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 3efo_1_B DATA FIRST_RESID 1 DATA SEQUENCE AMGXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXSPIQ VIENDRASRG GQVYATNTRG QIPPLVTTDC DATA SEQUENCE MIQDQGNASP RFIRCTTYCF PCTSDMAKQA QIPLAAVIKP FATIPSNESP DATA SEQUENCE LYLVNHGESG PVRCNRCKAY MCPFMQFIEG GRRYQCGFCN CVNDVPPFYF DATA SEQUENCE QHLDHIGRRL DHYEKPELSL GSYEYVATLD YCRKSKPPNP PAFIFMIDVS DATA SEQUENCE YSNIKNGLVK LICEELKTML EKIPKEEQEE TSAIRVGFIT YNKVLHFFNV DATA SEQUENCE KSNLAQPQMM VVTDVGEVFV PLLDGFLVNY QESQSVIHNL LDQIPDMFAD DATA SEQUENCE SNENETVFAP VIQAGMEALK AADCPGKLFI FHSSLPTAEA PGKLKNRDDK DATA SEQUENCE KLVNTDKEKI LFQPQTNVYD SLAKDCVAHG CSVTLFLFPS QYVDVASLGL DATA SEQUENCE VPQLTGGTLY KYNNFQMHLD RQQFLNDLRN DIEKKIGFDA IMRVRTSTGF DATA SEQUENCE RATDFFGGIL MNNTTDVEMA AIDCDKAVTV EFKHDDKLSE DSGALIQCAV DATA SEQUENCE LYTTISGQRR LRIHNLGLNC SSQLADLYKS CETDALINFF AKSAFKAVLH DATA SEQUENCE QPLKVIREIL VNQTAHMLAC YRKNCASPSA ASQLILPDSM KVLPVYMNCL DATA SEQUENCE LKNCVLLSRP EISTDERAYQ RQLVMTMGVA DSQLFFYPQL LPIHTLDVKS DATA SEQUENCE TMLPAAVRCS ESRLSEEGIF LLANGLHMFL WLGVSSPPEL IQGIFNVPSF DATA SEQUENCE AHINTDMTLL PEVGNPYSQQ LRMIMGIIQQ KRPYSMKLTI VKQREQPEMV DATA SEQUENCE FRQFLVEDKG XXXGSSYVDF LCCVHKEICQ LLN 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.583 177.584 -0.002 0.000 1.274 1 A CA 0.000 52.025 52.037 -0.021 0.000 0.836 1 A CB 0.000 18.994 19.000 -0.011 0.000 0.831 2 M N 2.727 122.345 119.600 0.031 0.000 2.288 2 M HA 0.659 5.141 4.480 0.003 0.000 0.334 2 M C 0.892 177.223 176.300 0.050 0.000 1.150 2 M CA 0.666 56.003 55.300 0.062 0.000 1.118 2 M CB 1.026 33.726 32.600 0.166 0.000 1.501 2 M HN 1.110 nan 8.290 nan 0.000 0.462 268 P HA 0.056 nan 4.420 nan 0.000 0.215 268 P C 1.529 178.737 177.300 -0.153 0.000 1.157 268 P CA 1.137 64.001 63.100 -0.394 0.000 0.868 268 P CB -0.070 31.101 31.700 -0.881 0.000 0.788 269 I N -1.133 119.408 120.570 -0.049 0.000 2.163 269 I HA -0.294 3.878 4.170 0.003 0.000 0.243 269 I C 2.574 178.696 176.117 0.008 0.000 1.085 269 I CA 1.482 62.803 61.300 0.035 0.000 1.347 269 I CB -0.608 37.441 38.000 0.083 0.000 1.044 269 I HN -0.040 nan 8.210 nan 0.000 0.408 270 Q N 0.892 120.685 119.800 -0.012 0.000 2.061 270 Q HA -0.160 4.182 4.340 0.003 0.000 0.204 270 Q C 2.142 178.130 176.000 -0.021 0.000 0.984 270 Q CA 1.916 57.712 55.803 -0.011 0.000 0.846 270 Q CB -0.429 28.300 28.738 -0.015 0.000 0.902 270 Q HN 0.341 nan 8.270 nan 0.000 0.421 271 V N 0.233 120.119 119.914 -0.047 0.000 2.343 271 V HA -0.241 3.880 4.120 0.003 0.000 0.247 271 V C 2.220 178.299 176.094 -0.024 0.000 1.051 271 V CA 1.769 64.040 62.300 -0.047 0.000 1.036 271 V CB -0.482 31.290 31.823 -0.086 0.000 0.654 271 V HN 0.396 nan 8.190 nan 0.000 0.451 272 I N -0.393 120.170 120.570 -0.013 0.000 2.226 272 I HA -0.249 3.923 4.170 0.003 0.000 0.245 272 I C 2.521 178.645 176.117 0.012 0.000 1.100 272 I CA 1.660 62.968 61.300 0.013 0.000 1.374 272 I CB -0.291 37.733 38.000 0.041 0.000 1.057 272 I HN 0.380 nan 8.210 nan 0.000 0.413 273 E N 0.692 120.900 120.200 0.013 0.000 2.046 273 E HA -0.174 4.178 4.350 0.003 0.000 0.190 273 E C 1.956 178.559 176.600 0.006 0.000 0.982 273 E CA 0.942 57.350 56.400 0.013 0.000 0.800 273 E CB 0.034 29.745 29.700 0.018 0.000 0.756 273 E HN 0.409 nan 8.360 nan 0.000 0.449 274 N N 1.105 119.805 118.700 0.000 0.000 2.094 274 N HA -0.205 4.537 4.740 0.003 0.000 0.191 274 N C 1.472 176.979 175.510 -0.005 0.000 1.023 274 N CA 1.481 54.530 53.050 -0.002 0.000 0.857 274 N CB -0.439 38.044 38.487 -0.007 0.000 1.013 274 N HN 0.169 nan 8.380 nan 0.000 0.426 275 D N 0.391 120.785 120.400 -0.009 0.000 2.144 275 D HA -0.008 4.634 4.640 0.003 0.000 0.200 275 D C 1.932 178.225 176.300 -0.012 0.000 0.978 275 D CA 0.741 54.732 54.000 -0.015 0.000 0.833 275 D CB 0.163 40.950 40.800 -0.022 0.000 0.961 275 D HN 0.155 nan 8.370 nan 0.000 0.470 276 R N -0.178 120.319 120.500 -0.005 0.000 2.120 276 R HA -0.022 4.319 4.340 0.003 0.000 0.234 276 R C 2.200 178.501 176.300 0.001 0.000 1.123 276 R CA 1.061 57.160 56.100 -0.001 0.000 0.975 276 R CB -0.164 30.140 30.300 0.006 0.000 0.866 276 R HN 0.150 nan 8.270 nan 0.000 0.446 277 A N 0.828 123.650 122.820 0.003 0.000 1.855 277 A HA -0.160 4.162 4.320 0.003 0.000 0.215 277 A C 2.184 179.771 177.584 0.004 0.000 1.191 277 A CA 1.837 53.877 52.037 0.005 0.000 0.613 277 A CB -0.573 18.430 19.000 0.006 0.000 0.829 277 A HN 0.413 nan 8.150 nan 0.000 0.442 278 S N -1.124 114.577 115.700 0.002 0.000 2.428 278 S HA 0.000 4.472 4.470 0.003 0.000 0.230 278 S C 1.717 176.320 174.600 0.004 0.000 1.014 278 S CA 0.943 59.145 58.200 0.003 0.000 0.957 278 S CB -0.123 63.078 63.200 0.001 0.000 0.784 278 S HN 0.549 nan 8.310 nan 0.000 0.499 279 R N 0.621 121.120 120.500 -0.003 0.000 2.469 279 R HA 0.279 4.621 4.340 0.003 0.000 0.250 279 R C 1.132 177.432 176.300 -0.001 0.000 0.909 279 R CA 0.438 56.536 56.100 -0.003 0.000 1.050 279 R CB 0.137 30.420 30.300 -0.029 0.000 1.256 279 R HN 0.438 nan 8.270 nan 0.000 0.550 280 G N -0.176 108.623 108.800 -0.002 0.000 2.636 280 G HA2 0.312 4.274 3.960 0.003 0.000 0.246 280 G HA3 0.312 4.274 3.960 0.003 0.000 0.246 280 G C 0.707 175.614 174.900 0.011 0.000 1.216 280 G CA 0.378 45.479 45.100 0.002 0.000 0.854 280 G HN 0.254 nan 8.290 nan 0.000 0.572 281 G N -0.859 107.948 108.800 0.013 0.000 2.341 281 G HA2 -0.228 3.733 3.960 0.003 0.000 0.292 281 G HA3 -0.228 3.733 3.960 0.003 0.000 0.292 281 G C 0.241 175.155 174.900 0.023 0.000 1.021 281 G CA 1.021 46.132 45.100 0.017 0.000 0.905 281 G HN 0.812 nan 8.290 nan 0.000 0.508 282 Q N -1.616 118.203 119.800 0.031 0.000 2.389 282 Q HA 0.522 4.864 4.340 0.003 0.000 0.277 282 Q C -0.342 175.696 176.000 0.064 0.000 1.082 282 Q CA -1.060 54.769 55.803 0.042 0.000 0.810 282 Q CB 2.895 31.659 28.738 0.043 0.000 1.374 282 Q HN 0.114 nan 8.270 nan 0.000 0.422 283 V N 2.411 122.363 119.914 0.063 0.000 2.470 283 V HA 0.017 4.139 4.120 0.003 0.000 0.276 283 V C -0.817 175.348 176.094 0.119 0.000 1.040 283 V CA 0.059 62.404 62.300 0.076 0.000 1.008 283 V CB -0.061 31.788 31.823 0.043 0.000 0.990 283 V HN 0.575 nan 8.190 nan 0.000 0.477 284 Y N 5.383 125.685 120.300 0.004 0.000 2.434 284 Y HA 0.631 5.183 4.550 0.003 0.000 0.341 284 Y C 0.284 176.192 175.900 0.014 0.000 0.965 284 Y CA -1.183 56.918 58.100 0.001 0.000 1.205 284 Y CB 0.743 39.197 38.460 -0.009 0.000 1.121 284 Y HN 0.671 nan 8.280 nan 0.000 0.507 285 A N 4.308 126.928 122.820 -0.334 0.000 2.252 285 A HA 0.378 4.700 4.320 0.003 0.000 0.309 285 A C 0.293 177.601 177.584 -0.461 0.000 1.285 285 A CA -0.307 51.564 52.037 -0.276 0.000 0.900 285 A CB -0.278 18.648 19.000 -0.123 0.000 1.157 285 A HN 0.827 nan 8.150 nan 0.000 0.536 286 T N 0.342 114.682 114.554 -0.356 0.000 4.104 286 T HA 0.163 4.515 4.350 0.003 0.000 0.285 286 T C 0.420 175.061 174.700 -0.098 0.000 1.346 286 T CA -0.020 61.917 62.100 -0.272 0.000 1.158 286 T CB -0.966 67.850 68.868 -0.086 0.000 1.290 286 T HN 0.707 nan 8.240 nan 0.000 0.975 287 N N 0.006 118.646 118.700 -0.100 0.000 2.332 287 N HA 0.087 4.829 4.740 0.003 0.000 0.190 287 N C 0.191 175.707 175.510 0.009 0.000 1.117 287 N CA -0.265 52.776 53.050 -0.014 0.000 0.883 287 N CB 0.181 38.666 38.487 -0.003 0.000 1.089 287 N HN 0.345 nan 8.380 nan 0.000 0.480 288 T N 0.299 114.844 114.554 -0.015 0.000 2.874 288 T HA 0.237 4.589 4.350 0.003 0.000 0.281 288 T C 0.758 175.484 174.700 0.044 0.000 0.994 288 T CA -0.674 61.435 62.100 0.015 0.000 1.015 288 T CB 2.399 71.269 68.868 0.003 0.000 1.028 288 T HN 0.076 nan 8.240 nan 0.000 0.523 289 R N 0.961 121.492 120.500 0.051 0.000 1.730 289 R HA 0.054 4.396 4.340 0.003 0.000 0.133 289 R C 2.039 178.378 176.300 0.065 0.000 0.773 289 R CA 1.053 57.188 56.100 0.059 0.000 1.633 289 R CB -1.030 29.285 30.300 0.025 0.000 0.594 289 R HN 0.769 nan 8.270 nan 0.000 0.666 290 G N 1.713 110.541 108.800 0.047 0.000 3.286 290 G HA2 -0.166 3.796 3.960 0.003 0.000 0.213 290 G HA3 -0.166 3.796 3.960 0.003 0.000 0.213 290 G C 0.155 175.119 174.900 0.107 0.000 1.274 290 G CA -0.086 45.065 45.100 0.084 0.000 1.218 290 G HN 0.503 nan 8.290 nan 0.000 0.504 291 Q N 0.147 119.995 119.800 0.080 0.000 2.263 291 Q HA 0.168 4.510 4.340 0.003 0.000 0.289 291 Q C 0.004 175.967 176.000 -0.062 0.000 1.061 291 Q CA -0.128 55.706 55.803 0.051 0.000 0.927 291 Q CB 0.324 29.099 28.738 0.061 0.000 1.154 291 Q HN 0.327 nan 8.270 nan 0.000 0.378 292 I N 8.403 128.898 120.570 -0.125 0.000 2.396 292 I HA 0.244 4.415 4.170 0.003 0.000 0.289 292 I C -1.758 174.173 176.117 -0.311 0.000 1.056 292 I CA -1.909 59.156 61.300 -0.392 0.000 1.365 292 I CB 0.748 38.634 38.000 -0.190 0.000 1.407 292 I HN 0.630 nan 8.210 nan 0.000 0.509 293 P HA 0.450 nan 4.420 nan 0.000 0.281 293 P C -2.715 174.271 177.300 -0.523 0.000 1.281 293 P CA -1.914 60.739 63.100 -0.745 0.000 0.811 293 P CB 0.256 31.569 31.700 -0.646 0.000 1.154 294 P HA 0.205 nan 4.420 nan 0.000 0.274 294 P C -0.159 177.025 177.300 -0.194 0.000 1.256 294 P CA -0.217 62.708 63.100 -0.292 0.000 0.795 294 P CB 0.262 31.804 31.700 -0.263 0.000 1.038 295 L N 0.543 121.702 121.223 -0.105 0.000 2.467 295 L HA 0.020 4.362 4.340 0.003 0.000 0.270 295 L C 1.946 178.789 176.870 -0.044 0.000 1.205 295 L CA -0.371 54.440 54.840 -0.049 0.000 0.828 295 L CB 0.253 42.303 42.059 -0.015 0.000 1.101 295 L HN 0.259 nan 8.230 nan 0.000 0.479 296 V N -1.574 118.330 119.914 -0.016 0.000 2.688 296 V HA -0.213 3.909 4.120 0.003 0.000 0.256 296 V C 2.013 178.104 176.094 -0.005 0.000 1.084 296 V CA 1.920 64.212 62.300 -0.014 0.000 1.103 296 V CB -1.401 30.425 31.823 0.004 0.000 0.688 296 V HN 1.066 nan 8.190 nan 0.000 0.480 297 T N -2.385 112.174 114.554 0.007 0.000 3.055 297 T HA 0.023 4.375 4.350 0.003 0.000 0.265 297 T C 0.882 175.585 174.700 0.006 0.000 1.111 297 T CA 0.903 63.015 62.100 0.019 0.000 1.118 297 T CB -0.764 68.127 68.868 0.040 0.000 0.909 297 T HN 0.564 nan 8.240 nan 0.000 0.501 298 T N 3.084 117.629 114.554 -0.014 0.000 2.806 298 T HA 0.290 4.642 4.350 0.003 0.000 0.290 298 T C -0.626 174.059 174.700 -0.025 0.000 0.966 298 T CA -0.601 61.487 62.100 -0.021 0.000 1.060 298 T CB 1.111 69.955 68.868 -0.040 0.000 0.927 298 T HN 0.185 nan 8.240 nan 0.000 0.485 299 D N 2.920 123.313 120.400 -0.012 0.000 2.428 299 D HA 0.363 5.004 4.640 0.003 0.000 0.221 299 D C 0.183 176.480 176.300 -0.005 0.000 1.123 299 D CA -0.196 53.799 54.000 -0.009 0.000 0.869 299 D CB 0.516 41.316 40.800 0.001 0.000 1.032 299 D HN 0.693 nan 8.370 nan 0.000 0.506 300 C N 1.076 120.372 119.300 -0.007 0.000 3.044 300 C HA 0.717 5.178 4.460 0.003 0.000 0.315 300 C C 0.060 175.065 174.990 0.025 0.000 1.320 300 C CA -1.128 57.897 59.018 0.011 0.000 1.582 300 C CB 1.364 29.111 27.740 0.012 0.000 2.039 300 C HN 0.505 nan 8.230 nan 0.000 0.466 301 M N 1.817 121.443 119.600 0.043 0.000 2.264 301 M HA 0.636 5.118 4.480 0.003 0.000 0.352 301 M C -1.357 174.992 176.300 0.080 0.000 1.173 301 M CA -0.430 54.898 55.300 0.046 0.000 1.075 301 M CB 0.788 33.410 32.600 0.037 0.000 1.621 301 M HN 0.751 nan 8.290 nan 0.000 0.457 302 I N 3.660 124.275 120.570 0.074 0.000 2.441 302 I HA 0.329 4.501 4.170 0.003 0.000 0.295 302 I C -0.569 175.590 176.117 0.069 0.000 0.994 302 I CA -0.480 60.885 61.300 0.108 0.000 1.144 302 I CB 2.018 40.092 38.000 0.122 0.000 1.314 302 I HN 0.620 nan 8.210 nan 0.000 0.445 303 Q N 5.499 125.332 119.800 0.056 0.000 2.309 303 Q HA 0.173 4.515 4.340 0.003 0.000 0.270 303 Q C 0.006 176.031 176.000 0.041 0.000 1.023 303 Q CA -0.561 55.268 55.803 0.044 0.000 0.758 303 Q CB 1.701 30.457 28.738 0.030 0.000 1.247 303 Q HN 0.696 nan 8.270 nan 0.000 0.455 304 D N 2.837 123.281 120.400 0.074 0.000 2.095 304 D HA -0.273 4.368 4.640 0.003 0.000 0.264 304 D C -0.160 176.174 176.300 0.058 0.000 1.305 304 D CA 2.248 56.301 54.000 0.088 0.000 1.096 304 D CB 0.295 41.167 40.800 0.120 0.000 1.843 304 D HN 0.911 nan 8.370 nan 0.000 0.618 305 Q N -1.989 117.859 119.800 0.079 0.000 2.498 305 Q HA -0.182 4.159 4.340 0.003 0.000 0.270 305 Q C 0.448 176.489 176.000 0.069 0.000 0.936 305 Q CA 0.965 56.817 55.803 0.082 0.000 1.078 305 Q CB -1.442 27.327 28.738 0.052 0.000 1.322 305 Q HN 0.677 nan 8.270 nan 0.000 0.582 306 G N -1.027 107.804 108.800 0.051 0.000 3.038 306 G HA2 -0.183 3.778 3.960 0.003 0.000 0.197 306 G HA3 -0.183 3.778 3.960 0.003 0.000 0.197 306 G C -0.277 174.628 174.900 0.009 0.000 1.925 306 G CA -0.156 44.954 45.100 0.017 0.000 1.405 306 G HN 0.197 nan 8.290 nan 0.000 0.524 307 N N 1.767 120.507 118.700 0.067 0.000 2.492 307 N HA 0.603 5.345 4.740 0.003 0.000 0.289 307 N C 0.410 176.007 175.510 0.144 0.000 1.133 307 N CA 0.370 53.496 53.050 0.127 0.000 0.961 307 N CB 1.711 40.295 38.487 0.163 0.000 1.186 307 N HN 0.793 nan 8.380 nan 0.000 0.493 308 A N 1.042 123.971 122.820 0.181 0.000 2.498 308 A HA 0.069 4.391 4.320 0.003 0.000 0.239 308 A C 0.803 178.537 177.584 0.251 0.000 1.068 308 A CA -0.005 52.163 52.037 0.219 0.000 0.766 308 A CB 0.046 19.167 19.000 0.201 0.000 1.003 308 A HN 0.583 nan 8.150 nan 0.000 0.497 309 S N 2.762 118.654 115.700 0.319 0.000 2.560 309 S HA 0.196 4.668 4.470 0.003 0.000 0.284 309 S C -0.922 173.782 174.600 0.174 0.000 1.327 309 S CA -0.573 57.767 58.200 0.235 0.000 1.055 309 S CB 0.422 63.709 63.200 0.144 0.000 0.868 309 S HN 0.581 nan 8.310 nan 0.000 0.506 310 P HA -0.074 nan 4.420 nan 0.000 0.231 310 P C 0.682 177.984 177.300 0.003 0.000 1.158 310 P CA 0.802 63.961 63.100 0.098 0.000 0.763 310 P CB 0.065 31.785 31.700 0.033 0.000 0.805 311 R N -1.559 118.878 120.500 -0.105 0.000 2.153 311 R HA 0.079 4.421 4.340 0.003 0.000 0.218 311 R C 2.116 178.242 176.300 -0.290 0.000 1.072 311 R CA 0.963 56.914 56.100 -0.248 0.000 0.990 311 R CB -0.434 29.610 30.300 -0.426 0.000 0.889 311 R HN 0.276 nan 8.270 nan 0.000 0.452 312 F N -0.019 119.866 119.950 -0.108 0.000 2.317 312 F HA 0.246 4.775 4.527 0.002 0.000 0.290 312 F C 1.122 176.806 175.800 -0.194 0.000 1.075 312 F CA 0.097 57.941 58.000 -0.260 0.000 1.380 312 F CB 0.673 39.300 39.000 -0.621 0.000 1.093 312 F HN -0.118 nan 8.300 nan 0.000 0.524 313 I N -0.113 120.515 120.570 0.097 0.000 2.644 313 I HA 0.406 4.578 4.170 0.003 0.000 0.291 313 I C -1.121 175.086 176.117 0.149 0.000 1.180 313 I CA -0.556 60.805 61.300 0.102 0.000 1.040 313 I CB 1.594 39.654 38.000 0.100 0.000 1.255 313 I HN -0.100 nan 8.210 nan 0.000 0.422 314 R N 5.199 125.778 120.500 0.133 0.000 2.892 314 R HA 0.822 5.164 4.340 0.003 0.000 0.265 314 R C -1.464 174.865 176.300 0.049 0.000 1.025 314 R CA -0.508 55.700 56.100 0.180 0.000 0.982 314 R CB 2.204 32.599 30.300 0.159 0.000 1.185 314 R HN 0.632 nan 8.270 nan 0.000 0.484 315 C N -0.145 119.063 119.300 -0.154 0.000 2.889 315 C HA 0.293 4.755 4.460 0.003 0.000 0.307 315 C C 1.868 176.669 174.990 -0.314 0.000 1.251 315 C CA -0.657 58.149 59.018 -0.353 0.000 1.593 315 C CB 1.987 29.334 27.740 -0.655 0.000 2.104 315 C HN 1.016 nan 8.230 nan 0.000 0.476 316 T N -1.385 113.039 114.554 -0.217 0.000 2.915 316 T HA 0.035 4.387 4.350 0.003 0.000 0.269 316 T C 0.518 175.126 174.700 -0.154 0.000 1.071 316 T CA 1.243 63.233 62.100 -0.183 0.000 1.132 316 T CB -0.259 68.437 68.868 -0.287 0.000 0.878 316 T HN 0.760 nan 8.240 nan 0.000 0.479 317 T N -0.007 114.420 114.554 -0.211 0.000 2.932 317 T HA 0.462 4.814 4.350 0.003 0.000 0.318 317 T C -1.268 173.328 174.700 -0.173 0.000 1.265 317 T CA -0.730 61.319 62.100 -0.085 0.000 1.036 317 T CB 1.605 70.437 68.868 -0.059 0.000 1.209 317 T HN 0.066 nan 8.240 nan 0.000 0.484 318 Y N 0.053 120.401 120.300 0.079 0.000 2.555 318 Y HA 0.494 5.046 4.550 0.003 0.000 0.259 318 Y C 0.801 176.711 175.900 0.016 0.000 1.179 318 Y CA -0.768 57.360 58.100 0.046 0.000 1.230 318 Y CB 0.776 39.260 38.460 0.040 0.000 1.146 318 Y HN 0.610 nan 8.280 nan 0.000 0.526 319 C N 1.650 121.046 119.300 0.159 0.000 2.571 319 C HA 0.525 4.987 4.460 0.003 0.000 0.343 319 C C -0.793 174.316 174.990 0.198 0.000 1.082 319 C CA -1.316 57.768 59.018 0.111 0.000 1.339 319 C CB -1.380 26.416 27.740 0.094 0.000 1.893 319 C HN 0.152 nan 8.230 nan 0.000 0.445 320 F N 6.607 126.446 119.950 -0.186 0.000 2.418 320 F HA 0.447 4.976 4.527 0.003 0.000 0.341 320 F C -1.405 174.330 175.800 -0.110 0.000 1.120 320 F CA -2.284 55.585 58.000 -0.217 0.000 1.232 320 F CB 0.544 39.298 39.000 -0.410 0.000 1.175 320 F HN 0.433 nan 8.300 nan 0.000 0.569 321 P HA 0.058 nan 4.420 nan 0.000 0.275 321 P C 0.381 177.772 177.300 0.151 0.000 1.227 321 P CA -0.080 63.063 63.100 0.072 0.000 0.781 321 P CB 0.985 32.699 31.700 0.023 0.000 0.906 322 C N 1.592 120.931 119.300 0.065 0.000 2.435 322 C HA -0.029 4.432 4.460 0.003 0.000 0.279 322 C C 1.679 176.653 174.990 -0.026 0.000 1.321 322 C CA 1.827 60.882 59.018 0.062 0.000 1.752 322 C CB -1.064 26.686 27.740 0.018 0.000 1.959 322 C HN 0.737 nan 8.230 nan 0.000 0.500 323 T N -4.135 110.277 114.554 -0.237 0.000 2.907 323 T HA 0.351 4.703 4.350 0.003 0.000 0.290 323 T C 0.783 174.964 174.700 -0.864 0.000 1.066 323 T CA 0.227 62.049 62.100 -0.464 0.000 1.012 323 T CB 1.390 70.137 68.868 -0.202 0.000 1.184 323 T HN -0.028 nan 8.240 nan 0.000 0.522 324 S N -0.094 115.205 115.700 -0.668 0.000 2.368 324 S HA -0.120 4.352 4.470 0.003 0.000 0.224 324 S C 1.398 175.886 174.600 -0.186 0.000 1.029 324 S CA 1.718 59.683 58.200 -0.393 0.000 0.988 324 S CB -0.927 62.200 63.200 -0.122 0.000 0.838 324 S HN 0.730 nan 8.310 nan 0.000 0.462 325 D N 0.968 121.284 120.400 -0.140 0.000 2.117 325 D HA -0.126 4.515 4.640 0.003 0.000 0.198 325 D C 1.964 178.232 176.300 -0.054 0.000 0.982 325 D CA 1.116 55.076 54.000 -0.067 0.000 0.828 325 D CB -0.341 40.431 40.800 -0.046 0.000 0.967 325 D HN 0.450 nan 8.370 nan 0.000 0.464 326 M N 1.109 120.659 119.600 -0.083 0.000 2.080 326 M HA -0.186 4.296 4.480 0.003 0.000 0.260 326 M C 2.271 178.552 176.300 -0.031 0.000 1.068 326 M CA 1.708 56.982 55.300 -0.042 0.000 1.109 326 M CB -0.014 32.554 32.600 -0.053 0.000 1.342 326 M HN -0.020 nan 8.290 nan 0.000 0.405 327 A N 0.566 123.346 122.820 -0.067 0.000 1.883 327 A HA -0.229 4.092 4.320 0.003 0.000 0.217 327 A C 2.013 179.583 177.584 -0.023 0.000 1.186 327 A CA 2.149 54.166 52.037 -0.032 0.000 0.624 327 A CB -0.702 18.323 19.000 0.042 0.000 0.822 327 A HN 0.602 nan 8.150 nan 0.000 0.444 328 K N -0.664 119.725 120.400 -0.019 0.000 2.283 328 K HA -0.128 4.194 4.320 0.003 0.000 0.202 328 K C 2.265 178.885 176.600 0.034 0.000 1.048 328 K CA 1.256 57.537 56.287 -0.011 0.000 0.948 328 K CB -0.120 32.375 32.500 -0.009 0.000 0.742 328 K HN 0.634 nan 8.250 nan 0.000 0.458 329 Q N 0.209 120.050 119.800 0.068 0.000 1.965 329 Q HA -0.093 4.249 4.340 0.003 0.000 0.200 329 Q C 2.264 178.406 176.000 0.237 0.000 0.981 329 Q CA 1.505 57.397 55.803 0.149 0.000 0.834 329 Q CB -0.143 28.658 28.738 0.106 0.000 0.900 329 Q HN 0.336 nan 8.270 nan 0.000 0.426 330 A N 0.241 123.157 122.820 0.160 0.000 1.969 330 A HA -0.203 4.119 4.320 0.003 0.000 0.218 330 A C 0.996 178.671 177.584 0.151 0.000 1.169 330 A CA 1.188 53.335 52.037 0.183 0.000 0.635 330 A CB -0.216 18.784 19.000 0.001 0.000 0.810 330 A HN 0.529 nan 8.150 nan 0.000 0.445 331 Q N -1.969 117.851 119.800 0.033 0.000 2.481 331 Q HA -0.182 4.160 4.340 0.003 0.000 0.258 331 Q C -0.768 175.233 176.000 0.003 0.000 0.961 331 Q CA 0.601 56.386 55.803 -0.029 0.000 1.121 331 Q CB -1.462 27.189 28.738 -0.146 0.000 1.503 331 Q HN 0.730 nan 8.270 nan 0.000 0.544 332 I N 3.001 123.528 120.570 -0.070 0.000 2.363 332 I HA 0.137 4.309 4.170 0.003 0.000 0.292 332 I C -1.569 174.400 176.117 -0.248 0.000 1.075 332 I CA -1.694 59.525 61.300 -0.134 0.000 1.333 332 I CB 0.452 38.294 38.000 -0.262 0.000 1.415 332 I HN -0.096 nan 8.210 nan 0.000 0.502 333 P HA 0.011 nan 4.420 nan 0.000 0.264 333 P C -0.983 175.925 177.300 -0.652 0.000 1.193 333 P CA -0.141 62.611 63.100 -0.580 0.000 0.763 333 P CB 0.574 31.669 31.700 -1.009 0.000 0.810 334 L N 3.069 123.929 121.223 -0.606 0.000 2.255 334 L HA 0.648 4.990 4.340 0.003 0.000 0.289 334 L C 0.721 177.376 176.870 -0.358 0.000 1.046 334 L CA -0.312 54.156 54.840 -0.621 0.000 0.816 334 L CB -0.122 41.399 42.059 -0.896 0.000 1.197 334 L HN 0.507 nan 8.230 nan 0.000 0.427 335 A N 2.967 125.641 122.820 -0.244 0.000 2.602 335 A HA 0.967 5.289 4.320 0.003 0.000 0.290 335 A C -1.318 176.334 177.584 0.112 0.000 1.114 335 A CA -0.306 51.650 52.037 -0.135 0.000 0.683 335 A CB 1.839 20.523 19.000 -0.526 0.000 1.281 335 A HN 0.703 nan 8.150 nan 0.000 0.416 336 A N -0.014 122.877 122.820 0.119 0.000 2.393 336 A HA 0.677 4.998 4.320 0.003 0.000 0.306 336 A C -1.118 176.512 177.584 0.076 0.000 1.050 336 A CA -0.446 51.692 52.037 0.169 0.000 0.724 336 A CB 1.356 20.592 19.000 0.393 0.000 1.248 336 A HN 1.440 nan 8.150 nan 0.000 0.424 337 V N 3.465 123.419 119.914 0.068 0.000 2.370 337 V HA 0.414 4.536 4.120 0.003 0.000 0.279 337 V C -0.366 175.777 176.094 0.082 0.000 1.029 337 V CA -0.015 62.321 62.300 0.061 0.000 0.870 337 V CB 0.715 32.559 31.823 0.037 0.000 0.984 337 V HN 0.667 nan 8.190 nan 0.000 0.451 338 I N 4.902 125.528 120.570 0.094 0.000 2.410 338 I HA 0.465 4.637 4.170 0.003 0.000 0.286 338 I C -0.004 176.174 176.117 0.100 0.000 1.009 338 I CA -0.476 60.883 61.300 0.098 0.000 1.111 338 I CB 1.682 39.759 38.000 0.127 0.000 1.262 338 I HN 0.500 nan 8.210 nan 0.000 0.443 339 K N 8.392 128.851 120.400 0.098 0.000 2.432 339 K HA 0.381 4.702 4.320 0.003 0.000 0.226 339 K C -2.030 174.700 176.600 0.217 0.000 1.057 339 K CA -1.682 54.684 56.287 0.133 0.000 1.034 339 K CB 1.080 33.632 32.500 0.086 0.000 1.561 339 K HN 0.191 nan 8.250 nan 0.000 0.492 340 P HA -0.162 nan 4.420 nan 0.000 0.217 340 P C -0.137 177.122 177.300 -0.069 0.000 1.148 340 P CA 1.254 64.431 63.100 0.128 0.000 0.834 340 P CB 0.119 31.949 31.700 0.216 0.000 0.783 341 F N -1.796 118.262 119.950 0.180 0.000 2.850 341 F HA 0.476 5.005 4.527 0.003 0.000 0.329 341 F C 0.902 176.810 175.800 0.180 0.000 1.182 341 F CA -1.390 56.715 58.000 0.176 0.000 1.270 341 F CB -0.749 38.245 39.000 -0.011 0.000 0.979 341 F HN -0.205 nan 8.300 nan 0.000 0.506 342 A N 0.279 123.286 122.820 0.313 0.000 2.561 342 A HA 0.252 4.573 4.320 0.003 0.000 0.234 342 A C 0.776 178.358 177.584 -0.005 0.000 1.055 342 A CA 0.252 52.318 52.037 0.047 0.000 0.756 342 A CB -0.148 18.743 19.000 -0.180 0.000 0.986 342 A HN 0.260 nan 8.150 nan 0.000 0.505 343 T N 3.686 118.230 114.554 -0.017 0.000 2.769 343 T HA 0.308 4.660 4.350 0.003 0.000 0.293 343 T C 0.326 174.977 174.700 -0.083 0.000 0.931 343 T CA 0.493 62.587 62.100 -0.010 0.000 1.139 343 T CB -0.390 68.480 68.868 0.003 0.000 0.881 343 T HN 0.383 nan 8.240 nan 0.000 0.532 344 I N 5.778 126.307 120.570 -0.069 0.000 2.428 344 I HA 0.237 4.409 4.170 0.003 0.000 0.289 344 I C -1.767 174.323 176.117 -0.044 0.000 1.019 344 I CA -2.502 58.737 61.300 -0.101 0.000 1.351 344 I CB 0.895 38.858 38.000 -0.062 0.000 1.412 344 I HN 0.346 nan 8.210 nan 0.000 0.513 345 P HA 0.028 nan 4.420 nan 0.000 0.265 345 P C 0.459 177.755 177.300 -0.008 0.000 1.187 345 P CA 0.124 63.211 63.100 -0.021 0.000 0.766 345 P CB 0.529 32.216 31.700 -0.022 0.000 0.820 346 S N 1.384 117.084 115.700 0.001 0.000 2.419 346 S HA -0.158 4.313 4.470 0.003 0.000 0.235 346 S C 1.368 175.972 174.600 0.006 0.000 1.019 346 S CA 1.412 59.615 58.200 0.006 0.000 0.982 346 S CB -0.723 62.483 63.200 0.010 0.000 0.789 346 S HN 0.699 nan 8.310 nan 0.000 0.490 347 N N 1.673 120.376 118.700 0.005 0.000 2.370 347 N HA -0.005 4.737 4.740 0.003 0.000 0.198 347 N C -0.362 175.152 175.510 0.008 0.000 1.156 347 N CA 0.122 53.177 53.050 0.008 0.000 0.839 347 N CB 0.023 38.516 38.487 0.009 0.000 0.989 347 N HN 0.442 nan 8.380 nan 0.000 0.468 348 E N 0.402 120.604 120.200 0.003 0.000 2.238 348 E HA 0.208 4.560 4.350 0.003 0.000 0.267 348 E C -0.497 176.102 176.600 -0.000 0.000 0.887 348 E CA -0.877 55.526 56.400 0.005 0.000 0.769 348 E CB 1.738 31.438 29.700 -0.001 0.000 1.187 348 E HN 0.272 nan 8.360 nan 0.000 0.416 349 S N 2.646 118.347 115.700 0.001 0.000 2.552 349 S HA 0.155 4.627 4.470 0.003 0.000 0.289 349 S C -1.658 172.907 174.600 -0.058 0.000 1.304 349 S CA -1.059 57.123 58.200 -0.031 0.000 1.063 349 S CB -0.126 63.064 63.200 -0.016 0.000 0.848 349 S HN 0.338 nan 8.310 nan 0.000 0.499 350 P HA 0.364 nan 4.420 nan 0.000 0.278 350 P C -0.420 176.732 177.300 -0.247 0.000 1.266 350 P CA -0.888 62.137 63.100 -0.125 0.000 0.807 350 P CB 0.624 32.257 31.700 -0.112 0.000 1.094 351 L N 0.625 121.768 121.223 -0.134 0.000 2.417 351 L HA 0.198 4.539 4.340 0.003 0.000 0.268 351 L C 0.356 177.109 176.870 -0.196 0.000 1.158 351 L CA -0.388 54.370 54.840 -0.137 0.000 0.819 351 L CB -0.177 41.841 42.059 -0.068 0.000 1.112 351 L HN 0.357 nan 8.230 nan 0.000 0.458 352 Y N 2.046 122.359 120.300 0.022 0.000 2.334 352 Y HA 0.297 4.849 4.550 0.002 0.000 0.328 352 Y C 0.046 175.938 175.900 -0.012 0.000 1.130 352 Y CA -0.819 57.284 58.100 0.005 0.000 1.163 352 Y CB 1.705 40.156 38.460 -0.016 0.000 1.207 352 Y HN 0.311 nan 8.280 nan 0.000 0.471 353 L N 4.701 126.030 121.223 0.178 0.000 2.261 353 L HA 0.450 4.791 4.340 0.003 0.000 0.289 353 L C -0.995 175.923 176.870 0.080 0.000 1.059 353 L CA -0.478 54.416 54.840 0.090 0.000 0.816 353 L CB 0.361 42.467 42.059 0.078 0.000 1.191 353 L HN 0.374 nan 8.230 nan 0.000 0.431 354 V N 5.826 125.766 119.914 0.044 0.000 2.439 354 V HA 0.368 4.490 4.120 0.003 0.000 0.282 354 V C 0.088 176.292 176.094 0.184 0.000 1.039 354 V CA -0.575 61.777 62.300 0.087 0.000 0.913 354 V CB 1.411 33.217 31.823 -0.027 0.000 0.983 354 V HN 0.862 nan 8.190 nan 0.000 0.460 355 N N 2.170 120.995 118.700 0.207 0.000 2.407 355 N HA 0.366 5.108 4.740 0.003 0.000 0.277 355 N C -0.292 175.423 175.510 0.342 0.000 0.995 355 N CA -0.604 52.560 53.050 0.190 0.000 0.903 355 N CB 0.724 39.280 38.487 0.115 0.000 1.218 355 N HN 0.705 nan 8.380 nan 0.000 0.487 356 H N 2.505 121.615 119.070 0.066 0.000 2.507 356 H HA 0.297 4.854 4.556 0.003 0.000 0.294 356 H C 1.078 176.382 175.328 -0.041 0.000 1.064 356 H CA 0.463 56.560 56.048 0.083 0.000 1.138 356 H CB 0.016 29.786 29.762 0.015 0.000 1.515 356 H HN 0.881 nan 8.280 nan 0.000 0.547 357 G N 0.698 109.519 108.800 0.036 0.000 2.749 357 G HA2 -0.339 3.622 3.960 0.003 0.000 0.242 357 G HA3 -0.339 3.622 3.960 0.003 0.000 0.242 357 G C 1.167 175.997 174.900 -0.117 0.000 1.364 357 G CA 0.170 45.209 45.100 -0.101 0.000 0.888 357 G HN 0.426 nan 8.290 nan 0.000 0.566 358 E N -0.588 119.526 120.200 -0.144 0.000 2.149 358 E HA -0.316 4.035 4.350 0.003 0.000 0.215 358 E C 2.764 179.320 176.600 -0.074 0.000 1.055 358 E CA 2.263 58.603 56.400 -0.100 0.000 0.870 358 E CB -0.314 29.316 29.700 -0.117 0.000 0.764 358 E HN 0.598 nan 8.360 nan 0.000 0.463 359 S N -0.402 115.217 115.700 -0.136 0.000 2.370 359 S HA -0.066 4.405 4.470 0.003 0.000 0.226 359 S C 0.897 175.531 174.600 0.058 0.000 1.033 359 S CA 1.451 59.634 58.200 -0.030 0.000 1.011 359 S CB -0.424 62.775 63.200 -0.002 0.000 0.852 359 S HN 0.580 nan 8.310 nan 0.000 0.457 360 G N 0.316 109.154 108.800 0.063 0.000 2.566 360 G HA2 -0.070 3.891 3.960 0.003 0.000 0.599 360 G HA3 -0.070 3.891 3.960 0.003 0.000 0.599 360 G C -3.218 171.731 174.900 0.082 0.000 1.292 360 G CA -0.518 44.642 45.100 0.099 0.000 0.922 360 G HN 0.351 nan 8.290 nan 0.000 0.514 361 P HA 0.364 nan 4.420 nan 0.000 0.268 361 P C 0.540 177.799 177.300 -0.067 0.000 1.204 361 P CA 0.022 62.844 63.100 -0.463 0.000 0.768 361 P CB 0.972 31.963 31.700 -1.181 0.000 0.842 362 V N 5.792 125.765 119.914 0.099 0.000 2.673 362 V HA 0.066 4.188 4.120 0.003 0.000 0.303 362 V C 1.184 177.297 176.094 0.032 0.000 1.046 362 V CA 0.588 62.917 62.300 0.049 0.000 1.126 362 V CB -0.594 31.154 31.823 -0.124 0.000 0.934 362 V HN 0.620 nan 8.190 nan 0.000 0.487 363 R N 2.553 123.094 120.500 0.067 0.000 2.764 363 R HA 0.498 4.839 4.340 0.003 0.000 0.270 363 R C -1.034 175.350 176.300 0.139 0.000 1.014 363 R CA -0.745 55.374 56.100 0.030 0.000 0.904 363 R CB 1.442 31.667 30.300 -0.126 0.000 1.236 363 R HN 0.721 nan 8.270 nan 0.000 0.466 364 C N 1.398 120.781 119.300 0.138 0.000 2.632 364 C HA 0.114 4.576 4.460 0.003 0.000 0.415 364 C C 1.196 176.205 174.990 0.032 0.000 1.332 364 C CA -0.156 58.953 59.018 0.151 0.000 1.874 364 C CB -0.686 27.146 27.740 0.153 0.000 2.596 364 C HN 0.863 nan 8.230 nan 0.000 0.590 365 N N 2.016 120.720 118.700 0.007 0.000 2.289 365 N HA -0.078 4.663 4.740 0.003 0.000 0.184 365 N C 1.995 177.490 175.510 -0.025 0.000 1.016 365 N CA 1.302 54.342 53.050 -0.017 0.000 0.872 365 N CB -0.112 38.359 38.487 -0.027 0.000 0.973 365 N HN 0.772 nan 8.380 nan 0.000 0.433 366 R N 0.134 120.623 120.500 -0.018 0.000 2.040 366 R HA 0.007 4.348 4.340 0.003 0.000 0.219 366 R C 2.184 178.469 176.300 -0.025 0.000 1.216 366 R CA 1.510 57.600 56.100 -0.017 0.000 0.952 366 R CB -0.672 29.624 30.300 -0.006 0.000 0.833 366 R HN 0.457 nan 8.270 nan 0.000 0.456 367 C N 0.603 119.894 119.300 -0.016 0.000 2.481 367 C HA 0.294 4.756 4.460 0.003 0.000 0.275 367 C C 0.562 175.488 174.990 -0.106 0.000 1.419 367 C CA -0.193 58.798 59.018 -0.045 0.000 1.773 367 C CB -0.097 27.633 27.740 -0.017 0.000 1.862 367 C HN 0.563 nan 8.230 nan 0.000 0.530 368 K N -0.140 120.196 120.400 -0.108 0.000 3.391 368 K HA -0.151 4.170 4.320 0.003 0.000 0.307 368 K C 0.376 176.771 176.600 -0.342 0.000 1.304 368 K CA 1.076 57.250 56.287 -0.189 0.000 0.904 368 K CB -2.316 30.074 32.500 -0.183 0.000 1.293 368 K HN 0.974 nan 8.250 nan 0.000 0.470 369 A N 0.502 123.152 122.820 -0.283 0.000 2.462 369 A HA 0.374 4.695 4.320 0.003 0.000 0.243 369 A C 0.203 177.652 177.584 -0.225 0.000 1.076 369 A CA 0.010 51.824 52.037 -0.372 0.000 0.773 369 A CB -0.004 18.669 19.000 -0.545 0.000 1.010 369 A HN 0.164 nan 8.150 nan 0.000 0.493 370 Y N 0.622 120.955 120.300 0.054 0.000 2.357 370 Y HA 0.277 4.829 4.550 0.003 0.000 0.340 370 Y C 0.882 176.920 175.900 0.230 0.000 1.260 370 Y CA -0.177 58.018 58.100 0.158 0.000 1.425 370 Y CB 0.411 39.044 38.460 0.288 0.000 1.326 370 Y HN 0.671 nan 8.280 nan 0.000 0.580 371 M N 3.960 123.780 119.600 0.367 0.000 2.303 371 M HA 0.254 4.736 4.480 0.003 0.000 0.350 371 M C -0.637 175.879 176.300 0.361 0.000 1.518 371 M CA -0.382 55.070 55.300 0.253 0.000 1.070 371 M CB -1.164 31.564 32.600 0.213 0.000 1.910 371 M HN 0.759 nan 8.290 nan 0.000 0.458 372 C N 4.220 123.678 119.300 0.264 0.000 3.335 372 C HA 0.711 5.172 4.460 0.003 0.000 0.356 372 C C -2.063 172.949 174.990 0.037 0.000 1.570 372 C CA -1.228 57.914 59.018 0.206 0.000 1.271 372 C CB 0.896 28.813 27.740 0.295 0.000 1.873 372 C HN 0.682 nan 8.230 nan 0.000 0.439 373 P HA 0.037 nan 4.420 nan 0.000 0.231 373 P C 0.453 177.679 177.300 -0.123 0.000 1.158 373 P CA 1.130 64.102 63.100 -0.212 0.000 0.763 373 P CB -0.216 31.264 31.700 -0.367 0.000 0.805 374 F N -2.386 117.622 119.950 0.097 0.000 2.660 374 F HA 0.216 4.746 4.527 0.003 0.000 0.302 374 F C 0.926 176.725 175.800 -0.002 0.000 1.103 374 F CA -0.073 57.922 58.000 -0.009 0.000 1.340 374 F CB -0.502 38.382 39.000 -0.194 0.000 1.048 374 F HN -0.113 nan 8.300 nan 0.000 0.551 375 M N 0.948 120.665 119.600 0.194 0.000 2.088 375 M HA 0.257 4.739 4.480 0.003 0.000 0.346 375 M C 0.007 176.358 176.300 0.085 0.000 1.111 375 M CA -0.399 54.950 55.300 0.083 0.000 1.017 375 M CB 0.903 33.376 32.600 -0.211 0.000 1.568 375 M HN -0.073 nan 8.290 nan 0.000 0.445 376 Q N 2.953 122.810 119.800 0.096 0.000 2.369 376 Q HA 0.283 4.625 4.340 0.003 0.000 0.247 376 Q C -1.183 174.869 176.000 0.087 0.000 1.083 376 Q CA -0.006 55.875 55.803 0.130 0.000 0.905 376 Q CB 0.079 28.877 28.738 0.100 0.000 1.305 376 Q HN 0.398 nan 8.270 nan 0.000 0.465 377 F N 4.421 124.461 119.950 0.151 0.000 2.504 377 F HA 0.163 4.692 4.527 0.004 0.000 0.369 377 F C 1.110 176.979 175.800 0.115 0.000 1.082 377 F CA -0.128 57.968 58.000 0.161 0.000 1.216 377 F CB 0.186 39.250 39.000 0.106 0.000 1.108 377 F HN 0.381 nan 8.300 nan 0.000 0.554 378 I N -1.644 119.053 120.570 0.212 0.000 3.436 378 I HA 0.573 4.745 4.170 0.003 0.000 0.300 378 I C -0.434 175.772 176.117 0.149 0.000 1.131 378 I CA -1.308 60.080 61.300 0.147 0.000 1.001 378 I CB 1.427 39.474 38.000 0.079 0.000 1.305 378 I HN 0.553 nan 8.210 nan 0.000 0.494 379 E N 1.651 121.914 120.200 0.106 0.000 2.202 379 E HA -0.195 4.157 4.350 0.003 0.000 0.169 379 E C 0.907 177.590 176.600 0.139 0.000 1.536 379 E CA 0.750 57.207 56.400 0.095 0.000 0.664 379 E CB -1.676 28.062 29.700 0.064 0.000 1.064 379 E HN 1.228 nan 8.360 nan 0.000 0.327 380 G N -0.326 108.567 108.800 0.155 0.000 2.196 380 G HA2 -0.280 3.681 3.960 0.003 0.000 0.268 380 G HA3 -0.280 3.681 3.960 0.003 0.000 0.268 380 G C 0.896 175.990 174.900 0.323 0.000 0.975 380 G CA 0.760 45.990 45.100 0.216 0.000 0.648 380 G HN 1.689 nan 8.290 nan 0.000 0.538 381 G N -1.330 107.664 108.800 0.322 0.000 2.141 381 G HA2 -0.164 3.798 3.960 0.003 0.000 0.195 381 G HA3 -0.164 3.798 3.960 0.003 0.000 0.195 381 G C 0.745 176.003 174.900 0.595 0.000 1.012 381 G CA 1.028 46.373 45.100 0.409 0.000 0.696 381 G HN 0.966 nan 8.290 nan 0.000 0.508 382 R N -0.860 119.876 120.500 0.393 0.000 2.206 382 R HA 0.253 4.595 4.340 0.003 0.000 0.198 382 R C 0.975 177.379 176.300 0.173 0.000 0.986 382 R CA 0.251 56.488 56.100 0.228 0.000 1.029 382 R CB 0.487 30.793 30.300 0.009 0.000 0.966 382 R HN 0.255 nan 8.270 nan 0.000 0.487 383 R N 0.947 121.536 120.500 0.148 0.000 2.575 383 R HA 0.229 4.570 4.340 0.003 0.000 0.293 383 R C -1.614 174.683 176.300 -0.005 0.000 0.983 383 R CA -0.835 55.275 56.100 0.016 0.000 0.887 383 R CB 2.030 32.305 30.300 -0.042 0.000 1.184 383 R HN -0.032 nan 8.270 nan 0.000 0.445 384 Y N -0.122 120.073 120.300 -0.174 0.000 2.352 384 Y HA 0.398 4.949 4.550 0.003 0.000 0.339 384 Y C -0.417 175.355 175.900 -0.213 0.000 0.992 384 Y CA -1.115 56.743 58.100 -0.403 0.000 1.100 384 Y CB 1.239 39.072 38.460 -1.045 0.000 1.192 384 Y HN 0.451 nan 8.280 nan 0.000 0.458 385 Q N 4.440 124.219 119.800 -0.034 0.000 2.274 385 Q HA 0.343 4.685 4.340 0.003 0.000 0.256 385 Q C -0.695 175.385 176.000 0.132 0.000 0.927 385 Q CA -0.758 55.030 55.803 -0.024 0.000 0.939 385 Q CB 0.975 29.710 28.738 -0.005 0.000 1.201 385 Q HN 1.095 nan 8.270 nan 0.000 0.426 386 C N 3.871 123.261 119.300 0.150 0.000 2.634 386 C HA 0.248 4.710 4.460 0.003 0.000 0.418 386 C C 1.754 176.837 174.990 0.156 0.000 1.373 386 C CA 0.389 59.568 59.018 0.269 0.000 1.756 386 C CB -0.580 27.326 27.740 0.276 0.000 2.589 386 C HN 1.039 nan 8.230 nan 0.000 0.602 387 G N 3.502 112.363 108.800 0.102 0.000 2.744 387 G HA2 0.019 3.980 3.960 0.003 0.000 0.211 387 G HA3 0.019 3.980 3.960 0.003 0.000 0.211 387 G C 0.808 175.517 174.900 -0.318 0.000 1.143 387 G CA 0.511 45.525 45.100 -0.143 0.000 0.788 387 G HN 0.778 nan 8.290 nan 0.000 0.534 388 F N -0.166 119.814 119.950 0.050 0.000 2.383 388 F HA 0.129 4.657 4.527 0.002 0.000 0.287 388 F C 2.436 178.241 175.800 0.008 0.000 1.069 388 F CA 0.546 58.554 58.000 0.014 0.000 1.402 388 F CB -0.126 38.886 39.000 0.020 0.000 1.116 388 F HN 0.245 nan 8.300 nan 0.000 0.549 389 C N -1.724 117.698 119.300 0.203 0.000 3.491 389 C HA 0.425 4.887 4.460 0.003 0.000 0.298 389 C C 0.744 175.774 174.990 0.066 0.000 1.424 389 C CA -0.747 58.337 59.018 0.109 0.000 1.772 389 C CB -0.860 26.933 27.740 0.090 0.000 2.447 389 C HN 0.566 nan 8.230 nan 0.000 0.670 390 N N -0.497 118.240 118.700 0.063 0.000 2.863 390 N HA -0.202 4.540 4.740 0.003 0.000 0.245 390 N C 0.241 175.759 175.510 0.014 0.000 1.001 390 N CA 1.304 54.373 53.050 0.032 0.000 0.901 390 N CB -1.965 36.535 38.487 0.021 0.000 1.124 390 N HN 0.865 nan 8.380 nan 0.000 0.582 391 C N 1.582 120.891 119.300 0.016 0.000 2.644 391 C HA 0.443 4.905 4.460 0.003 0.000 0.417 391 C C 1.164 176.107 174.990 -0.078 0.000 1.304 391 C CA -0.517 58.487 59.018 -0.023 0.000 2.035 391 C CB 0.190 27.919 27.740 -0.019 0.000 2.673 391 C HN 0.149 nan 8.230 nan 0.000 0.602 392 V N 7.852 127.700 119.914 -0.110 0.000 2.567 392 V HA 0.418 4.540 4.120 0.003 0.000 0.289 392 V C 0.381 176.307 176.094 -0.281 0.000 1.049 392 V CA -0.143 62.046 62.300 -0.184 0.000 0.969 392 V CB 1.073 32.824 31.823 -0.120 0.000 0.995 392 V HN 0.944 nan 8.190 nan 0.000 0.471 393 N N 1.550 119.942 118.700 -0.513 0.000 2.380 393 N HA 0.406 5.147 4.740 0.003 0.000 0.290 393 N C -1.575 173.686 175.510 -0.416 0.000 1.236 393 N CA -0.739 51.973 53.050 -0.563 0.000 0.780 393 N CB 2.341 40.214 38.487 -1.023 0.000 1.438 393 N HN 0.603 nan 8.380 nan 0.000 0.491 394 D N 1.199 121.472 120.400 -0.211 0.000 2.373 394 D HA 0.158 4.799 4.640 0.003 0.000 0.227 394 D C -0.102 176.226 176.300 0.046 0.000 1.091 394 D CA -0.267 53.691 54.000 -0.069 0.000 0.840 394 D CB 1.792 42.570 40.800 -0.037 0.000 1.060 394 D HN 0.113 nan 8.370 nan 0.000 0.502 395 V N 5.978 125.986 119.914 0.158 0.000 2.452 395 V HA -0.007 4.114 4.120 0.003 0.000 0.286 395 V C -1.482 174.712 176.094 0.167 0.000 0.995 395 V CA -0.768 61.721 62.300 0.314 0.000 1.116 395 V CB -0.470 31.631 31.823 0.464 0.000 0.954 395 V HN 0.396 nan 8.190 nan 0.000 0.473 396 P HA 0.045 nan 4.420 nan 0.000 0.267 396 P C -2.158 175.118 177.300 -0.041 0.000 1.195 396 P CA -1.047 62.054 63.100 0.002 0.000 0.773 396 P CB 0.192 31.852 31.700 -0.066 0.000 0.837 397 P HA -0.235 nan 4.420 nan 0.000 0.209 397 P C 1.514 178.872 177.300 0.096 0.000 1.167 397 P CA 1.717 64.876 63.100 0.099 0.000 0.941 397 P CB -0.737 31.058 31.700 0.159 0.000 0.787 398 F N -2.903 117.117 119.950 0.117 0.000 2.323 398 F HA -0.200 4.329 4.527 0.002 0.000 0.301 398 F C 2.007 177.897 175.800 0.149 0.000 1.060 398 F CA 1.073 59.137 58.000 0.106 0.000 1.398 398 F CB -1.447 37.598 39.000 0.075 0.000 1.075 398 F HN -0.037 nan 8.300 nan 0.000 0.540 399 Y N -0.164 119.660 120.300 -0.792 0.000 2.458 399 Y HA 0.225 4.776 4.550 0.003 0.000 0.254 399 Y C 0.701 176.457 175.900 -0.240 0.000 1.120 399 Y CA -1.773 55.969 58.100 -0.596 0.000 1.282 399 Y CB -0.362 37.599 38.460 -0.830 0.000 1.109 399 Y HN 0.067 nan 8.280 nan 0.000 0.526 400 F N 2.512 122.330 119.950 -0.219 0.000 2.629 400 F HA 0.247 4.776 4.527 0.003 0.000 0.369 400 F C -0.177 175.435 175.800 -0.313 0.000 1.125 400 F CA 0.496 58.373 58.000 -0.205 0.000 1.330 400 F CB 0.368 39.282 39.000 -0.143 0.000 1.071 400 F HN -0.001 nan 8.300 nan 0.000 0.595 401 Q N 4.032 122.860 119.800 -1.619 0.000 2.426 401 Q HA 0.203 4.544 4.340 0.003 0.000 0.278 401 Q C -1.282 173.909 176.000 -1.347 0.000 1.007 401 Q CA -0.753 54.200 55.803 -1.417 0.000 0.850 401 Q CB 1.609 29.861 28.738 -0.810 0.000 1.427 401 Q HN 0.706 nan 8.270 nan 0.000 0.391 402 H N 2.382 120.990 119.070 -0.770 0.000 2.764 402 H HA 0.266 4.824 4.556 0.002 0.000 0.341 402 H C 0.574 175.748 175.328 -0.256 0.000 1.072 402 H CA 0.349 56.179 56.048 -0.363 0.000 1.444 402 H CB 0.709 30.358 29.762 -0.189 0.000 1.458 402 H HN 0.419 nan 8.280 nan 0.000 0.572 403 L N 1.535 122.759 121.223 0.002 0.000 2.598 403 L HA 0.089 4.430 4.340 0.003 0.000 0.202 403 L C 0.919 177.758 176.870 -0.053 0.000 1.190 403 L CA -0.086 54.736 54.840 -0.030 0.000 0.869 403 L CB 0.341 42.422 42.059 0.036 0.000 1.529 403 L HN 0.635 nan 8.230 nan 0.000 0.520 404 D N -3.135 117.218 120.400 -0.078 0.000 2.574 404 D HA 0.030 4.672 4.640 0.003 0.000 0.166 404 D C 1.497 177.596 176.300 -0.334 0.000 1.445 404 D CA 0.081 53.962 54.000 -0.199 0.000 1.453 404 D CB 0.745 41.441 40.800 -0.173 0.000 1.814 404 D HN 0.444 nan 8.370 nan 0.000 0.327 405 H N -0.335 118.731 119.070 -0.007 0.000 2.545 405 H HA 0.428 4.985 4.556 0.002 0.000 0.251 405 H C 1.105 176.434 175.328 0.003 0.000 0.934 405 H CA 0.393 56.439 56.048 -0.003 0.000 1.116 405 H CB 2.149 31.907 29.762 -0.007 0.000 1.439 405 H HN 0.013 nan 8.280 nan 0.000 0.445 406 I N -0.428 120.213 120.570 0.119 0.000 4.050 406 I HA 0.201 4.373 4.170 0.003 0.000 0.328 406 I C 0.917 177.066 176.117 0.053 0.000 1.439 406 I CA 0.547 61.890 61.300 0.072 0.000 1.099 406 I CB 1.702 39.736 38.000 0.058 0.000 1.469 406 I HN 0.373 nan 8.210 nan 0.000 0.572 407 G N 1.361 110.187 108.800 0.043 0.000 2.253 407 G HA2 -0.257 3.704 3.960 0.003 0.000 0.209 407 G HA3 -0.257 3.704 3.960 0.003 0.000 0.209 407 G C 0.988 175.882 174.900 -0.010 0.000 0.997 407 G CA -0.011 45.114 45.100 0.042 0.000 0.640 407 G HN 0.183 nan 8.290 nan 0.000 0.496 408 R N 1.136 121.610 120.500 -0.043 0.000 2.295 408 R HA -0.174 4.168 4.340 0.003 0.000 0.265 408 R C 1.860 178.087 176.300 -0.121 0.000 1.203 408 R CA 2.245 58.277 56.100 -0.112 0.000 1.023 408 R CB -0.715 29.537 30.300 -0.080 0.000 0.880 408 R HN 1.179 nan 8.270 nan 0.000 0.481 409 R N -1.469 118.953 120.500 -0.129 0.000 3.863 409 R HA -0.252 4.090 4.340 0.003 0.000 0.313 409 R C 0.255 176.423 176.300 -0.220 0.000 1.202 409 R CA 1.136 57.102 56.100 -0.224 0.000 0.852 409 R CB -2.224 27.821 30.300 -0.425 0.000 1.292 409 R HN 0.251 nan 8.270 nan 0.000 0.519 410 L N -1.190 119.959 121.223 -0.123 0.000 4.396 410 L HA -0.347 3.994 4.340 0.003 0.000 0.440 410 L C 0.469 177.265 176.870 -0.122 0.000 1.113 410 L CA 2.390 57.176 54.840 -0.090 0.000 0.975 410 L CB -0.669 41.336 42.059 -0.090 0.000 1.852 410 L HN 0.677 nan 8.230 nan 0.000 1.048 411 D N -2.659 117.636 120.400 -0.175 0.000 3.084 411 D HA 0.010 4.651 4.640 0.003 0.000 0.294 411 D C 1.367 177.576 176.300 -0.152 0.000 1.165 411 D CA 0.675 54.547 54.000 -0.215 0.000 1.008 411 D CB 0.078 40.652 40.800 -0.376 0.000 1.266 411 D HN 0.616 nan 8.370 nan 0.000 0.449 412 H N 0.585 119.483 119.070 -0.286 0.000 1.472 412 H HA -0.326 4.232 4.556 0.002 0.000 0.093 412 H C 1.505 176.659 175.328 -0.290 0.000 1.107 412 H CA 2.786 58.628 56.048 -0.343 0.000 1.896 412 H CB -0.973 28.498 29.762 -0.485 0.000 2.253 412 H HN 0.229 nan 8.280 nan 0.000 0.961 413 Y N 0.106 120.439 120.300 0.056 0.000 2.639 413 Y HA -0.182 4.369 4.550 0.003 0.000 0.289 413 Y C 2.777 178.618 175.900 -0.098 0.000 1.155 413 Y CA 1.201 59.293 58.100 -0.013 0.000 1.379 413 Y CB -0.087 38.404 38.460 0.051 0.000 0.967 413 Y HN 0.512 nan 8.280 nan 0.000 0.569 414 E N 0.596 120.785 120.200 -0.019 0.000 2.251 414 E HA 0.004 4.355 4.350 0.003 0.000 0.194 414 E C 0.004 176.503 176.600 -0.169 0.000 0.964 414 E CA 0.212 56.563 56.400 -0.082 0.000 0.868 414 E CB 0.352 30.006 29.700 -0.078 0.000 0.828 414 E HN 0.263 nan 8.360 nan 0.000 0.481 415 K N 1.917 122.194 120.400 -0.206 0.000 2.339 415 K HA 0.201 4.523 4.320 0.003 0.000 0.264 415 K C -2.057 174.363 176.600 -0.301 0.000 0.986 415 K CA -1.934 54.219 56.287 -0.225 0.000 0.866 415 K CB 1.900 34.302 32.500 -0.164 0.000 1.103 415 K HN -0.036 nan 8.250 nan 0.000 0.441 416 P HA -0.278 nan 4.420 nan 0.000 0.216 416 P C 0.851 177.799 177.300 -0.585 0.000 1.150 416 P CA 1.507 64.408 63.100 -0.331 0.000 0.843 416 P CB 0.279 31.860 31.700 -0.199 0.000 0.787 417 E N 0.345 120.067 120.200 -0.796 0.000 2.472 417 E HA -0.096 4.256 4.350 0.003 0.000 0.200 417 E C 1.743 178.061 176.600 -0.470 0.000 1.046 417 E CA 0.741 56.458 56.400 -1.139 0.000 0.871 417 E CB -0.726 28.552 29.700 -0.703 0.000 0.806 417 E HN 0.348 nan 8.360 nan 0.000 0.533 418 L N 0.613 121.603 121.223 -0.389 0.000 2.575 418 L HA 0.107 4.449 4.340 0.003 0.000 0.228 418 L C 2.197 178.687 176.870 -0.634 0.000 1.075 418 L CA 0.809 55.433 54.840 -0.360 0.000 0.867 418 L CB 0.202 42.049 42.059 -0.353 0.000 1.097 418 L HN 0.109 nan 8.230 nan 0.000 0.485 419 S N -1.203 114.103 115.700 -0.657 0.000 2.524 419 S HA 0.321 4.792 4.470 0.003 0.000 0.222 419 S C 0.572 175.050 174.600 -0.203 0.000 1.040 419 S CA -0.390 57.421 58.200 -0.649 0.000 0.915 419 S CB 0.175 62.983 63.200 -0.653 0.000 0.831 419 S HN 0.073 nan 8.310 nan 0.000 0.492 420 L N 0.982 122.133 121.223 -0.121 0.000 2.352 420 L HA 0.637 4.979 4.340 0.003 0.000 0.269 420 L C 1.616 178.559 176.870 0.122 0.000 1.034 420 L CA -0.480 54.392 54.840 0.052 0.000 0.806 420 L CB 1.168 43.316 42.059 0.149 0.000 1.244 420 L HN 0.292 nan 8.230 nan 0.000 0.447 421 G N 0.133 108.994 108.800 0.103 0.000 2.453 421 G HA2 0.011 3.972 3.960 0.003 0.000 0.215 421 G HA3 0.011 3.972 3.960 0.003 0.000 0.215 421 G C 0.403 175.289 174.900 -0.022 0.000 1.147 421 G CA 0.189 45.324 45.100 0.058 0.000 0.802 421 G HN 0.495 nan 8.290 nan 0.000 0.535 422 S N -0.796 114.896 115.700 -0.013 0.000 2.568 422 S HA 0.754 5.226 4.470 0.003 0.000 0.293 422 S C -1.071 173.393 174.600 -0.228 0.000 1.089 422 S CA -0.564 57.451 58.200 -0.308 0.000 0.945 422 S CB 1.854 64.945 63.200 -0.182 0.000 1.077 422 S HN 0.608 nan 8.310 nan 0.000 0.485 423 Y N -1.465 118.614 120.300 -0.368 0.000 2.927 423 Y HA 0.505 5.057 4.550 0.003 0.000 0.392 423 Y C -1.639 174.007 175.900 -0.424 0.000 1.159 423 Y CA -1.233 56.681 58.100 -0.310 0.000 1.220 423 Y CB 0.286 38.595 38.460 -0.252 0.000 1.506 423 Y HN 0.525 nan 8.280 nan 0.000 0.481 424 E N 0.559 120.694 120.200 -0.108 0.000 2.227 424 E HA 0.467 4.819 4.350 0.003 0.000 0.268 424 E C -1.823 174.694 176.600 -0.138 0.000 0.907 424 E CA -1.082 55.211 56.400 -0.178 0.000 0.786 424 E CB 2.959 32.606 29.700 -0.088 0.000 1.191 424 E HN 0.636 nan 8.360 nan 0.000 0.411 425 Y N 0.150 120.366 120.300 -0.140 0.000 2.487 425 Y HA 0.306 4.858 4.550 0.002 0.000 0.337 425 Y C 0.084 175.856 175.900 -0.213 0.000 1.076 425 Y CA -1.215 56.767 58.100 -0.197 0.000 1.115 425 Y CB 1.767 40.038 38.460 -0.315 0.000 1.235 425 Y HN 0.212 nan 8.280 nan 0.000 0.468 426 V N 2.794 122.723 119.914 0.025 0.000 2.583 426 V HA 0.421 4.543 4.120 0.003 0.000 0.287 426 V C 0.046 176.046 176.094 -0.156 0.000 1.051 426 V CA -0.616 61.650 62.300 -0.056 0.000 1.010 426 V CB 0.951 32.768 31.823 -0.010 0.000 0.988 426 V HN 0.803 nan 8.190 nan 0.000 0.478 427 A N 3.791 126.491 122.820 -0.199 0.000 2.276 427 A HA 0.687 5.008 4.320 0.003 0.000 0.316 427 A C 0.466 178.033 177.584 -0.029 0.000 1.229 427 A CA -0.361 51.499 52.037 -0.294 0.000 0.851 427 A CB 0.617 19.412 19.000 -0.343 0.000 1.165 427 A HN 0.953 nan 8.150 nan 0.000 0.513 428 T N 0.659 115.299 114.554 0.143 0.000 2.849 428 T HA 0.376 4.728 4.350 0.003 0.000 0.284 428 T C 1.327 176.145 174.700 0.196 0.000 1.004 428 T CA -0.588 61.612 62.100 0.165 0.000 1.021 428 T CB 0.330 69.293 68.868 0.157 0.000 1.013 428 T HN 0.427 nan 8.240 nan 0.000 0.527 429 L N 0.830 122.112 121.223 0.097 0.000 2.151 429 L HA -0.180 4.161 4.340 0.003 0.000 0.215 429 L C 2.095 178.997 176.870 0.053 0.000 1.084 429 L CA 1.823 56.703 54.840 0.067 0.000 0.764 429 L CB -0.781 41.298 42.059 0.033 0.000 0.891 429 L HN 0.811 nan 8.230 nan 0.000 0.435 430 D N -2.116 118.299 120.400 0.025 0.000 2.363 430 D HA -0.178 4.464 4.640 0.003 0.000 0.226 430 D C 1.307 177.501 176.300 -0.175 0.000 1.020 430 D CA 0.696 54.647 54.000 -0.082 0.000 0.892 430 D CB -0.283 40.434 40.800 -0.139 0.000 0.900 430 D HN 0.356 nan 8.370 nan 0.000 0.531 431 Y N -0.028 120.274 120.300 0.004 0.000 2.449 431 Y HA 0.232 4.784 4.550 0.003 0.000 0.254 431 Y C 0.750 176.655 175.900 0.007 0.000 1.140 431 Y CA -0.566 57.540 58.100 0.010 0.000 1.272 431 Y CB 0.532 38.996 38.460 0.007 0.000 1.114 431 Y HN -0.014 nan 8.280 nan 0.000 0.525 432 C N 1.757 121.127 119.300 0.116 0.000 2.366 432 C HA 0.462 4.923 4.460 0.003 0.000 0.345 432 C C 0.279 175.295 174.990 0.043 0.000 1.209 432 C CA -1.434 57.629 59.018 0.075 0.000 2.050 432 C CB 0.608 28.384 27.740 0.059 0.000 2.359 432 C HN 0.182 nan 8.230 nan 0.000 0.527 433 R N 1.793 122.318 120.500 0.043 0.000 2.570 433 R HA 0.054 4.396 4.340 0.003 0.000 0.277 433 R C 0.664 176.979 176.300 0.025 0.000 1.039 433 R CA 0.328 56.447 56.100 0.032 0.000 1.065 433 R CB -0.225 30.099 30.300 0.041 0.000 0.964 433 R HN 0.834 nan 8.270 nan 0.000 0.428 434 K N 0.857 121.267 120.400 0.016 0.000 3.130 434 K HA -0.238 4.083 4.320 0.003 0.000 0.282 434 K C -0.312 176.294 176.600 0.009 0.000 1.145 434 K CA 1.035 57.330 56.287 0.012 0.000 0.831 434 K CB -1.306 31.204 32.500 0.018 0.000 1.226 434 K HN 0.844 nan 8.250 nan 0.000 0.478 435 S N -1.347 114.358 115.700 0.008 0.000 3.473 435 S HA -0.248 4.223 4.470 0.003 0.000 0.339 435 S C -0.105 174.502 174.600 0.013 0.000 1.148 435 S CA 1.891 60.094 58.200 0.007 0.000 0.969 435 S CB -0.878 62.320 63.200 -0.003 0.000 0.936 435 S HN 0.487 nan 8.310 nan 0.000 0.530 436 K N 0.975 121.385 120.400 0.017 0.000 2.375 436 K HA 0.461 4.783 4.320 0.003 0.000 0.249 436 K C -2.846 173.767 176.600 0.021 0.000 0.942 436 K CA -2.493 53.804 56.287 0.017 0.000 0.806 436 K CB 1.554 34.062 32.500 0.014 0.000 1.227 436 K HN -0.097 nan 8.250 nan 0.000 0.430 437 P HA -0.014 nan 4.420 nan 0.000 0.261 437 P C -2.324 174.986 177.300 0.017 0.000 1.183 437 P CA -0.554 62.556 63.100 0.017 0.000 0.761 437 P CB -0.193 31.514 31.700 0.012 0.000 0.785 438 P HA 0.135 nan 4.420 nan 0.000 0.274 438 P C -0.366 176.939 177.300 0.009 0.000 1.260 438 P CA -0.159 62.952 63.100 0.019 0.000 0.793 438 P CB 0.741 32.457 31.700 0.027 0.000 1.048 439 N N 0.005 118.706 118.700 0.001 0.000 2.430 439 N HA 0.362 5.104 4.740 0.003 0.000 0.298 439 N C -2.348 173.144 175.510 -0.031 0.000 1.130 439 N CA -1.693 51.350 53.050 -0.012 0.000 0.894 439 N CB 0.550 39.028 38.487 -0.014 0.000 1.209 439 N HN 0.343 nan 8.380 nan 0.000 0.503 440 P HA 0.142 nan 4.420 nan 0.000 0.269 440 P C -2.496 174.725 177.300 -0.133 0.000 1.209 440 P CA -0.686 62.376 63.100 -0.062 0.000 0.776 440 P CB 0.000 31.671 31.700 -0.049 0.000 0.876 441 P HA 0.206 nan 4.420 nan 0.000 0.274 441 P C -0.855 176.272 177.300 -0.287 0.000 1.260 441 P CA -0.074 62.772 63.100 -0.423 0.000 0.793 441 P CB 0.567 31.644 31.700 -1.038 0.000 1.048 442 A N 0.426 123.122 122.820 -0.207 0.000 2.475 442 A HA 0.670 4.992 4.320 0.003 0.000 0.301 442 A C -1.280 176.425 177.584 0.202 0.000 1.059 442 A CA -0.486 51.500 52.037 -0.085 0.000 0.710 442 A CB 0.924 19.881 19.000 -0.070 0.000 1.288 442 A HN 0.276 nan 8.150 nan 0.000 0.408 443 F N 1.514 121.414 119.950 -0.082 0.000 2.411 443 F HA 0.507 5.036 4.527 0.003 0.000 0.352 443 F C 0.103 175.705 175.800 -0.329 0.000 1.123 443 F CA -1.428 56.510 58.000 -0.103 0.000 1.044 443 F CB 1.258 40.205 39.000 -0.089 0.000 1.135 443 F HN 0.311 nan 8.300 nan 0.000 0.461 444 I N 4.958 125.455 120.570 -0.122 0.000 2.354 444 I HA 0.247 4.419 4.170 0.003 0.000 0.286 444 I C -0.867 175.115 176.117 -0.226 0.000 1.007 444 I CA -0.555 60.643 61.300 -0.171 0.000 1.167 444 I CB 0.841 38.859 38.000 0.031 0.000 1.320 444 I HN 0.252 nan 8.210 nan 0.000 0.458 445 F N 6.783 126.758 119.950 0.042 0.000 2.411 445 F HA 0.472 5.001 4.527 0.003 0.000 0.355 445 F C 0.374 176.358 175.800 0.307 0.000 1.117 445 F CA -0.388 57.751 58.000 0.232 0.000 1.139 445 F CB 0.908 39.961 39.000 0.089 0.000 1.120 445 F HN 0.226 nan 8.300 nan 0.000 0.493 446 M N 5.967 125.903 119.600 0.559 0.000 2.142 446 M HA 0.484 4.966 4.480 0.003 0.000 0.299 446 M C -1.121 175.532 176.300 0.590 0.000 0.960 446 M CA -0.338 55.268 55.300 0.511 0.000 0.920 446 M CB 2.099 34.947 32.600 0.413 0.000 1.541 446 M HN 0.400 nan 8.290 nan 0.000 0.429 447 I N 2.324 123.078 120.570 0.307 0.000 2.354 447 I HA 0.197 4.369 4.170 0.003 0.000 0.292 447 I C 0.098 175.939 176.117 -0.459 0.000 0.989 447 I CA -0.537 60.782 61.300 0.032 0.000 1.188 447 I CB 1.380 39.304 38.000 -0.127 0.000 1.342 447 I HN 0.601 nan 8.210 nan 0.000 0.457 448 D N 6.781 126.890 120.400 -0.484 0.000 2.338 448 D HA 0.064 4.706 4.640 0.003 0.000 0.255 448 D C 0.554 176.526 176.300 -0.547 0.000 1.237 448 D CA -0.099 53.425 54.000 -0.793 0.000 0.883 448 D CB 1.365 41.990 40.800 -0.291 0.000 1.087 448 D HN 0.355 nan 8.370 nan 0.000 0.485 449 V N 1.913 121.450 119.914 -0.629 0.000 3.177 449 V HA 0.200 4.322 4.120 0.003 0.000 0.342 449 V C 0.866 176.761 176.094 -0.331 0.000 1.379 449 V CA -0.247 61.717 62.300 -0.560 0.000 1.191 449 V CB -0.948 30.241 31.823 -1.057 0.000 1.167 449 V HN 0.449 nan 8.190 nan 0.000 0.471 450 S N -0.663 114.908 115.700 -0.215 0.000 2.596 450 S HA 0.204 4.675 4.470 0.003 0.000 0.260 450 S C 0.942 175.540 174.600 -0.003 0.000 1.336 450 S CA 0.404 58.579 58.200 -0.042 0.000 0.993 450 S CB 0.507 63.708 63.200 0.001 0.000 0.923 450 S HN 0.487 nan 8.310 nan 0.000 0.567 451 Y N 2.157 122.440 120.300 -0.028 0.000 1.967 451 Y HA -0.297 4.255 4.550 0.003 0.000 0.260 451 Y C 2.688 178.563 175.900 -0.042 0.000 1.181 451 Y CA 2.571 60.659 58.100 -0.019 0.000 1.097 451 Y CB -1.299 37.163 38.460 0.003 0.000 0.934 451 Y HN 0.777 nan 8.280 nan 0.000 0.492 452 S N 0.544 116.189 115.700 -0.092 0.000 2.406 452 S HA -0.311 4.161 4.470 0.003 0.000 0.242 452 S C 1.592 176.041 174.600 -0.251 0.000 1.079 452 S CA 1.820 59.914 58.200 -0.177 0.000 1.133 452 S CB -0.568 62.607 63.200 -0.042 0.000 1.005 452 S HN 0.590 nan 8.310 nan 0.000 0.443 453 N N 0.611 119.165 118.700 -0.242 0.000 2.467 453 N HA 0.122 4.864 4.740 0.003 0.000 0.184 453 N C 1.238 176.577 175.510 -0.286 0.000 1.106 453 N CA 0.384 53.255 53.050 -0.298 0.000 0.892 453 N CB -0.110 38.173 38.487 -0.341 0.000 0.969 453 N HN 0.351 nan 8.380 nan 0.000 0.454 454 I N 0.740 121.146 120.570 -0.273 0.000 2.494 454 I HA -0.080 4.092 4.170 0.003 0.000 0.250 454 I C 2.257 178.226 176.117 -0.246 0.000 1.112 454 I CA 0.727 61.895 61.300 -0.220 0.000 1.438 454 I CB -0.604 37.309 38.000 -0.145 0.000 1.111 454 I HN 0.085 nan 8.210 nan 0.000 0.431 455 K N 2.029 122.197 120.400 -0.387 0.000 1.984 455 K HA -0.185 4.137 4.320 0.003 0.000 0.209 455 K C 1.522 178.010 176.600 -0.187 0.000 1.046 455 K CA 1.909 57.991 56.287 -0.342 0.000 0.934 455 K CB -0.158 32.008 32.500 -0.556 0.000 0.717 455 K HN 0.341 nan 8.250 nan 0.000 0.438 456 N N 0.042 118.644 118.700 -0.164 0.000 2.666 456 N HA -0.041 