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 2xcr_1_S DATA FIRST_RESID 416 DATA SEQUENCE GKLADCSSKS PEECEIFLVE GDSAGGSTKS GRDSRTQAIL PLRGKILNVE DATA SEQUENCE KARLDRILNN NEIRQMITAF GTGIGGDFDL AKARYHKIVI MTDADVDGAH DATA SEQUENCE IRTLLLTFFY RFMRPLIEAG YVYIAQPPLY KLTQGKQKYY VYNDRELDKL DATA SEQUENCE KSELNPTPKW SIARYKGLGE MNADQLWETT MNPEHRALLQ VKLEDAIEAD DATA SEQUENCE QTFEMLMGDV VENRRQFIED NAVYANLDFX 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 XXXXXXAELP QSRINERNIT DATA SEQUENCE SEMRESFLDY AMSVIVARAL PDVRDGLKPV HRRILYGLNE QGMTPDKSYK DATA SEQUENCE KSARIVGDVM GKYHPHGDSS IYEAMVRMAQ DFSYRYPLVD GQGNFGSMDG DATA SEQUENCE DGAAAMRFTE ARMTKITLEL LRDINKDTID FIDNYDGNER EPSVLPARFP DATA SEQUENCE NLLANGASGI AVGMATNIPP HNLTELINGV LSLSKNPDIS IAELMEDIEG DATA SEQUENCE PDFPTAGLIL GKSGIRRAYE TGRGSIQMRS RAVIEERGGG RQRIVVTEIP DATA SEQUENCE FQVNKARMIE KIAELVRDKK IDGITDLRDE TSLRTGVRVV IDVRKDANAS DATA SEQUENCE VILNNLYKQT PLQTSFGVNM IALVNGRPKL INLKEALVHY LEHQKTVVRR DATA SEQUENCE RTQYNLRKAK DRAHILEGLR IALDHIDEII STIRESDTDK VAMESLQQRF DATA SEQUENCE KLSEKQAQAI LDMRLRRLTG LERDKIEAEY NELLNYISEL ETILADEEVL DATA SEQUENCE LQLVRDELTE IRDRFGDDRR TEIQL 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 416 G HA2 0.000 nan 3.960 nan 0.000 0.244 416 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 416 G C 0.000 174.911 174.900 0.018 0.000 0.946 416 G CA 0.000 45.110 45.100 0.017 0.000 0.502 417 K N 0.545 120.954 120.400 0.015 0.000 10.904 417 K HA -0.252 4.068 4.320 0.000 0.000 0.518 417 K C 0.341 176.955 176.600 0.023 0.000 0.456 417 K CA 1.880 58.175 56.287 0.014 0.000 1.904 417 K CB -1.678 30.827 32.500 0.007 0.000 0.768 417 K HN 1.758 nan 8.250 nan 0.000 1.213 418 L N 1.704 122.946 121.223 0.033 0.000 2.367 418 L HA 0.632 4.972 4.340 0.000 0.000 0.275 418 L C -0.118 176.787 176.870 0.059 0.000 1.129 418 L CA 0.635 55.504 54.840 0.049 0.000 0.839 418 L CB 1.206 43.304 42.059 0.065 0.000 1.133 418 L HN 0.483 nan 8.230 nan 0.000 0.453 419 A N 4.033 126.889 122.820 0.059 0.000 2.880 419 A HA 0.271 4.591 4.320 0.000 0.000 0.328 419 A C -0.080 177.553 177.584 0.082 0.000 1.440 419 A CA -0.641 51.432 52.037 0.060 0.000 1.068 419 A CB -0.686 18.339 19.000 0.042 0.000 1.163 419 A HN 0.837 nan 8.150 nan 0.000 0.510 420 D N 1.173 121.641 120.400 0.112 0.000 2.429 420 D HA 0.086 4.726 4.640 0.000 0.000 0.233 420 D C 0.942 177.324 176.300 0.137 0.000 1.202 420 D CA 0.164 54.263 54.000 0.165 0.000 0.879 420 D CB 0.448 41.369 40.800 0.202 0.000 1.212 420 D HN 0.677 nan 8.370 nan 0.000 0.465 421 C N 0.907 120.309 119.300 0.170 0.000 2.563 421 C HA 0.395 4.855 4.460 0.000 0.000 0.358 421 C C 2.145 177.198 174.990 0.105 0.000 1.336 421 C CA 0.019 59.116 59.018 0.131 0.000 2.454 421 C CB 0.040 27.874 27.740 0.156 0.000 2.448 421 C HN 0.595 nan 8.230 nan 0.000 0.670 422 S N 0.168 115.913 115.700 0.075 0.000 2.453 422 S HA -0.039 4.431 4.470 0.000 0.000 0.231 422 S C 0.850 175.484 174.600 0.055 0.000 1.005 422 S CA 0.958 59.191 58.200 0.055 0.000 0.949 422 S CB -0.493 62.729 63.200 0.036 0.000 0.774 422 S HN 1.020 nan 8.310 nan 0.000 0.510 423 S N 0.601 116.342 115.700 0.069 0.000 2.672 423 S HA 0.593 5.063 4.470 0.000 0.000 0.276 423 S C -0.416 174.224 174.600 0.066 0.000 1.207 423 S CA -0.647 57.589 58.200 0.060 0.000 1.002 423 S CB 1.060 64.296 63.200 0.060 0.000 0.998 423 S HN 0.264 nan 8.310 nan 0.000 0.542 424 K N 1.627 122.052 120.400 0.042 0.000 3.309 424 K HA 0.332 4.653 4.320 0.000 0.000 0.187 424 K C -1.441 175.168 176.600 0.015 0.000 1.085 424 K CA -0.091 56.211 56.287 0.025 0.000 0.867 424 K CB 0.861 33.368 32.500 0.012 0.000 0.846 424 K HN 0.426 nan 8.250 nan 0.000 0.522 425 S N 0.831 116.547 115.700 0.027 0.000 2.622 425 S HA 0.240 4.710 4.470 0.000 0.000 0.283 425 S C -2.153 172.467 174.600 0.033 0.000 1.197 425 S CA -1.306 56.904 58.200 0.018 0.000 1.146 425 S CB 1.334 64.536 63.200 0.004 0.000 1.007 425 S HN 0.082 nan 8.310 nan 0.000 0.478 426 P HA -0.228 nan 4.420 nan 0.000 0.218 426 P C 1.498 178.872 177.300 0.124 0.000 1.146 426 P CA 1.053 64.276 63.100 0.204 0.000 0.820 426 P CB 0.094 31.985 31.700 0.318 0.000 0.778 427 E N 1.001 121.063 120.200 -0.230 0.000 2.516 427 E HA -0.162 4.188 4.350 0.000 0.000 0.199 427 E C 0.491 176.943 176.600 -0.248 0.000 1.069 427 E CA 0.777 56.826 56.400 -0.585 0.000 0.876 427 E CB -0.425 29.019 29.700 -0.427 0.000 0.843 427 E HN 0.486 nan 8.360 nan 0.000 0.530 428 E N -0.539 119.613 120.200 -0.079 0.000 3.191 428 E HA 0.290 4.641 4.350 0.000 0.000 0.192 428 E C -0.655 175.981 176.600 0.060 0.000 0.972 428 E CA -0.550 55.840 56.400 -0.017 0.000 1.266 428 E CB -0.164 29.529 29.700 -0.012 0.000 1.076 428 E HN -0.004 nan 8.360 nan 0.000 0.462 429 C N 1.097 120.472 119.300 0.125 0.000 2.454 429 C HA 0.541 5.001 4.460 0.000 0.000 0.336 429 C C -0.592 174.510 174.990 0.185 0.000 1.189 429 C CA -0.302 58.854 59.018 0.230 0.000 1.877 429 C