309 G N 3.555 112.319 108.800 -0.059 0.000 2.594 309 G HA2 0.013 3.947 3.960 -0.042 0.000 0.243 309 G HA3 0.013 3.947 3.960 -0.042 0.000 0.243 309 G C 0.531 175.401 174.900 -0.049 0.000 1.229 309 G CA -0.319 44.739 45.100 -0.070 0.000 0.843 309 G HN 0.680 nan 8.290 nan 0.000 0.578 310 D N 1.299 121.674 120.400 -0.042 0.000 2.123 310 D HA -0.173 4.442 4.640 -0.042 0.000 0.196 310 D C 2.697 178.984 176.300 -0.021 0.000 0.992 310 D CA 1.637 55.625 54.000 -0.021 0.000 0.833 310 D CB -0.352 40.443 40.800 -0.010 0.000 0.954 310 D HN 0.443 nan 8.370 nan 0.000 0.455 311 A N 0.233 123.033 122.820 -0.035 0.000 2.139 311 A HA -0.168 4.126 4.320 -0.042 0.000 0.221 311 A C 1.934 179.495 177.584 -0.038 0.000 1.159 311 A CA 1.764 53.778 52.037 -0.039 0.000 0.662 311 A CB -0.485 18.476 19.000 -0.064 0.000 0.796 311 A HN 0.529 nan 8.150 nan 0.000 0.463 312 c N -3.067 115.511 118.600 -0.036 0.000 3.823 312 c HA 0.368 4.913 4.570 -0.042 0.000 0.312 312 c C -0.393 173.681 174.090 -0.025 0.000 2.628 312 c CA -0.647 55.663 56.329 -0.032 0.000 1.581 312 c CB -1.164 41.321 42.510 -0.041 0.000 3.295 312 c HN 0.372 nan 8.230 nan 0.000 0.382 313 D N 3.033 123.420 120.400 -0.021 0.000 2.316 313 D HA 0.327 4.942 4.640 -0.042 0.000 0.245 313 D C -0.644 175.651 176.300 -0.009 0.000 1.171 313 D CA -1.751 52.240 54.000 -0.016 0.000 0.856 313 D CB 1.934 42.725 40.800 -0.015 0.000 1.090 313 D HN 0.240 nan 8.370 nan 0.000 0.476 314 P HA -0.143 nan 4.420 nan 0.000 0.217 314 P C 0.106 177.405 177.300 -0.002 0.000 1.148 314 P CA 1.043 64.139 63.100 -0.006 0.000 0.828 314 P CB 0.410 32.106 31.700 -0.007 0.000 0.783 315 D N -1.389 119.010 120.400 -0.001 0.000 2.517 315 D HA 0.419 5.033 4.640 -0.042 0.000 0.301 315 D C 1.229 177.532 176.300 0.005 0.000 1.202 315 D CA -0.597 53.405 54.000 0.003 0.000 0.910 315 D CB 0.154 40.955 40.800 0.002 0.000 1.021 315 D HN -0.132 nan 8.370 nan 0.000 0.499 316 A N 2.414 125.239 122.820 0.008 0.000 1.971 316 A HA -0.248 4.047 4.320 -0.042 0.000 0.222 316 A C 1.600 179.189 177.584 0.009 0.000 1.182 316 A CA 2.362 54.404 52.037 0.008 0.000 0.649 316 A CB -0.155 18.855 19.000 0.017 0.000 0.818 316 A HN 0.564 nan 8.150 nan 0.000 0.458 317 D N -3.985 116.423 120.400 0.015 0.000 2.441 317 D HA 0.320 4.935 4.640 -0.042 0.000 0.210 317 D C 1.017 177.324 176.300 0.012 0.000 1.102 317 D CA 0.849 54.858 54.000 0.015 0.000 0.840 317 D CB -0.643 40.172 40.800 0.025 0.000 0.990 317 D HN 1.032 nan 8.370 nan 0.000 0.505 318 G N 1.976 110.781 108.800 0.009 0.000 2.225 318 G HA2 -0.255 3.680 3.960 -0.042 0.000 0.264 318 G HA3 -0.255 3.680 3.960 -0.042 0.000 0.264 318 G C 0.217 175.122 174.900 0.008 0.000 1.060 318 G CA 0.406 45.510 45.100 0.006 0.000 0.833 318 G HN 0.535 nan 8.290 nan 0.000 0.498 319 D N -0.935 119.472 120.400 0.011 0.000 2.342 319 D HA 0.379 4.993 4.640 -0.042 0.000 0.221 319 D C 1.839 178.145 176.300 0.009 0.000 1.101 319 D CA 0.331 54.338 54.000 0.012 0.000 0.837 319 D CB -0.424 40.387 40.800 0.017 0.000 0.938 319 D HN 1.471 nan 8.370 nan 0.000 0.508 320 G N -0.255 108.549 108.800 0.007 0.000 2.245 320 G HA2 -0.297 3.638 3.960 -0.042 0.000 0.264 320 G HA3 -0.297 3.638 3.960 -0.042 0.000 0.264 320 G C 0.237 175.139 174.900 0.004 0.000 0.985 320 G CA 0.434 45.537 45.100 0.005 0.000 0.625 320 G HN 0.419 nan 8.290 nan 0.000 0.536 321 V N 2.708 122.626 119.914 0.007 0.000 2.385 321 V HA 0.400 4.495 4.120 -0.042 0.000 0.269 321 V C -1.535 174.563 176.094 0.006 0.000 1.043 321 V CA -1.575 60.728 62.300 0.006 0.000 0.906 321 V CB 1.272 33.100 31.823 0.009 0.000 0.995 321 V HN 0.075 nan 8.190 nan 0.000 0.467 322 P HA 0.040 nan 4.420 nan 0.000 0.264 322 P C 0.717 178.017 177.300 0.001 0.000 1.179 322 P CA 0.255 63.355 63.100 -0.000 0.000 0.763 322 P CB 0.502 32.200 31.700 -0.004 0.000 0.806 323 N N 2.888 121.590 118.700 0.003 0.000 2.027 323 N HA -0.221 4.493 4.740 -0.042 0.000 0.200 323 N C 1.189 176.697 175.510 -0.002 0.000 1.042 323 N CA 1.827 54.881 53.050 0.008 0.000 0.871 323 N CB -0.661 37.832 38.487 0.010 0.000 1.063 323 N HN 0.560 nan 8.380 nan 0.000 0.438 324 E N 0.605 120.799 120.200 -0.010 0.000 2.515 324 E HA -0.024 4.300 4.350 -0.042 0.000 0.201 324 E C 0.532 177.114 176.600 -0.030 0.000 1.071 324 E CA 0.862 57.249 56.400 -0.022 0.000 0.880 324 E CB -0.156 29.531 29.700 -0.021 0.000 0.828 324 E HN 0.297 nan 8.360 nan 0.000 0.540 325 K N 0.510 120.897 120.400 -0.022 0.000 2.478 325 K HA 0.118 4.413 4.320 -0.042 0.000 0.205 325 K C -0.419 176.169 176.600 -0.020 0.000 1.033 325 K CA -0.111 56.162 56.287 -0.024 0.000 1.091 325 K CB 0.668 33.158 32.500 -0.017 0.000 0.844 325 K HN 0.017 nan 8.250 nan 0.000 0.507 326 D N 1.573 121.964 120.400 -0.016 0.000 2.440 326 D HA 0.053 4.668 4.640 -0.042 0.000 0.239 326 D C 0.528 176.828 176.300 -0.001 0.000 1.084 326 D CA -0.377 53.624 54.000 0.002 0.000 0.843 326 D CB 0.873 41.684 40.800 0.018 0.000 1.097 326 D HN -0.006 nan 8.370 nan 0.000 0.531 327 N N 2.014 120.714 118.700 -0.001 0.000 2.571 327 N HA -0.045 4.669 4.740 -0.042 0.000 0.189 327 N C -0.199 175.386 175.510 0.125 0.000 1.154 327 N CA 0.011 53.056 53.050 -0.008 0.000 0.907 327 N CB -0.220 38.257 38.487 -0.018 0.000 0.977 327 N HN 0.120 nan 8.380 nan 0.000 0.449 328 c N 0.666 119.349 118.600 0.137 0.000 3.418 328 c HA 0.344 4.889 4.570 -0.042 0.000 0.238 328 c C -1.840 172.333 174.090 0.139 0.000 1.205 328 c CA -0.956 55.494 56.329 0.200 0.000 1.376 328 c CB 1.329 43.931 42.510 0.152 0.000 1.826 328 c HN 0.160 nan 8.230 nan 0.000 0.513 329 P HA 0.015 nan 4.420 nan 0.000 0.223 329 P C 0.942 178.293 177.300 0.084 0.000 1.151 329 P CA 1.190 64.349 63.100 0.097 0.000 0.787 329 P CB 0.233 31.993 31.700 0.101 0.000 0.788 330 L N -1.414 119.869 121.223 0.100 0.000 2.693 330 L HA 0.205 4.520 4.340 -0.042 0.000 0.235 330 L C 0.554 177.453 176.870 0.049 0.000 1.127 330 L CA -0.261 54.618 54.840 0.065 0.000 0.914 330 L CB 0.659 42.754 42.059 0.059 0.000 1.193 330 L HN -0.157 nan 8.230 nan 0.000 0.502 331 V N -1.206 118.743 119.914 0.058 0.000 2.686 331 V HA 0.477 4.572 4.120 -0.042 0.000 0.306 331 V C -0.358 175.762 176.094 0.043 0.000 1.065 331 V CA -0.845 61.481 62.300 0.043 0.000 0.894 331 V CB 1.847 33.692 31.823 0.038 0.000 1.004 331 V HN 0.219 nan 8.190 nan 0.000 0.424 332 R N 4.771 125.290 120.500 0.031 0.000 2.537 332 R HA 0.389 4.703 4.340 -0.042 0.000 0.280 332 R C -0.458 175.860 176.300 0.030 0.000 1.058 332 R CA 0.183 56.300 56.100 0.028 0.000 1.057 332 R CB 0.079 30.391 30.300 0.020 0.000 0.973 332 R HN 0.986 nan 8.270 nan 0.000 0.438 333 N N 1.724 120.442 118.700 0.030 0.000 2.926 333 N HA 0.064 4.778 4.740 -0.042 0.000 0.201 333 N C -2.839 172.687 175.510 0.025 0.000 1.419 333 N CA -1.288 51.780 53.050 0.031 0.000 0.838 333 N CB 1.071 39.584 38.487 0.042 0.000 1.534 333 N HN 0.159 nan 8.380 nan 0.000 0.569 334 P HA -0.109 nan 4.420 nan 0.000 0.217 334 P C 1.242 178.551 177.300 0.014 0.000 1.150 334 P CA 1.233 64.342 63.100 0.015 0.000 0.832 334 P CB 0.201 31.908 31.700 0.012 0.000 0.787 335 D N 0.189 120.598 120.400 0.015 0.000 2.191 335 D HA -0.282 4.333 4.640 -0.042 0.000 0.195 335 D C 0.584 176.893 176.300 0.016 0.000 1.003 335 D CA 1.069 55.078 54.000 0.015 0.000 0.867 335 D CB -1.091 39.719 40.800 0.016 0.000 0.926 335 D HN 0.164 nan 8.370 nan 0.000 0.450 336 Q N -0.048 119.764 119.800 0.021 0.000 2.450 336 Q HA -0.241 4.073 4.340 -0.042 0.000 0.255 336 Q C 0.227 176.241 176.000 0.023 0.000 1.003 336 Q CA 0.801 56.618 55.803 0.022 0.000 1.097 336 Q CB -1.748 26.998 28.738 0.013 0.000 1.544 336 Q HN 0.620 nan 8.270 nan 0.000 0.531 337 R N 1.549 122.064 120.500 0.026 0.000 2.697 337 R HA 0.095 4.410 4.340 -0.042 0.000 0.265 337 R C 0.054 176.375 176.300 0.035 0.000 1.009 337 R CA 0.699 56.815 56.100 0.026 0.000 1.099 337 R CB 0.354 30.669 30.300 0.025 0.000 0.965 337 R HN 0.160 nan 8.270 nan 0.000 0.428 338 N N 1.661 120.380 118.700 0.032 0.000 2.969 338 N HA -0.020 4.695 4.740 -0.042 0.000 0.230 338 N C 0.053 175.584 175.510 0.034 0.000 1.397 338 N CA 0.012 53.086 53.050 0.040 0.000 0.762 338 N CB 0.889 39.396 38.487 0.032 0.000 1.495 338 N HN 0.646 nan 8.380 nan 0.000 0.583 339 T N -1.627 112.949 114.554 0.037 0.000 2.904 339 T HA -0.099 4.225 4.350 -0.042 0.000 0.267 339 T C 0.938 175.656 174.700 0.029 0.000 1.059 339 T CA 1.496 63.614 62.100 0.029 0.000 1.137 339 T CB -0.146 68.738 68.868 0.027 0.000 0.879 339 T HN 0.397 nan 8.240 nan 0.000 0.467 340 D N 1.216 121.639 120.400 0.038 0.000 2.339 340 D HA 0.018 4.633 4.640 -0.042 0.000 0.217 340 D C 0.617 176.935 176.300 0.031 0.000 1.050 340 D CA 0.065 54.087 54.000 0.037 0.000 0.856 340 D CB -0.649 40.179 40.800 0.048 0.000 0.922 340 D HN 0.664 nan 8.370 nan 0.000 0.518 341 E N 0.478 120.694 120.200 0.027 0.000 2.791 341 E HA -0.183 4.142 4.350 -0.042 0.000 0.271 341 E C -0.544 176.057 176.600 0.001 0.000 1.044 341 E CA 0.935 57.341 56.400 0.010 0.000 0.814 341 E CB -1.437 28.265 29.700 0.004 0.000 1.400 341 E HN 0.682 nan 8.360 nan 0.000 0.423 342 D N 0.208 120.619 120.400 0.019 0.000 2.440 342 D HA 0.135 4.750 4.640 -0.042 0.000 0.269 342 D C 0.997 177.236 176.300 -0.101 0.000 1.249 342 D CA -0.389 53.609 54.000 -0.003 0.000 1.055 342 D CB 0.464 41.308 40.800 0.073 0.000 1.104 342 D HN -0.098 nan 8.370 nan 0.000 0.561 343 K N -1.284 118.961 120.400 -0.260 0.000 2.160 343 K HA -0.096 4.198 4.320 -0.042 0.000 0.206 343 K C 0.033 176.223 176.600 -0.682 0.000 1.047 343 K CA 1.090 57.013 56.287 -0.606 0.000 0.930 343 K CB -0.173 31.721 32.500 -1.010 0.000 0.720 343 K HN 0.435 nan 8.250 nan 0.000 0.450 344 W N 1.191 122.502 121.300 0.018 0.000 2.391 344 W HA 0.367 5.025 4.660 -0.004 0.000 0.311 344 W C 0.685 177.213 176.519 0.016 0.000 1.087 344 W CA -1.159 56.197 57.345 0.018 0.000 1.209 344 W CB 0.785 30.259 29.460 0.022 0.000 1.273 344 W HN -0.031 nan 8.180 nan 0.000 0.482 345 G N 1.671 110.603 108.800 0.221 0.000 2.664 345 G HA2 -0.083 3.852 3.960 -0.042 0.000 0.242 345 G HA3 -0.083 3.852 3.960 -0.042 0.000 0.242 345 G C 0.468 175.456 174.900 0.147 0.000 1.225 345 G CA -0.287 44.898 45.100 0.140 0.000 0.849 345 G HN 0.551 nan 8.290 nan 0.000 0.581 346 D N 0.807 121.264 120.400 0.094 0.000 2.218 346 D HA -0.093 4.521 4.640 -0.042 0.000 0.204 346 D C 2.523 178.862 176.300 0.066 0.000 0.976 346 D CA 1.301 55.346 54.000 0.074 0.000 0.853 346 D CB -0.160 40.672 40.800 0.052 0.000 0.939 346 D HN 0.423 nan 8.370 nan 0.000 0.481 347 A N -0.033 122.829 122.820 0.069 0.000 2.248 347 A HA 0.018 4.313 4.320 -0.042 0.000 0.210 347 A C 1.456 179.071 177.584 0.053 0.000 1.174 347 A CA 1.039 53.109 52.037 0.055 0.000 0.750 347 A CB -0.598 18.435 19.000 0.055 0.000 0.780 347 A HN 0.483 nan 8.150 nan 0.000 0.478 348 c N -2.999 115.640 118.600 0.064 0.000 4.005 348 c HA 0.270 4.815 4.570 -0.042 0.000 0.365 348 c C -0.679 173.406 174.090 -0.009 0.000 2.952 348 c CA -0.685 55.658 56.329 0.024 0.000 1.581 348 c CB -1.238 41.298 42.510 0.044 0.000 2.863 348 c HN 0.351 nan 8.230 nan 0.000 0.340 349 D N 2.971 123.396 120.400 0.042 0.000 2.373 349 D HA 0.238 4.852 4.640 -0.042 0.000 0.227 349 D C 0.868 177.166 176.300 -0.003 0.000 1.091 349 D CA 0.127 54.152 54.000 0.041 0.000 0.840 349 D CB 0.996 41.876 40.800 0.133 0.000 1.060 349 D HN 0.578 nan 8.370 nan 0.000 0.502 350 N N 2.480 121.147 118.700 -0.055 0.000 2.601 350 N HA -0.079 4.636 4.740 -0.042 0.000 0.201 350 N C -0.413 175.092 175.510 -0.008 0.000 1.355 350 N CA -0.125 52.902 53.050 -0.038 0.000 0.880 350 N CB -0.529 37.921 38.487 -0.063 0.000 1.071 350 N HN 0.133 nan 8.380 nan 0.000 0.454 351 c N 0.314 118.924 118.600 0.015 0.000 2.777 351 c HA 0.301 4.845 4.570 -0.042 0.000 0.229 351 c C 1.438 175.555 174.090 0.045 0.000 1.210 351 c CA -0.890 55.456 56.329 0.029 0.000 0.959 351 c CB -0.725 41.805 42.510 0.034 0.000 1.835 351 c HN 0.414 nan 8.230 nan 0.000 0.690 352 R N 0.607 121.132 120.500 0.041 0.000 2.174 352 R HA -0.156 4.158 4.340 -0.042 0.000 0.253 352 R C 1.364 177.693 176.300 0.048 0.000 1.165 352 R CA 1.921 58.050 56.100 0.049 0.000 0.984 352 R CB -0.056 30.267 30.300 0.038 0.000 0.873 352 R HN 0.569 nan 8.270 nan 0.000 0.456 353 S N -0.753 114.971 115.700 0.040 0.000 2.650 353 S HA 0.091 4.536 4.470 -0.042 0.000 0.240 353 S C -0.334 174.287 174.600 0.036 0.000 1.007 353 S CA -0.451 57.770 58.200 0.035 0.000 0.984 353 S CB 0.922 64.138 63.200 0.027 0.000 0.910 353 S HN 0.101 nan 8.310 nan 0.000 0.509 354 Q N 2.236 122.062 119.800 0.043 0.000 2.275 354 Q HA 0.297 4.611 4.340 -0.042 0.000 0.258 354 Q C -1.451 174.584 176.000 0.058 0.000 0.960 354 Q CA -0.326 55.503 55.803 0.043 0.000 0.801 354 Q CB 0.799 29.559 28.738 0.037 0.000 1.302 354 Q HN 0.011 nan 8.270 nan 0.000 0.433 355 K N 3.516 123.951 120.400 0.058 0.000 2.466 355 K HA 0.109 4.404 4.320 -0.042 0.000 0.278 355 K C -0.338 176.314 176.600 0.085 0.000 1.048 355 K CA 0.435 56.766 56.287 0.073 0.000 1.088 355 K CB 0.085 32.618 32.500 0.056 0.000 0.884 355 K HN 0.719 nan 8.250 nan 0.000 0.478 356 N N 3.074 121.848 118.700 0.124 0.000 2.751 356 N HA 0.040 4.755 4.740 -0.042 0.000 0.234 356 N C -0.557 175.080 175.510 0.211 0.000 1.403 356 N CA -0.446 52.681 53.050 0.128 0.000 0.747 356 N CB 0.562 39.103 38.487 0.089 0.000 1.326 356 N HN 0.344 nan 8.380 nan 0.000 0.532 357 D N 0.692 121.230 120.400 0.230 0.000 2.178 357 D HA -0.163 4.451 4.640 -0.042 0.000 0.201 357 D C 1.057 177.624 176.300 0.445 0.000 0.980 357 D CA 1.317 55.542 54.000 0.375 0.000 0.842 357 D CB 0.325 41.244 40.800 0.198 0.000 0.948 357 D HN 0.722 nan 8.370 nan 0.000 0.472 358 D N 0.316 120.862 120.400 0.243 0.000 2.312 358 D HA -0.162 4.452 4.640 -0.042 0.000 0.211 358 D C 0.263 176.629 176.300 0.111 0.000 0.964 358 D CA 0.379 54.493 54.000 0.190 0.000 0.877 358 D CB -0.034 40.849 40.800 0.137 0.000 0.924 358 D HN 0.017 nan 8.370 nan 0.000 0.515 359 Q N 0.220 120.064 119.800 0.074 0.000 2.475 359 Q HA -0.188 4.126 4.340 -0.042 0.000 0.280 359 Q C -0.363 175.616 176.000 -0.035 0.000 1.234 359 Q CA 0.648 56.425 55.803 -0.044 0.000 0.873 359 Q CB -2.003 26.579 28.738 -0.260 0.000 1.256 359 Q HN 0.560 nan 8.270 nan 0.000 0.475 360 K N 1.565 121.969 120.400 0.007 0.000 2.383 360 K HA 0.069 4.364 4.320 -0.042 0.000 0.286 360 K C -0.248 176.346 176.600 -0.010 0.000 1.051 360 K CA 0.064 56.352 56.287 0.002 0.000 0.974 360 K CB 0.479 32.989 32.500 0.017 0.000 0.968 360 K HN -0.023 nan 8.250 nan 0.000 0.475 361 D N 3.651 124.040 120.400 -0.019 0.000 2.432 361 D HA 0.058 4.673 4.640 -0.042 0.000 0.265 361 D C 0.874 177.163 176.300 -0.019 0.000 1.160 361 D CA -0.429 53.559 54.000 -0.019 0.000 0.911 361 D CB 0.928 41.712 40.800 -0.025 0.000 1.052 361 D HN 0.644 nan 8.370 nan 0.000 0.508 362 T N -0.077 114.466 114.554 -0.019 0.000 2.699 362 T HA -0.247 4.077 4.350 -0.042 0.000 0.268 362 T C 1.139 175.824 174.700 -0.026 0.000 1.036 362 T CA 1.473 63.558 62.100 -0.025 0.000 1.147 362 T CB -0.099 68.754 68.868 -0.026 0.000 0.862 362 T HN 0.442 nan 8.240 nan 0.000 0.446 363 D N 1.134 121.521 120.400 -0.022 0.000 2.358 363 D HA -0.023 4.592 4.640 -0.042 0.000 0.224 363 D C 0.538 176.827 176.300 -0.017 0.000 1.123 363 D CA -0.105 53.882 54.000 -0.021 0.000 0.833 363 D CB -0.448 40.340 40.800 -0.020 0.000 0.946 363 D HN 0.424 nan 8.370 nan 0.000 0.505 364 Q N 0.665 120.456 119.800 -0.016 0.000 2.436 364 Q HA -0.194 4.121 4.340 -0.042 0.000 0.264 364 Q C 0.082 176.074 176.000 -0.012 0.000 1.093 364 Q CA 1.432 57.227 55.803 -0.013 0.000 0.994 364 Q CB -1.569 27.164 28.738 -0.008 0.000 1.434 364 Q HN 0.687 nan 8.270 nan 0.000 0.520 365 D N -1.398 118.994 120.400 -0.013 0.000 2.339 365 D HA 0.151 4.766 4.640 -0.042 0.000 0.217 365 D C 1.398 177.691 176.300 -0.012 0.000 1.050 365 D CA 0.997 54.990 