4.700 4.740 0.003 0.000 0.194 456 N C 0.793 176.287 175.510 -0.026 0.000 1.220 456 N CA 1.132 54.157 53.050 -0.042 0.000 0.928 456 N CB -0.409 38.100 38.487 0.036 0.000 0.997 456 N HN 0.434 nan 8.380 nan 0.000 0.447 457 G N -0.746 107.993 108.800 -0.100 0.000 2.203 457 G HA2 -0.313 3.649 3.960 0.003 0.000 0.263 457 G HA3 -0.313 3.649 3.960 0.003 0.000 0.263 457 G C 0.572 175.385 174.900 -0.144 0.000 1.012 457 G CA 0.542 45.586 45.100 -0.094 0.000 0.749 457 G HN 0.403 nan 8.290 nan 0.000 0.512 458 L N 0.068 121.132 121.223 -0.266 0.000 2.072 458 L HA 0.148 4.490 4.340 0.003 0.000 0.205 458 L C 2.927 179.551 176.870 -0.410 0.000 1.079 458 L CA 2.200 56.757 54.840 -0.472 0.000 0.752 458 L CB -0.616 40.956 42.059 -0.811 0.000 0.906 458 L HN 0.207 nan 8.230 nan 0.000 0.436 459 V N -0.004 119.703 119.914 -0.345 0.000 2.252 459 V HA -0.380 3.741 4.120 0.003 0.000 0.249 459 V C 2.614 178.562 176.094 -0.243 0.000 1.056 459 V CA 2.313 64.431 62.300 -0.303 0.000 1.022 459 V CB -0.735 30.940 31.823 -0.247 0.000 0.641 459 V HN 0.500 nan 8.190 nan 0.000 0.445 460 K N -0.352 119.938 120.400 -0.184 0.000 2.026 460 K HA -0.214 4.108 4.320 0.003 0.000 0.208 460 K C 2.155 178.666 176.600 -0.148 0.000 1.048 460 K CA 1.687 57.889 56.287 -0.143 0.000 0.929 460 K CB -0.325 32.114 32.500 -0.102 0.000 0.713 460 K HN 0.307 nan 8.250 nan 0.000 0.439 461 L N 1.697 122.833 121.223 -0.144 0.000 1.990 461 L HA -0.206 4.136 4.340 0.003 0.000 0.213 461 L C 1.948 178.736 176.870 -0.138 0.000 1.072 461 L CA 1.788 56.565 54.840 -0.105 0.000 0.755 461 L CB -0.403 41.615 42.059 -0.068 0.000 0.889 461 L HN 0.288 nan 8.230 nan 0.000 0.432 462 I N -1.611 118.826 120.570 -0.222 0.000 2.179 462 I HA -0.361 3.811 4.170 0.003 0.000 0.242 462 I C 2.538 178.463 176.117 -0.320 0.000 1.088 462 I CA 1.403 62.511 61.300 -0.320 0.000 1.357 462 I CB -0.642 37.009 38.000 -0.582 0.000 1.051 462 I HN 0.380 nan 8.210 nan 0.000 0.409 463 C N 0.585 119.718 119.300 -0.279 0.000 2.432 463 C HA -0.112 4.349 4.460 0.003 0.000 0.277 463 C C 2.785 177.656 174.990 -0.197 0.000 1.249 463 C CA 0.596 59.467 59.018 -0.246 0.000 1.725 463 C CB -0.939 26.673 27.740 -0.213 0.000 2.028 463 C HN 0.484 nan 8.230 nan 0.000 0.477 464 E N 0.890 120.997 120.200 -0.155 0.000 2.038 464 E HA -0.196 4.156 4.350 0.003 0.000 0.195 464 E C 1.980 178.511 176.600 -0.114 0.000 1.000 464 E CA 1.374 57.707 56.400 -0.112 0.000 0.803 464 E CB -0.550 29.096 29.700 -0.089 0.000 0.750 464 E HN 0.563 nan 8.360 nan 0.000 0.448 465 E N 0.533 120.650 120.200 -0.137 0.000 2.150 465 E HA -0.100 4.251 4.350 0.003 0.000 0.193 465 E C 1.862 178.346 176.600 -0.193 0.000 0.985 465 E CA 0.134 56.447 56.400 -0.146 0.000 0.814 465 E CB -0.235 29.374 29.700 -0.151 0.000 0.752 465 E HN 0.031 nan 8.360 nan 0.000 0.466 466 L N 0.923 121.995 121.223 -0.252 0.000 2.131 466 L HA -0.148 4.193 4.340 0.003 0.000 0.210 466 L C 1.625 178.322 176.870 -0.288 0.000 1.092 466 L CA 1.711 56.348 54.840 -0.339 0.000 0.759 466 L CB -0.333 41.486 42.059 -0.400 0.000 0.903 466 L HN 0.050 nan 8.230 nan 0.000 0.435 467 K N -1.767 118.536 120.400 -0.162 0.000 2.209 467 K HA -0.115 4.207 4.320 0.003 0.000 0.204 467 K C 1.827 178.453 176.600 0.044 0.000 1.048 467 K CA 1.645 57.936 56.287 0.007 0.000 0.940 467 K CB -0.213 32.399 32.500 0.187 0.000 0.729 467 K HN 0.350 nan 8.250 nan 0.000 0.451 468 T N 1.154 115.677 114.554 -0.053 0.000 2.814 468 T HA 0.002 4.353 4.350 0.003 0.000 0.254 468 T C 1.851 176.490 174.700 -0.102 0.000 1.037 468 T CA 0.956 63.027 62.100 -0.049 0.000 1.143 468 T CB -0.035 68.796 68.868 -0.062 0.000 0.866 468 T HN 0.114 nan 8.240 nan 0.000 0.431 469 M N 0.730 120.228 119.600 -0.170 0.000 2.296 469 M HA 0.051 4.533 4.480 0.003 0.000 0.265 469 M C 1.635 177.783 176.300 -0.254 0.000 1.064 469 M CA 0.722 55.908 55.300 -0.189 0.000 1.109 469 M CB -0.334 32.140 32.600 -0.211 0.000 1.396 469 M HN 0.086 nan 8.290 nan 0.000 0.430 470 L N 0.725 121.692 121.223 -0.427 0.000 2.447 470 L HA -0.161 4.181 4.340 0.003 0.000 0.225 470 L C 2.226 178.745 176.870 -0.584 0.000 1.148 470 L CA 1.627 56.065 54.840 -0.670 0.000 0.808 470 L CB -1.037 40.289 42.059 -1.221 0.000 0.928 470 L HN 0.332 nan 8.230 nan 0.000 0.448 471 E N -0.221 119.811 120.200 -0.280 0.000 2.122 471 E HA -0.121 4.230 4.350 0.003 0.000 0.190 471 E C 1.445 178.038 176.600 -0.012 0.000 0.977 471 E CA 0.473 56.852 56.400 -0.035 0.000 0.820 471 E CB 0.026 29.756 29.700 0.050 0.000 0.770 471 E HN 0.464 nan 8.360 nan 0.000 0.462 472 K N 1.019 121.399 120.400 -0.034 0.000 2.591 472 K HA 0.154 4.476 4.320 0.003 0.000 0.197 472 K C 0.516 177.135 176.600 0.032 0.000 1.026 472 K CA -0.014 56.276 56.287 0.005 0.000 1.127 472 K CB -0.072 32.429 32.500 0.002 0.000 0.871 472 K HN 0.061 nan 8.250 nan 0.000 0.507 473 I N 3.124 123.702 120.570 0.013 0.000 2.598 473 I HA 0.001 4.173 4.170 0.003 0.000 0.284 473 I C -1.997 174.150 176.117 0.050 0.000 1.140 473 I CA -2.025 59.304 61.300 0.048 0.000 1.420 473 I CB 0.274 38.257 38.000 -0.029 0.000 1.387 473 I HN -0.127 nan 8.210 nan 0.000 0.553 474 P HA -0.004 nan 4.420 nan 0.000 0.265 474 P C -1.398 175.933 177.300 0.051 0.000 1.187 474 P CA 0.214 63.370 63.100 0.093 0.000 0.766 474 P CB 0.399 32.194 31.700 0.158 0.000 0.820 475 K N 0.271 120.706 120.400 0.057 0.000 2.561 475 K HA 0.419 4.741 4.320 0.003 0.000 0.254 475 K C -0.948 175.686 176.600 0.056 0.000 0.942 475 K CA -0.797 55.518 56.287 0.045 0.000 0.818 475 K CB 1.138 33.658 32.500 0.033 0.000 1.306 475 K HN 0.142 nan 8.250 nan 0.000 0.435 476 E N 1.322 121.557 120.200 0.058 0.000 2.436 476 E HA -0.077 4.275 4.350 0.003 0.000 0.262 476 E C 0.353 176.984 176.600 0.051 0.000 1.063 476 E CA 0.206 56.643 56.400 0.062 0.000 0.944 476 E CB 0.721 30.459 29.700 0.063 0.000 0.950 476 E HN 0.788 nan 8.360 nan 0.000 0.444 477 E N 1.824 122.055 120.200 0.051 0.000 2.106 477 E HA -0.264 4.088 4.350 0.003 0.000 0.192 477 E C 1.517 178.141 176.600 0.039 0.000 0.984 477 E CA 1.241 57.667 56.400 0.043 0.000 0.806 477 E CB 0.128 29.854 29.700 0.043 0.000 0.750 477 E HN 0.556 nan 8.360 nan 0.000 0.458 478 Q N 0.772 120.596 119.800 0.040 0.000 2.508 478 Q HA -0.097 4.245 4.340 0.003 0.000 0.214 478 Q C 0.051 176.070 176.000 0.031 0.000 0.979 478 Q CA 0.824 56.649 55.803 0.036 0.000 0.911 478 Q CB -0.268 28.493 28.738 0.038 0.000 0.969 478 Q HN 0.277 nan 8.270 nan 0.000 0.504 479 E N -0.252 119.967 120.200 0.032 0.000 2.359 479 E HA 0.306 4.657 4.350 0.003 0.000 0.266 479 E C -0.419 176.197 176.600 0.027 0.000 0.920 479 E CA -0.891 55.525 56.400 0.027 0.000 0.788 479 E CB 1.083 30.799 29.700 0.026 0.000 1.279 479 E HN 0.032 nan 8.360 nan 0.000 0.438 480 E N 0.023 120.237 120.200 0.023 0.000 2.340 480 E HA 0.100 4.452 4.350 0.003 0.000 0.198 480 E C -0.244 176.372 176.600 0.026 0.000 0.961 480 E CA 0.555 56.970 56.400 0.024 0.000 0.905 480 E CB 0.879 30.591 29.700 0.020 0.000 0.884 480 E HN 0.419 nan 8.360 nan 0.000 0.491 481 T N -0.066 114.503 114.554 0.024 0.000 2.909 481 T HA 0.186 4.538 4.350 0.003 0.000 0.299 481 T C -0.516 174.196 174.700 0.020 0.000 1.073 481 T CA -0.561 61.555 62.100 0.027 0.000 0.999 481 T CB 2.261 71.144 68.868 0.025 0.000 1.098 481 T HN -0.151 nan 8.240 nan 0.000 0.477 482 S N 0.896 116.608 115.700 0.019 0.000 2.549 482 S HA 0.309 4.780 4.470 0.003 0.000 0.286 482 S C 1.332 175.921 174.600 -0.019 0.000 1.314 482 S CA -0.072 58.126 58.200 -0.004 0.000 1.062 482 S CB 0.214 63.399 63.200 -0.025 0.000 0.865 482 S HN 0.821 nan 8.310 nan 0.000 0.498 483 A N 5.160 127.963 122.820 -0.029 0.000 2.208 483 A HA 0.302 4.624 4.320 0.003 0.000 0.209 483 A C 0.658 178.196 177.584 -0.077 0.000 1.161 483 A CA 0.082 52.098 52.037 -0.035 0.000 0.782 483 A CB -0.312 18.676 19.000 -0.020 0.000 0.816 483 A HN 0.808 nan 8.150 nan 0.000 0.477 484 I N 1.767 122.257 120.570 -0.132 0.000 2.416 484 I HA 0.175 4.346 4.170 0.003 0.000 0.288 484 I C 0.435 176.441 176.117 -0.184 0.000 1.051 484 I CA -0.276 60.880 61.300 -0.241 0.000 1.375 484 I CB 0.716 38.416 38.000 -0.501 0.000 1.407 484 I HN 0.317 nan 8.210 nan 0.000 0.516 485 R N 5.050 125.465 120.500 -0.143 0.000 2.606 485 R HA 0.850 5.192 4.340 0.003 0.000 0.249 485 R C -0.925 175.326 176.300 -0.083 0.000 1.127 485 R CA -0.955 55.102 56.100 -0.072 0.000 1.133 485 R CB 1.020 31.292 30.300 -0.047 0.000 1.243 485 R HN 0.306 nan 8.270 nan 0.000 0.558 486 V N -0.956 118.931 119.914 -0.045 0.000 3.040 486 V HA 0.755 4.876 4.120 0.003 0.000 0.312 486 V C -0.135 175.770 176.094 -0.315 0.000 1.115 486 V CA -0.810 61.419 62.300 -0.118 0.000 0.998 486 V CB 2.295 34.109 31.823 -0.015 0.000 1.042 486 V HN 0.982 nan 8.190 nan 0.000 0.433 487 G N 0.594 109.031 108.800 -0.604 0.000 2.659 487 G HA2 0.783 4.744 3.960 0.003 0.000 0.296 487 G HA3 0.783 4.744 3.960 0.003 0.000 0.296 487 G C -1.920 172.525 174.900 -0.759 0.000 1.369 487 G CA -0.436 44.191 45.100 -0.789 0.000 0.937 487 G HN 0.352 nan 8.290 nan 0.000 0.485 488 F N 0.100 120.140 119.950 0.150 0.000 2.551 488 F HA 0.749 5.278 4.527 0.003 0.000 0.316 488 F C 0.148 176.330 175.800 0.636 0.000 1.089 488 F CA -0.777 57.441 58.000 0.362 0.000 0.915 488 F CB 2.613 41.735 39.000 0.203 0.000 1.186 488 F HN 0.186 nan 8.300 nan 0.000 0.456 489 I N 1.141 122.111 120.570 0.667 0.000 2.913 489 I HA 0.538 4.710 4.170 0.003 0.000 0.302 489 I C -0.844 175.543 176.117 0.449 0.000 1.246 489 I CA -0.651 60.955 61.300 0.511 0.000 1.010 489 I CB 3.096 41.208 38.000 0.186 0.000 1.259 489 I HN 0.708 nan 8.210 nan 0.000 0.434 490 T N 0.682 115.468 114.554 0.386 0.000 2.901 490 T HA 0.858 5.209 4.350 0.003 0.000 0.293 490 T C -1.072 173.743 174.700 0.191 0.000 1.084 490 T CA -0.704 61.447 62.100 0.086 0.000 1.008 490 T CB 2.277 71.034 68.868 -0.185 0.000 1.170 490 T HN 0.678 nan 8.240 nan 0.000 0.509 491 Y N -1.242 119.044 120.300 -0.023 0.000 2.779 491 Y HA 0.726 5.278 4.550 0.003 0.000 0.340 491 Y C -2.005 173.945 175.900 0.082 0.000 1.252 491 Y CA -1.377 56.812 58.100 0.149 0.000 1.072 491 Y CB 0.758 39.274 38.460 0.095 0.000 1.343 491 Y HN 0.997 nan 8.280 nan 0.000 0.450 492 N N 0.411 119.360 118.700 0.414 0.000 3.987 492 N HA 0.117 4.859 4.740 0.003 0.000 0.170 492 N C -0.720 174.953 175.510 0.272 0.000 1.436 492 N CA -0.511 52.715 53.050 0.294 0.000 0.843 492 N CB 0.482 39.064 38.487 0.160 0.000 1.734 492 N HN 1.164 nan 8.380 nan 0.000 0.746 493 K N -1.627 118.933 120.400 0.266 0.000 3.577 493 K HA -0.287 4.034 4.320 0.003 0.000 0.300 493 K C -1.448 175.222 176.600 0.117 0.000 1.235 493 K CA 1.823 58.210 56.287 0.167 0.000 1.028 493 K CB -1.558 31.026 32.500 0.139 0.000 1.306 493 K HN 0.313 nan 8.250 nan 0.000 0.432 494 V N 1.536 121.534 119.914 0.140 0.000 2.888 494 V HA 0.481 4.602 4.120 0.003 0.000 0.309 494 V C -0.541 175.538 176.094 -0.025 0.000 1.114 494 V CA -0.958 61.353 62.300 0.018 0.000 0.940 494 V CB 1.890 33.699 31.823 -0.023 0.000 1.021 494 V HN 0.250 nan 8.190 nan 0.000 0.426 495 L N 4.101 125.229 121.223 -0.158 0.000 2.307 495 L HA 0.602 4.944 4.340 0.003 0.000 0.282 495 L C -1.042 175.605 176.870 -0.372 0.000 1.051 495 L CA -0.691 54.038 54.840 -0.184 0.000 0.804 495 L CB 1.154 43.046 42.059 -0.278 0.000 1.197 495 L HN 0.719 nan 8.230 nan 0.000 0.431 496 H N 2.535 121.503 119.070 -0.170 0.000 2.725 496 H HA 0.423 4.981 4.556 0.003 0.000 0.283 496 H C -0.685 174.309 175.328 -0.556 0.000 1.110 496 H CA -0.500 55.400 56.048 -0.246 0.000 1.289 496 H CB 0.420 30.143 29.762 -0.065 0.000 1.400 496 H HN 0.265 nan 8.280 nan 0.000 0.493 497 F N 1.849 121.597 119.950 -0.335 0.000 2.380 497 F HA 0.421 4.950 4.527 0.003 0.000 0.325 497 F C -0.003 175.526 175.800 -0.451 0.000 1.136 497 F CA -0.267 57.590 58.000 -0.237 0.000 1.171 497 F CB 0.711 39.566 39.000 -0.242 0.000 1.230 497 F HN 0.303 nan 8.300 nan 0.000 0.554 498 F N 0.827 121.108 119.950 0.551 0.000 2.556 498 F HA 0.289 4.817 4.527 0.003 0.000 0.314 498 F C -0.224 175.835 175.800 0.432 0.000 1.106 498 F CA -1.133 57.114 58.000 0.413 0.000 0.911 498 F CB 1.315 40.521 39.000 0.344 0.000 1.190 498 F HN 0.294 nan 8.300 nan 0.000 0.448 499 N N 1.954 120.928 118.700 0.458 0.000 2.422 499 N HA 0.392 5.134 4.740 0.003 0.000 0.266 499 N C -0.854 174.826 175.510 0.283 0.000 1.007 499 N CA -0.141 53.113 53.050 0.340 0.000 0.941 499 N CB 1.564 40.186 38.487 0.226 0.000 1.115 499 N HN 0.436 nan 8.380 nan 0.000 0.492 500 V N 3.742 123.807 119.914 0.253 0.000 2.727 500 V HA 0.196 4.318 4.120 0.003 0.000 0.336 500 V C 0.753 176.921 176.094 0.123 0.000 1.228 500 V CA -0.652 61.751 62.300 0.170 0.000 1.270 500 V CB -0.403 31.528 31.823 0.180 0.000 1.486 500 V HN 0.585 nan 8.190 nan 0.000 0.638 501 K N 1.384 121.852 120.400 0.114 0.000 2.380 501 K HA 0.083 4.404 4.320 0.003 0.000 0.267 501 K C 1.061 177.693 176.600 0.052 0.000 0.990 501 K CA 0.474 56.810 56.287 0.082 0.000 0.946 501 K CB 0.577 33.124 32.500 0.077 0.000 0.937 501 K HN 0.538 nan 8.250 nan 0.000 0.491 502 S N 2.149 117.871 115.700 0.036 0.000 3.456 502 S HA 0.060 4.531 4.470 0.003 0.000 0.229 502 S C -0.320 174.289 174.600 0.014 0.000 1.416 502 S CA -0.063 58.146 58.200 0.015 0.000 1.197 502 S CB -0.980 62.223 63.200 0.005 0.000 1.201 502 S HN 0.734 nan 8.310 nan 0.000 0.479 503 N N -0.201 118.512 118.700 0.021 0.000 2.278 503 N HA 0.172 4.914 4.740 0.003 0.000 0.239 503 N C -1.035 174.489 175.510 0.023 0.000 1.411 503 N CA -0.455 52.606 53.050 0.019 0.000 0.908 503 N CB -0.350 38.149 38.487 0.020 0.000 1.307 503 N HN 0.400 nan 8.380 nan 0.000 0.522 504 L N 0.395 121.634 121.223 0.026 0.000 2.381 504 L HA 0.806 5.147 4.340 0.003 0.000 0.274 504 L C 0.780 177.663 176.870 0.021 0.000 0.988 504 L CA -0.864 53.995 54.840 0.031 0.000 0.824 504 L CB 2.012 44.101 42.059 0.049 0.000 1.263 504 L HN 0.213 nan 8.230 nan 0.000 0.410 505 A N 2.671 125.501 122.820 0.016 0.000 2.067 505 A HA -0.001 4.320 4.320 0.003 0.000 0.217 505 A C 0.708 178.298 177.584 0.010 0.000 1.156 505 A CA 0.874 52.916 52.037 0.008 0.000 0.683 505 A CB 0.084 19.087 19.000 0.005 0.000 0.808 505 A HN 0.743 nan 8.150 nan 0.000 0.455 506 Q N 0.168 119.981 119.800 0.022 0.000 2.356 506 Q HA 0.432 4.774 4.340 0.003 0.000 0.270 506 Q C -3.015 173.016 176.000 0.051 0.000 1.058 506 Q CA -2.537 53.283 55.803 0.028 0.000 0.802 506 Q CB 2.810 31.565 28.738 0.029 0.000 1.303 506 Q HN 0.145 nan 8.270 nan 0.000 0.444 507 P HA 0.128 nan 4.420 nan 0.000 0.282 507 P C -1.270 176.129 177.300 0.165 0.000 1.249 507 P CA -0.208 62.960 63.100 0.115 0.000 0.806 507 P CB 1.272 33.026 31.700 0.090 0.000 0.984 508 Q N 1.256 121.178 119.800 0.203 0.000 2.226 508 Q HA 0.615 4.957 4.340 0.003 0.000 0.256 508 Q C -0.276 175.878 176.000 0.257 0.000 0.962 508 Q CA -0.675 55.241 55.803 0.189 0.000 0.887 508 Q CB 2.145 30.966 28.738 0.139 0.000 1.282 508 Q HN 0.467 nan 8.270 nan 0.000 0.449 509 M N 2.921 122.628 119.600 0.177 0.000 2.253 509 M HA 0.477 4.958 4.480 0.003 0.000 0.314 509 M C -1.825 174.483 176.300 0.013 0.000 1.019 509 M CA -0.428 54.913 55.300 0.068 0.000 0.932 509 M CB 1.259 33.933 32.600 0.124 0.000 1.606 509 M HN 0.659 nan 8.290 nan 0.000 0.430 510 M N 5.465 125.046 119.600 -0.033 0.000 2.134 510 M HA 0.434 4.916 4.480 0.003 0.000 0.310 510 M C -1.186 175.108 176.300 -0.010 0.000 0.966 510 M CA -0.871 54.424 55.300 -0.008 0.000 0.922 510 M CB 1.883 34.472 32.600 -0.018 0.000 1.537 510 M HN 0.340 nan 8.290 nan 0.000 0.424 511 V N 4.415 124.307 119.914 -0.036 0.000 2.383 511 V HA 0.375 4.497 4.120 0.003 0.000 0.275 511 V C -0.073 175.966 176.094 -0.091 0.000 1.036 511 V CA -0.714 61.528 62.300 -0.097 0.000 0.889 511 V CB 1.570 33.325 31.823 -0.114 0.000 0.985 511 V HN 0.603 nan 8.190 nan 0.000 0.459 512 V N 4.594 124.439 119.914 -0.116 0.000 2.398 512 V HA 0.333 4.455 4.120 0.003 0.000 0.286 512 V C 0.858 176.880 176.094 -0.121 0.000 1.026 512 V CA -0.043 62.149 62.300 -0.179 0.000 0.868 512 V CB 1.589 33.197 31.823 -0.358 0.000 0.982 512 V HN 0.997 nan 8.190 nan 0.000 0.443 513 T N 1.146 115.665 114.554 -0.059 0.000 3.010 513 T HA 0.045 4.397 4.350 0.003 0.000 0.257 513 T C 0.857 175.561 174.700 0.008 0.000 1.020 513 T CA -0.016 62.069 62.100 -0.025 0.000 0.938 513 T CB -0.052 68.815 68.868 -0.003 0.000 1.049 513 T HN 0.659 nan 8.240 nan 0.000 0.522 514 D N 3.107 123.527 120.400 0.032 0.000 2.982 514 D HA 0.122 4.764 4.640 0.003 0.000 0.238 514 D C 0.174 176.504 176.300 0.050 0.000 1.168 514 D CA -0.149 53.896 54.000 0.075 0.000 0.947 514 D CB -0.759 40.150 40.800 0.182 0.000 1.147 514 D HN 0.054 nan 8.370 nan 0.000 0.450 515 V N 0.488 120.412 119.914 0.017 0.000 2.999 515 V HA 0.393 4.514 4.120 0.003 0.000 0.307 515 V C 1.894 178.000 176.094 0.019 0.000 1.084 515 V CA 0.990 63.292 62.300 0.004 0.000 1.155 515 V CB 1.026 32.850 31.823 0.002 0.000 0.975 515 V HN 0.667 nan 8.190 nan 0.000 0.490 516 G N 3.049 111.855 108.800 0.010 0.000 2.397 516 G HA2 -0.206 3.756 3.960 0.003 0.000 0.211 516 G HA3 -0.206 3.756 3.960 0.003 0.000 0.211 516 G C 0.326 175.239 174.900 0.022 0.000 1.077 516 G CA 0.333 45.440 45.100 0.012 0.000 0.649 516 G HN 0.759 nan 8.290 nan 0.000 0.511 517 E N 0.794 121.024 120.200 0.050 0.000 4.230 517 E HA 0.469 4.820 4.350 0.003 0.000 0.216 517 E C 0.438 177.129 176.600 0.152 0.000 1.132 517 E CA -0.267 56.177 56.400 0.074 0.000 1.404 517 E CB 0.670 30.407 29.700 0.063 0.000 1.183 517 E HN 0.377 nan 8.360 nan 0.000 0.431 518 V N 1.663 121.635 119.914 0.098 0.000 3.209 518 V HA 0.113 4.234 4.120 0.003 0.000 0.305 518 V C 0.199 176.401 176.094 0.180 0.000 1.127 518 V CA 0.678 63.022 62.300 0.073 0.000 1.235 518 V CB -0.406 31.417 31.823 -0.000 0.000 0.987 518 V HN 0.412 nan 8.190 nan 0.000 0.499 519 F N -0.018 119.911 119.950 -0.034 0.000 2.741 519 F HA 0.720 5.249 4.527 0.003 0.000 0.311 519 F C -1.103 174.549 175.800 -0.247 0.000 1.149 519 F CA -1.452 56.483 58.000 -0.109 0.000 0.930 519 F CB 1.325 40.254 39.000 -0.118 0.000 1.312 519 F HN 0.175 nan 8.300 nan 0.000 0.450 520 V N 2.751 122.526 119.914 -0.231 0.000 2.348 520 V HA 0.332 4.454 4.120 0.003 0.000 0.270 520 V C -1.592 174.204 176.094 -0.496 0.000 1.037 520 V CA -1.258 60.597 62.300 -0.741 0.000 0.872 520 V CB 1.058 32.581 31.823 -0.498 0.000 1.002 520 V HN 0.740 nan 8.190 nan 0.000 0.464 521 P HA 0.166 nan 4.420 nan 0.000 0.263 521 P C -0.191 176.968 177.300 -0.235 0.000 1.386 521 P CA 0.493 63.430 63.100 -0.272 0.000 0.797 521 P CB 0.588 32.094 31.700 -0.322 0.000 1.381 522 L N -0.957 120.088 121.223 -0.295 0.000 2.630 522 L HA 0.584 4.926 4.340 0.003 0.000 0.258 522 L C -1.222 175.616 176.870 -0.053 0.000 1.072 522 L CA -1.149 53.611 54.840 -0.132 0.000 0.885 522 L CB 2.520 44.529 42.059 -0.083 0.000 1.502 522 L HN -0.223 nan 8.230 nan 0.000 0.406 523 L N 1.388 122.640 121.223 0.047 0.000 2.830 523 L HA 0.266 4.607 4.340 0.003 0.000 0.259 523 L C -2.109 174.820 176.870 0.098 0.000 0.926 523 L CA -0.483 54.408 54.840 0.085 0.000 0.993 523 L CB 1.901 43.984 42.059 0.039 0.000 1.589 523 L HN 0.706 nan 8.230 nan 0.000 0.460 524 D N 3.788 124.260 120.400 0.121 0.000 4.736 524 D HA -0.055 4.586 4.640 0.003 0.000 0.234 524 D C 0.645 177.025 176.300 0.134 0.000 1.210 524 D CA 1.903 55.965 54.000 0.103 0.000 1.126 524 D CB -0.333 40.508 40.800 0.069 0.000 0.669 524 D HN 1.150 nan 8.370 nan 0.000 0.319 525 G N 1.366 110.259 108.800 0.156 0.000 2.253 525 G HA2 -0.245 3.716 3.960 0.003 0.000 0.209 525 G HA3 -0.245 3.716 3.960 0.003 0.000 0.209 525 G C -0.065 175.008 174.900 0.288 0.000 0.997 525 G CA -0.030 45.184 45.100 0.190 0.000 0.640 525 G HN 0.584 nan 8.290 nan 0.000 0.496 526 F N 2.544 122.574 119.950 0.134 0.000 2.434 526 F HA 0.730 5.258 4.527 0.003 0.000 0.355 526 F C 0.238 176.116 175.800 0.130 0.000 1.115 526 F CA -1.001 57.101 58.000 0.170 0.000 1.010 526 F CB 0.665 39.757 39.000 0.154 0.000 1.234 526 F HN 0.336 nan 8.300 nan 0.000 0.439 527 L N 6.627 127.693 121.223 -0.263 0.000 1.872 527 L HA -0.070 4.272 4.340 0.003 0.000 0.680 527 L C -1.562 175.292 176.870 -0.026 0.000 1.061 527 L CA -0.303 54.434 54.840 -0.173 0.000 1.398 527 L CB -1.588 40.421 42.059 -0.082 0.000 2.202 527 L HN 0.368 nan 8.230 nan 0.000 1.010 528 V N -0.137 119.781 119.914 0.006 0.000 3.158 528 V HA 0.413 4.535 4.120 0.003 0.000 0.311 528 V C 0.279 176.405 176.094 0.053 0.000 1.181 528 V CA -0.772 61.555 62.300 0.045 0.000 1.054 528 V CB 2.254 34.123 31.823 0.077 0.000 1.085 528 V HN 0.637 nan 8.190 nan 0.000 0.446 529 N N -0.181 118.546 118.700 0.044 0.000 2.420 529 N HA 0.080 4.822 4.740 0.003 0.000 0.262 529 N C 0.650 176.206 175.510 0.077 0.000 1.144 529 N CA -0.320 52.760 53.050 0.050 0.000 0.952 529 N CB 0.430 38.929 38.487 0.021 0.000 1.081 529 N HN 0.819 nan 8.380 nan 0.000 0.480 530 Y N 4.206 124.515 120.300 0.015 0.000 2.193 530 Y HA -0.276 4.275 4.550 0.002 0.000 0.285 530 Y C 1.851 177.754 175.900 0.005 0.000 1.166 530 Y CA 1.705 59.818 58.100 0.021 0.000 1.181 530 Y CB 0.067 38.538 38.460 0.018 0.000 0.976 530 Y HN 0.669 nan 8.280 nan 0.000 0.520 531 Q N 0.384 120.094 119.800 -0.151 0.000 2.016 531 Q HA -0.165 4.177 4.340 0.003 0.000 0.200 531 Q C 2.033 177.917 176.000 -0.193 0.000 0.978 531 Q CA 1.653 57.322 55.803 -0.223 0.000 0.833 531 Q CB -0.520 28.191 28.738 -0.046 0.000 0.895 531 Q HN 0.559 nan 8.270 nan 0.000 0.427 532 E N 0.968 121.109 120.200 -0.099 0.000 2.085 532 E HA -0.071 4.281 4.350 0.003 0.000 0.194 532 E C 1.420 177.972 176.600 -0.081 0.000 0.994 532 E CA 0.995 57.354 56.400 -0.067 0.000 0.801 532 E CB -0.128 29.556 29.700 -0.027 0.000 0.743 532 E HN 0.179 nan 8.360 nan 0.000 0.453 533 S N 1.066 116.708 115.700 -0.096 0.000 2.583 533 S HA 0.056 4.528 4.470 0.003 0.000 0.239 533 S C 1.382 175.887 174.600 -0.159 0.000 0.966 533 S CA -0.221 57.932 58.200 -0.078 0.000 0.973 533 S CB 0.590 63.786 63.200 -0.007 0.000 0.794 533 S HN 0.224 nan 8.310 nan 0.000 0.463 534 Q N 2.672 122.296 119.800 -0.292 0.000 1.991 534 Q HA -0.280 4.062 4.340 0.003 0.000 0.213 534 Q C 2.160 178.114 176.000 -0.078 0.000 1.022 534 Q CA 2.713 58.277 55.803 -0.397 0.000 0.877 534 Q CB -0.421 28.103 28.738 -0.356 0.000 0.970 534 Q HN 0.678 nan 8.270 nan 0.000 0.414 535 S N -0.784 114.915 115.700 -0.001 0.000 2.400 535 S HA -0.142 4.329 4.470 0.003 0.000 0.232 535 S C 1.956 176.562 174.600 0.009 0.000 1.025 535 S CA 1.597 59.824 58.200 0.044 0.000 0.993 535 S CB -0.751 62.444 63.200 -0.008 0.000 0.808 535 S HN 0.328 nan 8.310 nan 0.000 0.478 536 V N 2.090 121.984 119.914 -0.034 0.000 2.379 536 V HA -0.065 4.056 4.120 0.003 0.000 0.245 536 V C 2.464 178.498 176.094 -0.100 0.000 1.044 536 V CA 1.557 63.833 62.300 -0.041 0.000 1.036 536 V CB -0.925 30.887 31.823 -0.018 0.000 0.664 536 V HN 0.464 nan 8.190 nan 0.000 0.453 537 I N -0.555 119.918 120.570 -0.163 0.000 2.142 537 I HA -0.226 3.946 4.170 0.003 0.000 0.240 537 I C 2.716 178.616 176.117 -0.362 0.000 1.078 537 I CA 1.643 62.737 61.300 -0.343 0.000 1.343 537 I CB -0.744 37.057 38.000 -0.331 0.000 1.046 537 I HN 0.340 nan 8.210 nan 0.000 0.405 538 H N 0.726 119.696 119.070 -0.167 0.000 2.319 538 H HA -0.212 4.346 4.556 0.003 0.000 0.297 538 H C 2.142 177.373 175.328 -0.162 0.000 1.097 538 H CA 1.691 57.652 56.048 -0.145 0.000 1.285 538 H CB -0.696 29.010 29.762 -0.092 0.000 1.368 538 H HN 0.374 nan 8.280 nan 0.000 0.495 539 N N 1.132 119.827 118.700 -0.007 0.000 2.021 539 N HA -0.166 4.575 4.740 0.003 0.000 0.198 539 N C 2.217 177.662 175.510 -0.108 0.000 1.041 539 N CA 1.552 54.572 53.050 -0.049 0.000 0.862 539 N CB -0.434 38.029 38.487 -0.039 0.000 1.048 539 N HN 0.250 nan 8.380 nan 0.000 0.427 540 L N 1.377 122.495 121.223 -0.175 0.000 2.042 540 L HA -0.076 4.266 4.340 0.003 0.000 0.210 540 L C 2.310 178.990 176.870 -0.316 0.000 1.076 540 L CA 1.394 56.072 54.840 -0.271 0.000 0.749 540 L CB -0.784 41.041 42.059 -0.390 0.000 0.893 540 L HN 0.227 nan 8.230 nan 0.000 0.432 541 L N -0.503 120.523 121.223 -0.328 0.000 2.083 541 L HA -0.199 4.142 4.340 0.003 0.000 0.209 541 L C 2.252 179.014 176.870 -0.180 0.000 1.083 541 L CA 1.288 55.953 54.840 -0.291 0.000 0.752 541 L CB -0.799 41.085 42.059 -0.291 0.000 0.899 541 L HN 0.351 nan 8.230 nan 0.000 0.433 542 D N -0.572 119.752 120.400 -0.127 0.000 2.144 542 D HA -0.174 4.467 4.640 0.003 0.000 0.200 542 D C 2.227 178.474 176.300 -0.088 0.000 0.978 542 D CA 1.057 55.004 54.000 -0.089 0.000 0.833 542 D CB 0.019 40.781 40.800 -0.064 0.000 0.961 542 D HN 0.436 nan 8.370 nan 0.000 0.470 543 Q N 0.183 119.923 119.800 -0.100 0.000 2.049 543 Q HA -0.027 4.314 4.340 0.003 0.000 0.198 543 Q C 2.576 178.540 176.000 -0.062 0.000 0.971 543 Q CA 0.390 56.146 55.803 -0.079 0.000 0.833 543 Q CB 0.089 28.782 28.738 -0.075 0.000 0.896 543 Q HN 0.290 nan 8.270 nan 0.000 0.434 544 I N 1.127 121.644 120.570 -0.089 0.000 2.121 544 I HA -0.327 3.845 4.170 0.003 0.000 0.243 544 I C -0.830 175.340 176.117 0.089 0.000 1.047 544 I CA 1.600 62.908 61.300 0.014 0.000 1.308 544 I CB -1.615 36.322 38.000 -0.105 0.000 1.015 544 I HN 0.192 nan 8.210 nan 0.000 0.410 545 P HA -0.159 nan 4.420 nan 0.000 0.215 545 P C 1.126 178.434 177.300 0.012 0.000 1.157 545 P CA 1.626 64.717 63.100 -0.015 0.000 0.874 545 P CB -0.045 31.617 31.700 -0.063 0.000 0.790 546 D N -1.244 119.148 120.400 -0.012 0.000 2.084 546 D HA -0.144 4.497 4.640 0.003 0.000 0.196 546 D C 1.973 178.254 176.300 -0.031 0.000 0.985 546 D CA 1.110 55.098 54.000 -0.021 0.000 0.826 546 D CB -0.717 40.062 40.800 -0.035 0.000 0.978 546 D HN 0.088 nan 8.370 nan 0.000 0.456 547 M N -0.426 119.139 119.600 -0.060 0.000 2.124 547 M HA -0.266 4.216 4.480 0.003 0.000 0.253 547 M C 1.375 177.458 176.300 -0.361 0.000 1.077 547 M CA 1.864 57.037 55.300 -0.212 0.000 1.085 547 M CB -0.121 32.339 32.600 -0.234 0.000 1.320 547 M HN -0.021 nan 8.290 nan 0.000 0.404 548 F N -1.531 118.393 119.950 -0.042 0.000 2.695 548 F HA 0.313 4.841 4.527 0.003 0.000 0.303 548 F C 1.934 177.717 175.800 -0.027 0.000 1.091 548 F CA 0.204 58.180 58.000 -0.041 0.000 1.300 548 F CB -0.632 38.317 39.000 -0.084 0.000 1.071 548 F HN 0.114 nan 8.300 nan 0.000 0.578 549 A N 0.361 123.238 122.820 0.096 0.000 1.929 549 A HA -0.274 4.048 4.320 0.003 0.000 0.221 549 A C 1.846 179.473 177.584 0.072 0.000 1.211 549 A CA 2.530 54.599 52.037 0.053 0.000 0.657 549 A CB -0.686 18.324 19.000 0.016 0.000 0.827 549 A HN 0.284 nan 8.150 nan 0.000 0.462 550 D N -0.372 120.067 120.400 0.063 0.000 2.339 550 D HA 0.117 4.758 4.640 0.003 0.000 0.217 550 D C 0.560 176.926 176.300 0.109 0.000 1.050 550 D CA 0.341 54.388 54.000 0.077 0.000 0.856 550 D CB -0.072 40.752 40.800 0.040 0.000 0.922 550 D HN 0.319 nan 8.370 nan 0.000 0.518 551 S N 0.708 116.495 115.700 0.146 0.000 2.558 551 S HA -0.083 4.389 4.470 0.003 0.000 0.293 551 S C 0.865 175.580 174.600 0.192 0.000 1.292 551 S CA 0.021 