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 2xcs_1_B DATA FIRST_RESID 417 DATA SEQUENCE KLADCSSKSP EECEIFLVEG DSAGGSTKSG RDSRTQAILP LRGKILNVEK DATA SEQUENCE ARLDRILNNN EIRQMITAFG TGIGGDFDLA KARYHKIVIM TDADVDGAHI DATA SEQUENCE RTLLLTFFYR FMRPLIEAGY VYIAQPPTGX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXYKGLGEM NADQLWETTM NPEHRALLQV KLEDAIEADQ DATA SEQUENCE TFEMLMGDVV ENRRQFIEDN AVYAXXXXXX 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 XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXNERNITS DATA SEQUENCE EMRESFLDYA MSVIVARALP DVRDGLKPVH RRILYGLNEQ GMTPDKSYKK DATA SEQUENCE SARIVGDVMG KYHPHGDSSI YEAMVRMAQD FSYRYPLVDG QGNFGSMDGD DATA SEQUENCE GAAAMRFTEA RMTKITLELL RDINKDTIDF IDNYDGNERE PSVLPARFPN DATA SEQUENCE LLANGASGIA VGMATNIPPH NLTELINGVL SLSKNPDISI AELMEDIEGP DATA SEQUENCE DFPTAGLILG KSGIRRAYET GRGSIQMRSR AVIEERGGGR QRIVVTEIPF DATA SEQUENCE QVNKARMIEK IAELVRDKKI DGITDLRDET SLRTGVRVVI DVRKDANASV DATA SEQUENCE ILNNLYKQTP LQTSFGVNMI ALVNGRPKLI NLKEALVHYL EHQKTVVRRR DATA SEQUENCE TQYNLRKAKD RAHILEGLRI ALDHIDEIIS TIRESDTDKV AMESLQQRFK DATA SEQUENCE LSEKQAQAIL DMRLRRLTGL ERDKIEAEYN ELLNYISELE TILADEEVLL DATA SEQUENCE QLVRDELTEI RDRFGDDRRT EIQLG 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 417 K HA 0.000 nan 4.320 nan 0.000 0.191 417 K C 0.000 176.618 176.600 0.031 0.000 0.988 417 K CA 0.000 56.298 56.287 0.018 0.000 0.838 417 K CB 0.000 32.507 32.500 0.011 0.000 1.064 418 L N 3.074 124.322 121.223 0.040 0.000 2.500 418 L HA 0.661 5.002 4.340 0.001 0.000 0.272 418 L C 0.439 177.347 176.870 0.063 0.000 1.149 418 L CA 0.095 54.972 54.840 0.062 0.000 0.897 418 L CB 0.613 42.721 42.059 0.083 0.000 1.178 418 L HN 0.555 nan 8.230 nan 0.000 0.473 419 A N 4.746 127.604 122.820 0.063 0.000 2.774 419 A HA 0.300 4.621 4.320 0.001 0.000 0.326 419 A C -0.091 177.544 177.584 0.084 0.000 1.478 419 A CA -0.673 51.399 52.037 0.058 0.000 1.099 419 A CB -0.490 18.535 19.000 0.040 0.000 1.148 419 A HN 0.746 nan 8.150 nan 0.000 0.519 420 D N 1.344 121.806 120.400 0.103 0.000 2.357 420 D HA 0.284 4.925 4.640 0.001 0.000 0.242 420 D C 0.700 177.077 176.300 0.130 0.000 1.153 420 D CA -0.214 53.878 54.000 0.154 0.000 0.918 420 D CB 0.909 41.803 40.800 0.157 0.000 1.181 420 D HN 0.657 nan 8.370 nan 0.000 0.435 421 C N 0.776 120.179 119.300 0.172 0.000 2.500 421 C HA 0.491 4.952 4.460 0.001 0.000 0.367 421 C C 2.088 177.130 174.990 0.086 0.000 1.283 421 C CA -0.023 59.070 59.018 0.126 0.000 2.456 421 C CB 0.270 28.105 27.740 0.159 0.000 2.457 421 C HN 0.583 nan 8.230 nan 0.000 0.632 422 S N 1.087 116.819 115.700 0.054 0.000 2.371 422 S HA -0.058 4.412 4.470 0.001 0.000 0.224 422 S C 1.055 175.668 174.600 0.023 0.000 1.029 422 S CA 1.044 59.263 58.200 0.032 0.000 0.978 422 S CB -0.771 62.440 63.200 0.018 0.000 0.833 422 S HN 1.137 nan 8.310 nan 0.000 0.466 423 S N 1.080 116.794 115.700 0.025 0.000 2.584 423 S HA 0.293 4.763 4.470 0.001 0.000 0.270 423 S C 0.216 174.813 174.600 -0.006 0.000 1.346 423 S CA -0.377 57.827 58.200 0.007 0.000 1.018 423 S CB 0.697 63.902 63.200 0.008 0.000 0.899 423 S HN 0.375 nan 8.310 nan 0.000 0.542 424 K N 1.420 121.803 120.400 -0.028 0.000 2.447 424 K HA 0.297 4.618 4.320 0.001 0.000 0.205 424 K C -0.376 176.180 176.600 -0.074 0.000 1.059 424 K CA -0.012 56.243 56.287 -0.054 0.000 1.065 424 K CB 0.919 33.393 32.500 -0.043 0.000 0.885 424 K HN 0.367 nan 8.250 nan 0.000 0.545 425 S N 3.118 118.777 115.700 -0.068 0.000 2.494 425 S HA 0.120 4.591 4.470 0.001 0.000 0.312 425 S C -1.959 172.564 174.600 -0.128 0.000 1.121 425 S CA -1.029 57.117 58.200 -0.091 0.000 1.068 425 S CB 0.643 63.794 63.200 -0.082 0.000 1.141 425 S HN 0.033 nan 8.310 nan 0.000 0.527 426 P HA -0.239 nan 4.420 nan 0.000 0.217 426 P C 1.764 178.894 177.300 -0.284 0.000 1.151 426 P CA 1.032 64.054 63.100 -0.131 0.000 0.849 426 P CB 0.095 31.796 31.700 0.002 0.000 0.787 427 E N 0.927 120.770 120.200 -0.595 0.000 2.209 427 E HA -0.234 4.117 4.350 0.001 0.000 0.196 427 E C 1.469 177.844 176.600 -0.375 0.000 0.993 427 E CA 1.579 57.437 56.400 -0.903 0.000 0.819 427 E CB -0.732 28.591 29.700 -0.628 0.000 0.745 427 E HN 0.535 nan 8.360 nan 0.000 0.477 428 E N -0.148 119.927 120.200 -0.208 0.000 2.489 428 E HA 0.140 4.490 4.350 0.001 0.000 0.204 428 E C 0.150 176.731 176.600 -0.033 0.000 1.006 428 E CA -0.278 56.061 56.400 -0.102 0.000 0.936 428 E CB 0.182 29.841 29.700 -0.069 0.000 1.002 428 E HN 0.049 nan 8.360 nan 0.000 0.488 429 C N 2.505 121.802 119.300 -0.004 0.000 2.398 429 C HA 0.459 4.919 4.460 0.001 0.000 0.364 429 C C -0.082 175.017 174.990 0.183 0.000 1.219 429 C CA -0.581 58.513 59.018 0.126 0.000 2.312 429 C CB 0.339 28.184 27.740 0.175 0.000 2.428 429 C HN 0.482 nan 8.230 nan 0.000 0.564 430 E N 1.617 121.924 120.200 0.177 0.000 2.331 430 E HA 0.635 4.985 4.350 0.001 0.000 0.275 430 E C -1.581 174.903 176.600 -0.194 0.000 0.895 430 E CA -0.595 55.781 56.400 -0.041 0.000 0.753 430 E CB 1.930 31.515 29.700 -0.192 0.000 1.216 430 E HN 0.686 nan 8.360 nan 0.000 0.434 431 I N 2.922 123.192 120.570 -0.499 0.000 2.378 431 I HA 0.394 4.564 4.170 0.001 0.000 0.291 431 I C -1.534 174.383 176.117 -0.333 0.000 0.992 431 I CA -1.029 59.968 61.300 -0.507 0.000 1.154 431 I CB 0.577 38.034 38.000 -0.906 0.000 1.315 431 I HN 0.509 nan 8.210 nan 0.000 0.448 432 F N 7.403 127.302 119.950 -0.085 0.000 2.410 432 F HA 0.427 4.954 4.527 0.001 0.000 0.349 432 F C -0.238 175.583 175.800 0.034 0.000 1.117 432 F CA -0.494 57.503 58.000 -0.005 0.000 1.104 432 F CB 1.268 40.273 39.000 0.008 0.000 1.122 432 F HN 0.194 nan 8.300 nan 0.000 0.483 433 L N 5.534 126.882 121.223 0.209 0.000 2.265 433 L HA 0.630 4.971 4.340 0.001 0.000 0.289 433 L C -0.262 176.711 176.870 0.172 0.000 1.033 433 L CA -0.910 54.045 54.840 0.192 0.000 0.814 433 L CB 0.861 43.062 42.059 0.236 0.000 1.203 433 L HN 0.436 nan 8.230 nan 0.000 0.423 434 V N -0.320 119.673 119.914 0.131 0.000 3.103 434 V HA 0.428 4.548 4.120 0.001 0.000 0.318 434 V C 0.761 176.895 176.094 0.066 0.000 1.114 434 V CA -0.704 61.655 62.300 0.098 0.000 1.020 434 V CB 1.889 33.760 31.823 0.080 0.000 1.085 434 V HN 0.739 nan 8.190 nan 0.000 0.446 435 E N 1.335 121.566 120.200 0.051 0.000 2.204 435 E HA 0.293 4.643 4.350 0.001 0.000 0.194 435 E C 0.872 177.487 176.600 0.024 0.000 0.989 435 E CA 1.282 57.702 56.400 0.034 0.000 0.824 435 E CB 0.154 29.873 29.700 0.032 0.000 0.756 435 E HN 1.045 nan 8.360 nan 0.000 0.477 436 G N -0.402 108.413 108.800 0.025 0.000 2.341 436 G HA2 -0.023 3.937 3.960 0.001 0.000 0.299 436 G HA3 -0.023 3.937 3.960 0.001 0.000 0.299 436 G C -0.791 174.119 174.900 0.017 0.000 1.274 436 G CA -0.466 44.645 45.100 0.018 0.000 0.853 436 G HN -0.134 nan 8.290 nan 0.000 0.493 437 D N 0.054 120.461 120.400 0.012 0.000 2.183 437 D HA -0.028 4.612 4.640 0.001 0.000 0.203 437 D C 2.503 178.807 176.300 0.006 0.000 0.969 437 D CA 1.467 55.473 54.000 0.009 0.000 0.842 437 D CB 0.183 40.987 40.800 0.006 0.000 0.957 437 D HN 0.197 nan 8.370 nan 0.000 0.484 438 S N 0.835 116.539 115.700 0.008 0.000 2.368 438 S HA -0.143 4.327 4.470 0.001 0.000 0.225 438 S C 2.139 176.740 174.600 0.002 0.000 1.030 438 S CA 1.196 59.399 58.200 0.005 0.000 0.999 438 S CB -0.054 63.151 63.200 0.010 0.000 0.844 438 S HN 0.347 nan 8.310 nan 0.000 0.459 439 A N 1.233 124.056 122.820 0.006 0.000 1.929 439 A HA 0.197 4.518 4.320 0.001 0.000 0.216 439 A C 2.307 179.889 177.584 -0.002 0.000 1.176 439 A CA 1.447 53.485 52.037 0.001 0.000 0.628 439 A CB -1.248 17.762 19.000 0.015 0.000 0.816 439 A HN 0.510 nan 8.150 nan 0.000 0.444 440 G N -0.347 108.457 108.800 0.007 0.000 2.432 440 G HA2 0.017 3.977 3.960 0.001 0.000 0.219 440 G HA3 0.017 3.977 3.960 0.001 0.000 0.219 440 G C 1.466 176.361 174.900 -0.008 0.000 1.135 440 G CA 1.250 46.354 45.100 0.006 0.000 0.767 440 G HN 0.657 nan 8.290 nan 0.000 0.550 441 G N 0.543 109.336 108.800 -0.010 0.000 2.402 441 G HA2 -0.124 3.836 3.960 0.001 0.000 0.216 441 G HA3 -0.124 3.836 3.960 0.001 0.000 0.216 441 G C 2.114 176.997 174.900 -0.028 0.000 1.162 441 G CA 1.355 46.445 45.100 -0.017 0.000 0.777 441 G HN 0.410 nan 8.290 nan 0.000 0.539 442 S N 0.299 115.980 115.700 -0.032 0.000 2.368 442 S HA -0.101 4.370 4.470 0.001 0.000 0.224 442 S C 2.587 177.156 174.600 -0.052 0.000 1.029 442 S CA 1.703 59.877 58.200 -0.044 0.000 0.988 442 S CB -0.419 62.748 63.200 -0.055 0.000 0.838 442 S HN 0.454 nan 8.310 nan 0.000 0.462 443 T N 1.736 116.257 114.554 -0.055 0.000 2.708 443 T HA -0.097 4.253 4.350 0.001 0.000 0.266 443 T C 1.832 176.484 174.700 -0.080 0.000 1.037 443 T CA 1.321 63.372 62.100 -0.082 0.000 1.146 443 T CB -0.179 68.646 68.868 -0.072 0.000 0.865 443 T HN 0.349 nan 8.240 nan 0.000 0.435 444 K N 0.725 121.094 120.400 -0.052 0.000 2.097 444 K HA -0.038 4.282 4.320 0.001 0.000 0.205 444 K C 2.556 179.118 176.600 -0.064 0.000 1.050 444 K CA 1.202 57.462 56.287 -0.046 0.000 0.938 444 K CB -0.069 32.416 32.500 -0.025 0.000 0.718 444 K HN 0.149 nan 8.250 nan 0.000 0.442 445 S N -0.463 115.200 115.700 -0.063 0.000 2.387 445 S HA -0.056 4.414 4.470 0.001 0.000 0.226 445 S C 1.797 176.331 174.600 -0.110 0.000 1.026 445 S CA 1.178 59.333 58.200 -0.076 0.000 0.972 445 S CB 0.023 63.189 63.200 -0.058 0.000 0.814 445 S HN 0.590 nan 8.310 nan 0.000 0.477 446 G N 2.090 110.833 108.800 -0.094 0.000 2.683 446 G HA2 0.006 3.966 3.960 0.001 0.000 0.213 446 G HA3 0.006 3.966 3.960 0.001 0.000 0.213 446 G C 0.562 175.357 174.900 -0.174 0.000 1.142 446 G CA -0.409 44.630 45.100 -0.103 0.000 0.793 446 G HN 0.556 nan 8.290 nan 0.000 0.534 447 R N 0.157 120.575 120.500 -0.137 0.000 2.893 447 R HA 0.263 4.603 4.340 0.001 0.000 0.279 447 R C -0.994 175.144 176.300 -0.271 0.000 1.076 447 R CA -0.119 55.907 56.100 -0.123 0.000 1.203 447 R CB 0.284 30.528 30.300 -0.095 0.000 1.137 447 R HN -0.052 nan 8.270 nan 0.000 0.541 448 D N -0.007 120.312 120.400 -0.136 0.000 2.473 448 D HA 0.066 4.707 4.640 0.001 0.000 0.226 448 D C 0.497 176.781 176.300 -0.027 0.000 1.089 448 D CA -0.434 53.480 54.000 -0.143 0.000 0.883 448 D CB 1.132 41.934 40.800 0.004 0.000 1.029 448 D HN 0.618 nan 8.370 nan 0.000 0.517 449 S N 3.369 119.038 115.700 -0.053 0.000 2.537 449 S HA -0.136 4.334 4.470 0.001 0.000 0.240 449 S C 1.561 176.176 174.600 0.023 0.000 0.981 449 S CA 0.450 58.646 58.200 -0.006 0.000 0.948 449 S CB -0.081 63.105 63.200 -0.023 0.000 0.759 449 S HN 0.468 nan 8.310 nan 0.000 0.531 450 R N 0.891 121.403 120.500 0.020 0.000 2.100 450 R HA 0.032 4.373 4.340 0.001 0.000 0.220 450 R C 1.973 178.308 176.300 0.059 0.000 1.091 450 R CA 1.607 57.725 56.100 0.031 0.000 0.986 450 R CB -0.375 29.936 30.300 0.017 0.000 0.888 450 R HN 0.739 nan 8.270 nan 0.000 0.444 451 T N -3.179 111.425 114.554 0.084 0.000 3.043 451 T HA 0.191 4.542 4.350 0.001 0.000 0.272 451 T C 0.357 175.161 174.700 0.172 0.000 0.990 451 T CA -0.370 61.798 62.100 0.113 0.000 0.897 451 T CB 0.562 69.488 68.868 0.096 0.000 1.111 451 T HN -0.035 nan 8.240 nan 0.000 0.529 452 Q N 1.382 121.290 119.800 0.179 0.000 2.357 452 Q HA 0.733 5.073 4.340 0.001 0.000 0.266 452 Q C -0.939 175.180 176.000 0.198 0.000 1.021 452 Q CA -0.700 55.251 55.803 0.248 0.000 0.784 452 Q CB 2.022 30.916 28.738 0.261 0.000 1.243 452 Q HN 0.490 nan 8.270 nan 0.000 0.465 453 A N 3.652 126.587 122.820 0.190 0.000 2.295 453 A HA 0.763 5.083 4.320 0.001 0.000 0.318 453 A C -0.491 177.165 177.584 0.119 0.000 1.134 453 A CA -0.472 51.638 52.037 0.122 0.000 0.827 453 A CB 0.640 19.683 19.000 0.072 0.000 1.136 453 A HN 0.755 nan 8.150 nan 0.000 0.493 454 I N 1.302 121.929 120.570 0.096 0.000 2.545 454 I HA 0.400 4.570 4.170 0.001 0.000 0.292 454 I C -1.221 174.942 176.117 0.078 0.000 1.040 454 I CA -0.665 60.696 61.300 0.103 0.000 1.068 454 I CB 2.026 40.070 38.000 0.073 0.000 1.251 454 I HN 0.493 nan 8.210 nan 0.000 0.424 455 L N 9.235 130.511 121.223 0.088 0.000 2.415 455 L HA 0.628 4.968 4.340 0.001 0.000 0.268 455 L C -2.671 174.241 176.870 0.070 0.000 0.984 455 L CA -1.773 53.111 54.840 0.073 0.000 0.853 455 L CB 1.516 43.623 42.059 0.079 0.000 1.215 455 L HN 0.213 nan 8.230 nan 0.000 0.419 456 P HA 0.282 nan 4.420 nan 0.000 0.280 456 P C -0.456 176.859 177.300 0.025 0.000 1.244 456 P CA -0.147 62.977 63.100 0.039 0.000 0.784 456 P CB 1.399 33.115 31.700 0.027 0.000 0.913 457 L N 2.756 123.993 121.223 0.023 0.000 2.970 457 L HA 0.547 4.887 4.340 0.001 0.000 0.214 457 L C 1.073 177.939 176.870 -0.006 0.000 1.317 457 L CA -0.705 54.136 54.840 0.001 0.000 1.187 457 L CB 0.197 42.255 42.059 -0.002 0.000 2.155 457 L HN 0.196 nan 8.230 nan 0.000 0.554 458 R N -0.291 120.198 120.500 -0.018 0.000 2.638 458 R HA 0.409 4.750 4.340 0.001 0.000 0.269 458 R C -0.333 175.958 176.300 -0.014 0.000 1.393 458 R CA 0.419 56.511 56.100 -0.014 0.000 1.531 458 R CB 0.201 30.488 30.300 -0.022 0.000 1.327 458 R HN 0.809 nan 8.270 nan 0.000 0.709 459 G N 1.310 110.105 108.800 -0.007 0.000 2.525 459 G HA2 -0.278 3.682 3.960 0.001 0.000 0.248 459 G HA3 -0.278 3.682 3.960 0.001 0.000 0.248 459 G C -1.168 173.714 174.900 -0.029 0.000 1.238 459 G CA -0.484 44.613 45.100 -0.005 0.000 0.926 459 G HN 0.255 nan 8.290 nan 0.000 0.574 460 K N 0.379 120.764 120.400 -0.026 0.000 2.472 460 K HA 0.316 4.637 4.320 0.001 0.000 0.280 460 K C 0.495 177.047 176.600 -0.080 0.000 1.028 460 K CA 0.093 56.342 56.287 -0.065 0.000 1.045 460 K CB 0.622 33.111 32.500 -0.020 0.000 0.902 460 K HN 0.593 nan 8.250 nan 0.000 0.478 461 I N 2.555 123.051 120.570 -0.124 0.000 2.676 461 I HA 0.138 4.308 4.170 0.001 0.000 0.309 461 I C -0.176 175.868 176.117 -0.122 0.000 0.990 461 I CA -1.343 59.880 61.300 -0.127 0.000 1.168 461 I CB 1.113 39.020 38.000 -0.155 0.000 1.343 461 I HN 0.405 nan 8.210 nan 0.000 0.482 462 L N 5.801 126.953 121.223 -0.118 0.000 2.578 462 L HA -0.021 4.319 4.340 0.001 0.000 0.279 462 L C 0.049 176.883 176.870 -0.062 0.000 1.227 462 L CA 0.643 55.432 54.840 -0.084 0.000 0.900 462 L CB -0.185 41.812 42.059 -0.103 0.000 1.144 462 L HN 0.604 nan 8.230 nan 0.000 0.496 463 N N 3.676 122.370 118.700 -0.012 0.000 2.402 463 N HA 0.034 4.775 4.740 0.001 0.000 0.252 463 N C 0.850 176.397 175.510 0.061 0.000 1.118 463 N CA 0.162 53.230 53.050 0.031 0.000 0.945 463 N CB 0.985 39.510 38.487 0.064 0.000 1.147 463 N HN 0.552 nan 8.380 nan 0.000 0.495 464 V N 1.577 121.552 119.914 0.101 0.000 3.141 464 V HA 0.001 4.121 4.120 0.001 0.000 0.265 464 V C 1.607 177.808 176.094 0.178 0.000 1.126 464 V CA 1.322 63.730 62.300 0.179 0.000 1.141 464 V CB -0.582 31.454 31.823 0.356 0.000 0.743 464 V HN 0.514 nan 8.190 nan 0.000 0.492 465 E N 1.004 121.281 120.200 0.128 0.000 2.358 465 E HA -0.015 4.335 4.350 0.001 0.000 0.195 465 E C 1.980 178.624 176.600 0.074 0.000 1.010 465 E CA 1.037 57.494 56.400 0.095 0.000 0.856 465 E CB -0.070 29.682 29.700 0.087 0.000 0.795 465 E HN 0.701 nan 8.360 nan 0.000 0.504 466 K N -0.906 119.538 120.400 0.074 0.000 2.373 466 K HA 0.360 4.680 4.320 0.001 0.000 0.200 466 K C -0.124 176.511 176.600 0.058 0.000 1.054 466 K CA 0.195 56.518 56.287 0.060 0.000 1.065 466 K CB 1.310 33.847 32.500 0.062 0.000 0.886 466 K HN -0.001 nan 8.250 nan 0.000 0.546 467 A N 1.498 124.359 122.820 0.068 0.000 2.320 467 A HA 0.526 4.846 4.320 0.001 0.000 0.334 467 A C -0.416 177.214 177.584 0.077 0.000 1.147 467 A CA -0.670 51.402 52.037 0.059 0.000 0.820 467 A CB 0.740 19.766 19.000 0.043 0.000 1.218 467 A HN 0.108 nan 8.150 nan 0.000 0.482 468 R N 0.431 120.966 120.500 0.059 0.000 2.543 468 R HA 0.291 4.632 4.340 0.001 0.000 0.268 468 R C 0.976 177.321 176.300 0.075 0.000 1.067 468 R CA -0.812 55.328 56.100 0.067 0.000 1.142 468 R CB 0.379 30.706 30.300 0.045 0.000 1.110 468 R HN 0.665 nan 8.270 nan 0.000 0.549 469 L N 2.065 123.345 121.223 0.095 0.000 2.013 469 L HA -0.267 4.074 4.340 0.001 0.000 0.212 469 L C 1.902 178.794 176.870 0.038 0.000 1.073 469 L CA 2.202 57.101 54.840 0.099 0.000 0.753 469 L CB -0.639 41.491 42.059 0.118 0.000 0.890 469 L HN 0.811 nan 8.230 nan 0.000 0.432 470 D N -0.955 119.461 120.400 0.027 0.000 2.123 470 D HA -0.311 4.330 4.640 0.001 0.000 0.196 470 D C 2.190 178.484 176.300 -0.011 0.000 0.992 470 D CA 1.693 55.697 54.000 0.007 0.000 0.833 470 D CB -0.481 40.325 40.800 0.009 0.000 0.954 470 D HN 0.318 nan 8.370 nan 0.000 0.455 471 R N 0.510 121.006 120.500 -0.007 0.000 2.075 471 R HA 0.059 4.399 4.340 0.001 0.000 0.232 471 R C 2.525 178.794 176.300 -0.052 0.000 1.126 471 R CA 0.959 57.046 56.100 -0.022 0.000 0.963 471 R CB -0.524 29.771 30.300 -0.008 0.000 0.858 471 R HN 0.282 nan 8.270 nan 0.000 0.435 472 I N 0.148 120.683 120.570 -0.058 0.000 2.179 472 I HA -0.269 3.901 4.170 0.001 0.000 0.242 472 I C 1.874 177.888 176.117 -0.172 0.000 1.088 472 I CA 1.239 62.458 61.300 -0.134 0.000 1.357 472 I CB -0.233 37.672 38.000 -0.159 0.000 1.051 472 I HN 0.174 nan 8.210 nan 0.000 0.409 473 L N 0.365 121.517 121.223 -0.118 0.000 2.291 473 L HA -0.125 4.216 4.340 0.001 0.000 0.214 473 L C 1.832 178.651 176.870 -0.086 0.000 1.120 473 L CA 0.839 55.618 54.840 -0.102 0.000 0.799 473 L CB -0.606 41.422 42.059 -0.051 0.000 0.925 473 L HN 0.312 nan 8.230 nan 0.000 0.446 474 N N 0.049 118.704 118.700 -0.075 0.000 2.336 474 N HA -0.076 4.665 4.740 0.001 0.000 0.189 474 N C 0.550 176.013 175.510 -0.079 0.000 1.113 474 N CA -0.007 53.005 53.050 -0.063 0.000 0.858 474 N CB 0.099 38.560 38.487 -0.043 0.000 0.970 474 N HN 0.157 nan 8.380 nan 0.000 0.471 475 N N 0.698 119.331 118.700 -0.111 0.000 2.470 475 N HA -0.027 4.713 4.740 0.001 0.000 0.268 475 N C 0.537 175.965 175.510 -0.136 0.000 1.136 475 N CA 0.095 53.069 53.050 -0.126 0.000 0.961 475 N CB 0.431 38.820 38.487 -0.163 0.000 1.067 475 N HN 0.305 nan 8.380 nan 0.000 0.468 476 N N 3.014 121.651 118.700 -0.106 0.000 2.069 476 N HA -0.206 4.534 4.740 0.001 0.000 0.191 476 N C 0.446 175.883 175.510 -0.121 0.000 1.031 476 N CA 1.432 54.424 53.050 -0.096 0.000 0.852 476 N CB 0.282 38.728 38.487 -0.067 0.000 1.018 476 N HN 0.550 nan 8.380 nan 0.000 0.423 477 E N 0.778 120.893 120.200 -0.141 0.000 2.077 477 E HA -0.095 4.255 4.350 0.001 0.000 0.193 477 E C 2.051 178.498 176.600 -0.254 0.000 0.989 477 E CA 0.626 56.927 56.400 -0.164 0.000 0.800 477 E CB -0.147 29.462 29.700 -0.151 0.000 0.746 477 E HN 0.394 nan 8.360 nan 0.000 0.452 478 I N 0.750 121.108 120.570 -0.354 0.000 2.127 478 I HA -0.280 3.890 4.170 0.001 0.000 0.241 478 I C 2.189 178.103 176.117 -0.339 0.000 1.075 478 I CA 1.486 62.457 61.300 -0.547 0.000 1.334 478 I CB -0.990 36.657 38.000 -0.588 0.000 1.040 478 I HN 0.108 nan 8.210 nan 0.000 0.405 479 R N 0.363 120.730 120.500 -0.223 0.000 2.083 479 R HA -0.205 4.136 4.340 0.001 0.000 0.237 479 R C 2.332 178.559 176.300 -0.122 0.000 1.137 479 R CA 1.493 57.511 56.100 -0.138 0.000 0.951 479 R CB -0.305 29.934 30.300 -0.101 0.000 0.851 479 R HN 0.527 nan 8.270 nan 0.000 0.434 480 Q N -0.324 119.399 119.800 -0.128 0.000 2.124 480 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 480 Q C 2.138 178.048 176.000 -0.150 0.000 0.977 480 Q CA 1.407 57.151 55.803 -0.100 0.000 0.850 480 Q CB -0.017 28.677 28.738 -0.072 0.000 0.901 480 Q HN 0.405 nan 8.270 nan 0.000 0.429 481 M N -0.062 119.391 119.600 -0.244 0.000 2.175 481 M HA -0.131 4.349 4.480 0.001 0.000 0.264 481 M C 2.088 177.998 176.300 -0.649 0.000 1.063 481 M CA 1.237 56.238 55.300 -0.499 0.000 1.119 481 M CB -0.145 32.205 32.600 -0.417 0.000 1.377 481 M HN 0.215 nan 8.290 nan 0.000 0.415 482 I N -0.361 120.050 120.570 -0.265 0.000 2.142 482 I HA -0.282 3.888 4.170 0.001 0.000 0.240 482 I C 2.323 178.416 176.117 -0.040 0.000 1.078 482 I CA 1.448 62.701 61.300 -0.078 0.000 1.343 482 I CB -0.713 37.304 38.000 0.028 0.000 1.046 482 I HN 0.286 nan 8.210 nan 0.000 0.405 483 T N 0.831 115.359 114.554 -0.044 0.000 2.684 483 T HA -0.186 4.165 4.350 0.001 0.000 0.267 483 T C 2.045 176.780 174.700 0.059 0.000 1.036 483 T CA 1.555 63.659 62.100 0.007 0.000 1.148 483 T CB -0.380 68.487 68.868 -0.002 0.000 0.863 483 T HN 0.487 nan 8.240 nan 0.000 0.436 484 A N 1.127 123.976 122.820 0.049 0.000 1.933 484 A HA -0.013 4.308 4.320 0.001 0.000 0.218 484 A C 1.919 179.786 177.584 0.472 0.000 1.175 484 A CA 1.318 53.485 52.037 0.216 0.000 0.628 484 A CB -0.783 18.325 19.000 0.181 0.000 0.814 484 A HN 0.446 nan 8.150 nan 0.000 0.444 485 F N -0.848 119.237 119.950 0.226 0.000 2.234 485 F HA 0.235 4.762 4.527 0.001 0.000 0.296 485 F C 2.286 178.148 175.800 0.103 0.000 1.089 485 F CA 0.330 58.466 58.000 0.226 0.000 1.343 485 F CB -1.307 37.811 39.000 0.197 0.000 1.040 485 F HN 0.410 nan 8.300 nan 0.000 0.498 486 G N -0.187 108.757 108.800 0.240 0.000 2.184 486 G HA2 -0.368 3.592 3.960 0.001 0.000 0.264 486 G HA3 -0.368 3.592 3.960 0.001 0.000 0.264 486 G C 1.160 176.065 174.900 0.008 0.000 0.975 486 G CA 0.984 46.138 45.100 0.091 0.000 0.642 486 G HN 0.486 nan 8.290 nan 0.000 0.536 487 T N -1.710 112.841 114.554 -0.006 0.000 3.054 487 T HA 0.473 4.823 4.350 0.001 0.000 0.259 487 T C 2.090 176.639 174.700 -0.251 0.000 1.092 487 T CA 1.410 63.338 62.100 -0.288 0.000 1.121 487 T CB 0.365 68.865 68.868 -0.613 0.000 0.912 487 T HN 2.389 nan 8.240 nan 0.000 0.489 488 G N 1.782 110.570 108.800 -0.021 0.000 2.725 488 G HA2 -0.010 3.951 3.960 0.001 0.000 0.220 488 G HA3 -0.010 3.951 3.960 0.001 0.000 0.220 488 G C -0.539 174.481 174.900 0.200 0.000 1.357 488 G CA -0.388 44.746 45.100 0.057 0.000 0.866 488 G HN 1.321 nan 8.290 nan 0.000 0.548 489 I N -2.773 117.934 120.570 0.228 0.000 3.074 489 I HA 0.841 5.012 4.170 0.001 0.000 0.310 489 I C 1.173 177.448 176.117 0.264 0.000 1.153 489 I CA -0.223 61.269 61.300 0.319 0.000 0.993 489 I CB 1.582 39.774 38.000 0.321 0.000 1.237 489 I HN 2.628 nan 8.210 nan 0.000 0.443 490 G N 2.545 111.475 108.800 0.217 0.000 2.591 490 G HA2 -0.302 3.659 3.960 0.001 0.000 0.298 490 G HA3 -0.302 3.659 3.960 0.001 0.000 0.298 490 G C 0.808 175.743 174.900 0.058 0.000 1.195 490 G CA 0.716 45.859 45.100 0.072 0.000 0.989 490 G HN 1.516 nan 8.290 nan 0.000 0.551 491 G N -0.611 108.213 108.800 0.040 0.000 2.443 491 G HA2 0.095 4.055 3.960 0.001 0.000 0.219 491 G HA3 0.095 4.055 3.960 0.001 0.000 0.219 491 G C 1.125 176.066 174.900 0.067 0.000 1.131 491 G CA 1.649 46.768 45.100 0.032 0.000 0.775 491 G HN 0.629 nan 8.290 nan 0.000 0.547 492 D N -0.427 120.026 120.400 0.088 0.000 2.349 492 D HA 0.050 4.690 4.640 0.001 0.000 0.224 492 D C 0.369 176.726 176.300 0.095 0.000 1.029 492 D CA -0.461 53.584 54.000 0.075 0.000 0.879 492 D CB -0.102 40.735 40.800 0.062 0.000 0.906 492 D HN 0.276 nan 8.370 nan 0.000 0.528 493 F N 2.011 121.959 119.950 -0.004 0.000 2.578 493 F HA 0.068 4.595 4.527 0.001 0.000 0.376 493 F C 0.326 176.110 175.800 -0.027 0.000 1.085 493 F CA 0.092 58.086 58.000 -0.010 0.000 1.260 493 F CB 0.587 39.565 39.000 -0.036 0.000 1.095 493 F HN -0.288 nan 8.300 nan 0.000 0.573 494 D N 6.544 126.585 120.400 -0.597 0.000 2.473 494 D HA 0.094 4.735 4.640 0.001 0.000 0.253 494 D C 0.441 176.392 176.300 -0.581 0.000 1.233 494 D CA -0.469 53.304 54.000 -0.377 0.000 0.908 494 D CB 1.298 41.977 40.800 -0.201 0.000 1.170 494 D HN 0.599 nan 8.370 nan 0.000 0.558 495 L N 4.372 125.375 121.223 -0.367 0.000 2.079 495 L HA -0.014 4.327 4.340 0.001 0.000 0.210 495 L C 2.039 178.806 176.870 -0.173 0.000 1.081 495 L CA 2.281 56.967 54.840 -0.257 0.000 0.752 495 L CB -0.362 41.647 42.059 -0.083 0.000 0.896 495 L HN 0.518 nan 8.230 nan 0.000 0.433 496 A N -1.164 121.589 122.820 -0.111 0.000 2.070 496 A HA -0.178 4.142 4.320 0.001 0.000 0.220 496 A C 2.109 179.670 177.584 -0.038 0.000 1.159 496 A CA 1.471 53.484 52.037 -0.039 0.000 0.656 496 A CB -0.468 18.516 19.000 -0.026 0.000 0.800 496 A HN 0.517 nan 8.150 nan 0.000 0.453 497 K N 0.025 120.364 120.400 -0.101 0.000 2.417 497 K HA 0.333 4.653 4.320 0.001 0.000 0.196 497 K C 0.430 176.992 176.600 -0.064 0.000 1.023 497 K CA 0.182 56.420 56.287 -0.081 0.000 1.122 497 K CB 0.129 32.567 32.500 -0.103 0.000 0.850 497 K HN 0.411 nan 8.250 nan 0.000 