CB 0.920 28.899 27.740 0.398 0.000 2.348 429 C HN 0.462 nan 8.230 nan 0.000 0.508 430 E N 2.041 122.300 120.200 0.100 0.000 2.281 430 E HA 0.422 4.772 4.350 0.000 0.000 0.266 430 E C -1.255 175.120 176.600 -0.375 0.000 0.893 430 E CA -0.180 56.127 56.400 -0.156 0.000 0.798 430 E CB 2.058 31.636 29.700 -0.204 0.000 1.245 430 E HN 0.612 nan 8.360 nan 0.000 0.410 431 I N 3.380 123.631 120.570 -0.532 0.000 2.362 431 I HA 0.404 4.575 4.170 0.000 0.000 0.289 431 I C -1.460 174.422 176.117 -0.391 0.000 0.994 431 I CA -0.893 60.073 61.300 -0.556 0.000 1.158 431 I CB 0.490 38.015 38.000 -0.792 0.000 1.315 431 I HN 0.459 nan 8.210 nan 0.000 0.451 432 F N 7.500 127.434 119.950 -0.028 0.000 2.385 432 F HA 0.378 4.905 4.527 0.000 0.000 0.360 432 F C -0.051 175.789 175.800 0.066 0.000 1.122 432 F CA -0.675 57.349 58.000 0.041 0.000 1.090 432 F CB 1.231 40.251 39.000 0.033 0.000 1.150 432 F HN 0.218 nan 8.300 nan 0.000 0.472 433 L N 5.817 127.193 121.223 0.254 0.000 2.363 433 L HA 0.381 4.722 4.340 0.000 0.000 0.286 433 L C 0.231 177.216 176.870 0.191 0.000 1.106 433 L CA -0.693 54.275 54.840 0.214 0.000 0.859 433 L CB -0.195 42.013 42.059 0.249 0.000 1.223 433 L HN 0.471 nan 8.230 nan 0.000 0.446 434 V N 0.445 120.445 119.914 0.144 0.000 3.336 434 V HA 0.347 4.467 4.120 0.000 0.000 0.314 434 V C 0.983 177.123 176.094 0.076 0.000 1.088 434 V CA -0.409 61.953 62.300 0.104 0.000 1.033 434 V CB 1.798 33.664 31.823 0.071 0.000 1.181 434 V HN 0.733 nan 8.190 nan 0.000 0.449 435 E N 0.929 121.164 120.200 0.058 0.000 2.076 435 E HA 0.259 4.609 4.350 0.000 0.000 0.190 435 E C 0.862 177.482 176.600 0.033 0.000 0.979 435 E CA 1.180 57.608 56.400 0.046 0.000 0.807 435 E CB 0.223 29.948 29.700 0.042 0.000 0.761 435 E HN 0.979 nan 8.360 nan 0.000 0.454 436 G N -0.465 108.351 108.800 0.028 0.000 2.721 436 G HA2 0.147 4.107 3.960 0.000 0.000 0.296 436 G HA3 0.147 4.107 3.960 0.000 0.000 0.296 436 G C -0.969 173.941 174.900 0.016 0.000 1.383 436 G CA -0.498 44.614 45.100 0.020 0.000 0.788 436 G HN -0.148 nan 8.290 nan 0.000 0.500 437 D N -0.219 120.188 120.400 0.012 0.000 2.323 437 D HA 0.062 4.702 4.640 0.000 0.000 0.209 437 D C 2.410 178.713 176.300 0.005 0.000 0.973 437 D CA 1.191 55.197 54.000 0.009 0.000 0.874 437 D CB 0.395 41.199 40.800 0.007 0.000 0.930 437 D HN 0.202 nan 8.370 nan 0.000 0.521 438 S N 0.247 115.950 115.700 0.005 0.000 2.395 438 S HA 0.015 4.485 4.470 0.000 0.000 0.225 438 S C 2.063 176.661 174.600 -0.003 0.000 1.027 438 S CA 0.748 58.949 58.200 0.001 0.000 0.965 438 S CB -0.025 63.177 63.200 0.003 0.000 0.812 438 S HN 0.346 nan 8.310 nan 0.000 0.482 439 A N 1.784 124.604 122.820 0.000 0.000 1.874 439 A HA 0.271 4.591 4.320 0.000 0.000 0.214 439 A C 2.287 179.866 177.584 -0.008 0.000 1.189 439 A CA 1.241 53.275 52.037 -0.005 0.000 0.615 439 A CB -1.361 17.642 19.000 0.004 0.000 0.830 439 A HN 0.498 nan 8.150 nan 0.000 0.443 440 G N -0.580 108.222 108.800 0.003 0.000 2.535 440 G HA2 0.091 4.051 3.960 0.000 0.000 0.218 440 G HA3 0.091 4.051 3.960 0.000 0.000 0.218 440 G C 1.296 176.192 174.900 -0.007 0.000 1.122 440 G CA 1.158 46.260 45.100 0.004 0.000 0.769 440 G HN 0.655 nan 8.290 nan 0.000 0.549 441 G N 0.729 109.523 108.800 -0.010 0.000 2.404 441 G HA2 -0.129 3.831 3.960 0.000 0.000 0.215 441 G HA3 -0.129 3.831 3.960 0.000 0.000 0.215 441 G C 2.075 176.960 174.900 -0.025 0.000 1.174 441 G CA 1.292 46.383 45.100 -0.014 0.000 0.780 441 G HN 0.413 nan 8.290 nan 0.000 0.537 442 S N 0.439 116.120 115.700 -0.031 0.000 2.357 442 S HA -0.090 4.380 4.470 0.000 0.000 0.221 442 S C 2.553 177.122 174.600 -0.051 0.000 1.031 442 S CA 1.595 59.770 58.200 -0.041 0.000 0.982 442 S CB -0.580 62.590 63.200 -0.049 0.000 0.853 442 S HN 0.431 nan 8.310 nan 0.000 0.458 443 T N 1.930 116.448 114.554 -0.060 0.000 2.649 443 T HA -0.222 4.128 4.350 0.000 0.000 0.268 443 T C 1.727 176.385 174.700 -0.070 0.000 1.036 443 T CA 1.701 63.748 62.100 -0.090 0.000 1.157 443 T CB -0.250 68.573 68.868 -0.075 0.000 0.861 443 T HN 0.365 nan 8.240 nan 0.000 0.445 444 K N 0.023 120.397 120.400 -0.044 0.000 2.365 444 K HA 0.157 4.477 4.320 0.000 0.000 0.197 444 K C 2.333 178.900 176.600 -0.055 0.000 1.042 444 K CA 0.438 56.704 56.287 -0.035 0.000 0.987 444 K CB 0.070 32.561 32.500 -0.016 0.000 0.779 444 K HN 0.114 nan 8.250 nan 0.000 0.484 445 S N -0.997 114.665 115.700 -0.063 0.000 2.470 445 S HA 0.064 4.534 4.470 0.000 0.000 0.222 445 S C 1.322 175.847 174.600 -0.125 0.000 1.024 445 S CA 0.678 58.832 58.200 -0.077 0.000 0.931 445 S CB 0.704 63.870 63.200 -0.057 0.000 0.791 445 S HN 0.515 nan 8.310 nan 0.000 0.513 446 G N 1.663 110.385 108.800 -0.129 0.000 3.192 446 G HA2 0.131 4.091 3.960 0.000 0.000 0.239 446 G HA3 0.131 4.091 3.960 0.000 0.000 0.239 446 G C 0.254 174.930 174.900 -0.375 0.000 1.084 446 G CA -0.592 44.373 45.100 -0.225 0.000 0.784 446 G HN 0.471 nan 8.290 nan 0.000 0.540 447 R N 