58.331 58.200 0.184 0.000 1.063 551 S CB 0.452 63.820 63.200 0.280 0.000 0.831 551 S HN 0.027 nan 8.310 nan 0.000 0.499 552 N N 1.991 120.769 118.700 0.129 0.000 2.238 552 N HA 0.205 4.946 4.740 0.003 0.000 0.235 552 N C -0.943 174.592 175.510 0.042 0.000 1.209 552 N CA -0.207 52.873 53.050 0.050 0.000 0.879 552 N CB 0.413 38.891 38.487 -0.015 0.000 1.136 552 N HN 0.498 nan 8.380 nan 0.000 0.517 553 E N 0.166 120.437 120.200 0.118 0.000 2.313 553 E HA 0.203 4.555 4.350 0.003 0.000 0.276 553 E C 0.208 176.883 176.600 0.125 0.000 1.031 553 E CA 0.081 56.548 56.400 0.112 0.000 0.857 553 E CB 0.832 30.618 29.700 0.142 0.000 1.040 553 E HN 0.286 nan 8.360 nan 0.000 0.408 554 N N 1.838 120.594 118.700 0.095 0.000 2.445 554 N HA 0.009 4.751 4.740 0.003 0.000 0.204 554 N C -0.317 175.252 175.510 0.098 0.000 1.098 554 N CA 0.133 53.245 53.050 0.102 0.000 0.859 554 N CB 0.697 39.226 38.487 0.070 0.000 1.249 554 N HN 0.438 nan 8.380 nan 0.000 0.462 555 E N 1.384 121.644 120.200 0.099 0.000 2.343 555 E HA 0.233 4.585 4.350 0.003 0.000 0.269 555 E C 0.036 176.727 176.600 0.152 0.000 1.047 555 E CA 0.113 56.582 56.400 0.115 0.000 0.874 555 E CB 1.149 30.910 29.700 0.101 0.000 1.033 555 E HN 0.172 nan 8.360 nan 0.000 0.409 556 T N -2.001 112.671 114.554 0.196 0.000 2.865 556 T HA 0.601 4.953 4.350 0.003 0.000 0.294 556 T C -0.130 174.747 174.700 0.297 0.000 1.119 556 T CA -0.963 61.311 62.100 0.290 0.000 1.007 556 T CB 1.106 70.215 68.868 0.401 0.000 1.225 556 T HN 0.265 nan 8.240 nan 0.000 0.515 557 V N -0.834 119.256 119.914 0.294 0.000 3.193 557 V HA 0.862 4.983 4.120 0.003 0.000 0.320 557 V C 0.169 176.381 176.094 0.197 0.000 1.112 557 V CA -0.671 61.741 62.300 0.187 0.000 1.026 557 V CB 1.454 33.317 31.823 0.067 0.000 1.128 557 V HN 1.000 nan 8.190 nan 0.000 0.452 558 F N -0.073 119.835 119.950 -0.070 0.000 1.975 558 F HA 0.508 5.036 4.527 0.003 0.000 0.259 558 F C 2.185 177.906 175.800 -0.131 0.000 1.011 558 F CA 0.986 58.879 58.000 -0.178 0.000 1.196 558 F CB -0.166 38.745 39.000 -0.147 0.000 1.427 558 F HN 0.609 nan 8.300 nan 0.000 0.669 559 A N 1.430 124.267 122.820 0.028 0.000 1.892 559 A HA -0.100 4.221 4.320 0.003 0.000 0.218 559 A C -0.574 176.881 177.584 -0.214 0.000 1.188 559 A CA 2.369 54.335 52.037 -0.119 0.000 0.631 559 A CB -2.201 16.674 19.000 -0.209 0.000 0.822 559 A HN 0.382 nan 8.150 nan 0.000 0.447 560 P HA -0.131 nan 4.420 nan 0.000 0.216 560 P C 1.581 178.743 177.300 -0.230 0.000 1.150 560 P CA 1.470 64.472 63.100 -0.163 0.000 0.843 560 P CB -0.138 31.488 31.700 -0.124 0.000 0.787 561 V N -0.528 119.151 119.914 -0.392 0.000 2.295 561 V HA -0.232 3.890 4.120 0.003 0.000 0.246 561 V C 2.339 178.236 176.094 -0.329 0.000 1.049 561 V CA 1.675 63.696 62.300 -0.465 0.000 1.024 561 V CB -1.050 30.284 31.823 -0.815 0.000 0.648 561 V HN 0.069 nan 8.190 nan 0.000 0.447 562 I N -0.231 120.104 120.570 -0.392 0.000 2.226 562 I HA -0.275 3.896 4.170 0.003 0.000 0.245 562 I C 2.676 178.719 176.117 -0.123 0.000 1.100 562 I CA 1.639 62.791 61.300 -0.247 0.000 1.374 562 I CB -0.368 37.483 38.000 -0.247 0.000 1.057 562 I HN 0.350 nan 8.210 nan 0.000 0.413 563 Q N 1.391 121.118 119.800 -0.123 0.000 2.077 563 Q HA -0.223 4.119 4.340 0.003 0.000 0.206 563 Q C 2.126 178.112 176.000 -0.024 0.000 0.989 563 Q CA 2.558 58.324 55.803 -0.061 0.000 0.853 563 Q CB -0.316 28.381 28.738 -0.068 0.000 0.907 563 Q HN 0.507 nan 8.270 nan 0.000 0.418 564 A N -0.334 122.472 122.820 -0.024 0.000 1.855 564 A HA -0.000 4.321 4.320 0.003 0.000 0.215 564 A C 2.358 180.002 177.584 0.100 0.000 1.191 564 A CA 1.585 53.661 52.037 0.065 0.000 0.613 564 A CB -1.514 17.555 19.000 0.116 0.000 0.829 564 A HN 0.562 nan 8.150 nan 0.000 0.442 565 G N -0.701 108.145 108.800 0.077 0.000 2.469 565 G HA2 -0.312 3.650 3.960 0.003 0.000 0.219 565 G HA3 -0.312 3.650 3.960 0.003 0.000 0.219 565 G C 1.635 176.597 174.900 0.103 0.000 1.150 565 G CA 1.366 46.545 45.100 0.132 0.000 0.763 565 G HN 0.440 nan 8.290 nan 0.000 0.561 566 M N 0.014 119.643 119.600 0.049 0.000 2.067 566 M HA -0.047 4.435 4.480 0.003 0.000 0.260 566 M C 2.463 178.770 176.300 0.012 0.000 1.069 566 M CA 2.079 57.403 55.300 0.041 0.000 1.117 566 M CB -0.299 32.325 32.600 0.039 0.000 1.334 566 M HN 0.229 nan 8.290 nan 0.000 0.407 567 E N 0.430 120.632 120.200 0.002 0.000 2.097 567 E HA -0.152 4.200 4.350 0.003 0.000 0.196 567 E C 1.872 178.468 176.600 -0.006 0.000 1.000 567 E CA 2.070 58.453 56.400 -0.030 0.000 0.804 567 E CB -0.358 29.335 29.700 -0.010 0.000 0.740 567 E HN 0.600 nan 8.360 nan 0.000 0.454 568 A N 0.110 122.967 122.820 0.060 0.000 1.908 568 A HA -0.183 4.139 4.320 0.003 0.000 0.218 568 A C 2.266 179.931 177.584 0.134 0.000 1.181 568 A CA 1.527 53.645 52.037 0.136 0.000 0.627 568 A CB -0.719 18.500 19.000 0.365 0.000 0.818 568 A HN 0.300 nan 8.150 nan 0.000 0.445 569 L N -0.814 120.470 121.223 0.101 0.000 2.056 569 L HA -0.162 4.180 4.340 0.003 0.000 0.207 569 L C 2.638 179.514 176.870 0.009 0.000 1.078 569 L CA 1.730 56.606 54.840 0.059 0.000 0.749 569 L CB -0.455 41.634 42.059 0.051 0.000 0.901 569 L HN 0.425 nan 8.230 nan 0.000 0.433 570 K N 0.526 120.894 120.400 -0.054 0.000 2.113 570 K HA -0.235 4.086 4.320 0.003 0.000 0.208 570 K C 2.073 178.629 176.600 -0.074 0.000 1.047 570 K CA 1.562 57.761 56.287 -0.146 0.000 0.928 570 K CB -0.049 32.228 32.500 -0.371 0.000 0.716 570 K HN 0.302 nan 8.250 nan 0.000 0.446 571 A N 0.934 123.730 122.820 -0.039 0.000 1.873 571 A HA -0.032 4.290 4.320 0.003 0.000 0.215 571 A C 2.197 179.789 177.584 0.012 0.000 1.186 571 A CA 1.678 53.707 52.037 -0.013 0.000 0.616 571 A CB -0.618 18.380 19.000 -0.003 0.000 0.823 571 A HN 0.430 nan 8.150 nan 0.000 0.442 572 A N -1.074 121.767 122.820 0.035 0.000 2.239 572 A HA 0.111 4.433 4.320 0.003 0.000 0.209 572 A C 0.850 178.445 177.584 0.018 0.000 1.171 572 A CA 0.979 53.039 52.037 0.037 0.000 0.768 572 A CB -0.573 18.459 19.000 0.054 0.000 0.790 572 A HN 0.610 nan 8.150 nan 0.000 0.478 573 D N -0.608 119.799 120.400 0.011 0.000 2.697 573 D HA -0.182 4.459 4.640 0.003 0.000 0.235 573 D C -0.157 176.150 176.300 0.012 0.000 1.167 573 D CA 1.195 55.203 54.000 0.013 0.000 0.656 573 D CB -1.570 39.238 40.800 0.014 0.000 1.025 573 D HN 0.788 nan 8.370 nan 0.000 0.419 574 C N -1.373 117.931 119.300 0.006 0.000 3.173 574 C HA 0.868 5.330 4.460 0.003 0.000 0.310 574 C C -2.631 172.341 174.990 -0.030 0.000 1.306 574 C CA -1.499 57.508 59.018 -0.017 0.000 1.426 574 C CB 1.934 29.650 27.740 -0.040 0.000 1.800 574 C HN 0.175 nan 8.230 nan 0.000 0.470 575 P HA 0.635 nan 4.420 nan 0.000 0.276 575 P C -0.103 177.047 177.300 -0.249 0.000 1.261 575 P CA 0.519 63.560 63.100 -0.099 0.000 0.800 575 P CB 1.412 33.064 31.700 -0.080 0.000 1.066 576 G N -0.576 108.105 108.800 -0.199 0.000 2.550 576 G HA2 0.522 4.484 3.960 0.003 0.000 0.293 576 G HA3 0.522 4.484 3.960 0.003 0.000 0.293 576 G C -2.023 172.945 174.900 0.113 0.000 1.402 576 G CA -0.644 44.358 45.100 -0.164 0.000 0.784 576 G HN 0.655 nan 8.290 nan 0.000 0.482 577 K N 0.114 120.607 120.400 0.156 0.000 2.482 577 K HA 0.631 4.953 4.320 0.003 0.000 0.251 577 K C -1.151 175.358 176.600 -0.152 0.000 0.936 577 K CA -0.755 55.541 56.287 0.015 0.000 0.791 577 K CB 1.702 34.142 32.500 -0.098 0.000 1.213 577 K HN 0.400 nan 8.250 nan 0.000 0.428 578 L N 4.522 125.617 121.223 -0.212 0.000 2.289 578 L HA 0.455 4.797 4.340 0.003 0.000 0.285 578 L C -0.803 175.896 176.870 -0.284 0.000 1.049 578 L CA -0.824 53.926 54.840 -0.149 0.000 0.804 578 L CB 0.669 42.686 42.059 -0.070 0.000 1.195 578 L HN 0.563 nan 8.230 nan 0.000 0.428 579 F N 4.077 123.902 119.950 -0.209 0.000 2.291 579 F HA 0.439 4.968 4.527 0.003 0.000 0.368 579 F C 0.331 176.125 175.800 -0.010 0.000 1.085 579 F CA -0.364 57.569 58.000 -0.111 0.000 1.165 579 F CB 0.486 39.415 39.000 -0.118 0.000 1.429 579 F HN 0.249 nan 8.300 nan 0.000 0.503 580 I N 3.335 123.974 120.570 0.115 0.000 2.365 580 I HA 0.233 4.404 4.170 0.003 0.000 0.291 580 I C -0.746 175.479 176.117 0.179 0.000 1.004 580 I CA -0.426 61.018 61.300 0.240 0.000 1.311 580 I CB 0.878 39.005 38.000 0.212 0.000 1.401 580 I HN 0.282 nan 8.210 nan 0.000 0.491 581 F N 5.018 125.272 119.950 0.508 0.000 2.325 581 F HA 0.357 4.886 4.527 0.003 0.000 0.369 581 F C 0.148 176.214 175.800 0.444 0.000 1.095 581 F CA -0.571 57.716 58.000 0.478 0.000 1.082 581 F CB 0.464 39.609 39.000 0.243 0.000 1.289 581 F HN 0.460 nan 8.300 nan 0.000 0.462 582 H N 0.265 119.642 119.070 0.511 0.000 2.670 582 H HA 0.486 5.044 4.556 0.003 0.000 0.361 582 H C 0.572 176.095 175.328 0.326 0.000 1.169 582 H CA -0.255 56.040 56.048 0.413 0.000 1.198 582 H CB 2.113 32.149 29.762 0.456 0.000 1.700 582 H HN 0.453 nan 8.280 nan 0.000 0.542 583 S N 0.811 116.382 115.700 -0.215 0.000 2.807 583 S HA 0.324 4.796 4.470 0.003 0.000 0.247 583 S C 0.000 174.567 174.600 -0.056 0.000 1.078 583 S CA 0.216 58.381 58.200 -0.058 0.000 0.867 583 S CB 0.329 63.460 63.200 -0.116 0.000 0.797 583 S HN 0.379 nan 8.310 nan 0.000 0.515 584 S N 0.191 115.789 115.700 -0.171 0.000 2.740 584 S HA 0.532 5.004 4.470 0.003 0.000 0.300 584 S C -1.101 173.535 174.600 0.060 0.000 1.147 584 S CA -0.811 57.374 58.200 -0.025 0.000 0.871 584 S CB 1.175 64.377 63.200 0.003 0.000 1.173 584 S HN 0.542 nan 8.310 nan 0.000 0.510 585 L N 4.416 125.660 121.223 0.034 0.000 2.615 585 L HA 0.174 4.516 4.340 0.003 0.000 0.271 585 L C -2.022 174.925 176.870 0.127 0.000 1.183 585 L CA -1.218 53.640 54.840 0.030 0.000 0.933 585 L CB 0.569 42.628 42.059 0.001 0.000 1.199 585 L HN 0.331 nan 8.230 nan 0.000 0.487 586 P HA 0.054 nan 4.420 nan 0.000 0.267 586 P C 0.264 177.662 177.300 0.163 0.000 1.328 586 P CA -0.222 63.022 63.100 0.240 0.000 0.990 586 P CB 0.516 32.381 31.700 0.275 0.000 1.168 587 T N -0.323 114.317 114.554 0.144 0.000 3.014 587 T HA 0.253 4.605 4.350 0.003 0.000 0.250 587 T C 1.031 175.793 174.700 0.103 0.000 1.060 587 T CA -0.042 62.125 62.100 0.113 0.000 1.040 587 T CB -0.070 68.857 68.868 0.097 0.000 0.971 587 T HN 0.365 nan 8.240 nan 0.000 0.497 588 A N 1.973 124.863 122.820 0.116 0.000 2.565 588 A HA 0.226 4.547 4.320 0.003 0.000 0.237 588 A C 0.236 177.870 177.584 0.084 0.000 1.053 588 A CA -0.233 51.863 52.037 0.099 0.000 0.755 588 A CB -0.242 18.826 19.000 0.114 0.000 0.980 588 A HN 0.601 nan 8.150 nan 0.000 0.506 589 E N 0.424 120.663 120.200 0.066 0.000 2.415 589 E HA 0.393 4.745 4.350 0.003 0.000 0.263 589 E C 0.256 176.883 176.600 0.046 0.000 0.995 589 E CA 1.116 57.547 56.400 0.052 0.000 0.915 589 E CB 0.410 30.136 29.700 0.043 0.000 0.951 589 E HN 1.076 nan 8.360 nan 0.000 0.449 590 A N 3.986 126.828 122.820 0.037 0.000 2.485 590 A HA 0.245 4.567 4.320 0.003 0.000 0.299 590 A C -2.781 174.805 177.584 0.004 0.000 0.947 590 A CA -1.301 50.748 52.037 0.020 0.000 0.595 590 A CB 0.214 19.228 19.000 0.023 0.000 1.397 590 A HN 0.438 nan 8.150 nan 0.000 0.462 591 P HA 0.377 nan 4.420 nan 0.000 0.265 591 P C 0.982 178.222 177.300 -0.101 0.000 1.193 591 P CA 1.873 64.934 63.100 -0.064 0.000 0.765 591 P CB 0.668 32.320 31.700 -0.080 0.000 0.823 592 G N 1.572 110.288 108.800 -0.141 0.000 2.157 592 G HA2 -0.258 3.704 3.960 0.003 0.000 0.248 592 G HA3 -0.258 3.704 3.960 0.003 0.000 0.248 592 G C 0.251 175.216 174.900 0.109 0.000 0.979 592 G CA 0.161 45.150 45.100 -0.184 0.000 0.650 592 G HN 0.785 nan 8.290 nan 0.000 0.529 593 K N 0.652 121.099 120.400 0.078 0.000 2.484 593 K HA 0.354 4.675 4.320 0.003 0.000 0.280 593 K C 0.197 176.875 176.600 0.131 0.000 1.013 593 K CA 0.026 56.377 56.287 0.107 0.000 1.029 593 K CB 0.000 32.544 32.500 0.074 0.000 0.902 593 K HN 0.303 nan 8.250 nan 0.000 0.481 594 L N 5.146 126.449 121.223 0.133 0.000 2.322 594 L HA 0.384 4.726 4.340 0.003 0.000 0.281 594 L C 0.210 177.146 176.870 0.110 0.000 1.014 594 L CA -0.870 54.042 54.840 0.119 0.000 0.815 594 L CB 1.765 43.871 42.059 0.078 0.000 1.247 594 L HN 0.670 nan 8.230 nan 0.000 0.421 595 K N 1.348 121.816 120.400 0.113 0.000 2.209 595 K HA 0.235 4.557 4.320 0.003 0.000 0.238 595 K C 0.079 176.780 176.600 0.168 0.000 1.028 595 K CA -0.799 55.554 56.287 0.109 0.000 0.935 595 K CB 0.700 33.245 32.500 0.075 0.000 1.162 595 K HN 0.384 nan 8.250 nan 0.000 0.485 596 N N 1.932 120.705 118.700 0.121 0.000 3.131 596 N HA 0.018 4.760 4.740 0.003 0.000 0.312 596 N C -0.265 175.189 175.510 -0.092 0.000 1.433 596 N CA -0.091 53.015 53.050 0.093 0.000 1.141 596 N CB 0.190 38.706 38.487 0.049 0.000 1.431 596 N HN 0.404 nan 8.380 nan 0.000 0.523 597 R N -0.684 119.794 120.500 -0.037 0.000 2.858 597 R HA 0.120 4.462 4.340 0.003 0.000 0.228 597 R C -0.217 175.967 176.300 -0.192 0.000 1.471 597 R CA -0.200 55.849 56.100 -0.084 0.000 1.342 597 R CB -0.297 29.999 30.300 -0.006 0.000 1.152 597 R HN -0.056 nan 8.270 nan 0.000 0.521 598 D N 1.479 121.633 120.400 -0.410 0.000 2.348 598 D HA 0.050 4.692 4.640 0.003 0.000 0.259 598 D C -0.869 175.296 176.300 -0.225 0.000 1.296 598 D CA 0.309 54.065 54.000 -0.407 0.000 0.931 598 D CB 0.444 40.860 40.800 -0.640 0.000 1.067 598 D HN 0.290 nan 8.370 nan 0.000 0.503 599 D N 1.889 122.198 120.400 -0.152 0.000 2.299 599 D HA 0.114 4.756 4.640 0.003 0.000 0.243 599 D C -0.092 176.161 176.300 -0.078 0.000 0.982 599 D CA -0.672 53.268 54.000 -0.099 0.000 0.924 599 D CB 1.536 42.294 40.800 -0.070 0.000 1.238 599 D HN 0.090 nan 8.370 nan 0.000 0.484 600 K N 1.656 122.022 120.400 -0.056 0.000 2.502 600 K HA 0.112 4.434 4.320 0.003 0.000 0.244 600 K C -0.701 175.885 176.600 -0.024 0.000 1.249 600 K CA 0.023 56.287 56.287 -0.038 0.000 1.193 600 K CB -0.487 31.994 32.500 -0.031 0.000 1.674 600 K HN 0.087 nan 8.250 nan 0.000 0.302 601 K N 3.927 124.314 120.400 -0.022 0.000 2.606 601 K HA 0.232 4.554 4.320 0.003 0.000 0.196 601 K C -0.555 176.050 176.600 0.007 0.000 1.048 601 K CA -0.334 55.949 56.287 -0.006 0.000 1.017 601 K CB 0.392 32.888 32.500 -0.008 0.000 1.413 601 K HN 0.446 nan 8.250 nan 0.000 0.568 602 L N -1.449 119.781 121.223 0.013 0.000 3.263 602 L HA 0.335 4.677 4.340 0.003 0.000 0.349 602 L C -0.416 176.474 176.870 0.032 0.000 1.313 602 L CA -0.644 54.216 54.840 0.032 0.000 0.830 602 L CB 0.292 42.372 42.059 0.034 0.000 1.271 602 L HN 0.095 nan 8.230 nan 0.000 0.596 603 V N -0.691 119.238 119.914 0.024 0.000 3.161 603 V HA 0.328 4.449 4.120 0.003 0.000 0.228 603 V C 0.772 176.877 176.094 0.019 0.000 1.415 603 V CA 0.448 62.760 62.300 0.021 0.000 1.285 603 V CB 0.896 32.728 31.823 0.014 0.000 1.100 603 V HN 0.601 nan 8.190 nan 0.000 0.478 604 N N -0.992 117.719 118.700 0.018 0.000 2.261 604 N HA 0.055 4.796 4.740 0.003 0.000 0.241 604 N C 1.009 176.530 175.510 0.018 0.000 1.374 604 N CA 0.680 53.740 53.050 0.018 0.000 0.802 604 N CB 1.127 39.623 38.487 0.014 0.000 1.339 604 N HN 0.238 nan 8.380 nan 0.000 0.498 605 T N 0.274 114.840 114.554 0.020 0.000 2.720 605 T HA -0.163 4.188 4.350 0.003 0.000 0.268 605 T C 0.864 175.577 174.700 0.022 0.000 1.037 605 T CA 1.329 63.441 62.100 0.019 0.000 1.144 605 T CB 0.070 68.950 68.868 0.020 0.000 0.864 605 T HN 0.320 nan 8.240 nan 0.000 0.444 606 D N -0.331 120.085 120.400 0.027 0.000 2.946 606 D HA -0.162 4.480 4.640 0.003 0.000 0.202 606 D C 0.888 177.207 176.300 0.032 0.000 1.068 606 D CA 1.303 55.320 54.000 0.029 0.000 1.011 606 D CB -0.733 40.082 40.800 0.025 0.000 1.105 606 D HN 0.471 nan 8.370 nan 0.000 0.425 607 K N 0.669 121.087 120.400 0.031 0.000 2.447 607 K HA 0.091 4.413 4.320 0.003 0.000 0.205 607 K C 1.494 178.117 176.600 0.037 0.000 1.059 607 K CA 0.140 56.445 56.287 0.030 0.000 1.065 607 K CB 0.452 32.964 32.500 0.021 0.000 0.885 607 K HN 0.134 nan 8.250 nan 0.000 0.545 608 E N 2.020 122.251 120.200 0.051 0.000 2.204 608 E HA -0.221 4.131 4.350 0.003 0.000 0.195 608 E C 1.499 178.182 176.600 0.139 0.000 0.990 608 E CA 1.313 57.762 56.400 0.081 0.000 0.821 608 E CB 0.147 29.904 29.700 0.096 0.000 0.750 608 E HN 0.303 nan 8.360 nan 0.000 0.477 609 K N 0.656 121.121 120.400 0.109 0.000 2.152 609 K HA -0.182 4.140 4.320 0.003 0.000 0.206 609 K C 2.036 178.704 176.600 0.113 0.000 1.048 609 K CA 1.760 58.118 56.287 0.118 0.000 0.933 609 K CB -0.547 31.969 32.500 0.027 0.000 0.721 609 K HN 0.250 nan 8.250 nan 0.000 0.447 610 I N 1.612 122.217 120.570 0.059 0.000 2.423 610 I HA -0.253 3.918 4.170 0.003 0.000 0.254 610 I C 2.317 178.437 176.117 0.005 0.000 1.151 610 I CA 1.046 62.364 61.300 0.029 0.000 1.421 610 I CB -0.324 37.685 38.000 0.015 0.000 1.079 610 I HN 0.152 nan 8.210 nan 0.000 0.431 611 L N -0.555 120.654 121.223 -0.024 0.000 2.141 611 L HA -0.155 4.187 4.340 0.003 0.000 0.209 611 L C 1.699 178.401 176.870 -0.280 0.000 1.094 611 L CA 1.306 56.039 54.840 -0.179 0.000 0.763 611 L CB -0.331 41.541 42.059 -0.311 0.000 0.908 611 L HN 0.158 nan 8.230 nan 0.000 0.437 612 F N -0.508 119.418 119.950 -0.041 0.000 2.692 612 F HA 0.126 4.655 4.527 0.003 0.000 0.303 612 F C 0.859 176.620 175.800 -0.064 0.000 1.114 612 F CA -0.046 57.920 58.000 -0.058 0.000 1.361 612 F CB 0.003 38.954 39.000 -0.081 0.000 1.063 612 F HN 0.105 nan 8.300 nan 0.000 0.550 613 Q N 1.303 121.138 119.800 0.059 0.000 2.345 613 Q HA 0.338 4.680 4.340 0.003 0.000 0.268 613 Q C -2.462 173.540 176.000 0.003 0.000 1.054 613 Q CA -2.470 53.348 55.803 0.025 0.000 0.835 613 Q CB 1.753 30.499 28.738 0.014 0.000 1.339 613 Q HN -0.130 nan 8.270 nan 0.000 0.447 614 P HA -0.091 nan 4.420 nan 0.000 0.268 614 P C -0.305 177.031 177.300 0.060 0.000 1.208 614 P CA 0.346 63.446 63.100 0.000 0.000 0.777 614 P CB 1.039 32.763 31.700 0.039 0.000 0.875 615 Q N 0.489 120.338 119.800 0.082 0.000 1.965 615 Q HA -0.038 4.304 4.340 0.003 0.000 0.200 615 Q C 0.662 176.733 176.000 0.117 0.000 0.981 615 Q CA 1.364 57.225 55.803 0.095 0.000 0.834 615 Q CB -0.673 28.127 28.738 0.104 0.000 0.900 615 Q HN 0.557 nan 8.270 nan 0.000 0.426 616 T N 1.081 115.742 114.554 0.178 0.000 2.816 616 T HA 0.033 4.384 4.350 0.003 0.000 0.282 616 T C 0.791 175.562 174.700 0.118 0.000 0.993 616 T CA -0.524 61.647 62.100 0.118 0.000 0.994 616 T CB 0.597 69.503 68.868 0.064 0.000 1.025 616 T HN 0.193 nan 8.240 nan 0.000 0.529 617 N N 0.571 119.304 118.700 0.056 0.000 2.336 617 N HA -0.046 4.695 4.740 0.003 0.000 0.189 617 N C 1.837 177.360 175.510 0.021 0.000 1.113 617 N CA 0.346 53.425 53.050 0.049 0.000 0.858 617 N CB -0.035 38.470 38.487 0.030 0.000 0.970 617 N HN 0.504 nan 8.380 nan 0.000 0.471 618 V N -0.974 118.914 119.914 -0.044 0.000 2.307 618 V HA -0.163 3.958 4.120 0.003 0.000 0.245 618 V C 1.776 177.795 176.094 -0.125 0.000 1.045 618 V CA 1.133 63.352 62.300 -0.135 0.000 1.024 618 V CB -1.486 30.173 31.823 -0.274 0.000 0.651 618 V HN 0.073 nan 8.190 nan 0.000 0.449 619 Y N 1.205 121.524 120.300 0.032 0.000 2.151 619 Y HA -0.216 4.335 4.550 0.003 0.000 0.284 619 Y C 2.782 178.698 175.900 0.027 0.000 1.166 619 Y CA 2.169 60.291 58.100 0.038 0.000 1.163 619 Y CB -0.515 37.971 38.460 0.043 0.000 0.974 619 Y HN 0.290 nan 8.280 nan 0.000 0.511 620 D N -0.640 119.858 120.400 0.164 0.000 2.117 620 D HA -0.135 4.506 4.640 0.003 0.000 0.198 620 D C 2.176 178.512 176.300 0.060 0.000 0.982 620 D CA 1.462 55.520 54.000 0.097 0.000 0.828 620 D CB 0.020 40.864 40.800 0.074 0.000 0.967 620 D HN 0.275 nan 8.370 nan 0.000 0.464 621 S N 0.736 116.459 115.700 0.039 0.000 2.355 621 S HA -0.143 4.329 4.470 0.003 0.000 0.222 621 S C 1.874 176.486 174.600 0.021 0.000 1.031 621 S CA 0.320 58.531 58.200 0.018 0.000 0.993 621 S CB -0.242 62.958 63.200 0.001 0.000 0.859 621 S HN 0.172 nan 8.310 nan 0.000 0.453 622 L N 2.158 123.392 121.223 0.018 0.000 2.042 622 L HA -0.075 4.267 4.340 0.003 0.000 0.210 622 L C 2.345 179.241 176.870 0.044 0.000 1.076 622 L CA 1.921 56.775 54.840 0.022 0.000 0.749 622 L CB -1.197 40.868 42.059 0.009 0.000 0.893 622 L HN 0.260 nan 8.230 nan 0.000 0.432 623 A N -0.869 121.987 122.820 0.060 0.000 1.902 623 A HA -0.237 4.085 4.320 0.003 0.000 0.217 623 A C 2.370 179.970 177.584 0.026 0.000 1.181 623 A CA 1.938 54.005 52.037 0.049 0.000 0.623 623 A CB -0.498 18.535 19.000 0.056 0.000 0.818 623 A HN 0.495 nan 8.150 nan 0.000 0.443 624 K N -0.480 119.931 120.400 0.019 0.000 2.026 624 K HA -0.147 4.174 4.320 0.003 0.000 0.208 624 K C 1.574 178.166 176.600 -0.013 0.000 1.048 624 K CA 1.470 57.756 56.287 -0.003 0.000 0.929 624 K CB -0.291 32.206 32.500 -0.005 0.000 0.713 624 K HN 0.434 nan 8.250 nan 0.000 0.439 625 D N 0.718 121.128 120.400 0.016 0.000 2.123 625 D HA -0.158 4.483 4.640 0.003 0.000 0.196 625 D C 2.074 178.429 176.300 0.092 0.000 0.992 625 D CA 0.954 54.986 54.000 0.054 0.000 0.833 625 D CB -0.494 40.367 40.800 0.102 0.000 0.954 625 D HN 0.206 nan 8.370 nan 0.000 0.455 626 C N 0.422 119.767 119.300 0.075 0.000 2.442 626 C HA -0.101 4.360 4.460 0.003 0.000 0.279 626 C C 3.001 178.023 174.990 0.053 0.000 1.237 626 C CA 0.295 59.362 59.018 0.082 0.000 1.722 626 C CB -0.905 26.865 27.740 0.050 0.000 2.056 626 C HN 0.172 nan 8.230 nan 0.000 0.469 627 V N 1.613 121.535 119.914 0.013 0.000 2.332 627 V HA -0.252 3.870 4.120 0.003 0.000 0.248 627 V C 2.709 178.775 176.094 -0.047 0.000 1.055 627 V CA 2.227 64.524 62.300 -0.006 0.000 1.038 627 V CB -1.372 30.439 31.823 -0.019 0.000 0.651 627 V HN 0.626 nan 8.190 nan 0.000 0.450 628 A N -1.103 121.643 122.820 -0.123 0.000 1.978 628 A HA -0.233 4.089 4.320 0.003 0.000 0.220 628 A C 1.833 179.174 177.584 -0.406 0.000 1.170 628 A CA 1.839 53.701 52.037 -0.291 0.000 0.636 628 A CB -0.553 18.191 19.000 -0.427 0.000 0.810 628 A HN 0.731 nan 8.150 nan 0.000 0.448 629 H N -1.729 117.356 119.070 0.025 0.000 2.528 629 H HA 0.317 4.875 4.556 0.003 0.000 0.282 629 H C 1.323 176.674 175.328 0.039 0.000 1.097 629 H CA 0.220 56.285 56.048 0.028 0.000 1.121 629 H CB -0.173 29.603 29.762 0.024 0.000 1.590 629 H HN 0.586 nan 8.280 nan 0.000 0.553 630 G N 1.772 110.638 108.800 0.110 0.000 2.273 630 G HA2 -0.287 3.675 3.960 0.003 0.000 0.280 630 G HA3 -0.287 3.675 3.960 0.003 0.000 0.280 630 G C 0.267 175.255 174.900 0.147 0.000 1.047 630 G CA 0.476 45.653 45.100 0.127 0.000 0.869 630 G HN 0.538 nan 8.290 nan 0.000 0.502 631 C N 0.796 120.171 119.300 0.125 0.000 2.281 631 C HA 0.840 5.302 4.460 0.003 0.000 0.325 631 C C 0.716 175.756 174.990 0.083 0.000 1.282 631 C CA 0.106 59.188 59.018 0.107 0.000 1.640 631 C CB 1.008 28.803 27.740 0.091 0.000 2.288 631 C HN 0.789 nan 8.230 nan 0.000 0.507 632 S N 3.727 119.482 115.700 0.092 0.000 2.472 632 S HA 0.706 5.178 4.470 0.003 0.000 0.303 632 S C -0.841 173.720 174.600 -0.064 0.000 1.099 632 S CA -0.486 57.722 58.200 0.014 0.000 1.077 632 S CB 1.523 64.726 63.200 0.005 0.000 1.031 632 S HN 1.328 nan 8.310 nan 0.000 0.487 633 V N 5.015 124.875 119.914 -0.091 0.000 2.444 633 V HA 0.711 4.833 4.120 0.003 0.000 0.294 633 V C -0.618 175.381 176.094 -0.159 0.000 1.022 633 V CA -0.048 62.177 62.300 -0.125 0.000 0.850 633 V CB 1.600 33.382 31.823 -0.068 0.000 0.992 633 V HN 0.904 nan 8.190 nan 0.000 0.426 634 T N 8.142 122.549 114.554 -0.245 0.000 2.797 634 T HA 0.588 4.939 4.350 0.003 0.000 0.279 634 T C -0.786 173.834 174.700 -0.133 0.000 0.991 634 T CA -0.174 61.780 62.100 -0.244 0.000 0.979 634 T CB 1.194 69.831 68.868 -0.385 0.000 0.943 634 T HN 0.706 nan 8.240 nan 0.000 0.444 635 L N 4.264 125.425 121.223 -0.103 0.000 2.305 635 L HA 0.630 4.972 4.340 0.003 0.000 0.284 635 L C -1.544 175.294 176.870 -0.053 0.000 1.013 635 L CA -0.561 54.288 54.840 0.014 0.000 0.819 635 L CB 0.379 42.487 42.059 0.083 0.000 1.227 635 L HN 0.548 nan 8.230 nan 0.000 0.417 636 F N 6.298 126.305 119.950 0.095 0.000 2.334 636 F HA 0.441 4.970 4.527 0.003 0.000 0.367 636 F C -0.285 175.601 175.800 0.142 0.000 1.115 636 F CA -0.467 57.636 58.000 0.172 0.000 1.116 636 F CB 1.288 40.426 39.000 0.230 0.000 1.230 636 F HN 0.295 nan 8.300 nan 0.000 0.484 637 L N 4.715 125.968 121.223 0.050 0.000 2.307 637 L HA 0.512 4.853 4.340 0.003 0.000 0.284 637 L C -1.116 175.652 176.870 -0.170 0.000 1.023 637 L CA -0.554 54.312 54.840 0.042 0.000 0.810 637 L CB 0.624 42.653 42.059 -0.050 0.000 1.231 637 L HN 0.370 nan 8.230 nan 0.000 0.423 638 F N 5.793 125.804 119.950 0.102 0.000 2.627 638 F HA 0.401 4.929 4.527 0.003 0.000 0.329 638 F C -2.000 173.827 175.800 0.045 0.000 1.378 638 F CA -1.846 56.200 58.000 0.077 0.000 1.134 638 F CB -0.092 38.855 39.000 -0.090 0.000 1.229 638 F HN 0.361 nan 8.300 nan 0.000 0.537 639 P HA 0.104 nan 4.420 nan 0.000 0.273 639 P C 0.405 177.768 177.300 0.104 0.000 1.250 639 P CA 0.075 63.219 63.100 0.074 0.000 0.793 639 P CB 2.023 33.715 31.700 -0.013 0.000 1.011 640 S N -1.949 113.800 115.700 0.081 0.000 2.800 640 S HA 0.097 4.569 4.470 0.003 0.000 0.266 640 S C -0.104 174.542 174.600 0.077 0.000 1.029 640 S CA -0.156 58.098 58.200 0.091 0.000 1.302 640 S CB 0.040 63.299 63.200 0.099 0.000 1.212 640 S HN 0.666 nan 8.310 nan 0.000 0.683 641 Q N -0.350 119.492 119.800 0.069 0.000 2.738 641 Q HA 0.280 4.621 4.340 0.003 0.000 0.301 641 Q C -1.554 174.506 176.000 0.100 0.000 0.901 641 Q CA -0.767 55.089 55.803 0.089 0.000 0.756 641 Q CB 0.710 29.503 28.738 0.092 0.000 1.463 641 Q HN 0.235 nan 8.270 nan 0.000 0.432 642 Y N 0.783 121.081 120.300 -0.002 0.000 2.993 642 Y HA -0.009 4.543 4.550 0.003 0.000 0.340 642 Y C -0.084 175.803 175.900 -0.022 0.000 1.273 642 Y CA 1.496 59.583 58.100 -0.021 0.000 1.545 642 Y CB 0.512 38.957 38.460 -0.025 0.000 1.275 642 Y HN 0.344 nan 8.280 nan 0.000 0.617 643 V N 3.467 122.920 119.914 -0.768 0.000 3.392 643 V HA 0.060 4.181 4.120 0.003 0.000 0.285 643 V C -0.353 175.225 176.094 -0.860 0.000 1.582 643 V CA 0.601 62.521 62.300 -0.633 0.000 1.034 643 V CB -0.194 31.444 31.823 -0.308 0.000 0.846 643 V HN 0.930 nan 8.190 nan 0.000 0.431 644 D N 0.469 120.048 120.400 -1.369 0.000 3.187 644 D HA -0.150 4.492 4.640 0.003 0.000 0.244 644 D C 0.827 176.875 176.300 -0.420 0.000 1.114 644 D CA 0.754 54.303 54.000 -0.753 0.000 0.920 644 D CB -0.818 39.686 40.800 -0.493 0.000 0.970 644 D HN 0.148 nan 8.370 nan 0.000 0.418 645 V N 1.737 121.461 119.914 -0.316 0.000 2.490 645 V HA -0.217 3.905 4.120 0.003 0.000 0.250 645 V C 2.747 178.733 176.094 -0.179 0.000 1.061 645 V CA 2.230 64.395 62.300 -0.225 0.000 1.064 645 V CB -0.629 31.118 31.823 -0.127 0.000 0.670 645 V HN 0.668 nan 8.190 nan 0.000 0.461 646 A N -0.816 121.915 122.820 -0.148 0.000 2.024 646 A HA -0.216 4.105 4.320 0.003 0.000 0.220 646 A C 2.481 179.966 177.584 -0.165 0.000 1.164 646 A CA 2.398 54.376 52.037 -0.099 0.000 0.643 646 A CB -0.425 18.526 19.000 -0.082 0.000 0.806 646 A HN 0.506 nan 8.150 nan 0.000 0.451 647 S N -0.854 114.684 115.700 -0.269 0.000 2.398 647 S HA 0.159 4.631 4.470 0.003 0.000 0.220 647 S C 1.694 175.899 174.600 -0.659 0.000 1.046 647 S CA 0.578 58.499 58.200 -0.465 0.000 0.953 647 S CB -0.265 62.660 63.200 -0.458 