0.521 498 A N 1.550 124.342 122.820 -0.047 0.000 2.520 498 A HA 0.020 4.340 4.320 0.001 0.000 0.245 498 A C 0.709 178.305 177.584 0.021 0.000 1.072 498 A CA 0.008 52.059 52.037 0.023 0.000 0.761 498 A CB 0.191 19.255 19.000 0.107 0.000 1.004 498 A HN 0.344 nan 8.150 nan 0.000 0.499 499 R N 0.695 121.164 120.500 -0.051 0.000 2.297 499 R HA 0.121 4.462 4.340 0.001 0.000 0.197 499 R C -0.968 174.904 176.300 -0.714 0.000 0.943 499 R CA 0.728 56.610 56.100 -0.363 0.000 1.038 499 R CB 0.079 30.114 30.300 -0.440 0.000 0.957 499 R HN 0.772 nan 8.270 nan 0.000 0.484 500 Y N -1.884 118.465 120.300 0.083 0.000 2.544 500 Y HA 0.292 4.843 4.550 0.001 0.000 0.342 500 Y C 0.659 176.553 175.900 -0.011 0.000 1.062 500 Y CA -0.976 57.140 58.100 0.027 0.000 1.023 500 Y CB 1.380 39.814 38.460 -0.044 0.000 1.308 500 Y HN -0.086 nan 8.280 nan 0.000 0.457 501 H N 0.700 119.650 119.070 -0.200 0.000 2.551 501 H HA 0.252 4.808 4.556 0.001 0.000 0.271 501 H C -0.556 174.450 175.328 -0.538 0.000 0.984 501 H CA 0.199 55.813 56.048 -0.724 0.000 1.164 501 H CB 0.718 30.088 29.762 -0.653 0.000 1.437 501 H HN 0.395 nan 8.280 nan 0.000 0.550 502 K N 1.478 121.788 120.400 -0.151 0.000 2.578 502 K HA 0.295 4.615 4.320 0.001 0.000 0.250 502 K C -1.385 175.095 176.600 -0.200 0.000 0.955 502 K CA -0.696 55.497 56.287 -0.157 0.000 0.825 502 K CB 2.455 34.708 32.500 -0.411 0.000 1.151 502 K HN -0.084 nan 8.250 nan 0.000 0.432 503 I N 3.195 123.676 120.570 -0.147 0.000 2.328 503 I HA 0.152 4.322 4.170 0.001 0.000 0.287 503 I C -0.462 175.565 176.117 -0.151 0.000 1.012 503 I CA -0.652 60.478 61.300 -0.284 0.000 1.195 503 I CB 1.633 39.314 38.000 -0.532 0.000 1.350 503 I HN 0.220 nan 8.210 nan 0.000 0.464 504 V N 7.474 127.233 119.914 -0.259 0.000 2.347 504 V HA 0.410 4.530 4.120 0.001 0.000 0.280 504 V C 0.339 176.430 176.094 -0.004 0.000 1.021 504 V CA -0.654 61.524 62.300 -0.204 0.000 0.847 504 V CB 1.124 32.547 31.823 -0.667 0.000 0.990 504 V HN 0.434 nan 8.190 nan 0.000 0.444 505 I N 5.791 126.433 120.570 0.121 0.000 2.379 505 I HA 0.319 4.489 4.170 0.001 0.000 0.290 505 I C 0.268 176.487 176.117 0.171 0.000 1.063 505 I CA 0.389 61.801 61.300 0.188 0.000 1.351 505 I CB 0.648 38.785 38.000 0.229 0.000 1.410 505 I HN 0.626 nan 8.210 nan 0.000 0.505 506 M N 7.674 127.385 119.600 0.184 0.000 2.693 506 M HA 0.206 4.686 4.480 0.001 0.000 0.224 506 M C 0.024 176.404 176.300 0.133 0.000 1.149 506 M CA -0.438 54.971 55.300 0.180 0.000 0.622 506 M CB 0.488 33.247 32.600 0.265 0.000 1.443 506 M HN 0.717 nan 8.290 nan 0.000 0.431 507 T N -2.065 112.556 114.554 0.113 0.000 2.788 507 T HA 0.355 4.706 4.350 0.001 0.000 0.280 507 T C 0.142 174.888 174.700 0.077 0.000 0.984 507 T CA -0.726 61.425 62.100 0.086 0.000 0.972 507 T CB 0.721 69.633 68.868 0.074 0.000 1.039 507 T HN 0.373 nan 8.240 nan 0.000 0.530 508 D N 0.546 120.986 120.400 0.066 0.000 2.382 508 D HA 0.344 4.984 4.640 0.001 0.000 0.240 508 D C 0.340 176.687 176.300 0.078 0.000 1.146 508 D CA -0.135 53.905 54.000 0.066 0.000 0.897 508 D CB 0.453 41.289 40.800 0.060 0.000 1.197 508 D HN 0.820 nan 8.370 nan 0.000 0.432 509 A N 1.845 124.718 122.820 0.088 0.000 3.074 509 A HA 0.284 4.604 4.320 0.001 0.000 0.251 509 A C -0.380 177.257 177.584 0.089 0.000 1.695 509 A CA -0.283 51.811 52.037 0.095 0.000 1.343 509 A CB -0.811 18.258 19.000 0.115 0.000 1.078 509 A HN 0.514 nan 8.150 nan 0.000 0.644 510 D N -2.441 118.010 120.400 0.085 0.000 2.626 510 D HA 0.292 4.932 4.640 0.001 0.000 0.278 510 D C 0.821 177.186 176.300 0.108 0.000 1.211 510 D CA 0.035 54.087 54.000 0.085 0.000 0.903 510 D CB 0.549 41.389 40.800 0.067 0.000 1.408 510 D HN 0.288 nan 8.370 nan 0.000 0.454 511 V N -2.208 117.784 119.914 0.131 0.000 2.594 511 V HA -0.150 3.971 4.120 0.001 0.000 0.253 511 V C 0.997 177.235 176.094 0.241 0.000 1.069 511 V CA 1.856 64.267 62.300 0.185 0.000 1.082 511 V CB -0.676 31.257 31.823 0.183 0.000 0.680 511 V HN 0.529 nan 8.190 nan 0.000 0.469 512 D N 1.346 121.868 120.400 0.204 0.000 2.234 512 D HA -0.010 4.630 4.640 0.001 0.000 0.205 512 D C 2.207 178.546 176.300 0.065 0.000 0.962 512 D CA 1.508 55.594 54.000 0.143 0.000 0.855 512 D CB -0.064 40.834 40.800 0.163 0.000 0.951 512 D HN 0.614 nan 8.370 nan 0.000 0.500 513 G N 1.262 110.109 108.800 0.079 0.000 2.408 513 G HA2 -0.151 3.810 3.960 0.001 0.000 0.217 513 G HA3 -0.151 3.810 3.960 0.001 0.000 0.217 513 G C 1.752 176.687 174.900 0.059 0.000 1.150 513 G CA 0.915 46.052 45.100 0.062 0.000 0.776 513 G HN 0.323 nan 8.290 nan 0.000 0.542 514 A N 0.023 122.892 122.820 0.080 0.000 1.902 514 A HA -0.100 4.221 4.320 0.001 0.000 0.217 514 A C 2.067 179.694 177.584 0.072 0.000 1.181 514 A CA 1.832 53.923 52.037 0.089 0.000 0.623 514 A CB -0.864 18.204 19.000 0.114 0.000 0.818 514 A HN 0.577 nan 8.150 nan 0.000 0.443 515 H N -0.356 118.620 119.070 -0.155 0.000 2.353 515 H HA -0.077 4.479 4.556 0.001 0.000 0.300 515 H C 1.973 177.200 175.328 -0.169 0.000 1.090 515 H CA 1.711 57.550 56.048 -0.348 0.000 1.327 515 H CB -0.070 29.049 29.762 -1.071 0.000 1.383 515 H HN 0.469 nan 8.280 nan 0.000 0.508 516 I N 0.450 120.907 120.570 -0.188 0.000 2.286 516 I HA -0.262 3.909 4.170 0.001 0.000 0.248 516 I C 2.900 178.969 176.117 -0.080 0.000 1.115 516 I CA 1.050 62.246 61.300 -0.174 0.000 1.392 516 I CB -0.307 37.644 38.000 -0.081 0.000 1.065 516 I HN 0.240 nan 8.210 nan 0.000 0.418 517 R N 0.926 121.423 120.500 -0.004 0.000 2.081 517 R HA -0.184 4.156 4.340 0.001 0.000 0.235 517 R C 2.491 178.828 176.300 0.061 0.000 1.131 517 R CA 2.218 58.352 56.100 0.056 0.000 0.960 517 R CB -0.350 30.004 30.300 0.089 0.000 0.856 517 R HN 0.491 nan 8.270 nan 0.000 0.436 518 T N -0.953 113.639 114.554 0.063 0.000 2.833 518 T HA -0.098 4.252 4.350 0.001 0.000 0.269 518 T C 1.986 176.733 174.700 0.078 0.000 1.054 518 T CA 1.213 63.377 62.100 0.106 0.000 1.135 518 T CB -0.302 68.693 68.868 0.212 0.000 0.869 518 T HN 0.211 nan 8.240 nan 0.000 0.466 519 L N 0.126 121.326 121.223 -0.039 0.000 2.056 519 L HA 0.097 4.437 4.340 0.001 0.000 0.207 519 L C 2.824 179.656 176.870 -0.063 0.000 1.078 519 L CA 1.029 55.827 54.840 -0.071 0.000 0.749 519 L CB -0.583 41.353 42.059 -0.204 0.000 0.901 519 L HN 0.229 nan 8.230 nan 0.000 0.433 520 L N -0.608 120.548 121.223 -0.112 0.000 2.046 520 L HA -0.225 4.115 4.340 0.001 0.000 0.208 520 L C 2.501 179.109 176.870 -0.437 0.000 1.077 520 L CA 1.196 55.857 54.840 -0.299 0.000 0.747 520 L CB -0.441 41.512 42.059 -0.176 0.000 0.896 520 L HN 0.243 nan 8.230 nan 0.000 0.432 521 L N -0.884 120.320 121.223 -0.030 0.000 2.083 521 L HA -0.199 4.141 4.340 0.001 0.000 0.209 521 L C 2.596 179.580 176.870 0.191 0.000 1.083 521 L CA 1.348 56.307 54.840 0.199 0.000 0.752 521 L CB -0.817 41.438 42.059 0.328 0.000 0.899 521 L HN 0.275 nan 8.230 nan 0.000 0.433 522 T N -0.283 114.406 114.554 0.225 0.000 2.746 522 T HA -0.221 4.129 4.350 0.001 0.000 0.267 522 T C 1.580 176.295 174.700 0.025 0.000 1.039 522 T CA 1.511 63.686 62.100 0.126 0.000 1.142 522 T CB -0.344 68.666 68.868 0.237 0.000 0.866 522 T HN 0.269 nan 8.240 nan 0.000 0.444 523 F N 1.339 121.226 119.950 -0.105 0.000 2.146 523 F HA 0.036 4.563 4.527 0.001 0.000 0.298 523 F C 1.698 177.551 175.800 0.089 0.000 1.096 523 F CA 0.898 58.877 58.000 -0.035 0.000 1.275 523 F CB -0.714 38.163 39.000 -0.205 0.000 1.008 523 F HN 0.193 nan 8.300 nan 0.000 0.480 524 F N -1.589 118.305 119.950 -0.093 0.000 2.186 524 F HA -0.202 4.326 4.527 0.001 0.000 0.299 524 F C 2.295 177.941 175.800 -0.258 0.000 1.090 524 F CA 1.050 58.921 58.000 -0.215 0.000 1.307 524 F CB -0.890 38.116 39.000 0.009 0.000 1.019 524 F HN 0.063 nan 8.300 nan 0.000 0.489 525 Y N 1.122 121.290 120.300 -0.220 0.000 2.220 525 Y HA -0.096 4.455 4.550 0.001 0.000 0.291 525 Y C 2.333 177.964 175.900 -0.448 0.000 1.129 525 Y CA 1.322 59.164 58.100 -0.430 0.000 1.161 525 Y CB -0.101 37.791 38.460 -0.946 0.000 0.997 525 Y HN -0.243 nan 8.280 nan 0.000 0.522 526 R N -1.098 119.176 120.500 -0.377 0.000 2.200 526 R HA 0.020 4.360 4.340 0.001 0.000 0.208 526 R C 1.079 176.931 176.300 -0.748 0.000 1.033 526 R CA 0.922 56.713 56.100 -0.515 0.000 1.000 526 R CB -0.557 29.521 30.300 -0.370 0.000 0.906 526 R HN 0.420 nan 8.270 nan 0.000 0.462 527 F N -1.704 118.016 119.950 -0.383 0.000 2.789 527 F HA 0.334 4.862 4.527 0.001 0.000 0.320 527 F C 1.044 176.636 175.800 -0.347 0.000 1.079 527 F CA 0.112 57.909 58.000 -0.339 0.000 1.205 527 F CB 0.588 39.380 39.000 -0.348 0.000 1.046 527 F HN -0.224 nan 8.300 nan 0.000 0.586 528 M N -0.279 119.139 119.600 -0.303 0.000 3.637 528 M HA 0.226 4.706 4.480 0.001 0.000 0.452 528 M C 1.318 177.236 176.300 -0.638 0.000 1.718 528 M CA -0.008 55.013 55.300 -0.465 0.000 0.690 528 M CB 0.775 33.333 32.600 -0.069 0.000 1.448 528 M HN -0.067 nan 8.290 nan 0.000 0.524 529 R N 1.842 121.966 120.500 -0.627 0.000 2.103 529 R HA -0.127 4.213 4.340 0.001 0.000 0.242 529 R C -1.063 174.918 176.300 -0.530 0.000 1.142 529 R CA 2.009 57.766 56.100 -0.570 0.000 0.960 529 R CB -0.685 29.216 30.300 -0.666 0.000 0.858 529 R HN 0.202 nan 8.270 nan 0.000 0.439 530 P HA -0.105 nan 4.420 nan 0.000 0.226 530 P C 0.992 178.023 177.300 -0.448 0.000 1.153 530 P CA 0.649 63.435 63.100 -0.524 0.000 0.777 530 P CB -0.004 31.402 31.700 -0.490 0.000 0.794 531 L N -0.813 120.090 121.223 -0.534 0.000 2.056 531 L HA -0.090 4.251 4.340 0.001 0.000 0.207 531 L C 2.083 178.807 176.870 -0.243 0.000 1.078 531 L CA 1.716 56.388 54.840 -0.281 0.000 0.749 531 L CB -0.840 41.122 42.059 -0.162 0.000 0.901 531 L HN -0.125 nan 8.230 nan 0.000 0.433 532 I N -0.862 119.581 120.570 -0.212 0.000 2.233 532 I HA -0.242 3.929 4.170 0.001 0.000 0.243 532 I C 2.277 178.322 176.117 -0.119 0.000 1.093 532 I CA 1.130 62.358 61.300 -0.119 0.000 1.380 532 I CB -0.373 37.608 38.000 -0.030 0.000 1.067 532 I HN 0.271 nan 8.210 nan 0.000 0.413 533 E N 1.090 121.199 120.200 -0.152 0.000 2.160 533 E HA -0.215 4.135 4.350 0.001 0.000 0.195 533 E C 2.155 178.682 176.600 -0.122 0.000 0.991 533 E CA 1.303 57.628 56.400 -0.125 0.000 0.810 533 E CB -0.184 29.428 29.700 -0.146 0.000 0.742 533 E HN 0.519 nan 8.360 nan 0.000 0.466 534 A N 0.275 122.981 122.820 -0.190 0.000 2.167 534 A HA 0.194 4.514 4.320 0.001 0.000 0.214 534 A C 1.701 179.293 177.584 0.014 0.000 1.151 534 A CA 0.809 52.731 52.037 -0.192 0.000 0.735 534 A CB -0.316 18.328 19.000 -0.593 0.000 0.802 534 A HN 0.324 nan 8.150 nan 0.000 0.467 535 G N -2.040 106.756 108.800 -0.007 0.000 2.182 535 G HA2 -0.315 3.645 3.960 0.001 0.000 0.248 535 G HA3 -0.315 3.645 3.960 0.001 0.000 0.248 535 G C 0.363 175.320 174.900 0.095 0.000 1.042 535 G CA 0.536 45.627 45.100 -0.014 0.000 0.775 535 G HN 0.620 nan 8.290 nan 0.000 0.501 536 Y N -1.149 119.057 120.300 -0.156 0.000 2.500 536 Y HA 0.306 4.856 4.550 0.001 0.000 0.270 536 Y C 1.471 177.322 175.900 -0.081 0.000 1.134 536 Y CA -0.103 57.963 58.100 -0.056 0.000 1.293 536 Y CB 0.867 39.249 38.460 -0.131 0.000 1.063 536 Y HN 0.214 nan 8.280 nan 0.000 0.534 537 V N 0.972 120.824 119.914 -0.104 0.000 2.407 537 V HA 0.176 4.296 4.120 0.001 0.000 0.278 537 V C -0.904 175.049 176.094 -0.236 0.000 1.037 537 V CA -0.679 61.542 62.300 -0.131 0.000 0.900 537 V CB 0.300 32.044 31.823 -0.132 0.000 0.983 537 V HN 0.014 nan 8.190 nan 0.000 0.459 538 Y N 3.876 124.142 120.300 -0.056 0.000 2.570 538 Y HA 0.681 5.231 4.550 0.001 0.000 0.345 538 Y C -0.020 175.885 175.900 0.009 0.000 1.014 538 Y CA -1.090 56.992 58.100 -0.029 0.000 1.063 538 Y CB 1.997 40.411 38.460 -0.076 0.000 1.272 538 Y HN 0.402 nan 8.280 nan 0.000 0.477 539 I N 2.080 122.767 120.570 0.194 0.000 2.410 539 I HA 0.567 4.737 4.170 0.001 0.000 0.286 539 I C -0.243 175.962 176.117 0.145 0.000 1.009 539 I CA -0.839 60.552 61.300 0.151 0.000 1.111 539 I CB 1.325 39.399 38.000 0.122 0.000 1.262 539 I HN 0.709 nan 8.210 nan 0.000 0.443 540 A N 5.791 128.697 122.820 0.144 0.000 2.332 540 A HA 0.451 4.771 4.320 0.001 0.000 0.258 540 A C -0.067 177.587 177.584 0.117 0.000 1.087 540 A CA -0.203 51.921 52.037 0.145 0.000 0.802 540 A CB 0.437 19.559 19.000 0.204 0.000 1.042 540 A HN 0.766 nan 8.150 nan 0.000 0.489 541 Q N 1.088 120.945 119.800 0.096 0.000 2.965 541 Q HA 0.253 4.593 4.340 0.001 0.000 0.288 541 Q C -2.504 173.537 176.000 0.068 0.000 0.974 541 Q CA -1.724 54.127 55.803 0.080 0.000 0.849 541 Q CB 1.061 29.841 28.738 0.070 0.000 1.280 541 Q HN 0.570 nan 8.270 nan 0.000 0.441 542 P HA 0.115 nan 4.420 nan 0.000 0.271 542 P C -2.384 174.963 177.300 0.078 0.000 1.218 542 P CA -1.016 62.115 63.100 0.051 0.000 0.780 542 P CB 0.001 31.724 31.700 0.039 0.000 0.901 543 P HA 0.048 nan 4.420 nan 0.000 0.272 543 P C 0.049 177.472 177.300 0.205 0.000 1.223 543 P CA 0.038 63.226 63.100 0.146 0.000 0.784 543 P CB 0.171 31.985 31.700 0.189 0.000 0.923 544 T N -1.847 112.797 114.554 0.150 0.000 2.788 544 T HA 0.562 4.912 4.350 0.001 0.000 0.280 544 T C 0.644 175.403 174.700 0.099 0.000 0.984 544 T CA 0.289 62.467 62.100 0.130 0.000 0.972 544 T CB 0.181 69.097 68.868 0.079 0.000 1.039 544 T HN 0.905 nan 8.240 nan 0.000 0.530 581 K N 1.057 121.555 120.400 0.164 0.000 2.365 581 K HA 0.536 4.857 4.320 0.001 0.000 0.199 581 K C 0.720 177.356 176.600 0.061 0.000 1.045 581 K CA 1.414 57.732 56.287 0.053 0.000 0.962 581 K CB -0.161 32.332 32.500 -0.011 0.000 0.759 581 K HN 1.260 nan 8.250 nan 0.000 0.469 582 G N -1.910 106.951 108.800 0.101 0.000 2.451 582 G HA2 0.381 4.341 3.960 0.001 0.000 0.292 582 G HA3 0.381 4.341 3.960 0.001 0.000 0.292 582 G C 0.257 175.177 174.900 0.032 0.000 1.427 582 G CA -0.358 44.778 45.100 0.060 0.000 0.792 582 G HN 0.068 nan 8.290 nan 0.000 0.498 583 L N 0.574 121.794 121.223 -0.005 0.000 2.275 583 L HA 0.074 4.415 4.340 0.001 0.000 0.215 583 L C 2.703 179.532 176.870 -0.068 0.000 1.119 583 L CA 1.362 56.163 54.840 -0.066 0.000 0.790 583 L CB -0.261 41.772 42.059 -0.044 0.000 0.919 583 L HN 0.704 nan 8.230 nan 0.000 0.443 584 G N -0.529 108.259 108.800 -0.021 0.000 2.679 584 G HA2 -0.201 3.759 3.960 0.001 0.000 0.212 584 G HA3 -0.201 3.759 3.960 0.001 0.000 0.212 584 G C 1.391 176.294 174.900 0.006 0.000 1.137 584 G CA 0.152 45.246 45.100 -0.010 0.000 0.787 584 G HN 0.442 nan 8.290 nan 0.000 0.534 585 E N -0.605 119.610 120.200 0.026 0.000 2.400 585 E HA 0.164 4.515 4.350 0.001 0.000 0.195 585 E C 0.981 177.627 176.600 0.077 0.000 1.012 585 E CA -0.270 56.196 56.400 0.111 0.000 0.875 585 E CB 0.010 29.860 29.700 0.250 0.000 0.859 585 E HN 0.335 nan 8.360 nan 0.000 0.498 586 M N 1.507 121.010 119.600 -0.163 0.000 2.274 586 M HA 0.204 4.685 4.480 0.001 0.000 0.344 586 M C -0.146 176.085 176.300 -0.114 0.000 1.161 586 M CA -0.716 54.394 55.300 -0.316 0.000 1.126 586 M CB 1.006 33.266 32.600 -0.567 0.000 1.522 586 M HN -0.139 nan 8.290 nan 0.000 0.461 587 N N 0.918 119.584 118.700 -0.057 0.000 2.503 587 N HA 0.202 4.942 4.740 0.001 0.000 0.267 587 N C 0.657 176.146 175.510 -0.035 0.000 1.214 587 N CA 0.010 53.047 53.050 -0.022 0.000 0.959 587 N CB 1.153 39.647 38.487 0.010 0.000 1.142 587 N HN 0.801 nan 8.380 nan 0.000 0.455 588 A N 1.503 124.308 122.820 -0.024 0.000 1.940 588 A HA -0.232 4.089 4.320 0.001 0.000 0.219 588 A C 1.570 179.168 177.584 0.024 0.000 1.176 588 A CA 1.992 54.017 52.037 -0.020 0.000 0.631 588 A CB -0.446 18.532 19.000 -0.037 0.000 0.814 588 A HN 0.823 nan 8.150 nan 0.000 0.446 589 D N -0.730 119.688 120.400 0.030 0.000 2.144 589 D HA -0.213 4.428 4.640 0.001 0.000 0.200 589 D C 1.861 178.229 176.300 0.113 0.000 0.978 589 D CA 1.668 55.721 54.000 0.088 0.000 0.833 589 D CB -0.757 40.076 40.800 0.055 0.000 0.961 589 D HN 0.451 nan 8.370 nan 0.000 0.470 590 Q N -0.193 119.634 119.800 0.044 0.000 2.079 590 Q HA -0.027 4.314 4.340 0.001 0.000 0.200 590 Q C 2.106 178.098 176.000 -0.014 0.000 0.974 590 Q CA 0.748 56.559 55.803 0.015 0.000 0.840 590 Q CB -0.523 28.216 28.738 0.001 0.000 0.898 590 Q HN 0.314 nan 8.270 nan 0.000 0.430 591 L N -0.005 121.199 121.223 -0.032 0.000 2.046 591 L HA -0.120 4.221 4.340 0.001 0.000 0.208 591 L C 1.987 178.865 176.870 0.014 0.000 1.077 591 L CA 1.933 56.743 54.840 -0.049 0.000 0.747 591 L CB -0.952 41.064 42.059 -0.072 0.000 0.896 591 L HN 0.574 nan 8.230 nan 0.000 0.432 592 W N 0.655 121.892 121.300 -0.105 0.000 2.332 592 W HA -0.215 4.445 4.660 0.001 0.000 0.321 592 W C 2.044 178.534 176.519 -0.049 0.000 1.219 592 W CA 1.791 59.082 57.345 -0.090 0.000 1.277 592 W CB -0.135 29.279 29.460 -0.077 0.000 1.161 592 W HN 0.193 nan 8.180 nan 0.000 0.476 593 E N -0.086 120.018 120.200 -0.160 0.000 2.110 593 E HA -0.200 4.150 4.350 0.001 0.000 0.193 593 E C 2.144 178.605 176.600 -0.231 0.000 0.988 593 E CA 2.657 58.883 56.400 -0.289 0.000 0.804 593 E CB -0.897 28.735 29.700 -0.114 0.000 0.745 593 E HN 0.480 nan 8.360 nan 0.000 0.458 594 T N -2.790 111.685 114.554 -0.132 0.000 3.035 594 T HA 0.052 4.403 4.350 0.001 0.000 0.259 594 T C 1.723 176.379 174.700 -0.074 0.000 1.078 594 T CA 1.272 63.324 62.100 -0.080 0.000 1.132 594 T CB 0.100 68.950 68.868 -0.031 0.000 0.900 594 T HN -0.009 nan 8.240 nan 0.000 0.480 595 T N 0.207 114.700 114.554 -0.102 0.000 3.010 595 T HA 0.417 4.768 4.350 0.001 0.000 0.252 595 T C 1.644 176.302 174.700 -0.070 0.000 0.963 595 T CA -0.148 61.919 62.100 -0.055 0.000 0.952 595 T CB 0.127 68.982 68.868 -0.022 0.000 1.182 595 T HN 0.204 nan 8.240 nan 0.000 0.495 596 M N 0.810 120.295 119.600 -0.191 0.000 2.571 596 M HA 0.303 4.784 4.480 0.001 0.000 0.259 596 M C 0.509 176.533 176.300 -0.460 0.000 1.205 596 M CA -0.033 55.138 55.300 -0.215 0.000 1.138 596 M CB 0.138 32.621 32.600 -0.194 0.000 1.329 596 M HN -0.004 nan 8.290 nan 0.000 0.503 597 N N 3.109 121.213 118.700 -0.995 0.000 2.438 597 N HA 0.056 4.796 4.740 0.001 0.000 0.267 597 N C -1.897 173.324 175.510 -0.482 0.000 1.222 597 N CA -1.570 50.696 53.050 -1.307 0.000 0.930 597 N CB 0.981 38.558 38.487 -1.517 0.000 1.083 597 N HN -0.032 nan 8.380 nan 0.000 0.476 598 P HA -0.115 nan 4.420 nan 0.000 0.222 598 P C 0.359 177.560 177.300 -0.165 0.000 1.147 598 P CA 1.217 64.230 63.100 -0.145 0.000 0.790 598 P CB 0.415 32.076 31.700 -0.066 0.000 0.780 599 E N -1.111 118.958 120.200 -0.217 0.000 2.152 599 E HA -0.148 4.203 4.350 0.001 0.000 0.192 599 E C 1.208 177.482 176.600 -0.542 0.000 0.983 599 E CA 0.994 57.177 56.400 -0.362 0.000 0.818 599 E CB -0.289 29.144 29.700 -0.445 0.000 0.758 599 E HN 0.552 nan 8.360 nan 0.000 0.467 600 H N -0.925 118.054 119.070 -0.151 0.000 3.058 600 H HA 0.129 4.686 4.556 0.001 0.000 0.258 600 H C 0.331 175.591 175.328 -0.113 0.000 1.015 600 H CA -0.351 55.624 56.048 -0.122 0.000 1.210 600 H CB 0.394 30.076 29.762 -0.133 0.000 1.481 600 H HN -0.036 nan 8.280 nan 0.000 0.492 601 R N 1.414 121.883 120.500 -0.050 0.000 2.738 601 R HA 0.518 4.859 4.340 0.001 0.000 0.268 601 R C -0.472 175.820 176.300 -0.013 0.000 1.062 601 R CA 0.045 56.119 56.100 -0.044 0.000 1.158 601 R CB 0.574 30.830 30.300 -0.073 0.000 1.046 601 R HN 0.080 nan 8.270 nan 0.000 0.493 602 A N 4.640 127.468 122.820 0.013 0.000 2.664 602 A HA 0.331 4.651 4.320 0.001 0.000 0.338 602 A C -0.301 177.316 177.584 0.055 0.000 1.280 602 A CA -0.882 51.173 52.037 0.030 0.000 0.809 602 A CB 0.333 19.354 19.000 0.034 0.000 1.114 602 A HN 0.626 nan 8.150 nan 0.000 0.479 603 L N 1.871 123.132 121.223 0.064 0.000 2.371 603 L HA 0.383 4.724 4.340 0.001 0.000 0.272 603 L C -0.319 176.652 176.870 0.167 0.000 1.124 603 L CA -0.345 54.564 54.840 0.115 0.000 0.816 603 L CB 1.209 43.317 42.059 0.082 0.000 1.129 603 L HN 0.500 nan 8.230 nan 0.000 0.448 604 L N 3.581 124.906 121.223 0.171 0.000 2.257 604 L HA 0.322 4.663 4.340 0.001 0.000 0.290 604 L C 0.146 177.075 176.870 0.098 0.000 1.044 604 L CA -0.193 54.721 54.840 0.124 0.000 0.810 604 L CB 1.196 43.304 42.059 0.083 0.000 1.193 604 L HN 0.621 nan 8.230 nan 0.000 0.425 605 Q N 2.760 122.564 119.800 0.007 0.000 2.295 605 Q HA 0.262 4.602 4.340 0.001 0.000 0.259 605 Q C -0.825 175.053 176.000 -0.203 0.000 0.976 605 Q CA -0.580 55.028 55.803 -0.325 0.000 0.923 605 Q CB 1.417 29.969 28.738 -0.310 0.000 1.185 605 Q HN 0.441 nan 8.270 nan 0.000 0.410 606 V N 5.721 125.496 119.914 -0.231 0.000 2.508 606 V HA 0.146 4.266 4.120 0.001 0.000 0.281 606 V C 0.050 176.094 176.094 -0.084 0.000 1.041 606 V CA 0.090 62.334 62.300 -0.093 0.000 1.016 606 V CB 0.816 32.621 31.823 -0.030 0.000 0.984 606 V HN 0.655 nan 8.190 nan 0.000 0.478 607 K N 4.480 124.859 120.400 -0.035 0.000 2.292 607 K HA 0.517 4.837 4.320 0.001 0.000 0.257 607 K C -0.939 175.668 176.600 0.011 0.000 0.940 607 K CA -0.923 55.351 56.287 -0.021 0.000 0.811 607 K CB 2.454 34.943 32.500 -0.019 0.000 1.120 607 K HN 0.471 nan 8.250 nan 0.000 0.428 608 L N 2.921 124.156 121.223 0.020 0.000 2.259 608 L HA 0.216 4.556 4.340 0.001 0.000 0.288 608 L C 1.033 177.920 176.870 0.029 0.000 1.051 608 L CA 0.289 55.160 54.840 0.052 0.000 0.824 608 L CB 0.974 43.085 42.059 0.086 0.000 1.206 608 L HN 0.655 nan 8.230 nan 0.000 0.429 609 E N 2.143 122.357 120.200 0.024 0.000 2.079 609 E HA 0.028 4.378 4.350 0.001 0.000 0.191 609 E C -0.411 176.199 176.600 0.016 0.000 0.961 609 E CA 0.688 57.096 56.400 0.013 0.000 0.823 609 E CB 0.405 30.109 29.700 0.006 0.000 0.789 609 E HN 0.680 nan 8.360 nan 0.000 0.459 610 D N -1.127 119.286 120.400 0.022 0.000 2.542 610 D HA 0.314 4.955 4.640 0.001 0.000 0.252 610 D C 0.108 176.435 176.300 0.045 0.000 1.222 610 D CA 0.062 54.076 54.000 0.023 0.000 0.895 610 D CB 1.478 42.284 40.800 0.010 0.000 1.207 610 D HN 0.115 nan 8.370 nan 0.000 0.558 611 A N 4.636 127.492 122.820 0.059 0.000 1.930 611 A HA -0.101 4.220 4.320 0.001 0.000 0.217 611 A C 2.009 179.653 177.584 0.099 0.000 1.175 611 A CA 0.834 52.936 52.037 0.108 0.000 0.627 611 A CB -0.365 18.677 19.000 0.069 0.000 0.815 611 A HN 0.677 nan 8.150 nan 0.000 0.443 612 I N 0.010 120.611 120.570 0.050 0.000 2.226 612 I HA -0.217 3.954 4.170 0.001 0.000 0.245 612 I C 2.406 178.538 176.117 0.025 0.000 1.100 612 I CA 1.847 63.168 61.300 0.035 0.000 1.374 612 I CB -1.463 36.547 38.000 0.016 0.000 1.057 612 I HN 0.559 nan 8.210 nan 0.000 0.413 613 E N 0.931 121.137 120.200 0.011 0.000 2.106 613 E HA -0.173 4.178 4.350 0.001 0.000 0.192 613 E C 2.314 178.889 176.600 -0.042 0.000 0.984 613 E CA 1.235 57.626 56.400 -0.016 0.000 0.806 613 E CB 0.112 29.800 29.700 -0.020 0.000 0.750 613 E HN 0.425 nan 8.360 nan 0.000 0.458 614 A N 1.435 124.240 122.820 -0.025 0.000 1.902 614 A HA -0.217 4.103 4.320 0.001 0.000 0.217 614 A C 1.792 179.360 177.584 -0.026 0.000 1.181 614 A CA 1.836 53.820 52.037 -0.088 0.000 0.623 614 A CB -0.535 18.400 19.000 -0.109 0.000 0.818 614 A HN 0.264 nan 8.150 nan 0.000 0.443 615 D N -0.213 120.237 120.400 0.083 0.000 2.104 615 D HA -0.186 4.454 4.640 0.001 0.000 0.194 615 D C 2.174 178.511 176.300 0.062 0.000 0.994 615 D CA 1.753 55.837 54.000 0.141 0.000 0.830 615 D CB -0.508 40.365 40.800 0.123 0.000 0.959 615 D HN 0.659 nan 8.370 nan 0.000 0.452 616 Q N -0.164 119.639 119.800 0.004 0.000 2.119 616 Q HA -0.068 4.273 4.340 0.001 0.000 0.201 616 Q C 2.178 178.116 176.000 -0.103 0.000 0.972 616 Q CA 1.317 57.099 55.803 -0.035 0.000 0.847 616 Q CB -0.093 28.625 28.738 -0.033 0.000 0.903 616 Q HN 0.221 nan 8.270 nan 0.000 0.433 617 T N 0.527 114.983 114.554 -0.164 0.000 2.737 617 T HA -0.110 4.240 4.350 0.001 0.000 0.265 617 T C 1.376 175.829 174.700 -0.412 0.000 1.038 617 T CA 1.128 63.028 62.100 -0.332 0.000 1.144 617 T CB -0.312 68.308 68.868 -0.414 0.000 0.866 617 T HN 0.177 nan 8.240 nan 0.000 0.434 618 F N 1.283 121.068 119.950 -0.275 0.000 2.186 618 F HA -0.006 4.522 4.527 0.001 0.000 0.299 618 F C 2.592 178.279 175.800 -0.188 0.000 1.090 618 F CA 1.120 58.973 58.000 -0.244 0.000 1.307 618 F CB -0.193 38.672 39.000 -0.225 0.000 1.019 618 F HN 0.196 nan 8.300 nan 0.000 0.489 619 E N 0.361 120.576 120.200 0.024 0.000 2.047 619 E HA -0.258 4.092 4.350 0.001 0.000 0.191 619 E C 2.288 178.836 176.600 -0.086 0.000 0.987 619 E CA 1.219 57.610 56.400 -0.015 0.000 0.799 619 