0.595 120.964 120.500 -0.219 0.000 2.537 447 R HA 0.185 4.525 4.340 0.000 0.000 0.280 447 R C -0.972 175.143 176.300 -0.308 0.000 1.058 447 R CA -0.541 55.465 56.100 -0.155 0.000 1.057 447 R CB 0.641 30.919 30.300 -0.036 0.000 0.973 447 R HN -0.121 nan 8.270 nan 0.000 0.438 448 D N 2.438 122.689 120.400 -0.248 0.000 2.359 448 D HA -0.040 4.600 4.640 0.000 0.000 0.273 448 D C 0.250 176.544 176.300 -0.010 0.000 1.362 448 D CA 0.465 54.390 54.000 -0.125 0.000 1.010 448 D CB 0.659 41.559 40.800 0.167 0.000 1.090 448 D HN 0.634 nan 8.370 nan 0.000 0.521 449 S N 3.044 118.711 115.700 -0.055 0.000 2.489 449 S HA -0.122 4.348 4.470 0.000 0.000 0.228 449 S C 1.788 176.405 174.600 0.028 0.000 0.995 449 S CA 0.449 58.645 58.200 -0.006 0.000 0.934 449 S CB 0.034 63.215 63.200 -0.033 0.000 0.771 449 S HN 0.537 nan 8.310 nan 0.000 0.522 450 R N 1.336 121.849 120.500 0.021 0.000 2.134 450 R HA -0.112 4.228 4.340 0.000 0.000 0.248 450 R C 2.074 178.416 176.300 0.071 0.000 1.143 450 R CA 2.743 58.866 56.100 0.039 0.000 0.957 450 R CB -1.001 29.319 30.300 0.033 0.000 0.867 450 R HN 0.383 nan 8.270 nan 0.000 0.441 451 T N -2.373 112.238 114.554 0.096 0.000 2.969 451 T HA 0.188 4.538 4.350 0.000 0.000 0.258 451 T C -0.372 174.427 174.700 0.164 0.000 0.962 451 T CA -0.498 61.677 62.100 0.126 0.000 0.903 451 T CB 0.163 69.100 68.868 0.114 0.000 1.177 451 T HN 0.364 nan 8.240 nan 0.000 0.511 452 Q N 1.898 121.808 119.800 0.184 0.000 2.340 452 Q HA 0.729 5.069 4.340 0.000 0.000 0.259 452 Q C -0.869 175.254 176.000 0.206 0.000 0.964 452 Q CA -0.683 55.275 55.803 0.257 0.000 0.900 452 Q CB 1.844 30.844 28.738 0.437 0.000 1.228 452 Q HN 0.434 nan 8.270 nan 0.000 0.449 453 A N 4.162 127.051 122.820 0.116 0.000 2.305 453 A HA 0.667 4.987 4.320 0.000 0.000 0.322 453 A C -0.428 177.208 177.584 0.086 0.000 1.187 453 A CA -0.612 51.455 52.037 0.050 0.000 0.825 453 A CB 0.561 19.505 19.000 -0.094 0.000 1.164 453 A HN 0.766 nan 8.150 nan 0.000 0.498 454 I N 1.992 122.625 120.570 0.106 0.000 2.441 454 I HA 0.402 4.573 4.170 0.000 0.000 0.295 454 I C -0.724 175.441 176.117 0.081 0.000 0.994 454 I CA -0.630 60.746 61.300 0.127 0.000 1.144 454 I CB 1.979 40.036 38.000 0.094 0.000 1.314 454 I HN 0.524 nan 8.210 nan 0.000 0.445 455 L N 8.567 129.843 121.223 0.087 0.000 2.475 455 L HA 0.493 4.833 4.340 0.000 0.000 0.253 455 L C -2.534 174.367 176.870 0.052 0.000 1.483 455 L CA -1.641 53.233 54.840 0.057 0.000 0.869 455 L CB 0.593 42.676 42.059 0.040 0.000 1.086 455 L HN 0.218 nan 8.230 nan 0.000 0.514 456 P HA -0.021 nan 4.420 nan 0.000 0.257 456 P C -0.158 177.153 177.300 0.019 0.000 1.162 456 P CA 0.694 63.815 63.100 0.034 0.000 0.762 456 P CB 0.531 32.245 31.700 0.024 0.000 0.753 457 L N 3.888 125.123 121.223 0.021 0.000 2.874 457 L HA 0.498 4.838 4.340 0.000 0.000 0.229 457 L C 1.369 178.240 176.870 0.002 0.000 1.200 457 L CA -0.939 53.902 54.840 0.002 0.000 0.976 457 L CB 0.349 42.410 42.059 0.003 0.000 1.887 457 L HN 0.165 nan 8.230 nan 0.000 0.543 458 R N 0.526 121.022 120.500 -0.007 0.000 2.835 458 R HA 0.333 4.673 4.340 0.000 0.000 0.290 458 R C 0.070 176.373 176.300 0.005 0.000 1.410 458 R CA 0.263 56.361 56.100 -0.002 0.000 1.590 458 R CB 0.501 30.794 30.300 -0.011 0.000 1.288 458 R HN 0.912 nan 8.270 nan 0.000 0.637 459 G N 1.984 110.794 108.800 0.016 0.000 2.564 459 G HA2 -0.363 3.597 3.960 0.000 0.000 0.273 459 G HA3 -0.363 3.597 3.960 0.000 0.000 0.273 459 G C -0.481 174.431 174.900 0.020 0.000 1.242 459 G CA -0.436 44.680 45.100 0.026 0.000 0.951 459 G HN 0.440 nan 8.290 nan 0.000 0.564 460 K N 0.118 120.539 120.400 0.034 0.000 2.405 460 K HA 0.189 4.509 4.320 0.000 0.000 0.276 460 K C 0.727 177.330 176.600 0.005 0.000 1.099 460 K CA -0.051 56.257 56.287 0.035 0.000 1.120 460 K CB 0.292 32.840 32.500 0.080 0.000 0.877 460 K HN 0.379 nan 8.250 nan 0.000 0.472 461 I N 2.741 123.296 120.570 -0.025 0.000 3.432 461 I HA 0.005 4.175 4.170 0.000 0.000 0.291 461 I C 0.083 176.171 176.117 -0.047 0.000 1.127 461 I CA -0.491 60.774 61.300 -0.058 0.000 0.962 461 I CB 0.465 38.410 38.000 -0.091 0.000 1.550 461 I HN 0.364 nan 8.210 nan 0.000 0.736 462 L N 3.300 124.477 121.223 -0.077 0.000 2.367 462 L HA 0.167 4.508 4.340 0.000 0.000 0.275 462 L C -0.227 176.641 176.870 -0.003 0.000 1.129 462 L CA 0.090 54.905 54.840 -0.043 0.000 0.839 462 L CB -0.262 41.752 42.059 -0.075 0.000 1.133 462 L HN 0.552 nan 8.230 nan 0.000 0.453 463 N N 3.592 122.312 118.700 0.033 0.000 2.448 463 N HA 0.035 4.775 4.740 0.000 0.000 0.250 463 N C 0.818 176.381 175.510 0.088 0.000 1.136 463 N CA -0.199 52.889 53.050 0.063 0.000 0.953 463 N CB 0.690 39.224 38.487 0.078 0.000 1.251 463 N HN 0.451 nan 8.380 nan 0.000 0.502 464 V N 1.135 121.127 119.914 0.130 0.000 3.217 464 V HA 0.019 4.139 4.120 0.000 0.000 0.264 464 V C 1.776 177.972 176.094 0.170 0.000 1.135 464 V CA 0.880 63.301 62.300 0.201 0.000 1.142 464 V CB -0.643 31.404 31.823 0.373 0.000 0.754 464 V HN 0.427 nan 8.190 nan 0.000 0.484 465 E N 1.501 121.769 120.200 0.112 0.000 2.060 465 E HA -0.032 4.319 4.350 0.000 0.000 0.189 465 E C 2.098 178.738 176.600 0.067 0.000 0.974 465 E CA 1.064 57.508 56.400 0.073 0.000 0.808 465 E CB -0.200 29.546 29.700 0.077 0.000 0.768 465 E HN 0.558 nan 8.360 nan 0.000 0.453 466 K N 0.001 120.441 120.400 0.067 0.000 2.515 466 K HA 0.105 4.425 4.320 0.000 0.000 0.196 466 K C 0.074 176.707 176.600 0.056 0.000 1.038 466 K CA 0.369 56.690 56.287 0.056 0.000 0.967 466 K CB 0.232 32.766 32.500 0.057 0.000 0.780 466 K HN 0.060 nan 8.250 nan 0.000 0.483 467 A N 1.480 124.343 122.820 0.072 0.000 2.303 467 A HA 0.338 4.658 4.320 0.000 0.000 0.317 467 A C -0.428 177.193 177.584 0.062 0.000 1.149 467 A CA -0.590 51.485 52.037 0.063 0.000 0.822 467 A CB 0.581 19.623 19.000 0.069 0.000 1.131 467 A HN 0.186 nan 8.150 nan 0.000 0.493 468 R N 1.686 122.207 120.500 0.036 0.000 2.438 468 R HA 0.130 4.470 4.340 0.000 0.000 0.287 468 R C 1.238 177.546 176.300 0.013 0.000 1.077 468 R CA -0.552 55.563 56.100 0.025 0.000 1.034 468 R CB 0.455 30.761 30.300 0.010 0.000 0.993 468 R HN 0.809 nan 8.270 nan 0.000 0.459 469 L N 4.664 125.894 121.223 0.012 0.000 2.046 469 L HA -0.188 4.152 4.340 0.000 0.000 0.208 469 L C 1.406 178.236 176.870 -0.066 0.000 1.077 469 L CA 2.335 57.160 54.840 -0.025 0.000 0.747 469 L CB -0.947 41.106 42.059 -0.010 0.000 0.896 469 L HN 0.882 nan 8.230 nan 0.000 0.432 470 D N -0.151 120.222 120.400 -0.044 0.000 2.144 470 D HA -0.317 4.323 4.640 0.000 0.000 0.199 470 D C 2.128 178.394 176.300 -0.057 0.000 0.984 470 D CA 1.311 55.281 54.000 -0.050 0.000 0.834 470 D CB -0.516 40.264 40.800 -0.033 0.000 0.955 470 D HN 0.360 nan 8.370 nan 0.000 0.465 471 R N 0.241 120.714 120.500 -0.046 0.000 2.152 471 R HA 0.003 4.343 4.340 0.000 0.000 0.232 471 R C 2.506 178.764 176.300 -0.069 0.000 1.117 471 R CA 0.755 56.828 56.100 -0.046 0.000 0.981 471 R CB -0.125 30.159 30.300 -0.027 0.000 0.870 471 R HN 0.269 nan 8.270 nan 0.000 0.451 472 I N 0.032 120.548 120.570 -0.090 0.000 2.406 472 I HA -0.206 3.964 4.170 0.000 0.000 0.249 472 I C 1.670 177.680 176.117 -0.177 0.000 1.122 472 I CA 0.865 62.081 61.300 -0.140 0.000 1.431 472 I CB -0.029 37.864 38.000 -0.179 0.000 1.087 472 I HN 0.189 nan 8.210 nan 0.000 0.424 473 L N 0.162 121.290 121.223 -0.158 0.000 2.418 473 L HA -0.031 4.309 4.340 0.000 0.000 0.218 473 L C 1.890 178.698 176.870 -0.104 0.000 1.125 473 L CA 0.862 55.617 54.840 -0.140 0.000 0.835 473 L CB -0.572 41.413 42.059 -0.123 0.000 0.953 473 L HN 0.296 nan 8.230 nan 0.000 0.454 474 N N 0.008 118.653 118.700 -0.091 0.000 2.416 474 N HA -0.082 4.658 4.740 0.000 0.000 0.177 474 N C 0.735 176.199 175.510 -0.077 0.000 1.036 474 N CA -0.079 52.928 53.050 -0.071 0.000 0.901 474 N CB 0.091 38.544 38.487 -0.056 0.000 0.976 474 N HN 0.244 nan 8.380 nan 0.000 0.444 475 N N 2.100 120.742 118.700 -0.098 0.000 2.468 475 N HA -0.021 4.719 4.740 0.000 0.000 0.265 475 N C 0.322 175.765 175.510 -0.112 0.000 1.199 475 N CA 0.224 53.211 53.050 -0.105 0.000 0.928 475 N CB 0.509 38.918 38.487 -0.130 0.000 1.059 475 N HN 0.033 nan 8.380 nan 0.000 0.467 476 N N 2.928 121.575 118.700 -0.089 0.000 2.459 476 N HA -0.097 4.643 4.740 0.000 0.000 0.181 476 N C 0.356 175.811 175.510 -0.092 0.000 1.046 476 N CA 0.878 53.881 53.050 -0.078 0.000 0.904 476 N CB 0.287 38.741 38.487 -0.055 0.000 0.964 476 N HN 0.652 nan 8.380 nan 0.000 0.444 477 E N 0.424 120.552 120.200 -0.119 0.000 2.162 477 E HA 0.178 4.528 4.350 0.000 0.000 0.193 477 E C 1.991 178.470 176.600 -0.202 0.000 0.953 477 E CA -0.147 56.171 56.400 -0.137 0.000 0.849 477 E CB -0.058 29.567 29.700 -0.125 0.000 0.810 477 E HN 0.075 nan 8.360 nan 0.000 0.470 478 I N 1.501 121.901 120.570 -0.284 0.000 2.121 478 I HA -0.402 3.768 4.170 0.000 0.000 0.243 478 I C 2.162 178.159 176.117 -0.199 0.000 1.047 478 I CA 1.784 62.855 61.300 -0.381 0.000 1.308 478 I CB -0.798 36.964 38.000 -0.397 0.000 1.015 478 I HN 0.186 nan 8.210 nan 0.000 0.410 479 R N 0.137 120.550 120.500 -0.145 0.000 2.073 479 R HA -0.201 4.140 4.340 0.000 0.000 0.234 479 R C 2.270 178.518 176.300 -0.087 0.000 1.134 479 R CA 1.408 57.454 56.100 -0.091 0.000 0.952 479 R CB -0.451 29.805 30.300 -0.074 0.000 0.850 479 R HN 0.504 nan 8.270 nan 0.000 0.433 480 Q N 0.067 119.807 119.800 -0.099 0.000 2.135 480 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 480 Q C 2.129 178.044 176.000 -0.143 0.000 0.981 480 Q CA 1.573 57.321 55.803 -0.092 0.000 0.856 480 Q CB 0.072 28.764 28.738 -0.076 0.000 0.902 480 Q HN 0.360 nan 8.270 nan 0.000 0.425 481 M N -0.283 119.190 119.600 -0.213 0.000 2.074 481 M HA -0.158 4.322 4.480 0.000 0.000 0.258 481 M C 2.105 178.090 176.300 -0.525 0.000 1.083 481 M CA 1.189 56.220 55.300 -0.448 0.000 1.128 481 M CB -0.388 31.983 32.600 -0.382 0.000 1.301 481 M HN 0.218 nan 