0.000 0.856 647 S HN 0.495 nan 8.310 nan 0.000 0.506 648 L N 1.011 121.888 121.223 -0.577 0.000 2.362 648 L HA 0.000 4.342 4.340 0.003 0.000 0.219 648 L C 2.220 178.892 176.870 -0.331 0.000 1.134 648 L CA 1.090 55.550 54.840 -0.633 0.000 0.807 648 L CB -0.609 41.035 42.059 -0.693 0.000 0.927 648 L HN 0.405 nan 8.230 nan 0.000 0.447 649 G N -0.910 107.750 108.800 -0.232 0.000 2.887 649 G HA2 -0.045 3.916 3.960 0.003 0.000 0.211 649 G HA3 -0.045 3.916 3.960 0.003 0.000 0.211 649 G C 1.406 176.260 174.900 -0.077 0.000 1.152 649 G CA -0.223 44.809 45.100 -0.115 0.000 0.769 649 G HN 0.108 nan 8.290 nan 0.000 0.541 650 L N 1.035 122.196 121.223 -0.102 0.000 1.955 650 L HA -0.085 4.257 4.340 0.003 0.000 0.213 650 L C 2.900 179.775 176.870 0.008 0.000 1.072 650 L CA 1.778 56.593 54.840 -0.041 0.000 0.755 650 L CB -0.656 41.380 42.059 -0.038 0.000 0.888 650 L HN 0.062 nan 8.230 nan 0.000 0.432 651 V N 1.039 120.986 119.914 0.054 0.000 2.282 651 V HA -0.219 3.903 4.120 0.003 0.000 0.249 651 V C -0.349 175.763 176.094 0.029 0.000 1.057 651 V CA 2.444 64.792 62.300 0.079 0.000 1.032 651 V CB -2.153 29.761 31.823 0.152 0.000 0.645 651 V HN 0.474 nan 8.190 nan 0.000 0.447 652 P HA -0.183 nan 4.420 nan 0.000 0.221 652 P C 1.634 178.902 177.300 -0.053 0.000 1.150 652 P CA 1.435 64.517 63.100 -0.030 0.000 0.800 652 P CB 0.039 31.718 31.700 -0.035 0.000 0.787 653 Q N 0.082 119.858 119.800 -0.041 0.000 2.020 653 Q HA -0.059 4.283 4.340 0.003 0.000 0.198 653 Q C 2.384 178.364 176.000 -0.033 0.000 0.974 653 Q CA 1.161 56.937 55.803 -0.044 0.000 0.829 653 Q CB -0.451 28.268 28.738 -0.031 0.000 0.894 653 Q HN 0.233 nan 8.270 nan 0.000 0.433 654 L N -0.083 121.130 121.223 -0.015 0.000 2.201 654 L HA -0.122 4.220 4.340 0.003 0.000 0.212 654 L C 2.376 179.235 176.870 -0.019 0.000 1.105 654 L CA 1.244 56.078 54.840 -0.010 0.000 0.775 654 L CB -0.363 41.700 42.059 0.007 0.000 0.913 654 L HN 0.234 nan 8.230 nan 0.000 0.440 655 T N -0.920 113.620 114.554 -0.023 0.000 3.148 655 T HA 0.115 4.467 4.350 0.003 0.000 0.253 655 T C 1.316 175.983 174.700 -0.056 0.000 1.134 655 T CA 0.793 62.877 62.100 -0.027 0.000 1.051 655 T CB -0.179 68.676 68.868 -0.021 0.000 0.959 655 T HN 0.638 nan 8.240 nan 0.000 0.525 656 G N 0.151 108.909 108.800 -0.070 0.000 2.148 656 G HA2 -0.151 3.810 3.960 0.003 0.000 0.254 656 G HA3 -0.151 3.810 3.960 0.003 0.000 0.254 656 G C 0.474 175.290 174.900 -0.140 0.000 0.981 656 G CA 0.119 45.159 45.100 -0.100 0.000 0.670 656 G HN 0.894 nan 8.290 nan 0.000 0.528 657 G N -1.286 107.431 108.800 -0.138 0.000 2.509 657 G HA2 0.682 4.644 3.960 0.003 0.000 0.269 657 G HA3 0.682 4.644 3.960 0.003 0.000 0.269 657 G C -0.110 174.673 174.900 -0.194 0.000 1.416 657 G CA 0.520 45.511 45.100 -0.182 0.000 1.052 657 G HN 0.736 nan 8.290 nan 0.000 0.542 658 T N -0.242 114.172 114.554 -0.234 0.000 2.893 658 T HA 0.468 4.820 4.350 0.003 0.000 0.291 658 T C -1.209 173.277 174.700 -0.357 0.000 1.028 658 T CA -0.337 61.569 62.100 -0.324 0.000 0.995 658 T CB 1.885 70.485 68.868 -0.446 0.000 1.051 658 T HN 0.427 nan 8.240 nan 0.000 0.470 659 L N 3.126 124.130 121.223 -0.365 0.000 2.298 659 L HA 0.584 4.926 4.340 0.003 0.000 0.284 659 L C -1.860 174.836 176.870 -0.290 0.000 1.013 659 L CA -0.735 53.965 54.840 -0.234 0.000 0.824 659 L CB 0.313 42.343 42.059 -0.048 0.000 1.221 659 L HN 0.634 nan 8.230 nan 0.000 0.418 660 Y N 4.502 124.659 120.300 -0.237 0.000 2.356 660 Y HA 0.484 5.036 4.550 0.003 0.000 0.334 660 Y C 0.048 175.600 175.900 -0.580 0.000 0.958 660 Y CA -0.453 57.453 58.100 -0.323 0.000 1.196 660 Y CB 1.389 39.622 38.460 -0.379 0.000 1.137 660 Y HN 0.484 nan 8.280 nan 0.000 0.485 661 K N 3.621 123.641 120.400 -0.633 0.000 2.307 661 K HA 0.437 4.758 4.320 0.003 0.000 0.263 661 K C -1.817 174.330 176.600 -0.755 0.000 0.973 661 K CA -0.770 55.067 56.287 -0.751 0.000 0.846 661 K CB 0.725 32.602 32.500 -1.037 0.000 1.100 661 K HN 0.594 nan 8.250 nan 0.000 0.438 662 Y N 2.996 123.149 120.300 -0.245 0.000 2.712 662 Y HA 0.248 4.800 4.550 0.003 0.000 0.328 662 Y C 0.023 175.944 175.900 0.035 0.000 0.995 662 Y CA -1.164 56.904 58.100 -0.054 0.000 1.283 662 Y CB 0.565 39.012 38.460 -0.022 0.000 1.092 662 Y HN 0.462 nan 8.280 nan 0.000 0.519 663 N N 3.985 122.751 118.700 0.109 0.000 2.454 663 N HA -0.078 4.664 4.740 0.003 0.000 0.260 663 N C 0.241 175.851 175.510 0.167 0.000 1.218 663 N CA 0.479 53.593 53.050 0.107 0.000 0.904 663 N CB 0.253 38.778 38.487 0.063 0.000 1.065 663 N HN 0.682 nan 8.380 nan 0.000 0.462 664 N N 1.298 120.096 118.700 0.163 0.000 2.714 664 N HA -0.267 4.475 4.740 0.003 0.000 0.252 664 N C -0.449 175.172 175.510 0.185 0.000 1.014 664 N CA 0.464 53.607 53.050 0.156 0.000 0.735 664 N CB -1.173 37.375 38.487 0.101 0.000 0.924 664 N HN 0.478 nan 8.380 nan 0.000 0.540 665 F N 1.325 121.364 119.950 0.148 0.000 2.604 665 F HA -0.108 4.420 4.527 0.003 0.000 0.390 665 F C 0.833 176.687 175.800 0.089 0.000 1.053 665 F CA 0.895 58.990 58.000 0.159 0.000 1.256 665 F CB 0.420 39.584 39.000 0.273 0.000 0.996 665 F HN 0.132 nan 8.300 nan 0.000 0.564 666 Q N 6.509 125.815 119.800 -0.823 0.000 2.275 666 Q HA 0.166 4.508 4.340 0.003 0.000 0.266 666 Q C 0.527 176.050 176.000 -0.794 0.000 1.002 666 Q CA -0.833 54.655 55.803 -0.526 0.000 0.761 666 Q CB 2.044 30.660 28.738 -0.203 0.000 1.255 666 Q HN 0.861 nan 8.270 nan 0.000 0.446 667 M N 2.716 122.053 119.600 -0.438 0.000 2.088 667 M HA -0.235 4.246 4.480 0.003 0.000 0.256 667 M C 1.862 178.103 176.300 -0.099 0.000 1.071 667 M CA 2.216 57.408 55.300 -0.179 0.000 1.097 667 M CB -0.295 32.347 32.600 0.069 0.000 1.315 667 M HN 0.792 nan 8.290 nan 0.000 0.406 668 H N -1.088 117.901 119.070 -0.134 0.000 2.567 668 H HA 0.013 4.570 4.556 0.003 0.000 0.276 668 H C 1.316 176.592 175.328 -0.087 0.000 1.016 668 H CA 1.302 57.300 56.048 -0.083 0.000 1.186 668 H CB -0.519 29.205 29.762 -0.063 0.000 1.351 668 H HN 0.511 nan 8.280 nan 0.000 0.605 669 L N -0.407 120.490 121.223 -0.543 0.000 2.664 669 L HA 0.107 4.448 4.340 0.003 0.000 0.198 669 L C 1.137 177.866 176.870 -0.235 0.000 1.057 669 L CA 0.283 54.865 54.840 -0.429 0.000 0.871 669 L CB 0.277 42.007 42.059 -0.549 0.000 1.364 669 L HN -0.017 nan 8.230 nan 0.000 0.483 670 D N 0.353 120.562 120.400 -0.318 0.000 2.339 670 D HA 0.006 4.647 4.640 0.003 0.000 0.217 670 D C 1.788 178.191 176.300 0.171 0.000 1.050 670 D CA 0.057 54.001 54.000 -0.093 0.000 0.856 670 D CB 0.343 41.065 40.800 -0.130 0.000 0.922 670 D HN 0.157 nan 8.370 nan 0.000 0.518 671 R N 1.091 121.659 120.500 0.114 0.000 2.115 671 R HA -0.259 4.083 4.340 0.003 0.000 0.239 671 R C 2.010 178.448 176.300 0.230 0.000 1.133 671 R CA 1.712 57.984 56.100 0.287 0.000 0.935 671 R CB 0.043 30.437 30.300 0.156 0.000 0.853 671 R HN -0.050 nan 8.270 nan 0.000 0.433 672 Q N 0.525 120.401 119.800 0.126 0.000 2.124 672 Q HA -0.201 4.141 4.340 0.003 0.000 0.202 672 Q C 2.006 178.080 176.000 0.123 0.000 0.977 672 Q CA 2.008 57.866 55.803 0.091 0.000 0.850 672 Q CB -0.183 28.587 28.738 0.054 0.000 0.901 672 Q HN 0.480 nan 8.270 nan 0.000 0.429 673 Q N -1.253 118.655 119.800 0.180 0.000 2.061 673 Q HA -0.197 4.145 4.340 0.003 0.000 0.204 673 Q C 1.875 178.067 176.000 0.321 0.000 0.984 673 Q CA 1.729 57.687 55.803 0.258 0.000 0.846 673 Q CB -0.300 28.636 28.738 0.330 0.000 0.902 673 Q HN 0.491 nan 8.270 nan 0.000 0.421 674 F N 0.876 120.877 119.950 0.084 0.000 2.084 674 F HA -0.118 4.411 4.527 0.003 0.000 0.296 674 F C 1.745 177.573 175.800 0.045 0.000 1.111 674 F CA 1.247 59.197 58.000 -0.083 0.000 1.224 674 F CB -0.428 38.374 39.000 -0.330 0.000 0.991 674 F HN 0.044 nan 8.300 nan 0.000 0.471 675 L N 0.371 121.398 121.223 -0.327 0.000 2.191 675 L HA -0.225 4.116 4.340 0.003 0.000 0.212 675 L C 2.013 178.736 176.870 -0.246 0.000 1.103 675 L CA 1.002 55.582 54.840 -0.433 0.000 0.769 675 L CB -0.888 41.064 42.059 -0.178 0.000 0.908 675 L HN 0.219 nan 8.230 nan 0.000 0.438 676 N N -0.166 118.480 118.700 -0.089 0.000 2.207 676 N HA -0.139 4.602 4.740 0.003 0.000 0.182 676 N C 1.493 176.999 175.510 -0.007 0.000 1.020 676 N CA 1.045 54.085 53.050 -0.017 0.000 0.858 676 N CB -0.172 38.347 38.487 0.054 0.000 0.991 676 N HN 0.231 nan 8.380 nan 0.000 0.427 677 D N 0.525 120.943 120.400 0.030 0.000 2.117 677 D HA -0.106 4.536 4.640 0.003 0.000 0.198 677 D C 2.023 178.290 176.300 -0.056 0.000 0.982 677 D CA 0.441 54.459 54.000 0.030 0.000 0.828 677 D CB -0.260 40.613 40.800 0.122 0.000 0.967 677 D HN 0.099 nan 8.370 nan 0.000 0.464 678 L N 1.256 122.378 121.223 -0.168 0.000 1.994 678 L HA -0.146 4.196 4.340 0.003 0.000 0.208 678 L C 2.327 179.153 176.870 -0.073 0.000 1.071 678 L CA 1.685 56.400 54.840 -0.209 0.000 0.745 678 L CB -0.340 41.316 42.059 -0.671 0.000 0.892 678 L HN -0.152 nan 8.230 nan 0.000 0.431 679 R N -0.507 119.921 120.500 -0.119 0.000 2.097 679 R HA -0.243 4.099 4.340 0.003 0.000 0.236 679 R C 2.229 178.541 176.300 0.020 0.000 1.135 679 R CA 1.942 58.010 56.100 -0.053 0.000 0.934 679 R CB -0.797 29.468 30.300 -0.059 0.000 0.846 679 R HN 0.460 nan 8.270 nan 0.000 0.431 680 N N 0.533 119.246 118.700 0.023 0.000 2.060 680 N HA -0.230 4.512 4.740 0.003 0.000 0.195 680 N C 1.542 177.106 175.510 0.091 0.000 1.028 680 N CA 1.902 54.983 53.050 0.052 0.000 0.861 680 N CB -0.247 38.269 38.487 0.048 0.000 1.029 680 N HN 0.219 nan 8.380 nan 0.000 0.428 681 D N -0.359 120.120 120.400 0.132 0.000 2.144 681 D HA -0.089 4.553 4.640 0.003 0.000 0.200 681 D C 1.881 178.342 176.300 0.269 0.000 0.978 681 D CA 0.744 54.869 54.000 0.208 0.000 0.833 681 D CB 0.067 41.057 40.800 0.318 0.000 0.961 681 D HN 0.390 nan 8.370 nan 0.000 0.470 682 I N 0.777 121.511 120.570 0.274 0.000 2.546 682 I HA -0.157 4.015 4.170 0.003 0.000 0.255 682 I C 1.778 178.065 176.117 0.283 0.000 1.163 682 I CA 0.826 62.308 61.300 0.303 0.000 1.457 682 I CB -0.068 38.031 38.000 0.166 0.000 1.092 682 I HN -0.044 nan 8.210 nan 0.000 0.434 683 E N 0.634 120.942 120.200 0.180 0.000 2.478 683 E HA 0.037 4.389 4.350 0.003 0.000 0.194 683 E C 0.327 177.008 176.600 0.135 0.000 1.045 683 E CA -0.069 56.419 56.400 0.148 0.000 0.868 683 E CB 0.189 29.945 29.700 0.093 0.000 0.885 683 E HN 0.372 nan 8.360 nan 0.000 0.505 684 K N 2.211 122.688 120.400 0.129 0.000 2.524 684 K HA -0.001 4.320 4.320 0.003 0.000 0.279 684 K C 0.084 176.732 176.600 0.080 0.000 0.993 684 K CA 0.333 56.667 56.287 0.079 0.000 1.030 684 K CB 0.436 32.959 32.500 0.038 0.000 0.891 684 K HN -0.168 nan 8.250 nan 0.000 0.488 685 K N 4.261 124.692 120.400 0.052 0.000 2.379 685 K HA 0.189 4.511 4.320 0.003 0.000 0.284 685 K C 0.335 176.904 176.600 -0.053 0.000 1.044 685 K CA 0.116 56.433 56.287 0.049 0.000 0.974 685 K CB 0.003 32.549 32.500 0.077 0.000 0.962 685 K HN 0.558 nan 8.250 nan 0.000 0.474 686 I N -1.763 118.760 120.570 -0.078 0.000 2.802 686 I HA 0.596 4.767 4.170 0.003 0.000 0.298 686 I C 0.043 175.947 176.117 -0.355 0.000 1.176 686 I CA -1.213 59.905 61.300 -0.304 0.000 1.025 686 I CB 2.407 40.191 38.000 -0.359 0.000 1.243 686 I HN 0.428 nan 8.210 nan 0.000 0.424 687 G N 2.999 111.417 108.800 -0.638 0.000 2.471 687 G HA2 0.776 4.738 3.960 0.003 0.000 0.332 687 G HA3 0.776 4.738 3.960 0.003 0.000 0.332 687 G C -1.680 172.964 174.900 -0.427 0.000 1.176 687 G CA -0.526 44.321 45.100 -0.422 0.000 0.949 687 G HN 0.489 nan 8.290 nan 0.000 0.488 688 F N -1.245 118.766 119.950 0.102 0.000 2.613 688 F HA 0.367 4.896 4.527 0.002 0.000 0.314 688 F C 0.165 176.023 175.800 0.097 0.000 1.075 688 F CA -0.476 57.568 58.000 0.073 0.000 0.945 688 F CB 2.271 41.327 39.000 0.092 0.000 1.310 688 F HN 0.577 nan 8.300 nan 0.000 0.467 689 D N 1.575 122.155 120.400 0.300 0.000 2.802 689 D HA -0.132 4.509 4.640 0.003 0.000 0.229 689 D C -0.825 175.568 176.300 0.155 0.000 1.203 689 D CA 0.871 54.981 54.000 0.184 0.000 0.712 689 D CB -0.526 40.375 40.800 0.168 0.000 0.973 689 D HN 0.786 nan 8.370 nan 0.000 0.407 690 A N 1.459 124.350 122.820 0.118 0.000 2.311 690 A HA 0.822 5.143 4.320 0.003 0.000 0.334 690 A C 0.137 177.767 177.584 0.076 0.000 1.139 690 A CA -0.580 51.533 52.037 0.127 0.000 0.830 690 A CB 1.191 20.252 19.000 0.101 0.000 1.234 690 A HN 0.785 nan 8.150 nan 0.000 0.483 691 I N 0.644 121.269 120.570 0.093 0.000 2.548 691 I HA 0.577 4.749 4.170 0.003 0.000 0.287 691 I C -0.935 175.220 176.117 0.062 0.000 1.103 691 I CA -0.684 60.644 61.300 0.048 0.000 1.049 691 I CB 1.517 39.539 38.000 0.038 0.000 1.232 691 I HN 0.822 nan 8.210 nan 0.000 0.429 692 M N 7.409 127.022 119.600 0.023 0.000 2.209 692 M HA 0.564 5.046 4.480 0.003 0.000 0.355 692 M C -1.042 175.261 176.300 0.004 0.000 1.171 692 M CA -0.401 54.924 55.300 0.042 0.000 1.069 692 M CB 1.122 33.754 32.600 0.053 0.000 1.622 692 M HN 0.814 nan 8.290 nan 0.000 0.459 693 R N 3.683 124.218 120.500 0.059 0.000 2.561 693 R HA 0.625 4.967 4.340 0.003 0.000 0.297 693 R C -2.218 174.150 176.300 0.113 0.000 0.969 693 R CA -0.569 55.564 56.100 0.055 0.000 0.879 693 R CB 2.054 32.393 30.300 0.065 0.000 1.178 693 R HN 0.606 nan 8.270 nan 0.000 0.445 694 V N 5.895 125.904 119.914 0.158 0.000 2.275 694 V HA 0.452 4.573 4.120 0.003 0.000 0.272 694 V C 0.094 176.271 176.094 0.140 0.000 1.028 694 V CA -0.657 61.765 62.300 0.203 0.000 0.810 694 V CB 0.867 32.886 31.823 0.328 0.000 1.043 694 V HN 0.703 nan 8.190 nan 0.000 0.453 695 R N 2.538 123.060 120.500 0.037 0.000 2.459 695 R HA 0.671 5.013 4.340 0.003 0.000 0.281 695 R C 0.355 176.606 176.300 -0.081 0.000 1.050 695 R CA -0.234 55.814 56.100 -0.087 0.000 1.055 695 R CB 1.589 31.732 30.300 -0.263 0.000 1.045 695 R HN 0.770 nan 8.270 nan 0.000 0.495 696 T N -2.233 112.238 114.554 -0.137 0.000 2.888 696 T HA 0.400 4.752 4.350 0.003 0.000 0.288 696 T C 0.161 174.876 174.700 0.025 0.000 1.063 696 T CA -0.987 60.990 62.100 -0.204 0.000 1.010 696 T CB 1.552 69.810 68.868 -1.017 0.000 1.214 696 T HN 0.559 nan 8.240 nan 0.000 0.533 697 S N 0.203 115.963 115.700 0.100 0.000 2.645 697 S HA 0.423 4.894 4.470 0.003 0.000 0.266 697 S C 0.197 174.866 174.600 0.114 0.000 1.258 697 S CA -0.696 57.618 58.200 0.189 0.000 0.990 697 S CB -0.116 63.143 63.200 0.100 0.000 0.967 697 S HN 0.843 nan 8.310 nan 0.000 0.556 698 T N 1.756 116.382 114.554 0.118 0.000 2.866 698 T HA 0.446 4.798 4.350 0.003 0.000 0.293 698 T C 1.435 176.247 174.700 0.187 0.000 1.005 698 T CA 0.989 63.155 62.100 0.110 0.000 1.162 698 T CB -0.246 68.672 68.868 0.083 0.000 0.968 698 T HN 1.408 nan 8.240 nan 0.000 0.530 699 G N 2.851 111.767 108.800 0.193 0.000 2.617 699 G HA2 -0.080 3.881 3.960 0.003 0.000 0.197 699 G HA3 -0.080 3.881 3.960 0.003 0.000 0.197 699 G C -0.099 175.020 174.900 0.365 0.000 1.017 699 G CA -0.092 45.175 45.100 0.279 0.000 0.713 699 G HN 0.882 nan 8.290 nan 0.000 0.481 700 F N 0.316 120.279 119.950 0.023 0.000 2.685 700 F HA 0.931 5.460 4.527 0.003 0.000 0.315 700 F C -0.480 175.362 175.800 0.069 0.000 1.126 700 F CA -1.046 56.956 58.000 0.003 0.000 0.950 700 F CB 1.244 40.192 39.000 -0.088 0.000 1.360 700 F HN 0.495 nan 8.300 nan 0.000 0.469 701 R N 1.253 121.700 120.500 -0.088 0.000 2.712 701 R HA 0.767 5.108 4.340 0.003 0.000 0.272 701 R C -1.923 174.475 176.300 0.163 0.000 1.032 701 R CA -1.043 54.999 56.100 -0.097 0.000 0.874 701 R CB 1.397 31.672 30.300 -0.043 0.000 1.256 701 R HN 1.131 nan 8.270 nan 0.000 0.468 702 A N 0.734 123.652 122.820 0.163 0.000 2.451 702 A HA 0.295 4.616 4.320 0.003 0.000 0.266 702 A C 0.901 178.434 177.584 -0.084 0.000 1.119 702 A CA 0.392 52.407 52.037 -0.036 0.000 0.786 702 A CB 0.098 19.117 19.000 0.032 0.000 1.061 702 A HN 0.859 nan 8.150 nan 0.000 0.503 703 T N -1.381 113.036 114.554 -0.228 0.000 3.004 703 T HA 0.292 4.644 4.350 0.003 0.000 0.266 703 T C -0.053 174.529 174.700 -0.196 0.000 0.986 703 T CA 0.371 62.401 62.100 -0.117 0.000 0.902 703 T CB 0.151 68.990 68.868 -0.048 0.000 1.118 703 T HN 0.583 nan 8.240 nan 0.000 0.522 704 D N -0.402 119.680 120.400 -0.530 0.000 2.717 704 D HA 0.496 5.138 4.640 0.003 0.000 0.223 704 D C -1.908 173.809 176.300 -0.971 0.000 1.240 704 D CA -0.495 53.206 54.000 -0.498 0.000 0.801 704 D CB 2.047 42.695 40.800 -0.253 0.000 1.556 704 D HN 0.149 nan 8.370 nan 0.000 0.462 705 F N 1.238 120.892 119.950 -0.493 0.000 2.576 705 F HA 0.637 5.166 4.527 0.003 0.000 0.313 705 F C -0.533 174.871 175.800 -0.660 0.000 1.078 705 F CA -0.805 56.978 58.000 -0.361 0.000 0.921 705 F CB 1.725 40.617 39.000 -0.180 0.000 1.232 705 F HN 0.067 nan 8.300 nan 0.000 0.459 706 F N 1.002 121.026 119.950 0.123 0.000 2.562 706 F HA 0.813 5.341 4.527 0.003 0.000 0.319 706 F C 0.178 176.006 175.800 0.046 0.000 1.154 706 F CA -1.145 56.887 58.000 0.052 0.000 0.931 706 F CB 1.909 40.896 39.000 -0.021 0.000 1.198 706 F HN 0.699 nan 8.300 nan 0.000 0.444 707 G N 0.546 109.450 108.800 0.175 0.000 2.315 707 G HA2 0.414 4.376 3.960 0.003 0.000 0.294 707 G HA3 0.414 4.376 3.960 0.003 0.000 0.294 707 G C -0.872 174.053 174.900 0.042 0.000 1.300 707 G CA -0.324 44.834 45.100 0.096 0.000 0.843 707 G HN 0.864 nan 8.290 nan 0.000 0.527 708 G N 0.524 109.326 108.800 0.004 0.000 2.916 708 G HA2 0.564 4.526 3.960 0.003 0.000 0.280 708 G HA3 0.564 4.526 3.960 0.003 0.000 0.280 708 G C 0.389 175.274 174.900 -0.025 0.000 0.758 708 G CA 0.696 45.782 45.100 -0.023 0.000 1.993 708 G HN 1.282 nan 8.290 nan 0.000 0.564 709 I N -1.609 118.953 120.570 -0.013 0.000 3.264 709 I HA 0.870 5.042 4.170 0.003 0.000 0.315 709 I C -1.806 174.292 176.117 -0.033 0.000 1.154 709 I CA -1.788 59.495 61.300 -0.028 0.000 0.962 709 I CB 2.490 40.473 38.000 -0.028 0.000 1.265 709 I HN 0.039 nan 8.210 nan 0.000 0.463 710 L N 2.577 123.770 121.223 -0.050 0.000 2.470 710 L HA 0.640 4.981 4.340 0.003 0.000 0.268 710 L C -1.453 175.372 176.870 -0.075 0.000 0.964 710 L CA -0.360 54.451 54.840 -0.047 0.000 0.839 710 L CB 1.997 44.037 42.059 -0.033 0.000 1.276 710 L HN 0.676 nan 8.230 nan 0.000 0.403 711 M N 4.644 124.199 119.600 -0.074 0.000 2.204 711 M HA 0.434 4.916 4.480 0.003 0.000 0.293 711 M C 0.105 176.367 176.300 -0.064 0.000 0.994 711 M CA -0.533 54.709 55.300 -0.097 0.000 0.925 711 M CB 1.959 34.477 32.600 -0.137 0.000 1.577 711 M HN 0.520 nan 8.290 nan 0.000 0.439 712 N N 1.374 120.037 118.700 -0.062 0.000 2.432 712 N HA 0.048 4.790 4.740 0.003 0.000 0.174 712 N C -0.032 175.454 175.510 -0.041 0.000 1.037 712 N CA 0.564 53.588 53.050 -0.043 0.000 0.892 712 N CB 0.404 38.867 38.487 -0.041 0.000 1.049 712 N HN 0.736 nan 8.380 nan 0.000 0.442 713 N N -0.151 118.518 118.700 -0.052 0.000 2.938 713 N HA 0.119 4.861 4.740 0.003 0.000 0.335 713 N C 0.131 175.613 175.510 -0.047 0.000 1.358 713 N CA -0.178 52.847 53.050 -0.042 0.000 0.812 713 N CB 0.511 38.973 38.487 -0.041 0.000 1.233 713 N HN -0.153 nan 8.380 nan 0.000 0.593 714 T N -4.597 109.941 114.554 -0.027 0.000 3.215 714 T HA 0.184 4.535 4.350 0.003 0.000 0.271 714 T C 0.822 175.533 174.700 0.018 0.000 1.012 714 T CA 0.280 62.383 62.100 0.004 0.000 0.899 714 T CB -0.786 68.103 68.868 0.035 0.000 1.089 714 T HN 0.754 nan 8.240 nan 0.000 0.552 715 T N -3.125 111.393 114.554 -0.060 0.000 3.051 715 T HA 0.230 4.582 4.350 0.003 0.000 0.254 715 T C -0.307 174.282 174.700 -0.184 0.000 0.916 715 T CA -0.199 61.864 62.100 -0.062 0.000 0.894 715 T CB 0.258 69.118 68.868 -0.014 0.000 1.251 715 T HN 0.181 nan 8.240 nan 0.000 0.517 716 D N 2.661 122.948 120.400 -0.189 0.000 2.373 716 D HA 0.453 5.095 4.640 0.003 0.000 0.227 716 D C -0.570 175.569 176.300 -0.268 0.000 1.091 716 D CA -0.208 53.679 54.000 -0.188 0.000 0.840 716 D CB 2.189 42.931 40.800 -0.096 0.000 1.060 716 D HN 0.169 nan 8.370 nan 0.000 0.502 717 V N 3.357 123.072 119.914 -0.331 0.000 2.389 717 V HA 0.069 4.191 4.120 0.003 0.000 0.264 717 V C 0.651 176.658 176.094 -0.144 0.000 1.049 717 V CA -0.364 61.747 62.300 -0.316 0.000 0.932 717 V CB 0.407 32.022 31.823 -0.348 0.000 1.011 717 V HN 0.308 nan 8.190 nan 0.000 0.475 718 E N 6.170 126.302 120.200 -0.113 0.000 2.134 718 E HA 0.535 4.887 4.350 0.003 0.000 0.278 718 E C -0.813 175.759 176.600 -0.047 0.000 0.959 718 E CA -0.332 56.032 56.400 -0.060 0.000 0.783 718 E CB 1.541 31.209 29.700 -0.053 0.000 1.095 718 E HN 0.609 nan 8.360 nan 0.000 0.399 719 M N 2.187 121.768 119.600 -0.031 0.000 2.046 719 M HA 0.309 4.791 4.480 0.003 0.000 0.309 719 M C 0.643 176.925 176.300 -0.031 0.000 0.935 719 M CA -0.447 54.826 55.300 -0.045 0.000 0.915 719 M CB 1.786 34.349 32.600 -0.063 0.000 1.474 719 M HN 0.649 nan 8.290 nan 0.000 0.415 720 A N 2.693 125.502 122.820 -0.018 0.000 1.978 720 A HA 0.295 4.616 4.320 0.003 0.000 0.220 720 A C 0.996 178.591 177.584 0.017 0.000 1.170 720 A CA 1.833 53.890 52.037 0.034 0.000 0.636 720 A CB -0.037 18.989 19.000 0.043 0.000 0.810 720 A HN 0.842 nan 8.150 nan 0.000 0.448 721 A N -1.736 121.011 122.820 -0.122 0.000 2.572 721 A HA 0.740 5.062 4.320 0.003 0.000 0.295 721 A C -0.911 176.476 177.584 -0.327 0.000 1.072 721 A CA -0.284 51.549 52.037 -0.340 0.000 0.691 721 A CB 1.063 19.814 19.000 -0.415 0.000 1.291 721 A HN 0.796 nan 8.150 nan 0.000 0.404 722 I N 1.019 121.314 120.570 -0.460 0.000 2.775 722 I HA 0.565 4.736 4.170 0.003 0.000 0.295 722 I C -1.907 173.904 176.117 -0.509 0.000 1.287 722 I CA -0.487 60.563 61.300 -0.416 0.000 1.029 722 I CB 2.281 40.029 38.000 -0.419 0.000 1.282 722 I HN 0.972 nan 8.210 nan 0.000 0.426 723 D N 3.800 123.999 120.400 -0.335 0.000 2.614 723 D HA 0.269 4.911 4.640 0.003 0.000 0.264 723 D C 0.851 177.089 176.300 -0.103 0.000 1.092 723 D CA -0.453 53.392 54.000 -0.258 0.000 1.071 723 D CB 1.325 42.012 40.800 -0.188 0.000 1.443 723 D HN 0.645 nan 8.370 nan 0.000 0.528 724 C N -1.514 117.774 119.300 -0.020 0.000 2.430 724 C HA 0.027 4.488 4.460 0.003 0.000 0.288 724 C C 1.067 176.079 174.990 0.037 0.000 1.448 724 C CA 0.387 59.450 59.018 0.074 0.000 1.784 724 C CB -0.902 26.880 27.740 0.070 0.000 1.776 724 C HN 0.448 nan 8.230 nan 0.000 0.547 725 D N 0.318 120.709 120.400 -0.015 0.000 2.324 725 D HA 0.055 4.696 4.640 0.003 0.000 0.212 725 D C 0.662 176.947 176.300 -0.024 0.000 0.984 725 D CA 0.716 54.699 54.000 -0.029 0.000 0.885 725 D CB -0.198 40.557 40.800 -0.074 0.000 0.996 725 D HN 0.438 nan 8.370 nan 0.000 0.505 726 K N 1.408 121.786 120.400 -0.035 0.000 2.436 726 K HA 0.427 4.748 4.320 0.003 0.000 0.275 726 K C 0.018 176.631 176.600 0.021 0.000 0.999 726 K CA 0.007 56.278 56.287 -0.027 0.000 0.980 726 K CB 0.914 33.382 32.500 -0.054 0.000 0.919 726 K HN -0.038 nan 8.250 nan 0.000 0.484 727 A N 2.206 125.038 122.820 0.020 0.000 2.393 727 A HA 0.548 4.870 4.320 0.003 0.000 0.306 727 A C -0.935 176.685 177.584 0.060 0.000 1.050 727 A CA -0.785 51.280 52.037 0.047 0.000 0.724 727 A CB 1.352 20.371 19.000 0.032 0.000 1.248 727 A HN 0.317 nan 8.150 nan 0.000 0.424 728 V N 1.934 121.905 119.914 0.095 0.000 2.435 728 V HA 0.506 4.628 4.120 0.003 0.000 0.290 728 V C 0.127 176.309 176.094 0.148 0.000 1.030 728 V CA -0.297 62.083 62.300 0.134 0.000 0.881 728 V CB 1.805 33.725 31.823 0.161 0.000 0.983 728 V HN 0.917 nan 8.190 nan 0.000 0.445 729 T N 4.714 119.376 114.554 0.179 0.000 2.749 729 T HA 0.505 4.856 4.350 0.003 0.000 0.287 729 T C -0.273 174.544 174.700 0.195 0.000 0.970 729 T CA -0.264 61.927 62.100 0.151 0.000 0.980 729 T CB 1.227 70.141 68.868 0.077 0.000 0.924 729 T HN 0.357 nan 8.240 nan 0.000 0.456 730 V N 3.946 123.845 119.914 -0.025 0.000 2.384 730 V HA 0.380 4.502 4.120 0.003 0.000 0.287 730 V C 0.269 175.962 176.094 -0.668 0.000 1.020 730 V CA -0.896 61.169 62.300 -0.391 0.000 0.850 730 V CB 1.442 32.985 31.823 -0.467 0.000 0.987 730 V HN 0.855 nan 8.190 nan 0.000 0.436 731 E N 4.169 124.029 120.200 -0.566 0.000 2.249 731 E HA 0.571 4.923 4.350 0.003 0.000 0.280 731 E C -1.485 174.709 176.600 -0.677 0.000 1.016 731 E CA -0.456 55.638 56.400 -0.509 0.000 0.830 731 E CB 0.997 30.674 29.700 -0.039 0.000 1.081 731 E HN 0.497 nan 8.360 nan 0.000 0.395 732 F N 2.575 122.445 119.950 -0.134 0.000 2.523 732 F HA 0.568 5.097 4.527 0.003 0.000 0.329 732 F C 0.389 176.138 175.800 -0.085 0.000 1.061 732 F CA -0.992 56.988 58.000 -0.033 0.000 0.967 732 F CB 1.448 40.584 39.000 0.227 0.000 1.218 732 F HN 0.157 nan 8.300 nan 0.000 0.480 733 K N -0.317 120.187 120.400 0.174 0.000 2.482 733 K HA 0.347 4.668 4.320 0.003 0.000 0.257 733 K C -1.513 175.149 176.600 0.103 0.000 0.969 733 K CA -1.067 55.269 56.287 0.081 0.000 0.842 733 K CB 1.848 34.388 32.500 0.068 0.000 1.359 733 K HN 0.649 nan 8.250 nan 0.000 0.441 734 H N 0.834 119.973 119.070 0.115 0.000 2.803 734 H HA 0.024 4.582 4.556 0.003 0.000 0.330 734 H C 0.555 175.951 175.328 0.115 0.000 1.057 734 H CA 0.689 56.818 56.048 0.134 0.000 1.458 734 H CB 0.919 30.723 29.762 0.069 0.000 1.470 734 H HN 0.511 nan 8.280 nan 0.000 0.560 735 D N 0.918 121.462 120.400 0.241 0.000 2.431 735 D HA -0.022 4.619 4.640 0.003 0.000 0.235 735 D C 0.439 176.825 176.300 0.143 0.000 0.980 735 D CA 0.810 54.903 54.000 0.155 0.000 0.912 735 D CB 0.885 41.756 40.800 0.119 0.000 1.056 735 D HN 0.647 nan 8.370 nan 0.000 0.494 736 D N -1.149 119.360 120.400 0.181 0.000 4.224 736 D HA 0.200 4.841 4.640 0.003 0.000 0.305 736 D C -1.010 175.391 176.300 0.167 0.000 1.612 736 D CA -0.258 53.823 54.000 0.135 0.000 0.977 736 D CB 0.906 41.771 40.800 0.108 0.000 1.419 736 D HN -0.203 nan 8.370 nan 0.000 0.661 737 K N 0.625 121.101 120.400 0.128 0.000 2.316 737 K HA 0.563 4.885 4.320 0.003 0.000 0.251 737 K C -0.684 175.991 176.600 0.124 0.000 0.934 737 K CA -0.580 55.775 56.287 0.114 0.000 0.802 737 K CB 2.480 35.008 32.500 0.046 0.000 1.171 737 K HN 0.235 nan 8.250 nan 0.000 0.426 738 L N 0.995 122.295 121.223 0.127 0.000 2.375 738 L HA 0.389 4.731 4.340 0.003 0.000 0.268 738 L C 0.248 177.139 176.870 0.035 0.000 1.058 738 L CA -0.734 54.154 54.840 0.081 0.000 0.803 738 L CB 1.669 43.759 42.059 0.052 0.000 1.212 738 L HN 0.645 nan 8.230 nan 0.000 0.451 739 S N -1.230 114.475 115.700 0.009 0.000 2.442 739 S HA 0.189 4.660 4.470 0.003 0.000 0.297 739 S C 0.463 175.053 174.600 -0.018 0.000 1.131 739 S CA -0.730 57.469 58.200 -0.002 0.000 1.092 739 S CB 1.345 64.542 63.200 -0.005 0.000 0.998 739 S HN 0.746 nan 8.310 nan 0.000 0.478 740 E N 1.387 121.582 120.200 -0.009 0.000 2.510 740 E HA -0.195 4.157 4.350 0.003 0.000 0.202 740 E C 0.816 177.405 176.600 -0.018 0.000 1.072 740 E CA 0.855 57.248 56.400 -0.012 0.000 0.883 740 E CB 0.116 29.816 29.700 -0.000 0.000 0.818 740 E HN 0.810 nan 8.360 nan 0.000 0.548 741 D N -1.295 119.094 120.400 -0.020 0.000 2.338 741 D HA 0.045 4.687 4.640 0.003 0.000 0.224 741 D C 1.408 177.687 176.300 -0.036 0.000 0.967 741 D CA 0.477 54.465 54.000 -0.020 0.000 0.896 741 D CB 0.400 41.193 40.800 -0.011 0.000 1.028 741 D HN 0.073 nan 8.370 nan 0.000 0.493 742 S N -0.228 115.442 115.700 -0.050 0.000 2.470 742 S HA 