E CB -0.156 29.543 29.700 -0.002 0.000 0.752 619 E HN 0.419 nan 8.360 nan 0.000 0.449 620 M N 0.409 119.923 119.600 -0.143 0.000 2.067 620 M HA -0.186 4.295 4.480 0.001 0.000 0.260 620 M C 2.032 178.158 176.300 -0.289 0.000 1.069 620 M CA 1.556 56.746 55.300 -0.184 0.000 1.117 620 M CB -0.018 32.453 32.600 -0.215 0.000 1.334 620 M HN 0.168 nan 8.290 nan 0.000 0.407 621 L N -0.339 120.601 121.223 -0.472 0.000 2.072 621 L HA -0.140 4.201 4.340 0.001 0.000 0.205 621 L C 2.155 178.605 176.870 -0.700 0.000 1.079 621 L CA 0.756 55.128 54.840 -0.780 0.000 0.752 621 L CB -0.429 41.019 42.059 -1.018 0.000 0.906 621 L HN 0.431 nan 8.230 nan 0.000 0.436 622 M N -0.685 118.689 119.600 -0.376 0.000 2.382 622 M HA 0.252 4.732 4.480 0.001 0.000 0.247 622 M C 1.101 177.376 176.300 -0.042 0.000 1.104 622 M CA 0.045 55.245 55.300 -0.167 0.000 1.030 622 M CB -0.851 31.729 32.600 -0.034 0.000 1.424 622 M HN 0.031 nan 8.290 nan 0.000 0.486 623 G N 0.890 109.658 108.800 -0.053 0.000 2.651 623 G HA2 0.182 4.142 3.960 0.001 0.000 0.260 623 G HA3 0.182 4.142 3.960 0.001 0.000 0.260 623 G C -0.088 174.819 174.900 0.012 0.000 1.216 623 G CA -0.299 44.797 45.100 -0.007 0.000 0.913 623 G HN 0.237 nan 8.290 nan 0.000 0.535 624 D N -1.200 119.214 120.400 0.022 0.000 2.317 624 D HA -0.019 4.622 4.640 0.001 0.000 0.211 624 D C 1.120 177.438 176.300 0.030 0.000 0.966 624 D CA 0.311 54.330 54.000 0.032 0.000 0.876 624 D CB 0.105 40.923 40.800 0.030 0.000 0.927 624 D HN 0.093 nan 8.370 nan 0.000 0.519 625 V N 1.810 121.736 119.914 0.020 0.000 2.370 625 V HA -0.003 4.117 4.120 0.001 0.000 0.257 625 V C 1.580 177.693 176.094 0.031 0.000 1.064 625 V CA -0.153 62.160 62.300 0.023 0.000 0.975 625 V CB 1.092 32.924 31.823 0.015 0.000 1.067 625 V HN -0.048 nan 8.190 nan 0.000 0.485 626 V N 3.569 123.509 119.914 0.043 0.000 2.295 626 V HA -0.190 3.930 4.120 0.001 0.000 0.246 626 V C 2.466 178.598 176.094 0.063 0.000 1.049 626 V CA 2.093 64.429 62.300 0.059 0.000 1.024 626 V CB -0.418 31.440 31.823 0.059 0.000 0.648 626 V HN 0.954 nan 8.190 nan 0.000 0.447 627 E N 1.273 121.504 120.200 0.051 0.000 2.097 627 E HA -0.239 4.111 4.350 0.001 0.000 0.196 627 E C 1.935 178.573 176.600 0.063 0.000 1.000 627 E CA 1.911 58.343 56.400 0.053 0.000 0.804 627 E CB -0.397 29.327 29.700 0.041 0.000 0.740 627 E HN 0.615 nan 8.360 nan 0.000 0.454 628 N N -0.034 118.698 118.700 0.053 0.000 2.270 628 N HA -0.136 4.605 4.740 0.001 0.000 0.181 628 N C 1.811 177.378 175.510 0.094 0.000 1.016 628 N CA 1.175 54.260 53.050 0.058 0.000 0.870 628 N CB -0.349 38.153 38.487 0.025 0.000 0.979 628 N HN 0.240 nan 8.380 nan 0.000 0.431 629 R N 1.273 121.825 120.500 0.086 0.000 2.073 629 R HA 0.064 4.405 4.340 0.001 0.000 0.229 629 R C 2.259 178.695 176.300 0.226 0.000 1.120 629 R CA 0.745 56.930 56.100 0.142 0.000 0.967 629 R CB 0.016 30.383 30.300 0.111 0.000 0.862 629 R HN 0.064 nan 8.270 nan 0.000 0.436 630 R N 0.210 120.803 120.500 0.156 0.000 2.073 630 R HA -0.198 4.142 4.340 0.001 0.000 0.234 630 R C 2.237 178.611 176.300 0.125 0.000 1.134 630 R CA 2.044 58.224 56.100 0.134 0.000 0.952 630 R CB -0.181 30.174 30.300 0.092 0.000 0.850 630 R HN 0.216 nan 8.270 nan 0.000 0.433 631 Q N 0.050 119.920 119.800 0.117 0.000 2.096 631 Q HA -0.196 4.145 4.340 0.001 0.000 0.204 631 Q C 1.759 177.827 176.000 0.114 0.000 0.982 631 Q CA 2.015 57.876 55.803 0.097 0.000 0.850 631 Q CB -0.534 28.255 28.738 0.085 0.000 0.901 631 Q HN 0.427 nan 8.270 nan 0.000 0.422 632 F N -0.111 119.857 119.950 0.029 0.000 2.134 632 F HA -0.144 4.383 4.527 0.001 0.000 0.299 632 F C 1.630 177.452 175.800 0.036 0.000 1.097 632 F CA 1.475 59.490 58.000 0.026 0.000 1.264 632 F CB -0.205 38.807 39.000 0.020 0.000 1.001 632 F HN 0.129 nan 8.300 nan 0.000 0.479 633 I N 0.422 121.005 120.570 0.021 0.000 2.142 633 I HA -0.285 3.885 4.170 0.001 0.000 0.240 633 I C 2.558 178.598 176.117 -0.128 0.000 1.078 633 I CA 1.897 63.143 61.300 -0.090 0.000 1.343 633 I CB -0.764 37.291 38.000 0.091 0.000 1.046 633 I HN 0.258 nan 8.210 nan 0.000 0.405 634 E N 1.138 121.323 120.200 -0.025 0.000 2.058 634 E HA -0.288 4.063 4.350 0.001 0.000 0.194 634 E C 1.564 178.134 176.600 -0.050 0.000 0.997 634 E CA 1.866 58.269 56.400 0.005 0.000 0.801 634 E CB 0.026 29.746 29.700 0.033 0.000 0.746 634 E HN 0.421 nan 8.360 nan 0.000 0.450 635 D N -0.126 120.215 120.400 -0.097 0.000 2.264 635 D HA -0.076 4.564 4.640 0.001 0.000 0.208 635 D C 1.166 177.355 176.300 -0.185 0.000 0.966 635 D CA 0.705 54.638 54.000 -0.112 0.000 0.864 635 D CB -0.081 40.667 40.800 -0.086 0.000 0.933 635 D HN 0.230 nan 8.370 nan 0.000 0.499 636 N N -0.214 118.291 118.700 -0.326 0.000 2.227 636 N HA 0.126 4.867 4.740 0.001 0.000 0.196 636 N C 0.229 175.553 175.510 -0.311 0.000 1.142 636 N CA -0.059 52.772 53.050 -0.364 0.000 0.887 636 N CB 1.096 39.191 38.487 -0.654 0.000 1.022 636 N HN -0.038 nan 8.380 nan 0.000 0.500 637 A N 1.297 123.928 122.820 -0.315 0.000 2.488 637 A HA 0.345 4.665 4.320 0.001 0.000 0.249 637 A C 0.200 177.537 177.584 -0.411 0.000 1.083 637 A CA 0.144 51.923 52.037 -0.431 0.000 0.768 637 A CB 0.390 19.037 19.000 -0.588 0.000 1.017 637 A HN -0.029 nan 8.150 nan 0.000 0.496 638 V N 4.496 124.161 119.914 -0.414 0.000 2.305 638 V HA 0.137 4.257 4.120 0.001 0.000 0.275 638 V C -1.102 174.837 176.094 -0.258 0.000 1.020 638 V CA -0.268 61.885 62.300 -0.245 0.000 0.811 638 V CB 0.062 31.806 31.823 -0.132 0.000 1.031 638 V HN 0.762 nan 8.190 nan 0.000 0.439 639 Y N 3.962 124.238 120.300 -0.039 0.000 2.576 639 Y HA 0.545 5.095 4.550 0.001 0.000 0.348 639 Y C 0.815 176.697 175.900 -0.030 0.000 1.212 639 Y CA 0.632 58.710 58.100 -0.037 0.000 1.683 639 Y CB 0.162 38.597 38.460 -0.041 0.000 1.484 639 Y HN 0.801 nan 8.280 nan 0.000 0.477 1011 E N 0.706 120.923 120.200 0.029 0.000 2.393 1011 E HA 0.789 5.140 4.350 0.001 0.000 0.265 1011 E C -1.002 175.606 176.600 0.012 0.000 0.941 1011 E CA -0.952 55.455 56.400 0.012 0.000 0.801 1011 E CB 2.406 32.105 29.700 -0.002 0.000 1.313 1011 E HN 0.319 nan 8.360 nan 0.000 0.435 1012 R N 1.345 121.846 120.500 0.001 0.000 2.512 1012 R HA 0.212 4.552 4.340 0.001 0.000 0.291 1012 R C -1.423 174.880 176.300 0.005 0.000 1.097 1012 R CA -0.506 55.600 56.100 0.011 0.000 0.940 1012 R CB 1.035 31.350 30.300 0.024 0.000 1.198 1012 R HN 0.672 nan 8.270 nan 0.000 0.429 1013 N N 5.109 123.812 118.700 0.005 0.000 2.447 1013 N HA -0.048 4.692 4.740 0.001 0.000 0.263 1013 N C 0.981 176.490 175.510 -0.001 0.000 1.226 1013 N CA 0.293 53.344 53.050 0.001 0.000 0.906 1013 N CB 0.662 39.148 38.487 -0.002 0.000 1.060 1013 N HN 0.873 nan 8.380 nan 0.000 0.468 1014 I N 3.310 123.884 120.570 0.008 0.000 2.208 1014 I HA -0.303 3.867 4.170 0.001 0.000 0.245 1014 I C 1.673 177.741 176.117 -0.081 0.000 1.097 1014 I CA 1.264 62.571 61.300 0.012 0.000 1.363 1014 I CB 0.015 38.069 38.000 0.090 0.000 1.051 1014 I HN 0.570 nan 8.210 nan 0.000 0.413 1015 T N 0.127 114.621 114.554 -0.099 0.000 2.674 1015 T HA -0.165 4.186 4.350 0.001 0.000 0.265 1015 T C 1.988 176.614 174.700 -0.123 0.000 1.039 1015 T CA 1.924 63.924 62.100 -0.166 0.000 1.150 1015 T CB -0.153 68.646 68.868 -0.115 0.000 0.864 1015 T HN 0.403 nan 8.240 nan 0.000 0.427 1016 S N 0.917 116.584 115.700 -0.055 0.000 2.370 1016 S HA -0.142 4.328 4.470 0.001 0.000 0.226 1016 S C 2.062 176.658 174.600 -0.008 0.000 1.033 1016 S CA 1.418 59.608 58.200 -0.016 0.000 1.011 1016 S CB -0.320 62.880 63.200 0.001 0.000 0.852 1016 S HN 0.531 nan 8.310 nan 0.000 0.457 1017 E N 1.594 121.784 120.200 -0.016 0.000 2.051 1017 E HA -0.101 4.249 4.350 0.001 0.000 0.192 1017 E C 1.996 178.592 176.600 -0.007 0.000 0.991 1017 E CA 1.237 57.641 56.400 0.008 0.000 0.799 1017 E CB -0.298 29.416 29.700 0.023 0.000 0.748 1017 E HN 0.237 nan 8.360 nan 0.000 0.449 1018 M N 0.325 119.865 119.600 -0.100 0.000 2.080 1018 M HA -0.114 4.366 4.480 0.001 0.000 0.260 1018 M C 2.340 178.590 176.300 -0.083 0.000 1.068 1018 M CA 1.690 56.885 55.300 -0.175 0.000 1.109 1018 M CB -0.945 31.342 32.600 -0.523 0.000 1.342 1018 M HN 0.136 nan 8.290 nan 0.000 0.405 1019 R N -0.041 120.408 120.500 -0.084 0.000 2.073 1019 R HA -0.149 4.191 4.340 0.001 0.000 0.234 1019 R C 2.151 178.594 176.300 0.237 0.000 1.134 1019 R CA 1.524 57.663 56.100 0.064 0.000 0.952 1019 R CB -0.307 30.061 30.300 0.112 0.000 0.850 1019 R HN 0.535 nan 8.270 nan 0.000 0.433 1020 E N 0.020 120.305 120.200 0.142 0.000 2.046 1020 E HA -0.088 4.262 4.350 0.001 0.000 0.190 1020 E C 2.158 178.841 176.600 0.139 0.000 0.982 1020 E CA 1.230 57.708 56.400 0.130 0.000 0.800 1020 E CB 0.040 29.788 29.700 0.080 0.000 0.756 1020 E HN 0.163 nan 8.360 nan 0.000 0.449 1021 S N 0.634 116.414 115.700 0.134 0.000 2.356 1021 S HA -0.142 4.329 4.470 0.001 0.000 0.223 1021 S C 1.662 176.384 174.600 0.203 0.000 1.032 1021 S CA 0.871 59.159 58.200 0.146 0.000 1.005 1021 S CB -0.296 62.982 63.200 0.130 0.000 0.867 1021 S HN 0.231 nan 8.310 nan 0.000 0.449 1022 F N 1.785 121.800 119.950 0.108 0.000 2.146 1022 F HA -0.037 4.490 4.527 0.001 0.000 0.298 1022 F C 1.921 177.847 175.800 0.210 0.000 1.096 1022 F CA 0.769 58.863 58.000 0.157 0.000 1.275 1022 F CB -0.308 38.728 39.000 0.060 0.000 1.008 1022 F HN 0.123 nan 8.300 nan 0.000 0.480 1023 L N 0.477 121.918 121.223 0.364 0.000 2.046 1023 L HA -0.220 4.121 4.340 0.001 0.000 0.208 1023 L C 1.932 178.829 176.870 0.045 0.000 1.077 1023 L CA 1.984 56.972 54.840 0.246 0.000 0.747 1023 L CB -1.059 41.134 42.059 0.223 0.000 0.896 1023 L HN 0.021 nan 8.230 nan 0.000 0.432 1024 D N -1.569 118.866 120.400 0.059 0.000 2.104 1024 D HA -0.265 4.375 4.640 0.001 0.000 0.194 1024 D C 1.992 178.291 176.300 -0.001 0.000 0.994 1024 D CA 1.699 55.714 54.000 0.024 0.000 0.830 1024 D CB -0.306 40.531 40.800 0.061 0.000 0.959 1024 D HN 0.488 nan 8.370 nan 0.000 0.452 1025 Y N 1.478 121.691 120.300 -0.146 0.000 2.163 1025 Y HA -0.121 4.430 4.550 0.001 0.000 0.288 1025 Y C 2.242 177.960 175.900 -0.304 0.000 1.136 1025 Y CA 1.681 59.639 58.100 -0.238 0.000 1.147 1025 Y CB -0.567 37.686 38.460 -0.346 0.000 0.987 1025 Y HN -0.055 nan 8.280 nan 0.000 0.509 1026 A N 0.697 123.252 122.820 -0.441 0.000 1.873 1026 A HA -0.267 4.053 4.320 0.001 0.000 0.218 1026 A C 2.355 179.766 177.584 -0.288 0.000 1.193 1026 A CA 2.432 54.214 52.037 -0.426 0.000 0.629 1026 A CB -0.936 17.941 19.000 -0.204 0.000 0.826 1026 A HN 0.600 nan 8.150 nan 0.000 0.447 1027 M N -0.944 118.543 119.600 -0.189 0.000 2.117 1027 M HA -0.140 4.341 4.480 0.001 0.000 0.262 1027 M C 2.552 178.771 176.300 -0.134 0.000 1.065 1027 M CA 1.750 56.966 55.300 -0.141 0.000 1.114 1027 M CB -0.381 32.122 32.600 -0.163 0.000 1.361 1027 M HN 0.534 nan 8.290 nan 0.000 0.408 1028 S N 0.179 115.773 115.700 -0.177 0.000 2.368 1028 S HA -0.110 4.360 4.470 0.001 0.000 0.225 1028 S C 1.807 176.286 174.600 -0.201 0.000 1.030 1028 S CA 1.237 59.347 58.200 -0.150 0.000 0.999 1028 S CB -0.192 62.935 63.200 -0.121 0.000 0.844 1028 S HN 0.282 nan 8.310 nan 0.000 0.459 1029 V N 1.822 121.515 119.914 -0.369 0.000 2.427 1029 V HA -0.124 3.996 4.120 0.001 0.000 0.248 1029 V C 2.222 178.206 176.094 -0.184 0.000 1.051 1029 V CA 1.786 63.878 62.300 -0.347 0.000 1.048 1029 V CB -0.582 30.900 31.823 -0.568 0.000 0.666 1029 V HN 0.498 nan 8.190 nan 0.000 0.456 1030 I N 0.501 120.982 120.570 -0.148 0.000 2.163 1030 I HA -0.161 4.009 4.170 0.001 0.000 0.240 1030 I C 2.281 178.388 176.117 -0.018 0.000 1.081 1030 I CA 1.928 63.195 61.300 -0.055 0.000 1.353 1030 I CB -0.307 37.691 38.000 -0.002 0.000 1.054 1030 I HN 0.366 nan 8.210 nan 0.000 0.407 1031 V N -2.167 117.749 119.914 0.002 0.000 3.354 1031 V HA 0.370 4.490 4.120 0.001 0.000 0.258 1031 V C 1.175 177.271 176.094 0.003 0.000 1.159 1031 V CA 0.751 63.065 62.300 0.023 0.000 1.125 1031 V CB 0.112 31.988 31.823 0.089 0.000 0.774 1031 V HN 0.277 nan 8.190 nan 0.000 0.464 1032 A N -0.165 122.646 122.820 -0.014 0.000 2.806 1032 A HA 0.738 5.058 4.320 0.001 0.000 0.266 1032 A C 0.987 178.567 177.584 -0.008 0.000 0.926 1032 A CA 0.239 52.279 52.037 0.005 0.000 1.068 1032 A CB 0.249 19.262 19.000 0.022 0.000 1.189 1032 A HN 0.490 nan 8.150 nan 0.000 0.481 1033 R N -2.077 118.409 120.500 -0.023 0.000 4.886 1033 R HA 0.239 4.580 4.340 0.001 0.000 0.061 1033 R C 1.324 177.621 176.300 -0.004 0.000 0.723 1033 R CA 0.983 57.064 56.100 -0.031 0.000 1.620 1033 R CB -0.620 29.616 30.300 -0.107 0.000 1.411 1033 R HN 0.403 nan 8.270 nan 0.000 0.410 1034 A N 1.465 124.269 122.820 -0.026 0.000 2.195 1034 A HA 0.416 4.736 4.320 0.001 0.000 0.210 1034 A C 0.405 177.998 177.584 0.015 0.000 1.165 1034 A CA 0.034 52.070 52.037 -0.001 0.000 0.806 1034 A CB 0.205 19.190 19.000 -0.026 0.000 0.847 1034 A HN 0.148 nan 8.150 nan 0.000 0.482 1035 L N 1.321 122.547 121.223 0.005 0.000 2.329 1035 L HA 0.419 4.759 4.340 0.001 0.000 0.279 1035 L C -2.503 174.367 176.870 0.001 0.000 1.014 1035 L CA -2.367 52.474 54.840 0.002 0.000 0.814 1035 L CB 2.184 44.236 42.059 -0.012 0.000 1.257 1035 L HN 0.020 nan 8.230 nan 0.000 0.424 1036 P HA 0.091 nan 4.420 nan 0.000 0.279 1036 P C -1.276 175.997 177.300 -0.046 0.000 1.252 1036 P CA -0.424 62.665 63.100 -0.018 0.000 0.811 1036 P CB 1.246 32.931 31.700 -0.024 0.000 1.035 1037 D N 0.800 121.161 120.400 -0.065 0.000 2.256 1037 D HA -0.000 4.640 4.640 0.001 0.000 0.250 1037 D C 1.141 177.376 176.300 -0.108 0.000 1.093 1037 D CA -0.387 53.552 54.000 -0.102 0.000 0.882 1037 D CB 1.898 42.623 40.800 -0.124 0.000 1.185 1037 D HN -0.023 nan 8.370 nan 0.000 0.437 1038 V N 5.362 125.204 119.914 -0.121 0.000 2.490 1038 V HA -0.216 3.905 4.120 0.001 0.000 0.250 1038 V C 2.260 178.311 176.094 -0.072 0.000 1.061 1038 V CA 1.717 63.966 62.300 -0.086 0.000 1.064 1038 V CB -0.214 31.551 31.823 -0.097 0.000 0.670 1038 V HN 0.522 nan 8.190 nan 0.000 0.461 1039 R N 0.806 121.208 120.500 -0.164 0.000 2.057 1039 R HA -0.073 4.267 4.340 0.001 0.000 0.229 1039 R C 1.772 177.983 176.300 -0.148 0.000 1.136 1039 R CA 1.800 57.744 56.100 -0.261 0.000 0.952 1039 R CB -0.348 29.525 30.300 -0.711 0.000 0.848 1039 R HN 0.757 nan 8.270 nan 0.000 0.430 1040 D N -1.972 118.321 120.400 -0.179 0.000 2.433 1040 D HA 0.109 4.750 4.640 0.001 0.000 0.211 1040 D C 0.979 177.196 176.300 -0.138 0.000 1.114 1040 D CA 0.535 54.457 54.000 -0.131 0.000 0.837 1040 D CB 0.556 41.284 40.800 -0.121 0.000 0.984 1040 D HN 0.269 nan 8.370 nan 0.000 0.505 1041 G N 0.489 109.220 108.800 -0.115 0.000 2.155 1041 G HA2 -0.265 3.695 3.960 0.001 0.000 0.257 1041 G HA3 -0.265 3.695 3.960 0.001 0.000 0.257 1041 G C -0.084 174.772 174.900 -0.073 0.000 0.983 1041 G CA 0.640 45.684 45.100 -0.094 0.000 0.676 1041 G HN 0.417 nan 8.290 nan 0.000 0.528 1042 L N -0.601 120.585 121.223 -0.061 0.000 2.330 1042 L HA 0.621 4.961 4.340 0.001 0.000 0.271 1042 L C 0.646 177.528 176.870 0.020 0.000 1.013 1042 L CA -1.136 53.692 54.840 -0.019 0.000 0.816 1042 L CB 1.564 43.627 42.059 0.006 0.000 1.287 1042 L HN -0.012 nan 8.230 nan 0.000 0.435 1043 K N 1.693 122.162 120.400 0.114 0.000 2.090 1043 K HA 0.328 4.649 4.320 0.001 0.000 0.249 1043 K C -1.808 174.875 176.600 0.137 0.000 0.995 1043 K CA -1.607 54.769 56.287 0.148 0.000 0.914 1043 K CB 1.079 33.730 32.500 0.253 0.000 1.057 1043 K HN 0.181 nan 8.250 nan 0.000 0.462 1044 P HA -0.224 nan 4.420 nan 0.000 0.215 1044 P C 1.466 178.768 177.300 0.003 0.000 1.157 1044 P CA 0.779 63.923 63.100 0.074 0.000 0.874 1044 P CB 0.164 31.942 31.700 0.130 0.000 0.790 1045 V N -0.437 119.408 119.914 -0.114 0.000 2.282 1045 V HA -0.322 3.798 4.120 0.001 0.000 0.249 1045 V C 2.060 177.956 176.094 -0.330 0.000 1.057 1045 V CA 2.300 64.298 62.300 -0.504 0.000 1.032 1045 V CB -1.139 30.326 31.823 -0.597 0.000 0.645 1045 V HN 0.179 nan 8.190 nan 0.000 0.447 1046 H N -0.347 118.684 119.070 -0.066 0.000 2.389 1046 H HA -0.093 4.463 4.556 0.001 0.000 0.299 1046 H C 2.441 177.759 175.328 -0.015 0.000 1.081 1046 H CA 1.958 57.994 56.048 -0.020 0.000 1.345 1046 H CB -0.218 29.562 29.762 0.030 0.000 1.393 1046 H HN 0.348 nan 8.280 nan 0.000 0.520 1047 R N 1.071 121.627 120.500 0.093 0.000 2.075 1047 R HA -0.071 4.269 4.340 0.001 0.000 0.232 1047 R C 2.000 178.308 176.300 0.014 0.000 1.126 1047 R CA 1.232 57.352 56.100 0.033 0.000 0.963 1047 R CB 0.082 30.373 30.300 -0.014 0.000 0.858 1047 R HN 0.266 nan 8.270 nan 0.000 0.435 1048 R N -0.057 120.439 120.500 -0.006 0.000 2.115 1048 R HA -0.036 4.305 4.340 0.001 0.000 0.230 1048 R C 2.290 178.637 176.300 0.077 0.000 1.111 1048 R CA 1.353 57.456 56.100 0.005 0.000 0.976 1048 R CB -0.231 30.119 30.300 0.083 0.000 0.870 1048 R HN 0.277 nan 8.270 nan 0.000 0.445 1049 I N 0.795 121.393 120.570 0.046 0.000 2.142 1049 I HA -0.296 3.874 4.170 0.001 0.000 0.240 1049 I C 2.105 178.272 176.117 0.083 0.000 1.078 1049 I CA 1.405 62.747 61.300 0.070 0.000 1.343 1049 I CB -0.228 37.789 38.000 0.029 0.000 1.046 1049 I HN 0.134 nan 8.210 nan 0.000 0.405 1050 L N -0.721 120.548 121.223 0.077 0.000 2.083 1050 L HA -0.248 4.092 4.340 0.001 0.000 0.209 1050 L C 2.679 179.603 176.870 0.091 0.000 1.083 1050 L CA 1.361 56.246 54.840 0.075 0.000 0.752 1050 L CB -0.822 41.280 42.059 0.071 0.000 0.899 1050 L HN 0.268 nan 8.230 nan 0.000 0.433 1051 Y N 1.097 121.371 120.300 -0.044 0.000 2.242 1051 Y HA -0.119 4.432 4.550 0.001 0.000 0.291 1051 Y C 2.311 178.202 175.900 -0.015 0.000 1.137 1051 Y CA 1.285 59.341 58.100 -0.073 0.000 1.181 1051 Y CB -0.546 37.792 38.460 -0.203 0.000 0.989 1051 Y HN 0.042 nan 8.280 nan 0.000 0.527 1052 G N 0.429 109.228 108.800 -0.002 0.000 2.418 1052 G HA2 -0.227 3.733 3.960 0.001 0.000 0.217 1052 G HA3 -0.227 3.733 3.960 0.001 0.000 0.217 1052 G C 1.683 176.588 174.900 0.009 0.000 1.158 1052 G CA 1.152 46.306 45.100 0.091 0.000 0.771 1052 G HN 0.450 nan 8.290 nan 0.000 0.545 1053 L N 0.334 121.570 121.223 0.023 0.000 2.083 1053 L HA -0.121 4.220 4.340 0.001 0.000 0.209 1053 L C 2.701 179.557 176.870 -0.022 0.000 1.083 1053 L CA 1.209 56.059 54.840 0.016 0.000 0.752 1053 L CB -0.474 41.605 42.059 0.033 0.000 0.899 1053 L HN 0.304 nan 8.230 nan 0.000 0.433 1054 N N -0.085 118.581 118.700 -0.057 0.000 2.106 1054 N HA -0.186 4.555 4.740 0.001 0.000 0.188 1054 N C 1.716 177.157 175.510 -0.116 0.000 1.029 1054 N CA 0.982 53.991 53.050 -0.068 0.000 0.848 1054 N CB 0.189 38.652 38.487 -0.040 0.000 1.007 1054 N HN 0.278 nan 8.380 nan 0.000 0.423 1055 E N 0.552 120.605 120.200 -0.245 0.000 2.160 1055 E HA -0.140 4.211 4.350 0.001 0.000 0.195 1055 E C 1.023 177.571 176.600 -0.087 0.000 0.991 1055 E CA 0.950 57.219 56.400 -0.217 0.000 0.810 1055 E CB -0.037 29.467 29.700 -0.326 0.000 0.742 1055 E HN 0.472 nan 8.360 nan 0.000 0.466 1056 Q N -0.665 119.103 119.800 -0.054 0.000 2.222 1056 Q HA 0.168 4.508 4.340 0.001 0.000 0.206 1056 Q C 0.661 176.654 176.000 -0.012 0.000 0.877 1056 Q CA 0.347 56.139 55.803 -0.018 0.000 0.958 1056 Q CB 0.730 29.471 28.738 0.005 0.000 1.075 1056 Q HN 0.315 nan 8.270 nan 0.000 0.483 1057 G N 2.014 110.801 108.800 -0.020 0.000 2.305 1057 G HA2 -0.300 3.661 3.960 0.001 0.000 0.287 1057 G HA3 -0.300 3.661 3.960 0.001 0.000 0.287 1057 G C 0.320 175.215 174.900 -0.009 0.000 1.036 1057 G CA 0.346 45.439 45.100 -0.012 0.000 0.887 1057 G HN 0.360 nan 8.290 nan 0.000 0.505 1058 M N 2.145 121.741 119.600 -0.007 0.000 3.709 1058 M HA 0.159 4.640 4.480 0.001 0.000 0.202 1058 M C 1.287 177.575 176.300 -0.021 0.000 1.360 1058 M CA 0.514 55.810 55.300 -0.007 0.000 1.600 1058 M CB -0.450 32.158 32.600 0.014 0.000 1.061 1058 M HN 0.419 nan 8.290 nan 0.000 0.575 1059 T N -2.811 111.728 114.554 -0.026 0.000 2.828 1059 T HA 0.276 4.626 4.350 0.001 0.000 0.290 1059 T C -1.946 172.719 174.700 -0.058 0.000 1.019 1059 T CA -1.579 60.505 62.100 -0.027 0.000 1.031 1059 T CB 0.767 69.627 68.868 -0.013 0.000 1.001 1059 T HN 0.101 nan 8.240 nan 0.000 0.531 1060 P HA -0.091 nan 4.420 nan 0.000 0.218 1060 P C 1.243 178.487 177.300 -0.093 0.000 1.148 1060 P CA 1.004 64.054 63.100 -0.083 0.000 0.822 1060 P CB -0.046 31.635 31.700 -0.031 0.000 0.784 1061 D N -1.755 118.612 120.400 -0.055 0.000 2.317 1061 D HA -0.063 4.577 4.640 0.001 0.000 0.211 1061 D C 0.561 176.828 176.300 -0.055 0.000 0.966 1061 D CA 0.977 54.949 54.000 -0.046 0.000 0.876 1061 D CB -0.214 40.572 40.800 -0.022 0.000 0.927 1061 D HN 0.069 nan 8.370 nan 0.000 0.519 1062 K N 1.006 121.365 120.400 -0.068 0.000 2.132 1062 K HA 0.290 4.610 4.320 0.001 0.000 0.241 1062 K C 0.614 177.154 176.600 -0.099 0.000 1.000 1062 K CA -0.559 55.693 56.287 -0.058 0.000 0.911 1062 K CB 1.345 33.824 32.500 -0.036 0.000 1.093 1062 K HN 0.171 nan 8.250 nan 0.000 0.460 1063 S N 0.002 115.670 115.700 -0.052 0.000 2.584 1063 S HA 0.154 4.625 4.470 0.001 0.000 0.270 1063 S C -0.020 174.558 174.600 -0.037 0.000 1.346 1063 S CA -0.394 57.787 58.200 -0.033 0.000 1.018 1063 S CB -0.083 63.145 63.200 0.048 0.000 0.899 1063 S HN 0.302 nan 8.310 nan 0.000 0.542 1064 Y N 1.186 121.509 120.300 0.038 0.000 2.597 1064 Y HA 0.245 4.795 4.550 0.000 0.000 0.336 1064 Y C 1.100 177.034 175.900 0.056 0.000 1.216 1064 Y CA 0.317 58.447 58.100 0.050 0.000 1.463 1064 Y CB 0.567 39.066 38.460 0.064 0.000 1.303 1064 Y HN 0.450 nan 8.280 nan 0.000 0.576 1065 K N 2.907 123.437 120.400 0.218 0.000 2.203 1065 K HA 0.291 4.611 4.320 0.001 0.000 0.251 1065 K C -0.529 176.166 176.600 0.158 0.000 0.944 1065 K CA -1.207 55.168 56.287 0.147 0.000 0.829 1065 K CB 1.286 33.846 32.500 0.099 0.000 1.125 1065 K HN 0.420 nan 8.250 nan 0.000 0.430 1066 K N 1.402 121.868 120.400 0.110 0.000 2.472 1066 K HA 0.027 4.347 4.320 0.001 0.000 0.280 1066 K C 0.912 177.566 176.600 0.091 0.000 1.028 1066 K CA 0.260 56.599 56.287 0.087 0.000 1.045 1066 K CB 0.175 32.699 32.500 0.041 0.000 0.902 1066 K HN 0.501 nan 8.250 nan 0.000 0.478 1067 S N 2.279 118.043 115.700 0.107 0.000 2.383 1067 S HA -0.220 4.251 4.470 0.001 0.000 0.229 1067 S C 1.868 176.481 174.600 0.023 0.000 1.030 1067 S CA 1.515 59.789 58.200 0.123 0.000 1.002 1067 S CB -0.063 63.237 63.200 0.166 0.000 0.829 1067 S HN 0.755 nan 8.310 nan 0.000 0.467 1068 A N 2.167 124.955 122.820 -0.055 0.000 1.933 1068 A HA -0.164 4.157 4.320 0.001 0.000 0.218 1068 A C 2.072 179.643 177.584 -0.022 0.000 1.175 1068 A CA 1.761 53.748 52.037 -0.082 0.000 0.628 1068 A CB -0.527 18.404 19.000 -0.116 0.000 0.814 1068 A HN 0.634 nan 8.150 nan 0.000 0.444 1069 R N -0.065 120.438 120.500 0.004 0.000 2.090 1069 R HA 0.049 4.389 4.340 0.001 0.000 0.228 1069 R C 1.734 178.059 176.300 0.043 0.000 1.110 1069 R CA 1.680 57.791 56.100 0.019 0.000 0.973 1069 R CB -0.671 29.644 30.300 0.025 0.000 0.869 1069 R HN 0.431 nan 8.270 nan 0.000 0.440 1070 I N 0.910 121.520 120.570 0.067 0.000 2.142 1070 I HA -0.242 3.929 4.170 0.001 0.000 0.240 1070 I C 2.258 178.435 176.117 0.100 0.000 1.078 1070 I CA 1.236 62.593 61.300 0.094 0.000 1.343 1070 I CB -0.295 37.781 38.000 0.125 0.000 1.046 1070 I HN 0.024 nan 8.210 nan 0.000 0.405 1071 V N 1.148 121.118 119.914 0.094 0.000 2.295 1071 V HA -0.234 3.886 4.120 0.001 0.000 0.246 1071 V C 2.598 178.737 176.094 0.076 0.000 1.049 1071 V CA 2.258 64.616 62.300 0.097 0.000 1.024 1071 V CB -1.487 30.384 31.823 0.081 0.000 0.648 1071 V HN 0.599 nan 8.190 nan 0.000 0.447 1072 G N -0.313 108.512 108.800 0.042 0.000 2.421 1072 G HA2 -0.256 3.704 3.960 0.001 0.000 0.216 1072 G HA3 -0.256 3.704 3.960 0.001 0.000 0.216 1072 G C 1.227 176.147 174.900 0.033 0.000 1.171 1072 G CA 1.113 46.230 45.100 0.029 0.000 0.775 1072 G HN 0.514 nan 8.290 nan 0.000 0.543 1073 D N 0.141 120.563 120.400 0.037 0.000 2.117 1073 D HA -0.070 4.571 4.640 0.001 0.000 0.198 1073 D C 2.787 179.104 176.300 0.027 0.000 0.982 1073 D CA 0.648 54.660 54.000 0.019 0.000 0.828 1073 D CB -0.552 40.266 40.800 0.031 0.000 0.967 1073 D HN 0.191 nan 8.370 nan 0.000 0.464 1074 V N 1.175 121.162 119.914 0.122 0.000 2.343 1074 V HA -0.257 3.864 4.120 0.001 0.000 0.247 1074 V C 2.471 178.685 176.094 0.200 0.000 1.051 1074 V CA 1.640 64.081 62.300 0.235 0.000 1.036 1074 V CB -0.468 31.505 