54.000 -0.011 0.000 0.856 365 D CB 0.303 41.096 40.800 -0.011 0.000 0.922 365 D HN 0.416 nan 8.370 nan 0.000 0.518 366 G N 0.676 109.467 108.800 -0.015 0.000 2.399 366 G HA2 -0.255 3.680 3.960 -0.042 0.000 0.216 366 G HA3 -0.255 3.680 3.960 -0.042 0.000 0.216 366 G C 0.397 175.286 174.900 -0.018 0.000 1.096 366 G CA -0.334 44.755 45.100 -0.018 0.000 0.650 366 G HN 0.343 nan 8.290 nan 0.000 0.512 367 R N 2.320 122.812 120.500 -0.012 0.000 2.248 367 R HA 0.442 4.757 4.340 -0.042 0.000 0.328 367 R C 1.156 177.450 176.300 -0.010 0.000 1.067 367 R CA 0.523 56.618 56.100 -0.008 0.000 0.924 367 R CB 0.512 30.810 30.300 -0.004 0.000 1.013 367 R HN 0.441 nan 8.270 nan 0.000 0.454 368 G N 1.911 110.705 108.800 -0.010 0.000 2.664 368 G HA2 -0.105 3.829 3.960 -0.042 0.000 0.242 368 G HA3 -0.105 3.829 3.960 -0.042 0.000 0.242 368 G C 0.549 175.449 174.900 0.001 0.000 1.225 368 G CA -0.474 44.621 45.100 -0.009 0.000 0.849 368 G HN 0.545 nan 8.290 nan 0.000 0.581 369 D N 1.020 121.422 120.400 0.004 0.000 2.178 369 D HA -0.124 4.491 4.640 -0.042 0.000 0.201 369 D C 2.577 178.886 176.300 0.014 0.000 0.980 369 D CA 1.345 55.350 54.000 0.008 0.000 0.842 369 D CB -0.214 40.592 40.800 0.009 0.000 0.948 369 D HN 0.428 nan 8.370 nan 0.000 0.472 370 A N -0.419 122.414 122.820 0.021 0.000 2.225 370 A HA -0.100 4.195 4.320 -0.042 0.000 0.215 370 A C 2.108 179.705 177.584 0.022 0.000 1.164 370 A CA 0.852 52.905 52.037 0.026 0.000 0.710 370 A CB -0.297 18.726 19.000 0.037 0.000 0.780 370 A HN 0.336 nan 8.150 nan 0.000 0.473 371 c N -2.122 116.488 118.600 0.016 0.000 2.709 371 c HA 0.196 4.740 4.570 -0.042 0.000 0.504 371 c C 0.622 174.718 174.090 0.009 0.000 1.338 371 c CA -0.344 55.993 56.329 0.014 0.000 2.606 371 c CB -0.301 42.217 42.510 0.012 0.000 3.196 371 c HN 0.572 nan 8.230 nan 0.000 0.538 372 D N 2.441 122.844 120.400 0.006 0.000 2.401 372 D HA 0.070 4.684 4.640 -0.042 0.000 0.254 372 D C 0.173 176.474 176.300 0.003 0.000 1.192 372 D CA 0.466 54.467 54.000 0.002 0.000 0.885 372 D CB 0.576 41.376 40.800 -0.001 0.000 1.147 372 D HN 0.529 nan 8.370 nan 0.000 0.478 373 D N 1.899 122.300 120.400 0.002 0.000 2.358 373 D HA -0.029 4.586 4.640 -0.042 0.000 0.224 373 D C -0.193 176.107 176.300 -0.001 0.000 1.123 373 D CA -0.282 53.719 54.000 0.002 0.000 0.833 373 D CB 0.036 40.838 40.800 0.003 0.000 0.946 373 D HN 0.245 nan 8.370 nan 0.000 0.505 374 D N 0.570 120.968 120.400 -0.003 0.000 2.656 374 D HA 0.080 4.695 4.640 -0.042 0.000 0.303 374 D C 1.553 177.847 176.300 -0.009 0.000 1.199 374 D CA -0.611 53.386 54.000 -0.006 0.000 0.797 374 D CB -0.172 40.624 40.800 -0.007 0.000 1.170 374 D HN 0.182 nan 8.370 nan 0.000 0.509 375 I N -1.271 119.294 120.570 -0.008 0.000 2.530 375 I HA -0.091 4.053 4.170 -0.042 0.000 0.257 375 I C 0.942 177.050 176.117 -0.015 0.000 1.179 375 I CA 1.336 62.630 61.300 -0.009 0.000 1.440 375 I CB -0.088 37.909 38.000 -0.006 0.000 1.087 375 I HN 0.033 nan 8.210 nan 0.000 0.440 376 D N 0.301 120.690 120.400 -0.018 0.000 2.360 376 D HA 0.198 4.812 4.640 -0.042 0.000 0.210 376 D C 1.816 178.101 176.300 -0.025 0.000 1.047 376 D CA 0.661 54.646 54.000 -0.025 0.000 0.854 376 D CB 0.202 40.985 40.800 -0.029 0.000 0.936 376 D HN 0.462 nan 8.370 nan 0.000 0.514 377 G N 1.725 110.513 108.800 -0.019 0.000 2.320 377 G HA2 -0.367 3.568 3.960 -0.042 0.000 0.242 377 G HA3 -0.367 3.568 3.960 -0.042 0.000 0.242 377 G C 0.729 175.618 174.900 -0.018 0.000 1.033 377 G CA 0.508 45.597 45.100 -0.018 0.000 0.620 377 G HN 0.527 nan 8.290 nan 0.000 0.517 378 D N 0.723 121.111 120.400 -0.021 0.000 2.379 378 D HA 0.133 4.748 4.640 -0.042 0.000 0.243 378 D C 1.191 177.481 176.300 -0.017 0.000 1.088 378 D CA 0.547 54.534 54.000 -0.021 0.000 0.925 378 D CB -0.559 40.227 40.800 -0.024 0.000 0.888 378 D HN 0.676 nan 8.370 nan 0.000 0.529 379 R N -1.428 119.064 120.500 -0.014 0.000 3.405 379 R HA -0.188 4.127 4.340 -0.042 0.000 0.258 379 R C -0.802 175.492 176.300 -0.010 0.000 1.030 379 R CA 0.350 56.443 56.100 -0.011 0.000 0.691 379 R CB -1.924 28.370 30.300 -0.010 0.000 1.093 379 R HN 0.362 nan 8.270 nan 0.000 0.448 380 I N 0.258 120.821 120.570 -0.011 0.000 2.433 380 I HA 0.261 4.406 4.170 -0.042 0.000 0.292 380 I C 0.834 176.946 176.117 -0.007 0.000 1.001 380 I CA -0.657 60.638 61.300 -0.009 0.000 1.119 380 I CB 1.556 39.550 38.000 -0.010 0.000 1.289 380 I HN 0.033 nan 8.210 nan 0.000 0.438 381 R N 3.475 123.972 120.500 -0.005 0.000 2.619 381 R HA -0.069 4.245 4.340 -0.042 0.000 0.268 381 R C 1.044 177.342 176.300 -0.003 0.000 0.990 381 R CA 0.030 56.128 56.100 -0.003 0.000 1.092 381 R CB 0.135 30.434 30.300 -0.002 0.000 0.935 381 R HN 0.549 nan 8.270 nan 0.000 0.415 382 N N 1.877 120.576 118.700 -0.002 0.000 2.021 382 N HA -0.237 4.478 4.740 -0.042 0.000 0.198 382 N C 1.470 176.980 175.510 0.000 0.000 1.041 382 N CA 1.653 54.702 53.050 -0.001 0.000 0.862 382 N CB -0.179 38.309 38.487 0.002 0.000 1.048 382 N HN 0.457 nan 8.380 nan 0.000 0.427 383 Q N -0.041 119.760 119.800 0.002 0.000 2.152 383 Q HA 0.045 4.359 4.340 -0.042 0.000 0.206 383 Q C 1.537 177.538 176.000 0.001 0.000 0.985 383 Q CA 1.724 57.528 55.803 0.003 0.000 0.863 383 Q CB -0.397 28.343 28.738 0.004 0.000 0.904 383 Q HN 0.484 nan 8.270 nan 0.000 0.422 384 A N -0.346 122.474 122.820 -0.000 0.000 2.275 384 A HA 0.019 4.314 4.320 -0.042 0.000 0.212 384 A C 0.341 177.923 177.584 -0.003 0.000 1.201 384 A CA -0.100 51.937 52.037 -0.001 0.000 0.843 384 A CB 0.145 19.144 19.000 -0.002 0.000 0.873 384 A HN 0.152 nan 8.150 nan 0.000 0.492 385 D N 1.060 121.457 120.400 -0.004 0.000 2.277 385 D HA 0.061 4.675 4.640 -0.042 0.000 0.249 385 D C 0.111 176.407 176.300 -0.007 0.000 1.134 385 D CA -0.231 53.765 54.000 -0.007 0.000 0.863 385 D CB 0.691 41.486 40.800 -0.009 0.000 1.143 385 D HN 0.328 nan 8.370 nan 0.000 0.458 386 N N 2.173 120.868 118.700 -0.008 0.000 2.362 386 N HA -0.016 4.699 4.740 -0.042 0.000 0.204 386 N C -0.423 175.080 175.510 -0.011 0.000 1.166 386 N CA -0.266 52.780 53.050 -0.007 0.000 0.831 386 N CB -0.289 38.194 38.487 -0.007 0.000 1.008 386 N HN 0.108 nan 8.380 nan 0.000 0.472 387 c N 0.170 118.761 118.600 -0.014 0.000 3.090 387 c HA 0.330 4.874 4.570 -0.042 0.000 0.227 387 c C -1.733 172.345 174.090 -0.021 0.000 1.753 387 c CA -0.829 55.488 56.329 -0.020 0.000 1.152 387 c CB 0.627 43.120 42.510 -0.028 0.000 2.036 387 c HN 0.193 nan 8.230 nan 0.000 0.610 388 P HA -0.148 nan 4.420 nan 0.000 0.218 388 P C 1.103 178.393 177.300 -0.017 0.000 1.146 388 P CA 1.338 64.431 63.100 -0.012 0.000 0.813 388 P CB -0.018 31.680 31.700 -0.005 0.000 0.778 389 R N -1.900 118.587 120.500 -0.022 0.000 2.546 389 R HA 0.365 4.680 4.340 -0.042 0.000 0.320 389 R C -0.666 175.609 176.300 -0.043 0.000 1.021 389 R CA -0.068 56.016 56.100 -0.028 0.000 1.088 389 R CB 0.159 30.446 30.300 -0.022 0.000 1.278 389 R HN -0.046 nan 8.270 nan 0.000 0.557 390 V N 2.851 122.737 119.914 -0.045 0.000 2.623 390 V HA 0.326 4.420 4.120 -0.042 0.000 0.304 390 V C -2.477 173.588 176.094 -0.049 0.000 1.054 390 V CA -2.336 59.929 62.300 -0.058 0.000 0.882 390 V CB 2.673 34.455 31.823 -0.068 0.000 1.002 390 V HN 0.094 nan 8.190 nan 0.000 0.424 391 P HA 0.112 nan 4.420 nan 0.000 0.267 391 P C -0.518 176.758 177.300 -0.041 0.000 1.328 391 P CA 0.077 63.151 63.100 -0.042 0.000 0.990 391 P CB -0.023 31.651 31.700 -0.043 0.000 1.168 392 N N 2.299 120.979 118.700 -0.035 0.000 3.112 392 N HA 0.046 4.761 4.740 -0.042 0.000 0.270 392 N C 0.461 175.955 175.510 -0.026 0.000 1.385 392 N CA -0.515 52.516 53.050 -0.032 0.000 0.986 392 N CB 0.086 38.554 38.487 -0.030 0.000 1.261 392 N HN -0.044 nan 8.380 nan 0.000 0.495 393 S N 1.412 117.096 115.700 -0.027 0.000 2.404 393 S HA -0.281 4.164 4.470 -0.042 0.000 0.230 393 S C 1.367 175.955 174.600 -0.020 0.000 1.046 393 S CA 1.979 60.165 58.200 -0.023 0.000 1.135 393 S CB -0.372 62.813 63.200 -0.024 0.000 1.056 393 S HN 0.821 nan 8.310 nan 0.000 0.426 394 D N 0.670 121.057 120.400 -0.021 0.000 2.221 394 D HA -0.216 4.399 4.640 -0.042 0.000 0.204 394 D C 0.360 176.650 176.300 -0.016 0.000 0.982 394 D CA 0.963 54.952 54.000 -0.018 0.000 0.857 394 D CB -0.414 40.374 40.800 -0.019 0.000 0.934 394 D HN 0.389 nan 8.370 nan 0.000 0.475 395 Q N -0.428 119.362 119.800 -0.018 0.000 2.488 395 Q HA -0.160 4.155 4.340 -0.042 0.000 0.279 395 Q C -0.482 175.510 176.000 -0.014 0.000 1.174 395 Q CA 0.490 56.284 55.803 -0.015 0.000 0.888 395 Q CB -1.944 26.786 28.738 -0.013 0.000 1.254 395 Q HN 0.559 nan 8.270 nan 0.000 0.475 396 K N 1.156 121.546 120.400 -0.016 0.000 2.401 396 K HA 0.090 4.384 4.320 -0.042 0.000 0.278 396 K C -0.261 176.332 176.600 -0.012 0.000 1.018 396 K CA 0.182 56.461 56.287 -0.014 0.000 0.981 396 K CB 0.523 33.014 32.500 -0.015 0.000 0.933 396 K HN -0.031 nan 8.250 nan 0.000 0.477 397 D N 2.500 122.895 120.400 -0.009 0.000 2.389 397 D HA 0.176 4.790 4.640 -0.042 0.000 0.256 397 D C 0.105 176.402 176.300 -0.006 0.000 1.239 397 D CA -0.195 53.800 54.000 -0.007 0.000 0.925 397 D CB 1.246 42.043 40.800 -0.006 0.000 1.145 397 D HN 0.450 nan 8.370 nan 0.000 0.542 398 S N 1.781 117.477 115.700 -0.006 0.000 2.380 398 S HA -0.153 4.292 4.470 -0.042 0.000 0.213 398 S C 1.386 175.985 174.600 -0.003 0.000 1.037 398 S CA 1.248 59.445 58.200 -0.005 0.000 1.034 398 S CB -0.057 63.140 63.200 -0.005 0.000 1.022 398 S HN 0.734 nan 8.310 nan 0.000 0.418 399 D N 1.080 121.479 120.400 -0.002 0.000 2.392 399 D HA 0.013 4.627 4.640 -0.042 0.000 0.228 399 D C 1.100 177.400 176.300 0.000 0.000 1.003 399 D CA 0.808 54.808 54.000 0.000 0.000 0.917 399 D CB -0.812 39.989 40.800 0.002 0.000 0.890 399 D HN 0.546 nan 8.370 nan 0.000 0.532 400 G N 2.727 111.526 108.800 -0.001 0.000 2.341 400 G HA2 -0.310 3.624 3.960 -0.042 0.000 0.292 400 G HA3 -0.310 3.624 3.960 -0.042 0.000 0.292 400 G C 0.436 175.337 174.900 0.001 0.000 1.021 400 G CA 0.670 45.770 45.100 -0.001 0.000 0.905 400 G HN 0.565 nan 8.290 nan 0.000 0.508 401 D N -1.246 119.155 120.400 0.001 0.000 2.340 401 D HA 0.328 4.942 4.640 -0.042 0.000 0.220 401 D C 1.842 178.144 176.300 0.003 0.000 1.039 401 D CA 0.804 54.806 54.000 0.003 0.000 0.866 401 D CB -0.343 40.460 40.800 0.005 0.000 0.913 401 D HN 1.485 nan 8.370 nan 0.000 0.523 402 G N 0.161 108.962 108.800 0.002 0.000 2.349 402 G HA2 -0.224 3.710 3.960 -0.042 0.000 0.213 402 G HA3 -0.224 3.710 3.960 -0.042 0.000 0.213 402 G C 0.018 174.918 174.900 0.000 0.000 1.044 402 G CA 0.029 45.130 45.100 0.001 0.000 0.633 402 G HN 0.273 nan 8.290 nan 0.000 0.506 403 I N 3.350 123.921 120.570 0.001 0.000 2.471 403 I HA 0.455 4.599 4.170 -0.042 0.000 0.286 403 I C 1.582 177.695 176.117 -0.006 0.000 1.079 403 I CA -0.310 60.989 61.300 -0.001 0.000 1.398 403 I CB 0.146 38.147 38.000 0.002 0.000 1.403 403 I HN 0.273 nan 8.210 nan 0.000 0.530 404 G N 4.997 113.792 108.800 -0.010 0.000 2.491 404 G HA2 0.037 3.972 3.960 -0.042 0.000 0.238 404 G HA3 0.037 3.972 3.960 -0.042 0.000 0.238 404 G C 0.708 175.598 174.900 -0.017 0.000 1.277 404 G CA -0.380 44.712 45.100 -0.014 0.000 0.851 404 G HN 0.686 nan 8.290 nan 0.000 0.573 405 D N 2.073 122.463 120.400 -0.017 0.000 2.144 405 D HA -0.156 4.459 4.640 -0.042 0.000 0.200 405 D C 2.654 178.938 176.300 -0.026 0.000 0.978 405 D CA 1.369 55.358 54.000 -0.018 0.000 0.833 405 D CB -0.306 40.485 40.800 -0.016 0.000 0.961 405 D HN 0.484 nan 8.370 nan 0.000 0.470 406 A N 0.755 123.556 122.820 -0.031 0.000 2.148 406 A HA -0.200 4.094 4.320 -0.042 0.000 0.222 406 A C 2.062 179.614 177.584 -0.053 0.000 1.161 406 A CA 1.819 53.831 52.037 -0.042 0.000 0.662 406 A CB -0.620 18.354 19.000 -0.043 0.000 0.799 406 A HN 0.543 nan 8.150 nan 0.000 0.466 407 c N -3.032 115.539 118.600 -0.049 0.000 3.725 407 c HA 0.441 4.986 4.570 -0.042 0.000 0.294 407 c C -0.379 173.680 174.090 -0.051 0.000 2.443 407 c CA -0.439 55.851 56.329 -0.065 0.000 1.613 407 c CB -1.067 41.405 42.510 -0.064 0.000 3.378 407 c HN 0.398 nan 8.230 nan 0.000 0.406 408 D N 2.620 123.001 120.400 -0.032 0.000 2.329 408 D HA 0.244 4.858 4.640 -0.042 0.000 0.232 408 D C 1.075 177.374 176.300 -0.003 0.000 1.088 408 D CA 0.029 54.022 54.000 -0.013 0.000 0.835 408 D CB 0.994 41.791 40.800 -0.006 0.000 1.078 408 D HN 0.479 nan 8.370 nan 0.000 0.495 409 N N 2.394 121.103 118.700 0.015 0.000 2.609 409 N HA -0.091 4.623 4.740 -0.042 0.000 0.190 409 N C -0.338 175.199 175.510 0.044 0.000 1.157 409 N CA 0.146 53.223 53.050 0.045 0.000 0.918 409 N CB -0.244 38.303 38.487 0.100 0.000 0.978 409 N HN 0.169 nan 8.380 nan 0.000 0.448 410 c N 0.720 119.336 118.600 0.027 0.000 3.319 410 c HA 0.315 4.859 4.570 -0.042 0.000 0.200 410 c C -1.835 172.263 174.090 0.012 0.000 1.332 410 c CA -0.971 55.371 56.329 0.021 0.000 1.170 410 c CB 1.032 43.554 42.510 0.021 0.000 1.855 410 c HN 0.254 nan 8.230 nan 0.000 0.593 411 P HA -0.108 nan 4.420 nan 0.000 0.236 411 P C 0.795 178.096 177.300 0.002 0.000 1.172 411 P CA 1.449 64.550 63.100 0.002 0.000 0.759 411 P CB 0.501 32.200 31.700 -0.002 0.000 0.843 412 Q N -0.775 119.029 119.800 0.005 0.000 2.280 412 Q HA 0.211 4.525 4.340 -0.042 0.000 0.244 412 Q C 0.002 176.005 176.000 0.005 0.000 0.847 412 Q CA 0.640 56.446 55.803 0.005 0.000 0.945 412 Q CB 0.482 29.224 28.738 0.006 0.000 1.115 412 Q HN -0.135 nan 8.270 nan 0.000 0.513 413 K N -0.488 119.916 120.400 0.006 0.000 2.565 413 K HA 0.370 4.665 4.320 -0.042 0.000 0.249 413 K C -1.315 175.288 176.600 0.006 0.000 0.958 413 K CA -0.269 56.021 56.287 0.006 0.000 0.806 413 K CB 1.766 34.270 32.500 0.006 0.000 1.194 413 K HN -0.099 nan 8.250 nan 0.000 0.434 414 S N 4.256 119.959 115.700 0.005 0.000 3.452 414 S HA -0.092 4.353 4.470 -0.042 0.000 0.410 414 S C -0.222 174.382 174.600 0.006 0.000 1.076 414 S CA 0.340 58.543 58.200 0.005 0.000 1.538 414 S CB -0.921 62.281 63.200 0.004 0.000 1.006 414 S HN 0.544 nan 8.310 nan 0.000 0.576 415 N N 5.398 124.103 118.700 0.008 0.000 2.790 415 N HA 0.226 4.941 4.740 -0.042 0.000 0.256 415 N C -2.346 173.171 175.510 0.011 0.000 1.409 415 N CA -1.613 51.442 53.050 0.009 0.000 0.799 415 N CB 1.327 39.821 38.487 0.011 0.000 1.170 415 N HN 0.235 nan 8.380 nan 0.000 0.507 416 P HA -0.229 nan 4.420 nan 0.000 0.214 416 P C 0.903 178.212 177.300 0.015 0.000 1.169 416 P CA 1.670 64.777 63.100 0.011 0.000 0.908 416 P CB 0.155 31.861 31.700 0.010 0.000 0.791 417 D N -0.710 119.699 120.400 0.016 0.000 2.221 417 D HA -0.219 4.396 4.640 -0.042 0.000 0.204 417 D C 0.972 177.287 176.300 0.026 0.000 0.982 417 D CA 0.884 54.895 54.000 0.020 0.000 0.857 417 D CB -1.079 39.730 40.800 0.016 0.000 0.934 417 D HN 0.149 nan 8.370 nan 0.000 0.475 418 Q N -1.260 118.556 119.800 0.025 0.000 2.416 418 Q HA -0.198 4.116 4.340 -0.042 0.000 0.235 418 Q C 0.121 176.143 176.000 0.037 0.000 0.773 418 Q CA 0.976 56.800 55.803 0.036 0.000 1.286 418 Q CB -2.499 26.267 28.738 0.046 0.000 1.556 418 Q HN 0.674 nan 8.270 nan 0.000 0.650 419 A N 1.541 124.372 122.820 0.018 0.000 2.591 419 A HA 0.093 4.387 4.320 -0.042 0.000 0.244 419 A C 0.485 178.052 177.584 -0.027 0.000 1.031 419 A CA 1.234 53.268 52.037 -0.005 0.000 0.767 419 A CB 0.056 19.049 19.000 -0.011 0.000 0.942 419 A HN 0.216 nan 8.150 nan 0.000 0.514 420 D N 2.712 123.062 120.400 -0.084 0.000 2.656 420 D HA 0.204 4.819 4.640 -0.042 0.000 0.303 420 D C 0.817 176.891 176.300 -0.378 0.000 1.199 420 D CA -0.109 53.807 54.000 -0.140 0.000 0.797 420 D CB 0.465 41.239 40.800 -0.043 0.000 1.170 420 D HN 0.197 nan 8.370 nan 0.000 0.509 421 V N 1.823 121.575 119.914 -0.271 0.000 2.231 421 V HA -0.303 3.792 4.120 -0.042 0.000 0.250 421 V C 1.518 177.381 176.094 -0.385 0.000 1.058 421 V CA 2.904 65.027 62.300 -0.295 0.000 1.022 421 V CB -0.086 31.659 31.823 -0.131 0.000 0.640 421 V HN 0.538 nan 8.190 