0.321 4.793 4.470 0.003 0.000 0.222 742 S C 1.207 175.731 174.600 -0.125 0.000 1.024 742 S CA 0.530 58.681 58.200 -0.081 0.000 0.931 742 S CB 1.029 64.183 63.200 -0.076 0.000 0.791 742 S HN 0.594 nan 8.310 nan 0.000 0.513 743 G N 1.491 110.222 108.800 -0.115 0.000 2.562 743 G HA2 0.053 4.015 3.960 0.003 0.000 0.250 743 G HA3 0.053 4.015 3.960 0.003 0.000 0.250 743 G C -0.319 174.437 174.900 -0.240 0.000 1.269 743 G CA -0.477 44.520 45.100 -0.171 0.000 0.919 743 G HN 1.078 nan 8.290 nan 0.000 0.574 744 A N -0.766 121.825 122.820 -0.382 0.000 2.330 744 A HA 0.794 5.116 4.320 0.003 0.000 0.313 744 A C -0.088 177.274 177.584 -0.370 0.000 1.124 744 A CA -0.454 51.294 52.037 -0.483 0.000 0.774 744 A CB 1.050 19.325 19.000 -1.207 0.000 1.198 744 A HN 1.141 nan 8.150 nan 0.000 0.465 745 L N 2.257 123.389 121.223 -0.151 0.000 2.334 745 L HA 0.684 5.026 4.340 0.003 0.000 0.270 745 L C -0.606 176.330 176.870 0.110 0.000 1.018 745 L CA -0.667 54.021 54.840 -0.253 0.000 0.811 745 L CB 1.715 43.360 42.059 -0.690 0.000 1.271 745 L HN 0.590 nan 8.230 nan 0.000 0.443 746 I N 1.531 122.208 120.570 0.178 0.000 2.656 746 I HA 0.300 4.472 4.170 0.003 0.000 0.292 746 I C -0.919 175.443 176.117 0.409 0.000 1.144 746 I CA -0.403 61.059 61.300 0.270 0.000 1.038 746 I CB 2.534 40.625 38.000 0.153 0.000 1.244 746 I HN 0.585 nan 8.210 nan 0.000 0.420 747 Q N 5.443 125.432 119.800 0.315 0.000 2.337 747 Q HA 0.344 4.686 4.340 0.003 0.000 0.260 747 Q C -1.555 174.542 176.000 0.161 0.000 0.982 747 Q CA -0.440 55.512 55.803 0.248 0.000 0.734 747 Q CB 2.225 31.050 28.738 0.145 0.000 1.272 747 Q HN 0.808 nan 8.270 nan 0.000 0.461 748 C N 3.291 122.691 119.300 0.166 0.000 2.369 748 C HA 0.914 5.375 4.460 0.003 0.000 0.358 748 C C -0.186 174.833 174.990 0.048 0.000 1.274 748 C CA -0.025 59.080 59.018 0.145 0.000 1.935 748 C CB -0.316 27.538 27.740 0.191 0.000 2.431 748 C HN 0.814 nan 8.230 nan 0.000 0.545 749 A N 5.335 128.193 122.820 0.062 0.000 2.374 749 A HA 0.757 5.078 4.320 0.003 0.000 0.305 749 A C -1.215 176.389 177.584 0.033 0.000 1.053 749 A CA -0.382 51.649 52.037 -0.011 0.000 0.726 749 A CB 1.430 20.509 19.000 0.132 0.000 1.229 749 A HN 0.893 nan 8.150 nan 0.000 0.431 750 V N 3.446 123.362 119.914 0.003 0.000 2.443 750 V HA 0.381 4.502 4.120 0.003 0.000 0.293 750 V C -0.724 175.509 176.094 0.231 0.000 1.021 750 V CA -0.453 61.928 62.300 0.135 0.000 0.848 750 V CB 1.315 33.258 31.823 0.199 0.000 0.998 750 V HN 0.853 nan 8.190 nan 0.000 0.424 751 L N 7.797 129.147 121.223 0.212 0.000 2.312 751 L HA 0.774 5.116 4.340 0.003 0.000 0.281 751 L C -0.672 176.387 176.870 0.315 0.000 1.070 751 L CA 0.222 55.176 54.840 0.191 0.000 0.805 751 L CB 0.738 42.896 42.059 0.166 0.000 1.174 751 L HN 0.705 nan 8.230 nan 0.000 0.434 752 Y N 0.465 120.810 120.300 0.075 0.000 2.788 752 Y HA 0.692 5.243 4.550 0.003 0.000 0.335 752 Y C -1.183 174.772 175.900 0.093 0.000 1.287 752 Y CA -1.137 57.013 58.100 0.084 0.000 1.068 752 Y CB 0.925 39.429 38.460 0.073 0.000 1.340 752 Y HN 0.413 nan 8.280 nan 0.000 0.449 753 T N 1.965 116.644 114.554 0.207 0.000 2.829 753 T HA 0.513 4.865 4.350 0.003 0.000 0.280 753 T C -0.236 174.639 174.700 0.292 0.000 0.999 753 T CA -0.404 61.768 62.100 0.119 0.000 0.983 753 T CB 1.263 70.221 68.868 0.151 0.000 0.968 753 T HN 0.869 nan 8.240 nan 0.000 0.446 754 T N -0.177 114.476 114.554 0.165 0.000 2.847 754 T HA 0.391 4.742 4.350 0.003 0.000 0.279 754 T C 1.841 176.685 174.700 0.240 0.000 0.984 754 T CA -0.927 61.329 62.100 0.261 0.000 0.988 754 T CB 0.277 69.242 68.868 0.163 0.000 1.040 754 T HN 0.623 nan 8.240 nan 0.000 0.528 755 I N -0.781 119.940 120.570 0.251 0.000 2.850 755 I HA -0.020 4.151 4.170 0.003 0.000 0.266 755 I C 1.745 177.908 176.117 0.077 0.000 1.257 755 I CA 1.083 62.494 61.300 0.185 0.000 1.465 755 I CB -0.677 37.435 38.000 0.187 0.000 1.091 755 I HN 0.640 nan 8.210 nan 0.000 0.467 756 S N 0.259 116.005 115.700 0.077 0.000 2.540 756 S HA 0.421 4.893 4.470 0.003 0.000 0.218 756 S C 1.449 176.065 174.600 0.027 0.000 0.977 756 S CA 0.159 58.384 58.200 0.041 0.000 0.918 756 S CB 0.245 63.472 63.200 0.045 0.000 0.806 756 S HN 0.813 nan 8.310 nan 0.000 0.496 757 G N 1.078 109.901 108.800 0.037 0.000 2.171 757 G HA2 -0.205 3.757 3.960 0.003 0.000 0.238 757 G HA3 -0.205 3.757 3.960 0.003 0.000 0.238 757 G C -0.404 174.503 174.900 0.013 0.000 1.039 757 G CA -0.194 44.919 45.100 0.021 0.000 0.759 757 G HN 0.598 nan 8.290 nan 0.000 0.501 758 Q N -0.959 118.845 119.800 0.006 0.000 2.282 758 Q HA 0.579 4.921 4.340 0.003 0.000 0.260 758 Q C 0.241 176.186 176.000 -0.092 0.000 0.964 758 Q CA -1.101 54.684 55.803 -0.030 0.000 0.880 758 Q CB 1.537 30.258 28.738 -0.028 0.000 1.286 758 Q HN 0.177 nan 8.270 nan 0.000 0.445 759 R N 2.311 122.758 120.500 -0.089 0.000 2.296 759 R HA 0.220 4.562 4.340 0.003 0.000 0.323 759 R C -0.925 175.229 176.300 -0.243 0.000 1.067 759 R CA 0.355 56.373 56.100 -0.136 0.000 0.946 759 R CB 0.265 30.540 30.300 -0.041 0.000 0.991 759 R HN 0.508 nan 8.270 nan 0.000 0.448 760 R N 3.427 123.650 120.500 -0.462 0.000 2.795 760 R HA 0.539 4.881 4.340 0.003 0.000 0.275 760 R C -1.259 174.776 176.300 -0.441 0.000 0.981 760 R CA -0.738 55.066 56.100 -0.493 0.000 0.917 760 R CB 1.275 31.226 30.300 -0.582 0.000 1.202 760 R HN 0.491 nan 8.270 nan 0.000 0.469 761 L N 3.070 124.142 121.223 -0.251 0.000 2.333 761 L HA 0.573 4.915 4.340 0.003 0.000 0.280 761 L C -0.431 176.349 176.870 -0.150 0.000 1.004 761 L CA -0.786 53.943 54.840 -0.185 0.000 0.820 761 L CB 1.964 43.817 42.059 -0.344 0.000 1.247 761 L HN 0.546 nan 8.230 nan 0.000 0.416 762 R N 3.903 124.327 120.500 -0.126 0.000 2.387 762 R HA 0.642 4.984 4.340 0.003 0.000 0.314 762 R C -1.178 174.763 176.300 -0.598 0.000 0.958 762 R CA -0.582 55.281 56.100 -0.395 0.000 0.846 762 R CB 1.125 31.117 30.300 -0.514 0.000 1.147 762 R HN 0.420 nan 8.270 nan 0.000 0.447 763 I N 4.007 124.060 120.570 -0.862 0.000 2.530 763 I HA 0.373 4.545 4.170 0.003 0.000 0.297 763 I C -0.471 175.004 176.117 -1.069 0.000 1.011 763 I CA -0.765 60.017 61.300 -0.863 0.000 1.107 763 I CB 1.725 39.153 38.000 -0.955 0.000 1.285 763 I HN 0.691 nan 8.210 nan 0.000 0.436 764 H N 4.786 123.626 119.070 -0.382 0.000 3.078 764 H HA 0.400 4.958 4.556 0.003 0.000 0.319 764 H C -0.794 174.505 175.328 -0.049 0.000 0.995 764 H CA -0.592 55.294 56.048 -0.270 0.000 1.417 764 H CB 1.485 31.117 29.762 -0.216 0.000 1.598 764 H HN 0.477 nan 8.280 nan 0.000 0.515 765 N N 2.790 121.556 118.700 0.109 0.000 2.443 765 N HA 0.362 5.104 4.740 0.003 0.000 0.295 765 N C -0.674 175.047 175.510 0.353 0.000 1.076 765 N CA -0.686 52.546 53.050 0.302 0.000 0.919 765 N CB 2.853 41.444 38.487 0.173 0.000 1.176 765 N HN 0.327 nan 8.380 nan 0.000 0.487 766 L N 0.353 121.859 121.223 0.471 0.000 2.505 766 L HA 0.543 4.885 4.340 0.003 0.000 0.266 766 L C -0.563 176.451 176.870 0.239 0.000 0.954 766 L CA -0.421 54.625 54.840 0.343 0.000 0.852 766 L CB 1.815 44.005 42.059 0.218 0.000 1.282 766 L HN 0.577 nan 8.230 nan 0.000 0.403 767 G N 5.725 114.664 108.800 0.232 0.000 2.384 767 G HA2 0.592 4.553 3.960 0.003 0.000 0.316 767 G HA3 0.592 4.553 3.960 0.003 0.000 0.316 767 G C -0.906 173.955 174.900 -0.065 0.000 1.160 767 G CA -0.462 44.604 45.100 -0.057 0.000 0.936 767 G HN 0.578 nan 8.290 nan 0.000 0.455 768 L N 1.905 122.998 121.223 -0.218 0.000 2.365 768 L HA 0.488 4.830 4.340 0.003 0.000 0.267 768 L C 0.059 176.798 176.870 -0.218 0.000 1.033 768 L CA -1.330 53.374 54.840 -0.226 0.000 0.802 768 L CB 1.458 43.207 42.059 -0.517 0.000 1.267 768 L HN 0.343 nan 8.230 nan 0.000 0.457 769 N N -0.518 118.106 118.700 -0.127 0.000 2.458 769 N HA 0.442 5.183 4.740 0.003 0.000 0.271 769 N C -1.021 174.423 175.510 -0.109 0.000 1.210 769 N CA -0.317 52.680 53.050 -0.089 0.000 0.978 769 N CB 1.806 40.285 38.487 -0.013 0.000 1.206 769 N HN 0.529 nan 8.380 nan 0.000 0.536 770 C N -0.376 118.882 119.300 -0.069 0.000 2.994 770 C HA 0.828 5.290 4.460 0.003 0.000 0.304 770 C C -0.500 174.490 174.990 0.000 0.000 1.273 770 C CA -0.231 58.764 59.018 -0.039 0.000 1.537 770 C CB 1.125 28.820 27.740 -0.074 0.000 2.001 770 C HN 0.728 nan 8.230 nan 0.000 0.471 771 S N 0.933 116.648 115.700 0.024 0.000 2.565 771 S HA 0.444 4.915 4.470 0.003 0.000 0.274 771 S C 0.356 174.973 174.600 0.028 0.000 1.144 771 S CA 0.290 58.505 58.200 0.026 0.000 0.849 771 S CB 1.291 64.512 63.200 0.036 0.000 1.103 771 S HN 1.540 nan 8.310 nan 0.000 0.455 772 S N 1.929 117.642 115.700 0.022 0.000 2.528 772 S HA 0.202 4.674 4.470 0.003 0.000 0.219 772 S C 0.242 174.857 174.600 0.026 0.000 0.985 772 S CA -0.070 58.140 58.200 0.016 0.000 0.914 772 S CB -0.147 63.059 63.200 0.009 0.000 0.776 772 S HN 0.647 nan 8.310 nan 0.000 0.526 773 Q N 0.987 120.810 119.800 0.038 0.000 2.274 773 Q HA 0.443 4.784 4.340 0.003 0.000 0.256 773 Q C 0.878 176.929 176.000 0.085 0.000 0.927 773 Q CA -0.210 55.624 55.803 0.052 0.000 0.939 773 Q CB 1.538 30.305 28.738 0.049 0.000 1.201 773 Q HN 0.315 nan 8.270 nan 0.000 0.426 774 L N 1.277 122.566 121.223 0.110 0.000 2.131 774 L HA -0.217 4.124 4.340 0.003 0.000 0.210 774 L C 2.027 179.082 176.870 0.309 0.000 1.092 774 L CA 1.292 56.254 54.840 0.204 0.000 0.759 774 L CB -0.390 41.811 42.059 0.236 0.000 0.903 774 L HN 0.741 nan 8.230 nan 0.000 0.435 775 A N 0.196 123.141 122.820 0.208 0.000 1.892 775 A HA -0.269 4.052 4.320 0.003 0.000 0.218 775 A C 1.961 179.686 177.584 0.235 0.000 1.188 775 A CA 2.152 54.324 52.037 0.225 0.000 0.631 775 A CB -0.588 18.483 19.000 0.118 0.000 0.822 775 A HN 0.394 nan 8.150 nan 0.000 0.447 776 D N -0.210 120.285 120.400 0.157 0.000 2.149 776 D HA -0.142 4.500 4.640 0.003 0.000 0.198 776 D C 1.932 178.307 176.300 0.126 0.000 0.990 776 D CA 0.959 55.033 54.000 0.124 0.000 0.839 776 D CB -0.349 40.502 40.800 0.085 0.000 0.948 776 D HN 0.429 nan 8.370 nan 0.000 0.460 777 L N -0.106 121.187 121.223 0.117 0.000 1.994 777 L HA -0.241 4.100 4.340 0.003 0.000 0.208 777 L C 2.375 179.241 176.870 -0.007 0.000 1.071 777 L CA 1.512 56.363 54.840 0.017 0.000 0.745 777 L CB -0.327 41.688 42.059 -0.075 0.000 0.892 777 L HN 0.045 nan 8.230 nan 0.000 0.431 778 Y N 0.378 120.733 120.300 0.092 0.000 2.163 778 Y HA -0.223 4.329 4.550 0.003 0.000 0.288 778 Y C 2.613 178.536 175.900 0.038 0.000 1.136 778 Y CA 1.455 59.588 58.100 0.055 0.000 1.147 778 Y CB -0.261 38.248 38.460 0.082 0.000 0.987 778 Y HN 0.102 nan 8.280 nan 0.000 0.509 779 K N -0.523 120.017 120.400 0.233 0.000 2.286 779 K HA -0.119 4.202 4.320 0.003 0.000 0.203 779 K C 1.595 178.265 176.600 0.116 0.000 1.045 779 K CA 1.497 57.872 56.287 0.147 0.000 0.935 779 K CB -0.212 32.369 32.500 0.134 0.000 0.737 779 K HN 0.089 nan 8.250 nan 0.000 0.460 780 S N 0.044 115.819 115.700 0.126 0.000 2.540 780 S HA 0.092 4.564 4.470 0.003 0.000 0.218 780 S C 0.382 175.102 174.600 0.199 0.000 0.977 780 S CA -0.507 57.789 58.200 0.159 0.000 0.918 780 S CB 0.100 63.409 63.200 0.182 0.000 0.806 780 S HN 0.256 nan 8.310 nan 0.000 0.496 781 C N 2.219 121.588 119.300 0.115 0.000 2.649 781 C HA 0.372 4.834 4.460 0.003 0.000 0.377 781 C C 0.728 175.796 174.990 0.131 0.000 1.321 781 C CA -0.595 58.475 59.018 0.087 0.000 2.368 781 C CB -0.016 27.736 27.740 0.019 0.000 2.597 781 C HN 0.499 nan 8.230 nan 0.000 0.678 782 E N 0.141 120.413 120.200 0.120 0.000 2.255 782 E HA 0.214 4.565 4.350 0.003 0.000 0.256 782 E C 0.429 177.082 176.600 0.088 0.000 0.887 782 E CA -0.230 56.248 56.400 0.130 0.000 0.782 782 E CB 1.186 31.019 29.700 0.222 0.000 1.214 782 E HN 0.711 nan 8.360 nan 0.000 0.417 783 T N 3.398 118.006 114.554 0.091 0.000 2.665 783 T HA -0.173 4.179 4.350 0.003 0.000 0.268 783 T C 0.913 175.701 174.700 0.147 0.000 1.035 783 T CA 1.613 63.785 62.100 0.121 0.000 1.151 783 T CB -0.096 68.842 68.868 0.116 0.000 0.862 783 T HN 0.507 nan 8.240 nan 0.000 0.438 784 D N 1.230 121.714 120.400 0.140 0.000 2.104 784 D HA -0.076 4.565 4.640 0.003 0.000 0.194 784 D C 2.395 178.722 176.300 0.044 0.000 0.994 784 D CA 1.364 55.418 54.000 0.090 0.000 0.830 784 D CB -0.443 40.401 40.800 0.073 0.000 0.959 784 D HN 0.425 nan 8.370 nan 0.000 0.452 785 A N 1.019 123.867 122.820 0.047 0.000 1.858 785 A HA -0.140 4.182 4.320 0.003 0.000 0.216 785 A C 2.474 180.038 177.584 -0.033 0.000 1.190 785 A CA 0.963 53.005 52.037 0.009 0.000 0.617 785 A CB -0.917 18.091 19.000 0.013 0.000 0.827 785 A HN 0.180 nan 8.150 nan 0.000 0.443 786 L N -0.360 120.843 121.223 -0.033 0.000 2.012 786 L HA -0.212 4.130 4.340 0.003 0.000 0.210 786 L C 2.467 179.329 176.870 -0.014 0.000 1.073 786 L CA 1.022 55.806 54.840 -0.092 0.000 0.748 786 L CB -0.450 41.612 42.059 0.004 0.000 0.891 786 L HN 0.337 nan 8.230 nan 0.000 0.431 787 I N 0.086 120.700 120.570 0.073 0.000 2.264 787 I HA -0.321 3.850 4.170 0.003 0.000 0.248 787 I C 2.418 178.462 176.117 -0.122 0.000 1.111 787 I CA 1.429 62.742 61.300 0.022 0.000 1.382 787 I CB -1.370 36.607 38.000 -0.039 0.000 1.060 787 I HN 0.498 nan 8.210 nan 0.000 0.418 788 N N 0.935 119.579 118.700 -0.093 0.000 2.120 788 N HA -0.241 4.501 4.740 0.003 0.000 0.188 788 N C 2.104 177.491 175.510 -0.205 0.000 1.024 788 N CA 1.258 54.234 53.050 -0.124 0.000 0.852 788 N CB -0.207 38.243 38.487 -0.061 0.000 1.003 788 N HN 0.253 nan 8.380 nan 0.000 0.424 789 F N 1.074 120.815 119.950 -0.348 0.000 2.031 789 F HA -0.064 4.464 4.527 0.003 0.000 0.295 789 F C 2.105 177.614 175.800 -0.485 0.000 1.133 789 F CA 1.436 59.133 58.000 -0.506 0.000 1.188 789 F CB -1.100 37.547 39.000 -0.588 0.000 0.974 789 F HN -0.062 nan 8.300 nan 0.000 0.473 790 F N 0.692 120.390 119.950 -0.419 0.000 2.085 790 F HA -0.352 4.176 4.527 0.003 0.000 0.299 790 F C 2.627 178.083 175.800 -0.575 0.000 1.096 790 F CA 1.228 58.927 58.000 -0.502 0.000 1.227 790 F CB -1.066 37.803 39.000 -0.218 0.000 0.983 790 F HN 0.204 nan 8.300 nan 0.000 0.482 791 A N 0.223 122.806 122.820 -0.396 0.000 1.845 791 A HA -0.227 4.094 4.320 0.003 0.000 0.215 791 A C 2.141 179.309 177.584 -0.692 0.000 1.195 791 A CA 1.911 53.574 52.037 -0.624 0.000 0.616 791 A CB -0.682 17.908 19.000 -0.684 0.000 0.832 791 A HN 0.326 nan 8.150 nan 0.000 0.443 792 K N -0.340 119.688 120.400 -0.620 0.000 2.063 792 K HA -0.135 4.187 4.320 0.003 0.000 0.208 792 K C 2.467 178.786 176.600 -0.469 0.000 1.048 792 K CA 1.444 57.436 56.287 -0.492 0.000 0.928 792 K CB -0.310 31.895 32.500 -0.492 0.000 0.713 792 K HN 0.474 nan 8.250 nan 0.000 0.442 793 S N 0.807 115.967 115.700 -0.900 0.000 2.359 793 S HA -0.179 4.293 4.470 0.003 0.000 0.224 793 S C 2.117 176.624 174.600 -0.155 0.000 1.035 793 S CA 1.356 59.152 58.200 -0.673 0.000 1.018 793 S CB -0.192 62.336 63.200 -1.120 0.000 0.876 793 S HN 0.374 nan 8.310 nan 0.000 0.448 794 A N 0.601 123.339 122.820 -0.136 0.000 1.873 794 A HA 0.095 4.417 4.320 0.003 0.000 0.215 794 A C 1.892 179.597 177.584 0.202 0.000 1.186 794 A CA 1.384 53.450 52.037 0.050 0.000 0.616 794 A CB -1.004 18.040 19.000 0.072 0.000 0.823 794 A HN 0.586 nan 8.150 nan 0.000 0.442 795 F N 0.234 120.120 119.950 -0.107 0.000 2.216 795 F HA -0.057 4.471 4.527 0.003 0.000 0.300 795 F C 2.188 177.948 175.800 -0.067 0.000 1.085 795 F CA 1.302 59.237 58.000 -0.107 0.000 1.326 795 F CB -0.446 38.501 39.000 -0.089 0.000 1.027 795 F HN 0.276 nan 8.300 nan 0.000 0.497 796 K N 0.204 120.735 120.400 0.217 0.000 2.116 796 K HA -0.007 4.314 4.320 0.003 0.000 0.203 796 K C 2.236 178.953 176.600 0.195 0.000 1.052 796 K CA 0.942 57.353 56.287 0.207 0.000 0.952 796 K CB -0.161 32.527 32.500 0.312 0.000 0.729 796 K HN 0.106 nan 8.250 nan 0.000 0.446 797 A N 0.801 123.726 122.820 0.175 0.000 2.019 797 A HA -0.093 4.229 4.320 0.003 0.000 0.219 797 A C 2.121 179.752 177.584 0.079 0.000 1.164 797 A CA 1.241 53.380 52.037 0.170 0.000 0.644 797 A CB -0.581 18.482 19.000 0.105 0.000 0.805 797 A HN 0.172 nan 8.150 nan 0.000 0.449 798 V N -0.338 119.551 119.914 -0.042 0.000 2.439 798 V HA -0.235 3.887 4.120 0.003 0.000 0.253 798 V C 1.797 177.803 176.094 -0.145 0.000 1.074 798 V CA 1.707 63.896 62.300 -0.184 0.000 1.076 798 V CB -0.601 30.925 31.823 -0.495 0.000 0.664 798 V HN 0.512 nan 8.190 nan 0.000 0.461 799 L N -0.734 120.394 121.223 -0.157 0.000 2.660 799 L HA 0.141 4.483 4.340 0.003 0.000 0.238 799 L C 1.219 177.786 176.870 -0.506 0.000 1.161 799 L CA 1.266 55.943 54.840 -0.272 0.000 0.937 799 L CB -1.267 40.588 42.059 -0.339 0.000 1.122 799 L HN 0.472 nan 8.230 nan 0.000 0.435 800 H N -3.208 115.872 119.070 0.016 0.000 3.881 800 H HA 0.309 4.867 4.556 0.003 0.000 0.256 800 H C 0.150 175.490 175.328 0.020 0.000 1.069 800 H CA -0.135 55.926 56.048 0.022 0.000 1.145 800 H CB 0.772 30.547 29.762 0.022 0.000 1.445 800 H HN 0.222 nan 8.280 nan 0.000 0.700 801 Q N 0.256 120.128 119.800 0.120 0.000 2.501 801 Q HA 0.381 4.722 4.340 0.003 0.000 0.288 801 Q C -2.899 173.126 176.000 0.043 0.000 1.051 801 Q CA -2.298 53.551 55.803 0.076 0.000 0.788 801 Q CB 2.658 31.439 28.738 0.072 0.000 1.469 801 Q HN -0.068 nan 8.270 nan 0.000 0.416 802 P HA 0.018 nan 4.420 nan 0.000 0.267 802 P C 0.311 177.621 177.300 0.016 0.000 1.205 802 P CA 0.173 63.289 63.100 0.027 0.000 0.765 802 P CB 0.529 32.245 31.700 0.027 0.000 0.828 803 L N 2.588 123.815 121.223 0.007 0.000 2.081 803 L HA -0.255 4.086 4.340 0.003 0.000 0.212 803 L C 2.234 179.105 176.870 0.002 0.000 1.080 803 L CA 1.853 56.689 54.840 -0.008 0.000 0.754 803 L CB -0.700 41.350 42.059 -0.015 0.000 0.893 803 L HN 0.527 nan 8.230 nan 0.000 0.433 804 K N 0.136 120.542 120.400 0.010 0.000 2.152 804 K HA -0.147 4.175 4.320 0.003 0.000 0.206 804 K C 1.941 178.550 176.600 0.014 0.000 1.048 804 K CA 1.122 57.417 56.287 0.013 0.000 0.933 804 K CB 0.100 32.609 32.500 0.015 0.000 0.721 804 K HN 0.123 nan 8.250 nan 0.000 0.447 805 V N 1.163 121.087 119.914 0.017 0.000 2.379 805 V HA -0.229 3.892 4.120 0.003 0.000 0.245 805 V C 2.171 178.276 176.094 0.018 0.000 1.044 805 V CA 1.554 63.866 62.300 0.020 0.000 1.036 805 V CB -0.337 31.501 31.823 0.025 0.000 0.664 805 V HN 0.292 nan 8.190 nan 0.000 0.453 806 I N -0.184 120.394 120.570 0.014 0.000 2.142 806 I HA -0.265 3.906 4.170 0.003 0.000 0.240 806 I C 2.805 178.921 176.117 -0.001 0.000 1.078 806 I CA 1.689 62.995 61.300 0.010 0.000 1.343 806 I CB -0.383 37.621 38.000 0.007 0.000 1.046 806 I HN 0.171 nan 8.210 nan 0.000 0.405 807 R N 0.608 121.106 120.500 -0.003 0.000 2.091 807 R HA -0.212 4.129 4.340 0.003 0.000 0.238 807 R C 2.210 178.510 176.300 0.001 0.000 1.136 807 R CA 1.546 57.642 56.100 -0.008 0.000 0.959 807 R CB -0.338 29.962 30.300 -0.000 0.000 0.856 807 R HN 0.356 nan 8.270 nan 0.000 0.437 808 E N 0.163 120.370 120.200 0.011 0.000 2.058 808 E HA -0.195 4.157 4.350 0.003 0.000 0.194 808 E C 1.846 178.455 176.600 0.014 0.000 0.997 808 E CA 1.379 57.790 56.400 0.019 0.000 0.801 808 E CB -0.067 29.645 29.700 0.020 0.000 0.746 808 E HN 0.278 nan 8.360 nan 0.000 0.450 809 I N 0.659 121.233 120.570 0.008 0.000 2.163 809 I HA -0.326 3.846 4.170 0.003 0.000 0.243 809 I C 2.298 178.400 176.117 -0.025 0.000 1.085 809 I CA 0.961 62.265 61.300 0.007 0.000 1.347 809 I CB -0.214 37.798 38.000 0.019 0.000 1.044 809 I HN 0.197 nan 8.210 nan 0.000 0.408 810 L N -0.179 121.004 121.223 -0.067 0.000 1.976 810 L HA -0.231 4.111 4.340 0.003 0.000 0.209 810 L C 2.616 179.412 176.870 -0.124 0.000 1.071 810 L CA 1.350 56.081 54.840 -0.182 0.000 0.746 810 L CB -0.638 41.307 42.059 -0.190 0.000 0.890 810 L HN 0.071 nan 8.230 nan 0.000 0.432 811 V N 0.231 120.141 119.914 -0.007 0.000 2.255 811 V HA -0.305 3.816 4.120 0.003 0.000 0.247 811 V C 2.210 178.332 176.094 0.048 0.000 1.051 811 V CA 2.045 64.400 62.300 0.092 0.000 1.018 811 V CB -0.768 31.137 31.823 0.136 0.000 0.641 811 V HN 0.510 nan 8.190 nan 0.000 0.445 812 N N -0.245 118.476 118.700 0.035 0.000 2.223 812 N HA -0.200 4.542 4.740 0.003 0.000 0.185 812 N C 1.897 177.457 175.510 0.083 0.000 1.016 812 N CA 1.306 54.388 53.050 0.054 0.000 0.863 812 N CB -0.275 38.244 38.487 0.053 0.000 0.983 812 N HN 0.613 nan 8.380 nan 0.000 0.429 813 Q N 0.221 120.043 119.800 0.036 0.000 2.123 813 Q HA -0.028 4.314 4.340 0.003 0.000 0.199 813 Q C 1.342 177.395 176.000 0.089 0.000 0.966 813 Q CA 1.114 56.954 55.803 0.061 0.000 0.845 813 Q CB 0.152 28.912 28.738 0.035 0.000 0.907 813 Q HN 0.283 nan 8.270 nan 0.000 0.439 814 T N 0.334 114.893 114.554 0.010 0.000 2.737 814 T HA -0.114 4.238 4.350 0.003 0.000 0.265 814 T C 1.743 176.494 174.700 0.084 0.000 1.038 814 T CA 1.229 63.355 62.100 0.044 0.000 1.144 814 T CB -0.281 68.625 68.868 0.064 0.000 0.866 814 T HN 0.410 nan 8.240 nan 0.000 0.434 815 A N 1.083 123.940 122.820 0.061 0.000 1.930 815 A HA -0.159 4.163 4.320 0.003 0.000 0.217 815 A C 2.169 179.799 177.584 0.076 0.000 1.175 815 A CA 1.425 53.482 52.037 0.032 0.000 0.627 815 A CB -0.807 18.191 19.000 -0.004 0.000 0.815 815 A HN 0.568 nan 8.150 nan 0.000 0.443 816 H N -0.081 119.014 119.070 0.042 0.000 2.326 816 H HA -0.052 4.506 4.556 0.003 0.000 0.301 816 H C 2.039 177.433 175.328 0.111 0.000 1.081 816 H CA 2.120 58.206 56.048 0.063 0.000 1.334 816 H CB -0.255 29.544 29.762 0.062 0.000 1.385 816 H HN 0.480 nan 8.280 nan 0.000 0.504 817 M N 0.045 119.844 119.600 0.331 0.000 2.080 817 M HA -0.202 4.279 4.480 0.003 0.000 0.260 817 M C 2.701 179.196 176.300 0.325 0.000 1.068 817 M CA 1.475 56.985 55.300 0.349 0.000 1.109 817 M CB -0.293 32.484 32.600 0.294 0.000 1.342 817 M HN 0.186 nan 8.290 nan 0.000 0.405 818 L N -0.392 120.949 121.223 0.197 0.000 2.093 818 L HA -0.124 4.218 4.340 0.003 0.000 0.208 818 L C 2.865 179.790 176.870 0.092 0.000 1.085 818 L CA 0.986 55.906 54.840 0.132 0.000 0.755 818 L CB -0.915 41.191 42.059 0.078 0.000 0.904 818 L HN 0.302 nan 8.230 nan 0.000 0.435 819 A N -0.780 122.060 122.820 0.033 0.000 1.933 819 A HA -0.269 4.053 4.320 0.003 0.000 0.218 819 A C 2.501 180.061 177.584 -0.040 0.000 1.175 819 A CA 1.746 53.759 52.037 -0.040 0.000 0.628 819 A CB -1.212 17.713 19.000 -0.125 0.000 0.814 819 A HN 0.582 nan 8.150 nan 0.000 0.444 820 C N -1.830 117.475 119.300 0.008 0.000 2.432 820 C HA -0.142 4.320 4.460 0.003 0.000 0.277 820 C C 2.444 177.448 174.990 0.023 0.000 1.249 820 C CA 1.344 60.396 59.018 0.056 0.000 1.725 820 C CB -1.400 26.476 27.740 0.227 0.000 2.028 820 C HN 0.691 nan 8.230 nan 0.000 0.477 821 Y N 1.830 122.030 120.300 -0.166 0.000 2.181 821 Y HA -0.136 4.415 4.550 0.003 0.000 0.288 821 Y C 2.646 178.400 175.900 -0.242 0.000 1.146 821 Y CA 2.456 60.279 58.100 -0.462 0.000 1.164 821 Y CB -0.621 37.395 38.460 -0.739 0.000 0.982 821 Y HN 0.304 nan 8.280 nan 0.000 0.515 822 R N 1.621 122.063 120.500 -0.097 0.000 2.080 822 R HA -0.192 4.150 4.340 0.003 0.000 0.236 822 R C 2.086 178.288 176.300 -0.163 0.000 1.137 822 R CA 2.560 58.591 56.100 -0.116 0.000 0.943 822 R CB -0.672 29.610 30.300 -0.031 0.000 0.846 822 R HN 0.533 nan 8.270 nan 0.000 0.431 823 K N -1.049 119.277 120.400 -0.124 0.000 2.525 823 K HA 0.049 4.371 4.320 0.003 0.000 0.192 823 K C 0.557 177.085 176.600 -0.119 0.000 1.029 823 K CA 1.229 57.452 56.287 -0.107 0.000 1.029 823 K CB 0.179 32.631 32.500 -0.080 0.000 0.814 823 K HN 0.170 nan 8.250 nan 0.000 0.503 824 N N -0.448 118.149 118.700 -0.171 0.000 2.380 824 N HA 0.076 4.817 4.740 0.003 0.000 0.227 824 N C 0.944 176.319 175.510 -0.226 0.000 1.139 824 N CA 0.340 53.299 53.050 -0.151 0.000 0.843 824 N CB 0.541 38.983 38.487 -0.075 0.000 1.327 824 N HN 0.194 nan 8.380 nan 0.000 0.470 825 C N 0.925 119.959 119.300 -0.444 0.000 2.378 825 C HA 0.507 4.968 4.460 0.003 0.000 0.389 825 C C 1.299 175.971 174.990 -0.530 0.000 1.394 825 C CA -0.623 58.075 59.018 -0.533 0.000 2.275 825 C CB -0.557 26.675 27.740 -0.847 0.000 2.567 825 C HN 0.323 nan 8.230 nan 0.000 0.556 826 A N 2.640 125.041 122.820 -0.699 0.000 2.546 826 A HA 0.404 4.726 4.320 0.003 0.000 0.243 826 A C 0.705 178.169 177.584 -0.199 0.000 1.063 826 A CA 0.496 52.303 52.037 -0.383 0.000 0.757 826 A CB 0.004 18.837 19.000 -0.278 0.000 0.991 826 A HN 0.751 nan 8.150 nan 0.000 0.503 827 S N 3.758 119.386 115.700 -0.120 0.000 2.579 827 S HA 0.398 4.869 4.470 0.003 0.000 0.275 827 S C -2.079 172.481 174.600 -0.066 0.000 1.345 827 S CA -0.898 57.256 58.200 -0.078 0.000 1.031 827 S CB -0.189 62.982 63.200 -0.047 0.000 0.892 827 S HN 0.723 nan 8.310 nan 0.000 0.529 828 P HA 0.112 nan 4.420 nan 0.000 0.261 828 P C -0.380 176.901 177.300 -0.032 0.000 1.183 828 P CA 0.118 63.192 63.100 -0.044 0.000 0.761 828 P CB 0.317 31.995 31.700 -0.037 0.000 0.785 829 S N 1.629 117.312 115.700 -0.027 0.000 2.618 829 S HA 0.725 5.197 4.470 0.003 0.000 0.277 829 S C -0.388 174.205 174.600 -0.011 0.000 1.138 829 S CA -0.905 57.284 58.200 -0.017 0.000 0.844 829 S CB 1.419 64.611 63.200 -0.014 0.000 1.127 829 S HN 0.602 nan 8.310 nan 0.000 0.474 830 A N 0.699 123.515 122.820 -0.008 0.000 2.507 830 A HA 0.601 4.922 4.320 0.003 0.000 0.235 830 A C 1.462 179.055 177.584 0.014 0.000 1.070 830 A CA 0.044 52.079 52.037 -0.002 0.000 0.768 830 A CB -0.623 18.373 19.000 -0.006 0.000 1.011 830 A HN 1.843 nan 8.150 nan 0.000 0.502 831 A N 1.176 124.008 122.820 0.019 0.000 2.119 831 A HA 0.045 4.367 4.320 0.003 0.000 0.217 831 A C 2.087 179.733 177.584 0.103 0.000 1.153 831 A CA 1.678 53.743 52.037 0.047 0.000 0.692 831 A CB -0.747 18.263 19.000 0.017 0.000 0.799 831 A HN 1.634 nan 8.150 nan 0.000 0.458 832 S N -0.907 114.824 115.700 0.052 0.000 2.607 832 S HA 0.083 4.555 4.470 0.003 0.000 0.224 832 S C 0.587 175.158 174.600 -0.048 0.000 0.969 832 S CA -0.099 58.119 58.200 0.031 0.000 0.927 832 S CB -0.158 63.040 63.200 -0.004 0.000 0.772 832 S HN 0.651 nan 8.310 nan 0.000 0.533 833 Q N 0.593 120.379 119.800 -0.023 0.000 2.306 833 Q HA 0.621 4.962 4.340 0.003 0.000 0.265 833 Q C -1.274 174.680 176.000 -0.077 0.000 1.022 833 Q CA -0.733 55.013 55.803 -0.094 0.000 0.853 833 Q CB 2.349 31.061 28.738 -0.043 0.000 1.327 833 Q HN 0.447 nan 8.270 nan 0.000 0.449 834 L N 2.728 123.833 121.223 -0.196 0.000 2.305 834 L HA 0.466 4.808 4.340 0.003 0.000 0.284 834 L C -1.296 175.563 176.870 -0.018 0.000 1.013 834 L CA -0.679 54.112 54.840 -0.081 0.000 0.819 834 L CB 0.674 42.602 42.059 -0.219 0.000 1.227 834 L HN 0.476 nan 8.230 nan 0.000 0.417 835 I N 6.452 127.049 120.570 0.044 0.000 2.331 835 I HA 0.375 4.547 4.170 0.003 0.000 0.292 835 I C -0.286 175.871 176.117 0.067 0.000 0.998 835 I CA -0.421 60.915 61.300 0.059 0.000 1.267 835 I CB 1.273 39.329 38.000 0.093 0.000 1.386 835 I HN 0.614 nan 8.210 nan 0.000 0.476 836 L N 7.652 128.887 121.223 0.019 0.000 2.381 836 L HA 0.494 4.835 4.340 0.003 0.000 0.274 836 L C -2.260 174.527 176.870 -0.139 0.000 0.988 836 L CA -1.775 53.032 54.840 -0.055 0.000 0.824 836 L CB 2.199 44.237 42.059 -0.034 0.000 1.263 836 L HN 0.340 nan 8.230 nan 0.000 0.410 