31.823 0.249 0.000 0.654 1074 V HN 0.204 nan 8.190 nan 0.000 0.451 1075 M N 0.526 120.214 119.600 0.147 0.000 2.086 1075 M HA -0.103 4.378 4.480 0.001 0.000 0.261 1075 M C 2.014 178.363 176.300 0.083 0.000 1.067 1075 M CA 2.423 57.798 55.300 0.125 0.000 1.116 1075 M CB -0.600 32.053 32.600 0.088 0.000 1.348 1075 M HN 0.349 nan 8.290 nan 0.000 0.407 1076 G N 0.091 108.925 108.800 0.056 0.000 2.408 1076 G HA2 -0.160 3.801 3.960 0.001 0.000 0.217 1076 G HA3 -0.160 3.801 3.960 0.001 0.000 0.217 1076 G C 1.557 176.502 174.900 0.074 0.000 1.150 1076 G CA 0.752 45.890 45.100 0.062 0.000 0.776 1076 G HN 0.464 nan 8.290 nan 0.000 0.542 1077 K N -1.255 119.077 120.400 -0.113 0.000 2.166 1077 K HA 0.136 4.456 4.320 0.001 0.000 0.201 1077 K C 1.564 178.009 176.600 -0.259 0.000 1.052 1077 K CA 0.826 56.869 56.287 -0.407 0.000 0.969 1077 K CB 0.144 32.019 32.500 -1.041 0.000 0.761 1077 K HN 0.487 nan 8.250 nan 0.000 0.459 1078 Y N -2.486 118.031 120.300 0.362 0.000 2.550 1078 Y HA 0.206 4.757 4.550 0.000 0.000 0.275 1078 Y C 0.231 176.349 175.900 0.363 0.000 1.148 1078 Y CA -0.462 57.866 58.100 0.379 0.000 1.200 1078 Y CB 0.393 39.032 38.460 0.298 0.000 1.299 1078 Y HN -0.051 nan 8.280 nan 0.000 0.509 1079 H N 3.094 122.307 119.070 0.238 0.000 2.791 1079 H HA 0.380 4.936 4.556 0.001 0.000 0.272 1079 H C -2.732 172.495 175.328 -0.167 0.000 1.188 1079 H CA -2.876 53.231 56.048 0.098 0.000 1.436 1079 H CB 1.321 31.203 29.762 0.200 0.000 1.467 1079 H HN -0.180 nan 8.280 nan 0.000 0.500 1080 P HA 0.097 nan 4.420 nan 0.000 0.226 1080 P C -0.671 176.020 177.300 -1.015 0.000 1.783 1080 P CA 0.402 62.947 63.100 -0.925 0.000 0.980 1080 P CB -0.046 30.864 31.700 -1.315 0.000 1.967 1081 H N -0.742 118.165 119.070 -0.271 0.000 2.960 1081 H HA 0.401 4.957 4.556 0.001 0.000 0.303 1081 H C 0.659 175.972 175.328 -0.025 0.000 1.412 1081 H CA -0.825 55.123 56.048 -0.167 0.000 1.227 1081 H CB 0.912 30.519 29.762 -0.258 0.000 1.912 1081 H HN 0.086 nan 8.280 nan 0.000 0.583 1082 G N 0.704 109.598 108.800 0.157 0.000 2.305 1082 G HA2 -0.059 3.901 3.960 0.001 0.000 0.243 1082 G HA3 -0.059 3.901 3.960 0.001 0.000 0.243 1082 G C 0.863 175.842 174.900 0.132 0.000 1.288 1082 G CA -0.000 45.167 45.100 0.113 0.000 0.901 1082 G HN 0.684 nan 8.290 nan 0.000 0.516 1083 D N 1.621 122.080 120.400 0.098 0.000 2.265 1083 D HA -0.237 4.403 4.640 0.001 0.000 0.208 1083 D C 2.252 178.630 176.300 0.130 0.000 0.977 1083 D CA 1.430 55.491 54.000 0.102 0.000 0.871 1083 D CB -0.225 40.606 40.800 0.051 0.000 0.925 1083 D HN 0.490 nan 8.370 nan 0.000 0.485 1084 S N 0.577 116.348 115.700 0.119 0.000 2.387 1084 S HA -0.104 4.366 4.470 0.001 0.000 0.226 1084 S C 2.201 176.881 174.600 0.133 0.000 1.026 1084 S CA 0.937 59.220 58.200 0.138 0.000 0.972 1084 S CB -0.266 62.995 63.200 0.103 0.000 0.814 1084 S HN 0.149 nan 8.310 nan 0.000 0.477 1085 S N 1.981 117.753 115.700 0.119 0.000 2.368 1085 S HA 0.109 4.579 4.470 0.001 0.000 0.225 1085 S C 1.772 176.415 174.600 0.072 0.000 1.030 1085 S CA 1.384 59.641 58.200 0.096 0.000 0.999 1085 S CB -0.512 62.759 63.200 0.118 0.000 0.844 1085 S HN 0.541 nan 8.310 nan 0.000 0.459 1086 I N -0.125 120.516 120.570 0.118 0.000 2.163 1086 I HA -0.176 3.994 4.170 0.001 0.000 0.240 1086 I C 2.282 178.462 176.117 0.105 0.000 1.081 1086 I CA 1.388 62.733 61.300 0.075 0.000 1.353 1086 I CB -0.459 37.622 38.000 0.135 0.000 1.054 1086 I HN 0.259 nan 8.210 nan 0.000 0.407 1087 Y N 2.032 122.346 120.300 0.024 0.000 2.145 1087 Y HA -0.256 4.294 4.550 0.000 0.000 0.286 1087 Y C 2.439 178.355 175.900 0.027 0.000 1.145 1087 Y CA 1.654 59.767 58.100 0.022 0.000 1.148 1087 Y CB -0.386 38.079 38.460 0.009 0.000 0.981 1087 Y HN 0.186 nan 8.280 nan 0.000 0.507 1088 E N -0.328 119.836 120.200 -0.059 0.000 2.110 1088 E HA -0.180 4.170 4.350 0.001 0.000 0.193 1088 E C 2.340 178.897 176.600 -0.072 0.000 0.988 1088 E CA 0.901 57.228 56.400 -0.122 0.000 0.804 1088 E CB -0.291 29.404 29.700 -0.008 0.000 0.745 1088 E HN 0.553 nan 8.360 nan 0.000 0.458 1089 A N 1.282 124.071 122.820 -0.052 0.000 1.898 1089 A HA -0.178 4.143 4.320 0.001 0.000 0.216 1089 A C 2.121 179.696 177.584 -0.015 0.000 1.181 1089 A CA 1.273 53.277 52.037 -0.055 0.000 0.620 1089 A CB -0.438 18.370 19.000 -0.320 0.000 0.819 1089 A HN 0.225 nan 8.150 nan 0.000 0.442 1090 M N -0.367 119.210 119.600 -0.039 0.000 2.117 1090 M HA -0.124 4.357 4.480 0.001 0.000 0.262 1090 M C 1.956 178.261 176.300 0.007 0.000 1.065 1090 M CA 1.775 57.079 55.300 0.007 0.000 1.114 1090 M CB -0.222 32.426 32.600 0.080 0.000 1.361 1090 M HN 0.214 nan 8.290 nan 0.000 0.408 1091 V N 0.890 120.761 119.914 -0.072 0.000 2.287 1091 V HA -0.327 3.794 4.120 0.001 0.000 0.248 1091 V C 2.326 178.438 176.094 0.029 0.000 1.053 1091 V CA 2.156 64.468 62.300 0.020 0.000 1.027 1091 V CB -0.851 30.803 31.823 -0.281 0.000 0.646 1091 V HN 0.517 nan 8.190 nan 0.000 0.447 1092 R N -0.699 119.796 120.500 -0.008 0.000 2.091 1092 R HA -0.130 4.211 4.340 0.001 0.000 0.238 1092 R C 2.279 178.480 176.300 -0.165 0.000 1.136 1092 R CA 1.645 57.757 56.100 0.020 0.000 0.959 1092 R CB -0.382 30.023 30.300 0.175 0.000 0.856 1092 R HN 0.441 nan 8.270 nan 0.000 0.437 1093 M N -0.171 119.213 119.600 -0.360 0.000 2.446 1093 M HA -0.078 4.402 4.480 0.001 0.000 0.263 1093 M C 1.923 177.929 176.300 -0.490 0.000 1.066 1093 M CA 1.144 55.942 55.300 -0.837 0.000 1.087 1093 M CB 0.049 32.348 32.600 -0.500 0.000 1.406 1093 M HN 0.217 nan 8.290 nan 0.000 0.459 1094 A N -0.659 121.995 122.820 -0.277 0.000 2.267 1094 A HA 0.093 4.414 4.320 0.001 0.000 0.213 1094 A C 0.653 178.082 177.584 -0.259 0.000 1.192 1094 A CA -0.075 51.797 52.037 -0.274 0.000 0.851 1094 A CB 0.028 18.781 19.000 -0.411 0.000 0.881 1094 A HN 0.413 nan 8.150 nan 0.000 0.494 1095 Q N 0.956 120.591 119.800 -0.275 0.000 2.294 1095 Q HA 0.203 4.543 4.340 0.001 0.000 0.257 1095 Q C -0.102 175.643 176.000 -0.425 0.000 0.955 1095 Q CA -0.160 55.344 55.803 -0.498 0.000 0.936 1095 Q CB 1.025 29.235 28.738 -0.881 0.000 1.188 1095 Q HN 0.536 nan 8.270 nan 0.000 0.420 1096 D N 1.883 122.101 120.400 -0.304 0.000 2.371 1096 D HA -0.156 4.484 4.640 0.001 0.000 0.221 1096 D C 0.762 177.064 176.300 0.003 0.000 0.986 1096 D CA 0.587 54.531 54.000 -0.093 0.000 0.899 1096 D CB -0.125 40.673 40.800 -0.002 0.000 0.902 1096 D HN 0.600 nan 8.370 nan 0.000 0.530 1097 F N -1.565 118.459 119.950 0.124 0.000 2.727 1097 F HA 0.490 5.017 4.527 0.001 0.000 0.302 1097 F C 1.664 177.608 175.800 0.240 0.000 1.097 1097 F CA -0.553 57.537 58.000 0.150 0.000 1.330 1097 F CB -0.031 39.031 39.000 0.104 0.000 1.084 1097 F HN -0.134 nan 8.300 nan 0.000 0.578 1098 S N -1.637 114.068 115.700 0.008 0.000 2.566 1098 S HA 0.180 4.650 4.470 0.001 0.000 0.234 1098 S C -0.503 174.297 174.600 0.334 0.000 1.075 1098 S CA 0.052 58.395 58.200 0.237 0.000 0.926 1098 S CB -0.061 63.221 63.200 0.136 0.000 0.811 1098 S HN 0.194 nan 8.310 nan 0.000 0.518 1099 Y N 1.900 122.217 120.300 0.029 0.000 2.331 1099 Y HA 0.494 5.045 4.550 0.001 0.000 0.338 1099 Y C 0.995 176.853 175.900 -0.069 0.000 0.992 1099 Y CA -1.335 56.777 58.100 0.019 0.000 1.121 1099 Y CB 1.024 39.484 38.460 0.001 0.000 1.184 1099 Y HN -0.078 nan 8.280 nan 0.000 0.469 1100 R N 1.920 122.374 120.500 -0.077 0.000 2.120 1100 R HA -0.092 4.248 4.340 0.001 0.000 0.234 1100 R C -0.931 174.965 176.300 -0.674 0.000 1.123 1100 R CA 1.660 57.543 56.100 -0.362 0.000 0.975 1100 R CB -0.232 29.838 30.300 -0.383 0.000 0.866 1100 R HN 0.644 nan 8.270 nan 0.000 0.446 1101 Y N -0.208 120.131 120.300 0.065 0.000 2.609 1101 Y HA 0.399 4.949 4.550 0.000 0.000 0.350 1101 Y C -2.251 173.706 175.900 0.094 0.000 1.050 1101 Y CA -3.373 54.739 58.100 0.020 0.000 1.290 1101 Y CB 1.325 39.725 38.460 -0.101 0.000 1.094 1101 Y HN -0.013 nan 8.280 nan 0.000 0.583 1102 P HA 0.019 nan 4.420 nan 0.000 0.263 1102 P C 0.528 177.831 177.300 0.005 0.000 1.175 1102 P CA 0.532 63.652 63.100 0.034 0.000 0.761 1102 P CB 0.979 32.658 31.700 -0.035 0.000 0.794 1103 L N 1.790 122.958 121.223 -0.092 0.000 2.556 1103 L HA 0.162 4.503 4.340 0.001 0.000 0.226 1103 L C 0.379 177.209 176.870 -0.066 0.000 1.089 1103 L CA 0.218 55.032 54.840 -0.043 0.000 0.864 1103 L CB 0.288 42.330 42.059 -0.028 0.000 1.067 1103 L HN 0.142 nan 8.230 nan 0.000 0.477 1104 V N -0.424 119.417 119.914 -0.121 0.000 2.656 1104 V HA 0.293 4.413 4.120 0.001 0.000 0.307 1104 V C -1.079 174.940 176.094 -0.125 0.000 1.051 1104 V CA -0.755 61.488 62.300 -0.096 0.000 0.893 1104 V CB 2.509 34.278 31.823 -0.090 0.000 0.999 1104 V HN -0.062 nan 8.190 nan 0.000 0.426 1105 D N 3.031 123.387 120.400 -0.072 0.000 2.412 1105 D HA 0.523 5.163 4.640 0.001 0.000 0.224 1105 D C 0.193 176.489 176.300 -0.006 0.000 1.093 1105 D CA 0.049 54.030 54.000 -0.032 0.000 0.850 1105 D CB 1.470 42.278 40.800 0.013 0.000 1.046 1105 D HN 0.713 nan 8.370 nan 0.000 0.507 1106 G N 2.424 111.009 108.800 -0.357 0.000 2.371 1106 G HA2 0.453 4.413 3.960 0.001 0.000 0.326 1106 G HA3 0.453 4.413 3.960 0.001 0.000 0.326 1106 G C -0.789 173.817 174.900 -0.491 0.000 1.127 1106 G CA -0.609 43.986 45.100 -0.841 0.000 0.885 1106 G HN 0.421 nan 8.290 nan 0.000 0.477 1107 Q N 0.814 120.449 119.800 -0.275 0.000 2.333 1107 Q HA 0.619 4.959 4.340 0.001 0.000 0.265 1107 Q C 0.325 176.422 176.000 0.162 0.000 0.989 1107 Q CA 0.576 56.185 55.803 -0.323 0.000 0.842 1107 Q CB 1.254 29.455 28.738 -0.895 0.000 1.262 1107 Q HN 1.697 nan 8.270 nan 0.000 0.451 1108 G N 3.252 112.136 108.800 0.141 0.000 2.500 1108 G HA2 -0.215 3.746 3.960 0.001 0.000 0.209 1108 G HA3 -0.215 3.746 3.960 0.001 0.000 0.209 1108 G C -1.051 174.017 174.900 0.280 0.000 1.283 1108 G CA -0.537 44.672 45.100 0.183 0.000 0.960 1108 G HN 0.836 nan 8.290 nan 0.000 0.528 1109 N N 0.457 119.246 118.700 0.148 0.000 2.406 1109 N HA 0.451 5.191 4.740 0.001 0.000 0.265 1109 N C -0.014 175.540 175.510 0.072 0.000 1.203 1109 N CA -0.223 52.898 53.050 0.118 0.000 0.945 1109 N CB -0.336 38.169 38.487 0.030 0.000 1.165 1109 N HN 0.409 nan 8.380 nan 0.000 0.485 1110 F N 2.313 122.305 119.950 0.071 0.000 2.772 1110 F HA 0.410 4.938 4.527 0.001 0.000 0.302 1110 F C 1.413 177.271 175.800 0.097 0.000 1.136 1110 F CA 0.407 58.441 58.000 0.057 0.000 1.322 1110 F CB 0.051 39.062 39.000 0.019 0.000 0.967 1110 F HN 0.680 nan 8.300 nan 0.000 0.513 1111 G N 0.678 109.609 108.800 0.219 0.000 2.756 1111 G HA2 0.117 4.077 3.960 0.001 0.000 0.678 1111 G HA3 0.117 4.077 3.960 0.001 0.000 0.678 1111 G C -0.470 174.620 174.900 0.316 0.000 1.349 1111 G CA -0.538 44.701 45.100 0.233 0.000 0.847 1111 G HN 0.683 nan 8.290 nan 0.000 0.548 1112 S N -1.385 114.417 115.700 0.170 0.000 2.720 1112 S HA 0.714 5.185 4.470 0.001 0.000 0.287 1112 S C 1.229 175.456 174.600 -0.621 0.000 1.168 1112 S CA -0.011 58.100 58.200 -0.148 0.000 0.832 1112 S CB 1.563 64.698 63.200 -0.109 0.000 1.166 1112 S HN 0.892 nan 8.310 nan 0.000 0.493 1113 M N 0.724 119.766 119.600 -0.930 0.000 2.557 1113 M HA 0.049 4.529 4.480 0.001 0.000 0.259 1113 M C 0.067 176.169 176.300 -0.329 0.000 1.086 1113 M CA 0.847 55.681 55.300 -0.777 0.000 1.096 1113 M CB -0.589 31.668 32.600 -0.572 0.000 1.424 1113 M HN 0.574 nan 8.290 nan 0.000 0.488 1114 D N 0.205 120.467 120.400 -0.230 0.000 2.328 1114 D HA 0.146 4.787 4.640 0.001 0.000 0.226 1114 D C 1.396 177.650 176.300 -0.078 0.000 1.066 1114 D CA 0.600 54.527 54.000 -0.122 0.000 0.861 1114 D CB 0.115 40.861 40.800 -0.089 0.000 0.912 1114 D HN 0.481 nan 8.370 nan 0.000 0.521 1115 G N 0.899 109.655 108.800 -0.073 0.000 2.159 1115 G HA2 -0.244 3.716 3.960 0.001 0.000 0.256 1115 G HA3 -0.244 3.716 3.960 0.001 0.000 0.256 1115 G C -0.165 174.740 174.900 0.008 0.000 0.977 1115 G CA -0.267 44.822 45.100 -0.017 0.000 0.652 1115 G HN 0.242 nan 8.290 nan 0.000 0.531 1116 D N 1.254 121.655 120.400 0.002 0.000 2.425 1116 D HA 0.439 5.080 4.640 0.001 0.000 0.247 1116 D C 1.245 177.576 176.300 0.053 0.000 1.147 1116 D CA 1.053 55.066 54.000 0.021 0.000 0.879 1116 D CB 1.064 41.873 40.800 0.015 0.000 1.179 1116 D HN 0.410 nan 8.370 nan 0.000 0.456 1117 G N 0.578 109.407 108.800 0.048 0.000 2.621 1117 G HA2 0.461 4.422 3.960 0.001 0.000 0.271 1117 G HA3 0.461 4.422 3.960 0.001 0.000 0.271 1117 G C -0.009 174.920 174.900 0.049 0.000 1.236 1117 G CA -0.366 44.766 45.100 0.054 0.000 0.958 1117 G HN 0.562 nan 8.290 nan 0.000 0.512 1118 A N -0.623 122.205 122.820 0.013 0.000 2.327 1118 A HA 0.654 4.974 4.320 0.001 0.000 0.255 1118 A C 1.016 178.625 177.584 0.041 0.000 1.099 1118 A CA 0.381 52.395 52.037 -0.039 0.000 0.801 1118 A CB -0.111 18.731 19.000 -0.263 0.000 1.062 1118 A HN 1.798 nan 8.150 nan 0.000 0.496 1119 A N 0.012 122.847 122.820 0.025 0.000 2.406 1119 A HA 0.551 4.872 4.320 0.001 0.000 0.243 1119 A C 0.961 178.667 177.584 0.202 0.000 1.082 1119 A CA 0.137 52.236 52.037 0.104 0.000 0.786 1119 A CB -0.528 18.519 19.000 0.079 0.000 1.029 1119 A HN 2.333 nan 8.150 nan 0.000 0.495 1120 A N 1.543 124.517 122.820 0.255 0.000 2.586 1120 A HA 0.265 4.585 4.320 0.001 0.000 0.231 1120 A C 1.411 178.936 177.584 -0.099 0.000 1.055 1120 A CA 0.662 52.758 52.037 0.098 0.000 0.756 1120 A CB -0.472 18.585 19.000 0.096 0.000 0.988 1120 A HN 1.532 nan 8.150 nan 0.000 0.509 1121 M N 2.408 121.702 119.600 -0.510 0.000 2.346 1121 M HA -0.200 4.280 4.480 0.001 0.000 0.263 1121 M C 1.763 177.833 176.300 -0.382 0.000 1.064 1121 M CA 2.222 57.047 55.300 -0.791 0.000 1.083 1121 M CB -0.513 31.339 32.600 -1.246 0.000 1.399 1121 M HN 0.832 nan 8.290 nan 0.000 0.435 1122 R N 0.293 120.556 120.500 -0.396 0.000 2.148 1122 R HA -0.052 4.288 4.340 0.001 0.000 0.227 1122 R C 1.308 177.387 176.300 -0.368 0.000 1.103 1122 R CA 1.567 57.419 56.100 -0.413 0.000 0.983 1122 R CB -1.038 28.933 30.300 -0.550 0.000 0.874 1122 R HN 0.459 nan 8.270 nan 0.000 0.451 1123 F N 2.098 122.005 119.950 -0.073 0.000 2.512 1123 F HA 0.050 4.578 4.527 0.000 0.000 0.296 1123 F C 1.307 177.097 175.800 -0.017 0.000 1.110 1123 F CA 0.566 58.544 58.000 -0.037 0.000 1.446 1123 F CB 0.123 39.103 39.000 -0.034 0.000 1.092 1123 F HN 0.071 nan 8.300 nan 0.000 0.554 1124 T N -1.564 113.067 114.554 0.128 0.000 2.944 1124 T HA 0.589 4.940 4.350 0.001 0.000 0.284 1124 T C -0.487 174.325 174.700 0.186 0.000 1.010 1124 T CA -0.771 61.413 62.100 0.140 0.000 1.025 1124 T CB 2.215 71.065 68.868 -0.030 0.000 1.079 1124 T HN 0.047 nan 8.240 nan 0.000 0.516 1125 E N -0.488 119.876 120.200 0.274 0.000 2.369 1125 E HA 0.685 5.035 4.350 0.001 0.000 0.270 1125 E C -1.045 175.786 176.600 0.385 0.000 0.909 1125 E CA -1.426 55.132 56.400 0.263 0.000 0.775 1125 E CB 2.426 32.232 29.700 0.176 0.000 1.270 1125 E HN 0.976 nan 8.360 nan 0.000 0.445 1126 A N 1.535 124.589 122.820 0.389 0.000 2.602 1126 A HA 0.868 5.189 4.320 0.001 0.000 0.290 1126 A C -1.285 176.461 177.584 0.270 0.000 1.114 1126 A CA -0.788 51.473 52.037 0.373 0.000 0.683 1126 A CB 1.768 20.956 19.000 0.313 0.000 1.281 1126 A HN 0.716 nan 8.150 nan 0.000 0.416 1127 R N -0.194 120.394 120.500 0.147 0.000 2.741 1127 R HA 0.656 4.997 4.340 0.001 0.000 0.274 1127 R C -1.096 175.199 176.300 -0.008 0.000 1.029 1127 R CA -0.945 55.163 56.100 0.014 0.000 0.880 1127 R CB 0.712 30.929 30.300 -0.140 0.000 1.264 1127 R HN 0.603 nan 8.270 nan 0.000 0.465 1128 M N 1.853 121.440 119.600 -0.021 0.000 2.245 1128 M HA 0.148 4.628 4.480 0.001 0.000 0.330 1128 M C 0.333 176.616 176.300 -0.029 0.000 1.098 1128 M CA 0.223 55.514 55.300 -0.015 0.000 1.172 1128 M CB 1.094 33.691 32.600 -0.004 0.000 1.467 1128 M HN 0.818 nan 8.290 nan 0.000 0.454 1129 T N -0.838 113.706 114.554 -0.017 0.000 2.874 1129 T HA 0.297 4.647 4.350 0.001 0.000 0.281 1129 T C 0.819 175.526 174.700 0.011 0.000 0.994 1129 T CA -0.868 61.227 62.100 -0.007 0.000 1.015 1129 T CB 1.161 70.025 68.868 -0.007 0.000 1.028 1129 T HN 0.636 nan 8.240 nan 0.000 0.523 1130 K N 0.093 120.529 120.400 0.060 0.000 2.103 1130 K HA -0.027 4.293 4.320 0.001 0.000 0.207 1130 K C 1.994 178.606 176.600 0.020 0.000 1.048 1130 K CA 1.215 57.581 56.287 0.133 0.000 0.930 1130 K CB -0.367 32.303 32.500 0.283 0.000 0.716 1130 K HN 0.583 nan 8.250 nan 0.000 0.444 1131 I N 1.024 121.463 120.570 -0.219 0.000 2.493 1131 I HA -0.243 3.927 4.170 0.001 0.000 0.254 1131 I C 1.573 177.536 176.117 -0.257 0.000 1.160 1131 I CA 1.189 62.031 61.300 -0.764 0.000 1.445 1131 I CB 0.023 37.453 38.000 -0.951 0.000 1.086 1131 I HN 0.157 nan 8.210 nan 0.000 0.433 1132 T N 1.441 115.960 114.554 -0.058 0.000 2.833 1132 T HA -0.126 4.224 4.350 0.001 0.000 0.269 1132 T C 1.820 176.551 174.700 0.051 0.000 1.054 1132 T CA 1.081 63.213 62.100 0.052 0.000 1.135 1132 T CB -0.222 68.668 68.868 0.037 0.000 0.869 1132 T HN 0.317 nan 8.240 nan 0.000 0.466 1133 L N 0.915 122.154 121.223 0.027 0.000 2.127 1133 L HA -0.119 4.222 4.340 0.001 0.000 0.211 1133 L C 2.684 179.590 176.870 0.061 0.000 1.089 1133 L CA 1.063 55.931 54.840 0.047 0.000 0.757 1133 L CB -0.496 41.600 42.059 0.062 0.000 0.899 1133 L HN 0.199 nan 8.230 nan 0.000 0.434 1134 E N 0.045 120.283 120.200 0.062 0.000 2.208 1134 E HA -0.109 4.242 4.350 0.001 0.000 0.193 1134 E C 2.334 179.000 176.600 0.110 0.000 0.988 1134 E CA 0.828 57.296 56.400 0.113 0.000 0.828 1134 E CB -0.084 29.698 29.700 0.136 0.000 0.763 1134 E HN 0.535 nan 8.360 nan 0.000 0.478 1135 L N -0.013 121.267 121.223 0.096 0.000 2.156 1135 L HA -0.079 4.261 4.340 0.001 0.000 0.208 1135 L C 2.201 179.075 176.870 0.007 0.000 1.095 1135 L CA 0.741 55.571 54.840 -0.017 0.000 0.770 1135 L CB -0.178 41.864 42.059 -0.029 0.000 0.914 1135 L HN 0.076 nan 8.230 nan 0.000 0.439 1136 L N -1.163 120.082 121.223 0.037 0.000 2.529 1136 L HA 0.087 4.427 4.340 0.001 0.000 0.223 1136 L C 1.261 178.155 176.870 0.041 0.000 1.113 1136 L CA -0.159 54.708 54.840 0.046 0.000 0.861 1136 L CB -0.100 41.996 42.059 0.062 0.000 1.012 1136 L HN 0.082 nan 8.230 nan 0.000 0.461 1137 R N 1.483 122.006 120.500 0.039 0.000 2.504 1137 R HA -0.110 4.231 4.340 0.001 0.000 0.291 1137 R C -0.111 176.196 176.300 0.011 0.000 0.974 1137 R CA 0.689 56.809 56.100 0.035 0.000 1.077 1137 R CB 0.040 30.369 30.300 0.048 0.000 0.926 1137 R HN 0.217 nan 8.270 nan 0.000 0.407 1138 D N 2.230 122.634 120.400 0.007 0.000 3.006 1138 D HA -0.265 4.376 4.640 0.001 0.000 0.205 1138 D C 0.783 177.059 176.300 -0.039 0.000 1.075 1138 D CA 1.192 55.177 54.000 -0.024 0.000 1.000 1138 D CB -1.244 39.536 40.800 -0.034 0.000 1.097 1138 D HN 0.679 nan 8.370 nan 0.000 0.426 1139 I N 0.309 120.884 120.570 0.007 0.000 2.454 1139 I HA -0.201 3.969 4.170 0.001 0.000 0.254 1139 I C 0.801 176.987 176.117 0.115 0.000 1.156 1139 I CA 1.292 62.621 61.300 0.049 0.000 1.433 1139 I CB 0.114 38.181 38.000 0.112 0.000 1.082 1139 I HN -0.019 nan 8.210 nan 0.000 0.432 1140 N N 1.727 120.449 118.700 0.037 0.000 2.451 1140 N HA 0.119 4.859 4.740 0.001 0.000 0.264 1140 N C -0.241 175.076 175.510 -0.322 0.000 1.167 1140 N CA 0.223 53.257 53.050 -0.026 0.000 0.898 1140 N CB 0.405 38.898 38.487 0.010 0.000 1.176 1140 N HN 0.389 nan 8.380 nan 0.000 0.507 1141 K N 0.398 120.533 120.400 -0.442 0.000 2.826 1141 K HA 0.053 4.373 4.320 0.001 0.000 0.206 1141 K C -0.616 175.589 176.600 -0.658 0.000 1.116 1141 K CA -0.299 55.363 56.287 -1.041 0.000 1.045 1141 K CB 0.644 32.848 32.500 -0.493 0.000 0.758 1141 K HN -0.107 nan 8.250 nan 0.000 0.465 1142 D N 1.560 121.756 120.400 -0.341 0.000 2.686 1142 D HA -0.168 4.472 4.640 0.001 0.000 0.235 1142 D C 0.738 177.017 176.300 -0.034 0.000 1.160 1142 D CA 1.514 55.483 54.000 -0.053 0.000 0.645 1142 D CB -0.772 40.079 40.800 0.085 0.000 1.039 1142 D HN 0.513 nan 8.370 nan 0.000 0.423 1143 T N -2.605 111.910 114.554 -0.066 0.000 3.040 1143 T HA 0.288 4.638 4.350 0.001 0.000 0.252 1143 T C 1.026 175.678 174.700 -0.080 0.000 1.064 1143 T CA 0.541 62.595 62.100 -0.077 0.000 1.110 1143 T CB 0.046 68.852 68.868 -0.104 0.000 0.921 1143 T HN 0.431 nan 8.240 nan 0.000 0.480 1144 I N -1.525 118.988 120.570 -0.094 0.000 2.828 1144 I HA 0.701 4.871 4.170 0.001 0.000 0.302 1144 I C -1.823 174.190 176.117 -0.174 0.000 1.101 1144 I CA -1.669 59.547 61.300 -0.140 0.000 1.031 1144 I CB 1.548 39.426 38.000 -0.203 0.000 1.231 1144 I HN -0.305 nan 8.210 nan 0.000 0.427 1145 D N 4.172 124.484 120.400 -0.147 0.000 2.348 1145 D HA 0.327 4.968 4.640 0.001 0.000 0.253 1145 D C -0.653 175.532 176.300 -0.192 0.000 1.161 1145 D CA 0.503 54.449 54.000 -0.089 0.000 0.876 1145 D CB 0.468 41.242 40.800 -0.043 0.000 1.160 1145 D HN 0.335 nan 8.370 nan 0.000 0.459 1146 F N 1.733 121.654 119.950 -0.049 0.000 2.371 1146 F HA 0.406 4.933 4.527 0.000 0.000 0.329 1146 F C 1.020 176.793 175.800 -0.045 0.000 1.107 1146 F CA -0.644 57.315 58.000 -0.069 0.000 1.137 1146 F CB 0.744 39.712 39.000 -0.052 0.000 1.214 1146 F HN 0.201 nan 8.300 nan 0.000 0.536 1147 I N -2.015 118.639 120.570 0.139 0.000 3.145 1147 I HA 0.563 4.734 4.170 0.001 0.000 0.313 1147 I C -1.199 174.978 176.117 0.099 0.000 1.122 1147 I CA -1.263 60.088 61.300 0.085 0.000 0.987 1147 I CB 1.804 39.825 38.000 0.035 0.000 1.236 1147 I HN 0.213 nan 8.210 nan 0.000 0.453 1148 D N 3.146 123.588 120.400 0.071 0.000 2.399 1148 D HA 0.133 4.773 4.640 0.001 0.000 0.241 1148 D C 0.091 176.438 176.300 0.078 0.000 1.133 1148 D CA 0.142 54.178 54.000 0.061 0.000 0.890 1148 D CB 0.606 41.425 40.800 0.031 0.000 1.201 1148 D HN 0.663 nan 8.370 nan 0.000 0.432 1149 N N 0.976 119.723 118.700 0.079 0.000 2.290 1149 N HA -0.101 4.639 4.740 0.001 0.000 0.269 1149 N C 1.202 176.744 175.510 0.053 0.000 1.295 1149 N CA -0.159 52.961 53.050 0.117 0.000 0.932 1149 N CB -0.249 38.312 38.487 0.123 0.000 1.128 1149 N HN 0.549 nan 8.380 nan 0.000 0.532 1150 Y N -1.759 118.584 120.300 0.070 0.000 2.333 1150 Y HA -0.018 4.532 4.550 0.001 0.000 0.290 1150 Y C 0.826 176.729 175.900 0.004 0.000 1.144 1150 Y CA 1.515 59.633 58.100 0.029 0.000 1.228 1150 Y CB -0.547 37.916 38.460 0.006 0.000 0.985 1150 Y HN 0.560 nan 8.280 nan 0.000 0.542 1151 D N -1.702 118.338 120.400 -0.600 0.000 2.469 1151 D HA 0.221 4.861 4.640 0.001 0.000 0.213 1151 D C 1.757 177.918 176.300 -0.231 0.000 1.135 1151 D CA 0.239 54.006 54.000 -0.389 0.000 0.834 1151 D CB 0.117 40.602 40.800 -0.525 0.000 1.009 1151 D HN 0.469 nan 8.370 nan 0.000 0.507 1152 G N 0.923 109.613 108.800 -0.183 0.000 2.179 1152 G HA2 -0.342 3.619 3.960 0.001 0.000 0.260 1152 G HA3 -0.342 3.619 3.960 0.001 0.000 0.260 1152 G C 0.993 175.834 174.900 -0.098 0.000 0.977 1152 G CA 0.336 45.376 45.100 -0.100 0.000 0.641 1152 G HN 0.345 nan 8.290 nan 0.000 0.533 1153 N N 0.632 119.243 118.700 -0.148 0.000 2.422 1153 N HA 0.138 4.879 4.740 0.001 0.000 0.181 1153 N C 0.615 176.081 175.510 -0.072 0.000 1.080 1153 N CA 0.976 53.958 53.050 -0.113 0.000 0.893 1153 N CB 0.273 38.675 38.487 -0.143 0.000 0.973 1153 N HN 0.612 nan 8.380 nan 0.000 0.456 1154 E N -0.024 120.146 120.200 -0.051 0.000 2.445 1154 E HA 0.412 4.762 4.350 0.001 0.000 0.273 1154 E C -0.333 176.333 176.600 0.110 0.000 0.961 1154 E CA -0.603 55.824 56.400 0.045 0.000 0.807 1154 E CB 1.970 31.714 29.700 0.073 0.000 1.362 1154 E HN -0.145 nan 8.360 nan 0.000 0.453 1155 R N 1.069 121.683 120.500 0.189 0.000 2.711 1155 R HA 0.473 4.813 4.340 0.001 0.000 0.284 1155 R C -0.186 176.288 176.300 0.291 0.000 0.968 1155 R CA -0.542 55.670 56.100 0.186 0.000 0.924 1155 R CB 1.846 32.189 30.300 0.070 0.000 1.162 1155 R HN 0.708 nan 8.270 nan 0.000 0.465 1156 E N 1.652 121.972 120.200 0.199 0.000 2.408 1156 E HA 0.559 4.910 4.350 0.001 0.000 0.275 1156 E C -2.805 173.682 176.600 -0.188 0.000 0.935 1156 E CA -2.237 54.092 56.400 -0.118 0.000 0.775 1156 E CB 2.735 32.362 29.700 -0.121 0.000 1.277 1156 E HN 0.133 nan 8.360 nan 0.000 0.455 1157 P HA 0.003 nan 4.420 nan 0.000 0.279 1157 P C 0.472 177.520 177.300 -0.419 0.000 1.239 1157 P CA -0.374 62.260 63.100 -0.776 0.000 0.789 1157 P CB 1.603 32.780 31.700 -0.871 0.000 0.933 1158 S N 2.083 117.579 115.700 -0.339 0.000 2.436 1158 S HA 0.088 4.558 4.470 0.001 0.000 0.228 1158 S C 0.800 175.284 174.600 -0.193 