nan 0.000 0.445 422 D N -1.678 118.586 120.400 -0.227 0.000 2.371 422 D HA -0.117 4.498 4.640 -0.042 0.000 0.221 422 D C 0.784 177.047 176.300 -0.062 0.000 0.986 422 D CA 0.623 54.560 54.000 -0.105 0.000 0.899 422 D CB -0.729 40.032 40.800 -0.066 0.000 0.902 422 D HN 0.806 nan 8.370 nan 0.000 0.530 423 H N 0.354 119.354 119.070 -0.117 0.000 2.756 423 H HA -0.114 4.417 4.556 -0.041 0.000 0.315 423 H C -0.073 175.038 175.328 -0.361 0.000 1.210 423 H CA 0.977 56.884 56.048 -0.235 0.000 1.150 423 H CB -1.830 27.807 29.762 -0.208 0.000 1.463 423 H HN 0.513 nan 8.280 nan 0.000 0.427 424 D N -0.791 119.494 120.400 -0.191 0.000 2.379 424 D HA -0.017 4.597 4.640 -0.042 0.000 0.208 424 D C 0.927 177.199 176.300 -0.046 0.000 1.065 424 D CA -0.154 53.751 54.000 -0.157 0.000 0.848 424 D CB 0.032 40.786 40.800 -0.076 0.000 0.949 424 D HN 0.287 nan 8.370 nan 0.000 0.509 425 F N -0.901 119.074 119.950 0.042 0.000 2.517 425 F HA -0.215 4.286 4.527 -0.043 0.000 0.434 425 F C 0.097 175.913 175.800 0.028 0.000 0.564 425 F CA 0.006 58.032 58.000 0.045 0.000 1.414 425 F CB -1.725 37.315 39.000 0.067 0.000 2.009 425 F HN -0.090 nan 8.300 nan 0.000 0.274 426 V N 1.153 121.169 119.914 0.171 0.000 2.408 426 V HA 0.576 4.671 4.120 -0.042 0.000 0.267 426 V C 1.320 177.453 176.094 0.066 0.000 1.047 426 V CA -0.204 62.156 62.300 0.100 0.000 0.937 426 V CB 0.640 32.501 31.823 0.063 0.000 0.999 426 V HN 0.394 nan 8.190 nan 0.000 0.472 427 G N 3.222 112.061 108.800 0.064 0.000 2.771 427 G HA2 0.023 3.957 3.960 -0.042 0.000 0.242 427 G HA3 0.023 3.957 3.960 -0.042 0.000 0.242 427 G C 0.562 175.467 174.900 0.008 0.000 1.233 427 G CA -0.203 44.918 45.100 0.035 0.000 0.858 427 G HN 0.738 nan 8.290 nan 0.000 0.591 428 D N 0.490 120.886 120.400 -0.007 0.000 2.144 428 D HA -0.085 4.529 4.640 -0.042 0.000 0.199 428 D C 2.690 178.986 176.300 -0.006 0.000 0.984 428 D CA 1.457 55.448 54.000 -0.016 0.000 0.834 428 D CB -0.390 40.397 40.800 -0.022 0.000 0.955 428 D HN 0.420 nan 8.370 nan 0.000 0.465 429 A N -0.438 122.383 122.820 0.001 0.000 2.131 429 A HA -0.167 4.127 4.320 -0.042 0.000 0.220 429 A C 1.978 179.565 177.584 0.005 0.000 1.158 429 A CA 1.421 53.460 52.037 0.004 0.000 0.665 429 A CB -0.332 18.672 19.000 0.007 0.000 0.795 429 A HN 0.416 nan 8.150 nan 0.000 0.460 430 c N -2.249 116.355 118.600 0.007 0.000 3.685 430 c HA 0.201 4.746 4.570 -0.042 0.000 0.513 430 c C 0.504 174.600 174.090 0.010 0.000 1.448 430 c CA -0.860 55.476 56.329 0.011 0.000 2.275 430 c CB -0.415 42.107 42.510 0.019 0.000 3.373 430 c HN 0.509 nan 8.230 nan 0.000 0.627 431 D N 2.500 122.903 120.400 0.005 0.000 2.426 431 D HA 0.021 4.635 4.640 -0.042 0.000 0.261 431 D C 1.200 177.498 176.300 -0.003 0.000 1.245 431 D CA 0.609 54.609 54.000 -0.000 0.000 0.917 431 D CB 0.850 41.642 40.800 -0.013 0.000 1.123 431 D HN 0.570 nan 8.370 nan 0.000 0.508 432 S N 1.880 117.581 115.700 0.001 0.000 2.535 432 S HA -0.030 4.415 4.470 -0.042 0.000 0.214 432 S C 0.629 175.226 174.600 -0.005 0.000 0.980 432 S CA -0.245 57.955 58.200 -0.000 0.000 0.907 432 S CB 0.330 63.533 63.200 0.005 0.000 0.790 432 S HN 0.491 nan 8.310 nan 0.000 0.510 433 D N 1.040 121.435 120.400 -0.009 0.000 2.931 433 D HA -0.173 4.442 4.640 -0.042 0.000 0.228 433 D C -0.482 175.812 176.300 -0.011 0.000 1.180 433 D CA 1.130 55.120 54.000 -0.016 0.000 0.784 433 D CB -1.368 39.419 40.800 -0.022 0.000 1.093 433 D HN 0.665 nan 8.370 nan 0.000 0.421 434 Q N 0.307 120.105 119.800 -0.002 0.000 2.398 434 Q HA 0.329 4.643 4.340 -0.042 0.000 0.251 434 Q C -0.551 175.454 176.000 0.009 0.000 0.999 434 Q CA -0.306 55.499 55.803 0.003 0.000 0.874 434 Q CB 1.283 30.025 28.738 0.006 0.000 1.215 434 Q HN -0.072 nan 8.270 nan 0.000 0.470 435 D N 1.981 122.386 120.400 0.007 0.000 2.456 435 D HA 0.019 4.633 4.640 -0.042 0.000 0.287 435 D C 0.715 177.027 176.300 0.019 0.000 1.186 435 D CA -0.118 53.892 54.000 0.016 0.000 0.916 435 D CB 0.658 41.461 40.800 0.006 0.000 1.029 435 D HN 0.434 nan 8.370 nan 0.000 0.498 436 Q N 1.399 121.212 119.800 0.022 0.000 2.156 436 Q HA -0.211 4.104 4.340 -0.042 0.000 0.211 436 Q C 0.658 176.673 176.000 0.025 0.000 0.995 436 Q CA 1.849 57.664 55.803 0.021 0.000 0.877 436 Q CB 0.255 29.005 28.738 0.020 0.000 0.920 436 Q HN 0.602 nan 8.270 nan 0.000 0.416 437 D N -2.211 118.209 120.400 0.033 0.000 2.339 437 D HA 0.066 4.681 4.640 -0.042 0.000 0.217 437 D C 0.964 177.291 176.300 0.044 0.000 1.050 437 D CA 0.824 54.847 54.000 0.038 0.000 0.856 437 D CB -0.446 40.379 40.800 0.042 0.000 0.922 437 D HN 0.357 nan 8.370 nan 0.000 0.518 438 G N 2.259 111.081 108.800 0.037 0.000 2.296 438 G HA2 -0.338 3.597 3.960 -0.042 0.000 0.282 438 G HA3 -0.338 3.597 3.960 -0.042 0.000 0.282 438 G C 0.597 175.523 174.900 0.043 0.000 1.014 438 G CA 0.786 45.905 45.100 0.031 0.000 0.812 438 G HN 0.580 nan 8.290 nan 0.000 0.508 439 D N -1.162 119.273 120.400 0.059 0.000 2.349 439 D HA 0.325 4.939 4.640 -0.042 0.000 0.215 439 D C 1.766 178.085 176.300 0.033 0.000 1.016 439 D CA 0.899 54.950 54.000 0.085 0.000 0.870 439 D CB -0.319 40.560 40.800 0.132 0.000 0.917 439 D HN 1.451 nan 8.370 nan 0.000 0.524 440 G N -0.238 108.532 108.800 -0.051 0.000 2.316 440 G HA2 -0.176 3.759 3.960 -0.042 0.000 0.203 440 G HA3 -0.176 3.759 3.960 -0.042 0.000 0.203 440 G C -0.022 174.678 174.900 -0.333 0.000 0.999 440 G CA -0.342 44.621 45.100 -0.229 0.000 0.649 440 G HN 0.486 nan 8.290 nan 0.000 0.489 441 H N 1.465 120.549 119.070 0.024 0.000 2.519 441 H HA 0.430 4.961 4.556 -0.042 0.000 0.316 441 H C 0.476 175.814 175.328 0.017 0.000 1.065 441 H CA -0.312 55.751 56.048 0.025 0.000 1.264 441 H CB 1.263 31.042 29.762 0.028 0.000 1.413 441 H HN 0.467 nan 8.280 nan 0.000 0.465 442 Q N 2.691 122.550 119.800 0.098 0.000 2.310 442 Q HA -0.107 4.208 4.340 -0.042 0.000 0.315 442 Q C 0.272 176.315 176.000 0.072 0.000 1.081 442 Q CA -0.190 55.651 55.803 0.062 0.000 0.981 442 Q CB 0.637 29.405 28.738 0.049 0.000 1.184 442 Q HN 0.541 nan 8.270 nan 0.000 0.389 443 D N 1.890 122.319 120.400 0.049 0.000 2.158 443 D HA -0.163 4.451 4.640 -0.042 0.000 0.197 443 D C 1.555 177.875 176.300 0.034 0.000 0.995 443 D CA 1.812 55.836 54.000 0.040 0.000 0.846 443 D CB -0.134 40.683 40.800 0.028 0.000 0.941 443 D HN 0.559 nan 8.370 nan 0.000 0.456 444 S N 0.201 115.920 115.700 0.031 0.000 2.423 444 S HA -0.175 4.270 4.470 -0.042 0.000 0.238 444 S C 1.562 176.180 174.600 0.030 0.000 1.028 444 S CA 1.145 59.361 58.200 0.027 0.000 1.000 444 S CB -0.067 63.148 63.200 0.027 0.000 0.797 444 S HN 0.358 nan 8.310 nan 0.000 0.487 445 R N 0.052 120.579 120.500 0.045 0.000 2.572 445 R HA 0.241 4.555 4.340 -0.042 0.000 0.370 445 R C -0.802 175.520 176.300 0.035 0.000 1.005 445 R CA -0.202 55.927 56.100 0.047 0.000 1.146 445 R CB 0.462 30.809 30.300 0.078 0.000 1.390 445 R HN 0.139 nan 8.270 nan 0.000 0.553 446 D N 1.728 122.150 120.400 0.036 0.000 2.277 446 D HA -0.016 4.598 4.640 -0.042 0.000 0.249 446 D C 0.558 176.841 176.300 -0.027 0.000 1.134 446 D CA -0.084 53.922 54.000 0.009 0.000 0.863 446 D CB 0.973 41.801 40.800 0.048 0.000 1.143 446 D HN 0.101 nan 8.370 nan 0.000 0.458 447 N N 2.519 121.176 118.700 -0.072 0.000 2.515 447 N HA -0.095 4.619 4.740 -0.042 0.000 0.191 447 N C -0.129 175.357 175.510 -0.040 0.000 1.182 447 N CA -0.152 52.865 53.050 -0.056 0.000 0.879 447 N CB -0.362 38.078 38.487 -0.077 0.000 0.984 447 N HN 0.183 nan 8.380 nan 0.000 0.453 448 c N -0.086 118.497 118.600 -0.028 0.000 2.542 448 c HA 0.316 4.861 4.570 -0.042 0.000 0.304 448 c C -2.298 171.792 174.090 0.001 0.000 0.794 448 c CA -0.867 55.453 56.329 -0.016 0.000 0.890 448 c CB -0.177 42.318 42.510 -0.025 0.000 1.554 448 c HN 0.071 nan 8.230 nan 0.000 0.707 449 P HA -0.005 nan 4.420 nan 0.000 0.228 449 P C 1.342 178.656 177.300 0.023 0.000 1.151 449 P CA 1.515 64.627 63.100 0.020 0.000 0.770 449 P CB 0.331 32.041 31.700 0.017 0.000 0.786 450 T N -1.746 112.818 114.554 0.017 0.000 3.056 450 T HA 0.108 4.432 4.350 -0.042 0.000 0.241 450 T C 0.594 175.306 174.700 0.020 0.000 1.006 450 T CA 0.174 62.285 62.100 0.018 0.000 1.115 450 T CB -0.005 68.871 68.868 0.013 0.000 0.939 450 T HN -0.229 nan 8.240 nan 0.000 0.462 451 V N 3.921 123.844 119.914 0.015 0.000 2.530 451 V HA 0.297 4.392 4.120 -0.042 0.000 0.282 451 V C -2.576 173.532 176.094 0.024 0.000 1.048 451 V CA -2.295 60.014 62.300 0.015 0.000 0.997 451 V CB 0.637 32.463 31.823 0.005 0.000 0.987 451 V HN 0.144 nan 8.190 nan 0.000 0.477 452 P HA 0.208 nan 4.420 nan 0.000 0.276 452 P C -0.487 176.839 177.300 0.043 0.000 1.264 452 P CA 0.042 63.170 63.100 0.047 0.000 0.769 452 P CB 0.162 31.888 31.700 0.043 0.000 0.840 453 N N 1.195 119.933 118.700 0.062 0.000 2.732 453 N HA 0.041 4.755 4.740 -0.042 0.000 0.235 453 N C 0.005 175.563 175.510 0.079 0.000 1.466 453 N CA -0.476 52.600 53.050 0.042 0.000 0.751 453 N CB -0.236 38.249 38.487 -0.003 0.000 1.317 453 N HN -0.063 nan 8.380 nan 0.000 0.525 454 S N 0.274 116.064 115.700 0.151 0.000 2.400 454 S HA -0.146 4.299 4.470 -0.042 0.000 0.232 454 S C 1.901 176.619 174.600 0.196 0.000 1.025 454 S CA 1.331 59.696 58.200 0.275 0.000 0.993 454 S CB -0.067 63.269 63.200 0.227 0.000 0.808 454 S HN 0.721 nan 8.310 nan 0.000 0.478 455 A N 0.688 123.539 122.820 0.052 0.000 2.015 455 A HA -0.051 4.243 4.320 -0.042 0.000 0.219 455 A C 1.022 178.564 177.584 -0.069 0.000 1.163 455 A CA 0.818 52.832 52.037 -0.039 0.000 0.646 455 A CB -0.306 18.625 19.000 -0.115 0.000 0.806 455 A HN 0.374 nan 8.150 nan 0.000 0.448 456 Q N -0.798 118.949 119.800 -0.089 0.000 2.481 456 Q HA -0.196 4.119 4.340 -0.042 0.000 0.272 456 Q C -0.762 175.174 176.000 -0.108 0.000 1.157 456 Q CA 1.215 56.934 55.803 -0.141 0.000 0.935 456 Q CB -2.026 26.558 28.738 -0.256 0.000 1.338 456 Q HN 0.881 nan 8.270 nan 0.000 0.494 457 E N 0.927 121.070 120.200 -0.095 0.000 2.438 457 E HA 0.203 4.527 4.350 -0.042 0.000 0.261 457 E C 0.454 176.988 176.600 -0.110 0.000 1.103 457 E CA 0.446 56.786 56.400 -0.100 0.000 0.959 457 E CB 0.389 30.030 29.700 -0.097 0.000 0.958 457 E HN 0.178 nan 8.360 nan 0.000 0.447 458 D N 0.132 120.439 120.400 -0.155 0.000 3.937 458 D HA 0.092 4.707 4.640 -0.042 0.000 0.250 458 D C -0.070 175.998 176.300 -0.387 0.000 1.434 458 D CA -0.044 53.840 54.000 -0.193 0.000 0.834 458 D CB -0.547 40.174 40.800 -0.132 0.000 1.395 458 D HN 0.228 nan 8.370 nan 0.000 0.778 459 S N 0.272 115.792 115.700 -0.299 0.000 2.393 459 S HA -0.274 4.170 4.470 -0.042 0.000 0.235 459 S C 1.111 175.462 174.600 -0.416 0.000 1.061 459 S CA 2.268 60.270 58.200 -0.330 0.000 1.129 459 S CB -0.220 62.896 63.200 -0.141 0.000 1.011 459 S HN 0.601 nan 8.310 nan 0.000 0.436 460 D N -0.185 120.082 120.400 -0.223 0.000 2.265 460 D HA -0.076 4.539 4.640 -0.042 0.000 0.208 460 D C 0.404 176.681 176.300 -0.039 0.000 0.977 460 D CA 1.118 55.058 54.000 -0.100 0.000 0.871 460 D CB -0.567 40.202 40.800 -0.052 0.000 0.925 460 D HN 0.678 nan 8.370 nan 0.000 0.485 461 H N -1.154 117.906 119.070 -0.017 0.000 2.899 461 H HA -0.146 4.384 4.556 -0.042 0.000 0.282 461 H C 0.293 175.610 175.328 -0.019 0.000 1.198 461 H CA 0.752 56.787 56.048 -0.020 0.000 1.140 461 H CB -1.425 28.325 29.762 -0.020 0.000 1.317 461 H HN 0.406 nan 8.280 nan 0.000 0.375 462 D N -1.128 119.296 120.400 0.040 0.000 2.305 462 D HA 0.144 4.759 4.640 -0.042 0.000 0.206 462 D C 2.023 178.330 176.300 0.012 0.000 0.974 462 D CA 1.018 55.031 54.000 0.023 0.000 0.871 462 D CB 0.052 40.855 40.800 0.005 0.000 0.947 462 D HN 0.586 nan 8.370 nan 0.000 0.516 463 G N -0.156 108.645 108.800 0.002 0.000 2.229 463 G HA2 -0.243 3.692 3.960 -0.042 0.000 0.189 463 G HA3 -0.243 3.692 3.960 -0.042 0.000 0.189 463 G C -0.018 174.870 174.900 -0.020 0.000 1.000 463 G CA 0.005 45.102 45.100 -0.005 0.000 0.663 463 G HN 0.548 nan 8.290 nan 0.000 0.493 464 Q N 1.086 120.871 119.800 -0.025 0.000 2.331 464 Q HA 0.551 4.866 4.340 -0.042 0.000 0.257 464 Q C 0.864 176.838 176.000 -0.042 0.000 0.957 464 Q CA -0.077 55.708 55.803 -0.029 0.000 0.923 464 Q CB 0.688 29.412 28.738 -0.022 0.000 1.212 464 Q HN 0.587 nan 8.270 nan 0.000 0.443 465 G N 4.084 112.858 108.800 -0.044 0.000 2.225 465 G HA2 -0.133 3.801 3.960 -0.042 0.000 0.245 465 G HA3 -0.133 3.801 3.960 -0.042 0.000 0.245 465 G C 0.251 175.123 174.900 -0.046 0.000 1.249 465 G CA -0.350 44.718 45.100 -0.052 0.000 0.919 465 G HN 0.862 nan 8.290 nan 0.000 0.486 466 D N 3.009 123.375 120.400 -0.057 0.000 2.126 466 D HA -0.222 4.392 4.640 -0.042 0.000 0.190 466 D C 2.612 178.891 176.300 -0.035 0.000 1.001 466 D CA 1.980 55.951 54.000 -0.048 0.000 0.841 466 D CB -0.260 40.505 40.800 -0.058 0.000 0.949 466 D HN 0.539 nan 8.370 nan 0.000 0.446 467 A N 0.014 122.813 122.820 -0.036 0.000 2.259 467 A HA -0.037 4.258 4.320 -0.042 0.000 0.212 467 A C 1.402 178.975 177.584 -0.018 0.000 1.178 467 A CA 1.045 53.065 52.037 -0.027 0.000 0.734 467 A CB -0.673 18.310 19.000 -0.028 0.000 0.774 467 A HN 0.494 nan 8.150 nan 0.000 0.481 468 c N -2.078 116.511 118.600 -0.018 0.000 3.158 468 c HA 0.582 5.126 4.570 -0.042 0.000 0.228 468 c C -0.721 173.361 174.090 -0.013 0.000 2.110 468 c CA -0.577 55.744 56.329 -0.012 0.000 1.407 468 c CB -1.028 41.476 42.510 -0.009 0.000 2.635 468 c HN 0.392 nan 8.230 nan 0.000 0.509 469 D N 0.365 120.757 120.400 -0.014 0.000 2.386 469 D HA 0.321 4.935 4.640 -0.042 0.000 0.247 469 D C 0.180 176.474 176.300 -0.010 0.000 1.336 469 D CA 0.007 53.998 54.000 -0.015 0.000 0.976 469 D CB 1.050 41.834 40.800 -0.025 0.000 1.257 469 D HN 0.135 nan 8.370 nan 0.000 0.570 470 D N 1.457 121.853 120.400 -0.006 0.000 2.363 470 D HA 0.018 4.632 4.640 -0.042 0.000 0.220 470 D C -0.191 176.108 176.300 -0.002 0.000 0.994 470 D CA 0.520 54.519 54.000 -0.002 0.000 0.890 470 D CB 0.285 41.085 40.800 -0.001 0.000 0.906 470 D HN 0.334 nan 8.370 nan 0.000 0.530 471 D N 0.267 120.664 120.400 -0.005 0.000 2.456 471 D HA 0.057 4.672 4.640 -0.042 0.000 0.287 471 D C 0.496 176.790 176.300 -0.010 0.000 1.186 471 D CA -0.377 53.619 54.000 -0.006 0.000 0.916 471 D CB 0.521 41.317 40.800 -0.007 0.000 1.029 471 D HN -0.274 nan 8.370 nan 0.000 0.498 472 D N 0.535 120.932 120.400 -0.005 0.000 2.133 472 D HA -0.116 4.498 4.640 -0.042 0.000 0.195 472 D C 0.079 176.366 176.300 -0.022 0.000 0.997 472 D CA 1.295 55.289 54.000 -0.009 0.000 0.840 472 D CB 0.284 41.092 40.800 0.013 0.000 0.947 472 D HN 0.588 nan 8.370 nan 0.000 0.452 473 D N 0.089 120.480 120.400 -0.014 0.000 2.492 473 D HA 0.102 4.717 4.640 -0.042 0.000 0.248 473 D C -0.588 175.704 176.300 -0.013 0.000 1.101 473 D CA -0.674 53.315 54.000 -0.019 0.000 0.840 473 D CB 0.638 41.431 40.800 -0.011 0.000 1.209 473 D HN -0.287 nan 8.370 nan 0.000 0.524 474 N N 1.914 120.606 118.700 -0.012 0.000 2.921 474 N HA -0.061 4.653 4.740 -0.042 0.000 0.325 474 N C 0.324 175.832 175.510 -0.003 0.000 1.194 474 N CA 0.340 53.387 53.050 -0.006 0.000 1.184 474 N CB 0.027 38.513 38.487 -0.002 0.000 1.433 474 N HN 0.439 nan 8.380 nan 0.000 0.539 475 D N -2.384 118.013 120.400 -0.005 0.000 2.490 475 D HA 0.190 4.804 4.640 -0.042 0.000 0.244 475 D C 1.402 177.700 176.300 -0.005 0.000 0.979 475 D CA 0.968 54.965 54.000 -0.005 0.000 0.924 475 D CB -0.078 40.718 40.800 -0.007 0.000 1.075 475 D HN 0.223 nan 8.370 nan 0.000 0.488 476 G N -0.368 108.429 108.800 -0.005 0.000 3.675 476 G HA2 -0.119 3.816 3.960 -0.042 0.000 0.206 476 G HA3 -0.119 3.816 3.960 -0.042 0.000 0.206 476 G C -0.156 174.741 174.900 -0.005 0.000 1.086 476 G CA -0.045 45.052 45.100 -0.005 0.000 0.894 476 G HN 0.284 nan 8.290 nan 0.000 0.412 477 V N 5.070 124.980 119.914 -0.006 0.000 2.540 477 V HA 0.311 4.405 4.120 -0.042 0.000 0.297 477 V C -1.191 174.900 176.094 -0.004 0.000 1.024 477 V CA -0.532 61.765 62.300 -0.006 