8.290 nan 0.000 0.417 482 I N 0.320 120.776 120.570 -0.189 0.000 2.345 482 I HA -0.483 3.687 4.170 0.000 0.000 0.228 482 I C 2.285 178.420 176.117 0.030 0.000 0.960 482 I CA 2.248 63.578 61.300 0.050 0.000 1.262 482 I CB -1.337 36.724 38.000 0.102 0.000 0.969 482 I HN 0.430 nan 8.210 nan 0.000 0.385 483 T N 0.515 115.064 114.554 -0.008 0.000 2.718 483 T HA -0.260 4.090 4.350 0.000 0.000 0.266 483 T C 1.502 176.229 174.700 0.044 0.000 1.033 483 T CA 1.852 63.961 62.100 0.014 0.000 1.151 483 T CB -0.378 68.487 68.868 -0.005 0.000 0.853 483 T HN 0.625 nan 8.240 nan 0.000 0.466 484 A N -0.756 122.077 122.820 0.021 0.000 2.308 484 A HA 0.419 4.740 4.320 0.000 0.000 0.217 484 A C 1.340 179.149 177.584 0.374 0.000 1.216 484 A CA -0.050 52.074 52.037 0.145 0.000 0.864 484 A CB -0.252 18.825 19.000 0.128 0.000 0.902 484 A HN 0.386 nan 8.150 nan 0.000 0.499 485 F N -1.087 118.971 119.950 0.181 0.000 2.559 485 F HA 0.319 4.846 4.527 0.000 0.000 0.286 485 F C 2.034 177.849 175.800 0.026 0.000 1.108 485 F CA 0.289 58.389 58.000 0.167 0.000 1.436 485 F CB -0.307 38.821 39.000 0.214 0.000 1.130 485 F HN 0.374 nan 8.300 nan 0.000 0.584 486 G N -0.053 108.866 108.800 0.198 0.000 2.175 486 G HA2 -0.333 3.627 3.960 0.000 0.000 0.244 486 G HA3 -0.333 3.627 3.960 0.000 0.000 0.244 486 G C 1.101 175.995 174.900 -0.010 0.000 0.982 486 G CA 1.007 46.134 45.100 0.045 0.000 0.641 486 G HN 0.440 nan 8.290 nan 0.000 0.527 487 T N -2.356 112.222 114.554 0.040 0.000 3.044 487 T HA 0.548 4.898 4.350 0.000 0.000 0.237 487 T C 1.990 176.688 174.700 -0.004 0.000 1.001 487 T CA 1.628 63.662 62.100 -0.110 0.000 1.160 487 T CB 0.634 69.361 68.868 -0.236 0.000 0.889 487 T HN 2.352 nan 8.240 nan 0.000 0.442 488 G N 1.701 110.592 108.800 0.152 0.000 2.710 488 G HA2 0.173 4.134 3.960 0.000 0.000 0.668 488 G HA3 0.173 4.134 3.960 0.000 0.000 0.668 488 G C -0.722 174.353 174.900 0.292 0.000 1.320 488 G CA -0.469 44.728 45.100 0.162 0.000 0.860 488 G HN 1.284 nan 8.290 nan 0.000 0.538 489 I N -1.815 118.884 120.570 0.216 0.000 2.910 489 I HA 0.962 5.132 4.170 0.000 0.000 0.310 489 I C 1.487 177.719 176.117 0.192 0.000 1.043 489 I CA 0.368 61.802 61.300 0.224 0.000 1.053 489 I CB 1.144 39.235 38.000 0.151 0.000 1.242 489 I HN 2.641 nan 8.210 nan 0.000 0.452 490 G N 2.418 111.316 108.800 0.165 0.000 2.646 490 G HA2 -0.268 3.692 3.960 0.000 0.000 0.324 490 G HA3 -0.268 3.692 3.960 0.000 0.000 0.324 490 G C 0.875 175.830 174.900 0.093 0.000 1.195 490 G CA 0.644 45.812 45.100 0.113 0.000 0.976 490 G HN 1.592 nan 8.290 nan 0.000 0.546 491 G N -0.442 108.410 108.800 0.086 0.000 3.088 491 G HA2 0.404 4.364 3.960 0.000 0.000 0.217 491 G HA3 0.404 4.364 3.960 0.000 0.000 0.217 491 G C 0.662 175.612 174.900 0.083 0.000 1.159 491 G CA 1.252 46.395 45.100 0.072 0.000 0.760 491 G HN 0.577 nan 8.290 nan 0.000 0.550 492 D N 0.129 120.591 120.400 0.102 0.000 2.462 492 D HA 0.097 4.737 4.640 0.000 0.000 0.221 492 D C -0.347 176.012 176.300 0.098 0.000 1.173 492 D CA -0.625 53.420 54.000 0.075 0.000 0.831 492 D CB 0.439 41.269 40.800 0.051 0.000 1.001 492 D HN 0.219 nan 8.370 nan 0.000 0.499 493 F N 2.631 122.578 119.950 -0.006 0.000 2.506 493 F HA 0.119 4.647 4.527 0.000 0.000 0.371 493 F C 0.273 176.052 175.800 -0.034 0.000 1.078 493 F CA -0.428 57.562 58.000 -0.016 0.000 1.195 493 F CB 0.631 39.616 39.000 -0.026 0.000 1.099 493 F HN -0.291 nan 8.300 nan 0.000 0.548 494 D N 6.706 126.685 120.400 -0.702 0.000 2.460 494 D HA 0.085 4.725 4.640 0.000 0.000 0.232 494 D C 0.485 176.286 176.300 -0.831 0.000 1.079 494 D CA -0.283 53.385 54.000 -0.554 0.000 0.864 494 D CB 1.069 41.690 40.800 -0.298 0.000 1.048 494 D HN 0.733 nan 8.370 nan 0.000 0.523 495 L N 3.795 124.590 121.223 -0.713 0.000 2.418 495 L HA 0.223 4.564 4.340 0.000 0.000 0.218 495 L C 1.784 178.444 176.870 -0.350 0.000 1.125 495 L CA 1.219 55.703 54.840 -0.594 0.000 0.835 495 L CB 0.105 42.043 42.059 -0.202 0.000 0.953 495 L HN 0.390 nan 8.230 nan 0.000 0.454 496 A N -0.412 122.263 122.820 -0.242 0.000 1.930 496 A HA -0.099 4.221 4.320 0.000 0.000 0.215 496 A C 2.139 179.643 177.584 -0.134 0.000 1.176 496 A CA 1.085 53.041 52.037 -0.135 0.000 0.632 496 A CB -0.333 18.615 19.000 -0.086 0.000 0.819 496 A HN 0.413 nan 8.150 nan 0.000 0.445 497 K N 0.484 120.776 120.400 -0.179 0.000 2.611 497 K HA 0.211 4.531 4.320 0.000 0.000 0.193 497 K C 0.369 176.880 176.600 -0.148 0.000 1.026 497 K CA 0.153 56.355 56.287 -0.141 0.000 1.063 497 K CB -0.299 32.116 32.500 -0.141 0.000 0.839 497 K HN 0.453 nan 8.250 nan 0.000 0.505 498 A N 1.401 124.105 122.820 -0.193 0.000 2.454 498 A HA 0.086 4.406 4.320 0.000 0.000 0.260 498 A C 0.914 178.425 177.584 -0.122 0.000 1.106 498 A CA -0.271 51.653 52.037 -0.190 0.000 0.780 498 A CB 0.397 19.194 19.000 -0.339 0.000 1.044 498 A HN 0.216 nan 8.150 nan 0.000 0.498 499 R N 1.274 121.683 120.500 -0.152 0.000 2.119 499 R HA -0.006 4.334 