0.000 1.014 1158 S CA 0.458 58.540 58.200 -0.197 0.000 0.950 1158 S CB -0.258 62.855 63.200 -0.145 0.000 0.784 1158 S HN 0.447 nan 8.310 nan 0.000 0.504 1159 V N 0.332 120.104 119.914 -0.237 0.000 3.204 1159 V HA 0.460 4.580 4.120 0.001 0.000 0.298 1159 V C -1.773 174.213 176.094 -0.181 0.000 1.328 1159 V CA -1.255 60.931 62.300 -0.190 0.000 1.035 1159 V CB 2.085 33.793 31.823 -0.192 0.000 1.095 1159 V HN 0.436 nan 8.190 nan 0.000 0.442 1160 L N 5.047 126.203 121.223 -0.113 0.000 2.375 1160 L HA 0.490 4.830 4.340 0.001 0.000 0.268 1160 L C -1.641 175.262 176.870 0.055 0.000 1.058 1160 L CA -1.743 53.057 54.840 -0.066 0.000 0.803 1160 L CB 1.629 43.657 42.059 -0.052 0.000 1.212 1160 L HN 0.459 nan 8.230 nan 0.000 0.451 1161 P HA -0.187 nan 4.420 nan 0.000 0.216 1161 P C 0.268 177.591 177.300 0.039 0.000 1.150 1161 P CA 1.251 64.344 63.100 -0.011 0.000 0.837 1161 P CB 0.116 31.780 31.700 -0.059 0.000 0.786 1162 A N -0.615 122.213 122.820 0.014 0.000 2.136 1162 A HA -0.223 4.097 4.320 0.001 0.000 0.274 1162 A C 1.143 178.742 177.584 0.025 0.000 1.388 1162 A CA 0.389 52.394 52.037 -0.052 0.000 0.741 1162 A CB -1.505 17.495 19.000 -0.000 0.000 1.173 1162 A HN 0.118 nan 8.150 nan 0.000 0.329 1163 R N -0.389 120.124 120.500 0.022 0.000 2.339 1163 R HA 0.138 4.479 4.340 0.001 0.000 0.199 1163 R C 0.423 176.876 176.300 0.256 0.000 1.018 1163 R CA 1.401 57.573 56.100 0.121 0.000 1.036 1163 R CB -0.906 29.455 30.300 0.103 0.000 0.899 1163 R HN 1.040 nan 8.270 nan 0.000 0.473 1164 F N -1.225 118.777 119.950 0.087 0.000 2.576 1164 F HA 0.581 5.109 4.527 0.001 0.000 0.313 1164 F C -2.589 173.048 175.800 -0.272 0.000 1.078 1164 F CA -3.512 54.459 58.000 -0.050 0.000 0.921 1164 F CB 1.540 40.434 39.000 -0.175 0.000 1.232 1164 F HN -0.282 nan 8.300 nan 0.000 0.459 1165 P HA 0.067 nan 4.420 nan 0.000 0.259 1165 P C -0.298 176.698 177.300 -0.507 0.000 1.635 1165 P CA 0.379 62.798 63.100 -1.134 0.000 1.199 1165 P CB 0.462 31.580 31.700 -0.970 0.000 1.850 1166 N N 2.472 120.828 118.700 -0.573 0.000 2.188 1166 N HA -0.169 4.572 4.740 0.001 0.000 0.184 1166 N C 1.542 176.964 175.510 -0.147 0.000 1.018 1166 N CA 0.803 53.650 53.050 -0.338 0.000 0.858 1166 N CB -0.651 37.521 38.487 -0.525 0.000 0.989 1166 N HN 0.126 nan 8.380 nan 0.000 0.426 1167 L N 0.470 121.586 121.223 -0.178 0.000 1.990 1167 L HA -0.110 4.230 4.340 0.001 0.000 0.213 1167 L C 1.879 178.712 176.870 -0.062 0.000 1.072 1167 L CA 1.716 56.495 54.840 -0.102 0.000 0.755 1167 L CB -0.633 41.371 42.059 -0.093 0.000 0.889 1167 L HN 0.286 nan 8.230 nan 0.000 0.432 1168 L N -1.223 119.937 121.223 -0.105 0.000 2.179 1168 L HA -0.027 4.313 4.340 0.001 0.000 0.208 1168 L C 2.606 179.523 176.870 0.079 0.000 1.096 1168 L CA 0.755 55.557 54.840 -0.063 0.000 0.779 1168 L CB -0.819 41.064 42.059 -0.293 0.000 0.922 1168 L HN 0.366 nan 8.230 nan 0.000 0.443 1169 A N 0.409 123.257 122.820 0.047 0.000 1.858 1169 A HA -0.184 4.136 4.320 0.001 0.000 0.216 1169 A C 2.017 179.714 177.584 0.188 0.000 1.190 1169 A CA 1.859 54.000 52.037 0.173 0.000 0.617 1169 A CB -0.405 18.715 19.000 0.200 0.000 0.827 1169 A HN 0.394 nan 8.150 nan 0.000 0.443 1170 N N -0.961 117.810 118.700 0.119 0.000 2.392 1170 N HA 0.235 4.975 4.740 0.001 0.000 0.177 1170 N C 1.042 176.467 175.510 -0.142 0.000 1.066 1170 N CA 1.077 54.111 53.050 -0.026 0.000 0.895 1170 N CB 0.353 38.833 38.487 -0.012 0.000 0.988 1170 N HN 0.676 nan 8.380 nan 0.000 0.457 1171 G N 0.521 109.293 108.800 -0.047 0.000 2.741 1171 G HA2 0.143 4.103 3.960 0.001 0.000 0.222 1171 G HA3 0.143 4.103 3.960 0.001 0.000 0.222 1171 G C -0.915 173.973 174.900 -0.019 0.000 1.364 1171 G CA -0.271 44.828 45.100 -0.001 0.000 0.866 1171 G HN 0.627 nan 8.290 nan 0.000 0.555 1172 A N -1.619 121.242 122.820 0.069 0.000 2.594 1172 A HA 0.945 5.265 4.320 0.001 0.000 0.296 1172 A C -0.302 177.355 177.584 0.121 0.000 1.056 1172 A CA 1.041 53.108 52.037 0.049 0.000 0.693 1172 A CB 1.258 20.268 19.000 0.017 0.000 1.278 1172 A HN 2.416 nan 8.150 nan 0.000 0.408 1173 S N 0.174 115.927 115.700 0.089 0.000 2.571 1173 S HA 0.837 5.308 4.470 0.001 0.000 0.284 1173 S C -0.409 174.224 174.600 0.055 0.000 1.128 1173 S CA 0.277 58.525 58.200 0.079 0.000 0.970 1173 S CB 1.454 64.699 63.200 0.075 0.000 1.039 1173 S HN 2.371 nan 8.310 nan 0.000 0.485 1174 G N 3.577 112.400 108.800 0.039 0.000 2.761 1174 G HA2 0.525 4.485 3.960 0.001 0.000 0.296 1174 G HA3 0.525 4.485 3.960 0.001 0.000 0.296 1174 G C -1.539 173.373 174.900 0.020 0.000 1.416 1174 G CA -0.652 44.469 45.100 0.034 0.000 1.105 1174 G HN 0.751 nan 8.290 nan 0.000 0.565 1175 I N 2.467 123.048 120.570 0.018 0.000 2.307 1175 I HA 0.526 4.697 4.170 0.001 0.000 0.289 1175 I C 0.943 177.062 176.117 0.003 0.000 1.021 1175 I CA -0.432 60.877 61.300 0.015 0.000 1.224 1175 I CB 1.475 39.489 38.000 0.023 0.000 1.376 1175 I HN 0.647 nan 8.210 nan 0.000 0.470 1176 A N 6.419 129.236 122.820 -0.005 0.000 3.774 1176 A HA 0.816 5.137 4.320 0.001 0.000 0.171 1176 A C -0.184 177.379 177.584 -0.036 0.000 1.655 1176 A CA -0.292 51.721 52.037 -0.040 0.000 1.543 1176 A CB 0.580 19.557 19.000 -0.037 0.000 1.659 1176 A HN 0.368 nan 8.150 nan 0.000 0.636 1177 V N -0.957 118.930 119.914 -0.045 0.000 2.525 1177 V HA 0.575 4.696 4.120 0.001 0.000 0.299 1177 V C 0.864 176.996 176.094 0.063 0.000 1.034 1177 V CA 0.350 62.654 62.300 0.007 0.000 0.863 1177 V CB 0.504 32.270 31.823 -0.094 0.000 0.999 1177 V HN 1.988 nan 8.190 nan 0.000 0.423 1178 G N 4.337 113.204 108.800 0.112 0.000 2.234 1178 G HA2 -0.221 3.740 3.960 0.001 0.000 0.260 1178 G HA3 -0.221 3.740 3.960 0.001 0.000 0.260 1178 G C -0.043 174.903 174.900 0.076 0.000 0.987 1178 G CA 0.807 45.976 45.100 0.115 0.000 0.625 1178 G HN 1.153 nan 8.290 nan 0.000 0.532 1179 M N -2.585 117.048 119.600 0.055 0.000 3.012 1179 M HA 0.779 5.259 4.480 0.001 0.000 0.272 1179 M C -0.868 175.448 176.300 0.027 0.000 1.187 1179 M CA -0.435 54.889 55.300 0.040 0.000 0.813 1179 M CB 1.302 33.923 32.600 0.036 0.000 1.626 1179 M HN 1.635 nan 8.290 nan 0.000 0.507 1180 A N 0.218 123.051 122.820 0.023 0.000 2.567 1180 A HA 0.955 5.275 4.320 0.001 0.000 0.289 1180 A C -1.287 176.308 177.584 0.020 0.000 1.177 1180 A CA -0.423 51.624 52.037 0.017 0.000 0.694 1180 A CB 1.872 20.879 19.000 0.012 0.000 1.292 1180 A HN 0.985 nan 8.150 nan 0.000 0.425 1181 T N -0.099 114.468 114.554 0.022 0.000 2.916 1181 T HA 0.630 4.981 4.350 0.001 0.000 0.305 1181 T C -1.877 172.851 174.700 0.047 0.000 1.119 1181 T CA -0.454 61.669 62.100 0.038 0.000 1.008 1181 T CB 1.132 70.024 68.868 0.041 0.000 1.129 1181 T HN 0.778 nan 8.240 nan 0.000 0.480 1182 N N 3.456 122.206 118.700 0.083 0.000 2.664 1182 N HA 0.420 5.161 4.740 0.001 0.000 0.268 1182 N C -1.590 174.118 175.510 0.330 0.000 1.222 1182 N CA -0.309 52.816 53.050 0.124 0.000 0.805 1182 N CB 0.541 38.975 38.487 -0.088 0.000 1.399 1182 N HN 0.583 nan 8.380 nan 0.000 0.547 1183 I N 3.894 124.679 120.570 0.358 0.000 2.362 1183 I HA 0.469 4.640 4.170 0.001 0.000 0.289 1183 I C -2.020 174.289 176.117 0.319 0.000 0.994 1183 I CA -2.015 59.479 61.300 0.324 0.000 1.158 1183 I CB 2.175 40.283 38.000 0.180 0.000 1.315 1183 I HN 0.253 nan 8.210 nan 0.000 0.451 1184 P HA 0.289 nan 4.420 nan 0.000 0.276 1184 P C -2.714 174.396 177.300 -0.317 0.000 1.244 1184 P CA -1.821 61.046 63.100 -0.388 0.000 0.801 1184 P CB 0.303 31.480 31.700 -0.872 0.000 1.006 1185 P HA 0.270 nan 4.420 nan 0.000 0.276 1185 P C -0.796 176.139 177.300 -0.608 0.000 1.252 1185 P CA 0.172 63.054 63.100 -0.364 0.000 0.802 1185 P CB 0.588 32.029 31.700 -0.433 0.000 1.035 1186 H N -1.454 117.501 119.070 -0.191 0.000 2.946 1186 H HA 0.305 4.862 4.556 0.001 0.000 0.365 1186 H C 0.201 175.519 175.328 -0.017 0.000 1.197 1186 H CA -0.728 55.229 56.048 -0.151 0.000 1.131 1186 H CB 1.048 30.741 29.762 -0.116 0.000 1.849 1186 H HN 0.346 nan 8.280 nan 0.000 0.555 1187 N N 1.790 120.548 118.700 0.097 0.000 2.470 1187 N HA -0.049 4.691 4.740 0.001 0.000 0.268 1187 N C 0.730 176.309 175.510 0.116 0.000 1.136 1187 N CA -0.077 53.053 53.050 0.134 0.000 0.961 1187 N CB 0.927 39.444 38.487 0.050 0.000 1.067 1187 N HN 0.490 nan 8.380 nan 0.000 0.468 1188 L N 4.626 125.914 121.223 0.108 0.000 2.083 1188 L HA -0.111 4.229 4.340 0.001 0.000 0.209 1188 L C 2.076 178.903 176.870 -0.071 0.000 1.083 1188 L CA 1.859 56.613 54.840 -0.143 0.000 0.752 1188 L CB -0.813 40.908 42.059 -0.564 0.000 0.899 1188 L HN 0.639 nan 8.230 nan 0.000 0.433 1189 T N -0.648 113.896 114.554 -0.016 0.000 2.674 1189 T HA -0.185 4.165 4.350 0.001 0.000 0.265 1189 T C 1.677 176.368 174.700 -0.014 0.000 1.039 1189 T CA 1.742 63.835 62.100 -0.010 0.000 1.150 1189 T CB -0.235 68.637 68.868 0.007 0.000 0.864 1189 T HN 0.457 nan 8.240 nan 0.000 0.427 1190 E N 0.858 121.055 120.200 -0.005 0.000 2.058 1190 E HA -0.087 4.264 4.350 0.001 0.000 0.194 1190 E C 2.293 178.868 176.600 -0.042 0.000 0.997 1190 E CA 0.935 57.326 56.400 -0.015 0.000 0.801 1190 E CB -0.360 29.341 29.700 0.001 0.000 0.746 1190 E HN 0.402 nan 8.360 nan 0.000 0.450 1191 L N 0.665 121.855 121.223 -0.055 0.000 2.017 1191 L HA -0.198 4.142 4.340 0.001 0.000 0.208 1191 L C 2.521 179.344 176.870 -0.077 0.000 1.073 1191 L CA 1.013 55.792 54.840 -0.102 0.000 0.745 1191 L CB -0.358 41.625 42.059 -0.127 0.000 0.894 1191 L HN 0.171 nan 8.230 nan 0.000 0.432 1192 I N -0.185 120.356 120.570 -0.049 0.000 2.252 1192 I HA -0.272 3.899 4.170 0.001 0.000 0.245 1192 I C 2.184 178.295 176.117 -0.010 0.000 1.102 1192 I CA 0.952 62.244 61.300 -0.013 0.000 1.385 1192 I CB -0.417 37.584 38.000 0.002 0.000 1.064 1192 I HN 0.344 nan 8.210 nan 0.000 0.414 1193 N N 1.259 119.948 118.700 -0.019 0.000 2.149 1193 N HA -0.138 4.602 4.740 0.001 0.000 0.188 1193 N C 1.886 177.380 175.510 -0.027 0.000 1.019 1193 N CA 1.648 54.687 53.050 -0.018 0.000 0.857 1193 N CB -0.727 37.749 38.487 -0.018 0.000 0.997 1193 N HN 0.424 nan 8.380 nan 0.000 0.426 1194 G N 0.507 109.281 108.800 -0.045 0.000 2.402 1194 G HA2 -0.153 3.807 3.960 0.001 0.000 0.216 1194 G HA3 -0.153 3.807 3.960 0.001 0.000 0.216 1194 G C 1.716 176.589 174.900 -0.045 0.000 1.162 1194 G CA 0.683 45.746 45.100 -0.061 0.000 0.777 1194 G HN 0.198 nan 8.290 nan 0.000 0.539 1195 V N 1.010 120.909 119.914 -0.024 0.000 2.343 1195 V HA -0.129 3.991 4.120 0.001 0.000 0.247 1195 V C 2.918 179.017 176.094 0.007 0.000 1.051 1195 V CA 1.429 63.738 62.300 0.015 0.000 1.036 1195 V CB -0.435 31.440 31.823 0.085 0.000 0.654 1195 V HN 0.341 nan 8.190 nan 0.000 0.451 1196 L N -0.269 120.956 121.223 0.003 0.000 2.017 1196 L HA -0.159 4.181 4.340 0.001 0.000 0.208 1196 L C 2.648 179.511 176.870 -0.012 0.000 1.073 1196 L CA 1.773 56.611 54.840 -0.002 0.000 0.745 1196 L CB -0.743 41.315 42.059 -0.001 0.000 0.894 1196 L HN 0.295 nan 8.230 nan 0.000 0.432 1197 S N 0.209 115.899 115.700 -0.017 0.000 2.368 1197 S HA -0.189 4.282 4.470 0.001 0.000 0.225 1197 S C 1.850 176.435 174.600 -0.025 0.000 1.030 1197 S CA 1.424 59.611 58.200 -0.021 0.000 0.999 1197 S CB -0.388 62.797 63.200 -0.025 0.000 0.844 1197 S HN 0.284 nan 8.310 nan 0.000 0.459 1198 L N 2.519 123.725 121.223 -0.029 0.000 2.083 1198 L HA -0.073 4.268 4.340 0.001 0.000 0.209 1198 L C 2.296 179.148 176.870 -0.029 0.000 1.083 1198 L CA 2.164 56.984 54.840 -0.033 0.000 0.752 1198 L CB -0.994 41.042 42.059 -0.038 0.000 0.899 1198 L HN 0.388 nan 8.230 nan 0.000 0.433 1199 S N -1.370 114.316 115.700 -0.023 0.000 2.447 1199 S HA -0.161 4.310 4.470 0.001 0.000 0.233 1199 S C 1.769 176.355 174.600 -0.023 0.000 1.006 1199 S CA 1.115 59.300 58.200 -0.024 0.000 0.957 1199 S CB -0.514 62.674 63.200 -0.020 0.000 0.773 1199 S HN 0.624 nan 8.310 nan 0.000 0.507 1200 K N 0.721 121.109 120.400 -0.021 0.000 2.358 1200 K HA 0.268 4.588 4.320 0.001 0.000 0.197 1200 K C -0.007 176.581 176.600 -0.020 0.000 1.025 1200 K CA 0.041 56.316 56.287 -0.019 0.000 1.104 1200 K CB 0.192 32.682 32.500 -0.016 0.000 0.855 1200 K HN 0.308 nan 8.250 nan 0.000 0.531 1201 N N 0.305 118.991 118.700 -0.023 0.000 2.793 1201 N HA 0.148 4.888 4.740 0.001 0.000 0.251 1201 N C -2.710 172.783 175.510 -0.029 0.000 1.308 1201 N CA -1.605 51.431 53.050 -0.024 0.000 0.781 1201 N CB 1.422 39.896 38.487 -0.021 0.000 1.439 1201 N HN -0.272 nan 8.380 nan 0.000 0.562 1202 P HA 0.023 nan 4.420 nan 0.000 0.225 1202 P C -0.027 177.252 177.300 -0.035 0.000 1.148 1202 P CA 0.996 64.075 63.100 -0.036 0.000 0.779 1202 P CB 0.366 32.045 31.700 -0.034 0.000 0.780 1203 D N -1.103 119.280 120.400 -0.028 0.000 2.340 1203 D HA 0.083 4.724 4.640 0.001 0.000 0.217 1203 D C 0.868 177.154 176.300 -0.024 0.000 1.081 1203 D CA -0.243 53.741 54.000 -0.025 0.000 0.842 1203 D CB -0.069 40.719 40.800 -0.020 0.000 0.934 1203 D HN 0.231 nan 8.370 nan 0.000 0.511 1204 I N 1.944 122.498 120.570 -0.028 0.000 2.880 1204 I HA -0.132 4.038 4.170 0.001 0.000 0.296 1204 I C 0.837 176.938 176.117 -0.027 0.000 1.220 1204 I CA 0.229 61.513 61.300 -0.027 0.000 1.435 1204 I CB 0.532 38.513 38.000 -0.032 0.000 1.339 1204 I HN -0.059 nan 8.210 nan 0.000 0.583 1205 S N 7.146 122.834 115.700 -0.020 0.000 2.693 1205 S HA 0.319 4.790 4.470 0.001 0.000 0.276 1205 S C 1.259 175.850 174.600 -0.015 0.000 1.192 1205 S CA -0.928 57.263 58.200 -0.014 0.000 0.994 1205 S CB 1.523 64.720 63.200 -0.006 0.000 1.012 1205 S HN 0.557 nan 8.310 nan 0.000 0.550 1206 I N 1.107 121.674 120.570 -0.005 0.000 2.226 1206 I HA -0.142 4.028 4.170 0.001 0.000 0.245 1206 I C 2.881 179.010 176.117 0.020 0.000 1.100 1206 I CA 1.827 63.130 61.300 0.005 0.000 1.374 1206 I CB -2.298 35.725 38.000 0.039 0.000 1.057 1206 I HN 0.871 nan 8.210 nan 0.000 0.413 1207 A N 0.414 123.249 122.820 0.024 0.000 1.908 1207 A HA -0.261 4.060 4.320 0.001 0.000 0.218 1207 A C 2.380 179.972 177.584 0.015 0.000 1.181 1207 A CA 2.015 54.068 52.037 0.027 0.000 0.627 1207 A CB -0.710 18.302 19.000 0.020 0.000 0.818 1207 A HN 0.520 nan 8.150 nan 0.000 0.445 1208 E N -0.405 119.796 120.200 0.001 0.000 2.152 1208 E HA -0.072 4.279 4.350 0.001 0.000 0.192 1208 E C 1.849 178.439 176.600 -0.016 0.000 0.983 1208 E CA 0.600 56.996 56.400 -0.006 0.000 0.818 1208 E CB -0.167 29.527 29.700 -0.011 0.000 0.758 1208 E HN 0.632 nan 8.360 nan 0.000 0.467 1209 L N 0.180 121.387 121.223 -0.027 0.000 2.141 1209 L HA -0.123 4.218 4.340 0.001 0.000 0.209 1209 L C 2.453 179.294 176.870 -0.047 0.000 1.094 1209 L CA 0.828 55.635 54.840 -0.055 0.000 0.763 1209 L CB -0.184 41.818 42.059 -0.094 0.000 0.908 1209 L HN 0.278 nan 8.230 nan 0.000 0.437 1210 M N -0.877 118.720 119.600 -0.004 0.000 2.549 1210 M HA -0.153 4.328 4.480 0.001 0.000 0.260 1210 M C 1.673 177.990 176.300 0.029 0.000 1.076 1210 M CA 1.203 56.529 55.300 0.044 0.000 1.090 1210 M CB -0.222 32.443 32.600 0.107 0.000 1.418 1210 M HN 0.237 nan 8.290 nan 0.000 0.486 1211 E N 0.241 120.446 120.200 0.009 0.000 2.274 1211 E HA -0.138 4.212 4.350 0.001 0.000 0.194 1211 E C 1.131 177.730 176.600 -0.001 0.000 0.996 1211 E CA 0.640 57.043 56.400 0.005 0.000 0.840 1211 E CB 0.162 29.861 29.700 -0.001 0.000 0.772 1211 E HN 0.494 nan 8.360 nan 0.000 0.491 1212 D N 0.205 120.598 120.400 -0.012 0.000 2.414 1212 D HA 0.082 4.723 4.640 0.001 0.000 0.237 1212 D C 0.569 176.859 176.300 -0.016 0.000 0.975 1212 D CA 0.503 54.492 54.000 -0.019 0.000 0.917 1212 D CB 0.521 41.300 40.800 -0.035 0.000 1.061 1212 D HN 0.054 nan 8.370 nan 0.000 0.480 1213 I N 2.234 122.787 120.570 -0.028 0.000 2.282 1213 I HA 0.100 4.271 4.170 0.001 0.000 0.290 1213 I C 1.130 177.296 176.117 0.082 0.000 1.090 1213 I CA -0.082 61.210 61.300 -0.013 0.000 1.231 1213 I CB 1.075 38.988 38.000 -0.146 0.000 1.434 1213 I HN -0.136 nan 8.210 nan 0.000 0.487 1214 E N 4.209 124.457 120.200 0.080 0.000 2.150 1214 E HA 0.062 4.413 4.350 0.001 0.000 0.193 1214 E C 1.091 177.772 176.600 0.136 0.000 0.985 1214 E CA 0.503 56.953 56.400 0.085 0.000 0.814 1214 E CB 0.178 29.895 29.700 0.029 0.000 0.752 1214 E HN 0.867 nan 8.360 nan 0.000 0.466 1215 G N 0.118 109.026 108.800 0.180 0.000 2.327 1215 G HA2 0.100 4.061 3.960 0.001 0.000 0.291 1215 G HA3 0.100 4.061 3.960 0.001 0.000 0.291 1215 G C -3.056 171.826 174.900 -0.030 0.000 1.290 1215 G CA -1.226 43.960 45.100 0.144 0.000 0.857 1215 G HN -0.222 nan 8.290 nan 0.000 0.520 1216 P HA 0.348 nan 4.420 nan 0.000 0.270 1216 P C -1.025 175.753 177.300 -0.870 0.000 1.223 1216 P CA 0.289 62.806 63.100 -0.973 0.000 0.785 1216 P CB 0.755 31.724 31.700 -1.217 0.000 0.923 1217 D N 1.146 120.982 120.400 -0.940 0.000 2.402 1217 D HA 0.301 4.941 4.640 0.001 0.000 0.252 1217 D C -1.274 174.615 176.300 -0.685 0.000 1.294 1217 D CA -0.425 53.200 54.000 -0.624 0.000 0.948 1217 D CB -0.011 40.609 40.800 -0.299 0.000 1.202 1217 D HN -0.033 nan 8.370 nan 0.000 0.561 1218 F N 3.434 123.173 119.950 -0.352 0.000 2.389 1218 F HA 0.317 4.844 4.527 0.001 0.000 0.337 1218 F C -0.825 174.804 175.800 -0.285 0.000 1.112 1218 F CA -1.993 55.730 58.000 -0.461 0.000 1.192 1218 F CB 0.659 39.431 39.000 -0.380 0.000 1.185 1218 F HN 0.236 nan 8.300 nan 0.000 0.552 1219 P HA -0.120 nan 4.420 nan 0.000 0.222 1219 P C 0.958 178.317 177.300 0.098 0.000 1.147 1219 P CA 1.486 64.575 63.100 -0.019 0.000 0.790 1219 P CB -0.306 31.416 31.700 0.036 0.000 0.780 1220 T N -4.241 110.431 114.554 0.196 0.000 3.169 1220 T HA 0.539 4.889 4.350 0.001 0.000 0.250 1220 T C 1.086 175.870 174.700 0.140 0.000 1.111 1220 T CA 0.305 62.521 62.100 0.194 0.000 1.010 1220 T CB -0.425 68.592 68.868 0.248 0.000 0.984 1220 T HN 0.265 nan 8.240 nan 0.000 0.537 1221 A N 1.209 124.106 122.820 0.128 0.000 5.277 1221 A HA 0.208 4.528 4.320 0.001 0.000 0.304 1221 A C 1.444 179.109 177.584 0.134 0.000 1.976 1221 A CA 0.986 53.082 52.037 0.099 0.000 0.715 1221 A CB -1.926 17.111 19.000 0.061 0.000 1.275 1221 A HN 2.289 nan 8.150 nan 0.000 0.367 1222 G N -3.018 105.836 108.800 0.091 0.000 2.593 1222 G HA2 0.282 4.243 3.960 0.001 0.000 0.237 1222 G HA3 0.282 4.243 3.960 0.001 0.000 0.237 1222 G C -0.532 174.414 174.900 0.077 0.000 1.312 1222 G CA 0.497 45.646 45.100 0.082 0.000 0.896 1222 G HN 2.054 nan 8.290 nan 0.000 0.574 1223 L N -0.452 120.809 121.223 0.062 0.000 2.354 1223 L HA 0.812 5.153 4.340 0.001 0.000 0.264 1223 L C 0.323 177.223 176.870 0.049 0.000 1.008 1223 L CA -0.672 54.191 54.840 0.039 0.000 0.819 1223 L CB 2.015 44.074 42.059 -0.001 0.000 1.339 1223 L HN 0.668 nan 8.230 nan 0.000 0.420 1224 I N 2.321 122.913 120.570 0.036 0.000 2.433 1224 I HA 0.383 4.554 4.170 0.001 0.000 0.292 1224 I C -0.858 175.252 176.117 -0.010 0.000 1.001 1224 I CA -0.605 60.716 61.300 0.034 0.000 1.119 1224 I CB 1.776 39.798 38.000 0.036 0.000 1.289 1224 I HN 0.308 nan 8.210 nan 0.000 0.438 1225 L N 6.363 127.572 121.223 -0.024 0.000 2.268 1225 L HA 0.568 4.909 4.340 0.001 0.000 0.289 1225 L C 0.734 177.587 176.870 -0.028 0.000 1.064 1225 L CA -0.192 54.625 54.840 -0.039 0.000 0.824 1225 L CB 0.301 42.324 42.059 -0.060 0.000 1.202 1225 L HN 0.920 nan 8.230 nan 0.000 0.433 1226 G N 3.134 111.918 108.800 -0.026 0.000 2.829 1226 G HA2 -0.244 3.716 3.960 0.001 0.000 0.628 1226 G HA3 -0.244 3.716 3.960 0.001 0.000 0.628 1226 G C 0.088 174.969 174.900 -0.031 0.000 1.412 1226 G CA -0.357 44.728 45.100 -0.024 0.000 0.864 1226 G HN 0.723 nan 8.290 nan 0.000 0.544 1227 K N -0.243 120.139 120.400 -0.031 0.000 2.402 1227 K HA 0.283 4.604 4.320 0.001 0.000 0.204 1227 K C 2.287 178.858 176.600 -0.049 0.000 1.056 1227 K CA 0.563 56.824 56.287 -0.043 0.000 1.069 1227 K CB 0.605 33.090 32.500 -0.026 0.000 0.888 1227 K HN 0.288 nan 8.250 nan 0.000 0.546 1228 S N 0.956 116.635 115.700 -0.035 0.000 2.383 1228 S HA -0.095 4.375 4.470 0.001 0.000 0.227 1228 S C 2.004 176.580 174.600 -0.041 0.000 1.026 1228 S CA 1.485 59.667 58.200 -0.029 0.000 0.981 1228 S CB -0.179 63.011 63.200 -0.017 0.000 0.818 1228 S HN 0.578 nan 8.310 nan 0.000 0.472 1229 G N 1.560 110.333 108.800 -0.045 0.000 2.394 1229 G HA2 -0.074 3.887 3.960 0.001 0.000 0.215 1229 G HA3 -0.074 3.887 3.960 0.001 0.000 0.215 1229 G C 1.342 176.176 174.900 -0.110 0.000 1.165 1229 G CA 0.421 45.493 45.100 -0.046 0.000 0.784 1229 G HN 0.458 nan 8.290 nan 0.000 0.535 1230 I N 0.187 120.653 120.570 -0.173 0.000 2.127 1230 I HA -0.182 3.989 4.170 0.001 0.000 0.241 1230 I C 2.834 178.696 176.117 -0.426 0.000 1.075 1230 I CA 1.402 62.469 61.300 -0.387 0.000 1.334 1230 I CB -0.251 37.543 38.000 -0.344 0.000 1.040 1230 I HN 0.122 nan 8.210 nan 0.000 0.405 1231 R N 1.155 121.545 120.500 -0.185 0.000 2.083 1231 R HA -0.251 4.089 4.340 0.001 0.000 0.237 1231 R C 2.516 178.799 176.300 -0.027 0.000 1.137 1231 R CA 2.015 58.077 56.100 -0.062 0.000 0.951 1231 R CB -0.277 30.015 30.300 -0.014 0.000 0.851 1231 R HN 0.207 nan 8.270 nan 0.000 0.434 1232 R N -0.014 120.463 120.500 -0.038 0.000 2.073 1232 R HA -0.122 4.218 4.340 0.001 0.000 0.234 1232 R C 2.138 178.444 176.300 0.009 0.000 1.134 1232 R CA 1.707 57.804 56.100 -0.004 0.000 0.952 1232 R CB -0.396 29.901 30.300 -0.005 0.000 0.850 1232 R HN 0.342 nan 8.270 nan 0.000 0.433 1233 A N -0.020 122.776 122.820 -0.039 0.000 1.902 1233 A HA -0.171 4.149 4.320 0.001 0.000 0.217 1233 A C 1.836 179.501 177.584 0.134 0.000 1.181 1233 A CA 1.264 53.305 52.037 0.007 0.000 0.623 1233 A CB -0.729 18.229 19.000 -0.070 0.000 0.818 1233 A HN 0.482 nan 8.150 nan 0.000 0.443 1234 Y N 0.227 120.547 120.300 0.034 0.000 2.314 1234 Y HA -0.030 4.520 4.550 0.001 0.000 0.293 1234 Y C 2.463 178.368 175.900 0.008 0.000 1.129 1234 Y CA 0.718 58.828 58.100 0.016 0.000 1.201 1234 Y CB -0.438 38.026 38.460 0.006 0.000 0.999 1234 Y HN 0.348 nan 8.280 nan 0.000 0.541 1235 E N -0.634 119.663 120.200 0.162 0.000 2.076 1235 E HA -0.096 4.254 4.350 0.001 0.000 0.190 1235 E C 2.063 178.706 176.600 0.071 0.000 0.979 1235 E CA 1.934 58.389 56.400 0.091 0.000 0.807 1235 E CB -0.331 29.407 29.700 0.062 0.000 0.761 1235 E HN 0.550 nan 8.360 nan 0.000 0.454 1236 T N -4.237 110.361 114.554 0.073 0.000 2.971 1236 T HA 0.340 4.690 4.350 0.001 0.000 0.252 1236 T C 1.475 176.215 174.700 0.067 0.000 1.022 1236 T CA 0.848 62.983 62.100 0.058 0.000 0.980 1236 T CB 0.916 69.811 68.868 0.045 0.000 1.044 1236 T HN 0.233 nan 8.240 nan 0.000 0.501 1237 G N 1.443 110.298 108.800 0.092 0.000 2.195 1237 G HA2 -0.193 3.767 3.960 0.001 0.000 0.246 1237 G HA3 -0.193 3.767 3.960 0.001 0.000 0.246 1237 G C 0.064 175.022 174.900 0.097 0.000 0.984 1237 G CA -0.139 45.022 45.100 0.101 0.000 0.633 1237 G HN 0.728 nan 8.290 nan 0.000 0.525 1238 R N -0.375 120.172 120.500 0.079 0.000 2.628 1238 R HA 0.643 4.983 4.340 0.001 0.000 0.288 1238 R C -0.064 176.269 176.300 0.056 0.000 0.980 1238 R CA 0.036 56.177 56.100 0.069 0.000 0.891 1238 R CB 2.175 32.506 30.300 0.052 0.000 1.188 1238 R HN 1.006 nan 8.270 nan 0.000 0.450 1239 G N 0.123 108.959 108.800 0.061 0.000 2.429 1239 G HA2 0.153 4.114 3.960 0.001 0.000 0.300 1239 G HA3 0.153 4.114 3.960 0.001 0.000 0.300 1239 G C -1.619 173.321 174.900 0.066 0.000 1.598 1239 G CA -0.611 44.515 45.100 0.043 0.000 0.863 1239 G HN 0.362 nan 8.290 nan 0.000 0.614 1240 S N 0.145 115.874 115.700 0.049 0.000 2.475 1240 S HA 0.703 5.173 4.470 0.001 0.000 0.281 1240 S C 0.108 174.748 174.600 0.067 0.000 1.198 1240 S CA -0.594 57.644 58.200 0.064 0.000 1.063 1240 S CB 0.083 63.305 63.200 0.037 0.000 0.972 1240 S HN 0.468 nan 8.310 nan 0.000 0.486 1241 I N 4.797 125.441 120.570 0.124 0.000 2.389 1241 I HA 0.284 4.455 4.170 0.001 0.000 0.288 1241 I C -0.287 175.898 176.117 0.114 0.000 0.999 1241 I CA -0.808 60.555 61.300 0.106 0.000 1.129 1241 I CB 1.770 39.846 38.000 0.127 0.000 1.288 1241 I HN 0.450 nan 8.210 nan 0.000 0.444 1242 Q N 7.398 127.231 119.800 0.056 0.000 2.323 1242 Q HA 0.402 4.742 4.340 0.001 0.000 0.257 1242 Q C -0.601 175.414 176.000 0.026 0.000 1.022 1242 Q CA 0.220 56.040 55.803 0.028 0.000 0.919 1242 Q CB 1.343 30.075 28.738 -0.011 0.000 1.220 1242 Q HN 0.583 nan 8.270 nan 0.000 0.427 1243 M N 2.488 122.102 119.600 0.024 0.000 2.238 1243 M HA 0.443 4.924 4.480 0.001 0.000 0.350 1243 M C 0.097 