0.000 1.105 477 V CB 0.803 32.620 31.823 -0.010 0.000 0.938 477 V HN 0.371 nan 8.190 nan 0.000 0.482 478 P HA 0.080 nan 4.420 nan 0.000 0.269 478 P C 0.052 177.355 177.300 0.005 0.000 1.215 478 P CA -0.170 62.931 63.100 0.002 0.000 0.780 478 P CB 0.644 32.345 31.700 0.002 0.000 0.898 479 D N 0.066 120.473 120.400 0.011 0.000 2.328 479 D HA -0.047 4.568 4.640 -0.042 0.000 0.221 479 D C 0.878 177.193 176.300 0.026 0.000 1.072 479 D CA 0.158 54.171 54.000 0.022 0.000 0.850 479 D CB -0.127 40.694 40.800 0.035 0.000 0.922 479 D HN 0.287 nan 8.370 nan 0.000 0.516 480 S N 0.880 116.590 115.700 0.017 0.000 2.345 480 S HA -0.060 4.385 4.470 -0.042 0.000 0.219 480 S C 1.438 176.046 174.600 0.014 0.000 1.031 480 S CA 0.363 58.573 58.200 0.016 0.000 0.984 480 S CB -0.098 63.108 63.200 0.011 0.000 0.874 480 S HN -0.010 nan 8.310 nan 0.000 0.451 481 R N 1.922 122.426 120.500 0.007 0.000 3.194 481 R HA 0.418 4.733 4.340 -0.042 0.000 0.306 481 R C -1.487 174.810 176.300 -0.005 0.000 1.347 481 R CA -0.213 55.888 56.100 0.001 0.000 1.540 481 R CB 0.054 30.353 30.300 -0.001 0.000 1.352 481 R HN 0.214 nan 8.270 nan 0.000 0.621 482 D N 0.426 120.823 120.400 -0.005 0.000 2.438 482 D HA 0.028 4.642 4.640 -0.042 0.000 0.257 482 D C 0.641 176.919 176.300 -0.038 0.000 1.148 482 D CA -0.269 53.721 54.000 -0.017 0.000 0.902 482 D CB 0.443 41.238 40.800 -0.008 0.000 1.062 482 D HN 0.352 nan 8.370 nan 0.000 0.518 483 N N 1.527 120.197 118.700 -0.050 0.000 2.089 483 N HA -0.243 4.472 4.740 -0.042 0.000 0.198 483 N C 0.475 175.897 175.510 -0.147 0.000 1.017 483 N CA 1.305 54.306 53.050 -0.081 0.000 0.880 483 N CB -0.188 38.255 38.487 -0.072 0.000 1.042 483 N HN 0.166 nan 8.380 nan 0.000 0.446 484 c N 1.014 119.536 118.600 -0.129 0.000 2.170 484 c HA 0.379 4.924 4.570 -0.042 0.000 0.339 484 c C 1.511 175.540 174.090 -0.102 0.000 1.056 484 c CA -0.976 55.252 56.329 -0.169 0.000 1.535 484 c CB -0.687 41.747 42.510 -0.126 0.000 1.785 484 c HN 0.395 nan 8.230 nan 0.000 0.440 485 R N 1.213 121.655 120.500 -0.097 0.000 2.103 485 R HA -0.136 4.178 4.340 -0.042 0.000 0.242 485 R C 1.160 177.504 176.300 0.074 0.000 1.142 485 R CA 1.694 57.830 56.100 0.059 0.000 0.960 485 R CB 0.072 30.546 30.300 0.290 0.000 0.858 485 R HN 0.678 nan 8.270 nan 0.000 0.439 486 L N -0.579 120.690 121.223 0.077 0.000 2.547 486 L HA 0.140 4.454 4.340 -0.042 0.000 0.218 486 L C 0.638 177.522 176.870 0.023 0.000 1.048 486 L CA -0.213 54.672 54.840 0.075 0.000 0.859 486 L CB 0.333 42.483 42.059 0.151 0.000 1.128 486 L HN -0.078 nan 8.230 nan 0.000 0.483 487 V N 0.423 120.338 119.914 0.000 0.000 2.530 487 V HA 0.382 4.477 4.120 -0.042 0.000 0.282 487 V C -2.328 173.753 176.094 -0.020 0.000 1.048 487 V CA -1.868 60.425 62.300 -0.012 0.000 0.997 487 V CB 0.571 32.381 31.823 -0.021 0.000 0.987 487 V HN -0.076 nan 8.190 nan 0.000 0.477 488 P HA 0.213 nan 4.420 nan 0.000 0.268 488 P C -0.978 176.311 177.300 -0.019 0.000 1.204 488 P CA 0.310 63.402 63.100 -0.013 0.000 0.768 488 P CB 0.266 31.962 31.700 -0.006 0.000 0.842 489 N N 2.709 121.396 118.700 -0.021 0.000 3.112 489 N HA 0.070 4.785 4.740 -0.042 0.000 0.231 489 N C -2.713 172.785 175.510 -0.020 0.000 1.385 489 N CA -1.570 51.467 53.050 -0.023 0.000 0.790 489 N CB 0.449 38.917 38.487 -0.032 0.000 1.563 489 N HN 0.071 nan 8.380 nan 0.000 0.613 490 P HA -0.010 nan 4.420 nan 0.000 0.222 490 P C 1.354 178.646 177.300 -0.014 0.000 1.147 490 P CA 1.164 64.256 63.100 -0.013 0.000 0.790 490 P CB 0.046 31.740 31.700 -0.010 0.000 0.780 491 G N -0.428 108.362 108.800 -0.016 0.000 2.511 491 G HA2 -0.152 3.782 3.960 -0.042 0.000 0.217 491 G HA3 -0.152 3.782 3.960 -0.042 0.000 0.217 491 G C 0.938 175.826 174.900 -0.020 0.000 1.133 491 G CA 0.186 45.276 45.100 -0.016 0.000 0.792 491 G HN 0.123 nan 8.290 nan 0.000 0.539 492 Q N -0.210 119.575 119.800 -0.025 0.000 2.196 492 Q HA -0.209 4.106 4.340 -0.042 0.000 0.191 492 Q C 0.571 176.552 176.000 -0.032 0.000 0.656 492 Q CA 1.599 57.385 55.803 -0.030 0.000 1.453 492 Q CB -1.784 26.939 28.738 -0.024 0.000 1.707 492 Q HN 0.845 nan 8.270 nan 0.000 0.731 493 E N 1.655 121.838 120.200 -0.028 0.000 2.442 493 E HA 0.218 4.543 4.350 -0.042 0.000 0.262 493 E C -0.232 176.349 176.600 -0.031 0.000 1.004 493 E CA 0.430 56.814 56.400 -0.026 0.000 0.928 493 E CB 0.631 30.319 29.700 -0.021 0.000 0.937 493 E HN 0.056 nan 8.360 nan 0.000 0.446 494 D N 1.614 121.997 120.400 -0.028 0.000 2.400 494 D HA 0.352 4.967 4.640 -0.042 0.000 0.272 494 D C 0.455 176.742 176.300 -0.022 0.000 1.220 494 D CA -0.145 53.838 54.000 -0.030 0.000 0.897 494 D CB 0.670 41.450 40.800 -0.033 0.000 1.134 494 D HN 0.421 nan 8.370 nan 0.000 0.507 495 A N 2.678 125.486 122.820 -0.020 0.000 1.877 495 A HA -0.171 4.124 4.320 -0.042 0.000 0.216 495 A C 1.810 179.386 177.584 -0.014 0.000 1.186 495 A CA 1.780 53.808 52.037 -0.015 0.000 0.620 495 A CB -0.317 18.675 19.000 -0.014 0.000 0.822 495 A HN 0.627 nan 8.150 nan 0.000 0.443 496 D N -1.949 118.442 120.400 -0.015 0.000 2.348 496 D HA -0.135 4.480 4.640 -0.042 0.000 0.216 496 D C 0.748 177.041 176.300 -0.012 0.000 0.970 496 D CA 0.844 54.837 54.000 -0.013 0.000 0.889 496 D CB -0.245 40.548 40.800 -0.012 0.000 0.912 496 D HN 0.182 nan 8.370 nan 0.000 0.524 497 R N 0.781 121.272 120.500 -0.015 0.000 3.407 497 R HA -0.123 4.192 4.340 -0.042 0.000 0.277 497 R C -1.131 175.163 176.300 -0.011 0.000 1.119 497 R CA 0.845 56.937 56.100 -0.013 0.000 0.750 497 R CB -2.521 27.773 30.300 -0.010 0.000 1.258 497 R HN 0.556 nan 8.270 nan 0.000 0.432 498 D N -1.518 118.874 120.400 -0.014 0.000 2.963 498 D HA 0.341 4.956 4.640 -0.042 0.000 0.361 498 D C 1.098 177.390 176.300 -0.013 0.000 1.317 498 D CA 0.051 54.045 54.000 -0.009 0.000 0.832 498 D CB 0.116 40.913 40.800 -0.005 0.000 1.135 498 D HN 0.391 nan 8.370 nan 0.000 0.476 499 G N 0.843 109.633 108.800 -0.016 0.000 5.229 499 G HA2 -0.366 3.568 3.960 -0.042 0.000 0.250 499 G HA3 -0.366 3.568 3.960 -0.042 0.000 0.250 499 G C 0.372 175.248 174.900 -0.039 0.000 1.380 499 G CA 0.200 45.288 45.100 -0.019 0.000 0.933 499 G HN 0.831 nan 8.290 nan 0.000 0.731 500 V N 3.913 123.796 119.914 -0.051 0.000 2.539 500 V HA 0.481 4.576 4.120 -0.042 0.000 0.300 500 V C 1.435 177.471 176.094 -0.097 0.000 1.019 500 V CA 1.106 63.344 62.300 -0.105 0.000 1.160 500 V CB 0.341 32.095 31.823 -0.115 0.000 0.901 500 V HN 1.683 nan 8.190 nan 0.000 0.481 501 G N 4.990 113.720 108.800 -0.117 0.000 2.712 501 G HA2 0.105 4.040 3.960 -0.042 0.000 0.258 501 G HA3 0.105 4.040 3.960 -0.042 0.000 0.258 501 G C 0.388 175.238 174.900 -0.084 0.000 1.241 501 G CA 0.289 45.336 45.100 -0.089 0.000 0.923 501 G HN 0.820 nan 8.290 nan 0.000 0.548 502 D N -0.865 119.498 120.400 -0.062 0.000 2.137 502 D HA -0.109 4.506 4.640 -0.042 0.000 0.202 502 D C 2.656 178.923 176.300 -0.055 0.000 0.970 502 D CA 0.763 54.733 54.000 -0.051 0.000 0.837 502 D CB -0.510 40.268 40.800 -0.036 0.000 0.981 502 D HN 0.125 nan 8.370 nan 0.000 0.475 503 V N 1.141 121.021 119.914 -0.058 0.000 3.140 503 V HA -0.149 3.946 4.120 -0.042 0.000 0.269 503 V C 1.441 177.497 176.094 -0.064 0.000 1.149 503 V CA 0.999 63.268 62.300 -0.052 0.000 1.162 503 V CB -1.355 30.439 31.823 -0.048 0.000 0.756 503 V HN 0.456 nan 8.190 nan 0.000 0.523 504 c N -2.658 115.887 118.600 -0.093 0.000 3.104 504 c HA 0.551 5.095 4.570 -0.042 0.000 0.206 504 c C 0.974 174.988 174.090 -0.126 0.000 1.429 504 c CA -0.810 55.454 56.329 -0.109 0.000 1.105 504 c CB -0.137 42.285 42.510 -0.147 0.000 1.904 504 c HN 0.282 nan 8.230 nan 0.000 0.626 505 Q N 2.367 122.123 119.800 -0.073 0.000 1.916 505 Q HA -0.019 4.295 4.340 -0.042 0.000 0.203 505 Q C 1.122 177.109 176.000 -0.022 0.000 0.983 505 Q CA 2.454 58.224 55.803 -0.054 0.000 0.846 505 Q CB 0.074 28.793 28.738 -0.032 0.000 0.909 505 Q HN 0.747 nan 8.270 nan 0.000 0.427 506 D N -0.324 120.077 120.400 0.001 0.000 2.342 506 D HA 0.117 4.731 4.640 -0.042 0.000 0.221 506 D C -0.862 175.467 176.300 0.049 0.000 1.101 506 D CA 0.214 54.231 54.000 0.028 0.000 0.837 506 D CB 0.457 41.270 40.800 0.022 0.000 0.938 506 D HN 0.090 nan 8.370 nan 0.000 0.508 507 D N -0.683 119.744 120.400 0.045 0.000 2.517 507 D HA 0.078 4.693 4.640 -0.042 0.000 0.263 507 D C 0.223 176.581 176.300 0.095 0.000 1.233 507 D CA -0.531 53.511 54.000 0.069 0.000 0.849 507 D CB -0.353 40.471 40.800 0.039 0.000 1.261 507 D HN -0.069 nan 8.370 nan 0.000 0.516 508 F N 1.205 121.153 119.950 -0.004 0.000 2.271 508 F HA -0.210 4.291 4.527 -0.042 0.000 0.302 508 F C 1.198 176.992 175.800 -0.011 0.000 1.063 508 F CA 1.607 59.603 58.000 -0.007 0.000 1.362 508 F CB 0.555 39.551 39.000 -0.007 0.000 1.060 508 F HN 0.283 nan 8.300 nan 0.000 0.521 509 D N -1.572 118.958 120.400 0.217 0.000 2.520 509 D HA 0.260 4.875 4.640 -0.042 0.000 0.223 509 D C 0.938 177.280 176.300 0.069 0.000 1.186 509 D CA 0.534 54.614 54.000 0.133 0.000 0.821 509 D CB -0.254 40.601 40.800 0.091 0.000 1.072 509 D HN 0.080 nan 8.370 nan 0.000 0.518 510 A N 1.548 124.401 122.820 0.056 0.000 2.826 510 A HA -0.220 4.074 4.320 -0.042 0.000 0.274 510 A C 0.794 178.396 177.584 0.030 0.000 1.443 510 A CA 1.286 53.342 52.037 0.032 0.000 0.833 510 A CB -2.386 16.626 19.000 0.021 0.000 1.023 510 A HN 0.514 nan 8.150 nan 0.000 0.600 511 D N -1.406 119.015 120.400 0.035 0.000 2.370 511 D HA 0.338 4.952 4.640 -0.042 0.000 0.230 511 D C 0.638 176.952 176.300 0.025 0.000 1.143 511 D CA 0.364 54.381 54.000 0.028 0.000 0.834 511 D CB 0.210 41.026 40.800 0.027 0.000 0.944 511 D HN 0.638 nan 8.370 nan 0.000 0.504 512 K N -1.216 119.198 120.400 0.024 0.000 3.426 512 K HA -0.165 4.129 4.320 -0.042 0.000 0.315 512 K C -1.066 175.547 176.600 0.022 0.000 1.293 512 K CA 0.963 57.262 56.287 0.020 0.000 0.955 512 K CB -1.594 30.915 32.500 0.016 0.000 1.238 512 K HN 0.230 nan 8.250 nan 0.000 0.441 513 V N 1.386 121.317 119.914 0.028 0.000 2.448 513 V HA 0.386 4.481 4.120 -0.042 0.000 0.295 513 V C 0.282 176.397 176.094 0.036 0.000 1.025 513 V CA -0.894 61.424 62.300 0.029 0.000 0.859 513 V CB 1.825 33.665 31.823 0.029 0.000 0.988 513 V HN 0.049 nan 8.190 nan 0.000 0.431 514 V N 3.844 123.777 119.914 0.032 0.000 2.673 514 V HA 0.017 4.112 4.120 -0.042 0.000 0.303 514 V C 1.451 177.572 176.094 0.045 0.000 1.046 514 V CA 0.105 62.427 62.300 0.036 0.000 1.126 514 V CB 0.313 32.153 31.823 0.028 0.000 0.934 514 V HN 0.907 nan 8.190 nan 0.000 0.487 515 D N 3.057 123.493 120.400 0.060 0.000 2.157 515 D HA -0.235 4.380 4.640 -0.042 0.000 0.191 515 D C 1.962 178.291 176.300 0.050 0.000 1.004 515 D CA 1.985 56.028 54.000 0.071 0.000 0.854 515 D CB 0.039 40.899 40.800 0.100 0.000 0.936 515 D HN 0.719 nan 8.370 nan 0.000 0.446 516 K N -0.219 120.206 120.400 0.041 0.000 2.127 516 K HA -0.173 4.122 4.320 -0.042 0.000 0.208 516 K C 1.786 178.402 176.600 0.027 0.000 1.047 516 K CA 1.186 57.491 56.287 0.031 0.000 0.927 516 K CB -0.057 32.458 32.500 0.025 0.000 0.716 516 K HN 0.091 nan 8.250 nan 0.000 0.450 517 I N -0.226 120.360 120.570 0.027 0.000 4.327 517 I HA 0.033 4.177 4.170 -0.042 0.000 0.331 517 I C -0.612 175.522 176.117 0.028 0.000 1.348 517 I CA -0.255 61.058 61.300 0.023 0.000 1.152 517 I CB 0.868 38.878 38.000 0.017 0.000 1.151 517 I HN 0.009 nan 8.210 nan 0.000 0.410 518 D N 1.015 121.435 120.400 0.034 0.000 2.342 518 D HA -0.022 4.593 4.640 -0.042 0.000 0.260 518 D C 1.608 177.937 176.300 0.047 0.000 1.278 518 D CA 0.348 54.371 54.000 0.039 0.000 0.910 518 D CB 1.289 42.112 40.800 0.039 0.000 1.079 518 D HN 0.008 nan 8.370 nan 0.000 0.496 519 V N 3.799 123.751 119.914 0.064 0.000 2.495 519 V HA -0.279 3.816 4.120 -0.042 0.000 0.260 519 V C 0.650 176.811 176.094 0.113 0.000 1.097 519 V CA 1.420 63.785 62.300 0.109 0.000 1.105 519 V CB -0.068 31.852 31.823 0.162 0.000 0.678 519 V HN 0.766 nan 8.190 nan 0.000 0.469 520 c N 0.051 118.686 118.600 0.059 0.000 3.452 520 c HA 0.359 4.904 4.570 -0.042 0.000 0.251 520 c C -1.424 172.650 174.090 -0.027 0.000 1.160 520 c CA -0.588 55.745 56.329 0.006 0.000 1.328 520 c CB 0.830 43.316 42.510 -0.040 0.000 1.819 520 c HN 0.444 nan 8.230 nan 0.000 0.543 521 P HA -0.064 nan 4.420 nan 0.000 0.230 521 P C 1.387 178.632 177.300 -0.092 0.000 1.158 521 P CA 1.307 64.393 63.100 -0.024 0.000 0.769 521 P CB 0.335 32.029 31.700 -0.010 0.000 0.807 522 E N -0.938 119.159 120.200 -0.172 0.000 2.170 522 E HA -0.012 4.313 4.350 -0.042 0.000 0.191 522 E C 0.690 177.222 176.600 -0.114 0.000 0.981 522 E CA 0.582 56.844 56.400 -0.230 0.000 0.830 522 E CB -0.477 29.075 29.700 -0.247 0.000 0.775 522 E HN 0.222 nan 8.360 nan 0.000 0.470 523 N N 0.753 119.398 118.700 -0.092 0.000 2.426 523 N HA 0.156 4.871 4.740 -0.042 0.000 0.257 523 N C 0.669 176.155 175.510 -0.041 0.000 1.002 523 N CA 0.290 53.291 53.050 -0.080 0.000 0.942 523 N CB 1.423 39.834 38.487 -0.126 0.000 1.112 523 N HN -0.086 nan 8.380 nan 0.000 0.499 524 A N 3.908 126.711 122.820 -0.027 0.000 1.879 524 A HA -0.211 4.084 4.320 -0.042 0.000 0.222 524 A C 0.960 178.543 177.584 -0.002 0.000 1.368 524 A CA 1.983 54.018 52.037 -0.004 0.000 0.707 524 A CB -0.466 18.529 19.000 -0.008 0.000 0.846 524 A HN 0.762 nan 8.150 nan 0.000 0.468 525 E N -0.260 119.933 120.200 -0.012 0.000 3.312 525 E HA 0.470 4.794 4.350 -0.042 0.000 0.215 525 E C -1.407 175.178 176.600 -0.026 0.000 1.160 525 E CA -0.462 55.933 56.400 -0.007 0.000 1.267 525 E CB -0.116 29.588 29.700 0.006 0.000 1.361 525 E HN 0.125 nan 8.360 nan 0.000 0.433 526 V N 1.954 121.847 119.914 -0.034 0.000 2.482 526 V HA 0.251 4.346 4.120 -0.042 0.000 0.295 526 V C 0.613 176.714 176.094 0.012 0.000 1.026 526 V CA -0.054 62.228 62.300 -0.029 0.000 0.856 526 V CB 1.610 33.368 31.823 -0.109 0.000 1.001 526 V HN 0.591 nan 8.190 nan 0.000 0.424 527 T N 5.496 120.074 114.554 0.039 0.000 3.111 527 T HA 0.363 4.688 4.350 -0.042 0.000 0.236 527 T C 0.331 175.066 174.700 0.058 0.000 0.984 527 T CA 0.576 62.700 62.100 0.041 0.000 1.195 527 T CB 0.227 69.113 68.868 0.031 0.000 0.929 527 T HN 0.196 nan 8.240 nan 0.000 0.431 528 L N 1.306 122.564 121.223 0.060 0.000 2.283 528 L HA 0.498 4.813 4.340 -0.042 0.000 0.259 528 L C 0.171 177.040 176.870 -0.002 0.000 1.027 528 L CA -0.633 54.227 54.840 0.032 0.000 0.828 528 L CB 0.809 42.873 42.059 0.008 0.000 1.380 528 L HN 0.083 nan 8.230 nan 0.000 0.425 529 T N 2.067 116.511 114.554 -0.182 0.000 2.758 529 T HA 0.123 4.448 4.350 -0.042 0.000 0.281 529 T C -0.408 174.162 174.700 -0.216 0.000 0.963 529 T CA 0.640 62.399 62.100 -0.569 0.000 1.201 529 T CB -0.529 67.989 68.868 -0.583 0.000 0.906 529 T HN 0.399 nan 8.240 nan 0.000 0.528 530 D N 3.015 123.337 120.400 -0.130 0.000 2.375 530 D HA 0.212 4.827 4.640 -0.042 0.000 0.241 530 D C -0.343 175.949 176.300 -0.014 0.000 1.361 530 D CA -0.703 53.300 54.000 0.005 0.000 0.995 530 D CB 0.275 41.102 40.800 0.045 0.000 1.312 530 D HN 0.336 nan 8.370 nan 0.000 0.576 531 F N 1.844 121.855 119.950 0.101 0.000 2.732 531 F HA 0.270 4.772 4.527 -0.041 0.000 0.303 531 F C 2.264 178.154 175.800 0.149 0.000 1.110 531 F CA -0.132 57.927 58.000 0.099 0.000 1.355 531 F CB 0.288 39.285 39.000 -0.005 0.000 1.081 531 F HN 0.210 nan 8.300 nan 0.000 0.565 532 R N 0.618 121.287 120.500 0.283 0.000 2.103 532 R HA -0.074 4.241 4.340 -0.042 0.000 0.242 532 R C 0.962 177.478 176.300 0.359 0.000 1.142 532 R CA 1.095 57.369 56.100 0.290 0.000 0.960 532 R CB -0.353 30.058 30.300 0.186 0.000 0.858 532 R HN 0.152 nan 8.270 nan 0.000 0.439 533 A N 1.639 124.638 122.820 0.299 0.000 2.316 533 A HA 0.406 4.701 4.320 -0.042 0.000 0.311 533 A C -0.500 177.294 177.584 0.349 0.000 1.339 533 A CA -0.492 51.728 52.037 0.304 0.000 0.960 533 A CB -0.244 18.927 19.000 0.285 0.000 1.152 533 A HN 0.285 nan 8.150 nan 0.000 0.547 534 F N 0.205 120.179 