837 P HA 0.056 nan 4.420 nan 0.000 0.272 837 P C -0.145 177.053 177.300 -0.171 0.000 1.223 837 P CA -0.261 62.573 63.100 -0.443 0.000 0.784 837 P CB 1.327 32.494 31.700 -0.888 0.000 0.923 838 D N 1.019 121.365 120.400 -0.089 0.000 2.133 838 D HA -0.161 4.481 4.640 0.003 0.000 0.195 838 D C 1.928 178.203 176.300 -0.041 0.000 0.997 838 D CA 2.194 56.167 54.000 -0.045 0.000 0.840 838 D CB -0.348 40.443 40.800 -0.015 0.000 0.947 838 D HN 0.496 nan 8.370 nan 0.000 0.452 839 S N 0.202 115.884 115.700 -0.030 0.000 2.419 839 S HA -0.145 4.327 4.470 0.003 0.000 0.235 839 S C 1.811 176.407 174.600 -0.007 0.000 1.019 839 S CA 0.918 59.118 58.200 -0.000 0.000 0.982 839 S CB -0.269 62.951 63.200 0.033 0.000 0.789 839 S HN 0.275 nan 8.310 nan 0.000 0.490 840 M N 0.053 119.632 119.600 -0.036 0.000 2.405 840 M HA 0.307 4.788 4.480 0.003 0.000 0.292 840 M C 1.340 177.609 176.300 -0.051 0.000 1.111 840 M CA -0.206 55.079 55.300 -0.024 0.000 0.979 840 M CB 0.216 32.815 32.600 -0.003 0.000 1.426 840 M HN 0.165 nan 8.290 nan 0.000 0.509 841 K N 0.968 121.326 120.400 -0.070 0.000 2.049 841 K HA -0.169 4.152 4.320 0.003 0.000 0.219 841 K C 1.365 177.894 176.600 -0.118 0.000 1.056 841 K CA 1.430 57.671 56.287 -0.078 0.000 0.946 841 K CB -0.218 32.232 32.500 -0.083 0.000 0.723 841 K HN 0.174 nan 8.250 nan 0.000 0.453 842 V N 1.468 121.250 119.914 -0.221 0.000 3.421 842 V HA -0.003 4.119 4.120 0.003 0.000 0.316 842 V C 1.453 177.272 176.094 -0.458 0.000 1.347 842 V CA 0.121 62.156 62.300 -0.443 0.000 1.183 842 V CB 0.036 31.430 31.823 -0.715 0.000 1.092 842 V HN 0.251 nan 8.190 nan 0.000 0.433 843 L N 1.285 122.410 121.223 -0.164 0.000 2.056 843 L HA -0.010 4.332 4.340 0.003 0.000 0.207 843 L C -0.179 176.718 176.870 0.045 0.000 1.078 843 L CA 2.232 57.060 54.840 -0.019 0.000 0.749 843 L CB -0.816 41.284 42.059 0.068 0.000 0.901 843 L HN 0.291 nan 8.230 nan 0.000 0.433 844 P HA -0.153 nan 4.420 nan 0.000 0.214 844 P C 1.935 179.397 177.300 0.271 0.000 1.163 844 P CA 1.814 65.131 63.100 0.361 0.000 0.883 844 P CB -0.065 31.870 31.700 0.392 0.000 0.788 845 V N -1.399 118.508 119.914 -0.011 0.000 2.250 845 V HA -0.305 3.816 4.120 0.003 0.000 0.250 845 V C 2.301 178.371 176.094 -0.039 0.000 1.060 845 V CA 2.039 64.153 62.300 -0.309 0.000 1.030 845 V CB -1.839 29.506 31.823 -0.795 0.000 0.643 845 V HN 0.030 nan 8.190 nan 0.000 0.445 846 Y N -0.906 119.314 120.300 -0.134 0.000 2.242 846 Y HA -0.165 4.387 4.550 0.003 0.000 0.291 846 Y C 2.423 178.215 175.900 -0.179 0.000 1.137 846 Y CA 1.358 59.393 58.100 -0.108 0.000 1.181 846 Y CB -1.002 37.401 38.460 -0.094 0.000 0.989 846 Y HN 0.268 nan 8.280 nan 0.000 0.527 847 M N 0.576 120.162 119.600 -0.025 0.000 2.117 847 M HA -0.214 4.268 4.480 0.003 0.000 0.262 847 M C 1.853 177.880 176.300 -0.455 0.000 1.065 847 M CA 1.641 56.809 55.300 -0.220 0.000 1.114 847 M CB -0.906 31.619 32.600 -0.124 0.000 1.361 847 M HN 0.281 nan 8.290 nan 0.000 0.408 848 N N -0.867 117.474 118.700 -0.598 0.000 2.166 848 N HA -0.165 4.577 4.740 0.003 0.000 0.186 848 N C 1.489 176.849 175.510 -0.250 0.000 1.019 848 N CA 1.668 54.320 53.050 -0.663 0.000 0.856 848 N CB -0.057 38.185 38.487 -0.408 0.000 0.993 848 N HN 0.480 nan 8.380 nan 0.000 0.426 849 C N 0.407 119.651 119.300 -0.093 0.000 2.425 849 C HA -0.072 4.390 4.460 0.003 0.000 0.277 849 C C 2.664 177.704 174.990 0.084 0.000 1.280 849 C CA 0.044 59.085 59.018 0.038 0.000 1.744 849 C CB -1.241 26.605 27.740 0.177 0.000 1.989 849 C HN 0.507 nan 8.230 nan 0.000 0.491 850 L N 0.684 121.868 121.223 -0.065 0.000 2.056 850 L HA -0.028 4.313 4.340 0.003 0.000 0.207 850 L C 2.259 179.139 176.870 0.017 0.000 1.078 850 L CA 1.807 56.599 54.840 -0.081 0.000 0.749 850 L CB -0.686 41.136 42.059 -0.396 0.000 0.901 850 L HN 0.294 nan 8.230 nan 0.000 0.433 851 L N -0.830 120.330 121.223 -0.105 0.000 2.141 851 L HA -0.176 4.166 4.340 0.003 0.000 0.209 851 L C 2.456 179.300 176.870 -0.043 0.000 1.094 851 L CA 1.137 55.923 54.840 -0.090 0.000 0.763 851 L CB -0.546 41.399 42.059 -0.190 0.000 0.908 851 L HN 0.244 nan 8.230 nan 0.000 0.437 852 K N -0.144 120.230 120.400 -0.043 0.000 2.243 852 K HA -0.057 4.264 4.320 0.003 0.000 0.201 852 K C 0.735 177.322 176.600 -0.022 0.000 1.051 852 K CA -0.114 56.150 56.287 -0.039 0.000 0.970 852 K CB -0.167 32.298 32.500 -0.059 0.000 0.755 852 K HN 0.178 nan 8.250 nan 0.000 0.465 853 N N 1.052 119.777 118.700 0.042 0.000 2.294 853 N HA -0.151 4.591 4.740 0.003 0.000 0.248 853 N C 1.239 176.768 175.510 0.033 0.000 1.242 853 N CA 0.073 53.167 53.050 0.072 0.000 0.848 853 N CB 0.630 39.310 38.487 0.322 0.000 1.084 853 N HN 0.231 nan 8.380 nan 0.000 0.457 854 C N 1.429 120.726 119.300 -0.004 0.000 2.411 854 C HA -0.064 4.397 4.460 0.003 0.000 0.279 854 C C 2.298 177.284 174.990 -0.005 0.000 1.288 854 C CA 0.431 59.447 59.018 -0.004 0.000 1.764 854 C CB -1.352 26.390 27.740 0.003 0.000 1.974 854 C HN 0.601 nan 8.230 nan 0.000 0.498 855 V N 1.362 121.241 119.914 -0.059 0.000 2.407 855 V HA -0.149 3.973 4.120 0.003 0.000 0.248 855 V C 2.466 178.406 176.094 -0.258 0.000 1.055 855 V CA 2.093 64.230 62.300 -0.271 0.000 1.049 855 V CB -0.533 30.814 31.823 -0.794 0.000 0.662 855 V HN 0.674 nan 8.190 nan 0.000 0.455 856 L N -1.253 119.903 121.223 -0.113 0.000 2.667 856 L HA 0.201 4.543 4.340 0.003 0.000 0.232 856 L C 1.030 177.885 176.870 -0.025 0.000 1.138 856 L CA -0.176 54.625 54.840 -0.066 0.000 0.921 856 L CB 0.304 42.370 42.059 0.011 0.000 1.180 856 L HN 0.267 nan 8.230 nan 0.000 0.487 857 L N -1.763 119.453 121.223 -0.012 0.000 2.674 857 L HA 0.512 4.853 4.340 0.003 0.000 0.182 857 L C 0.463 177.343 176.870 0.016 0.000 1.867 857 L CA 0.071 54.911 54.840 0.000 0.000 2.994 857 L CB 0.864 42.920 42.059 -0.006 0.000 2.945 857 L HN -0.081 nan 8.230 nan 0.000 0.729 858 S N -2.360 113.351 115.700 0.017 0.000 2.672 858 S HA 0.349 4.821 4.470 0.003 0.000 0.271 858 S C 0.324 174.935 174.600 0.019 0.000 1.171 858 S CA -0.501 57.714 58.200 0.025 0.000 0.817 858 S CB 1.587 64.798 63.200 0.019 0.000 1.150 858 S HN 0.374 nan 8.310 nan 0.000 0.478 859 R N 1.748 122.257 120.500 0.015 0.000 2.224 859 R HA -0.148 4.194 4.340 0.003 0.000 0.251 859 R C -1.809 174.493 176.300 0.004 0.000 1.123 859 R CA 2.157 58.260 56.100 0.005 0.000 0.944 859 R CB -1.827 28.472 30.300 -0.001 0.000 0.910 859 R HN 0.406 nan 8.270 nan 0.000 0.440 860 P HA -0.086 nan 4.420 nan 0.000 0.242 860 P C -0.541 176.763 177.300 0.007 0.000 1.116 860 P CA 0.936 64.039 63.100 0.004 0.000 0.954 860 P CB -0.019 31.683 31.700 0.003 0.000 0.908 861 E N 1.604 121.810 120.200 0.010 0.000 7.174 861 E HA -0.232 4.119 4.350 0.003 0.000 0.185 861 E C 0.390 177.002 176.600 0.020 0.000 1.447 861 E CA 0.217 56.627 56.400 0.017 0.000 2.477 861 E CB -0.716 28.995 29.700 0.019 0.000 1.696 861 E HN 0.377 nan 8.360 nan 0.000 0.481 862 I N -0.069 120.519 120.570 0.030 0.000 6.282 862 I HA -0.293 3.878 4.170 0.003 0.000 0.126 862 I C 0.895 177.034 176.117 0.037 0.000 1.399 862 I CA 1.209 62.532 61.300 0.039 0.000 2.516 862 I CB -0.799 37.220 38.000 0.032 0.000 2.632 862 I HN 0.547 nan 8.210 nan 0.000 0.293 863 S N 3.410 119.136 115.700 0.044 0.000 2.584 863 S HA 0.188 4.659 4.470 0.003 0.000 0.270 863 S C 1.248 175.863 174.600 0.025 0.000 1.346 863 S CA -0.027 58.194 58.200 0.036 0.000 1.018 863 S CB 1.485 64.719 63.200 0.056 0.000 0.899 863 S HN 0.619 nan 8.310 nan 0.000 0.542 864 T N 1.114 115.661 114.554 -0.012 0.000 2.788 864 T HA -0.105 4.247 4.350 0.003 0.000 0.268 864 T C 1.101 175.769 174.700 -0.053 0.000 1.044 864 T CA 1.634 63.673 62.100 -0.100 0.000 1.139 864 T CB -0.592 68.178 68.868 -0.164 0.000 0.867 864 T HN 0.662 nan 8.240 nan 0.000 0.454 865 D N 0.544 120.959 120.400 0.026 0.000 2.221 865 D HA -0.080 4.562 4.640 0.003 0.000 0.204 865 D C 2.208 178.531 176.300 0.039 0.000 0.982 865 D CA 0.892 54.894 54.000 0.003 0.000 0.857 865 D CB -0.143 40.652 40.800 -0.008 0.000 0.934 865 D HN 0.349 nan 8.370 nan 0.000 0.475 866 E N 0.454 120.698 120.200 0.073 0.000 2.112 866 E HA -0.004 4.347 4.350 0.003 0.000 0.190 866 E C 1.942 178.644 176.600 0.170 0.000 0.979 866 E CA 0.727 57.209 56.400 0.136 0.000 0.814 866 E CB 0.143 29.919 29.700 0.126 0.000 0.762 866 E HN 0.120 nan 8.360 nan 0.000 0.460 867 R N -0.024 120.563 120.500 0.145 0.000 2.066 867 R HA 0.021 4.363 4.340 0.003 0.000 0.232 867 R C 2.336 178.814 176.300 0.297 0.000 1.131 867 R CA 1.149 57.377 56.100 0.214 0.000 0.955 867 R CB -0.529 29.967 30.300 0.326 0.000 0.851 867 R HN 0.209 nan 8.270 nan 0.000 0.432 868 A N 0.760 123.752 122.820 0.286 0.000 1.908 868 A HA -0.234 4.088 4.320 0.003 0.000 0.218 868 A C 2.017 179.701 177.584 0.166 0.000 1.181 868 A CA 1.305 53.505 52.037 0.270 0.000 0.627 868 A CB -0.734 18.309 19.000 0.072 0.000 0.818 868 A HN 0.415 nan 8.150 nan 0.000 0.445 869 Y N 0.420 120.714 120.300 -0.010 0.000 2.114 869 Y HA -0.223 4.328 4.550 0.003 0.000 0.284 869 Y C 2.526 178.379 175.900 -0.077 0.000 1.143 869 Y CA 2.198 60.257 58.100 -0.067 0.000 1.135 869 Y CB -0.702 37.709 38.460 -0.081 0.000 0.980 869 Y HN 0.440 nan 8.280 nan 0.000 0.499 870 Q N -0.253 119.509 119.800 -0.064 0.000 2.124 870 Q HA -0.235 4.107 4.340 0.003 0.000 0.202 870 Q C 2.461 178.388 176.000 -0.121 0.000 0.977 870 Q CA 1.620 57.321 55.803 -0.169 0.000 0.850 870 Q CB -0.297 28.491 28.738 0.082 0.000 0.901 870 Q HN 0.444 nan 8.270 nan 0.000 0.429 871 R N 0.717 121.157 120.500 -0.100 0.000 2.127 871 R HA -0.197 4.144 4.340 0.003 0.000 0.238 871 R C 2.066 178.391 176.300 0.042 0.000 1.134 871 R CA 1.502 57.524 56.100 -0.129 0.000 0.975 871 R CB 0.008 30.118 30.300 -0.316 0.000 0.865 871 R HN 0.315 nan 8.270 nan 0.000 0.447 872 Q N 0.289 120.048 119.800 -0.068 0.000 2.062 872 Q HA -0.072 4.270 4.340 0.003 0.000 0.196 872 Q C 2.320 178.208 176.000 -0.186 0.000 0.967 872 Q CA 1.062 56.811 55.803 -0.091 0.000 0.832 872 Q CB 0.042 28.727 28.738 -0.089 0.000 0.899 872 Q HN 0.390 nan 8.270 nan 0.000 0.442 873 L N 0.071 121.068 121.223 -0.377 0.000 2.043 873 L HA -0.226 4.115 4.340 0.003 0.000 0.212 873 L C 2.372 179.006 176.870 -0.393 0.000 1.075 873 L CA 0.947 55.495 54.840 -0.486 0.000 0.752 873 L CB -0.485 41.081 42.059 -0.821 0.000 0.891 873 L HN 0.137 nan 8.230 nan 0.000 0.432 874 V N -1.017 118.681 119.914 -0.361 0.000 2.453 874 V HA -0.271 3.851 4.120 0.003 0.000 0.247 874 V C 2.398 178.382 176.094 -0.183 0.000 1.048 874 V CA 1.362 63.461 62.300 -0.334 0.000 1.049 874 V CB -0.338 31.291 31.823 -0.323 0.000 0.672 874 V HN 0.349 nan 8.190 nan 0.000 0.457 875 M N -0.121 119.432 119.600 -0.079 0.000 2.260 875 M HA -0.164 4.318 4.480 0.003 0.000 0.261 875 M C 1.926 178.208 176.300 -0.031 0.000 1.066 875 M CA 1.865 57.153 55.300 -0.020 0.000 1.082 875 M CB -0.803 31.818 32.600 0.035 0.000 1.388 875 M HN 0.287 nan 8.290 nan 0.000 0.419 876 T N -0.520 113.991 114.554 -0.073 0.000 3.037 876 T HA 0.235 4.586 4.350 0.003 0.000 0.252 876 T C 0.657 175.322 174.700 -0.057 0.000 1.073 876 T CA -0.089 61.976 62.100 -0.059 0.000 1.091 876 T CB 0.016 68.837 68.868 -0.079 0.000 0.935 876 T HN 0.238 nan 8.240 nan 0.000 0.488 877 M N 1.594 121.138 119.600 -0.092 0.000 2.246 877 M HA 0.228 4.710 4.480 0.003 0.000 0.327 877 M C 1.120 177.396 176.300 -0.039 0.000 1.090 877 M CA 0.060 55.313 55.300 -0.078 0.000 1.087 877 M CB 0.243 32.764 32.600 -0.131 0.000 1.587 877 M HN 0.213 nan 8.290 nan 0.000 0.444 878 G N 1.009 109.797 108.800 -0.020 0.000 2.557 878 G HA2 0.435 4.397 3.960 0.003 0.000 0.302 878 G HA3 0.435 4.397 3.960 0.003 0.000 0.302 878 G C 0.691 175.591 174.900 -0.001 0.000 1.311 878 G CA -0.877 44.221 45.100 -0.002 0.000 1.030 878 G HN 0.586 nan 8.290 nan 0.000 0.509 879 V N 0.776 120.695 119.914 0.008 0.000 2.427 879 V HA -0.139 3.983 4.120 0.003 0.000 0.248 879 V C 3.209 179.313 176.094 0.016 0.000 1.051 879 V CA 2.361 64.669 62.300 0.013 0.000 1.048 879 V CB -0.933 30.904 31.823 0.023 0.000 0.666 879 V HN 0.797 nan 8.190 nan 0.000 0.456 880 A N 0.141 122.969 122.820 0.013 0.000 1.883 880 A HA -0.262 4.059 4.320 0.003 0.000 0.217 880 A C 2.060 179.662 177.584 0.029 0.000 1.186 880 A CA 2.069 54.117 52.037 0.018 0.000 0.624 880 A CB -0.628 18.379 19.000 0.010 0.000 0.822 880 A HN 0.570 nan 8.150 nan 0.000 0.444 881 D N 0.249 120.662 120.400 0.023 0.000 2.097 881 D HA -0.143 4.498 4.640 0.003 0.000 0.195 881 D C 2.464 178.792 176.300 0.048 0.000 0.989 881 D CA 1.978 55.993 54.000 0.026 0.000 0.827 881 D CB -0.387 40.409 40.800 -0.006 0.000 0.966 881 D HN 0.606 nan 8.370 nan 0.000 0.456 882 S N 0.658 116.387 115.700 0.049 0.000 2.383 882 S HA -0.184 4.288 4.470 0.003 0.000 0.227 882 S C 1.929 176.644 174.600 0.192 0.000 1.026 882 S CA 0.769 59.061 58.200 0.153 0.000 0.981 882 S CB -0.236 63.047 63.200 0.137 0.000 0.818 882 S HN 0.098 nan 8.310 nan 0.000 0.472 883 Q N 1.177 121.013 119.800 0.060 0.000 2.030 883 Q HA -0.107 4.234 4.340 0.003 0.000 0.204 883 Q C 2.190 178.195 176.000 0.009 0.000 0.986 883 Q CA 1.659 57.438 55.803 -0.041 0.000 0.843 883 Q CB -0.631 28.092 28.738 -0.025 0.000 0.904 883 Q HN 0.575 nan 8.270 nan 0.000 0.420 884 L N 0.346 121.607 121.223 0.063 0.000 2.093 884 L HA -0.099 4.243 4.340 0.003 0.000 0.208 884 L C 2.291 179.196 176.870 0.060 0.000 1.085 884 L CA 1.556 56.441 54.840 0.076 0.000 0.755 884 L CB -0.874 41.232 42.059 0.078 0.000 0.904 884 L HN 0.242 nan 8.230 nan 0.000 0.435 885 F N -0.615 119.271 119.950 -0.107 0.000 2.134 885 F HA -0.220 4.308 4.527 0.003 0.000 0.299 885 F C 1.834 177.424 175.800 -0.349 0.000 1.097 885 F CA 1.700 59.547 58.000 -0.255 0.000 1.264 885 F CB -0.332 38.410 39.000 -0.430 0.000 1.001 885 F HN 0.091 nan 8.300 nan 0.000 0.479 886 F N -2.482 117.437 119.950 -0.053 0.000 2.664 886 F HA 0.030 4.559 4.527 0.003 0.000 0.296 886 F C 0.108 175.853 175.800 -0.092 0.000 1.125 886 F CA 0.389 58.303 58.000 -0.145 0.000 1.444 886 F CB -0.112 38.824 39.000 -0.107 0.000 1.114 886 F HN -0.137 nan 8.300 nan 0.000 0.576 887 Y N 1.486 121.739 120.300 -0.077 0.000 2.681 887 Y HA 0.422 4.973 4.550 0.003 0.000 0.347 887 Y C -2.701 173.186 175.900 -0.022 0.000 1.029 887 Y CA -3.761 54.320 58.100 -0.032 0.000 1.279 887 Y CB 0.362 38.839 38.460 0.027 0.000 1.096 887 Y HN -0.180 nan 8.280 nan 0.000 0.580 888 P HA -0.078 nan 4.420 nan 0.000 0.269 888 P C -0.973 176.209 177.300 -0.197 0.000 1.211 888 P CA 0.236 63.221 63.100 -0.191 0.000 0.781 888 P CB 0.556 32.157 31.700 -0.165 0.000 0.877 889 Q N 1.508 121.277 119.800 -0.051 0.000 2.368 889 Q HA 0.408 4.750 4.340 0.003 0.000 0.256 889 Q C -1.465 174.546 176.000 0.019 0.000 0.980 889 Q CA -0.726 55.084 55.803 0.012 0.000 0.887 889 Q CB 0.302 29.076 28.738 0.060 0.000 1.221 889 Q HN 0.217 nan 8.270 nan 0.000 0.458 890 L N 6.135 127.369 121.223 0.018 0.000 2.277 890 L HA 0.388 4.729 4.340 0.003 0.000 0.284 890 L C -1.688 175.282 176.870 0.166 0.000 1.028 890 L CA -0.392 54.494 54.840 0.077 0.000 0.835 890 L CB 0.997 43.053 42.059 -0.005 0.000 1.215 890 L HN 0.581 nan 8.230 nan 0.000 0.425 891 L N 7.567 128.912 121.223 0.203 0.000 2.307 891 L HA 0.579 4.921 4.340 0.003 0.000 0.284 891 L C -2.262 174.700 176.870 0.153 0.000 1.023 891 L CA -1.609 53.326 54.840 0.159 0.000 0.810 891 L CB 1.539 43.653 42.059 0.093 0.000 1.231 891 L HN 0.455 nan 8.230 nan 0.000 0.423 892 P HA 0.217 nan 4.420 nan 0.000 0.287 892 P C 0.259 177.304 177.300 -0.424 0.000 1.281 892 P CA -0.346 62.475 63.100 -0.465 0.000 0.781 892 P CB 1.916 33.384 31.700 -0.387 0.000 0.903 893 I N 3.360 123.673 120.570 -0.428 0.000 3.526 893 I HA -0.077 4.095 4.170 0.003 0.000 0.294 893 I C 2.423 178.342 176.117 -0.330 0.000 1.229 893 I CA 0.849 61.992 61.300 -0.262 0.000 1.408 893 I CB -1.458 36.491 38.000 -0.086 0.000 1.127 893 I HN 0.516 nan 8.210 nan 0.000 0.439 894 H N -0.295 118.599 119.070 -0.294 0.000 2.423 894 H HA -0.048 4.509 4.556 0.003 0.000 0.297 894 H C 1.632 176.834 175.328 -0.209 0.000 1.075 894 H CA 1.570 57.473 56.048 -0.242 0.000 1.342 894 H CB -0.842 28.811 29.762 -0.181 0.000 1.395 894 H HN 0.180 nan 8.280 nan 0.000 0.530 895 T N 0.963 115.068 114.554 -0.748 0.000 3.219 895 T HA 0.182 4.534 4.350 0.003 0.000 0.249 895 T C 0.678 175.232 174.700 -0.244 0.000 1.099 895 T CA -0.333 61.528 62.100 -0.397 0.000 0.988 895 T CB -0.793 67.821 68.868 -0.424 0.000 0.999 895 T HN 0.165 nan 8.240 nan 0.000 0.550 896 L N 2.241 123.307 121.223 -0.261 0.000 2.490 896 L HA 0.155 4.497 4.340 0.003 0.000 0.274 896 L C 0.519 177.370 176.870 -0.033 0.000 1.201 896 L CA -0.110 54.638 54.840 -0.154 0.000 0.869 896 L CB 0.457 42.404 42.059 -0.186 0.000 1.123 896 L HN 0.266 nan 8.230 nan 0.000 0.484 897 D N 3.292 123.698 120.400 0.010 0.000 2.312 897 D HA 0.150 4.791 4.640 0.003 0.000 0.252 897 D C -0.369 176.002 176.300 0.118 0.000 1.150 897 D CA -0.386 53.649 54.000 0.059 0.000 0.870 897 D CB 1.351 42.171 40.800 0.032 0.000 1.153 897 D HN 0.098 nan 8.370 nan 0.000 0.457 898 V N 3.615 123.633 119.914 0.173 0.000 2.924 898 V HA 0.001 4.123 4.120 0.003 0.000 0.305 898 V C 0.846 176.987 176.094 0.079 0.000 1.073 898 V CA -0.825 61.581 62.300 0.177 0.000 1.098 898 V CB 0.560 32.432 31.823 0.081 0.000 1.000 898 V HN 0.652 nan 8.190 nan 0.000 0.484 899 K N 3.625 124.063 120.400 0.063 0.000 4.834 899 K HA -0.235 4.087 4.320 0.003 0.000 0.294 899 K C 0.362 176.979 176.600 0.028 0.000 0.659 899 K CA 1.298 57.606 56.287 0.035 0.000 0.760 899 K CB -1.183 31.323 32.500 0.010 0.000 2.111 899 K HN 1.552 nan 8.250 nan 0.000 0.355 900 S N -0.355 115.365 115.700 0.032 0.000 4.687 900 S HA -0.030 4.441 4.470 0.003 0.000 0.039 900 S C 0.154 174.771 174.600 0.028 0.000 0.861 900 S CA -0.155 58.060 58.200 0.026 0.000 0.899 900 S CB -1.334 61.880 63.200 0.023 0.000 0.359 900 S HN 0.401 nan 8.310 nan 0.000 0.802 901 T N 2.094 116.667 114.554 0.032 0.000 2.771 901 T HA 0.700 5.052 4.350 0.003 0.000 0.290 901 T C 0.571 175.285 174.700 0.024 0.000 1.005 901 T CA -0.072 62.045 62.100 0.029 0.000 0.944 901 T CB 1.011 69.900 68.868 0.036 0.000 1.147 901 T HN 0.646 nan 8.240 nan 0.000 0.534 902 M N 1.312 120.925 119.600 0.021 0.000 5.792 902 M HA 0.267 4.749 4.480 0.003 0.000 0.684 902 M C -1.650 174.662 176.300 0.021 0.000 2.450 902 M CA -0.217 55.095 55.300 0.021 0.000 0.241 902 M CB -0.081 32.530 32.600 0.019 0.000 1.440 902 M HN 0.477 nan 8.290 nan 0.000 0.727 903 L N 1.972 123.207 121.223 0.020 0.000 2.626 903 L HA -0.052 4.290 4.340 0.003 0.000 0.571 903 L C -2.309 174.571 176.870 0.016 0.000 1.001 903 L CA 0.339 55.192 54.840 0.021 0.000 1.280 903 L CB -0.344 41.731 42.059 0.027 0.000 1.779 903 L HN 0.425 nan 8.230 nan 0.000 0.887 904 P HA 0.358 nan 4.420 nan 0.000 0.272 904 P C -0.408 176.902 177.300 0.016 0.000 1.223 904 P CA 0.128 63.226 63.100 -0.002 0.000 0.784 904 P CB 0.713 32.393 31.700 -0.034 0.000 0.923 905 A N 2.046 124.875 122.820 0.016 0.000 2.540 905 A HA 0.408 4.729 4.320 0.003 0.000 0.239 905 A C 0.824 178.439 177.584 0.051 0.000 1.061 905 A CA 0.080 52.137 52.037 0.033 0.000 0.758 905 A CB -0.580 18.437 19.000 0.029 0.000 0.991 905 A HN 0.718 nan 8.150 nan 0.000 0.502 906 A N 2.085 124.947 122.820 0.069 0.000 2.366 906 A HA 0.537 4.859 4.320 0.003 0.000 0.249 906 A C 0.036 177.683 177.584 0.104 0.000 1.084 906 A CA -0.139 51.954 52.037 0.094 0.000 0.794 906 A CB 0.317 19.384 19.000 0.110 0.000 1.034 906 A HN 1.228 nan 8.150 nan 0.000 0.491 907 V N 2.513 122.498 119.914 0.119 0.000 2.656 907 V HA 0.312 4.434 4.120 0.003 0.000 0.307 907 V C 0.504 176.651 176.094 0.089 0.000 1.051 907 V CA -0.801 61.568 62.300 0.115 0.000 0.893 907 V CB 1.782 33.702 31.823 0.162 0.000 0.999 907 V HN 1.036 nan 8.190 nan 0.000 0.426 908 R N 1.657 122.214 120.500 0.095 0.000 2.598 908 R HA -0.068 4.274 4.340 0.003 0.000 0.266 908 R C -0.131 176.160 176.300 -0.015 0.000 0.977 908 R CA 0.156 56.322 56.100 0.109 0.000 1.097 908 R CB 0.059 30.417 30.300 0.097 0.000 0.911 908 R HN 0.709 nan 8.270 nan 0.000 0.419 909 C N 2.986 122.235 119.300 -0.085 0.000 2.518 909 C HA 0.219 4.680 4.460 0.003 0.000 0.456 909 C C 0.534 175.428 174.990 -0.160 0.000 1.016 909 C CA 0.156 59.020 59.018 -0.256 0.000 1.210 909 C CB -1.624 25.794 27.740 -0.537 0.000 1.542 909 C HN 0.560 nan 8.230 nan 0.000 0.545 910 S N 0.555 116.163 115.700 -0.153 0.000 2.550 910 S HA 0.283 4.755 4.470 0.003 0.000 0.270 910 S C 0.785 175.275 174.600 -0.185 0.000 1.145 910 S CA -0.535 57.591 58.200 -0.125 0.000 0.852 910 S CB 0.994 64.165 63.200 -0.049 0.000 1.119 910 S HN 0.748 nan 8.310 nan 0.000 0.465 911 E N 1.697 121.799 120.200 -0.163 0.000 2.150 911 E HA -0.096 4.256 4.350 0.003 0.000 0.193 911 E C 1.614 178.098 176.600 -0.193 0.000 0.985 911 E CA 1.636 57.913 56.400 -0.203 0.000 0.814 911 E CB -0.435 29.193 29.700 -0.120 0.000 0.752 911 E HN 0.613 nan 8.360 nan 0.000 0.466 912 S N 0.946 116.576 115.700 -0.117 0.000 2.423 912 S HA -0.129 4.343 4.470 0.003 0.000 0.238 912 S C 1.766 176.314 174.600 -0.087 0.000 1.028 912 S CA 0.772 58.926 58.200 -0.077 0.000 1.000 912 S CB -0.258 62.920 63.200 -0.036 0.000 0.797 912 S HN 0.164 nan 8.310 nan 0.000 0.487 913 R N 0.717 121.132 120.500 -0.141 0.000 2.388 913 R HA 0.458 4.800 4.340 0.003 0.000 0.247 913 R C -0.158 175.977 176.300 -0.276 0.000 0.931 913 R CA -0.074 55.957 56.100 -0.116 0.000 1.082 913 R CB -0.461 29.800 30.300 -0.066 0.000 1.135 913 R HN 0.468 nan 8.270 nan 0.000 0.525 914 L N 0.200 121.161 121.223 -0.436 0.000 2.334 914 L HA 0.371 4.712 4.340 0.003 0.000 0.275 914 L C 0.315 177.089 176.870 -0.159 0.000 1.036 914 L CA -0.536 53.865 54.840 -0.731 0.000 0.807 914 L CB 1.806 43.231 42.059 -1.056 0.000 1.231 914 L HN -0.110 nan 8.230 nan 0.000 0.438 915 S N 0.497 116.287 115.700 0.151 0.000 2.521 915 S HA 0.237 4.709 4.470 0.003 0.000 0.295 915 S C 0.594 175.347 174.600 0.254 0.000 1.098 915 S CA -0.646 57.668 58.200 0.190 0.000 0.999 915 S CB 1.539 64.835 63.200 0.161 0.000 1.034 915 S HN 0.724 nan 8.310 nan 0.000 0.483 916 E N 2.297 122.581 120.200 0.139 0.000 2.267 916 E HA -0.173 4.178 4.350 0.003 0.000 0.197 916 E C 0.780 177.351 176.600 -0.049 0.000 0.998 916 E CA 1.266 57.699 56.400 0.055 0.000 0.830 916 E CB 0.115 29.802 29.700 -0.021 0.000 0.751 916 E HN 0.725 nan 8.360 nan 0.000 0.491 917 E N -0.006 120.158 120.200 -0.059 0.000 2.474 917 E HA 0.078 4.429 4.350 0.003 0.000 0.194 917 E C 0.750 177.173 176.600 -0.296 0.000 1.041 917 E CA -0.032 56.280 56.400 -0.147 0.000 0.874 917 E CB 0.672 30.299 29.700 -0.121 0.000 0.914 917 E HN 0.068 nan 8.360 nan 0.000 0.498 918 G N 0.691 109.322 108.800 -0.282 0.000 2.511 918 G HA2 0.647 4.609 3.960 0.003 0.000 0.316 918 G HA3 0.647 4.609 3.960 0.003 0.000 0.316 918 G C -0.619 174.363 174.900 0.136 0.000 1.210 918 G CA -0.593 44.136 45.100 -0.618 0.000 0.969 918 G HN 0.007 nan 8.290 nan 0.000 0.492 919 I N 0.065 120.744 120.570 0.181 0.000 2.512 919 I HA 0.373 4.545 4.170 0.003 0.000 0.287 919 I C -1.241 174.975 176.117 0.165 0.000 1.069 919 I CA -0.350 61.142 61.300 0.320 0.000 1.056 919 I CB 1.941 40.049 38.000 0.181 0.000 1.229 919 I HN 0.202 nan 8.210 nan 0.000 0.429 920 F N 5.471 125.673 119.950 0.420 0.000 2.594 920 F HA 0.622 5.151 4.527 0.003 0.000 0.335 920 F C -0.292 175.680 175.800 0.288 0.000 1.058 920 F CA -0.961 57.219 58.000 0.300 0.000 0.981 920 F CB 1.551 40.689 39.000 0.230 0.000 1.289 920 F HN 0.161 nan 8.300 nan 0.000 0.490 921 L N 2.573 124.040 121.223 0.406 0.000 2.349 921 L HA 0.555 4.896 4.340 0.003 0.000 0.278 921 L C -1.513 175.529 176.870 0.287 0.000 0.996 921 L CA -0.695 54.331 54.840 0.309 0.000 0.825 921 L CB 1.811 43.983 42.059 0.189 0.000 1.243 921 L HN 0.526 nan 8.230 nan 0.000 0.412 922 L N 4.590 126.004 121.223 0.319 0.000 2.356 922 L HA 0.858 5.200 4.340 0.003 0.000 0.277 922 L C -0.793 176.185 176.870 0.181 0.000 0.996 922 L CA -0.174 54.784 54.840 0.196 0.000 0.822 922 L CB 1.650 43.761 42.059 0.086 0.000 1.256 922 L HN 0.696 nan 8.230 nan 0.000 0.413 923 A N 3.160 126.036 122.820 0.093 0.000 2.422 923 A HA 0.521 4.843 4.320 0.003 0.000 0.302 923 A C -0.417 177.197 177.584 0.050 0.000 1.041 923 A CA -0.655 51.427 52.037 0.074 0.000 0.708 923 A CB 1.249 20.291 19.000 0.071 0.000 1.257 923 A HN 0.774 nan 8.150 nan 0.000 0.414 924 N N 0.949 119.687 118.700 0.062 0.000 2.171 924 N HA 0.304 5.046 4.740 0.003 0.000 0.212 924 N C 0.870 176.440 175.510 0.100 0.000 1.184 924 N CA 0.993 54.079 53.050 0.060 0.000 0.888 924 N CB 1.077 39.605 38.487 0.069 0.000 1.038 924 N HN 1.793 nan 8.380 nan 0.000 0.517 925 G N 0.412 109.261 108.800 0.080 0.000 2.278 925 G HA2 -0.220 3.741 3.960 0.003 0.000 0.210 925 G HA3 -0.220 3.741 3.960 0.003 0.000 0.210 925 G C 0.536 175.457 174.900 0.035 0.000 1.000 925 G CA 0.360 45.507 45.100 0.079 0.000 0.635 925 G HN 0.268 nan 8.290 nan 0.000 0.495 926 L N -0.256 120.956 121.223 -0.020 0.000 2.586 926 L HA 0.471 4.813 4.340 0.003 0.000 0.204 926 L C 0.947 177.646 176.870 -0.285 0.000 1.053 926 L CA -0.132 54.594 54.840 -0.189 0.000 0.856 926 L CB 0.090 41.975 42.059 -0.290 0.000 1.192 926 L HN 0.129 nan 8.230 nan 0.000 0.484 927 H N 0.202 119.239 119.070 -0.055 0.000 2.499 927 H HA 0.521 5.078 4.556 0.003 0.000 0.340 927 H C -1.031 174.127 175.328 -0.283 0.000 1.148 927 H CA -0.331 55.556 56.048 -0.269 0.000 1.215 927 H CB 2.524 32.010 29.762 -0.461 0.000 1.529 927 H HN -0.035 nan 8.280 nan 0.000 0.510 928 M N 3.265 122.709 119.600 -0.259 0.000 2.090 928 M HA 0.289 4.770 4.480 0.003 0.000 0.277 928 M C -1.849 174.336 176.300 -0.192 0.000 0.935 928 M CA -0.592 54.641 55.300 -0.113 0.000 0.966 928 M CB 0.683 33.270 32.600 -0.022 0.000 1.635 928 M HN 0.284 nan 8.290 nan 0.000 0.446 929 F N 4.669 124.660 119.950 0.068 0.000 2.420 929 F HA 0.503 5.032 4.527 0.003 0.000 0.342 929 F C -0.409 175.545 175.800 0.257 0.000 1.113 929 F CA -0.823 57.288 58.000 0.185 0.000 1.059 929 F CB 1.198 40.411 39.000 0.355 0.000 1.128 929 F HN 0.401 nan 8.300 nan 0.000 0.475 930 L N 4.770 126.228 121.223 0.393 0.000 2.283 930 L HA 0.369 4.710 4.340 0.003 0.000 0.281 930 L C -1.302 175.781 176.870 0.354 0.000 1.033 930 L CA -0.691 54.356 54.840 0.346 0.000 0.848 930 L CB 0.203 42.415 42.059 0.255 0.000 1.226 930 L HN 0.667 nan 8.230 nan 0.000 0.429 931 W N 6.647 128.047 121.300 0.166 0.000 2.315 931 W HA 0.617 5.279 4.660 0.003 0.000 0.316 931 W C -1.329 175.249 176.519 0.097 0.000 1.211 931 W CA -0.405 56.922 57.345 -0.029 0.000 1.201 931 W CB 0.916 30.216 29.460 -0.266 0.000 1.184 931 W HN 0.387 nan 8.180 nan 0.000 0.544 932 L N 6.604 127.522 121.223 -0.509 0.000 2.356 932 L HA 0.609 4.951 4.340 0.003 0.000 0.277 932 L C 0.760 177.037 176.870 -0.989 0.000 0.996 932 L CA -1.018 53.575 54.840 -0.412 0.000 0.822 932 L CB 1.491 43.474 42.059 -0.127 0.000 1.256 932 L HN 0.594 nan 8.230 nan 0.000 0.413 933 G N 0.822 