176.374 176.300 -0.038 0.000 1.138 1243 M CA -0.281 55.021 55.300 0.004 0.000 1.040 1243 M CB 1.802 34.367 32.600 -0.058 0.000 1.639 1243 M HN 0.290 nan 8.290 nan 0.000 0.451 1244 R N 1.144 121.613 120.500 -0.051 0.000 2.686 1244 R HA 0.538 4.878 4.340 0.001 0.000 0.286 1244 R C -0.889 175.411 176.300 0.001 0.000 0.969 1244 R CA -0.424 55.616 56.100 -0.100 0.000 0.898 1244 R CB 1.865 31.992 30.300 -0.288 0.000 1.183 1244 R HN 0.780 nan 8.270 nan 0.000 0.456 1245 S N 1.859 117.616 115.700 0.095 0.000 2.584 1245 S HA 0.093 4.563 4.470 0.001 0.000 0.270 1245 S C -0.021 174.656 174.600 0.129 0.000 1.346 1245 S CA -0.273 58.002 58.200 0.124 0.000 1.018 1245 S CB 0.596 63.894 63.200 0.164 0.000 0.899 1245 S HN 0.508 nan 8.310 nan 0.000 0.542 1246 R N 1.110 121.666 120.500 0.094 0.000 2.196 1246 R HA 0.537 4.877 4.340 0.001 0.000 0.340 1246 R C -0.756 175.596 176.300 0.086 0.000 1.043 1246 R CA -0.180 55.969 56.100 0.083 0.000 0.883 1246 R CB -0.029 30.306 30.300 0.057 0.000 1.078 1246 R HN 0.655 nan 8.270 nan 0.000 0.462 1247 A N 4.016 126.900 122.820 0.106 0.000 2.475 1247 A HA 0.628 4.948 4.320 0.001 0.000 0.301 1247 A C -1.016 176.604 177.584 0.061 0.000 1.059 1247 A CA -0.652 51.429 52.037 0.075 0.000 0.710 1247 A CB 1.764 20.805 19.000 0.068 0.000 1.288 1247 A HN 0.607 nan 8.150 nan 0.000 0.408 1248 V N -0.720 119.213 119.914 0.033 0.000 3.102 1248 V HA 0.830 4.950 4.120 0.001 0.000 0.312 1248 V C -0.711 175.389 176.094 0.010 0.000 1.135 1248 V CA -0.917 61.398 62.300 0.026 0.000 1.022 1248 V CB 1.704 33.540 31.823 0.022 0.000 1.056 1248 V HN 0.742 nan 8.190 nan 0.000 0.436 1249 I N 2.548 123.123 120.570 0.009 0.000 2.378 1249 I HA 0.649 4.819 4.170 0.001 0.000 0.291 1249 I C -0.110 176.009 176.117 0.002 0.000 0.992 1249 I CA -0.139 61.161 61.300 0.000 0.000 1.154 1249 I CB 1.594 39.594 38.000 -0.001 0.000 1.315 1249 I HN 1.034 nan 8.210 nan 0.000 0.448 1250 E N 5.847 126.046 120.200 -0.001 0.000 2.408 1250 E HA 0.407 4.757 4.350 0.001 0.000 0.275 1250 E C -1.393 175.205 176.600 -0.002 0.000 0.935 1250 E CA -1.040 55.359 56.400 -0.000 0.000 0.775 1250 E CB 1.651 31.352 29.700 0.001 0.000 1.277 1250 E HN 0.579 nan 8.360 nan 0.000 0.455 1251 E N 1.293 121.492 120.200 -0.001 0.000 2.373 1251 E HA 0.189 4.540 4.350 0.001 0.000 0.263 1251 E C 0.159 176.758 176.600 -0.003 0.000 1.073 1251 E CA -0.634 55.765 56.400 -0.002 0.000 0.894 1251 E CB 1.032 30.731 29.700 -0.001 0.000 1.008 1251 E HN 0.716 nan 8.360 nan 0.000 0.420 1252 R N 1.049 121.547 120.500 -0.004 0.000 2.566 1252 R HA 0.374 4.714 4.340 0.001 0.000 0.388 1252 R C 0.097 176.395 176.300 -0.003 0.000 0.989 1252 R CA -0.100 55.998 56.100 -0.004 0.000 1.164 1252 R CB 0.529 30.826 30.300 -0.005 0.000 1.459 1252 R HN 0.749 nan 8.270 nan 0.000 0.553 1253 G N -0.157 108.641 108.800 -0.003 0.000 2.650 1253 G HA2 0.244 4.204 3.960 0.001 0.000 0.686 1253 G HA3 0.244 4.204 3.960 0.001 0.000 0.686 1253 G C 0.437 175.336 174.900 -0.003 0.000 1.205 1253 G CA -0.250 44.849 45.100 -0.002 0.000 0.781 1253 G HN 0.935 nan 8.290 nan 0.000 0.648 1254 G N -0.582 108.216 108.800 -0.002 0.000 2.283 1254 G HA2 0.360 4.320 3.960 0.001 0.000 0.280 1254 G HA3 0.360 4.320 3.960 0.001 0.000 0.280 1254 G C 2.183 177.082 174.900 -0.003 0.000 1.029 1254 G CA 1.179 46.277 45.100 -0.002 0.000 0.840 1254 G HN 3.112 nan 8.290 nan 0.000 0.505 1255 G N -1.824 106.975 108.800 -0.002 0.000 2.155 1255 G HA2 -0.304 3.657 3.960 0.001 0.000 0.257 1255 G HA3 -0.304 3.657 3.960 0.001 0.000 0.257 1255 G C 0.489 175.386 174.900 -0.003 0.000 0.983 1255 G CA 1.201 46.299 45.100 -0.003 0.000 0.676 1255 G HN 1.013 nan 8.290 nan 0.000 0.528 1256 R N -0.383 120.115 120.500 -0.004 0.000 2.643 1256 R HA 0.697 5.038 4.340 0.001 0.000 0.272 1256 R C 0.255 176.551 176.300 -0.006 0.000 0.995 1256 R CA -0.468 55.629 56.100 -0.006 0.000 1.032 1256 R CB 0.910 31.207 30.300 -0.006 0.000 1.126 1256 R HN 0.417 nan 8.270 nan 0.000 0.505 1257 Q N 0.812 120.607 119.800 -0.008 0.000 2.496 1257 Q HA 0.513 4.853 4.340 0.001 0.000 0.286 1257 Q C -0.933 175.060 176.000 -0.012 0.000 1.103 1257 Q CA -1.079 54.719 55.803 -0.009 0.000 0.813 1257 Q CB 3.045 31.778 28.738 -0.009 0.000 1.444 1257 Q HN 0.547 nan 8.270 nan 0.000 0.443 1258 R N -0.229 120.263 120.500 -0.013 0.000 2.739 1258 R HA 0.644 4.985 4.340 0.001 0.000 0.271 1258 R C -1.393 174.896 176.300 -0.019 0.000 1.010 1258 R CA -0.798 55.292 56.100 -0.017 0.000 0.897 1258 R CB 1.005 31.297 30.300 -0.014 0.000 1.236 1258 R HN 0.484 nan 8.270 nan 0.000 0.466 1259 I N 1.918 122.472 120.570 -0.027 0.000 2.336 1259 I HA 0.330 4.500 4.170 0.001 0.000 0.292 1259 I C -0.599 175.503 176.117 -0.024 0.000 0.991 1259 I CA -1.190 60.091 61.300 -0.032 0.000 1.227 1259 I CB 2.094 40.060 38.000 -0.058 0.000 1.366 1259 I HN 0.288 nan 8.210 nan 0.000 0.466 1260 V N 7.269 127.175 119.914 -0.013 0.000 2.409 1260 V HA 0.343 4.463 4.120 0.001 0.000 0.291 1260 V C -0.095 176.000 176.094 0.002 0.000 1.020 1260 V CA -0.704 61.592 62.300 -0.006 0.000 0.848 1260 V CB 1.824 33.647 31.823 -0.001 0.000 0.990 1260 V HN 0.376 nan 8.190 nan 0.000 0.430 1261 V N 4.535 124.450 119.914 0.001 0.000 2.394 1261 V HA 0.380 4.501 4.120 0.001 0.000 0.282 1261 V C 1.052 177.155 176.094 0.016 0.000 1.031 1261 V CA 0.197 62.505 62.300 0.014 0.000 0.881 1261 V CB 1.472 33.301 31.823 0.010 0.000 0.982 1261 V HN 1.037 nan 8.190 nan 0.000 0.451 1262 T N 0.428 114.997 114.554 0.026 0.000 3.003 1262 T HA 0.386 4.736 4.350 0.001 0.000 0.261 1262 T C 0.237 174.955 174.700 0.031 0.000 1.003 1262 T CA -0.130 61.985 62.100 0.024 0.000 0.917 1262 T CB 0.280 69.163 68.868 0.024 0.000 1.084 1262 T HN 0.624 nan 8.240 nan 0.000 0.522 1263 E N 1.080 121.304 120.200 0.039 0.000 2.343 1263 E HA 0.652 5.003 4.350 0.001 0.000 0.278 1263 E C -1.069 175.560 176.600 0.049 0.000 0.910 1263 E CA -1.044 55.384 56.400 0.047 0.000 0.757 1263 E CB 2.826 32.559 29.700 0.054 0.000 1.218 1263 E HN 0.493 nan 8.360 nan 0.000 0.435 1264 I N -2.266 118.332 120.570 0.045 0.000 3.108 1264 I HA 0.704 4.875 4.170 0.001 0.000 0.312 1264 I C -2.746 173.389 176.117 0.030 0.000 1.095 1264 I CA -3.026 58.295 61.300 0.037 0.000 1.000 1264 I CB 1.806 39.816 38.000 0.016 0.000 1.229 1264 I HN 0.202 nan 8.210 nan 0.000 0.454 1265 P HA 0.091 nan 4.420 nan 0.000 0.270 1265 P C -0.790 176.487 177.300 -0.038 0.000 1.223 1265 P CA 0.004 63.076 63.100 -0.048 0.000 0.785 1265 P CB 0.238 31.909 31.700 -0.048 0.000 0.923 1266 F N 2.226 121.959 119.950 -0.362 0.000 2.572 1266 F HA 0.002 4.530 4.527 0.001 0.000 0.370 1266 F C 1.363 177.097 175.800 -0.110 0.000 1.103 1266 F CA 0.799 58.625 58.000 -0.289 0.000 1.286 1266 F CB -0.245 38.348 39.000 -0.677 0.000 1.105 1266 F HN 0.526 nan 8.300 nan 0.000 0.583 1267 Q N 0.952 120.399 119.800 -0.588 0.000 2.374 1267 Q HA -0.175 4.165 4.340 0.001 0.000 0.218 1267 Q C -0.590 175.285 176.000 -0.208 0.000 0.691 1267 Q CA 0.703 56.215 55.803 -0.486 0.000 1.340 1267 Q CB -1.767 26.622 28.738 -0.582 0.000 1.498 1267 Q HN 0.382 nan 8.270 nan 0.000 0.739 1268 V N 2.140 121.974 119.914 -0.133 0.000 2.461 1268 V HA 0.172 4.293 4.120 0.001 0.000 0.275 1268 V C 0.544 176.592 176.094 -0.076 0.000 1.047 1268 V CA -0.490 61.761 62.300 -0.083 0.000 0.955 1268 V CB 1.445 33.236 31.823 -0.053 0.000 0.988 1268 V HN 0.202 nan 8.190 nan 0.000 0.471 1269 N N 4.643 123.301 118.700 -0.069 0.000 2.405 1269 N HA 0.058 4.798 4.740 0.001 0.000 0.260 1269 N C 1.016 176.486 175.510 -0.067 0.000 1.152 1269 N CA 0.123 53.129 53.050 -0.073 0.000 0.948 1269 N CB 0.896 39.349 38.487 -0.056 0.000 1.111 1269 N HN 0.756 nan 8.380 nan 0.000 0.485 1270 K N 3.958 124.308 120.400 -0.083 0.000 2.020 1270 K HA -0.194 4.127 4.320 0.001 0.000 0.212 1270 K C 1.582 178.150 176.600 -0.053 0.000 1.050 1270 K CA 1.709 57.956 56.287 -0.066 0.000 0.929 1270 K CB -0.168 32.283 32.500 -0.081 0.000 0.714 1270 K HN 0.595 nan 8.250 nan 0.000 0.443 1271 A N 1.454 124.239 122.820 -0.058 0.000 1.908 1271 A HA -0.219 4.101 4.320 0.001 0.000 0.218 1271 A C 2.199 179.762 177.584 -0.035 0.000 1.181 1271 A CA 1.841 53.851 52.037 -0.044 0.000 0.627 1271 A CB -0.648 18.326 19.000 -0.043 0.000 0.818 1271 A HN 0.466 nan 8.150 nan 0.000 0.445 1272 R N -1.042 119.437 120.500 -0.036 0.000 2.075 1272 R HA -0.071 4.269 4.340 0.001 0.000 0.232 1272 R C 2.275 178.560 176.300 -0.026 0.000 1.126 1272 R CA 1.587 57.670 56.100 -0.029 0.000 0.963 1272 R CB -0.316 29.966 30.300 -0.030 0.000 0.858 1272 R HN 0.620 nan 8.270 nan 0.000 0.435 1273 M N 0.446 120.029 119.600 -0.028 0.000 2.117 1273 M HA -0.177 4.303 4.480 0.001 0.000 0.262 1273 M C 1.893 178.180 176.300 -0.022 0.000 1.065 1273 M CA 1.742 57.028 55.300 -0.022 0.000 1.114 1273 M CB -0.072 32.516 32.600 -0.021 0.000 1.361 1273 M HN 0.220 nan 8.290 nan 0.000 0.408 1274 I N 0.153 120.708 120.570 -0.025 0.000 2.226 1274 I HA -0.274 3.896 4.170 0.001 0.000 0.245 1274 I C 2.342 178.446 176.117 -0.022 0.000 1.100 1274 I CA 1.443 62.728 61.300 -0.024 0.000 1.374 1274 I CB -0.575 37.409 38.000 -0.026 0.000 1.057 1274 I HN 0.361 nan 8.210 nan 0.000 0.413 1275 E N 1.620 121.808 120.200 -0.021 0.000 2.153 1275 E HA -0.207 4.143 4.350 0.001 0.000 0.194 1275 E C 2.000 178.591 176.600 -0.016 0.000 0.988 1275 E CA 1.521 57.910 56.400 -0.018 0.000 0.811 1275 E CB -0.038 29.651 29.700 -0.017 0.000 0.746 1275 E HN 0.319 nan 8.360 nan 0.000 0.466 1276 K N -0.224 120.167 120.400 -0.017 0.000 2.103 1276 K HA -0.021 4.299 4.320 0.001 0.000 0.204 1276 K C 2.187 178.777 176.600 -0.016 0.000 1.052 1276 K CA 1.292 57.570 56.287 -0.014 0.000 0.945 1276 K CB -0.115 32.378 32.500 -0.013 0.000 0.722 1276 K HN 0.228 nan 8.250 nan 0.000 0.443 1277 I N 1.049 121.608 120.570 -0.019 0.000 2.202 1277 I HA -0.241 3.929 4.170 0.001 0.000 0.242 1277 I C 2.520 178.624 176.117 -0.021 0.000 1.091 1277 I CA 1.000 62.286 61.300 -0.023 0.000 1.368 1277 I CB -0.417 37.566 38.000 -0.029 0.000 1.058 1277 I HN 0.109 nan 8.210 nan 0.000 0.410 1278 A N 0.345 123.153 122.820 -0.019 0.000 1.940 1278 A HA -0.273 4.048 4.320 0.001 0.000 0.219 1278 A C 2.328 179.904 177.584 -0.015 0.000 1.176 1278 A CA 1.978 54.005 52.037 -0.017 0.000 0.631 1278 A CB -0.645 18.345 19.000 -0.016 0.000 0.814 1278 A HN 0.528 nan 8.150 nan 0.000 0.446 1279 E N -0.073 120.119 120.200 -0.014 0.000 2.051 1279 E HA -0.165 4.186 4.350 0.001 0.000 0.192 1279 E C 1.971 178.564 176.600 -0.011 0.000 0.991 1279 E CA 1.073 57.466 56.400 -0.011 0.000 0.799 1279 E CB -0.231 29.463 29.700 -0.010 0.000 0.748 1279 E HN 0.618 nan 8.360 nan 0.000 0.449 1280 L N 0.530 121.746 121.223 -0.012 0.000 2.043 1280 L HA -0.221 4.120 4.340 0.001 0.000 0.212 1280 L C 2.599 179.462 176.870 -0.013 0.000 1.075 1280 L CA 1.082 55.914 54.840 -0.012 0.000 0.752 1280 L CB -0.393 41.658 42.059 -0.015 0.000 0.891 1280 L HN 0.155 nan 8.230 nan 0.000 0.432 1281 V N -0.370 119.535 119.914 -0.015 0.000 2.358 1281 V HA -0.274 3.846 4.120 0.001 0.000 0.246 1281 V C 2.582 178.668 176.094 -0.012 0.000 1.047 1281 V CA 1.865 64.156 62.300 -0.015 0.000 1.035 1281 V CB -0.665 31.148 31.823 -0.017 0.000 0.658 1281 V HN 0.457 nan 8.190 nan 0.000 0.452 1282 R N 0.072 120.565 120.500 -0.011 0.000 2.148 1282 R HA -0.147 4.193 4.340 0.001 0.000 0.227 1282 R C 1.276 177.571 176.300 -0.008 0.000 1.103 1282 R CA 1.637 57.731 56.100 -0.009 0.000 0.983 1282 R CB -0.102 30.192 30.300 -0.009 0.000 0.874 1282 R HN 0.466 nan 8.270 nan 0.000 0.451 1283 D N 0.164 120.559 120.400 -0.008 0.000 2.349 1283 D HA 0.055 4.695 4.640 0.001 0.000 0.214 1283 D C -0.190 176.106 176.300 -0.006 0.000 1.063 1283 D CA 0.209 54.205 54.000 -0.007 0.000 0.847 1283 D CB 0.428 41.224 40.800 -0.006 0.000 0.933 1283 D HN 0.112 nan 8.370 nan 0.000 0.513 1284 K N -0.131 120.264 120.400 -0.008 0.000 3.069 1284 K HA -0.235 4.086 4.320 0.001 0.000 0.267 1284 K C 0.636 177.232 176.600 -0.007 0.000 1.082 1284 K CA 0.465 56.747 56.287 -0.008 0.000 0.782 1284 K CB -1.095 31.401 32.500 -0.006 0.000 1.230 1284 K HN 0.183 nan 8.250 nan 0.000 0.488 1285 K N 0.195 120.590 120.400 -0.008 0.000 2.444 1285 K HA 0.223 4.544 4.320 0.001 0.000 0.193 1285 K C 0.551 177.146 176.600 -0.008 0.000 1.024 1285 K CA 0.403 56.686 56.287 -0.007 0.000 1.077 1285 K CB 0.369 32.866 32.500 -0.006 0.000 0.833 1285 K HN 0.316 nan 8.250 nan 0.000 0.517 1286 I N 0.532 121.095 120.570 -0.011 0.000 2.692 1286 I HA 0.126 4.296 4.170 0.001 0.000 0.293 1286 I C -1.995 174.113 176.117 -0.015 0.000 1.200 1286 I CA -0.883 60.409 61.300 -0.014 0.000 1.036 1286 I CB 2.238 40.226 38.000 -0.020 0.000 1.258 1286 I HN -0.133 nan 8.210 nan 0.000 0.421 1287 D N 4.402 124.793 120.400 -0.015 0.000 2.163 1287 D HA 0.699 5.340 4.640 0.001 0.000 0.248 1287 D C 0.645 176.935 176.300 -0.017 0.000 1.035 1287 D CA 0.867 54.858 54.000 -0.014 0.000 0.872 1287 D CB 1.718 42.511 40.800 -0.011 0.000 1.183 1287 D HN 0.851 nan 8.370 nan 0.000 0.445 1288 G N 2.376 111.166 108.800 -0.017 0.000 2.201 1288 G HA2 -0.179 3.781 3.960 0.001 0.000 0.212 1288 G HA3 -0.179 3.781 3.960 0.001 0.000 0.212 1288 G C 0.211 175.098 174.900 -0.020 0.000 0.994 1288 G CA -0.099 44.990 45.100 -0.018 0.000 0.644 1288 G HN 0.513 nan 8.290 nan 0.000 0.508 1289 I N 2.203 122.760 120.570 -0.022 0.000 2.365 1289 I HA 0.403 4.574 4.170 0.001 0.000 0.291 1289 I C 1.665 177.771 176.117 -0.019 0.000 1.004 1289 I CA 0.372 61.658 61.300 -0.023 0.000 1.311 1289 I CB 1.681 39.665 38.000 -0.027 0.000 1.401 1289 I HN 0.226 nan 8.210 nan 0.000 0.491 1290 T N -0.607 113.936 114.554 -0.018 0.000 2.971 1290 T HA 0.216 4.566 4.350 0.001 0.000 0.252 1290 T C 0.122 174.813 174.700 -0.014 0.000 1.022 1290 T CA -0.062 62.029 62.100 -0.014 0.000 0.980 1290 T CB 0.342 69.202 68.868 -0.013 0.000 1.044 1290 T HN 0.535 nan 8.240 nan 0.000 0.501 1291 D N -0.324 120.066 120.400 -0.016 0.000 2.663 1291 D HA 0.561 5.201 4.640 0.001 0.000 0.233 1291 D C -2.278 174.011 176.300 -0.019 0.000 1.240 1291 D CA -0.642 53.349 54.000 -0.016 0.000 0.774 1291 D CB 2.255 43.047 40.800 -0.014 0.000 1.443 1291 D HN 0.161 nan 8.370 nan 0.000 0.441 1292 L N 2.281 123.493 121.223 -0.018 0.000 2.482 1292 L HA 0.606 4.947 4.340 0.001 0.000 0.269 1292 L C -1.463 175.396 176.870 -0.018 0.000 0.967 1292 L CA -0.128 54.700 54.840 -0.020 0.000 0.851 1292 L CB 1.310 43.356 42.059 -0.021 0.000 1.242 1292 L HN 0.454 nan 8.230 nan 0.000 0.404 1293 R N 2.610 123.099 120.500 -0.018 0.000 2.686 1293 R HA 0.461 4.801 4.340 0.001 0.000 0.283 1293 R C -1.515 174.775 176.300 -0.017 0.000 0.978 1293 R CA -1.008 55.082 56.100 -0.016 0.000 0.897 1293 R CB 2.143 32.435 30.300 -0.014 0.000 1.192 1293 R HN 0.486 nan 8.270 nan 0.000 0.457 1294 D N 1.992 122.382 120.400 -0.017 0.000 2.396 1294 D HA 0.083 4.724 4.640 0.001 0.000 0.225 1294 D C -0.139 176.152 176.300 -0.015 0.000 1.121 1294 D CA -0.117 53.872 54.000 -0.019 0.000 0.853 1294 D CB 0.982 41.768 40.800 -0.023 0.000 1.043 1294 D HN 0.504 nan 8.370 nan 0.000 0.500 1295 E N 1.695 121.888 120.200 -0.013 0.000 2.451 1295 E HA 0.077 4.428 4.350 0.001 0.000 0.194 1295 E C 0.051 176.646 176.600 -0.008 0.000 1.027 1295 E CA -0.128 56.266 56.400 -0.009 0.000 0.914 1295 E CB 0.479 30.175 29.700 -0.007 0.000 1.054 1295 E HN 0.360 nan 8.360 nan 0.000 0.461 1296 T N 1.699 116.246 114.554 -0.011 0.000 2.934 1296 T HA 0.132 4.482 4.350 0.001 0.000 0.306 1296 T C 0.204 174.900 174.700 -0.007 0.000 1.042 1296 T CA 0.219 62.312 62.100 -0.011 0.000 1.145 1296 T CB 0.688 69.544 68.868 -0.020 0.000 0.982 1296 T HN 0.223 nan 8.240 nan 0.000 0.544 1297 S N 2.119 117.818 115.700 -0.001 0.000 2.615 1297 S HA 0.431 4.902 4.470 0.001 0.000 0.269 1297 S C 0.766 175.372 174.600 0.010 0.000 1.161 1297 S CA -1.067 57.134 58.200 0.003 0.000 0.817 1297 S CB 0.695 63.897 63.200 0.003 0.000 1.131 1297 S HN 0.429 nan 8.310 nan 0.000 0.467 1298 L N 0.312 121.543 121.223 0.013 0.000 2.046 1298 L HA -0.069 4.271 4.340 0.001 0.000 0.208 1298 L C 2.691 179.573 176.870 0.019 0.000 1.077 1298 L CA 1.317 56.169 54.840 0.021 0.000 0.747 1298 L CB -0.451 41.621 42.059 0.022 0.000 0.896 1298 L HN 0.636 nan 8.230 nan 0.000 0.432 1299 R N -0.910 119.599 120.500 0.014 0.000 2.075 1299 R HA -0.046 4.295 4.340 0.001 0.000 0.226 1299 R C 2.241 178.549 176.300 0.013 0.000 1.114 1299 R CA 1.427 57.535 56.100 0.013 0.000 0.972 1299 R CB -1.048 29.259 30.300 0.010 0.000 0.869 1299 R HN 0.145 nan 8.270 nan 0.000 0.437 1300 T N -0.447 114.113 114.554 0.010 0.000 3.014 1300 T HA 0.239 4.589 4.350 0.001 0.000 0.263 1300 T C 0.772 175.479 174.700 0.012 0.000 1.078 1300 T CA 0.930 63.036 62.100 0.009 0.000 1.135 1300 T CB -0.179 68.692 68.868 0.006 0.000 0.895 1300 T HN 0.559 nan 8.240 nan 0.000 0.480 1301 G N 0.795 109.604 108.800 0.014 0.000 2.760 1301 G HA2 -0.196 3.764 3.960 0.001 0.000 0.246 1301 G HA3 -0.196 3.764 3.960 0.001 0.000 0.246 1301 G C -0.358 174.548 174.900 0.011 0.000 1.359 1301 G CA -0.695 44.415 45.100 0.017 0.000 0.861 1301 G HN 0.344 nan 8.290 nan 0.000 0.541 1302 V N 1.148 121.069 119.914 0.012 0.000 2.540 1302 V HA 0.414 4.534 4.120 0.001 0.000 0.297 1302 V C 1.056 177.152 176.094 0.004 0.000 1.024 1302 V CA 1.477 63.779 62.300 0.003 0.000 1.105 1302 V CB 0.929 32.755 31.823 0.006 0.000 0.938 1302 V HN 0.901 nan 8.190 nan 0.000 0.482 1303 R N 4.128 124.626 120.500 -0.002 0.000 2.810 1303 R HA 0.487 4.828 4.340 0.001 0.000 0.280 1303 R C -1.931 174.365 176.300 -0.007 0.000 1.517 1303 R CA -0.376 55.723 56.100 -0.002 0.000 1.063 1303 R CB 1.623 31.922 30.300 -0.000 0.000 1.275 1303 R HN 0.530 nan 8.270 nan 0.000 0.464 1304 V N 4.811 124.720 119.914 -0.008 0.000 2.394 1304 V HA 0.415 4.535 4.120 0.001 0.000 0.282 1304 V C -0.017 176.069 176.094 -0.015 0.000 1.031 1304 V CA -0.684 61.608 62.300 -0.014 0.000 0.881 1304 V CB 1.692 33.505 31.823 -0.016 0.000 0.982 1304 V HN 0.381 nan 8.190 nan 0.000 0.451 1305 V N 6.563 126.467 119.914 -0.016 0.000 2.435 1305 V HA 0.533 4.653 4.120 0.001 0.000 0.290 1305 V C -0.224 175.856 176.094 -0.022 0.000 1.030 1305 V CA -0.416 61.874 62.300 -0.017 0.000 0.881 1305 V CB 1.809 33.624 31.823 -0.013 0.000 0.983 1305 V HN 0.711 nan 8.190 nan 0.000 0.445 1306 I N 3.616 124.170 120.570 -0.027 0.000 2.466 1306 I HA 0.345 4.515 4.170 0.001 0.000 0.279 1306 I C -0.689 175.411 176.117 -0.028 0.000 1.033 1306 I CA -0.512 60.769 61.300 -0.032 0.000 1.123 1306 I CB 1.470 39.443 38.000 -0.045 0.000 1.237 1306 I HN 0.482 nan 8.210 nan 0.000 0.460 1307 D N 5.492 125.878 120.400 -0.023 0.000 2.389 1307 D HA 0.241 4.881 4.640 0.001 0.000 0.247 1307 D C -0.155 176.133 176.300 -0.022 0.000 1.128 1307 D CA 0.156 54.144 54.000 -0.020 0.000 0.884 1307 D CB 2.011 42.802 40.800 -0.016 0.000 1.194 1307 D HN 0.041 nan 8.370 nan 0.000 0.441 1308 V N 2.821 122.723 119.914 -0.020 0.000 2.547 1308 V HA 0.278 4.398 4.120 0.001 0.000 0.299 1308 V C 0.710 176.795 176.094 -0.015 0.000 1.040 1308 V CA -0.926 61.362 62.300 -0.020 0.000 0.913 1308 V CB 1.868 33.677 31.823 -0.022 0.000 0.992 1308 V HN 0.426 nan 8.190 nan 0.000 0.449 1309 R N 3.123 123.614 120.500 -0.015 0.000 2.623 1309 R HA 0.101 4.442 4.340 0.001 0.000 0.271 1309 R C 0.351 176.645 176.300 -0.010 0.000 1.043 1309 R CA -0.244 55.849 56.100 -0.012 0.000 1.083 1309 R CB 0.362 30.655 30.300 -0.011 0.000 0.974 1309 R HN 0.707 nan 8.270 nan 0.000 0.436 1310 K N 2.865 123.260 120.400 -0.008 0.000 2.484 1310 K HA -0.153 4.167 4.320 0.001 0.000 0.280 1310 K C -0.451 176.146 176.600 -0.006 0.000 1.013 1310 K CA 0.809 57.093 56.287 -0.007 0.000 1.029 1310 K CB 0.338 32.835 32.500 -0.006 0.000 0.902 1310 K HN 0.756 nan 8.250 nan 0.000 0.481 1311 D N -0.216 120.180 120.400 -0.006 0.000 2.792 1311 D HA -0.194 4.447 4.640 0.001 0.000 0.192 1311 D C -0.446 175.851 176.300 -0.005 0.000 1.007 1311 D CA 1.585 55.582 54.000 -0.005 0.000 1.020 1311 D CB -1.220 39.578 40.800 -0.004 0.000 1.089 1311 D HN 0.646 nan 8.370 nan 0.000 0.438 1312 A N 0.539 123.355 122.820 -0.007 0.000 2.354 1312 A HA 0.395 4.715 4.320 0.001 0.000 0.269 1312 A C 0.586 178.165 177.584 -0.009 0.000 1.109 1312 A CA -0.134 51.898 52.037 -0.009 0.000 0.800 1312 A CB 0.495 19.489 19.000 -0.011 0.000 1.045 1312 A HN 0.137 nan 8.150 nan 0.000 0.489 1313 N N 1.990 120.685 118.700 -0.009 0.000 2.405 1313 N HA 0.204 4.944 4.740 0.001 0.000 0.260 1313 N C 1.049 176.551 175.510 -0.013 0.000 1.152 1313 N CA 0.544 53.589 53.050 -0.008 0.000 0.948 1313 N CB 1.153 39.637 38.487 -0.004 0.000 1.111 1313 N HN 0.603 nan 8.380 nan 0.000 0.485 1314 A N 3.293 126.104 122.820 -0.015 0.000 1.972 1314 A HA -0.102 4.218 4.320 0.001 0.000 0.219 1314 A C 2.148 179.715 177.584 -0.029 0.000 1.169 1314 A CA 1.388 53.411 52.037 -0.023 0.000 0.635 1314 A CB -0.234 18.754 19.000 -0.020 0.000 0.810 1314 A HN 0.690 nan 8.150 nan 0.000 0.446 1315 S N -0.502 115.190 115.700 -0.014 0.000 2.387 1315 S HA -0.086 4.384 4.470 0.001 0.000 0.226 1315 S C 1.854 176.449 174.600 -0.008 0.000 1.026 1315 S CA 1.229 59.425 58.200 -0.006 0.000 0.972 1315 S CB -0.320 62.888 63.200 0.012 0.000 0.814 1315 S HN 0.351 nan 8.310 nan 0.000 0.477 1316 V N 2.339 122.248 119.914 -0.009 0.000 2.295 1316 V HA -0.159 3.962 4.120 0.001 0.000 0.246 1316 V C 2.075 178.154 176.094 -0.026 0.000 1.049 1316 V CA 1.501 63.796 62.300 -0.007 0.000 1.024 1316 V CB -0.657 31.163 31.823 -0.005 0.000 0.648 1316 V HN 0.453 nan 8.190 nan 0.000 0.447 1317 I N -0.438 120.108 120.570 -0.039 0.000 2.163 1317 I HA -0.263 3.907 4.170 0.001 0.000 0.243 1317 I C 2.451 178.503 176.117 -0.109 0.000 1.085 1317 I CA 1.484 62.749 61.300 -0.059 0.000 1.347 1317 I CB -0.462 37.505 38.000 -0.054 0.000 1.044 1317 I HN 0.324 nan 8.210 nan 0.000 0.408 1318 L N 1.397 122.537 121.223 -0.138 0.000 2.012 1318 L HA -0.230 4.110 4.340 0.001 0.000 0.210 1318 L C 2.151 178.802 176.870 -0.364 0.000 1.073 1318 L CA 1.976 56.643 54.840 -0.288 0.000 0.748 1318 L CB -1.015 40.903 42.059 -0.235 0.000 0.891 1318 L HN 0.216 nan 8.230 nan 0.000 0.431 1319 N N 0.174 118.810 118.700 -0.107 0.000 2.120 1319 N HA -0.174 4.566 4.740 0.001 0.000 0.188 1319 N C 1.615 177.144 175.510 0.032 0.000 1.024 1319 N CA 1.409 54.495 53.050 0.060 0.000 0.852 1319 N CB -0.643 37.900 38.487 0.092 0.000 1.003 1319 N HN 0.444 nan 8.380 nan 0.000 0.424 1320 N N 1.089 119.776 118.700 -0.022 0.000 2.120 1320 N HA -0.048 4.693 4.740 0.001 0.000 0.188 1320 N C 1.927 177.418 175.510 -0.032 0.000 1.024 1320 N CA 0.488 53.529 53.050 -0.015 0.000 0.852 1320 N CB -0.452 38.022 38.487 -0.023 0.000 1.003 1320 N HN 0.263 nan 8.380 nan 0.000 0.424 1321 L N -0.211 120.948 121.223 -0.108 0.000 2.042 1321 L HA -0.203 4.137 4.340 0.001 0.000 0.210 1321 L C 2.083 178.918 176.870 -0.059 0.000 1.076 1321 L CA 1.170 55.934 54.840 -0.125 0.000 0.749 1321 L CB -0.581 41.347 42.059 -0.218 0.000 0.893 1321 L HN 0.136 nan 8.230 nan 0.000 0.432 1322 Y N 0.182 120.481 120.300 -0.002 0.000 2.128 1322 Y HA -0.302 4.248 4.550 0.001 0.000 0.284 1322 Y C 2.684 178.583 175.900 -0.001 0.000 1.154 1322 Y CA 1.477 59.576 58.100 -0.001 0.000 1.149 1322 Y CB -0.673 37.788 38.460 0.002 0.000 0.976 1322 Y HN 0.127 nan 8.280 nan 0.000 0.505 1323 K N 0.317 120.814 120.400 0.162 0.000 2.097 1323 K HA -0.199 4.121 4.320 0.001 0.000 0.205 1323 K C 1.526 178.158 176.600 0.054 0.000 1.050 1323 K CA 1.792 58.133 56.287 0.089 0.000 0.938 1323 K CB -0.101 32.439 32.500 0.066 0.000 0.718 1323 K HN 0.437 nan 8.250 nan 0.000 0.442 1324 Q N 0.060 119.883 119.800 0.039 0.000 2.384 1324 Q HA 0.030 4.371 4.340 0.001 0.000 0.207 1324 Q C 0.242 176.251 176.000 0.015 0.000 0.904 1324 Q CA 0.591 56.406 55.803 0.019 0.000 0.933 1324 Q CB 1.137 29.878 28.738 0.006 0.000 1.077 1324 Q HN 0.354 nan 8.270 nan 0.000 0.522 1325 T N -3.787 110.782 114.554 0.024 0.000 2.864 1325 T HA 0.352 4.702 4.350 0.001 0.000 0.289 1325 T C -2.611 172.110 174.700 0.034 0.000 1.082 1325 T CA -2.130 59.980 62.100 0.017 0.000 1.009 1325 T CB 1.713 70.582 68.868 0.001 0.000 1.234 1325 T HN -0.337 nan 8.240 nan 0.000 0.526 1326 P HA 0.169 nan 4.420 nan 0.000 