4.340 0.000 0.000 0.222 499 R C -0.547 175.509 176.300 -0.407 0.000 1.088 499 R CA 1.163 57.053 56.100 -0.349 0.000 0.984 499 R CB -0.189 29.751 30.300 -0.600 0.000 0.884 499 R HN 0.795 nan 8.270 nan 0.000 0.447 500 Y N -1.318 119.072 120.300 0.150 0.000 2.524 500 Y HA 0.354 4.905 4.550 0.000 0.000 0.344 500 Y C 1.285 177.327 175.900 0.237 0.000 1.012 500 Y CA -0.870 57.342 58.100 0.187 0.000 1.068 500 Y CB 1.418 39.965 38.460 0.145 0.000 1.249 500 Y HN -0.070 nan 8.280 nan 0.000 0.468 501 H N 0.548 119.787 119.070 0.282 0.000 2.551 501 H HA 0.221 4.777 4.556 0.000 0.000 0.271 501 H C -0.525 174.855 175.328 0.087 0.000 0.984 501 H CA 0.266 56.422 56.048 0.180 0.000 1.164 501 H CB 0.671 30.394 29.762 -0.065 0.000 1.437 501 H HN 0.477 nan 8.280 nan 0.000 0.550 502 K N 1.518 122.066 120.400 0.248 0.000 2.621 502 K HA 0.257 4.578 4.320 0.000 0.000 0.233 502 K C -1.142 175.493 176.600 0.058 0.000 0.972 502 K CA -0.540 55.869 56.287 0.203 0.000 0.988 502 K CB 1.819 34.361 32.500 0.070 0.000 1.187 502 K HN -0.076 nan 8.250 nan 0.000 0.471 503 I N 3.085 123.673 120.570 0.030 0.000 2.347 503 I HA 0.029 4.200 4.170 0.000 0.000 0.294 503 I C -0.278 175.826 176.117 -0.021 0.000 1.090 503 I CA -0.258 61.012 61.300 -0.050 0.000 1.314 503 I CB 1.058 38.915 38.000 -0.238 0.000 1.423 503 I HN 0.221 nan 8.210 nan 0.000 0.503 504 V N 8.029 127.905 119.914 -0.063 0.000 2.277 504 V HA 0.290 4.410 4.120 0.000 0.000 0.269 504 V C 0.597 176.775 176.094 0.142 0.000 1.036 504 V CA -0.569 61.724 62.300 -0.012 0.000 0.821 504 V CB 0.406 32.021 31.823 -0.347 0.000 1.052 504 V HN 0.461 nan 8.190 nan 0.000 0.462 505 I N 5.021 125.694 120.570 0.171 0.000 2.668 505 I HA 0.076 4.246 4.170 0.000 0.000 0.309 505 I C 0.864 177.106 176.117 0.208 0.000 1.195 505 I CA 0.688 62.118 61.300 0.216 0.000 1.919 505 I CB -0.164 37.965 38.000 0.215 0.000 1.551 505 I HN 0.608 nan 8.210 nan 0.000 0.908 506 M N 6.084 125.829 119.600 0.241 0.000 3.654 506 M HA 0.118 4.598 4.480 0.000 0.000 0.212 506 M C 0.783 177.170 176.300 0.144 0.000 1.354 506 M CA -0.331 55.092 55.300 0.205 0.000 1.564 506 M CB -0.078 32.675 32.600 0.254 0.000 1.056 506 M HN 0.602 nan 8.290 nan 0.000 0.608 507 T N -1.689 112.943 114.554 0.130 0.000 2.701 507 T HA 0.163 4.513 4.350 0.000 0.000 0.303 507 T C 0.280 175.026 174.700 0.076 0.000 1.030 507 T CA -0.722 61.437 62.100 0.098 0.000 1.010 507 T CB 0.600 69.524 68.868 0.093 0.000 1.007 507 T HN 0.365 nan 8.240 nan 0.000 0.532 508 D N 0.003 120.438 120.400 0.057 0.000 2.364 508 D HA 0.329 4.969 4.640 0.000 0.000 0.236 508 D C 1.024 177.354 176.300 0.050 0.000 1.221 508 D CA 0.344 54.367 54.000 0.039 0.000 0.891 508 D CB 0.252 41.068 40.800 0.026 0.000 1.190 508 D HN 0.764 nan 8.370 nan 0.000 0.449 509 A N 0.866 123.705 122.820 0.032 0.000 2.308 509 A HA 0.059 4.379 4.320 0.000 0.000 0.217 509 A C 0.383 177.993 177.584 0.042 0.000 1.216 509 A CA 0.024 52.089 52.037 0.047 0.000 0.864 509 A CB -0.239 18.776 19.000 0.026 0.000 0.902 509 A HN 0.579 nan 8.150 nan 0.000 0.499 510 D N -0.584 119.828 120.400 0.020 0.000 2.447 510 D HA 0.182 4.822 4.640 0.000 0.000 0.265 510 D C 1.338 177.695 176.300 0.095 0.000 1.250 510 D CA 0.281 54.298 54.000 0.028 0.000 1.046 510 D CB -0.132 40.650 40.800 -0.030 0.000 1.095 510 D HN 0.199 nan 8.370 nan 0.000 0.555 511 V N -2.841 117.150 119.914 0.128 0.000 2.913 511 V HA -0.117 4.003 4.120 0.000 0.000 0.260 511 V C 1.093 177.358 176.094 0.286 0.000 1.098 511 V CA 1.485 63.906 62.300 0.202 0.000 1.121 511 V CB -0.692 31.248 31.823 0.196 0.000 0.714 511 V HN 0.380 nan 8.190 nan 0.000 0.487 512 D N 1.643 122.177 120.400 0.223 0.000 2.213 512 D HA 0.027 4.667 4.640 0.000 0.000 0.205 512 D C 2.254 178.620 176.300 0.110 0.000 0.961 512 D CA 1.391 55.504 54.000 0.188 0.000 0.853 512 D CB -0.009 40.899 40.800 0.179 0.000 0.967 512 D HN 0.556 nan 8.370 nan 0.000 0.496 513 G N 1.509 110.368 108.800 0.098 0.000 2.440 513 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 513 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 513 G C 1.731 176.680 174.900 0.081 0.000 1.154 513 G CA 1.278 46.426 45.100 0.080 0.000 0.767 513 G HN 0.352 nan 8.290 nan 0.000 0.552 514 A N 0.088 122.970 122.820 0.102 0.000 1.845 514 A HA -0.142 4.179 4.320 0.000 0.000 0.215 514 A C 2.113 179.729 177.584 0.053 0.000 1.195 514 A CA 1.776 53.874 52.037 0.101 0.000 0.616 514 A CB -1.081 18.003 19.000 0.140 0.000 0.832 514 A HN 0.527 nan 8.150 nan 0.000 0.443 515 H N -0.522 118.472 119.070 -0.126 0.000 2.539 515 H HA -0.049 4.507 4.556 0.000 0.000 0.292 515 H C 1.627 176.843 175.328 -0.186 0.000 1.069 515 H CA 1.375 57.203 56.048 -0.367 0.000 1.244 515 H CB -0.010 29.055 29.762 -1.162 0.000 1.365 515 H HN 0.495 nan 8.280 nan 0.000 0.575 516 I N -0.353 120.138 120.570 -0.131 0.000 2.585 516 I HA -0.136 4.034 4.170 0.000 0.000 0.254 516 I C 2.590 178.687 176.117 -0.033 0.000 1.129 516 