119.950 0.040 0.000 2.576 534 F HA 0.612 5.112 4.527 -0.045 0.000 0.313 534 F C -0.211 175.321 175.800 -0.445 0.000 1.078 534 F CA -1.057 56.730 58.000 -0.355 0.000 0.921 534 F CB 1.292 40.144 39.000 -0.246 0.000 1.232 534 F HN 0.463 nan 8.300 nan 0.000 0.459 535 Q N 1.309 120.665 119.800 -0.739 0.000 2.394 535 Q HA 0.306 4.621 4.340 -0.042 0.000 0.248 535 Q C -0.669 175.251 176.000 -0.134 0.000 0.992 535 Q CA 0.069 55.668 55.803 -0.339 0.000 0.888 535 Q CB 1.558 30.133 28.738 -0.271 0.000 1.257 535 Q HN 0.932 nan 8.270 nan 0.000 0.462 536 T N 0.986 115.516 114.554 -0.041 0.000 3.038 536 T HA 0.431 4.755 4.350 -0.042 0.000 0.344 536 T C -1.040 173.704 174.700 0.072 0.000 1.054 536 T CA -0.632 61.494 62.100 0.043 0.000 1.092 536 T CB 0.326 69.295 68.868 0.169 0.000 1.031 536 T HN 0.229 nan 8.240 nan 0.000 0.482 537 V N 4.978 124.898 119.914 0.010 0.000 2.481 537 V HA 0.531 4.626 4.120 -0.042 0.000 0.286 537 V C 0.230 176.370 176.094 0.076 0.000 1.042 537 V CA -0.714 61.604 62.300 0.030 0.000 0.928 537 V CB 1.718 33.510 31.823 -0.051 0.000 0.986 537 V HN 0.742 nan 8.190 nan 0.000 0.462 538 V N 6.028 125.985 119.914 0.071 0.000 2.347 538 V HA 0.237 4.331 4.120 -0.042 0.000 0.280 538 V C 0.708 176.819 176.094 0.029 0.000 1.021 538 V CA -0.312 62.026 62.300 0.063 0.000 0.847 538 V CB 1.567 33.423 31.823 0.055 0.000 0.990 538 V HN 0.658 nan 8.190 nan 0.000 0.444 539 L N 2.931 124.168 121.223 0.024 0.000 2.240 539 L HA 0.171 4.485 4.340 -0.042 0.000 0.211 539 L C 0.892 177.737 176.870 -0.042 0.000 1.106 539 L CA 1.251 56.098 54.840 0.011 0.000 0.793 539 L CB -0.617 41.462 42.059 0.034 0.000 0.927 539 L HN 0.689 nan 8.230 nan 0.000 0.446 540 D N -0.850 119.514 120.400 -0.060 0.000 2.438 540 D HA 0.244 4.859 4.640 -0.042 0.000 0.257 540 D C -1.834 174.452 176.300 -0.024 0.000 1.148 540 D CA -1.931 52.034 54.000 -0.058 0.000 0.902 540 D CB 1.603 42.351 40.800 -0.088 0.000 1.062 540 D HN -0.102 nan 8.370 nan 0.000 0.518 541 P HA -0.071 nan 4.420 nan 0.000 0.217 541 P C 0.762 178.063 177.300 0.002 0.000 1.150 541 P CA 0.637 63.727 63.100 -0.016 0.000 0.832 541 P CB 0.420 32.094 31.700 -0.044 0.000 0.787 542 E N -0.261 119.940 120.200 0.002 0.000 2.510 542 E HA 0.068 4.393 4.350 -0.042 0.000 0.202 542 E C 0.937 177.554 176.600 0.029 0.000 1.072 542 E CA 0.196 56.605 56.400 0.015 0.000 0.883 542 E CB -1.657 28.051 29.700 0.013 0.000 0.818 542 E HN 0.097 nan 8.360 nan 0.000 0.548 543 G N 2.108 110.925 108.800 0.029 0.000 2.629 543 G HA2 -0.358 3.576 3.960 -0.042 0.000 0.334 543 G HA3 -0.358 3.576 3.960 -0.042 0.000 0.334 543 G C 0.659 175.604 174.900 0.075 0.000 0.208 543 G CA 0.934 46.062 45.100 0.047 0.000 1.166 543 G HN 0.387 nan 8.290 nan 0.000 0.475 544 D N 2.705 123.167 120.400 0.104 0.000 2.205 544 D HA -0.193 4.422 4.640 -0.042 0.000 0.190 544 D C 2.569 178.967 176.300 0.162 0.000 1.002 544 D CA 2.608 56.700 54.000 0.153 0.000 0.848 544 D CB -0.211 40.726 40.800 0.229 0.000 0.975 544 D HN 0.614 nan 8.370 nan 0.000 0.449 545 A N -0.831 122.110 122.820 0.202 0.000 2.084 545 A HA -0.201 4.093 4.320 -0.042 0.000 0.221 545 A C 1.616 179.257 177.584 0.095 0.000 1.161 545 A CA 1.984 54.117 52.037 0.160 0.000 0.653 545 A CB -0.691 18.425 19.000 0.193 0.000 0.802 545 A HN 0.531 nan 8.150 nan 0.000 0.457 546 Q N -2.539 117.311 119.800 0.084 0.000 2.422 546 Q HA -0.192 4.123 4.340 -0.042 0.000 0.245 546 Q C -0.640 175.392 176.000 0.053 0.000 0.922 546 Q CA 1.327 57.166 55.803 0.059 0.000 1.192 546 Q CB -1.634 27.133 28.738 0.048 0.000 1.641 546 Q HN 0.732 nan 8.270 nan 0.000 0.552 547 I N 0.802 121.409 120.570 0.061 0.000 2.389 547 I HA 0.295 4.439 4.170 -0.042 0.000 0.288 547 I C 0.089 176.232 176.117 0.043 0.000 0.999 547 I CA -0.907 60.421 61.300 0.047 0.000 1.129 547 I CB 1.477 39.502 38.000 0.042 0.000 1.288 547 I HN -0.067 nan 8.210 nan 0.000 0.444 548 D N 8.211 128.633 120.400 0.035 0.000 2.304 548 D HA 0.222 4.836 4.640 -0.042 0.000 0.247 548 D C -2.197 174.084 176.300 -0.030 0.000 1.089 548 D CA -0.977 53.041 54.000 0.030 0.000 0.910 548 D CB 1.064 41.901 40.800 0.061 0.000 1.199 548 D HN 0.226 nan 8.370 nan 0.000 0.426 549 P HA -0.051 nan 4.420 nan 0.000 0.266 549 P C -0.339 176.728 177.300 -0.388 0.000 1.195 549 P CA -0.026 62.859 63.100 -0.359 0.000 0.768 549 P CB 0.714 32.036 31.700 -0.630 0.000 0.838 550 N N 2.801 121.280 118.700 -0.368 0.000 2.501 550 N HA 0.138 4.852 4.740 -0.042 0.000 0.245 550 N C -1.050 174.329 175.510 -0.218 0.000 0.974 550 N CA -0.574 52.372 53.050 -0.172 0.000 0.941 550 N CB 0.442 38.919 38.487 -0.017 0.000 1.122 550 N HN 0.337 nan 8.380 nan 0.000 0.507 551 W N 3.199 124.592 121.300 0.156 0.000 2.365 551 W HA 0.467 5.110 4.660 -0.030 0.000 0.316 551 W C -0.236 176.364 176.519 0.134 0.000 1.164 551 W CA -0.736 56.668 57.345 0.098 0.000 1.204 551 W CB 1.326 30.812 29.460 0.043 0.000 1.213 551 W HN 0.012 nan 8.180 nan 0.000 0.539 552 V N 3.824 123.942 119.914 0.340 0.000 2.638 552 V HA 0.408 4.502 4.120 -0.042 0.000 0.306 552 V C -0.623 175.583 176.094 0.186 0.000 1.052 552 V CA -1.130 61.320 62.300 0.249 0.000 0.885 552 V CB 1.720 33.663 31.823 0.201 0.000 0.999 552 V HN 0.250 nan 8.190 nan 0.000 0.424 553 V N 6.406 126.422 119.914 0.171 0.000 2.347 553 V HA 0.539 4.633 4.120 -0.042 0.000 0.280 553 V C -0.170 175.996 176.094 0.119 0.000 1.021 553 V CA -0.231 62.143 62.300 0.124 0.000 0.847 553 V CB 1.279 33.190 31.823 0.146 0.000 0.990 553 V HN 0.652 nan 8.190 nan 0.000 0.444 554 L N 3.199 124.485 121.223 0.104 0.000 2.299 554 L HA 0.635 4.950 4.340 -0.042 0.000 0.268 554 L C 1.065 177.982 176.870 0.079 0.000 1.012 554 L CA -0.662 54.229 54.840 0.084 0.000 0.816 554 L CB 0.591 42.692 42.059 0.070 0.000 1.355 554 L HN 0.644 nan 8.230 nan 0.000 0.457 555 N N 0.948 119.685 118.700 0.062 0.000 2.708 555 N HA -0.235 4.480 4.740 -0.042 0.000 0.251 555 N C -0.726 174.826 175.510 0.069 0.000 1.123 555 N CA 1.074 54.161 53.050 0.061 0.000 0.739 555 N CB -0.569 37.956 38.487 0.065 0.000 1.113 555 N HN 0.672 nan 8.380 nan 0.000 0.561 556 Q N -3.062 116.782 119.800 0.075 0.000 2.464 556 Q HA -0.132 4.183 4.340 -0.042 0.000 0.304 556 Q C 0.986 177.043 176.000 0.095 0.000 1.401 556 Q CA 1.837 57.688 55.803 0.079 0.000 0.806 556 Q CB -2.466 26.309 28.738 0.060 0.000 1.134 556 Q HN 1.446 nan 8.270 nan 0.000 0.411 557 G N -0.291 108.586 108.800 0.129 0.000 2.136 557 G HA2 -0.349 3.585 3.960 -0.042 0.000 0.242 557 G HA3 -0.349 3.585 3.960 -0.042 0.000 0.242 557 G C 0.593 175.616 174.900 0.204 0.000 0.989 557 G CA 0.407 45.618 45.100 0.186 0.000 0.682 557 G HN 0.420 nan 8.290 nan 0.000 0.522 558 R N -0.147 120.433 120.500 0.133 0.000 2.535 558 R HA 0.285 4.600 4.340 -0.042 0.000 0.323 558 R C 0.266 176.616 176.300 0.083 0.000 0.979 558 R CA 0.220 56.384 56.100 0.107 0.000 1.120 558 R CB 0.993 31.321 30.300 0.047 0.000 1.306 558 R HN 0.525 nan 8.270 nan 0.000 0.540 559 E N 1.173 121.427 120.200 0.091 0.000 2.304 559 E HA 0.376 4.701 4.350 -0.042 0.000 0.277 559 E C -1.391 175.273 176.600 0.107 0.000 0.898 559 E CA -0.485 55.974 56.400 0.098 0.000 0.764 559 E CB 1.617 31.369 29.700 0.088 0.000 1.216 559 E HN 0.006 nan 8.360 nan 0.000 0.419 560 I N 3.612 124.280 120.570 0.163 0.000 2.569 560 I HA 0.532 4.676 4.170 -0.042 0.000 0.296 560 I C -0.853 175.549 176.117 0.475 0.000 1.028 560 I CA -1.204 60.204 61.300 0.181 0.000 1.082 560 I CB 2.087 40.030 38.000 -0.095 0.000 1.264 560 I HN 0.306 nan 8.210 nan 0.000 0.429 561 V N 5.512 125.676 119.914 0.416 0.000 2.709 561 V HA 0.523 4.618 4.120 -0.042 0.000 0.308 561 V C -1.347 175.003 176.094 0.426 0.000 1.062 561 V CA -0.201 62.367 62.300 0.446 0.000 0.901 561 V CB 2.037 33.999 31.823 0.230 0.000 1.003 561 V HN 0.784 nan 8.190 nan 0.000 0.425 562 Q N 3.054 123.095 119.800 0.403 0.000 2.340 562 Q HA 0.473 4.787 4.340 -0.042 0.000 0.268 562 Q C 0.124 176.128 176.000 0.007 0.000 1.031 562 Q CA 0.211 56.052 55.803 0.064 0.000 0.804 562 Q CB 2.280 30.894 28.738 -0.206 0.000 1.286 562 Q HN 1.028 nan 8.270 nan 0.000 0.448 563 T N -0.311 114.217 114.554 -0.043 0.000 2.971 563 T HA 0.286 4.610 4.350 -0.042 0.000 0.252 563 T C 0.857 175.542 174.700 -0.026 0.000 1.022 563 T CA -0.219 61.876 62.100 -0.009 0.000 0.980 563 T CB 0.330 69.212 68.868 0.023 0.000 1.044 563 T HN 0.351 nan 8.240 nan 0.000 0.501 564 M N 3.030 122.592 119.600 -0.063 0.000 2.274 564 M HA 0.407 4.861 4.480 -0.042 0.000 0.344 564 M C -0.041 176.252 176.300 -0.010 0.000 1.161 564 M CA -1.011 54.266 55.300 -0.039 0.000 1.126 564 M CB 0.383 32.949 32.600 -0.055 0.000 1.522 564 M HN 0.099 nan 8.290 nan 0.000 0.461 565 N N 1.700 120.414 118.700 0.024 0.000 2.663 565 N HA 0.176 4.891 4.740 -0.042 0.000 0.250 565 N C -0.936 174.636 175.510 0.103 0.000 1.129 565 N CA -0.100 52.994 53.050 0.073 0.000 0.995 565 N CB 0.389 38.917 38.487 0.068 0.000 1.324 565 N HN 0.653 nan 8.380 nan 0.000 0.512 566 S N 1.327 117.098 115.700 0.119 0.000 2.759 566 S HA 0.487 4.932 4.470 -0.042 0.000 0.310 566 S C -0.302 174.418 174.600 0.200 0.000 1.123 566 S CA -1.037 57.230 58.200 0.111 0.000 0.959 566 S CB 1.076 64.284 63.200 0.013 0.000 1.172 566 S HN 0.285 nan 8.310 nan 0.000 0.539 567 D N 2.297 122.783 120.400 0.143 0.000 2.362 567 D HA 0.274 4.889 4.640 -0.042 0.000 0.238 567 D C -2.387 173.908 176.300 -0.009 0.000 1.212 567 D CA -0.438 53.619 54.000 0.094 0.000 0.902 567 D CB 0.100 40.928 40.800 0.047 0.000 1.180 567 D HN 0.336 nan 8.370 nan 0.000 0.445 568 P HA 0.320 nan 4.420 nan 0.000 0.275 568 P C -0.357 176.907 177.300 -0.061 0.000 1.228 568 P CA -0.300 62.614 63.100 -0.310 0.000 0.786 568 P CB 0.945 32.154 31.700 -0.818 0.000 0.927 569 G N 1.303 110.137 108.800 0.058 0.000 2.673 569 G HA2 0.609 4.543 3.960 -0.042 0.000 0.292 569 G HA3 0.609 4.543 3.960 -0.042 0.000 0.292 569 G C -2.087 173.004 174.900 0.318 0.000 1.450 569 G CA -0.673 44.549 45.100 0.203 0.000 0.837 569 G HN 0.386 nan 8.290 nan 0.000 0.505 570 L N 0.323 121.657 121.223 0.184 0.000 2.362 570 L HA 0.791 5.105 4.340 -0.042 0.000 0.271 570 L C 0.221 176.841 176.870 -0.417 0.000 1.002 570 L CA -1.184 53.598 54.840 -0.098 0.000 0.818 570 L CB 2.349 44.211 42.059 -0.327 0.000 1.298 570 L HN 0.725 nan 8.230 nan 0.000 0.420 571 A N 2.911 125.113 122.820 -1.030 0.000 2.258 571 A HA 0.724 5.018 4.320 -0.042 0.000 0.316 571 A C -0.704 176.467 177.584 -0.688 0.000 1.279 571 A CA -0.448 50.900 52.037 -1.150 0.000 0.876 571 A CB 0.988 18.675 19.000 -2.187 0.000 1.170 571 A HN 0.394 nan 8.150 nan 0.000 0.520 572 V N 2.900 122.552 119.914 -0.437 0.000 2.378 572 V HA 0.565 4.660 4.120 -0.042 0.000 0.288 572 V C 1.013 176.956 176.094 -0.252 0.000 1.016 572 V CA -0.380 61.694 62.300 -0.377 0.000 0.840 572 V CB 1.357 32.800 31.823 -0.633 0.000 0.994 572 V HN 1.093 nan 8.190 nan 0.000 0.431 573 G N 2.178 110.967 108.800 -0.019 0.000 2.491 573 G HA2 0.186 4.121 3.960 -0.042 0.000 0.242 573 G HA3 0.186 4.121 3.960 -0.042 0.000 0.242 573 G C 0.175 174.962 174.900 -0.188 0.000 1.266 573 G CA 0.118 45.151 45.100 -0.112 0.000 0.844 573 G HN 0.682 nan 8.290 nan 0.000 0.571 574 Y N 0.356 120.667 120.300 0.018 0.000 2.373 574 Y HA -0.012 4.513 4.550 -0.042 0.000 0.293 574 Y C 2.519 178.430 175.900 0.018 0.000 1.129 574 Y CA 1.194 59.312 58.100 0.031 0.000 1.226 574 Y CB -0.356 38.117 38.460 0.021 0.000 1.000 574 Y HN 0.525 nan 8.280 nan 0.000 0.549 575 T N -0.249 114.361 114.554 0.092 0.000 2.814 575 T HA 0.618 4.943 4.350 -0.042 0.000 0.297 575 T C 0.028 174.762 174.700 0.057 0.000 0.956 575 T CA -0.625 61.472 62.100 -0.005 0.000 1.123 575 T CB 1.252 70.032 68.868 -0.146 0.000 0.902 575 T HN 0.245 nan 8.240 nan 0.000 0.528 576 A N 3.536 126.365 122.820 0.015 0.000 2.301 576 A HA 0.755 5.050 4.320 -0.042 0.000 0.312 576 A C -0.637 176.973 177.584 0.044 0.000 1.182 576 A CA -0.816 51.318 52.037 0.161 0.000 0.826 576 A CB 0.221 19.326 19.000 0.176 0.000 1.134 576 A HN 0.747 nan 8.150 nan 0.000 0.501 577 F N 0.772 120.723 119.950 0.003 0.000 2.639 577 F HA 0.545 5.047 4.527 -0.042 0.000 0.339 577 F C 0.636 176.460 175.800 0.040 0.000 1.071 577 F CA -0.974 57.022 58.000 -0.007 0.000 0.994 577 F CB 1.748 40.729 39.000 -0.033 0.000 1.341 577 F HN 0.616 nan 8.300 nan 0.000 0.498 578 N N 0.301 119.129 118.700 0.213 0.000 2.666 578 N HA 0.440 5.154 4.740 -0.042 0.000 0.253 578 N C -0.705 174.815 175.510 0.016 0.000 1.621 578 N CA -0.368 52.741 53.050 0.099 0.000 0.785 578 N CB 1.154 39.683 38.487 0.069 0.000 1.332 578 N HN 0.922 nan 8.380 nan 0.000 0.514 579 G N -0.354 108.463 108.800 0.027 0.000 2.486 579 G HA2 0.245 4.180 3.960 -0.042 0.000 0.220 579 G HA3 0.245 4.180 3.960 -0.042 0.000 0.220 579 G C -1.987 172.971 174.900 0.097 0.000 1.313 579 G CA -0.285 44.806 45.100 -0.015 0.000 1.187 579 G HN 0.542 nan 8.290 nan 0.000 0.599 580 V N 1.344 121.305 119.914 0.078 0.000 2.925 580 V HA 0.848 4.943 4.120 -0.042 0.000 0.311 580 V C -1.562 174.575 176.094 0.070 0.000 1.104 580 V CA -0.950 61.400 62.300 0.083 0.000 0.954 580 V CB 2.482 34.230 31.823 -0.124 0.000 1.022 580 V HN 0.522 nan 8.190 nan 0.000 0.427 581 D N 5.323 125.783 120.400 0.099 0.000 2.454 581 D HA 0.422 5.037 4.640 -0.042 0.000 0.247 581 D C -1.286 175.117 176.300 0.172 0.000 1.129 581 D CA 0.257 54.328 54.000 0.117 0.000 0.877 581 D CB 1.225 42.089 40.800 0.106 0.000 1.082 581 D HN 0.411 nan 8.370 nan 0.000 0.537 582 F N 2.866 122.793 119.950 -0.039 0.000 2.482 582 F HA 0.526 5.026 4.527 -0.043 0.000 0.331 582 F C -0.682 175.024 175.800 -0.156 0.000 1.115 582 F CA -0.929 57.052 58.000 -0.031 0.000 0.955 582 F CB 1.271 40.273 39.000 0.003 0.000 1.136 582 F HN 0.241 nan 8.300 nan 0.000 0.452 583 E N 3.996 123.722 120.200 -0.790 0.000 2.366 583 E HA 0.795 5.120 4.350 -0.042 0.000 0.278 583 E C -1.407 174.212 176.600 -1.635 0.000 0.923 583 E CA -1.328 54.229 56.400 -1.404 0.000 0.761 583 E CB 2.019 30.897 29.700 -1.369 0.000 1.231 583 E HN 0.939 nan 8.360 nan 0.000 0.443 584 G N 0.466 107.748 108.800 -2.530 0.000 2.646 584 G HA2 0.461 4.396 3.960 -0.042 0.000 0.291 584 G HA3 0.461 4.396 3.960 -0.042 0.000 0.291 584 G C -1.284 172.724 174.900 -1.486 0.000 1.445 584 G CA -0.770 43.125 45.100 -2.009 0.000 0.814 584 G HN 0.346 nan 8.290 nan 0.000 0.495 585 T N 1.562 115.760 114.554 -0.594 0.000 2.762 585 T HA 0.383 4.708 4.350 -0.042 0.000 0.303 585 T C -0.699 174.147 174.700 0.243 0.000 0.977 585 T CA -0.064 61.969 62.100 -0.110 0.000 0.961 585 T CB 0.243 69.065 68.868 -0.076 0.000 0.944 585 T HN 0.442 nan 8.240 nan 0.000 0.481 586 F N 5.420 125.612 119.950 0.403 0.000 2.420 586 F HA 0.466 4.967 4.527 -0.044 0.000 0.352 586 F C -0.113 175.843 175.800 0.260 0.000 1.108 586 F CA -0.954 57.290 58.000 0.406 0.000 1.162 586 F CB 0.357 39.733 39.000 0.626 0.000 1.118 586 F HN 0.520 nan 8.300 nan 0.000 0.510 587 H N 6.084 124.820 119.070 -0.557 0.000 3.017 587 H HA 0.362 4.891 4.556 -0.044 0.000 0.340 587 H C -1.754 173.187 175.328 -0.646 0.000 1.014 587 H CA -0.557 55.114 56.048 -0.627 0.000 1.341 587 H CB 1.797 31.385 29.762 -0.290 0.000 1.739 587 H HN 0.668 nan 8.280 nan 0.000 0.506 588 V N 5.853 125.261 119.914 -0.842 0.000 2.318 588 V HA 0.254 4.349 4.120 -0.042 0.000 0.271 588 V C -0.206 175.712 176.094 -0.294 0.000 1.030 588 V CA -0.569 61.382 62.300 -0.581 0.000 0.844 588 V CB 0.637 31.896 31.823 -0.939 0.000 1.015 588 V HN 0.714 nan 8.190 nan 0.000 0.460 589 N N 5.217 123.898 118.700 -0.031 0.000 3.178 589 N HA 0.311 5.026 4.740 -0.042 0.000 0.300 589 N C -0.377 175.137 175.510 0.007 0.000 1.242 589 N CA 0.772 53.867 53.050 0.076 0.000 1.192 589 N CB -0.246 38.288 38.487 0.080 0.000 1.463 589 N HN 0.989 nan 8.380 nan 0.000 0.539 590 T N -1.092 113.455 114.554 -0.012 0.000 2.983 590 T HA 0.073 4.398 4.350 -0.042 0.000 0.357 