0.247 1326 P C 1.267 178.595 177.300 0.046 0.000 1.225 1326 P CA -0.170 62.944 63.100 0.022 0.000 0.768 1326 P CB -0.159 31.541 31.700 -0.001 0.000 1.020 1327 L N -0.552 120.716 121.223 0.075 0.000 2.127 1327 L HA -0.089 4.251 4.340 0.001 0.000 0.211 1327 L C 0.983 177.983 176.870 0.218 0.000 1.089 1327 L CA 1.769 56.687 54.840 0.130 0.000 0.757 1327 L CB -0.504 41.616 42.059 0.102 0.000 0.899 1327 L HN 0.012 nan 8.230 nan 0.000 0.434 1328 Q N -0.702 119.215 119.800 0.195 0.000 2.330 1328 Q HA 0.414 4.755 4.340 0.001 0.000 0.269 1328 Q C -1.360 174.667 176.000 0.045 0.000 1.022 1328 Q CA -0.416 55.444 55.803 0.094 0.000 0.796 1328 Q CB 1.419 30.193 28.738 0.060 0.000 1.271 1328 Q HN 0.108 nan 8.270 nan 0.000 0.450 1329 T N 1.847 116.410 114.554 0.014 0.000 2.909 1329 T HA 0.347 4.698 4.350 0.001 0.000 0.299 1329 T C -1.115 173.594 174.700 0.016 0.000 1.073 1329 T CA -0.596 61.508 62.100 0.007 0.000 0.999 1329 T CB 1.813 70.676 68.868 -0.007 0.000 1.098 1329 T HN 0.496 nan 8.240 nan 0.000 0.477 1330 S N 1.430 117.142 115.700 0.020 0.000 2.554 1330 S HA 0.641 5.112 4.470 0.001 0.000 0.278 1330 S C -0.964 173.686 174.600 0.083 0.000 1.242 1330 S CA -0.640 57.590 58.200 0.049 0.000 1.051 1330 S CB 0.107 63.322 63.200 0.025 0.000 0.986 1330 S HN 0.545 nan 8.310 nan 0.000 0.502 1331 F N 3.867 123.826 119.950 0.015 0.000 2.361 1331 F HA 0.574 5.102 4.527 0.001 0.000 0.364 1331 F C 0.667 176.500 175.800 0.055 0.000 1.117 1331 F CA -0.600 57.429 58.000 0.050 0.000 1.071 1331 F CB 0.628 39.701 39.000 0.122 0.000 1.188 1331 F HN 0.682 nan 8.300 nan 0.000 0.464 1332 G N 6.459 115.148 108.800 -0.183 0.000 2.530 1332 G HA2 0.403 4.363 3.960 0.001 0.000 0.313 1332 G HA3 0.403 4.363 3.960 0.001 0.000 0.313 1332 G C -0.617 174.271 174.900 -0.020 0.000 0.971 1332 G CA -0.427 44.637 45.100 -0.060 0.000 1.237 1332 G HN 0.528 nan 8.290 nan 0.000 0.446 1333 V N 2.748 122.795 119.914 0.221 0.000 2.585 1333 V HA 0.110 4.231 4.120 0.001 0.000 0.296 1333 V C 0.707 176.891 176.094 0.149 0.000 1.035 1333 V CA 0.021 62.496 62.300 0.292 0.000 1.084 1333 V CB 0.933 32.924 31.823 0.281 0.000 0.953 1333 V HN 0.836 nan 8.190 nan 0.000 0.483 1334 N N 4.893 123.680 118.700 0.144 0.000 2.751 1334 N HA 0.267 5.008 4.740 0.001 0.000 0.234 1334 N C -0.494 175.077 175.510 0.101 0.000 1.403 1334 N CA -0.535 52.569 53.050 0.090 0.000 0.747 1334 N CB 0.528 39.043 38.487 0.047 0.000 1.326 1334 N HN 0.652 nan 8.380 nan 0.000 0.532 1335 M N 3.710 123.377 119.600 0.111 0.000 3.254 1335 M HA 0.238 4.718 4.480 0.001 0.000 0.257 1335 M C -0.405 175.933 176.300 0.064 0.000 1.490 1335 M CA 0.425 55.787 55.300 0.102 0.000 1.620 1335 M CB -0.422 32.247 32.600 0.116 0.000 1.157 1335 M HN 0.308 nan 8.290 nan 0.000 0.541 1336 I N 1.876 122.476 120.570 0.051 0.000 2.354 1336 I HA 0.683 4.853 4.170 0.001 0.000 0.292 1336 I C 0.048 176.171 176.117 0.010 0.000 0.989 1336 I CA -0.500 60.815 61.300 0.025 0.000 1.188 1336 I CB 1.569 39.581 38.000 0.020 0.000 1.342 1336 I HN 0.571 nan 8.210 nan 0.000 0.457 1337 A N 6.586 129.397 122.820 -0.014 0.000 2.594 1337 A HA 0.753 5.073 4.320 0.001 0.000 0.291 1337 A C -1.113 176.425 177.584 -0.076 0.000 1.105 1337 A CA -0.670 51.346 52.037 -0.037 0.000 0.694 1337 A CB 1.370 20.350 19.000 -0.033 0.000 1.291 1337 A HN 0.611 nan 8.150 nan 0.000 0.410 1338 L N 1.154 122.320 121.223 -0.095 0.000 2.313 1338 L HA 0.439 4.780 4.340 0.001 0.000 0.282 1338 L C -0.835 175.922 176.870 -0.189 0.000 1.092 1338 L CA -0.476 54.283 54.840 -0.136 0.000 0.831 1338 L CB 0.888 42.878 42.059 -0.116 0.000 1.159 1338 L HN 0.371 nan 8.230 nan 0.000 0.442 1339 V N 4.024 123.798 119.914 -0.233 0.000 2.378 1339 V HA 0.270 4.390 4.120 0.001 0.000 0.288 1339 V C 0.099 176.028 176.094 -0.276 0.000 1.016 1339 V CA -0.735 61.370 62.300 -0.327 0.000 0.840 1339 V CB 1.264 32.856 31.823 -0.385 0.000 0.994 1339 V HN 0.890 nan 8.190 nan 0.000 0.431 1340 N N 4.009 122.562 118.700 -0.245 0.000 2.740 1340 N HA -0.208 4.532 4.740 0.001 0.000 0.248 1340 N C 1.188 176.590 175.510 -0.179 0.000 1.062 1340 N CA 1.380 54.322 53.050 -0.180 0.000 0.704 1340 N CB -1.037 37.358 38.487 -0.153 0.000 0.968 1340 N HN 1.546 nan 8.380 nan 0.000 0.547 1341 G N -0.973 107.720 108.800 -0.177 0.000 2.155 1341 G HA2 -0.369 3.591 3.960 0.001 0.000 0.257 1341 G HA3 -0.369 3.591 3.960 0.001 0.000 0.257 1341 G C 0.084 174.813 174.900 -0.286 0.000 0.983 1341 G CA 0.897 45.904 45.100 -0.153 0.000 0.676 1341 G HN 0.640 nan 8.290 nan 0.000 0.528 1342 R N 0.270 120.523 120.500 -0.411 0.000 2.686 1342 R HA 0.527 4.868 4.340 0.001 0.000 0.286 1342 R C -2.743 173.343 176.300 -0.356 0.000 0.969 1342 R CA -2.113 53.576 56.100 -0.685 0.000 0.898 1342 R CB 2.452 32.248 30.300 -0.840 0.000 1.183 1342 R HN 0.067 nan 8.270 nan 0.000 0.456 1343 P HA 0.109 nan 4.420 nan 0.000 0.276 1343 P C -1.249 175.988 177.300 -0.104 0.000 1.230 1343 P CA -0.112 62.915 63.100 -0.121 0.000 0.776 1343 P CB 0.996 32.670 31.700 -0.043 0.000 0.888 1344 K N 2.854 123.209 120.400 -0.074 0.000 2.525 1344 K HA 0.376 4.697 4.320 0.001 0.000 0.254 1344 K C -1.359 175.235 176.600 -0.011 0.000 0.934 1344 K CA -1.030 55.230 56.287 -0.046 0.000 0.802 1344 K CB 1.655 34.119 32.500 -0.061 0.000 1.295 1344 K HN 0.246 nan 8.250 nan 0.000 0.433 1345 L N 6.749 127.977 121.223 0.008 0.000 2.313 1345 L HA 0.438 4.779 4.340 0.001 0.000 0.282 1345 L C -0.655 176.236 176.870 0.035 0.000 1.092 1345 L CA 0.129 54.984 54.840 0.026 0.000 0.831 1345 L CB 0.305 42.382 42.059 0.030 0.000 1.159 1345 L HN 0.565 nan 8.230 nan 0.000 0.442 1346 I N 2.083 122.680 120.570 0.046 0.000 2.785 1346 I HA 0.653 4.823 4.170 0.001 0.000 0.302 1346 I C -0.568 175.583 176.117 0.055 0.000 1.069 1346 I CA -0.992 60.340 61.300 0.053 0.000 1.045 1346 I CB 1.991 40.033 38.000 0.070 0.000 1.236 1346 I HN 0.691 nan 8.210 nan 0.000 0.429 1347 N N 3.595 122.321 118.700 0.044 0.000 2.476 1347 N HA 0.198 4.938 4.740 0.001 0.000 0.287 1347 N C 0.512 176.030 175.510 0.014 0.000 1.262 1347 N CA -0.763 52.318 53.050 0.053 0.000 0.980 1347 N CB 0.519 39.035 38.487 0.048 0.000 1.163 1347 N HN 0.830 nan 8.380 nan 0.000 0.592 1348 L N -0.371 120.848 121.223 -0.006 0.000 2.012 1348 L HA -0.066 4.274 4.340 0.001 0.000 0.210 1348 L C 2.226 179.005 176.870 -0.151 0.000 1.073 1348 L CA 1.931 56.674 54.840 -0.161 0.000 0.748 1348 L CB -0.831 40.995 42.059 -0.389 0.000 0.891 1348 L HN 0.825 nan 8.230 nan 0.000 0.431 1349 K N -0.532 119.805 120.400 -0.106 0.000 2.026 1349 K HA -0.270 4.050 4.320 0.001 0.000 0.208 1349 K C 2.173 178.709 176.600 -0.108 0.000 1.048 1349 K CA 1.829 58.055 56.287 -0.102 0.000 0.929 1349 K CB -0.256 32.198 32.500 -0.076 0.000 0.713 1349 K HN 0.531 nan 8.250 nan 0.000 0.439 1350 E N -0.049 120.094 120.200 -0.094 0.000 2.085 1350 E HA -0.228 4.123 4.350 0.001 0.000 0.194 1350 E C 1.746 178.284 176.600 -0.104 0.000 0.994 1350 E CA 1.220 57.537 56.400 -0.138 0.000 0.801 1350 E CB -0.169 29.501 29.700 -0.050 0.000 0.743 1350 E HN 0.440 nan 8.360 nan 0.000 0.453 1351 A N 0.901 123.709 122.820 -0.021 0.000 1.883 1351 A HA -0.167 4.154 4.320 0.001 0.000 0.217 1351 A C 2.208 179.799 177.584 0.012 0.000 1.186 1351 A CA 1.393 53.443 52.037 0.020 0.000 0.624 1351 A CB -0.681 18.295 19.000 -0.039 0.000 0.822 1351 A HN 0.330 nan 8.150 nan 0.000 0.444 1352 L N -0.704 120.490 121.223 -0.049 0.000 2.093 1352 L HA -0.130 4.210 4.340 0.001 0.000 0.208 1352 L C 2.510 179.389 176.870 0.015 0.000 1.085 1352 L CA 0.834 55.667 54.840 -0.011 0.000 0.755 1352 L CB -0.553 41.463 42.059 -0.071 0.000 0.904 1352 L HN 0.237 nan 8.230 nan 0.000 0.435 1353 V N -0.724 119.140 119.914 -0.083 0.000 2.295 1353 V HA -0.297 3.823 4.120 0.001 0.000 0.246 1353 V C 2.561 178.586 176.094 -0.115 0.000 1.049 1353 V CA 1.678 63.894 62.300 -0.139 0.000 1.024 1353 V CB -0.762 30.914 31.823 -0.246 0.000 0.648 1353 V HN 0.451 nan 8.190 nan 0.000 0.447 1354 H N -1.589 117.483 119.070 0.002 0.000 2.387 1354 H HA -0.188 4.368 4.556 0.001 0.000 0.299 1354 H C 2.122 177.464 175.328 0.024 0.000 1.090 1354 H CA 2.113 58.159 56.048 -0.003 0.000 1.332 1354 H CB -0.397 29.355 29.762 -0.017 0.000 1.386 1354 H HN 0.623 nan 8.280 nan 0.000 0.516 1355 Y N 0.950 121.289 120.300 0.065 0.000 2.163 1355 Y HA -0.183 4.367 4.550 0.000 0.000 0.288 1355 Y C 2.529 178.457 175.900 0.047 0.000 1.136 1355 Y CA 0.908 59.032 58.100 0.040 0.000 1.147 1355 Y CB -0.306 38.145 38.460 -0.014 0.000 0.987 1355 Y HN 0.064 nan 8.280 nan 0.000 0.509 1356 L N 0.943 122.087 121.223 -0.133 0.000 2.046 1356 L HA -0.171 4.169 4.340 0.001 0.000 0.208 1356 L C 2.113 178.870 176.870 -0.187 0.000 1.077 1356 L CA 2.148 56.868 54.840 -0.200 0.000 0.747 1356 L CB -0.930 41.091 42.059 -0.063 0.000 0.896 1356 L HN 0.253 nan 8.230 nan 0.000 0.432 1357 E N -1.296 118.846 120.200 -0.096 0.000 2.150 1357 E HA -0.266 4.085 4.350 0.001 0.000 0.193 1357 E C 2.193 178.761 176.600 -0.054 0.000 0.985 1357 E CA 1.296 57.663 56.400 -0.055 0.000 0.814 1357 E CB -0.212 29.491 29.700 0.005 0.000 0.752 1357 E HN 0.718 nan 8.360 nan 0.000 0.466 1358 H N -0.115 118.841 119.070 -0.190 0.000 2.357 1358 H HA -0.007 4.550 4.556 0.001 0.000 0.301 1358 H C 1.720 176.897 175.328 -0.251 0.000 1.082 1358 H CA 1.770 57.696 56.048 -0.203 0.000 1.342 1358 H CB 0.148 29.785 29.762 -0.207 0.000 1.389 1358 H HN 0.062 nan 8.280 nan 0.000 0.511 1359 Q N 0.784 120.313 119.800 -0.451 0.000 2.119 1359 Q HA -0.100 4.241 4.340 0.001 0.000 0.201 1359 Q C 2.207 178.045 176.000 -0.270 0.000 0.972 1359 Q CA 1.273 56.816 55.803 -0.434 0.000 0.847 1359 Q CB -0.133 28.339 28.738 -0.445 0.000 0.903 1359 Q HN 0.532 nan 8.270 nan 0.000 0.433 1360 K N -0.056 120.222 120.400 -0.202 0.000 2.026 1360 K HA -0.083 4.237 4.320 0.001 0.000 0.208 1360 K C 2.241 178.766 176.600 -0.125 0.000 1.048 1360 K CA 1.667 57.874 56.287 -0.133 0.000 0.929 1360 K CB -0.167 32.274 32.500 -0.097 0.000 0.713 1360 K HN 0.137 nan 8.250 nan 0.000 0.439 1361 T N 0.978 115.451 114.554 -0.136 0.000 2.746 1361 T HA -0.105 4.245 4.350 0.001 0.000 0.267 1361 T C 2.041 176.654 174.700 -0.145 0.000 1.039 1361 T CA 1.163 63.196 62.100 -0.112 0.000 1.142 1361 T CB -0.202 68.621 68.868 -0.076 0.000 0.866 1361 T HN -0.058 nan 8.240 nan 0.000 0.444 1362 V N 1.219 120.983 119.914 -0.250 0.000 2.261 1362 V HA -0.148 3.972 4.120 0.001 0.000 0.246 1362 V C 2.679 178.686 176.094 -0.145 0.000 1.047 1362 V CA 1.413 63.565 62.300 -0.247 0.000 1.015 1362 V CB -0.684 30.904 31.823 -0.391 0.000 0.642 1362 V HN 0.306 nan 8.190 nan 0.000 0.446 1363 V N -0.106 119.727 119.914 -0.135 0.000 2.407 1363 V HA -0.253 3.868 4.120 0.001 0.000 0.248 1363 V C 2.545 178.608 176.094 -0.052 0.000 1.055 1363 V CA 2.320 64.573 62.300 -0.079 0.000 1.049 1363 V CB -0.797 30.982 31.823 -0.073 0.000 0.662 1363 V HN 0.490 nan 8.190 nan 0.000 0.455 1364 R N 0.148 120.612 120.500 -0.060 0.000 2.070 1364 R HA -0.149 4.192 4.340 0.001 0.000 0.233 1364 R C 2.567 178.855 176.300 -0.020 0.000 1.137 1364 R CA 1.659 57.735 56.100 -0.040 0.000 0.945 1364 R CB -0.188 30.087 30.300 -0.043 0.000 0.845 1364 R HN 0.405 nan 8.270 nan 0.000 0.430 1365 R N -0.194 120.291 120.500 -0.025 0.000 2.120 1365 R HA -0.123 4.218 4.340 0.001 0.000 0.234 1365 R C 2.505 178.831 176.300 0.044 0.000 1.123 1365 R CA 1.456 57.559 56.100 0.005 0.000 0.975 1365 R CB -0.308 29.985 30.300 -0.012 0.000 0.866 1365 R HN 0.246 nan 8.270 nan 0.000 0.446 1366 R N 0.327 120.839 120.500 0.019 0.000 2.075 1366 R HA -0.093 4.247 4.340 0.001 0.000 0.232 1366 R C 1.644 178.010 176.300 0.109 0.000 1.126 1366 R CA 1.824 57.959 56.100 0.059 0.000 0.963 1366 R CB -0.130 30.180 30.300 0.017 0.000 0.858 1366 R HN 0.122 nan 8.270 nan 0.000 0.435 1367 T N 1.068 115.650 114.554 0.046 0.000 2.746 1367 T HA -0.144 4.206 4.350 0.001 0.000 0.267 1367 T C 1.775 176.481 174.700 0.010 0.000 1.039 1367 T CA 1.432 63.541 62.100 0.015 0.000 1.142 1367 T CB -0.135 68.721 68.868 -0.021 0.000 0.866 1367 T HN 0.413 nan 8.240 nan 0.000 0.444 1368 Q N -0.400 119.417 119.800 0.028 0.000 2.124 1368 Q HA -0.118 4.223 4.340 0.001 0.000 0.202 1368 Q C 2.072 178.103 176.000 0.052 0.000 0.977 1368 Q CA 1.473 57.288 55.803 0.021 0.000 0.850 1368 Q CB -0.322 28.431 28.738 0.025 0.000 0.901 1368 Q HN 0.668 nan 8.270 nan 0.000 0.429 1369 Y N 1.853 122.149 120.300 -0.007 0.000 2.145 1369 Y HA -0.217 4.333 4.550 0.000 0.000 0.286 1369 Y C 1.800 177.711 175.900 0.019 0.000 1.145 1369 Y CA 1.522 59.629 58.100 0.012 0.000 1.148 1369 Y CB -0.138 38.337 38.460 0.026 0.000 0.981 1369 Y HN 0.083 nan 8.280 nan 0.000 0.507 1370 N N 0.530 119.304 118.700 0.122 0.000 2.223 1370 N HA -0.167 4.573 4.740 0.001 0.000 0.185 1370 N C 1.754 177.217 175.510 -0.078 0.000 1.016 1370 N CA 1.354 54.435 53.050 0.051 0.000 0.863 1370 N CB -0.526 38.058 38.487 0.161 0.000 0.983 1370 N HN 0.427 nan 8.380 nan 0.000 0.429 1371 L N 1.487 122.644 121.223 -0.110 0.000 2.044 1371 L HA -0.005 4.336 4.340 0.001 0.000 0.205 1371 L C 2.103 178.903 176.870 -0.117 0.000 1.075 1371 L CA 1.471 56.231 54.840 -0.135 0.000 0.747 1371 L CB -0.358 41.631 42.059 -0.117 0.000 0.903 1371 L HN -0.017 nan 8.230 nan 0.000 0.435 1372 R N -0.345 120.076 120.500 -0.131 0.000 2.081 1372 R HA -0.195 4.145 4.340 0.001 0.000 0.235 1372 R C 2.335 178.542 176.300 -0.155 0.000 1.131 1372 R CA 1.641 57.663 56.100 -0.130 0.000 0.960 1372 R CB -0.436 29.786 30.300 -0.131 0.000 0.856 1372 R HN 0.374 nan 8.270 nan 0.000 0.436 1373 K N 0.837 121.086 120.400 -0.252 0.000 2.026 1373 K HA -0.127 4.193 4.320 0.001 0.000 0.208 1373 K C 2.083 178.639 176.600 -0.073 0.000 1.048 1373 K CA 1.500 57.652 56.287 -0.226 0.000 0.929 1373 K CB -0.100 32.175 32.500 -0.374 0.000 0.713 1373 K HN 0.158 nan 8.250 nan 0.000 0.439 1374 A N 1.359 124.162 122.820 -0.028 0.000 1.930 1374 A HA -0.140 4.180 4.320 0.001 0.000 0.217 1374 A C 1.895 179.490 177.584 0.018 0.000 1.175 1374 A CA 1.522 53.585 52.037 0.044 0.000 0.627 1374 A CB -0.291 18.765 19.000 0.093 0.000 0.815 1374 A HN 0.316 nan 8.150 nan 0.000 0.443 1375 K N -0.384 120.007 120.400 -0.015 0.000 2.097 1375 K HA -0.120 4.201 4.320 0.001 0.000 0.205 1375 K C 1.428 178.052 176.600 0.040 0.000 1.050 1375 K CA 1.328 57.617 56.287 0.003 0.000 0.938 1375 K CB -0.205 32.280 32.500 -0.025 0.000 0.718 1375 K HN 0.361 nan 8.250 nan 0.000 0.442 1376 D N 0.499 120.905 120.400 0.010 0.000 2.117 1376 D HA -0.155 4.485 4.640 0.001 0.000 0.197 1376 D C 1.951 178.310 176.300 0.098 0.000 0.987 1376 D CA 1.117 55.139 54.000 0.037 0.000 0.829 1376 D CB -0.046 40.750 40.800 -0.008 0.000 0.961 1376 D HN -0.008 nan 8.370 nan 0.000 0.460 1377 R N 1.083 121.625 120.500 0.070 0.000 2.092 1377 R HA 0.050 4.391 4.340 0.001 0.000 0.231 1377 R C 1.932 178.309 176.300 0.129 0.000 1.119 1377 R CA 1.556 57.706 56.100 0.083 0.000 0.970 1377 R CB -0.782 29.554 30.300 0.060 0.000 0.864 1377 R HN 0.070 nan 8.270 nan 0.000 0.440 1378 A N -0.572 122.332 122.820 0.140 0.000 1.908 1378 A HA -0.231 4.090 4.320 0.001 0.000 0.218 1378 A C 2.119 179.877 177.584 0.290 0.000 1.181 1378 A CA 1.970 54.142 52.037 0.224 0.000 0.627 1378 A CB -0.948 18.117 19.000 0.108 0.000 0.818 1378 A HN 0.656 nan 8.150 nan 0.000 0.445 1379 H N -0.412 118.729 119.070 0.119 0.000 2.387 1379 H HA -0.061 4.495 4.556 0.001 0.000 0.299 1379 H C 1.751 177.113 175.328 0.058 0.000 1.090 1379 H CA 1.817 57.915 56.048 0.083 0.000 1.332 1379 H CB -0.041 29.750 29.762 0.048 0.000 1.386 1379 H HN 0.340 nan 8.280 nan 0.000 0.516 1380 I N 0.323 120.936 120.570 0.072 0.000 2.252 1380 I HA -0.224 3.947 4.170 0.001 0.000 0.245 1380 I C 2.344 178.436 176.117 -0.043 0.000 1.102 1380 I CA 1.019 62.316 61.300 -0.005 0.000 1.385 1380 I CB -1.041 36.987 38.000 0.046 0.000 1.064 1380 I HN 0.370 nan 8.210 nan 0.000 0.414 1381 L N 0.303 121.537 121.223 0.018 0.000 2.131 1381 L HA -0.195 4.146 4.340 0.001 0.000 0.210 1381 L C 2.426 179.215 176.870 -0.136 0.000 1.092 1381 L CA 1.186 56.022 54.840 -0.007 0.000 0.759 1381 L CB -0.520 41.616 42.059 0.127 0.000 0.903 1381 L HN 0.279 nan 8.230 nan 0.000 0.435 1382 E N -0.031 120.071 120.200 -0.163 0.000 2.110 1382 E HA -0.160 4.190 4.350 0.001 0.000 0.193 1382 E C 2.235 178.717 176.600 -0.196 0.000 0.988 1382 E CA 1.036 57.290 56.400 -0.243 0.000 0.804 1382 E CB -0.248 29.348 29.700 -0.173 0.000 0.745 1382 E HN 0.552 nan 8.360 nan 0.000 0.458 1383 G N 0.887 109.566 108.800 -0.202 0.000 2.403 1383 G HA2 -0.176 3.785 3.960 0.001 0.000 0.216 1383 G HA3 -0.176 3.785 3.960 0.001 0.000 0.216 1383 G C 1.541 176.364 174.900 -0.127 0.000 1.154 1383 G CA 0.211 45.212 45.100 -0.164 0.000 0.784 1383 G HN 0.076 nan 8.290 nan 0.000 0.538 1384 L N -0.260 120.895 121.223 -0.113 0.000 2.156 1384 L HA 0.038 4.378 4.340 0.001 0.000 0.208 1384 L C 3.107 179.916 176.870 -0.101 0.000 1.095 1384 L CA 0.546 55.330 54.840 -0.094 0.000 0.770 1384 L CB -0.302 41.717 42.059 -0.067 0.000 0.914 1384 L HN 0.135 nan 8.230 nan 0.000 0.439 1385 R N 0.383 120.810 120.500 -0.122 0.000 2.070 1385 R HA -0.122 4.219 4.340 0.001 0.000 0.233 1385 R C 2.308 178.559 176.300 -0.081 0.000 1.137 1385 R CA 1.429 57.457 56.100 -0.120 0.000 0.945 1385 R CB -0.438 29.758 30.300 -0.173 0.000 0.845 1385 R HN 0.289 nan 8.270 nan 0.000 0.430 1386 I N 0.788 121.323 120.570 -0.059 0.000 2.208 1386 I HA -0.295 3.876 4.170 0.001 0.000 0.245 1386 I C 2.669 178.782 176.117 -0.008 0.000 1.097 1386 I CA 1.324 62.647 61.300 0.038 0.000 1.363 1386 I CB -0.489 37.520 38.000 0.013 0.000 1.051 1386 I HN 0.225 nan 8.210 nan 0.000 0.413 1387 A N 1.082 123.824 122.820 -0.129 0.000 1.858 1387 A HA -0.165 4.155 4.320 0.001 0.000 0.216 1387 A C 2.295 179.801 177.584 -0.130 0.000 1.190 1387 A CA 1.474 53.393 52.037 -0.197 0.000 0.617 1387 A CB -0.887 18.007 19.000 -0.176 0.000 0.827 1387 A HN 0.388 nan 8.150 nan 0.000 0.443 1388 L N -0.607 120.555 121.223 -0.101 0.000 2.141 1388 L HA -0.155 4.186 4.340 0.001 0.000 0.209 1388 L C 1.745 178.548 176.870 -0.111 0.000 1.094 1388 L CA 1.230 56.015 54.840 -0.091 0.000 0.763 1388 L CB -0.647 41.365 42.059 -0.078 0.000 0.908 1388 L HN 0.288 nan 8.230 nan 0.000 0.437 1389 D N -1.196 119.119 120.400 -0.141 0.000 2.264 1389 D HA -0.095 4.545 4.640 0.001 0.000 0.208 1389 D C 1.077 177.084 176.300 -0.489 0.000 0.966 1389 D CA 1.142 54.969 54.000 -0.288 0.000 0.864 1389 D CB 0.064 40.672 40.800 -0.320 0.000 0.933 1389 D HN 0.407 nan 8.370 nan 0.000 0.499 1390 H N -0.545 118.489 119.070 -0.060 0.000 2.676 1390 H HA 0.141 4.697 4.556 0.001 0.000 0.238 1390 H C 1.268 176.546 175.328 -0.083 0.000 1.276 1390 H CA -0.365 55.671 56.048 -0.020 0.000 0.983 1390 H CB 0.509 30.318 29.762 0.078 0.000 2.000 1390 H HN -0.003 nan 8.280 nan 0.000 0.584 1391 I N 1.320 121.875 120.570 -0.024 0.000 2.208 1391 I HA -0.240 3.930 4.170 0.001 0.000 0.245 1391 I C 1.700 177.811 176.117 -0.011 0.000 1.097 1391 I CA 1.583 62.855 61.300 -0.047 0.000 1.363 1391 I CB 0.072 38.040 38.000 -0.052 0.000 1.051 1391 I HN 0.158 nan 8.210 nan 0.000 0.413 1392 D N 0.049 120.461 120.400 0.020 0.000 2.117 1392 D HA -0.232 4.409 4.640 0.001 0.000 0.197 1392 D C 2.072 178.413 176.300 0.069 0.000 0.987 1392 D CA 1.372 55.394 54.000 0.036 0.000 0.829 1392 D CB -0.133 40.689 40.800 0.038 0.000 0.961 1392 D HN 0.430 nan 8.370 nan 0.000 0.460 1393 E N 0.400 120.678 120.200 0.130 0.000 2.152 1393 E HA -0.072 4.279 4.350 0.001 0.000 0.192 1393 E C 2.068 178.806 176.600 0.229 0.000 0.983 1393 E CA 0.310 56.842 56.400 0.220 0.000 0.818 1393 E CB -0.096 29.823 29.700 0.365 0.000 0.758 1393 E HN 0.122 nan 8.360 nan 0.000 0.467 1394 I N 0.905 121.503 120.570 0.047 0.000 2.202 1394 I HA -0.236 3.935 4.170 0.001 0.000 0.242 1394 I C 2.050 178.162 176.117 -0.009 0.000 1.091 1394 I CA 0.887 62.122 61.300 -0.109 0.000 1.368 1394 I CB -0.875 36.965 38.000 -0.267 0.000 1.058 1394 I HN 0.203 nan 8.210 nan 0.000 0.410 1395 I N 1.212 121.780 120.570 -0.004 0.000 2.179 1395 I HA -0.253 3.918 4.170 0.001 0.000 0.242 1395 I C 2.851 178.984 176.117 0.027 0.000 1.088 1395 I CA 1.809 63.112 61.300 0.005 0.000 1.357 1395 I CB -1.547 36.454 38.000 0.001 0.000 1.051 1395 I HN 0.285 nan 8.210 nan 0.000 0.409 1396 S N 0.013 115.740 115.700 0.045 0.000 2.382 1396 S HA -0.160 4.311 4.470 0.001 0.000 0.228 1396 S C 1.996 176.629 174.600 0.056 0.000 1.027 1396 S CA 1.731 59.960 58.200 0.048 0.000 0.991 1396 S CB -1.076 62.155 63.200 0.053 0.000 0.823 1396 S HN 0.416 nan 8.310 nan 0.000 0.469 1397 T N 2.870 117.476 114.554 0.086 0.000 2.746 1397 T HA 0.090 4.441 4.350 0.001 0.000 0.267 1397 T C 1.734 176.470 174.700 0.061 0.000 1.039 1397 T CA 1.590 63.746 62.100 0.095 0.000 1.142 1397 T CB -0.490 68.488 68.868 0.183 0.000 0.866 1397 T HN 0.432 nan 8.240 nan 0.000 0.444 1398 I N 0.553 121.150 120.570 0.046 0.000 2.252 1398 I HA -0.124 4.047 4.170 0.001 0.000 0.245 1398 I C 2.755 178.885 176.117 0.021 0.000 1.102 1398 I CA 1.208 62.524 61.300 0.027 0.000 1.385 1398 I CB -0.342 37.665 38.000 0.012 0.000 1.064 1398 I HN 0.099 nan 8.210 nan 0.000 0.414 1399 R N 1.102 121.615 120.500 0.020 0.000 2.096 1399 R HA -0.196 4.144 4.340 0.001 0.000 0.235 1399 R C 2.039 178.348 176.300 0.016 0.000 1.127 1399 R CA 1.697 57.807 56.100 0.016 0.000 0.968 1399 R CB -0.365 29.944 30.300 0.015 0.000 0.861 1399 R HN 0.580 nan 8.270 nan 0.000 0.440 1400 E N 0.301 120.513 120.200 0.020 0.000 2.482 1400 E HA 0.024 4.375 4.350 0.001 0.000 0.196 1400 E C -0.272 176.337 176.600 0.016 0.000 1.047 1400 E CA 0.218 56.628 56.400 0.017 0.000 0.869 1400 E CB 0.299 30.011 29.700 0.019 0.000 0.836 1400 E HN -0.048 nan 8.360 nan 0.000 0.520 1401 S N 1.581 117.292 115.700 0.018 0.000 2.499 1401 S HA 0.081 4.552 4.470 0.001 0.000 0.279 1401 S C -0.106 174.501 174.600 0.012 0.000 1.219 1401 S CA -0.743 57.466 58.200 0.016 0.000 1.062 1401 S CB 1.462 64.674 63.200 0.020 0.000 0.978 1401 S HN 0.139 nan 8.310 nan 0.000 0.489 1402 D N 1.826 122.231 120.400 0.010 0.000 2.162 1402 D HA 0.012 4.652 4.640 0.001 0.000 0.203 1402 D C 1.375 177.680 176.300 0.008 0.000 0.967 1402 D CA 1.133 55.137 54.000 0.008 0.000 0.840 1402 D CB 0.020 40.824 40.800 0.006 0.000 0.972 1402 D HN 0.667 nan 8.370 nan 0.000 0.482 1403 T N -2.489 112.070 114.554 0.008 0.000 2.910 1403 T HA 0.342 4.692 4.350 0.001 0.000 0.287 1403 T C 0.470 175.176 174.700 0.010 0.000 1.050 1403 T CA -0.770 61.334 62.100 0.008 0.000 1.011 1403 T CB 1.939 70.812 68.868 0.007 0.000 1.195 1403 T HN -0.378 nan 8.240 nan 0.000 0.540 1404 D N 0.002 120.407 120.400 0.009 0.000 2.117 1404 D HA 0.008 4.648 4.640 0.001 0.000 0.198 1404 D C 1.974 178.281 176.300 0.012 0.000 0.982 1404 D CA 1.221 55.227 54.000 0.010 0.000 0.828 1404 D CB -0.044 40.761 40.800 0.008 0.000 0.967 1404 D HN 0.584 nan 8.370 nan 0.000 0.464 1405 K N 0.063 120.470 120.400 0.011 0.000 2.103 1405 K HA -0.108 4.213 4.320 0.001 0.000 0.207 1405 K C 1.996 178.604 176.600 0.014 0.000 1.048 1405 K CA 0.777 57.071 56.287 0.012 0.000 0.930 1405 K CB -0.116 32.390 32.500 0.010 0.000 0.716 1405 K HN 0.056 nan 8.250 nan 0.000 0.444 1406 V N 1.016 120.938 119.914 0.013 0.000 2.453 1406 V HA -0.204 3.916 4.120 0.001 0.000 0.247 1406 V C 2.289 178.396 176.094 0.021 0.000 1.048 1406 V CA 1.845 64.154 62.300 0.015 0.000 1.049 1406 V CB -0.526 31.304 31.823 0.012 0.000 0.672 1406 V HN 0.345 nan 8.190 nan 0.000 0.457 1407 A N -0.137 122.696 122.820 0.022 0.000 1.845 1407 A HA -0.211 4.109 4.320 0.001 0.000 0.215 1407 A C 2.270 179.875 177.584 0.035 0.000 1.195 1407 A CA 2.039 54.093 52.037 0.029 0.000 0.616 1407 A CB -0.527 18.487 19.000 0.022 0.000 0.832 1407 A HN 0.367 nan 8.150 nan 0.000 0.443 1408 M N -0.349 119.268 119.600 0.027 0.000 2.110 1408 M HA -0.231 4.249 4.480 0.001 0.000 0.257 1408 M C 2.032 178.354 176.300 0.037 0.000 1.071 1408 M CA 2.098 57.416 55.300 0.030 0.000 1.096 1408 M CB -1.588 31.025 32.600 0.023 0.000 1.300 1408 M HN 0.551 nan 8.290 nan 0.000 0.411 1409 E N -0.359 119.858 120.200 0.029 0.000 2.118 1409 E HA -0.146 4.204 4.350 0.001 0.000 0.195 1409 E C 2.075 178.694 