I CA 0.251 61.490 61.300 -0.101 0.000 1.455 516 I CB -0.083 37.916 38.000 -0.002 0.000 1.111 516 I HN 0.127 nan 8.210 nan 0.000 0.433 517 R N 0.483 120.998 120.500 0.025 0.000 2.081 517 R HA -0.172 4.169 4.340 0.000 0.000 0.235 517 R C 2.441 178.785 176.300 0.075 0.000 1.131 517 R CA 2.100 58.253 56.100 0.089 0.000 0.960 517 R CB -0.652 29.709 30.300 0.103 0.000 0.856 517 R HN 0.455 nan 8.270 nan 0.000 0.436 518 T N -0.249 114.311 114.554 0.009 0.000 2.759 518 T HA -0.141 4.210 4.350 0.000 0.000 0.269 518 T C 1.835 176.525 174.700 -0.017 0.000 1.042 518 T CA 1.110 63.207 62.100 -0.005 0.000 1.140 518 T CB -0.126 68.772 68.868 0.050 0.000 0.864 518 T HN 0.024 nan 8.240 nan 0.000 0.455 519 L N 0.441 121.616 121.223 -0.079 0.000 2.007 519 L HA 0.222 4.562 4.340 0.000 0.000 0.205 519 L C 2.839 179.775 176.870 0.110 0.000 1.073 519 L CA 1.234 56.060 54.840 -0.024 0.000 0.744 519 L CB -0.688 41.300 42.059 -0.120 0.000 0.898 519 L HN 0.234 nan 8.230 nan 0.000 0.435 520 L N -0.719 120.578 121.223 0.124 0.000 2.064 520 L HA -0.320 4.020 4.340 0.000 0.000 0.216 520 L C 2.516 179.591 176.870 0.341 0.000 1.077 520 L CA 1.590 56.555 54.840 0.208 0.000 0.766 520 L CB -0.739 41.505 42.059 0.308 0.000 0.890 520 L HN 0.333 nan 8.230 nan 0.000 0.435 521 L N -0.868 120.586 121.223 0.385 0.000 2.017 521 L HA -0.204 4.136 4.340 0.000 0.000 0.208 521 L C 2.512 179.674 176.870 0.487 0.000 1.073 521 L CA 1.691 56.808 54.840 0.461 0.000 0.745 521 L CB -1.037 41.232 42.059 0.350 0.000 0.894 521 L HN 0.272 nan 8.230 nan 0.000 0.432 522 T N -0.224 114.625 114.554 0.491 0.000 2.977 522 T HA -0.189 4.162 4.350 0.000 0.000 0.271 522 T C 1.417 176.272 174.700 0.259 0.000 1.105 522 T CA 1.210 63.644 62.100 0.558 0.000 1.116 522 T CB -0.270 68.850 68.868 0.421 0.000 0.878 522 T HN 0.288 nan 8.240 nan 0.000 0.509 523 F N 0.672 120.666 119.950 0.074 0.000 2.220 523 F HA 0.252 4.779 4.527 0.000 0.000 0.290 523 F C 1.576 177.346 175.800 -0.051 0.000 1.080 523 F CA -0.047 57.941 58.000 -0.020 0.000 1.318 523 F CB -0.580 38.351 39.000 -0.116 0.000 1.063 523 F HN 0.104 nan 8.300 nan 0.000 0.498 524 F N -0.740 119.053 119.950 -0.260 0.000 2.102 524 F HA -0.237 4.290 4.527 0.000 0.000 0.298 524 F C 2.182 177.805 175.800 -0.295 0.000 1.105 524 F CA 1.676 59.450 58.000 -0.375 0.000 1.239 524 F CB -1.032 37.891 39.000 -0.128 0.000 0.991 524 F HN 0.061 nan 8.300 nan 0.000 0.474 525 Y N 0.775 120.999 120.300 -0.126 0.000 2.632 525 Y HA 0.017 4.567 4.550 0.000 0.000 0.301 525 Y C 1.776 177.395 175.900 -0.468 0.000 1.172 525 Y CA 0.352 58.257 58.100 -0.324 0.000 1.328 525 Y CB -0.402 37.779 38.460 -0.464 0.000 1.016 525 Y HN -0.146 nan 8.280 nan 0.000 0.529 526 R N -1.578 118.534 120.500 -0.647 0.000 2.167 526 R HA 0.192 4.532 4.340 0.000 0.000 0.195 526 R C 0.777 176.495 176.300 -0.970 0.000 1.027 526 R CA 0.872 56.388 56.100 -0.974 0.000 1.114 526 R CB -0.527 29.097 30.300 -1.127 0.000 1.075 526 R HN 0.373 nan 8.270 nan 0.000 0.538 527 F N -0.876 118.863 119.950 -0.351 0.000 2.706 527 F HA 0.384 4.911 4.527 0.000 0.000 0.313 527 F C 0.950 176.519 175.800 -0.385 0.000 1.096 527 F CA 0.048 57.876 58.000 -0.287 0.000 1.219 527 F CB 0.681 39.626 39.000 -0.092 0.000 1.051 527 F HN -0.260 nan 8.300 nan 0.000 0.568 528 M N -0.316 119.052 119.600 -0.388 0.000 3.262 528 M HA 0.213 4.694 4.480 0.000 0.000 0.450 528 M C 1.395 177.386 176.300 -0.517 0.000 1.524 528 M CA -0.047 54.937 55.300 -0.527 0.000 0.770 528 M CB 0.662 33.113 32.600 -0.248 0.000 1.459 528 M HN -0.075 nan 8.290 nan 0.000 0.517 529 R N 2.795 123.028 120.500 -0.445 0.000 2.140 529 R HA -0.116 4.224 4.340 0.000 0.000 0.250 529 R C -1.023 175.128 176.300 -0.248 0.000 1.150 529 R CA 2.223 58.148 56.100 -0.292 0.000 0.966 529 R CB -0.944 29.159 30.300 -0.328 0.000 0.869 529 R HN 0.217 nan 8.270 nan 0.000 0.445 530 P HA -0.063 nan 4.420 nan 0.000 0.245 530 P C 0.774 177.947 177.300 -0.212 0.000 1.212 530 P CA 0.547 63.501 63.100 -0.244 0.000 0.774 530 P CB 0.139 31.709 31.700 -0.215 0.000 0.999 531 L N -0.846 120.194 121.223 -0.305 0.000 2.446 531 L HA 0.136 4.476 4.340 0.000 0.000 0.219 531 L C 2.091 178.857 176.870 -0.173 0.000 1.116 531 L CA 1.066 55.753 54.840 -0.255 0.000 0.844 531 L CB -0.540 41.350 42.059 -0.282 0.000 0.970 531 L HN -0.189 nan 8.230 nan 0.000 0.457 532 I N -1.138 119.338 120.570 -0.157 0.000 2.556 532 I HA -0.109 4.061 4.170 0.000 0.000 0.251 532 I C 1.968 178.032 176.117 -0.089 0.000 1.105 532 I CA 0.591 61.807 61.300 -0.140 0.000 1.436 532 I CB -0.184 37.743 38.000 -0.122 0.000 1.139 532 I HN 0.167 nan 8.210 nan 0.000 0.438 533 E N 1.705 121.865 120.200 -0.067 0.000 2.265 533 E HA -0.144 4.207 4.350 0.000 0.000 0.196 533 E C 1.987 178.586 176.600 -0.002 0.000 0.996 533 E CA 1.141 57.516 56.400 -0.041 0.000 0.832 533 E CB -0.197 29.482 29.700 -0.035 0.000 0.756 533 E HN 0.486 nan 8.360 nan 0.000 0.491 534 A N 0.683 123.531 