590 T C 0.829 175.547 174.700 0.030 0.000 1.830 590 T CA -0.212 61.893 62.100 0.008 0.000 1.080 590 T CB -0.233 68.642 68.868 0.011 0.000 1.675 590 T HN -0.068 nan 8.240 nan 0.000 0.497 591 V N 0.889 120.819 119.914 0.027 0.000 2.407 591 V HA 0.218 4.313 4.120 -0.042 0.000 0.245 591 V C 1.862 177.984 176.094 0.048 0.000 1.041 591 V CA 1.651 63.972 62.300 0.035 0.000 1.040 591 V CB -1.815 30.014 31.823 0.009 0.000 0.671 591 V HN 1.194 nan 8.190 nan 0.000 0.455 592 T N 0.376 114.950 114.554 0.034 0.000 2.934 592 T HA 0.285 4.610 4.350 -0.042 0.000 0.306 592 T C 0.152 174.888 174.700 0.060 0.000 1.042 592 T CA 0.661 62.778 62.100 0.029 0.000 1.145 592 T CB -0.109 68.768 68.868 0.014 0.000 0.982 592 T HN 0.750 nan 8.240 nan 0.000 0.544 593 D N 1.878 122.303 120.400 0.042 0.000 6.629 593 D HA -0.143 4.471 4.640 -0.042 0.000 0.321 593 D C -0.619 175.713 176.300 0.053 0.000 2.556 593 D CA 1.466 55.503 54.000 0.062 0.000 1.570 593 D CB -0.582 40.283 40.800 0.108 0.000 1.139 593 D HN 1.067 nan 8.370 nan 0.000 1.246 594 D N -0.807 119.613 120.400 0.034 0.000 3.964 594 D HA 0.175 4.790 4.640 -0.042 0.000 0.269 594 D C -0.543 175.646 176.300 -0.187 0.000 1.500 594 D CA -0.333 53.549 54.000 -0.197 0.000 0.770 594 D CB -0.481 40.145 40.800 -0.290 0.000 1.356 594 D HN 0.197 nan 8.370 nan 0.000 0.755 595 D N -0.197 120.244 120.400 0.070 0.000 2.494 595 D HA 0.261 4.875 4.640 -0.042 0.000 0.256 595 D C -0.224 176.103 176.300 0.045 0.000 1.197 595 D CA -0.339 53.630 54.000 -0.053 0.000 1.096 595 D CB 0.280 41.166 40.800 0.143 0.000 1.191 595 D HN 0.029 nan 8.370 nan 0.000 0.608 596 Y N -0.077 120.278 120.300 0.091 0.000 2.313 596 Y HA 0.481 5.005 4.550 -0.044 0.000 0.332 596 Y C 0.338 176.326 175.900 0.147 0.000 1.071 596 Y CA -0.492 57.689 58.100 0.135 0.000 1.169 596 Y CB 1.394 39.904 38.460 0.083 0.000 1.192 596 Y HN 0.220 nan 8.280 nan 0.000 0.487 597 A N 2.310 125.352 122.820 0.370 0.000 2.469 597 A HA 0.962 5.256 4.320 -0.042 0.000 0.299 597 A C -0.357 177.383 177.584 0.260 0.000 1.098 597 A CA -0.039 52.113 52.037 0.193 0.000 0.737 597 A CB 1.668 20.612 19.000 -0.093 0.000 1.312 597 A HN 0.868 nan 8.150 nan 0.000 0.414 598 G N -0.950 108.108 108.800 0.430 0.000 2.561 598 G HA2 0.729 4.664 3.960 -0.042 0.000 0.310 598 G HA3 0.729 4.664 3.960 -0.042 0.000 0.310 598 G C -1.153 173.970 174.900 0.371 0.000 1.292 598 G CA 0.091 45.373 45.100 0.304 0.000 0.811 598 G HN 1.708 nan 8.290 nan 0.000 0.482 599 F N -1.755 118.212 119.950 0.028 0.000 2.675 599 F HA 0.913 5.414 4.527 -0.044 0.000 0.324 599 F C -1.046 174.819 175.800 0.109 0.000 1.106 599 F CA -1.618 56.372 58.000 -0.016 0.000 0.970 599 F CB 1.691 40.528 39.000 -0.272 0.000 1.385 599 F HN 0.466 nan 8.300 nan 0.000 0.489 600 I N 1.665 122.491 120.570 0.426 0.000 2.619 600 I HA 0.550 4.695 4.170 -0.042 0.000 0.292 600 I C -1.452 174.924 176.117 0.433 0.000 1.100 600 I CA -0.729 60.712 61.300 0.236 0.000 1.043 600 I CB 2.328 40.299 38.000 -0.047 0.000 1.239 600 I HN 0.744 nan 8.210 nan 0.000 0.420 601 F N 2.601 122.697 119.950 0.243 0.000 2.643 601 F HA 0.793 5.295 4.527 -0.043 0.000 0.314 601 F C 0.711 176.688 175.800 0.296 0.000 1.096 601 F CA -0.935 57.191 58.000 0.210 0.000 0.953 601 F CB 1.471 40.582 39.000 0.184 0.000 1.345 601 F HN 0.577 nan 8.300 nan 0.000 0.468 602 G N 0.758 109.809 108.800 0.419 0.000 2.273 602 G HA2 -0.351 3.583 3.960 -0.042 0.000 0.280 602 G HA3 -0.351 3.583 3.960 -0.042 0.000 0.280 602 G C -0.697 174.357 174.900 0.255 0.000 1.047 602 G CA 0.327 45.663 45.100 0.393 0.000 0.869 602 G HN 1.133 nan 8.290 nan 0.000 0.502 603 Y N 0.425 120.810 120.300 0.142 0.000 2.436 603 Y HA 0.435 4.960 4.550 -0.041 0.000 0.336 603 Y C 1.350 177.301 175.900 0.084 0.000 1.049 603 Y CA 0.502 58.663 58.100 0.101 0.000 1.294 603 Y CB 0.766 39.225 38.460 -0.001 0.000 1.179 603 Y HN 0.350 nan 8.280 nan 0.000 0.520 604 Q N 3.084 122.595 119.800 -0.481 0.000 2.431 604 Q HA 0.183 4.498 4.340 -0.042 0.000 0.244 604 Q C -0.862 174.795 176.000 -0.570 0.000 0.880 604 Q CA 0.530 56.101 55.803 -0.387 0.000 0.954 604 Q CB 0.913 29.507 28.738 -0.240 0.000 1.105 604 Q HN 0.863 nan 8.270 nan 0.000 0.558 605 D N -2.655 117.190 120.400 -0.925 0.000 2.742 605 D HA -0.015 4.599 4.640 -0.042 0.000 0.262 605 D C 0.058 176.126 176.300 -0.386 0.000 1.240 605 D CA -0.166 53.483 54.000 -0.584 0.000 0.752 605 D CB 0.258 40.899 40.800 -0.264 0.000 1.290 605 D HN -0.105 nan 8.370 nan 0.000 0.420 606 S N -0.538 115.169 115.700 0.012 0.000 2.520 606 S HA -0.129 4.315 4.470 -0.042 0.000 0.249 606 S C 0.950 175.713 174.600 0.272 0.000 0.983 606 S CA 1.205 59.562 58.200 0.261 0.000 0.958 606 S CB -0.563 62.711 63.200 0.123 0.000 0.750 606 S HN 0.425 nan 8.310 nan 0.000 0.527 607 S N 0.075 115.809 115.700 0.057 0.000 2.666 607 S HA 0.313 4.758 4.470 -0.042 0.000 0.239 607 S C -0.022 174.405 174.600 -0.288 0.000 1.031 607 S CA -0.532 57.614 58.200 -0.091 0.000 1.015 607 S CB 0.711 63.858 63.200 -0.088 0.000 0.981 607 S HN 0.395 nan 8.310 nan 0.000 0.547 608 S N 2.472 118.016 115.700 -0.261 0.000 2.652 608 S HA 0.717 5.162 4.470 -0.042 0.000 0.252 608 S C -0.787 173.640 174.600 -0.288 0.000 1.219 608 S CA -0.810 57.173 58.200 -0.363 0.000 1.151 608 S CB 0.264 63.303 63.200 -0.269 0.000 1.080 608 S HN 0.459 nan 8.310 nan 0.000 0.481 609 F N -1.062 118.659 119.950 -0.382 0.000 2.773 609 F HA 0.698 5.200 4.527 -0.042 0.000 0.314 609 F C -1.843 173.596 175.800 -0.602 0.000 1.160 609 F CA -1.733 56.051 58.000 -0.359 0.000 0.920 609 F CB 0.616 39.598 39.000 -0.030 0.000 1.323 609 F HN 0.219 nan 8.300 nan 0.000 0.457 610 Y N 0.763 120.906 120.300 -0.262 0.000 2.387 610 Y HA 0.747 5.272 4.550 -0.043 0.000 0.330 610 Y C -0.247 175.415 175.900 -0.396 0.000 1.133 610 Y CA -1.078 56.660 58.100 -0.603 0.000 1.152 610 Y CB 1.998 39.600 38.460 -1.429 0.000 1.215 610 Y HN 0.528 nan 8.280 nan 0.000 0.466 611 V N 2.575 122.380 119.914 -0.181 0.000 2.760 611 V HA 0.450 4.544 4.120 -0.042 0.000 0.309 611 V C -0.908 175.042 176.094 -0.239 0.000 1.077 611 V CA -1.044 61.127 62.300 -0.215 0.000 0.910 611 V CB 1.810 33.434 31.823 -0.331 0.000 1.008 611 V HN 0.474 nan 8.190 nan 0.000 0.424 612 V N 5.143 124.806 119.914 -0.418 0.000 2.398 612 V HA 0.547 4.642 4.120 -0.042 0.000 0.286 612 V C 0.006 175.960 176.094 -0.235 0.000 1.026 612 V CA -0.183 61.888 62.300 -0.383 0.000 0.868 612 V CB 1.415 32.768 31.823 -0.785 0.000 0.982 612 V HN 0.856 nan 8.190 nan 0.000 0.443 613 M N 3.741 123.299 119.600 -0.069 0.000 2.705 613 M HA 0.599 5.054 4.480 -0.042 0.000 0.311 613 M C -1.390 175.090 176.300 0.300 0.000 1.214 613 M CA -0.430 54.974 55.300 0.172 0.000 0.920 613 M CB 2.626 35.306 32.600 0.133 0.000 1.687 613 M HN 0.667 nan 8.290 nan 0.000 0.481 614 W N 2.342 123.783 121.300 0.235 0.000 3.089 614 W HA 0.452 5.088 4.660 -0.039 0.000 0.333 614 W C -1.453 175.235 176.519 0.281 0.000 1.053 614 W CA -1.246 56.203 57.345 0.173 0.000 1.257 614 W CB 1.149 30.662 29.460 0.087 0.000 1.281 614 W HN 0.484 nan 8.180 nan 0.000 0.427 615 K N 2.434 122.894 120.400 0.100 0.000 2.098 615 K HA 0.254 4.549 4.320 -0.042 0.000 0.261 615 K C 1.064 177.197 176.600 -0.778 0.000 0.987 615 K CA -0.072 55.907 56.287 -0.514 0.000 0.916 615 K CB 1.748 33.548 32.500 -1.168 0.000 1.039 615 K HN 0.570 nan 8.250 nan 0.000 0.455 616 Q N 2.494 121.561 119.800 -1.222 0.000 2.163 616 Q HA 0.074 4.388 4.340 -0.042 0.000 0.198 616 Q C -0.262 175.277 176.000 -0.768 0.000 0.954 616 Q CA 0.827 55.726 55.803 -1.508 0.000 0.851 616 Q CB 0.399 27.867 28.738 -2.115 0.000 0.928 616 Q HN 0.471 nan 8.270 nan 0.000 0.459 617 M N 1.344 120.597 119.600 -0.578 0.000 2.457 617 M HA 0.323 4.777 4.480 -0.042 0.000 0.300 617 M C -1.089 175.048 176.300 -0.271 0.000 1.141 617 M CA -0.468 54.618 55.300 -0.356 0.000 0.901 617 M CB 2.124 34.559 32.600 -0.277 0.000 1.687 617 M HN 0.074 nan 8.290 nan 0.000 0.449 618 E N 2.399 122.492 120.200 -0.179 0.000 2.529 618 E HA 0.000 4.325 4.350 -0.042 0.000 0.259 618 E C -0.470 176.120 176.600 -0.017 0.000 0.966 618 E CA 0.842 57.182 56.400 -0.100 0.000 0.937 618 E CB 0.659 30.323 29.700 -0.060 0.000 0.923 618 E HN 0.437 nan 8.360 nan 0.000 0.468 619 Q N 2.199 122.045 119.800 0.076 0.000 2.429 619 Q HA 0.104 4.418 4.340 -0.042 0.000 0.247 619 Q C -1.603 174.688 176.000 0.484 0.000 0.915 619 Q CA -0.420 55.537 55.803 0.257 0.000 0.971 619 Q CB 1.212 30.154 28.738 0.339 0.000 1.468 619 Q HN 0.378 nan 8.270 nan 0.000 0.439 620 T N 3.498 118.256 114.554 0.340 0.000 2.769 620 T HA 0.082 4.407 4.350 -0.042 0.000 0.293 620 T C -0.172 174.627 174.700 0.164 0.000 0.931 620 T CA -0.032 62.252 62.100 0.306 0.000 1.139 620 T CB -0.170 68.795 68.868 0.162 0.000 0.881 620 T HN 0.423 nan 8.240 nan 0.000 0.532 621 Y N 3.115 123.205 120.300 -0.349 0.000 2.903 621 Y HA -0.008 4.516 4.550 -0.043 0.000 0.338 621 Y C 1.063 176.606 175.900 -0.595 0.000 1.265 621 Y CA -1.117 56.269 58.100 -1.190 0.000 1.532 621 Y CB 0.337 37.666 38.460 -1.885 0.000 1.293 621 Y HN 0.876 nan 8.280 nan 0.000 0.609 622 W N 1.797 122.537 121.300 -0.932 0.000 2.699 622 W HA 0.132 4.771 4.660 -0.036 0.000 0.249 622 W C -0.005 176.248 176.519 -0.443 0.000 1.280 622 W CA -0.023 56.998 57.345 -0.539 0.000 1.345 622 W CB -0.362 28.819 29.460 -0.466 0.000 1.128 622 W HN 0.401 nan 8.180 nan 0.000 0.642 623 Q N 1.125 120.373 119.800 -0.920 0.000 2.441 623 Q HA 0.380 4.695 4.340 -0.042 0.000 0.234 623 Q C 1.201 177.092 176.000 -0.181 0.000 1.078 623 Q CA -0.137 55.449 55.803 -0.362 0.000 0.907 623 Q CB 1.374 29.957 28.738 -0.257 0.000 1.269 623 Q HN 0.305 nan 8.270 nan 0.000 0.502 624 A N 3.529 126.278 122.820 -0.118 0.000 2.167 624 A HA -0.033 4.262 4.320 -0.042 0.000 0.214 624 A C 0.714 178.251 177.584 -0.078 0.000 1.151 624 A CA 0.462 52.450 52.037 -0.082 0.000 0.735 624 A CB 0.153 19.133 19.000 -0.035 0.000 0.802 624 A HN 0.561 nan 8.150 nan 0.000 0.467 625 N N -0.195 118.458 118.700 -0.079 0.000 2.443 625 N HA 0.251 4.966 4.740 -0.042 0.000 0.295 625 N C -2.155 173.283 175.510 -0.121 0.000 1.076 625 N CA -1.630 51.382 53.050 -0.064 0.000 0.919 625 N CB 1.936 40.406 38.487 -0.028 0.000 1.176 625 N HN -0.043 nan 8.380 nan 0.000 0.487 626 P HA 0.042 nan 4.420 nan 0.000 0.229 626 P C -0.565 176.805 177.300 0.116 0.000 1.160 626 P CA 0.821 63.924 63.100 0.004 0.000 0.777 626 P CB 0.012 31.754 31.700 0.070 0.000 0.814 627 F N -3.543 116.383 119.950 -0.041 0.000 2.678 627 F HA 0.503 5.006 4.527 -0.040 0.000 0.308 627 F C -0.470 175.296 175.800 -0.057 0.000 1.118 627 F CA -1.816 56.151 58.000 -0.055 0.000 0.959 627 F CB 0.994 39.948 39.000 -0.078 0.000 1.305 627 F HN -0.479 nan 8.300 nan 0.000 0.443 628 R N 2.387 122.961 120.500 0.124 0.000 2.609 628 R HA 0.581 4.895 4.340 -0.042 0.000 0.271 628 R C -0.628 175.721 176.300 0.082 0.000 1.403 628 R CA -0.012 56.112 56.100 0.040 0.000 1.138 628 R CB -0.172 30.166 30.300 0.063 0.000 1.142 628 R HN 0.842 nan 8.270 nan 0.000 0.559 629 A N 3.947 126.756 122.820 -0.019 0.000 2.309 629 A HA 0.277 4.571 4.320 -0.042 0.000 0.290 629 A C -0.487 177.380 177.584 0.472 0.000 1.206 629 A CA -0.484 51.668 52.037 0.192 0.000 0.850 629 A CB 1.226 20.240 19.000 0.023 0.000 1.118 629 A HN 0.487 nan 8.150 nan 0.000 0.523 630 V N 2.650 123.008 119.914 0.740 0.000 2.628 630 V HA 0.804 4.898 4.120 -0.042 0.000 0.306 630 V C 0.115 176.433 176.094 0.373 0.000 1.045 630 V CA -0.075 62.547 62.300 0.536 0.000 0.905 630 V CB 1.629 33.652 31.823 0.335 0.000 0.997 630 V HN 1.362 nan 8.190 nan 0.000 0.436 631 A N 4.793 127.763 122.820 0.250 0.000 2.318 631 A HA 0.787 5.082 4.320 -0.042 0.000 0.324 631 A C -0.420 177.094 177.584 -0.116 0.000 1.170 631 A CA -0.614 51.374 52.037 -0.082 0.000 0.810 631 A CB 1.197 19.857 19.000 -0.568 0.000 1.198 631 A HN 0.920 nan 8.150 nan 0.000 0.484 632 E N 2.333 122.453 120.200 -0.133 0.000 2.280 632 E HA 0.542 4.866 4.350 -0.042 0.000 0.264 632 E C -2.252 174.245 176.600 -0.172 0.000 1.064 632 E CA -1.601 54.720 56.400 -0.132 0.000 0.900 632 E CB 1.265 30.890 29.700 -0.125 0.000 1.123 632 E HN 0.521 nan 8.360 nan 0.000 0.418 633 P HA 0.349 nan 4.420 nan 0.000 0.279 633 P C -0.790 176.495 177.300 -0.024 0.000 1.276 633 P CA -0.288 62.730 63.100 -0.136 0.000 0.801 633 P CB 0.846 32.442 31.700 -0.173 0.000 1.127 634 G N 0.036 108.952 108.800 0.192 0.000 3.338 634 G HA2 -0.080 3.854 3.960 -0.042 0.000 0.686 634 G HA3 -0.080 3.854 3.960 -0.042 0.000 0.686 634 G C -0.634 174.068 174.900 -0.331 0.000 1.053 634 G CA -0.843 44.241 45.100 -0.027 0.000 0.852 634 G HN 0.379 nan 8.290 nan 0.000 0.545 635 I N 1.634 121.716 120.570 -0.813 0.000 2.906 635 I HA 0.103 4.247 4.170 -0.042 0.000 0.302 635 I C 1.116 176.888 176.117 -0.574 0.000 1.220 635 I CA 1.203 62.012 61.300 -0.818 0.000 1.441 635 I CB 0.372 37.702 38.000 -1.117 0.000 1.336 635 I HN 0.586 nan 8.210 nan 0.000 0.565 636 Q N 5.201 124.840 119.800 -0.268 0.000 2.342 636 Q HA 0.616 4.931 4.340 -0.042 0.000 0.267 636 Q C -1.102 174.900 176.000 0.002 0.000 1.038 636 Q CA -0.962 54.727 55.803 -0.189 0.000 0.832 636 Q CB 2.685 31.343 28.738 -0.135 0.000 1.323 636 Q HN 0.440 nan 8.270 nan 0.000 0.448 637 L N 2.596 123.899 121.223 0.132 0.000 2.287 637 L HA 0.531 4.845 4.340 -0.042 0.000 0.287 637 L C -1.230 175.683 176.870 0.071 0.000 1.022 637 L CA -0.169 54.778 54.840 0.177 0.000 0.814 637 L CB 0.981 43.245 42.059 0.342 0.000 1.217 637 L HN 0.660 nan 8.230 nan 0.000 0.420 638 K N 3.401 123.799 120.400 -0.003 0.000 2.371 638 K HA 0.739 5.034 4.320 -0.042 0.000 0.251 638 K C -0.857 175.701 176.600 -0.070 0.000 0.934 638 K CA -0.629 55.624 56.287 -0.056 0.000 0.798 638 K CB 2.426 34.843 32.500 -0.140 0.000 1.204 638 K HN 0.691 nan 8.250 nan 0.000 0.427 639 A N 2.033 124.795 122.820 -0.097 0.000 2.292 639 A HA 0.529 4.823 4.320 -0.042 0.000 0.319 639 A C -0.655 176.670 177.584 -0.433 0.000 1.206 639 A CA -0.628 51.227 52.037 -0.303 0.000 0.835 639 A CB 0.744 19.633 19.000 -0.185 0.000 1.164 639 A HN 0.402 nan 8.150 nan 0.000 0.505 640 V N 2.757 122.261 119.914 -0.684 0.000 2.347 640 V HA 0.480 4.575 4.120 -0.042 0.000 0.280 640 V C -0.105 175.596 176.094 -0.655 0.000 1.021 640 V CA -0.463 61.401 62.300 -0.727 0.000 0.847 640 V CB 1.110 32.190 31.823 -1.238 0.000 0.990 640 V HN 0.841 nan 8.190 nan 0.000 0.444 641 K N 3.044 123.190 120.400 -0.424 0.000 2.701 641 K HA 0.384 4.679 4.320 -0.042 0.000 0.212 641 K C -0.457 176.006 176.600 -0.227 0.000 1.035 641 K CA 0.091 56.186 56.287 -0.319 0.000 1.048 641 K CB 1.387 33.737 32.500 -0.250 0.000 1.234 641 K HN 0.635 nan 8.250 nan 0.000 0.540 642 S N 1.780 117.350 115.700 -0.217 0.000 2.452 642 S HA 0.155 4.599 4.470 -0.042 0.000 0.284 642 S C 1.168 175.710 174.600 -0.097 0.000 1.171 642 S CA 0.025 58.139 58.200 -0.143 0.000 1.064 642 S CB 1.055 64.180 63.200 -0.125 0.000 0.967 642 S HN 0.632 nan 8.310 nan 0.000 0.484 643 S N 3.970 119.624 115.700 -0.075 0.000 2.345 643 S HA -0.141 4.304 4.470 -0.042 0.000 0.220 643 S C 2.010 176.591 174.600 -0.032 0.000 1.031 643 S CA 2.267 60.435 58.200 -0.053 0.000 0.996 643 S CB -1.085 62.086 63.200 -0.048 0.000 0.882 643 S HN 0.956 nan 8.310 nan 0.000 0.445 644 T N -1.727 112.814 114.554 -0.022 0.000 2.770 644 T HA 0.479 4.803 4.350 -0.042 0.000 0.258 644 T C 1.491 176.195 174.700 0.007 0.000 1.039 644 T CA 0.945 63.044 62.100 -0.002 0.000 1.143 644 T CB -1.312 67.560 68.868 0.007 0.000 0.866 644 T HN 1.475 nan 8.240 nan 0.000 0.428 645 G N 1.465 110.260 108.800 -0.008 0.000 2.566 645 G HA2 0.105 4.040 3.960 -0.042 0.000 0.599 645 G HA3 0.105 4.040 3.960 -0.042 0.000 0.599 645 G C -3.009 171.886 174.900 -0.008 0.000 1.292 645 G CA -0.854 44.245 45.100 -0.002 0.000 0.922 645 G HN 0.440 nan 8.290 nan 0.000 0.514 646 P HA 0.336 