176.600 0.031 0.000 0.992 1409 E CA 1.564 57.980 56.400 0.026 0.000 0.804 1409 E CB -0.122 29.588 29.700 0.017 0.000 0.741 1409 E HN 0.440 nan 8.360 nan 0.000 0.458 1410 S N 0.764 116.486 115.700 0.037 0.000 2.387 1410 S HA -0.028 4.442 4.470 0.001 0.000 0.226 1410 S C 2.007 176.659 174.600 0.086 0.000 1.026 1410 S CA 0.527 58.752 58.200 0.042 0.000 0.972 1410 S CB -0.035 63.190 63.200 0.042 0.000 0.814 1410 S HN 0.170 nan 8.310 nan 0.000 0.477 1411 L N 1.314 122.610 121.223 0.122 0.000 2.056 1411 L HA -0.146 4.194 4.340 0.001 0.000 0.207 1411 L C 2.701 179.689 176.870 0.195 0.000 1.078 1411 L CA 1.151 56.122 54.840 0.218 0.000 0.749 1411 L CB -0.564 41.566 42.059 0.117 0.000 0.901 1411 L HN 0.345 nan 8.230 nan 0.000 0.433 1412 Q N -0.627 119.233 119.800 0.100 0.000 2.020 1412 Q HA -0.227 4.113 4.340 0.001 0.000 0.202 1412 Q C 2.356 178.386 176.000 0.051 0.000 0.982 1412 Q CA 1.326 57.173 55.803 0.073 0.000 0.838 1412 Q CB -0.091 28.677 28.738 0.049 0.000 0.899 1412 Q HN 0.471 nan 8.270 nan 0.000 0.423 1413 Q N 0.397 120.210 119.800 0.021 0.000 2.016 1413 Q HA -0.132 4.208 4.340 0.001 0.000 0.200 1413 Q C 2.088 178.040 176.000 -0.080 0.000 0.978 1413 Q CA 1.232 57.022 55.803 -0.022 0.000 0.833 1413 Q CB -0.375 28.345 28.738 -0.030 0.000 0.895 1413 Q HN 0.283 nan 8.270 nan 0.000 0.427 1414 R N -0.335 120.086 120.500 -0.131 0.000 2.091 1414 R HA -0.117 4.224 4.340 0.001 0.000 0.238 1414 R C 1.242 177.198 176.300 -0.572 0.000 1.136 1414 R CA 1.384 57.252 56.100 -0.387 0.000 0.959 1414 R CB -0.025 29.967 30.300 -0.514 0.000 0.856 1414 R HN 0.156 nan 8.270 nan 0.000 0.437 1415 F N 0.223 120.127 119.950 -0.077 0.000 2.653 1415 F HA 0.332 4.860 4.527 0.001 0.000 0.304 1415 F C -0.052 175.702 175.800 -0.077 0.000 1.092 1415 F CA -0.411 57.526 58.000 -0.105 0.000 1.279 1415 F CB 0.584 39.519 39.000 -0.107 0.000 1.044 1415 F HN -0.153 nan 8.300 nan 0.000 0.564 1416 K N 1.393 121.827 120.400 0.056 0.000 3.244 1416 K HA -0.178 4.142 4.320 0.001 0.000 0.270 1416 K C -0.876 175.757 176.600 0.054 0.000 1.016 1416 K CA 0.227 56.536 56.287 0.037 0.000 0.754 1416 K CB -1.929 30.581 32.500 0.017 0.000 1.326 1416 K HN 0.325 nan 8.250 nan 0.000 0.465 1417 L N 0.248 121.511 121.223 0.067 0.000 2.333 1417 L HA 0.418 4.758 4.340 0.001 0.000 0.269 1417 L C 1.098 178.006 176.870 0.063 0.000 1.010 1417 L CA -0.902 53.967 54.840 0.048 0.000 0.818 1417 L CB 1.860 43.946 42.059 0.045 0.000 1.306 1417 L HN 0.303 nan 8.230 nan 0.000 0.430 1418 S N -0.606 115.147 115.700 0.089 0.000 2.655 1418 S HA 0.114 4.585 4.470 0.001 0.000 0.265 1418 S C 0.830 175.487 174.600 0.095 0.000 1.240 1418 S CA -0.318 57.962 58.200 0.132 0.000 0.986 1418 S CB 1.195 64.568 63.200 0.288 0.000 0.985 1418 S HN 0.792 nan 8.310 nan 0.000 0.562 1419 E N 0.664 120.913 120.200 0.082 0.000 2.077 1419 E HA -0.161 4.190 4.350 0.001 0.000 0.193 1419 E C 1.779 178.416 176.600 0.062 0.000 0.989 1419 E CA 1.087 57.521 56.400 0.057 0.000 0.800 1419 E CB -0.167 29.558 29.700 0.042 0.000 0.746 1419 E HN 0.685 nan 8.360 nan 0.000 0.452 1420 K N 0.028 120.484 120.400 0.093 0.000 2.097 1420 K HA -0.154 4.166 4.320 0.001 0.000 0.205 1420 K C 2.349 178.994 176.600 0.075 0.000 1.050 1420 K CA 1.386 57.729 56.287 0.095 0.000 0.938 1420 K CB -0.028 32.554 32.500 0.136 0.000 0.718 1420 K HN 0.197 nan 8.250 nan 0.000 0.442 1421 Q N 0.136 119.976 119.800 0.066 0.000 2.046 1421 Q HA -0.085 4.256 4.340 0.001 0.000 0.200 1421 Q C 2.205 178.194 176.000 -0.018 0.000 0.975 1421 Q CA 1.374 57.163 55.803 -0.024 0.000 0.836 1421 Q CB -0.128 28.543 28.738 -0.111 0.000 0.896 1421 Q HN 0.321 nan 8.270 nan 0.000 0.428 1422 A N 0.699 123.522 122.820 0.005 0.000 1.933 1422 A HA -0.263 4.058 4.320 0.001 0.000 0.218 1422 A C 2.039 179.623 177.584 0.001 0.000 1.175 1422 A CA 1.680 53.719 52.037 0.003 0.000 0.628 1422 A CB -0.480 18.535 19.000 0.025 0.000 0.814 1422 A HN 0.246 nan 8.150 nan 0.000 0.444 1423 Q N -0.113 119.694 119.800 0.011 0.000 2.079 1423 Q HA 0.006 4.347 4.340 0.001 0.000 0.200 1423 Q C 2.023 178.024 176.000 0.002 0.000 0.974 1423 Q CA 2.040 57.849 55.803 0.010 0.000 0.840 1423 Q CB -0.616 28.133 28.738 0.018 0.000 0.898 1423 Q HN 0.549 nan 8.270 nan 0.000 0.430 1424 A N 0.002 122.822 122.820 0.001 0.000 1.972 1424 A HA -0.111 4.209 4.320 0.001 0.000 0.219 1424 A C 2.089 179.660 177.584 -0.021 0.000 1.169 1424 A CA 1.323 53.356 52.037 -0.006 0.000 0.635 1424 A CB -0.651 18.345 19.000 -0.005 0.000 0.810 1424 A HN 0.473 nan 8.150 nan 0.000 0.446 1425 I N -0.491 120.059 120.570 -0.033 0.000 2.202 1425 I HA -0.236 3.934 4.170 0.001 0.000 0.242 1425 I C 2.262 178.356 176.117 -0.037 0.000 1.091 1425 I CA 1.087 62.357 61.300 -0.050 0.000 1.368 1425 I CB -0.314 37.639 38.000 -0.077 0.000 1.058 1425 I HN 0.270 nan 8.210 nan 0.000 0.410 1426 L N 0.279 121.488 121.223 -0.024 0.000 2.201 1426 L HA -0.200 4.140 4.340 0.001 0.000 0.212 1426 L C 1.569 178.432 176.870 -0.012 0.000 1.105 1426 L CA 1.004 55.835 54.840 -0.015 0.000 0.775 1426 L CB -0.517 41.539 42.059 -0.006 0.000 0.913 1426 L HN 0.268 nan 8.230 nan 0.000 0.440 1427 D N -0.665 119.729 120.400 -0.010 0.000 2.355 1427 D HA 0.007 4.647 4.640 0.001 0.000 0.218 1427 D C 0.984 177.278 176.300 -0.010 0.000 1.004 1427 D CA 0.366 54.361 54.000 -0.007 0.000 0.880 1427 D CB 0.143 40.942 40.800 -0.002 0.000 0.911 1427 D HN 0.213 nan 8.370 nan 0.000 0.528 1428 M N 1.217 120.807 119.600 -0.017 0.000 2.238 1428 M HA 0.048 4.528 4.480 0.001 0.000 0.350 1428 M C 0.209 176.499 176.300 -0.017 0.000 1.321 1428 M CA 0.195 55.483 55.300 -0.019 0.000 1.097 1428 M CB 0.685 33.267 32.600 -0.030 0.000 1.713 1428 M HN -0.282 nan 8.290 nan 0.000 0.455 1429 R N 3.533 124.024 120.500 -0.014 0.000 2.531 1429 R HA 0.236 4.577 4.340 0.001 0.000 0.273 1429 R C 1.054 177.345 176.300 -0.014 0.000 1.070 1429 R CA -0.580 55.513 56.100 -0.012 0.000 1.112 1429 R CB 0.687 30.982 30.300 -0.008 0.000 1.049 1429 R HN 0.820 nan 8.270 nan 0.000 0.508 1430 L N 2.148 123.363 121.223 -0.013 0.000 2.129 1430 L HA -0.252 4.088 4.340 0.001 0.000 0.212 1430 L C 2.535 179.397 176.870 -0.014 0.000 1.087 1430 L CA 1.650 56.482 54.840 -0.014 0.000 0.757 1430 L CB -0.499 41.553 42.059 -0.011 0.000 0.896 1430 L HN 0.653 nan 8.230 nan 0.000 0.434 1431 R N -0.227 120.266 120.500 -0.011 0.000 2.241 1431 R HA -0.123 4.217 4.340 0.001 0.000 0.224 1431 R C 1.844 178.136 176.300 -0.013 0.000 1.101 1431 R CA 0.685 56.779 56.100 -0.011 0.000 0.995 1431 R CB -0.381 29.914 30.300 -0.008 0.000 0.870 1431 R HN 0.203 nan 8.270 nan 0.000 0.463 1432 R N 0.625 121.116 120.500 -0.016 0.000 2.316 1432 R HA 0.026 4.366 4.340 0.001 0.000 0.202 1432 R C 1.022 177.308 176.300 -0.023 0.000 1.029 1432 R CA 0.507 56.596 56.100 -0.019 0.000 1.018 1432 R CB -0.220 30.067 30.300 -0.021 0.000 0.888 1432 R HN 0.263 nan 8.270 nan 0.000 0.471 1433 L N 0.672 121.882 121.223 -0.022 0.000 2.592 1433 L HA 0.042 4.382 4.340 0.001 0.000 0.227 1433 L C 0.909 177.766 176.870 -0.022 0.000 1.127 1433 L CA 0.350 55.174 54.840 -0.025 0.000 0.884 1433 L CB -0.712 41.332 42.059 -0.025 0.000 1.065 1433 L HN 0.025 nan 8.230 nan 0.000 0.457 1434 T N -3.473 111.070 114.554 -0.018 0.000 2.855 1434 T HA 0.175 4.525 4.350 0.001 0.000 0.322 1434 T C 1.714 176.404 174.700 -0.018 0.000 1.088 1434 T CA 0.027 62.117 62.100 -0.016 0.000 1.104 1434 T CB 0.877 69.737 68.868 -0.013 0.000 0.996 1434 T HN 0.263 nan 8.240 nan 0.000 0.549 1435 G N 0.662 109.452 108.800 -0.016 0.000 2.507 1435 G HA2 -0.146 3.815 3.960 0.001 0.000 0.221 1435 G HA3 -0.146 3.815 3.960 0.001 0.000 0.221 1435 G C 1.225 176.114 174.900 -0.018 0.000 1.119 1435 G CA 0.825 45.914 45.100 -0.017 0.000 0.751 1435 G HN 0.760 nan 8.290 nan 0.000 0.574 1436 L N -0.104 121.110 121.223 -0.015 0.000 2.567 1436 L HA 0.180 4.521 4.340 0.001 0.000 0.225 1436 L C 2.377 179.238 176.870 -0.015 0.000 1.119 1436 L CA -0.050 54.782 54.840 -0.014 0.000 0.871 1436 L CB -0.111 41.942 42.059 -0.010 0.000 1.036 1436 L HN 0.053 nan 8.230 nan 0.000 0.459 1437 E N 0.997 121.186 120.200 -0.017 0.000 2.097 1437 E HA -0.268 4.082 4.350 0.001 0.000 0.196 1437 E C 2.104 178.692 176.600 -0.022 0.000 1.000 1437 E CA 1.218 57.607 56.400 -0.018 0.000 0.804 1437 E CB -0.111 29.576 29.700 -0.022 0.000 0.740 1437 E HN 0.256 nan 8.360 nan 0.000 0.454 1438 R N 1.456 121.939 120.500 -0.028 0.000 2.105 1438 R HA -0.137 4.203 4.340 0.001 0.000 0.239 1438 R C 1.509 177.794 176.300 -0.025 0.000 1.135 1438 R CA 1.701 57.780 56.100 -0.035 0.000 0.967 1438 R CB -0.336 29.937 30.300 -0.044 0.000 0.861 1438 R HN 0.084 nan 8.270 nan 0.000 0.442 1439 D N -0.302 120.088 120.400 -0.017 0.000 2.149 1439 D HA -0.109 4.531 4.640 0.001 0.000 0.201 1439 D C 1.528 177.829 176.300 0.002 0.000 0.972 1439 D CA 0.967 54.963 54.000 -0.007 0.000 0.835 1439 D CB -0.137 40.659 40.800 -0.006 0.000 0.966 1439 D HN 0.294 nan 8.370 nan 0.000 0.476 1440 K N 0.629 121.028 120.400 -0.001 0.000 2.097 1440 K HA -0.047 4.273 4.320 0.001 0.000 0.205 1440 K C 2.163 178.772 176.600 0.014 0.000 1.050 1440 K CA 0.607 56.897 56.287 0.005 0.000 0.938 1440 K CB -0.015 32.485 32.500 -0.001 0.000 0.718 1440 K HN 0.057 nan 8.250 nan 0.000 0.442 1441 I N 1.013 121.587 120.570 0.007 0.000 2.179 1441 I HA -0.238 3.932 4.170 0.001 0.000 0.242 1441 I C 2.134 178.281 176.117 0.049 0.000 1.088 1441 I CA 1.341 62.651 61.300 0.016 0.000 1.357 1441 I CB -0.193 37.797 38.000 -0.017 0.000 1.051 1441 I HN 0.269 nan 8.210 nan 0.000 0.409 1442 E N 0.689 120.909 120.200 0.034 0.000 2.274 1442 E HA -0.141 4.210 4.350 0.001 0.000 0.194 1442 E C 2.243 178.908 176.600 0.109 0.000 0.996 1442 E CA 0.942 57.388 56.400 0.076 0.000 0.840 1442 E CB 0.042 29.763 29.700 0.034 0.000 0.772 1442 E HN 0.491 nan 8.360 nan 0.000 0.491 1443 A N 1.346 124.206 122.820 0.066 0.000 1.872 1443 A HA -0.199 4.122 4.320 0.001 0.000 0.214 1443 A C 2.026 179.644 177.584 0.057 0.000 1.187 1443 A CA 1.313 53.380 52.037 0.050 0.000 0.614 1443 A CB -0.307 18.709 19.000 0.027 0.000 0.826 1443 A HN 0.205 nan 8.150 nan 0.000 0.442 1444 E N -1.629 118.609 120.200 0.064 0.000 2.106 1444 E HA -0.222 4.129 4.350 0.001 0.000 0.192 1444 E C 1.802 178.456 176.600 0.090 0.000 0.984 1444 E CA 1.217 57.651 56.400 0.058 0.000 0.806 1444 E CB -0.290 29.442 29.700 0.053 0.000 0.750 1444 E HN 0.716 nan 8.360 nan 0.000 0.458 1445 Y N 1.539 121.843 120.300 0.006 0.000 2.181 1445 Y HA -0.225 4.325 4.550 0.000 0.000 0.288 1445 Y C 2.026 177.938 175.900 0.020 0.000 1.146 1445 Y CA 1.939 60.047 58.100 0.014 0.000 1.164 1445 Y CB -0.038 38.426 38.460 0.007 0.000 0.982 1445 Y HN 0.104 nan 8.280 nan 0.000 0.515 1446 N N 0.472 119.216 118.700 0.073 0.000 2.120 1446 N HA -0.212 4.528 4.740 0.001 0.000 0.188 1446 N C 1.833 177.318 175.510 -0.042 0.000 1.024 1446 N CA 1.637 54.685 53.050 -0.003 0.000 0.852 1446 N CB -0.470 38.048 38.487 0.052 0.000 1.003 1446 N HN 0.596 nan 8.380 nan 0.000 0.424 1447 E N 0.874 121.065 120.200 -0.016 0.000 2.106 1447 E HA -0.078 4.272 4.350 0.001 0.000 0.192 1447 E C 2.092 178.690 176.600 -0.003 0.000 0.984 1447 E CA 0.387 56.781 56.400 -0.011 0.000 0.806 1447 E CB 0.020 29.711 29.700 -0.015 0.000 0.750 1447 E HN 0.241 nan 8.360 nan 0.000 0.458 1448 L N 0.633 121.836 121.223 -0.033 0.000 1.970 1448 L HA -0.246 4.095 4.340 0.001 0.000 0.212 1448 L C 2.665 179.511 176.870 -0.040 0.000 1.071 1448 L CA 1.187 56.023 54.840 -0.006 0.000 0.751 1448 L CB -0.448 41.577 42.059 -0.057 0.000 0.889 1448 L HN 0.284 nan 8.230 nan 0.000 0.432 1449 L N -0.239 120.865 121.223 -0.199 0.000 2.051 1449 L HA -0.316 4.025 4.340 0.001 0.000 0.214 1449 L C 2.419 179.244 176.870 -0.076 0.000 1.076 1449 L CA 1.616 56.343 54.840 -0.188 0.000 0.758 1449 L CB -0.790 41.106 42.059 -0.272 0.000 0.890 1449 L HN 0.433 nan 8.230 nan 0.000 0.433 1450 N N -0.142 118.537 118.700 -0.034 0.000 2.058 1450 N HA -0.291 4.450 4.740 0.001 0.000 0.191 1450 N C 1.911 177.452 175.510 0.053 0.000 1.037 1450 N CA 1.646 54.702 53.050 0.009 0.000 0.848 1450 N CB -0.464 38.038 38.487 0.024 0.000 1.021 1450 N HN 0.311 nan 8.380 nan 0.000 0.422 1451 Y N 1.099 121.366 120.300 -0.055 0.000 2.151 1451 Y HA -0.103 4.448 4.550 0.001 0.000 0.284 1451 Y C 2.166 178.040 175.900 -0.043 0.000 1.166 1451 Y CA 1.469 59.544 58.100 -0.042 0.000 1.163 1451 Y CB -0.506 37.931 38.460 -0.038 0.000 0.974 1451 Y HN 0.166 nan 8.280 nan 0.000 0.511 1452 I N -1.223 119.280 120.570 -0.111 0.000 2.226 1452 I HA -0.347 3.824 4.170 0.001 0.000 0.245 1452 I C 2.785 178.807 176.117 -0.159 0.000 1.100 1452 I CA 1.711 62.900 61.300 -0.184 0.000 1.374 1452 I CB -0.664 37.271 38.000 -0.109 0.000 1.057 1452 I HN 0.207 nan 8.210 nan 0.000 0.413 1453 S N 0.519 116.159 115.700 -0.099 0.000 2.356 1453 S HA -0.232 4.238 4.470 0.001 0.000 0.223 1453 S C 1.891 176.442 174.600 -0.081 0.000 1.032 1453 S CA 1.684 59.840 58.200 -0.073 0.000 1.005 1453 S CB -0.228 62.945 63.200 -0.044 0.000 0.867 1453 S HN 0.435 nan 8.310 nan 0.000 0.449 1454 E N 0.418 120.568 120.200 -0.084 0.000 2.110 1454 E HA -0.100 4.250 4.350 0.001 0.000 0.193 1454 E C 2.096 178.622 176.600 -0.124 0.000 0.988 1454 E CA 1.276 57.632 56.400 -0.073 0.000 0.804 1454 E CB -0.215 29.476 29.700 -0.015 0.000 0.745 1454 E HN 0.505 nan 8.360 nan 0.000 0.458 1455 L N 0.674 121.761 121.223 -0.228 0.000 2.072 1455 L HA -0.139 4.201 4.340 0.001 0.000 0.205 1455 L C 2.242 179.030 176.870 -0.138 0.000 1.079 1455 L CA 1.064 55.767 54.840 -0.229 0.000 0.752 1455 L CB -0.273 41.569 42.059 -0.363 0.000 0.906 1455 L HN 0.078 nan 8.230 nan 0.000 0.436 1456 E N -0.403 119.723 120.200 -0.123 0.000 2.153 1456 E HA -0.167 4.183 4.350 0.001 0.000 0.194 1456 E C 2.053 178.616 176.600 -0.062 0.000 0.988 1456 E CA 1.573 57.923 56.400 -0.083 0.000 0.811 1456 E CB -0.076 29.580 29.700 -0.073 0.000 0.746 1456 E HN 0.432 nan 8.360 nan 0.000 0.466 1457 T N 1.196 115.714 114.554 -0.061 0.000 2.788 1457 T HA -0.106 4.244 4.350 0.001 0.000 0.268 1457 T C 1.926 176.602 174.700 -0.040 0.000 1.044 1457 T CA 0.815 62.889 62.100 -0.044 0.000 1.139 1457 T CB -0.096 68.749 68.868 -0.037 0.000 0.867 1457 T HN 0.127 nan 8.240 nan 0.000 0.454 1458 I N 0.666 121.208 120.570 -0.047 0.000 2.202 1458 I HA -0.074 4.096 4.170 0.001 0.000 0.242 1458 I C 2.092 178.186 176.117 -0.039 0.000 1.091 1458 I CA 1.188 62.464 61.300 -0.040 0.000 1.368 1458 I CB -0.354 37.620 38.000 -0.043 0.000 1.058 1458 I HN 0.174 nan 8.210 nan 0.000 0.410 1459 L N 0.505 121.701 121.223 -0.045 0.000 2.362 1459 L HA -0.081 4.260 4.340 0.001 0.000 0.219 1459 L C 2.467 179.317 176.870 -0.034 0.000 1.134 1459 L CA 0.683 55.500 54.840 -0.039 0.000 0.807 1459 L CB -0.515 41.519 42.059 -0.043 0.000 0.927 1459 L HN 0.229 nan 8.230 nan 0.000 0.447 1460 A N -1.701 121.099 122.820 -0.033 0.000 2.195 1460 A HA -0.015 4.306 4.320 0.001 0.000 0.210 1460 A C 0.424 177.993 177.584 -0.025 0.000 1.165 1460 A CA 0.317 52.337 52.037 -0.028 0.000 0.806 1460 A CB 0.043 19.026 19.000 -0.028 0.000 0.847 1460 A HN 0.242 nan 8.150 nan 0.000 0.482 1461 D N -0.626 119.758 120.400 -0.025 0.000 2.473 1461 D HA 0.311 4.951 4.640 0.001 0.000 0.253 1461 D C 0.424 176.709 176.300 -0.024 0.000 1.233 1461 D CA -0.325 53.661 54.000 -0.023 0.000 0.908 1461 D CB 1.038 41.825 40.800 -0.021 0.000 1.170 1461 D HN 0.240 nan 8.370 nan 0.000 0.558 1462 E N 1.694 121.880 120.200 -0.024 0.000 2.204 1462 E HA -0.207 4.143 4.350 0.001 0.000 0.195 1462 E C 0.989 177.574 176.600 -0.025 0.000 0.990 1462 E CA 0.783 57.168 56.400 -0.026 0.000 0.821 1462 E CB 0.446 30.131 29.700 -0.025 0.000 0.750 1462 E HN 0.406 nan 8.360 nan 0.000 0.477 1463 E N 0.549 120.736 120.200 -0.022 0.000 2.152 1463 E HA -0.107 4.243 4.350 0.001 0.000 0.192 1463 E C 1.863 178.451 176.600 -0.020 0.000 0.983 1463 E CA 0.631 57.018 56.400 -0.021 0.000 0.818 1463 E CB 0.074 29.764 29.700 -0.018 0.000 0.758 1463 E HN 0.031 nan 8.360 nan 0.000 0.467 1464 V N 0.701 120.603 119.914 -0.020 0.000 2.453 1464 V HA -0.169 3.951 4.120 0.001 0.000 0.247 1464 V C 2.332 178.413 176.094 -0.021 0.000 1.048 1464 V CA 1.440 63.729 62.300 -0.019 0.000 1.049 1464 V CB -0.500 31.311 31.823 -0.019 0.000 0.672 1464 V HN 0.299 nan 8.190 nan 0.000 0.457 1465 L N -0.258 120.949 121.223 -0.026 0.000 2.017 1465 L HA -0.121 4.220 4.340 0.001 0.000 0.208 1465 L C 2.185 179.035 176.870 -0.032 0.000 1.073 1465 L CA 1.878 56.700 54.840 -0.030 0.000 0.745 1465 L CB -0.603 41.435 42.059 -0.035 0.000 0.894 1465 L HN 0.272 nan 8.230 nan 0.000 0.432 1466 L N -0.626 120.578 121.223 -0.032 0.000 2.093 1466 L HA -0.194 4.147 4.340 0.001 0.000 0.208 1466 L C 2.513 179.368 176.870 -0.026 0.000 1.085 1466 L CA 1.894 56.715 54.840 -0.033 0.000 0.755 1466 L CB -0.829 41.211 42.059 -0.032 0.000 0.904 1466 L HN 0.475 nan 8.230 nan 0.000 0.435 1467 Q N -0.868 118.920 119.800 -0.020 0.000 2.124 1467 Q HA -0.200 4.140 4.340 0.001 0.000 0.202 1467 Q C 2.068 178.061 176.000 -0.011 0.000 0.977 1467 Q CA 1.871 57.666 55.803 -0.014 0.000 0.850 1467 Q CB -0.559 28.172 28.738 -0.012 0.000 0.901 1467 Q HN 0.483 nan 8.270 nan 0.000 0.429 1468 L N -0.698 120.517 121.223 -0.013 0.000 2.046 1468 L HA -0.102 4.238 4.340 0.001 0.000 0.208 1468 L C 2.056 178.919 176.870 -0.011 0.000 1.077 1468 L CA 1.492 56.327 54.840 -0.009 0.000 0.747 1468 L CB -0.764 41.288 42.059 -0.010 0.000 0.896 1468 L HN 0.149 nan 8.230 nan 0.000 0.432 1469 V N -0.037 119.863 119.914 -0.023 0.000 2.332 1469 V HA -0.315 3.805 4.120 0.001 0.000 0.248 1469 V C 2.720 178.808 176.094 -0.010 0.000 1.055 1469 V CA 2.151 64.433 62.300 -0.029 0.000 1.038 1469 V CB -0.705 31.085 31.823 -0.055 0.000 0.651 1469 V HN 0.463 nan 8.190 nan 0.000 0.450 1470 R N -0.066 120.430 120.500 -0.008 0.000 2.081 1470 R HA -0.162 4.179 4.340 0.001 0.000 0.235 1470 R C 2.098 178.403 176.300 0.009 0.000 1.131 1470 R CA 1.784 57.885 56.100 0.002 0.000 0.960 1470 R CB -0.485 29.813 30.300 -0.003 0.000 0.856 1470 R HN 0.528 nan 8.270 nan 0.000 0.436 1471 D N 0.514 120.918 120.400 0.006 0.000 2.117 1471 D HA -0.140 4.500 4.640 0.001 0.000 0.197 1471 D C 1.735 178.047 176.300 0.019 0.000 0.987 1471 D CA 1.204 55.210 54.000 0.010 0.000 0.829 1471 D CB -0.130 40.675 40.800 0.008 0.000 0.961 1471 D HN 0.350 nan 8.370 nan 0.000 0.460 1472 E N 0.184 120.397 120.200 0.022 0.000 2.106 1472 E HA -0.072 4.279 4.350 0.001 0.000 0.192 1472 E C 2.378 179.010 176.600 0.054 0.000 0.984 1472 E CA 0.306 56.728 56.400 0.035 0.000 0.806 1472 E CB -0.036 29.681 29.700 0.029 0.000 0.750 1472 E HN 0.249 nan 8.360 nan 0.000 0.458 1473 L N 0.690 121.945 121.223 0.053 0.000 2.046 1473 L HA -0.164 4.177 4.340 0.001 0.000 0.208 1473 L C 2.548 179.453 176.870 0.058 0.000 1.077 1473 L CA 1.203 56.087 54.840 0.074 0.000 0.747 1473 L CB -0.458 41.647 42.059 0.077 0.000 0.896 1473 L HN 0.157 nan 8.230 nan 0.000 0.432 1474 T N -1.220 113.356 114.554 0.037 0.000 2.788 1474 T HA -0.206 4.145 4.350 0.001 0.000 0.268 1474 T C 1.833 176.547 174.700 0.023 0.000 1.044 1474 T CA 1.166 63.280 62.100 0.023 0.000 1.139 1474 T CB -0.142 68.733 68.868 0.012 0.000 0.867 1474 T HN 0.280 nan 8.240 nan 0.000 0.454 1475 E N 0.944 121.161 120.200 0.029 0.000 2.072 1475 E HA -0.115 4.236 4.350 0.001 0.000 0.191 1475 E C 2.198 178.825 176.600 0.045 0.000 0.985 1475 E CA 0.815 57.230 56.400 0.025 0.000 0.801 1475 E CB -0.131 29.586 29.700 0.029 0.000 0.750 1475 E HN 0.331 nan 8.360 nan 0.000 0.452 1476 I N 1.067 121.692 120.570 0.091 0.000 2.179 1476 I HA -0.253 3.917 4.170 0.001 0.000 0.242 1476 I C 2.754 178.942 176.117 0.118 0.000 1.088 1476 I CA 1.069 62.469 61.300 0.168 0.000 1.357 1476 I CB -1.303 36.799 38.000 0.170 0.000 1.051 1476 I HN 0.183 nan 8.210 nan 0.000 0.409 1477 R N 0.995 121.529 120.500 0.056 0.000 2.096 1477 R HA -0.230 4.111 4.340 0.001 0.000 0.240 1477 R C 1.863 178.162 176.300 -0.001 0.000 1.139 1477 R CA 2.242 58.353 56.100 0.017 0.000 0.952 1477 R CB -0.167 30.138 30.300 0.008 0.000 0.854 1477 R HN 0.339 nan 8.270 nan 0.000 0.436 1478 D N -0.599 119.793 120.400 -0.013 0.000 2.178 1478 D HA -0.157 4.483 4.640 0.001 0.000 0.201 1478 D C 1.956 178.200 176.300 -0.094 0.000 0.980 1478 D CA 1.065 55.040 54.000 -0.042 0.000 0.842 1478 D CB -0.130 40.648 40.800 -0.036 0.000 0.948 1478 D HN 0.298 nan 8.370 nan 0.000 0.472 1479 R N -0.981 119.432 120.500 -0.145 0.000 2.112 1479 R HA 0.029 4.369 4.340 0.001 0.000 0.216 1479 R C 1.393 177.379 176.300 -0.524 0.000 1.080 1479 R CA 0.692 56.574 56.100 -0.363 0.000 0.996 1479 R CB 0.064 30.074 30.300 -0.483 0.000 0.902 1479 R HN 0.063 nan 8.270 nan 0.000 0.449 1480 F N -0.323 119.570 119.950 -0.094 0.000 2.720 1480 F HA 0.381 4.909 4.527 0.001 0.000 0.301 1480 F C 1.165 176.892 175.800 -0.120 0.000 1.103 1480 F CA -0.075 57.845 58.000 -0.133 0.000 1.291 1480 F CB 0.226 39.073 39.000 -0.256 0.000 1.086 1480 F HN -0.007 nan 8.300 nan 0.000 0.592 1481 G N 1.430 110.251 108.800 0.035 0.000 2.380 1481 G HA2 0.345 4.305 3.960 0.001 0.000 0.242 1481 G HA3 0.345 4.305 3.960 0.001 0.000 0.242 1481 G C -0.642 174.293 174.900 0.058 0.000 1.298 1481 G CA -0.096 45.016 45.100 0.020 0.000 0.878 1481 G HN 0.233 nan 8.290 nan 0.000 0.542 1482 D N 0.475 120.938 120.400 0.105 0.000 2.614 1482 D HA 0.355 4.995 4.640 0.001 0.000 0.264 1482 D C -0.765 175.573 176.300 0.063 0.000 1.092 1482 D CA -0.889 53.166 54.000 0.091 0.000 1.071 1482 D CB 0.642 41.520 40.800 0.129 0.000 1.443 1482 D HN 0.197 nan 8.370 nan 0.000 0.528 1483 D N -0.415 120.007 120.400 0.037 0.000 2.357 1483 D HA 0.178 4.818 4.640 0.001 0.000 0.242 1483 D C 0.326 176.633 176.300 0.011 0.000 1.153 1483 D CA -0.108 53.903 54.000 0.019 0.000 0.918 1483 D CB 0.687 41.493 40.800 0.009 0.000 1.181 1483 D HN 0.330 nan 8.370 nan 0.000 0.435 1484 R N 1.031 121.531 120.500 -0.001 0.000 2.491 1484 R HA 0.138 4.478 4.340 0.001 0.000 0.283 1484 R C 0.703 176.988 176.300 -0.025 0.000 1.072 1484 R CA 0.041 56.129 56.100 -0.020 0.000 1.048 1484 R CB 0.632 30.918 30.300 -0.023 0.000 0.983 1484 R HN 0.390 nan 8.270 nan 0.000 0.450 1485 R N 1.437 121.911 120.500 -0.043 0.000 2.121 1485 R HA 0.093 4.433 4.340 0.001 0.000 0.206 1485 R C 0.114 176.406 176.300 -0.012 0.000 1.094 1485 R CA 0.613 56.698 56.100 -0.025 0.000 1.055 1485 R CB 0.206 30.487 30.300 -0.032 0.000 0.964 1485 R HN 0.539 nan 8.270 nan 0.000 0.473 1486 T N 2.186 116.719 114.554 -0.035 0.000 2.779 1486 T HA 0.042 4.392 4.350 0.001 0.000 0.296 1486 T C -0.287 174.403 174.700 -0.017 0.000 0.938 1486 T CA 0.001 62.099 62.100 -0.003 0.000 1.119 1486 T CB 1.165 70.016 68.868 -0.028 0.000 0.891 1486 T HN 0.117 nan 8.240 nan 0.000 0.526 1487 E N 3.731 123.935 120.200 0.007 0.000 2.229 1487 E HA 0.236 4.586 4.350 0.001 0.000 0.283 1487 E C -0.608 175.989 176.600 -0.005 0.000 1.030 1487 E CA -0.516 55.883 56.400 -0.002 0.000 0.836 1487 E CB 0.488 30.191 29.700 0.006 0.000 1.068 1487 E HN 0.560 nan 8.360 nan 0.000 0.401 1488 I N 5.200 125.761 120.570 -0.016 0.000 2.287 1488 I HA 0.095 4.265 4.170 0.001 0.000 0.290 1488 I C 0.213 176.321 176.117 -0.014 0.000 1.069 1488 I CA -0.225 61.064 61.300 -0.018 0.000 1.237 1488 I CB 0.866 38.849 38.000 -0.028 0.000 1.418 1488 I HN 0.416 nan 8.210 nan 0.000 0.481 1489 Q N 6.141 125.933 119.800 -0.014 0.000 2.241 1489 Q HA 0.518 4.858 4.340 0.001 0.000 0.254 1489 Q C -0.918 175.072 176.000 -0.016 0.000 0.917 1489 Q CA -0.989 54.806 55.803 -0.014 0.000 0.919 1489 Q CB 2.321 31.050 28.738 -0.015 0.000 1.237 1489 Q HN 0.469 nan 8.270 nan 0.000 0.434 1490 L N -0.705 120.511 121.223 -0.012 0.000 2.334 1490 L HA 0.996 5.336 4.340 0.001 0.000 0.272 1490 L C 0.256 177.120 176.870 -0.010 0.000 1.020 1490 L CA -0.288 54.545 54.840 -0.011 0.000 0.812 1490 L CB 1.462 43.516 42.059 -0.008 0.000 1.264 1490 L HN 0.703 nan 8.230 nan 0.000 0.439 1491 G N 0.000 108.794 108.800 -0.010 0.000 5.446 1491 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 1491 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 1491 G CA 0.000 45.096 45.100 -0.008 0.000 0.502 1491 G HN 0.000 nan 8.290 nan 0.000 0.925