109.175 108.800 -0.744 0.000 2.504 933 G HA2 0.409 4.371 3.960 0.003 0.000 0.288 933 G HA3 0.409 4.371 3.960 0.003 0.000 0.288 933 G C 1.106 175.531 174.900 -0.792 0.000 1.182 933 G CA -0.127 44.535 45.100 -0.731 0.000 0.894 933 G HN 0.538 nan 8.290 nan 0.000 0.521 934 V N -1.091 118.363 119.914 -0.768 0.000 2.261 934 V HA -0.091 4.031 4.120 0.003 0.000 0.246 934 V C 1.982 177.603 176.094 -0.789 0.000 1.047 934 V CA 2.128 63.792 62.300 -1.060 0.000 1.015 934 V CB -0.936 30.562 31.823 -0.542 0.000 0.642 934 V HN 0.432 nan 8.190 nan 0.000 0.446 935 S N 1.086 116.533 115.700 -0.421 0.000 2.930 935 S HA 0.211 4.683 4.470 0.003 0.000 0.257 935 S C 0.707 175.163 174.600 -0.239 0.000 1.208 935 S CA 0.423 58.462 58.200 -0.269 0.000 1.233 935 S CB -0.680 62.423 63.200 -0.162 0.000 0.900 935 S HN 0.604 nan 8.310 nan 0.000 0.472 936 S N 4.432 119.938 115.700 -0.324 0.000 2.465 936 S HA 0.177 4.648 4.470 0.003 0.000 0.280 936 S C -2.229 172.305 174.600 -0.109 0.000 1.232 936 S CA -1.714 56.364 58.200 -0.203 0.000 1.066 936 S CB 0.130 63.207 63.200 -0.205 0.000 0.929 936 S HN 0.249 nan 8.310 nan 0.000 0.494 937 P HA -0.001 nan 4.420 nan 0.000 0.255 937 P C -2.038 175.264 177.300 0.004 0.000 1.161 937 P CA -0.908 62.180 63.100 -0.020 0.000 0.768 937 P CB 0.146 31.851 31.700 0.008 0.000 0.746 938 P HA -0.172 nan 4.420 nan 0.000 0.222 938 P C 1.404 178.733 177.300 0.047 0.000 1.147 938 P CA 1.208 64.315 63.100 0.011 0.000 0.790 938 P CB 0.199 31.895 31.700 -0.007 0.000 0.780 939 E N 0.323 120.559 120.200 0.061 0.000 2.077 939 E HA -0.150 4.202 4.350 0.003 0.000 0.193 939 E C 2.132 178.820 176.600 0.145 0.000 0.989 939 E CA 1.010 57.468 56.400 0.096 0.000 0.800 939 E CB -0.415 29.349 29.700 0.106 0.000 0.746 939 E HN 0.202 nan 8.360 nan 0.000 0.452 940 L N 0.536 121.844 121.223 0.141 0.000 2.044 940 L HA -0.124 4.218 4.340 0.003 0.000 0.205 940 L C 2.643 179.627 176.870 0.190 0.000 1.075 940 L CA 0.795 55.737 54.840 0.169 0.000 0.747 940 L CB -0.423 41.685 42.059 0.082 0.000 0.903 940 L HN 0.214 nan 8.230 nan 0.000 0.435 941 I N -0.297 120.351 120.570 0.130 0.000 2.399 941 I HA -0.332 3.839 4.170 0.003 0.000 0.254 941 I C 2.527 178.763 176.117 0.197 0.000 1.146 941 I CA 1.326 62.696 61.300 0.117 0.000 1.412 941 I CB -0.283 37.699 38.000 -0.029 0.000 1.076 941 I HN 0.437 nan 8.210 nan 0.000 0.432 942 Q N 0.273 120.168 119.800 0.158 0.000 2.061 942 Q HA -0.024 4.317 4.340 0.003 0.000 0.195 942 Q C 2.274 178.373 176.000 0.165 0.000 0.967 942 Q CA 1.241 57.133 55.803 0.148 0.000 0.829 942 Q CB -0.340 28.461 28.738 0.105 0.000 0.900 942 Q HN 0.568 nan 8.270 nan 0.000 0.450 943 G N -0.108 108.798 108.800 0.176 0.000 2.708 943 G HA2 -0.049 3.912 3.960 0.003 0.000 0.210 943 G HA3 -0.049 3.912 3.960 0.003 0.000 0.210 943 G C 1.039 176.046 174.900 0.178 0.000 1.141 943 G CA 0.487 45.689 45.100 0.171 0.000 0.788 943 G HN 0.195 nan 8.290 nan 0.000 0.531 944 I N -2.099 118.600 120.570 0.215 0.000 3.746 944 I HA 0.247 4.418 4.170 0.003 0.000 0.262 944 I C 0.949 177.094 176.117 0.047 0.000 1.153 944 I CA 0.006 61.391 61.300 0.142 0.000 1.395 944 I CB 0.264 38.402 38.000 0.229 0.000 1.589 944 I HN -0.033 nan 8.210 nan 0.000 0.441 945 F N 1.369 121.348 119.950 0.049 0.000 2.732 945 F HA 0.273 4.802 4.527 0.003 0.000 0.303 945 F C 1.219 177.041 175.800 0.037 0.000 1.110 945 F CA -0.013 58.008 58.000 0.036 0.000 1.355 945 F CB -1.089 37.928 39.000 0.029 0.000 1.081 945 F HN 0.166 nan 8.300 nan 0.000 0.565 946 N N -0.252 118.569 118.700 0.202 0.000 2.809 946 N HA -0.210 4.532 4.740 0.003 0.000 0.244 946 N C -0.121 175.468 175.510 0.131 0.000 1.018 946 N CA 0.602 53.730 53.050 0.131 0.000 0.917 946 N CB -0.574 37.963 38.487 0.083 0.000 1.130 946 N HN 0.142 nan 8.380 nan 0.000 0.591 947 V N -2.468 117.548 119.914 0.170 0.000 2.716 947 V HA 0.452 4.573 4.120 0.003 0.000 0.304 947 V C -1.156 175.037 176.094 0.165 0.000 1.053 947 V CA -1.162 61.236 62.300 0.164 0.000 0.984 947 V CB 1.393 33.316 31.823 0.168 0.000 1.021 947 V HN -0.142 nan 8.190 nan 0.000 0.467 948 P HA -0.020 nan 4.420 nan 0.000 0.217 948 P C 0.585 177.871 177.300 -0.023 0.000 1.151 948 P CA 1.427 64.589 63.100 0.104 0.000 0.828 948 P CB 0.296 32.071 31.700 0.126 0.000 0.788 949 S N -2.701 112.898 115.700 -0.169 0.000 2.667 949 S HA 0.360 4.832 4.470 0.003 0.000 0.292 949 S C 0.606 175.115 174.600 -0.152 0.000 1.126 949 S CA -0.757 57.296 58.200 -0.244 0.000 0.881 949 S CB 0.664 63.595 63.200 -0.448 0.000 1.132 949 S HN -0.066 nan 8.310 nan 0.000 0.492 950 F N 1.907 121.715 119.950 -0.237 0.000 2.046 950 F HA 0.031 4.560 4.527 0.003 0.000 0.297 950 F C 2.450 178.139 175.800 -0.185 0.000 1.123 950 F CA 2.247 60.109 58.000 -0.230 0.000 1.199 950 F CB -1.056 37.819 39.000 -0.208 0.000 0.972 950 F HN 0.758 nan 8.300 nan 0.000 0.474 951 A N -1.177 121.528 122.820 -0.192 0.000 2.234 951 A HA -0.197 4.125 4.320 0.003 0.000 0.216 951 A C 1.786 179.311 177.584 -0.098 0.000 1.167 951 A CA 1.565 53.464 52.037 -0.228 0.000 0.698 951 A CB -1.511 17.467 19.000 -0.037 0.000 0.779 951 A HN 0.784 nan 8.150 nan 0.000 0.475 952 H N -1.276 117.674 119.070 -0.201 0.000 2.544 952 H HA 0.232 4.790 4.556 0.003 0.000 0.269 952 H C 0.068 175.297 175.328 -0.164 0.000 0.970 952 H CA -0.357 55.606 56.048 -0.141 0.000 1.219 952 H CB 0.222 29.935 29.762 -0.081 0.000 1.421 952 H HN 0.414 nan 8.280 nan 0.000 0.555 953 I N 1.523 121.998 120.570 -0.159 0.000 2.519 953 I HA -0.009 4.163 4.170 0.003 0.000 0.287 953 I C 0.350 176.374 176.117 -0.155 0.000 1.047 953 I CA -0.248 60.945 61.300 -0.179 0.000 1.381 953 I CB 0.747 38.510 38.000 -0.396 0.000 1.417 953 I HN 0.156 nan 8.210 nan 0.000 0.540 954 N N 3.526 122.192 118.700 -0.057 0.000 2.443 954 N HA 0.212 4.953 4.740 0.003 0.000 0.269 954 N C 0.561 176.066 175.510 -0.008 0.000 0.985 954 N CA -0.177 52.846 53.050 -0.045 0.000 0.921 954 N CB 1.709 40.186 38.487 -0.017 0.000 1.195 954 N HN 0.549 nan 8.380 nan 0.000 0.492 955 T N 1.298 115.834 114.554 -0.029 0.000 2.635 955 T HA -0.148 4.204 4.350 0.003 0.000 0.267 955 T C 0.617 175.334 174.700 0.028 0.000 1.040 955 T CA 1.240 63.344 62.100 0.006 0.000 1.156 955 T CB -0.133 68.733 68.868 -0.005 0.000 0.863 955 T HN 0.557 nan 8.240 nan 0.000 0.430 956 D N 0.501 120.914 120.400 0.022 0.000 2.421 956 D HA -0.067 4.575 4.640 0.003 0.000 0.223 956 D C 0.627 176.954 176.300 0.044 0.000 0.979 956 D CA 0.673 54.693 54.000 0.034 0.000 0.959 956 D CB -0.158 40.665 40.800 0.038 0.000 0.874 956 D HN 0.295 nan 8.370 nan 0.000 0.513 957 M N 0.374 120.000 119.600 0.044 0.000 3.106 957 M HA 0.083 4.565 4.480 0.003 0.000 0.213 957 M C -0.187 176.132 176.300 0.032 0.000 1.117 957 M CA -0.175 55.154 55.300 0.048 0.000 0.900 957 M CB 0.466 33.103 32.600 0.061 0.000 1.339 957 M HN -0.373 nan 8.290 nan 0.000 0.542 958 T N 1.086 115.640 114.554 0.000 0.000 3.535 958 T HA 0.216 4.567 4.350 0.003 0.000 0.238 958 T C 0.048 174.726 174.700 -0.037 0.000 0.909 958 T CA -0.098 61.997 62.100 -0.007 0.000 0.928 958 T CB -0.817 68.043 68.868 -0.014 0.000 1.134 958 T HN 0.309 nan 8.240 nan 0.000 0.627 959 L N 1.035 122.236 121.223 -0.037 0.000 2.387 959 L HA 0.514 4.855 4.340 0.003 0.000 0.266 959 L C -0.150 176.687 176.870 -0.055 0.000 1.059 959 L CA -1.145 53.668 54.840 -0.045 0.000 0.801 959 L CB 0.723 42.762 42.059 -0.033 0.000 1.223 959 L HN 0.213 nan 8.230 nan 0.000 0.456 960 L N 4.671 125.865 121.223 -0.047 0.000 2.584 960 L HA 0.172 4.514 4.340 0.003 0.000 0.272 960 L C -1.809 175.019 176.870 -0.071 0.000 1.195 960 L CA -0.908 53.898 54.840 -0.057 0.000 0.920 960 L CB -0.367 41.673 42.059 -0.032 0.000 1.173 960 L HN 0.534 nan 8.230 nan 0.000 0.489 961 P HA 0.304 nan 4.420 nan 0.000 0.303 961 P C -0.476 176.776 177.300 -0.080 0.000 1.370 961 P CA -0.569 62.460 63.100 -0.118 0.000 0.854 961 P CB 2.209 33.762 31.700 -0.246 0.000 0.946 962 E N 2.388 122.562 120.200 -0.042 0.000 3.281 962 E HA 0.262 4.613 4.350 0.003 0.000 0.467 962 E C 0.188 176.782 176.600 -0.010 0.000 0.293 962 E CA -0.380 56.006 56.400 -0.023 0.000 2.729 962 E CB 0.150 29.843 29.700 -0.013 0.000 2.276 962 E HN 0.123 nan 8.360 nan 0.000 0.424 963 V N -0.544 119.370 119.914 -0.000 0.000 0.691 963 V HA -0.326 3.796 4.120 0.003 0.000 0.092 963 V C 0.792 176.894 176.094 0.014 0.000 0.770 963 V CA 1.402 63.707 62.300 0.008 0.000 3.097 963 V CB -2.332 29.500 31.823 0.016 0.000 0.182 963 V HN 1.153 nan 8.190 nan 0.000 0.066 964 G N 0.417 109.231 108.800 0.024 0.000 3.344 964 G HA2 -0.260 3.701 3.960 0.003 0.000 0.677 964 G HA3 -0.260 3.701 3.960 0.003 0.000 0.677 964 G C 0.232 175.141 174.900 0.014 0.000 1.155 964 G CA 0.766 45.885 45.100 0.032 0.000 1.137 964 G HN 1.288 nan 8.290 nan 0.000 0.571 965 N N 2.044 120.740 118.700 -0.006 0.000 2.508 965 N HA 0.076 4.817 4.740 0.003 0.000 0.186 965 N C 0.153 175.639 175.510 -0.041 0.000 1.034 965 N CA 1.207 54.243 53.050 -0.023 0.000 0.885 965 N CB 0.318 38.785 38.487 -0.034 0.000 1.135 965 N HN 0.471 nan 8.380 nan 0.000 0.435 966 P HA 0.048 nan 4.420 nan 0.000 0.218 966 P C 1.058 178.331 177.300 -0.044 0.000 1.147 966 P CA 0.874 63.874 63.100 -0.168 0.000 0.863 966 P CB 0.186 31.646 31.700 -0.401 0.000 0.812 967 Y N -0.105 120.206 120.300 0.019 0.000 2.239 967 Y HA 0.040 4.591 4.550 0.003 0.000 0.293 967 Y C 3.044 178.954 175.900 0.017 0.000 1.126 967 Y CA 0.429 58.542 58.100 0.022 0.000 1.128 967 Y CB -0.599 37.883 38.460 0.036 0.000 1.066 967 Y HN -0.121 nan 8.280 nan 0.000 0.516 968 S N 0.242 116.055 115.700 0.189 0.000 2.441 968 S HA -0.256 4.215 4.470 0.003 0.000 0.242 968 S C 1.679 176.313 174.600 0.058 0.000 1.018 968 S CA 1.621 59.873 58.200 0.087 0.000 0.988 968 S CB -0.259 62.971 63.200 0.049 0.000 0.778 968 S HN 0.467 nan 8.310 nan 0.000 0.498 969 Q N -0.702 119.140 119.800 0.070 0.000 2.165 969 Q HA 0.038 4.380 4.340 0.003 0.000 0.197 969 Q C 2.217 178.252 176.000 0.059 0.000 0.952 969 Q CA 0.895 56.726 55.803 0.048 0.000 0.848 969 Q CB -0.179 28.580 28.738 0.034 0.000 0.931 969 Q HN 0.379 nan 8.270 nan 0.000 0.470 970 Q N 0.674 120.533 119.800 0.097 0.000 2.291 970 Q HA -0.104 4.238 4.340 0.003 0.000 0.205 970 Q C 1.663 177.703 176.000 0.068 0.000 0.970 970 Q CA 0.760 56.621 55.803 0.097 0.000 0.876 970 Q CB 0.038 28.875 28.738 0.165 0.000 0.935 970 Q HN 0.239 nan 8.270 nan 0.000 0.455 971 L N -0.531 120.730 121.223 0.064 0.000 2.127 971 L HA 0.093 4.435 4.340 0.003 0.000 0.203 971 L C 2.131 179.017 176.870 0.026 0.000 1.080 971 L CA 1.521 56.382 54.840 0.035 0.000 0.768 971 L CB -0.316 41.759 42.059 0.027 0.000 0.924 971 L HN 0.041 nan 8.230 nan 0.000 0.444 972 R N -0.800 119.714 120.500 0.022 0.000 2.115 972 R HA -0.155 4.187 4.340 0.003 0.000 0.230 972 R C 2.313 178.626 176.300 0.021 0.000 1.111 972 R CA 1.657 57.765 56.100 0.013 0.000 0.976 972 R CB -0.289 30.015 30.300 0.007 0.000 0.870 972 R HN 0.492 nan 8.270 nan 0.000 0.445 973 M N 0.852 120.468 119.600 0.028 0.000 2.086 973 M HA -0.153 4.329 4.480 0.003 0.000 0.261 973 M C 2.065 178.382 176.300 0.029 0.000 1.067 973 M CA 1.874 57.191 55.300 0.028 0.000 1.116 973 M CB -0.156 32.463 32.600 0.032 0.000 1.348 973 M HN 0.325 nan 8.290 nan 0.000 0.407 974 I N -1.778 118.810 120.570 0.031 0.000 2.439 974 I HA -0.202 3.970 4.170 0.003 0.000 0.251 974 I C 2.092 178.230 176.117 0.036 0.000 1.139 974 I CA 1.224 62.543 61.300 0.032 0.000 1.438 974 I CB -0.545 37.474 38.000 0.032 0.000 1.085 974 I HN 0.312 nan 8.210 nan 0.000 0.427 975 M N 1.627 121.247 119.600 0.034 0.000 2.279 975 M HA -0.027 4.455 4.480 0.003 0.000 0.264 975 M C 2.218 178.538 176.300 0.035 0.000 1.062 975 M CA 1.794 57.116 55.300 0.036 0.000 1.099 975 M CB -0.562 32.055 32.600 0.028 0.000 1.394 975 M HN 0.543 nan 8.290 nan 0.000 0.426 976 G N 0.289 109.107 108.800 0.030 0.000 2.395 976 G HA2 -0.146 3.816 3.960 0.003 0.000 0.214 976 G HA3 -0.146 3.816 3.960 0.003 0.000 0.214 976 G C 1.454 176.374 174.900 0.032 0.000 1.177 976 G CA 0.194 45.312 45.100 0.030 0.000 0.794 976 G HN 0.480 nan 8.290 nan 0.000 0.532 977 I N 0.258 120.847 120.570 0.032 0.000 2.454 977 I HA -0.066 4.106 4.170 0.003 0.000 0.254 977 I C 2.413 178.551 176.117 0.036 0.000 1.156 977 I CA 0.861 62.180 61.300 0.032 0.000 1.433 977 I CB -0.014 38.004 38.000 0.030 0.000 1.082 977 I HN 0.151 nan 8.210 nan 0.000 0.432 978 I N 0.546 121.141 120.570 0.041 0.000 2.252 978 I HA -0.285 3.887 4.170 0.003 0.000 0.245 978 I C 2.494 178.641 176.117 0.049 0.000 1.102 978 I CA 1.181 62.510 61.300 0.047 0.000 1.385 978 I CB -0.321 37.710 38.000 0.053 0.000 1.064 978 I HN 0.310 nan 8.210 nan 0.000 0.414 979 Q N 0.948 120.777 119.800 0.049 0.000 2.224 979 Q HA -0.221 4.121 4.340 0.003 0.000 0.203 979 Q C 1.892 177.922 176.000 0.050 0.000 0.970 979 Q CA 1.315 57.151 55.803 0.055 0.000 0.865 979 Q CB -0.106 28.664 28.738 0.054 0.000 0.922 979 Q HN 0.371 nan 8.270 nan 0.000 0.445 980 Q N 0.410 120.234 119.800 0.041 0.000 1.928 980 Q HA -0.272 4.070 4.340 0.003 0.000 0.223 980 Q C 1.242 177.262 176.000 0.033 0.000 1.042 980 Q CA 2.618 58.441 55.803 0.034 0.000 0.892 980 Q CB -0.136 28.620 28.738 0.029 0.000 1.001 980 Q HN 0.265 nan 8.270 nan 0.000 0.419 981 K N 0.016 120.434 120.400 0.031 0.000 2.551 981 K HA 0.016 4.338 4.320 0.003 0.000 0.192 981 K C -0.393 176.228 176.600 0.035 0.000 1.027 981 K CA -0.045 56.258 56.287 0.026 0.000 1.059 981 K CB 0.353 32.864 32.500 0.019 0.000 0.831 981 K HN 0.024 nan 8.250 nan 0.000 0.508 982 R N 1.118 121.648 120.500 0.050 0.000 2.221 982 R HA 0.098 4.440 4.340 0.003 0.000 0.327 982 R C -1.683 174.663 176.300 0.076 0.000 1.033 982 R CA -2.454 53.690 56.100 0.073 0.000 0.887 982 R CB 0.151 30.506 30.300 0.091 0.000 1.057 982 R HN -0.006 nan 8.270 nan 0.000 0.455 983 P HA -0.179 nan 4.420 nan 0.000 0.215 983 P C -0.170 177.087 177.300 -0.072 0.000 1.157 983 P CA 1.491 64.564 63.100 -0.044 0.000 0.874 983 P CB 0.099 31.718 31.700 -0.136 0.000 0.790 984 Y N 0.458 120.792 120.300 0.056 0.000 2.320 984 Y HA 0.279 4.830 4.550 0.003 0.000 0.324 984 Y C 1.270 177.234 175.900 0.108 0.000 1.190 984 Y CA -1.035 57.135 58.100 0.116 0.000 1.215 984 Y CB 0.504 38.992 38.460 0.047 0.000 1.221 984 Y HN -0.115 nan 8.280 nan 0.000 0.486 985 S N 3.283 119.158 115.700 0.291 0.000 2.439 985 S HA 0.428 4.900 4.470 0.003 0.000 0.282 985 S C -0.267 174.447 174.600 0.190 0.000 1.170 985 S CA -0.932 57.389 58.200 0.201 0.000 1.054 985 S CB -0.151 63.158 63.200 0.182 0.000 0.956 985 S HN 0.615 nan 8.310 nan 0.000 0.490 986 M N 2.959 122.632 119.600 0.121 0.000 2.252 986 M HA 0.117 4.598 4.480 0.003 0.000 0.333 986 M C 0.657 176.988 176.300 0.052 0.000 1.111 986 M CA 0.364 55.699 55.300 0.057 0.000 1.140 986 M CB 0.339 32.955 32.600 0.025 0.000 1.538 986 M HN 0.662 nan 8.290 nan 0.000 0.448 987 K N 3.391 123.802 120.400 0.018 0.000 2.273 987 K HA 0.241 4.562 4.320 0.003 0.000 0.287 987 K C -1.106 175.469 176.600 -0.040 0.000 1.089 987 K CA -0.642 55.670 56.287 0.042 0.000 0.909 987 K CB 0.501 33.062 32.500 0.101 0.000 1.123 987 K HN 0.475 nan 8.250 nan 0.000 0.473 988 L N 4.119 125.321 121.223 -0.035 0.000 2.455 988 L HA 0.176 4.518 4.340 0.003 0.000 0.272 988 L C -0.801 176.011 176.870 -0.096 0.000 1.174 988 L CA 1.154 55.952 54.840 -0.070 0.000 0.869 988 L CB 1.099 43.142 42.059 -0.027 0.000 1.130 988 L HN 0.620 nan 8.230 nan 0.000 0.474 989 T N 6.638 121.104 114.554 -0.147 0.000 3.050 989 T HA 0.477 4.829 4.350 0.003 0.000 0.310 989 T C -0.172 174.576 174.700 0.080 0.000 0.978 989 T CA -0.309 61.741 62.100 -0.083 0.000 1.013 989 T CB 0.514 69.236 68.868 -0.243 0.000 1.000 989 T HN 0.424 nan 8.240 nan 0.000 0.447 990 I N 3.322 123.958 120.570 0.110 0.000 2.441 990 I HA 0.420 4.592 4.170 0.003 0.000 0.287 990 I C -0.258 175.936 176.117 0.128 0.000 1.049 990 I CA -0.590 60.806 61.300 0.159 0.000 1.381 990 I CB 1.146 39.257 38.000 0.184 0.000 1.409 990 I HN 0.241 nan 8.210 nan 0.000 0.523 991 V N 6.692 126.660 119.914 0.091 0.000 2.483 991 V HA 0.314 4.436 4.120 0.003 0.000 0.297 991 V C -0.083 175.871 176.094 -0.234 0.000 1.027 991 V CA -0.995 61.287 62.300 -0.030 0.000 0.855 991 V CB 1.560 33.369 31.823 -0.023 0.000 0.995 991 V HN 0.615 nan 8.190 nan 0.000 0.424 992 K N 2.945 123.225 120.400 -0.199 0.000 2.205 992 K HA 0.321 4.642 4.320 0.003 0.000 0.279 992 K C 0.689 177.144 176.600 -0.241 0.000 1.027 992 K CA -0.311 55.861 56.287 -0.192 0.000 0.932 992 K CB 1.937 34.307 32.500 -0.216 0.000 1.032 992 K HN 0.789 nan 8.250 nan 0.000 0.466 993 Q N 2.757 122.317 119.800 -0.400 0.000 0.811 993 Q HA -0.178 4.164 4.340 0.003 0.000 0.838 993 Q C -0.009 175.945 176.000 -0.076 0.000 0.889 993 Q CA 1.185 56.746 55.803 -0.404 0.000 0.876 993 Q CB -0.016 28.419 28.738 -0.504 0.000 0.921 993 Q HN 0.428 nan 8.270 nan 0.000 0.218 994 R N 1.250 121.733 120.500 -0.028 0.000 2.474 994 R HA -0.168 4.174 4.340 0.003 0.000 0.275 994 R C -0.724 175.595 176.300 0.032 0.000 0.945 994 R CA 0.860 56.972 56.100 0.021 0.000 1.115 994 R CB -0.038 30.269 30.300 0.012 0.000 0.874 994 R HN 0.457 nan 8.270 nan 0.000 0.421 995 E N 2.221 122.444 120.200 0.038 0.000 1.325 995 E HA -0.358 3.994 4.350 0.003 0.000 0.182 995 E C -0.127 176.490 176.600 0.027 0.000 0.989 995 E CA 0.613 57.035 56.400 0.036 0.000 0.491 995 E CB -0.315 29.403 29.700 0.030 0.000 1.032 995 E HN 0.424 nan 8.360 nan 0.000 0.254 996 Q N 0.104 119.921 119.800 0.028 0.000 3.317 996 Q HA 0.257 4.599 4.340 0.003 0.000 0.322 996 Q C -1.533 174.493 176.000 0.043 0.000 0.945 996 Q CA -0.850 54.962 55.803 0.016 0.000 0.793 996 Q CB -0.130 28.597 28.738 -0.018 0.000 2.225 996 Q HN 0.140 nan 8.270 nan 0.000 0.392 997 P HA -0.121 nan 4.420 nan 0.000 0.223 997 P C 0.823 178.201 177.300 0.130 0.000 1.151 997 P CA 1.098 64.254 63.100 0.093 0.000 0.787 997 P CB 0.246 32.012 31.700 0.110 0.000 0.788 998 E N -0.330 119.946 120.200 0.127 0.000 2.476 998 E HA -0.298 4.054 4.350 0.003 0.000 0.241 998 E C 1.798 178.530 176.600 0.220 0.000 1.154 998 E CA 2.034 58.544 56.400 0.184 0.000 1.002 998 E CB -0.362 29.427 29.700 0.149 0.000 0.834 998 E HN 0.041 nan 8.360 nan 0.000 0.454 999 M N -0.212 119.478 119.600 0.150 0.000 2.089 999 M HA -0.202 4.280 4.480 0.003 0.000 0.257 999 M C 2.351 178.725 176.300 0.123 0.000 1.071 999 M CA 1.310 56.681 55.300 0.118 0.000 1.096 999 M CB -1.168 31.483 32.600 0.086 0.000 1.330 999 M HN 0.164 nan 8.290 nan 0.000 0.403 1000 V N -0.118 119.891 119.914 0.158 0.000 2.237 1000 V HA -0.289 3.833 4.120 0.003 0.000 0.245 1000 V C 2.209 178.400 176.094 0.162 0.000 1.046 1000 V CA 2.069 64.480 62.300 0.185 0.000 1.007 1000 V CB -1.076 30.906 31.823 0.265 0.000 0.638 1000 V HN 0.316 nan 8.190 nan 0.000 0.445 1001 F N 1.421 121.310 119.950 -0.102 0.000 2.085 1001 F HA -0.316 4.213 4.527 0.003 0.000 0.299 1001 F C 2.634 178.332 175.800 -0.170 0.000 1.096 1001 F CA 2.178 59.922 58.000 -0.427 0.000 1.227 1001 F CB -0.348 38.517 39.000 -0.225 0.000 0.983 1001 F HN -0.035 nan 8.300 nan 0.000 0.482 1002 R N -0.069 120.485 120.500 0.090 0.000 2.211 1002 R HA -0.228 4.114 4.340 0.003 0.000 0.240 1002 R C 2.143 178.339 176.300 -0.172 0.000 1.144 1002 R CA 1.764 57.845 56.100 -0.032 0.000 0.992 1002 R CB -0.472 29.865 30.300 0.061 0.000 0.869 1002 R HN 0.566 nan 8.270 nan 0.000 0.462 1003 Q N -0.741 118.954 119.800 -0.175 0.000 2.167 1003 Q HA -0.117 4.224 4.340 0.003 0.000 0.202 1003 Q C 1.029 176.716 176.000 -0.522 0.000 0.970 1003 Q CA 1.142 56.745 55.803 -0.333 0.000 0.855 1003 Q CB 0.044 28.532 28.738 -0.417 0.000 0.911 1003 Q HN 0.338 nan 8.270 nan 0.000 0.438 1004 F N 0.034 119.694 119.950 -0.484 0.000 2.804 1004 F HA 0.101 4.629 4.527 0.003 0.000 0.303 1004 F C 0.661 176.151 175.800 -0.517 0.000 1.154 1004 F CA 0.338 58.036 58.000 -0.503 0.000 1.401 1004 F CB 0.199 38.847 39.000 -0.587 0.000 1.106 1004 F HN -0.052 nan 8.300 nan 0.000 0.568 1005 L N 1.370 122.381 121.223 -0.353 0.000 2.719 1005 L HA 0.123 4.465 4.340 0.003 0.000 0.236 1005 L C 1.669 178.411 176.870 -0.215 0.000 1.285 1005 L CA -0.393 54.258 54.840 -0.315 0.000 1.222 1005 L CB 0.039 41.920 42.059 -0.297 0.000 1.493 1005 L HN 0.094 nan 8.230 nan 0.000 0.415 1006 V N -2.172 117.612 119.914 -0.218 0.000 2.636 1006 V HA -0.271 3.851 4.120 0.003 0.000 0.258 1006 V C 1.760 177.838 176.094 -0.028 0.000 1.092 1006 V CA 1.705 63.928 62.300 -0.128 0.000 1.110 1006 V CB -0.444 31.317 31.823 -0.103 0.000 0.685 1006 V HN 0.697 nan 8.190 nan 0.000 0.481 1007 E N 0.207 120.401 120.200 -0.010 0.000 2.285 1007 E HA -0.008 4.344 4.350 0.003 0.000 0.194 1007 E C 0.486 177.129 176.600 0.071 0.000 0.997 1007 E CA 0.501 56.949 56.400 0.079 0.000 0.845 1007 E CB 0.059 29.822 29.700 0.104 0.000 0.782 1007 E HN 0.759 nan 8.360 nan 0.000 0.491 1008 D N 0.192 120.593 120.400 0.002 0.000 2.451 1008 D HA 0.070 4.712 4.640 0.003 0.000 0.259 1008 D C 0.970 177.270 176.300 0.000 0.000 1.201 1008 D CA -0.108 53.892 54.000 -0.001 0.000 1.028 1008 D CB 0.762 41.540 40.800 -0.037 0.000 1.095 1008 D HN -0.148 nan 8.370 nan 0.000 0.539 1009 K N 0.207 120.608 120.400 0.001 0.000 2.103 1009 K HA 0.119 4.441 4.320 0.003 0.000 0.204 1009 K C 1.152 177.741 176.600 -0.019 0.000 1.052 1009 K CA 0.689 56.977 56.287 0.001 0.000 0.945 1009 K CB -0.226 32.278 32.500 0.006 0.000 0.722 1009 K HN 0.658 nan 8.250 nan 0.000 0.443 1015 S N -0.283 115.438 115.700 0.035 0.000 2.617 1015 S HA 0.618 5.090 4.470 0.003 0.000 0.269 1015 S C 0.856 175.499 174.600 0.072 0.000 1.292 1015 S CA 0.545 58.782 58.200 0.060 0.000 1.010 1015 S CB 1.250 64.512 63.200 0.102 0.000 0.944 1015 S HN 1.891 nan 8.310 nan 0.000 0.536 1016 S N 1.012 116.758 115.700 0.077 0.000 2.634 1016 S HA 0.173 4.645 4.470 0.003 0.000 0.261 1016 S C 0.764 175.472 174.600 0.179 0.000 1.271 1016 S CA -0.434 57.825 58.200 0.099 0.000 0.985 1016 S CB -0.232 63.008 63.200 0.067 0.000 0.968 1016 S HN 0.826 nan 8.310 nan 0.000 0.568 1017 Y N 1.499 121.842 120.300 0.070 0.000 2.128 1017 Y HA -0.133 4.418 4.550 0.003 0.000 0.284 1017 Y C 2.074 178.043 175.900 0.114 0.000 1.154 1017 Y CA 1.837 60.000 58.100 0.106 0.000 1.149 1017 Y CB -1.227 37.279 38.460 0.076 0.000 0.976 1017 Y HN 0.425 nan 8.280 nan 0.000 0.505 1018 V N 0.735 120.531 119.914 -0.198 0.000 2.343 1018 V HA -0.293 3.829 4.120 0.003 0.000 0.247 1018 V C 2.271 178.275 176.094 -0.149 0.000 1.051 1018 V CA 2.099 64.220 62.300 -0.300 0.000 1.036 1018 V CB -0.781 30.941 31.823 -0.169 0.000 0.654 1018 V HN 0.320 nan 8.190 nan 0.000 0.451 1019 D N -0.187 120.195 120.400 -0.029 0.000 2.103 1019 D HA -0.211 4.431 4.640 0.003 0.000 0.190 1019 D C 1.933 178.254 176.300 0.035 0.000 0.997 1019 D CA 1.607 55.613 54.000 0.010 0.000 0.833 1019 D CB -0.388 40.444 40.800 0.052 0.000 0.961 1019 D HN 0.433 nan 8.370 nan 0.000 0.447 1020 F N 1.360 121.292 119.950 -0.030 0.000 2.161 1020 F HA -0.148 4.380 4.527 0.003 0.000 0.300 1020 F C 2.248 178.031 175.800 -0.029 0.000 1.089 1020 F CA 0.980 58.977 58.000 -0.003 0.000 1.282 1020 F CB -0.406 38.627 39.000 0.056 0.000 1.010 1020 F HN -0.077 nan 8.300 nan 0.000 0.485 1021 L N -1.059 120.037 121.223 -0.211 0.000 2.046 1021 L HA -0.283 4.059 4.340 0.003 0.000 0.208 1021 L C 2.796 179.514 176.870 -0.254 0.000 1.077 1021 L CA 1.572 56.227 54.840 -0.308 0.000 0.747 1021 L CB -0.751 41.090 42.059 -0.363 0.000 0.896 1021 L HN 0.400 nan 8.230 nan 0.000 0.432 1022 C N -0.734 118.455 119.300 -0.185 0.000 2.425 1022 C HA -0.235 4.227 4.460 0.003 0.000 0.277 1022 C C 3.256 178.191 174.990 -0.092 0.000 1.280 1022 C CA 0.990 59.941 59.018 -0.110 0.000 1.744 1022 C CB -0.952 26.739 27.740 -0.081 0.000 1.989 1022 C HN 0.806 nan 8.230 nan 0.000 0.491 1023 C N -0.156 119.055 119.300 -0.148 0.000 2.462 1023 C HA -0.019 4.443 4.460 0.003 0.000 0.278 1023 C C 2.734 177.609 174.990 -0.191 0.000 1.253 1023 C CA 1.672 60.605 59.018 -0.140 0.000 1.713 1023 C CB -1.378 26.294 27.740 -0.113 0.000 2.049 1023 C HN 0.505 nan 8.230 nan 0.000 0.477 1024 V N 0.756 120.453 119.914 -0.362 0.000 2.282 1024 V HA -0.287 3.834 4.120 0.003 0.000 0.249 1024 V C 2.598 178.616 176.094 -0.126 0.000 1.057 1024 V CA 2.577 64.692 62.300 -0.308 0.000 1.032 1024 V CB -1.208 30.348 31.823 -0.445 0.000 0.645 1024 V HN 0.693 nan 8.190 nan 0.000 0.447 1025 H N 0.369 119.326 119.070 -0.187 0.000 2.387 1025 H HA -0.167 4.391 4.556 0.003 0.000 0.299 1025 H C 2.440 177.709 175.328 -0.098 0.000 1.099 1025 H CA 1.900 57.873 56.048 -0.125 0.000 1.315 1025 H CB 0.209 29.902 29.762 -0.115 0.000 1.380 1025 H HN 0.441 nan 8.280 nan 0.000 0.513 1026 K N 0.448 120.788 120.400 -0.101 0.000 2.009 1026 K HA -0.175 4.147 4.320 0.003 0.000 0.210 1026 K C 2.144 178.659 176.600 -0.141 0.000 1.049 1026 K CA 1.756 57.965 56.287 -0.130 0.000 0.929 1026 K CB -0.089 32.369 32.500 -0.070 0.000 0.714 1026 K HN 0.318 nan 8.250 nan 0.000 0.440 1027 E N 0.695 120.829 120.200 -0.110 0.000 2.274 1027 E HA -0.049 4.303 4.350 0.003 0.000 0.194 1027 E C 1.761 178.298 176.600 -0.105 0.000 0.996 1027 E CA 0.306 56.653 56.400 -0.088 0.000 0.840 1027 E CB 0.076 29.743 29.700 -0.055 0.000 0.772 1027 E HN 0.236 nan 8.360 nan 0.000 0.491 1028 I N -0.392 120.095 120.570 -0.138 0.000 2.439 1028 I HA -0.260 3.912 4.170 0.003 0.000 0.251 1028 I C 1.441 177.450 176.117 -0.180 0.000 1.139 1028 I CA 0.557 61.775 61.300 -0.137 0.000 1.438 1028 I CB 0.161 38.095 38.000 -0.110 0.000 1.085 1028 I HN 0.269 nan 8.210 nan 0.000 0.427 1029 C N 0.037 119.183 119.300 -0.257 0.000 2.475 1029 C HA -0.071 4.391 4.460 0.003 0.000 0.279 1029 C C 2.639 177.540 174.990 -0.147 0.000 1.322 1029 C CA 0.159 59.032 59.018 -0.242 0.000 1.734 1029 C CB -0.773 26.775 27.740 -0.320 0.000 2.005 1029 C HN 0.502 nan 8.230 nan 0.000 0.495 1030 Q N 0.860 120.585 119.800 -0.125 0.000 2.135 1030 Q HA -0.048 4.294 4.340 0.003 0.000 0.204 1030 Q C 1.566 177.522 176.000 -0.073 0.000 0.981 1030 Q CA 1.134 56.887 55.803 -0.083 0.000 0.856 1030 Q CB -0.463 28.235 28.738 -0.065 0.000 0.902 1030 Q HN 0.666 nan 8.270 nan 0.000 0.425 1031 L N 1.892 123.064 121.223 -0.086 0.000 2.801 1031 L HA 0.004 4.346 4.340 0.003 0.000 0.250 1031 L C 0.307 177.127 176.870 -0.084 0.000 1.222 1031 L CA -0.614 54.175 54.840 -0.085 0.000 1.054 1031 L CB -0.743 41.246 42.059 -0.117 0.000 1.330 1031 L HN 0.122 nan 8.230 nan 0.000 0.426 1032 L N 1.901 123.078 121.223 -0.077 0.000 4.094 1032 L HA -0.284 4.058 4.340 0.003 0.000 0.466 1032 L C -0.003 176.827 176.870 -0.066 0.000 0.991 1032 L CA 1.271 56.069 54.840 -0.071 0.000 0.821 1032 L CB -1.120 40.906 42.059 -0.054 0.000 1.201 1032 L HN 0.608 nan 8.230 nan 0.000 0.757 1033 N N 0.000 118.656 118.700 -0.074 0.000 1.763 1033 N HA 0.000 4.742 4.740 0.003 0.000 0.220 1033 N CA 0.000 53.011 53.050 -0.066 0.000 0.885 1033 N CB 0.000 38.447 38.487 -0.067 0.000 1.341 1033 N HN 0.000 nan 8.380 nan 0.000 0.667