nan 4.420 nan 0.000 0.257 646 P C 0.767 178.043 177.300 -0.040 0.000 1.144 646 P CA 2.339 65.422 63.100 -0.028 0.000 0.761 646 P CB 0.147 31.806 31.700 -0.067 0.000 0.734 647 G N 2.208 110.987 108.800 -0.034 0.000 2.369 647 G HA2 -0.057 3.878 3.960 -0.042 0.000 0.307 647 G HA3 -0.057 3.878 3.960 -0.042 0.000 0.307 647 G C 0.431 175.311 174.900 -0.034 0.000 1.327 647 G CA -0.454 44.628 45.100 -0.030 0.000 0.963 647 G HN 0.352 nan 8.290 nan 0.000 0.590 648 E N -0.571 119.612 120.200 -0.029 0.000 2.240 648 E HA -0.358 3.966 4.350 -0.042 0.000 0.236 648 E C 2.458 179.030 176.600 -0.048 0.000 1.085 648 E CA 2.473 58.847 56.400 -0.043 0.000 0.979 648 E CB -0.070 29.620 29.700 -0.017 0.000 0.845 648 E HN 0.496 nan 8.360 nan 0.000 0.483 649 Q N -0.076 119.733 119.800 0.015 0.000 1.948 649 Q HA -0.194 4.121 4.340 -0.042 0.000 0.205 649 Q C 2.419 178.478 176.000 0.099 0.000 0.992 649 Q CA 1.144 57.006 55.803 0.097 0.000 0.849 649 Q CB -0.799 27.989 28.738 0.082 0.000 0.918 649 Q HN 0.286 nan 8.270 nan 0.000 0.421 650 L N 1.402 122.650 121.223 0.042 0.000 2.129 650 L HA -0.201 4.114 4.340 -0.042 0.000 0.212 650 L C 2.471 179.353 176.870 0.019 0.000 1.087 650 L CA 1.829 56.685 54.840 0.027 0.000 0.757 650 L CB -0.531 41.528 42.059 0.000 0.000 0.896 650 L HN 0.181 nan 8.230 nan 0.000 0.434 651 R N -0.729 119.745 120.500 -0.042 0.000 2.062 651 R HA -0.160 4.155 4.340 -0.042 0.000 0.231 651 R C 2.044 178.290 176.300 -0.090 0.000 1.136 651 R CA 1.713 57.746 56.100 -0.112 0.000 0.948 651 R CB -0.296 29.885 30.300 -0.199 0.000 0.845 651 R HN 0.405 nan 8.270 nan 0.000 0.430 652 N N 0.722 119.269 118.700 -0.254 0.000 2.120 652 N HA -0.126 4.589 4.740 -0.042 0.000 0.188 652 N C 1.597 177.091 175.510 -0.026 0.000 1.024 652 N CA 1.656 54.449 53.050 -0.429 0.000 0.852 652 N CB -0.388 37.460 38.487 -1.064 0.000 1.003 652 N HN 0.353 nan 8.380 nan 0.000 0.424 653 A N 0.626 123.572 122.820 0.210 0.000 1.908 653 A HA -0.104 4.191 4.320 -0.042 0.000 0.218 653 A C 2.263 179.988 177.584 0.235 0.000 1.181 653 A CA 1.113 53.390 52.037 0.400 0.000 0.627 653 A CB -0.807 18.365 19.000 0.286 0.000 0.818 653 A HN 0.249 nan 8.150 nan 0.000 0.445 654 L N -1.818 119.504 121.223 0.165 0.000 2.056 654 L HA -0.184 4.131 4.340 -0.042 0.000 0.207 654 L C 2.608 179.554 176.870 0.127 0.000 1.078 654 L CA 1.340 56.247 54.840 0.112 0.000 0.749 654 L CB -0.457 41.699 42.059 0.162 0.000 0.901 654 L HN 0.790 nan 8.230 nan 0.000 0.433 655 W N 0.676 122.022 121.300 0.076 0.000 2.374 655 W HA -0.174 4.458 4.660 -0.046 0.000 0.288 655 W C 0.794 177.376 176.519 0.105 0.000 1.218 655 W CA 0.908 58.239 57.345 -0.023 0.000 1.245 655 W CB -0.271 29.074 29.460 -0.192 0.000 1.126 655 W HN 0.155 nan 8.180 nan 0.000 0.545 656 H N 1.219 120.468 119.070 0.299 0.000 2.690 656 H HA 0.163 4.693 4.556 -0.043 0.000 0.314 656 H C -0.336 175.062 175.328 0.118 0.000 1.069 656 H CA 0.452 56.659 56.048 0.265 0.000 1.436 656 H CB 0.966 30.935 29.762 0.345 0.000 1.462 656 H HN -0.338 nan 8.280 nan 0.000 0.511 657 T N 4.785 119.034 114.554 -0.508 0.000 2.769 657 T HA 0.458 4.782 4.350 -0.042 0.000 0.293 657 T C 0.322 174.684 174.700 -0.564 0.000 0.931 657 T CA 0.476 62.320 62.100 -0.428 0.000 1.139 657 T CB -0.020 68.669 68.868 -0.298 0.000 0.881 657 T HN 1.019 nan 8.240 nan 0.000 0.532 658 G N 3.461 112.131 108.800 -0.217 0.000 2.619 658 G HA2 -0.054 3.881 3.960 -0.042 0.000 0.686 658 G HA3 -0.054 3.881 3.960 -0.042 0.000 0.686 658 G C -1.140 173.809 174.900 0.082 0.000 1.256 658 G CA -1.236 43.831 45.100 -0.055 0.000 0.826 658 G HN 0.643 nan 8.290 nan 0.000 0.619 659 D N 0.439 120.869 120.400 0.051 0.000 2.449 659 D HA 0.469 5.083 4.640 -0.042 0.000 0.236 659 D C 0.683 176.992 176.300 0.016 0.000 1.149 659 D CA 0.987 55.001 54.000 0.023 0.000 0.878 659 D CB 0.723 41.516 40.800 -0.012 0.000 1.198 659 D HN 0.547 nan 8.370 nan 0.000 0.446 660 T N 1.200 115.733 114.554 -0.036 0.000 2.890 660 T HA 0.226 4.551 4.350 -0.042 0.000 0.295 660 T C 0.006 174.629 174.700 -0.128 0.000 0.993 660 T CA -0.832 61.185 62.100 -0.138 0.000 0.979 660 T CB 1.173 69.974 68.868 -0.113 0.000 0.967 660 T HN 0.154 nan 8.240 nan 0.000 0.441 661 E N 1.602 121.711 120.200 -0.152 0.000 2.465 661 E HA 0.136 4.461 4.350 -0.042 0.000 0.260 661 E C 0.316 176.854 176.600 -0.103 0.000 0.980 661 E CA 0.064 56.396 56.400 -0.115 0.000 0.927 661 E CB 0.251 29.884 29.700 -0.111 0.000 0.934 661 E HN 0.771 nan 8.360 nan 0.000 0.459 662 S N 1.460 117.108 115.700 -0.086 0.000 3.382 662 S HA -0.191 4.253 4.470 -0.042 0.000 0.293 662 S C 0.640 175.190 174.600 -0.084 0.000 1.262 662 S CA 1.200 59.353 58.200 -0.079 0.000 0.969 662 S CB -0.626 62.535 63.200 -0.065 0.000 1.136 662 S HN 0.578 nan 8.310 nan 0.000 0.635 663 Q N -1.433 118.311 119.800 -0.092 0.000 2.361 663 Q HA 0.555 4.870 4.340 -0.042 0.000 0.182 663 Q C 0.228 176.149 176.000 -0.132 0.000 0.650 663 Q CA 0.696 56.444 55.803 -0.092 0.000 0.842 663 Q CB 0.578 29.295 28.738 -0.035 0.000 1.211 663 Q HN 0.443 nan 8.270 nan 0.000 0.502 664 V N 0.489 120.340 119.914 -0.105 0.000 3.048 664 V HA 0.609 4.704 4.120 -0.042 0.000 0.303 664 V C -1.732 174.311 176.094 -0.085 0.000 1.214 664 V CA -0.604 61.622 62.300 -0.122 0.000 0.984 664 V CB 2.711 34.478 31.823 -0.092 0.000 1.054 664 V HN 0.274 nan 8.190 nan 0.000 0.430 665 R N 4.511 124.953 120.500 -0.095 0.000 2.533 665 R HA 0.481 4.795 4.340 -0.042 0.000 0.288 665 R C -1.695 174.581 176.300 -0.040 0.000 1.039 665 R CA -0.690 55.376 56.100 -0.057 0.000 0.909 665 R CB 1.743 32.011 30.300 -0.054 0.000 1.195 665 R HN 0.664 nan 8.270 nan 0.000 0.438 666 L N 7.568 128.775 121.223 -0.026 0.000 2.283 666 L HA 0.193 4.507 4.340 -0.042 0.000 0.287 666 L C 0.291 177.169 176.870 0.013 0.000 1.073 666 L CA 0.273 55.097 54.840 -0.025 0.000 0.822 666 L CB 0.863 42.892 42.059 -0.051 0.000 1.186 666 L HN 0.901 nan 8.230 nan 0.000 0.436 667 L N 5.391 126.648 121.223 0.058 0.000 2.298 667 L HA 0.120 4.434 4.340 -0.042 0.000 0.209 667 L C -0.018 176.962 176.870 0.183 0.000 1.084 667 L CA 0.379 55.284 54.840 0.108 0.000 0.816 667 L CB -0.021 42.116 42.059 0.129 0.000 0.967 667 L HN 0.578 nan 8.230 nan 0.000 0.460 668 W N 0.531 121.810 121.300 -0.035 0.000 3.213 668 W HA 0.509 5.143 4.660 -0.043 0.000 0.318 668 W C -1.399 175.078 176.519 -0.071 0.000 1.248 668 W CA -1.161 56.156 57.345 -0.047 0.000 1.187 668 W CB 1.267 30.703 29.460 -0.040 0.000 1.403 668 W HN -0.360 nan 8.180 nan 0.000 0.556 669 K N 3.718 123.460 120.400 -1.096 0.000 2.525 669 K HA 0.224 4.519 4.320 -0.042 0.000 0.254 669 K C -1.669 173.985 176.600 -1.576 0.000 0.934 669 K CA -0.617 54.988 56.287 -1.137 0.000 0.802 669 K CB 1.848 34.028 32.500 -0.532 0.000 1.295 669 K HN 0.501 nan 8.250 nan 0.000 0.433 670 D N 4.503 124.044 120.400 -1.433 0.000 2.343 670 D HA 0.155 4.769 4.640 -0.042 0.000 0.255 670 D C -1.799 174.244 176.300 -0.429 0.000 1.187 670 D CA -1.923 51.545 54.000 -0.887 0.000 0.875 670 D CB 1.570 41.986 40.800 -0.639 0.000 1.136 670 D HN 0.251 nan 8.370 nan 0.000 0.469 671 P HA 0.048 nan 4.420 nan 0.000 0.241 671 P C 0.712 177.959 177.300 -0.088 0.000 1.191 671 P CA 0.431 63.449 63.100 -0.136 0.000 0.771 671 P CB 0.230 31.897 31.700 -0.055 0.000 0.929 672 R N -0.587 119.867 120.500 -0.077 0.000 2.235 672 R HA -0.028 4.286 4.340 -0.042 0.000 0.213 672 R C 0.611 176.882 176.300 -0.049 0.000 1.059 672 R CA 0.379 56.457 56.100 -0.036 0.000 0.997 672 R CB -1.132 29.167 30.300 -0.002 0.000 0.884 672 R HN 0.108 nan 8.270 nan 0.000 0.462 673 N N 0.458 119.097 118.700 -0.100 0.000 2.698 673 N HA -0.165 4.550 4.740 -0.042 0.000 0.258 673 N C -1.468 174.020 175.510 -0.037 0.000 0.978 673 N CA 0.380 53.372 53.050 -0.097 0.000 0.777 673 N CB -0.409 38.022 38.487 -0.093 0.000 0.907 673 N HN -0.023 nan 8.380 nan 0.000 0.543 674 V N 0.029 119.959 119.914 0.026 0.000 2.459 674 V HA 0.717 4.812 4.120 -0.042 0.000 0.295 674 V C 1.476 177.721 176.094 0.250 0.000 1.029 674 V CA -0.399 61.960 62.300 0.098 0.000 0.874 674 V CB 1.616 33.526 31.823 0.146 0.000 0.985 674 V HN 0.358 nan 8.190 nan 0.000 0.438 675 G N 3.651 112.455 108.800 0.007 0.000 2.634 675 G HA2 0.290 4.224 3.960 -0.042 0.000 0.255 675 G HA3 0.290 4.224 3.960 -0.042 0.000 0.255 675 G C 0.008 174.585 174.900 -0.539 0.000 1.205 675 G CA -0.585 44.328 45.100 -0.312 0.000 0.884 675 G HN 0.827 nan 8.290 nan 0.000 0.549 676 W N -0.301 120.240 121.300 -1.265 0.000 2.093 676 W HA 0.516 5.148 4.660 -0.046 0.000 0.352 676 W C -0.310 175.935 176.519 -0.457 0.000 1.294 676 W CA -0.816 55.760 57.345 -1.281 0.000 1.290 676 W CB 0.348 28.866 29.460 -1.571 0.000 1.149 676 W HN 0.192 nan 8.180 nan 0.000 0.606 677 K N 1.309 121.853 120.400 0.241 0.000 2.110 677 K HA 0.093 4.387 4.320 -0.042 0.000 0.263 677 K C -0.157 176.594 176.600 0.251 0.000 0.975 677 K CA -0.816 55.577 56.287 0.176 0.000 0.895 677 K CB 0.855 33.436 32.500 0.135 0.000 1.060 677 K HN 0.249 nan 8.250 nan 0.000 0.448 678 D N 2.479 122.968 120.400 0.149 0.000 2.488 678 D HA -0.044 4.570 4.640 -0.042 0.000 0.238 678 D C -0.001 176.263 176.300 -0.059 0.000 1.138 678 D CA 0.849 54.915 54.000 0.111 0.000 0.873 678 D CB 0.570 41.403 40.800 0.054 0.000 1.183 678 D HN 0.437 nan 8.370 nan 0.000 0.458 679 K N -0.078 120.202 120.400 -0.199 0.000 3.069 679 K HA -0.270 4.025 4.320 -0.042 0.000 0.267 679 K C -0.065 176.267 176.600 -0.447 0.000 1.082 679 K CA 0.850 56.958 56.287 -0.298 0.000 0.782 679 K CB -0.733 31.731 32.500 -0.060 0.000 1.230 679 K HN 0.416 nan 8.250 nan 0.000 0.488 680 K N 0.195 120.221 120.400 -0.623 0.000 2.324 680 K HA 0.405 4.699 4.320 -0.042 0.000 0.253 680 K C -0.845 175.391 176.600 -0.608 0.000 0.932 680 K CA -0.620 55.375 56.287 -0.487 0.000 0.799 680 K CB 1.701 34.007 32.500 -0.323 0.000 1.154 680 K HN -0.019 nan 8.250 nan 0.000 0.425 681 S N 2.685 118.193 115.700 -0.319 0.000 2.513 681 S HA 0.345 4.790 4.470 -0.042 0.000 0.276 681 S C -1.265 173.148 174.600 -0.312 0.000 1.254 681 S CA -0.329 57.787 58.200 -0.140 0.000 1.053 681 S CB 0.110 63.338 63.200 0.046 0.000 0.958 681 S HN 0.410 nan 8.310 nan 0.000 0.491 682 Y N 1.185 121.579 120.300 0.157 0.000 2.485 682 Y HA 0.612 5.136 4.550 -0.044 0.000 0.345 682 Y C 0.289 176.427 175.900 0.398 0.000 0.998 682 Y CA -1.080 57.258 58.100 0.397 0.000 1.059 682 Y CB 1.385 40.282 38.460 0.729 0.000 1.234 682 Y HN 0.485 nan 8.280 nan 0.000 0.461 683 R N 2.207 123.027 120.500 0.535 0.000 2.494 683 R HA 0.481 4.796 4.340 -0.042 0.000 0.305 683 R C -1.877 174.632 176.300 0.349 0.000 0.959 683 R CA -0.692 55.579 56.100 0.285 0.000 0.864 683 R CB 1.041 31.400 30.300 0.098 0.000 1.159 683 R HN 0.748 nan 8.270 nan 0.000 0.446 684 W N 4.611 125.871 121.300 -0.067 0.000 2.606 684 W HA 0.642 5.276 4.660 -0.044 0.000 0.332 684 W C -1.943 174.335 176.519 -0.402 0.000 1.052 684 W CA -1.234 55.866 57.345 -0.408 0.000 1.223 684 W CB 0.647 29.762 29.460 -0.575 0.000 1.383 684 W HN 0.281 nan 8.180 nan 0.000 0.524 685 F N 4.703 124.579 119.950 -0.123 0.000 2.507 685 F HA 0.478 4.980 4.527 -0.042 0.000 0.328 685 F C -0.669 175.121 175.800 -0.017 0.000 1.136 685 F CA -1.077 56.856 58.000 -0.110 0.000 0.930 685 F CB 1.811 40.791 39.000 -0.034 0.000 1.166 685 F HN 0.391 nan 8.300 nan 0.000 0.436 686 L N 3.869 125.152 121.223 0.099 0.000 2.329 686 L HA 0.618 4.933 4.340 -0.042 0.000 0.279 686 L C -1.098 175.806 176.870 0.057 0.000 1.014 686 L CA -0.111 54.764 54.840 0.057 0.000 0.814 686 L CB 1.687 43.742 42.059 -0.006 0.000 1.257 686 L HN 0.618 nan 8.230 nan 0.000 0.424 687 Q N 4.203 124.035 119.800 0.053 0.000 2.325 687 Q HA 0.380 4.695 4.340 -0.042 0.000 0.270 687 Q C -1.494 174.598 176.000 0.153 0.000 1.020 687 Q CA -0.430 55.439 55.803 0.109 0.000 0.785 687 Q CB 1.756 30.599 28.738 0.176 0.000 1.259 687 Q HN 0.660 nan 8.270 nan 0.000 0.452 688 H N 2.980 122.041 119.070 -0.016 0.000 2.823 688 H HA 0.396 4.927 4.556 -0.042 0.000 0.332 688 H C -0.989 174.370 175.328 0.053 0.000 0.980 688 H CA -0.887 55.167 56.048 0.010 0.000 1.286 688 H CB 0.889 30.608 29.762 -0.071 0.000 1.541 688 H HN 0.433 nan 8.280 nan 0.000 0.521 689 R N 6.034 126.477 120.500 -0.095 0.000 2.443 689 R HA 0.186 4.500 4.340 -0.042 0.000 0.287 689 R C -2.423 173.759 176.300 -0.196 0.000 1.425 689 R CA -1.931 54.059 56.100 -0.183 0.000 1.300 689 R CB 1.259 31.449 30.300 -0.183 0.000 1.129 689 R HN 0.599 nan 8.270 nan 0.000 0.577 690 P HA -0.087 nan 4.420 nan 0.000 0.245 690 P C 0.798 178.069 177.300 -0.049 0.000 1.212 690 P CA 0.606 63.617 63.100 -0.149 0.000 0.774 690 P CB 0.509 32.120 31.700 -0.147 0.000 0.999 691 Q N 0.412 120.167 119.800 -0.074 0.000 2.230 691 Q HA -0.029 4.286 4.340 -0.042 0.000 0.202 691 Q C 1.560 177.536 176.000 -0.039 0.000 0.963 691 Q CA 1.594 57.370 55.803 -0.045 0.000 0.866 691 Q CB -1.234 27.470 28.738 -0.056 0.000 0.931 691 Q HN 0.326 nan 8.270 nan 0.000 0.452 692 V N -4.411 115.456 119.914 -0.078 0.000 3.346 692 V HA 0.585 4.680 4.120 -0.042 0.000 0.309 692 V C 1.018 177.119 176.094 0.011 0.000 1.457 692 V CA 0.112 62.369 62.300 -0.071 0.000 1.069 692 V CB 0.065 31.698 31.823 -0.317 0.000 0.944 692 V HN 0.282 nan 8.190 nan 0.000 0.449 693 G N 0.382 109.207 108.800 0.041 0.000 2.198 693 G HA2 -0.368 3.567 3.960 -0.042 0.000 0.260 693 G HA3 -0.368 3.567 3.960 -0.042 0.000 0.260 693 G C -0.153 174.830 174.900 0.138 0.000 1.025 693 G CA 0.643 45.809 45.100 0.110 0.000 0.769 693 G HN 0.954 nan 8.290 nan 0.000 0.507 694 Y N -0.169 120.116 120.300 -0.024 0.000 2.377 694 Y HA 0.605 5.130 4.550 -0.043 0.000 0.330 694 Y C 0.565 176.518 175.900 0.088 0.000 1.108 694 Y CA -0.393 57.702 58.100 -0.008 0.000 1.308 694 Y CB 0.456 38.836 38.460 -0.132 0.000 1.216 694 Y HN 0.183 nan 8.280 nan 0.000 0.518 695 I N 6.862 127.344 120.570 -0.146 0.000 2.569 695 I HA 0.425 4.570 4.170 -0.042 0.000 0.290 695 I C -1.162 174.799 176.117 -0.258 0.000 1.088 695 I CA -0.939 60.326 61.300 -0.059 0.000 1.047 695 I CB 2.073 40.042 38.000 -0.052 0.000 1.237 695 I HN 0.544 nan 8.210 nan 0.000 0.421 696 R N 5.683 126.122 120.500 -0.102 0.000 2.515 696 R HA 0.709 5.024 4.340 -0.042 0.000 0.278 696 R C -2.120 174.152 176.300 -0.047 0.000 1.107 696 R CA -0.594 55.437 56.100 -0.115 0.000 0.945 696 R CB 1.830 32.153 30.300 0.038 0.000 1.219 696 R HN 0.412 nan 8.270 nan 0.000 0.434 697 V N 1.569 121.414 119.914 -0.114 0.000 2.789 697 V HA 0.874 4.968 4.120 -0.042 0.000 0.311 697 V C -1.287 174.787 176.094 -0.034 0.000 1.073 697 V CA -0.740 61.557 62.300 -0.005 0.000 0.921 697 V CB 2.227 34.142 31.823 0.152 0.000 1.009 697 V HN 0.810 nan 8.190 nan 0.000 0.426 698 R N 3.743 124.272 120.500 0.049 0.000 2.725 698 R HA 0.795 5.109 4.340 -0.042 0.000 0.277 698 R C -1.669 174.684 176.300 0.088 0.000 0.987 698 R CA -0.281 55.872 56.100 0.088 0.000 0.901 698 R CB 2.268 32.576 30.300 0.014 0.000 1.207 698 R HN 0.751 nan 8.270 nan 0.000 0.463 699 F N 1.195 121.189 119.950 0.073 0.000 2.540 699 F HA 0.475 4.976 4.527 -0.043 0.000 0.317 699 F C -0.768 175.070 175.800 0.064 0.000 1.104 699 F CA -0.673 57.468 58.000 0.236 0.000 0.913 699 F CB 1.666 40.777 39.000 0.186 0.000 1.170 699 F HN 0.344 nan 8.300 nan 0.000 0.450 700 Y N 1.311 121.893 120.300 0.470 0.000 2.328 700 Y HA 0.244 4.769 4.550 -0.043 0.000 0.333 700 Y C -0.057 176.087 175.900 0.407 0.000 0.958 700 Y CA -1.016 57.298 58.100 0.357 0.000 1.167 700 Y CB 1.471 40.085 38.460 0.256 0.000 1.151 700 Y HN 0.493 nan 8.280 nan 0.000 0.470 701 E N 3.570 124.052 120.200 0.471 0.000 1.996 701 E HA 0.409 4.734 4.350 -0.042 0.000 0.280 701 E C 0.787 177.485 176.600 0.163 0.000 1.092 701 E CA 0.394 56.977 56.400 0.305 0.000 0.862 701 E CB 0.056 29.959 29.700 0.338 0.000 1.066 701 E HN 0.966 nan 8.360 nan 0.000 0.396 702 G N 5.665 114.515 108.800 0.084 0.000 2.564 702 G HA2 -0.297 3.638 3.960 -0.042 0.000 0.273 702 G HA3 -0.297 3.638 3.960 -0.042 0.000 0.273 702 G C -1.351 173.628 174.900 0.132 0.000 1.242 702 G CA -0.080 45.039 45.100 0.033 0.000 0.951 702 G HN 0.551 nan 8.290 nan 0.000 0.564 703 P HA -0.056 nan 4.420 nan 0.000 0.216 703 P C 0.735 178.228 177.300 0.323 0.000 1.153 703 P CA 1.593 64.800 63.100 0.178 0.000 0.858 703 P CB -0.222 31.574 31.700 0.159 0.000 0.789 704 E N 0.130 120.483 120.200 0.256 0.000 2.452 704 E HA 0.067 4.392 4.350 -0.042 0.000 0.261 704 E C 0.159 176.889 176.600 0.217 0.000 0.987 704 E CA -0.246 56.288 56.400 0.225 0.000 0.926 704 E CB 0.253 30.046 29.700 0.155 0.000 0.934 704 E HN 0.105 nan 8.360 nan 0.000 0.452 705 L N 4.968 126.186 121.223 -0.008 0.000 2.268 705 L HA 0.070 4.385 4.340 -0.042 0.000 0.289 705 L C 0.755 177.542 176.870 -0.138 0.000 1.064 705 L CA -0.364 54.200 54.840 -0.460 0.000 0.824 705 L CB 0.754 42.391 42.059 -0.702 0.000 1.202 705 L HN 0.482 nan 8.230 nan 0.000 0.433 706 V N 2.184 122.091 119.914 -0.011 0.000 2.992 706 V HA 0.533 4.628 4.120 -0.042 0.000 0.250 706 V C 0.796 176.942 176.094 0.086 0.000 1.090 706 V CA 0.754 63.111 62.300 0.094 0.000 1.101 706 V CB -0.591 31.358 31.823 0.211 0.000 0.743 706 V HN 0.772 nan 8.190 nan 0.000 0.468 707 A N -0.433 122.447 122.820 0.100 0.000 2.539 707 A HA 0.804 5.099 4.320 -0.042 0.000 0.296 707 A C -1.484 176.166 177.584 0.109 0.000 1.073 707 A CA -0.336 51.797 52.037 0.160 0.000 0.700 707 A CB 2.285 21.397 19.000 0.187 0.000 1.296 707 A HN 0.297 nan 8.150 nan 0.000 0.405 708 D N -0.692 119.734 120.400 0.044 0.000 2.615 708 D HA 0.637 5.251 4.640 -0.042 0.000 0.267 708 D C -0.690 175.340 176.300 -0.449 0.000 1.236 708 D CA 0.665 54.572 54.000 -0.154 0.000 0.839 708 D CB 2.149 42.899 40.800 -0.082 0.000 1.380 708 D HN 0.922 nan 8.370 nan 0.000 0.433 709 S N 0.325 115.656 115.700 -0.615 0.000 2.589 709 S HA 0.133 4.577 4.470 -0.042 0.000 0.210 709 S C -0.624 173.668 174.600 -0.513 0.000 0.803 709 S CA -0.878 56.730 58.200 -0.987 0.000 1.061 709 S CB -0.731 61.328 63.200 -1.902 0.000 1.637 709 S HN 0.422 nan 8.310 nan 0.000 0.462 710 N N 2.805 121.323 118.700 -0.303 0.000 1.920 710 N HA -0.027 4.688 4.740 -0.042 0.000 0.307 710 N C 1.083 176.378 175.510 -0.358 0.000 1.305 710 N CA 1.232 54.134 53.050 -0.247 0.000 0.800 710 N CB -0.127 38.265 38.487 -0.158 0.000 1.035 710 N HN 1.518 nan 8.380 nan 0.000 0.498 711 V N -1.886 117.768 119.914 -0.433 0.000 5.830 711 V HA -0.221 3.874 4.120 -0.042 0.000 0.274 711 V C -0.026 175.771 176.094 -0.494 0.000 0.632 711 V CA 0.213 62.148 62.300 -0.609 0.000 0.594 711 V CB -2.433 29.082 31.823 -0.513 0.000 0.249 711 V HN 0.358 nan 8.190 nan 0.000 0.697 712 V N 3.734 123.421 119.914 -0.380 0.000 2.479 712 V HA 0.340 4.435 4.120 -0.042 0.000 0.281 712 V C 0.604 176.601 176.094 -0.161 0.000 1.031 712 V CA 0.128 62.309 62.300 -0.199 0.000 1.038 712 V CB 1.162 32.915 31.823 -0.116 0.000 0.981 712 V HN 0.641 nan 8.190 nan 0.000 0.478 713 L N 5.959 127.159 121.223 -0.037 0.000 2.287 713 L HA 0.644 4.958 4.340 -0.042 0.000 0.287 713 L C -0.112 176.801 176.870 0.072 0.000 1.022 713 L CA 0.126 54.994 54.840 0.046 0.000 0.814 713 L CB 1.291 43.433 42.059 0.139 0.000 1.217 713 L HN 0.685 nan 8.230 nan 0.000 0.420 714 D N 0.892 121.343 120.400 0.085 0.000 2.609 714 D HA 0.206 4.820 4.640 -0.042 0.000 0.239 714 D C -0.637 175.766 176.300 0.171 0.000 1.229 714 D CA -0.197 53.880 54.000 0.128 0.000 0.808 714 D CB 2.955 43.849 40.800 0.156 0.000 1.448 714 D HN 0.401 nan 8.370 nan 0.000 0.433 715 T N -0.227 114.450 114.554 0.206 0.000 3.186 715 T HA 0.113 4.437 4.350 -0.042 0.000 0.292 715 T C 1.007 175.823 174.700 0.192 0.000 0.915 715 T CA 0.561 62.775 62.100 0.189 0.000 0.902 715 T CB 0.102 69.044 68.868 0.124 0.000 1.192 715 T HN 0.379 nan 8.240 nan 0.000 0.563 716 T N 1.666 116.350 114.554 0.217 0.000 2.962 716 T HA 0.199 4.524 4.350 -0.042 0.000 0.270 716 T C 0.303 175.030 174.700 0.045 0.000 1.088 716 T CA 0.857 62.996 62.100 0.065 0.000 1.127 716 T CB -0.149 68.673 68.868 -0.076 0.000 0.883 716 T HN 0.243 nan 8.240 nan 0.000 0.493 717 M N 1.575 121.313 119.600 0.230 0.000 2.067 717 M HA 0.312 4.767 4.480 -0.042 0.000 0.286 717 M C -0.707 175.802 176.300 0.349 0.000 0.922 717 M CA -0.355 55.081 55.300 0.228 0.000 0.937 717 M CB 2.014 34.720 32.600 0.177 0.000 1.550 717 M HN -0.154 nan 8.290 nan 0.000 0.433 718 R N 2.638 123.261 120.500 0.205 0.000 2.891 718 R HA 0.636 4.951 4.340 -0.042 0.000 0.248 718 R C 0.459 176.860 176.300 0.168 0.000 1.439 718 R CA -0.163 56.038 56.100 0.169 0.000 1.288 718 R CB -0.552 29.810 30.300 0.104 0.000 1.212 718 R HN 0.936 nan 8.270 nan 0.000 0.605 719 G N 0.337 109.286 108.800 0.248 0.000 2.796 719 G HA2 0.103 4.037 3.960 -0.042 0.000 0.571 719 G HA3 0.103 4.037 3.960 -0.042 0.000 0.571 719 G C -0.104 174.965 174.900 0.282 0.000 1.370 719 G CA -0.639 44.617 45.100 0.260 0.000 0.856 719 G HN 0.910 nan 8.290 nan 0.000 0.538 720 G N -1.153 107.819 108.800 0.287 0.000 2.350 720 G HA2 0.584 4.519 3.960 -0.042 0.000 0.282 720 G HA3 0.584 4.519 3.960 -0.042 0.000 0.282 720 G C -0.485 174.596 174.900 0.303 0.000 1.314 720 G CA 0.088 45.340 45.100 0.254 0.000 0.915 720 G HN 1.080 nan 8.290 nan 0.000 0.499 721 R N -0.832 119.842 120.500 0.291 0.000 2.553 721 R HA 0.759 5.074 4.340 -0.042 0.000 0.263 721 R C -0.157 176.220 176.300 0.130 0.000 1.066 721 R CA -0.665 55.574 56.100 0.233 0.000 1.135 721 R CB 0.914 31.347 30.300 0.221 0.000 1.148 721 R HN 0.406 nan 8.270 nan 0.000 0.558 722 L N -0.474 120.724 121.223 -0.041 0.000 2.332 722 L HA 0.758 5.072 4.340 -0.042 0.000 0.269 722 L C 0.563 177.427 176.870 -0.009 0.000 1.016 722 L CA -0.529 54.228 54.840 -0.137 0.000 0.809 722 L CB 1.932 43.649 42.059 -0.571 0.000 1.280 722 L HN 0.870 nan 8.230 nan 0.000 0.447 723 G N -0.212 108.563 108.800 -0.041 0.000 2.340 723 G HA2 0.503 4.438 3.960 -0.042 0.000 0.299 723 G HA3 0.503 4.438 3.960 -0.042 0.000 0.299 723 G C -1.680 173.102 174.900 -0.198 0.000 1.291 723 G CA -0.293 44.709 45.100 -0.163 0.000 0.841 723 G HN 0.543 nan 8.290 nan 0.000 0.500 724 V N -2.056 117.563 119.914 -0.491 0.000 2.815 724 V HA 0.911 5.006 4.120 -0.042 0.000 0.314 724 V C -0.784 175.156 176.094 -0.256 0.000 1.064 724 V CA -1.110 60.867 62.300 -0.537 0.000 0.952 724 V CB 1.726 32.683 31.823 -1.443 0.000 1.020 724 V HN 1.219 nan 8.190 nan 0.000 0.439 725 F N 3.637 123.558 119.950 -0.048 0.000 2.546 725 F HA 0.899 5.404 4.527 -0.037 0.000 0.320 725 F C -0.205 175.879 175.800 0.473 0.000 1.076 725 F CA -0.463 57.633 58.000 0.161 0.000 0.928 725 F CB 1.689 40.736 39.000 0.079 0.000 1.189 725 F HN 1.153 nan 8.300 nan 0.000 0.465 726 C N 3.546 122.525 119.300 -0.534 0.000 3.311 726 C HA 0.742 5.177 4.460 -0.042 0.000 0.325 726 C C -1.563 173.058 174.990 -0.616 0.000 1.352 726 C CA -1.492 57.225 59.018 -0.502 0.000 1.308 726 C CB 1.151 28.963 27.740 0.120 0.000 1.619 726 C HN 1.068 nan 8.230 nan 0.000 0.469 727 F N 2.020 121.747 119.950 -0.371 0.000 2.991 727 F HA 0.474 4.973 4.527 -0.046 0.000 0.355 727 F C 0.561 176.518 175.800 0.261 0.000 1.262 727 F CA 0.467 58.455 58.000 -0.020 0.000 1.127 727 F CB 1.345 40.387 39.000 0.070 0.000 1.447 727 F HN 1.240 nan 8.300 nan 0.000 0.584 728 S N 3.807 119.944 115.700 0.727 0.000 3.631 728 S HA -0.281 4.163 4.470 -0.042 0.000 0.366 728 S C -0.796 174.017 174.600 0.355 0.000 0.993 728 S CA 1.452 59.989 58.200 0.561 0.000 1.167 728 S CB -0.889 62.787 63.200 0.793 0.000 0.909 728 S HN 0.852 nan 8.310 nan 0.000 0.478 729 Q N 0.972 120.918 119.800 0.244 0.000 2.313 729 Q HA 0.480 4.795 4.340 -0.042 0.000 0.255 729 Q C -0.944 175.110 176.000 0.090 0.000 0.944 729 Q CA -0.497 55.412 55.803 0.177 0.000 0.881 729 Q CB 1.245 30.110 28.738 0.212 0.000 1.375 729 Q HN 0.642 nan 8.270 nan 0.000 0.422 730 E N 2.372 122.609 120.200 0.063 0.000 2.242 730 E HA 0.541 4.865 4.350 -0.042 0.000 0.275 730 E C -0.675 175.920 176.600 -0.008 0.000 1.002 730 E CA -0.784 55.628 56.400 0.019 0.000 0.841 730 E CB 0.804 30.517 29.700 0.022 0.000 1.109 730 E HN 0.721 nan 8.360 nan 0.000 0.394 731 N N 0.929 119.620 118.700 -0.016 0.000 2.756 731 N HA -0.139 4.576 4.740 -0.042 0.000 0.248 731 N C -0.624 174.830 175.510 -0.092 0.000 1.062 731 N CA -0.006 53.028 53.050 -0.027 0.000 0.696 731 N CB -0.911 37.566 38.487 -0.017 0.000 0.946 731 N HN 0.462 nan 8.380 nan 0.000 0.548 732 I N 0.924 121.404 120.570 -0.150 0.000 2.575 732 I HA 0.253 4.398 4.170 -0.042 0.000 0.285 732 I C 0.955 176.900 176.117 -0.287 0.000 1.085 732 I CA 0.040 61.103 61.300 -0.395 0.000 1.403 732 I CB 0.385 37.878 38.000 -0.844 0.000 1.409 732 I HN 0.089 nan 8.210 nan 0.000 0.557 733 I N 4.798 125.199 120.570 -0.282 0.000 2.389 733 I HA 0.317 4.461 4.170 -0.042 0.000 0.288 733 I C -0.731 175.358 176.117 -0.047 0.000 0.999 733 I CA -0.515 60.760 61.300 -0.042 0.000 1.129 733 I CB 1.681 39.662 38.000 -0.032 0.000 1.288 733 I HN 0.409 nan 8.210 nan 0.000 0.444 734 W N 5.725 127.165 121.300 0.233 0.000 2.294 734 W HA 0.701 5.334 4.660 -0.046 0.000 0.314 734 W C -0.218 176.370 176.519 0.116 0.000 1.044 734 W CA -0.768 56.753 57.345 0.294 0.000 1.284 734 W CB 1.822 31.491 29.460 0.348 0.000 1.231 734 W HN 0.456 nan 8.180 nan 0.000 0.419 735 A N 3.515 126.460 122.820 0.208 0.000 2.365 735 A HA 0.527 4.821 4.320 -0.042 0.000 0.318 735 A C 0.342 177.907 177.584 -0.031 0.000 1.091 735 A CA -0.605 51.475 52.037 0.073 0.000 0.763 735 A CB 1.159 20.170 19.000 0.019 0.000 1.248 735 A HN 0.709 nan 8.150 nan 0.000 0.442 736 N N 0.291 118.975 118.700 -0.027 0.000 2.783 736 N HA -0.119 4.596 4.740 -0.042 0.000 0.247 736 N C -0.603 174.802 175.510 -0.175 0.000 1.089 736 N CA 0.265 53.265 53.050 -0.083 0.000 0.690 736 N CB -1.433 36.991 38.487 -0.104 0.000 0.991 736 N HN 0.525 nan 8.380 nan 0.000 0.552 737 L N 0.235 121.392 121.223 -0.109 0.000 2.506 737 L HA 0.318 4.633 4.340 -0.042 0.000 0.281 737 L C 1.055 177.860 176.870 -0.108 0.000 1.228 737 L CA 1.174 55.950 54.840 -0.106 0.000 0.850 737 L CB 0.237 42.351 42.059 0.091 0.000 1.110 737 L HN 0.376 nan 8.230 nan 0.000 0.496 738 R N 1.718 122.152 120.500 -0.111 0.000 2.536 738 R HA 0.458 4.773 4.340 -0.042 0.000 0.269 738 R C -1.442 174.924 176.300 0.110 0.000 1.113 738 R CA -0.574 55.460 56.100 -0.110 0.000 0.948 738 R CB 1.921 32.110 30.300 -0.184 0.000 1.237 738 R HN 0.516 nan 8.270 nan 0.000 0.441 739 Y N -0.209 120.223 120.300 0.220 0.000 2.665 739 Y HA 0.809 5.334 4.550 -0.043 0.000 0.336 739 Y C -0.843 175.154 175.900 0.162 0.000 1.085 739 Y CA -1.617 56.605 58.100 0.204 0.000 1.096 739 Y CB 1.561 40.100 38.460 0.132 0.000 1.301 739 Y HN 0.426 nan 8.280 nan 0.000 0.493 740 R N -0.204 120.580 120.500 0.473 0.000 2.629 740 R HA 0.541 4.856 4.340 -0.042 0.000 0.266 740 R C -1.960 174.555 176.300 0.359 0.000 1.051 740 R CA -0.707 55.603 56.100 0.351 0.000 0.895 740 R CB 1.954 32.369 30.300 0.191 0.000 1.246 740 R HN 0.934 nan 8.270 nan 0.000 0.459 741 c N 2.136 120.909 118.600 0.287 0.000 2.576 741 c HA 0.358 4.902 4.570 -0.042 0.000 0.401 741 c C 0.130 174.286 174.090 0.111 0.000 1.314 741 c CA -0.141 56.309 56.329 0.202 0.000 1.855 741 c CB -0.628 41.914 42.510 0.053 0.000 2.537 741 c HN 0.538 nan 8.230 nan 0.000 0.578 742 N N 1.639 120.394 118.700 0.090 0.000 2.572 742 N HA 0.216 4.931 4.740 -0.042 0.000 0.287 742 N C -0.361 175.143 175.510 -0.010 0.000 1.136 742 N CA -0.203 52.864 53.050 0.030 0.000 0.900 742 N CB 1.181 39.690 38.487 0.037 0.000 1.484 742 N HN 0.606 nan 8.380 nan 0.000 0.526 743 D N -0.008 120.369 120.400 -0.038 0.000 2.423 743 D HA -0.002 4.613 4.640 -0.042 0.000 0.212 743 D C 0.158 176.404 176.300 -0.090 0.000 1.060 743 D CA 0.699 54.660 54.000 -0.065 0.000 0.872 743 D CB 0.423 41.188 40.800 -0.058 0.000 1.012 743 D HN 0.649 nan 8.370 nan 0.000 0.503 744 T N 0.601 115.109 114.554 -0.077 0.000 2.792 744 T HA 0.082 4.407 4.350 -0.042 0.000 0.286 744 T C 0.483 175.103 174.700 -0.134 0.000 0.970 744 T CA -0.286 61.765 62.100 -0.082 0.000 1.187 744 T CB -0.207 68.628 68.868 -0.055 0.000 0.915 744 T HN -0.143 nan 8.240 nan 0.000 0.529 745 I N 6.965 127.440 120.570 -0.157 0.000 2.436 745 I HA 0.241 4.386 4.170 -0.042 0.000 0.289 745 I C -1.584 174.391 176.117 -0.237 0.000 1.083 745 I CA -1.883 59.256 61.300 -0.269 0.000 1.372 745 I CB 0.199 38.038 38.000 -0.269 0.000 1.408 745 I HN 0.550 nan 8.210 nan 0.000 0.516 746 P HA -0.097 nan 4.420 nan 0.000 0.266 746 P C 0.841 178.124 177.300 -0.028 0.000 1.180 746 P CA 0.073 63.035 63.100 -0.232 0.000 0.765 746 P CB 0.578 32.039 31.700 -0.398 0.000 0.806 747 E N 1.765 121.981 120.200 0.026 0.000 2.058 747 E HA -0.261 4.064 4.350 -0.042 0.000 0.194 747 E C 0.728 177.402 176.600 0.124 0.000 0.997 747 E CA 1.765 58.206 56.400 0.068 0.000 0.801 747 E CB -0.156 29.571 29.700 0.046 0.000 0.746 747 E HN 0.577 nan 8.360 nan 0.000 0.450 748 D N -0.871 119.623 120.400 0.156 0.000 2.378 748 D HA -0.152 4.462 4.640 -0.042 0.000 0.227 748 D C 1.597 178.074 176.300 0.295 0.000 1.012 748 D CA 0.173 54.284 54.000 0.185 0.000 0.905 748 D CB -0.545 40.347 40.800 0.153 0.000 0.895 748 D HN 0.418 nan 8.370 nan 0.000 0.532 749 Y N 1.320 121.769 120.300 0.249 0.000 2.145 749 Y HA -0.192 4.333 4.550 -0.042 0.000 0.286 749 Y C 2.009 178.035 175.900 0.211 0.000 1.145 749 Y CA 1.426 59.720 58.100 0.324 0.000 1.148 749 Y CB 0.208 38.829 38.460 0.268 0.000 0.981 749 Y HN -0.136 nan 8.280 nan 0.000 0.507 750 E N -0.338 119.850 120.200 -0.020 0.000 2.158 750 E HA -0.097 4.228 4.350 -0.042 0.000 0.191 750 E C 2.105 178.665 176.600 -0.066 0.000 0.982 750 E CA 1.369 57.683 56.400 -0.143 0.000 0.823 750 E CB -0.337 29.344 29.700 -0.032 0.000 0.766 750 E HN 0.545 nan 8.360 nan 0.000 0.468 751 T N 0.947 115.514 114.554 0.022 0.000 2.607 751 T HA -0.232 4.092 4.350 -0.042 0.000 0.267 751 T C 1.768 176.487 174.700 0.031 0.000 1.049 751 T CA 1.676 63.797 62.100 0.034 0.000 1.162 751 T CB -0.618 68.292 68.868 0.070 0.000 0.863 751 T HN 0.371 nan 8.240 nan 0.000 0.424 752 H N 0.709 119.762 119.070 -0.028 0.000 2.489 752 H HA -0.037 4.494 4.556 -0.042 0.000 0.293 752 H C 2.016 177.287 175.328 -0.094 0.000 1.066 752 H CA 0.938 56.962 56.048 -0.041 0.000 1.305 752 H CB 0.174 29.931 29.762 -0.008 0.000 1.386 752 H HN 0.282 nan 8.280 nan 0.000 0.551 753 Q N 0.713 120.350 119.800 -0.271 0.000 2.165 753 Q HA -0.040 4.275 4.340 -0.042 0.000 0.197 753 Q C 2.675 178.542 176.000 -0.222 0.000 0.952 753 Q CA 0.800 56.401 55.803 -0.336 0.000 0.848 753 Q CB -0.228 28.257 28.738 -0.422 0.000 0.931 753 Q HN 0.603 nan 8.270 nan 0.000 0.470 754 L N -0.914 120.218 121.223 -0.151 0.000 2.552 754 L HA 0.182 4.497 4.340 -0.042 0.000 0.227 754 L C 2.268 179.085 176.870 -0.087 0.000 1.146 754 L CA 0.653 55.434 54.840 -0.098 0.000 0.858 754 L CB -0.127 41.894 42.059 -0.063 0.000 0.969 754 L HN -0.015 nan 8.230 nan 0.000 0.451 755 R N 0.328 120.763 120.500 -0.108 0.000 2.127 755 R HA -0.152 4.162 4.340 -0.042 0.000 0.238 755 R C 1.342 177.598 176.300 -0.073 0.000 1.134 755 R CA 1.602 57.656 56.100 -0.077 0.000 0.975 755 R CB -0.053 30.204 30.300 -0.072 0.000 0.865 755 R HN 0.495 nan 8.270 nan 0.000 0.447 756 Q N -0.015 119.724 119.800 -0.103 0.000 2.291 756 Q HA 0.227 4.541 4.340 -0.042 0.000 0.211 756 Q C -0.080 175.888 176.000 -0.052 0.000 0.925 756 Q CA 0.241 56.000 55.803 -0.074 0.000 0.949 756 Q CB 0.816 29.501 28.738 -0.089 0.000 1.015 756 Q HN 0.317 nan 8.270 nan 0.000 0.477 757 A N 0.000 122.792 122.820 -0.046 0.000 2.254 757 A HA 0.000 4.295 4.320 -0.042 0.000 0.244 757 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 757 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 757 A HN 0.000 nan 8.150 nan 0.000 0.486