122.820 0.048 0.000 2.238 534 A HA 0.294 4.614 4.320 0.000 0.000 0.208 534 A C 1.772 179.475 177.584 0.198 0.000 1.177 534 A CA 0.667 52.809 52.037 0.174 0.000 0.804 534 A CB -0.257 18.890 19.000 0.246 0.000 0.823 534 A HN 0.334 nan 8.150 nan 0.000 0.482 535 G N -2.505 106.328 108.800 0.056 0.000 2.132 535 G HA2 -0.321 3.639 3.960 0.000 0.000 0.234 535 G HA3 -0.321 3.639 3.960 0.000 0.000 0.234 535 G C 0.457 175.195 174.900 -0.271 0.000 0.989 535 G CA 0.524 45.549 45.100 -0.126 0.000 0.676 535 G HN 0.519 nan 8.290 nan 0.000 0.522 536 Y N -0.259 119.856 120.300 -0.309 0.000 2.490 536 Y HA 0.316 4.866 4.550 0.000 0.000 0.285 536 Y C 1.703 177.335 175.900 -0.447 0.000 1.117 536 Y CA 0.668 58.590 58.100 -0.297 0.000 1.262 536 Y CB 0.691 39.004 38.460 -0.245 0.000 1.043 536 Y HN 0.231 nan 8.280 nan 0.000 0.553 537 V N 0.300 119.969 119.914 -0.408 0.000 2.465 537 V HA 0.189 4.309 4.120 0.000 0.000 0.279 537 V C -0.812 174.949 176.094 -0.555 0.000 1.045 537 V CA -1.009 61.017 62.300 -0.456 0.000 0.938 537 V CB 0.262 31.787 31.823 -0.498 0.000 0.986 537 V HN 0.013 nan 8.190 nan 0.000 0.467 538 Y N 3.092 123.312 120.300 -0.133 0.000 2.662 538 Y HA 0.709 5.259 4.550 0.000 0.000 0.335 538 Y C 0.023 175.906 175.900 -0.029 0.000 1.066 538 Y CA -1.077 56.978 58.100 -0.074 0.000 1.116 538 Y CB 2.291 40.708 38.460 -0.072 0.000 1.308 538 Y HN 0.409 nan 8.280 nan 0.000 0.502 539 I N 1.973 122.662 120.570 0.200 0.000 2.521 539 I HA 0.420 4.590 4.170 0.000 0.000 0.277 539 I C -0.387 175.818 176.117 0.147 0.000 1.054 539 I CA -0.714 60.674 61.300 0.147 0.000 1.117 539 I CB 1.023 39.087 38.000 0.107 0.000 1.217 539 I HN 0.667 nan 8.210 nan 0.000 0.469 540 A N 5.691 128.611 122.820 0.165 0.000 2.448 540 A HA 0.299 4.619 4.320 0.000 0.000 0.239 540 A C 0.034 177.696 177.584 0.129 0.000 1.080 540 A CA 0.150 52.275 52.037 0.147 0.000 0.779 540 A CB 0.331 19.450 19.000 0.198 0.000 1.026 540 A HN 0.746 nan 8.150 nan 0.000 0.499 541 Q N 1.028 120.899 119.800 0.118 0.000 2.523 541 Q HA 0.325 4.665 4.340 0.000 0.000 0.251 541 Q C -2.594 173.557 176.000 0.253 0.000 1.033 541 Q CA -1.722 54.186 55.803 0.175 0.000 0.746 541 Q CB 1.701 30.501 28.738 0.103 0.000 1.189 541 Q HN 0.516 nan 8.270 nan 0.000 0.508 542 P HA 0.296 nan 4.420 nan 0.000 0.286 542 P C -2.620 174.700 177.300 0.035 0.000 1.261 542 P CA -2.033 61.125 63.100 0.095 0.000 0.821 542 P CB 0.473 32.200 31.700 0.044 0.000 1.013 543 P HA 0.041 nan 4.420 nan 0.000 0.267 543 P C 0.375 177.624 177.300 -0.085 0.000 1.205 543 P CA -0.068 62.845 63.100 -0.312 0.000 0.765 543 P CB 0.380 32.131 31.700 0.085 0.000 0.828 544 L N 4.085 125.205 121.223 -0.172 0.000 2.253 544 L HA 0.254 4.594 4.340 0.000 0.000 0.205 544 L C -0.167 176.531 176.870 -0.287 0.000 1.078 544 L CA 1.267 56.028 54.840 -0.131 0.000 0.805 544 L CB -0.406 41.598 42.059 -0.092 0.000 0.963 544 L HN 0.252 nan 8.230 nan 0.000 0.459 545 Y N -0.457 119.795 120.300 -0.080 0.000 2.492 545 Y HA 0.461 5.011 4.550 0.000 0.000 0.346 545 Y C -0.371 175.399 175.900 -0.216 0.000 0.997 545 Y CA -1.018 56.970 58.100 -0.186 0.000 1.025 545 Y CB 1.411 39.792 38.460 -0.131 0.000 1.263 545 Y HN -0.173 nan 8.280 nan 0.000 0.454 546 K N 3.816 124.112 120.400 -0.173 0.000 2.394 546 K HA 0.504 4.824 4.320 0.000 0.000 0.260 546 K C -1.970 174.483 176.600 -0.246 0.000 0.967 546 K CA -0.666 55.426 56.287 -0.326 0.000 0.855 546 K CB 1.053 33.308 32.500 -0.407 0.000 1.101 546 K HN 0.574 nan 8.250 nan 0.000 0.433 547 L N 4.080 125.140 121.223 -0.272 0.000 2.307 547 L HA 0.506 4.846 4.340 0.000 0.000 0.284 547 L C -1.105 175.559 176.870 -0.345 0.000 1.023 547 L CA 0.097 54.758 54.840 -0.298 0.000 0.810 547 L CB 1.465 43.287 42.059 -0.396 0.000 1.231 547 L HN 0.742 nan 8.230 nan 0.000 0.423 548 T N 5.018 119.419 114.554 -0.254 0.000 2.809 548 T HA 0.376 4.726 4.350 0.000 0.000 0.284 548 T C -0.193 174.406 174.700 -0.168 0.000 0.992 548 T CA -0.330 61.643 62.100 -0.212 0.000 0.957 548 T CB 1.349 70.156 68.868 -0.101 0.000 0.942 548 T HN 0.497 nan 8.240 nan 0.000 0.439 549 Q N 2.269 121.932 119.800 -0.229 0.000 2.626 549 Q HA 0.446 4.787 4.340 0.000 0.000 0.239 549 Q C 1.215 177.192 176.000 -0.039 0.000 1.101 549 Q CA -0.189 55.554 55.803 -0.099 0.000 0.918 549 Q CB 0.710 29.354 28.738 -0.157 0.000 1.151 549 Q HN 1.100 nan 8.270 nan 0.000 0.531 550 G N 2.568 111.365 108.800 -0.006 0.000 4.230 550 G HA2 -0.481 3.479 3.960 0.000 0.000 0.340 550 G HA3 -0.481 3.479 3.960 0.000 0.000 0.340 550 G C 0.920 175.824 174.900 0.007 0.000 1.315 550 G CA 1.182 46.286 45.100 0.007 0.000 1.033 550 G HN 0.530 nan 8.290 nan 0.000 0.741 551 K N 0.082 120.492 120.400 0.016 0.000 2.202 551 K HA 0.144 4.464 4.320 0.000 0.000 0.201 551 K C 0.952 177.577 176.600 0.041 0.000 1.051 551 K CA 0.597 56.903 56.287 0.030 0.000 0.977 551 K CB -0.051 32.472 32.500 0.039 0.000 0.792 551 K HN 0.445 nan 8.250 nan 0.000 0.469 552 Q N 1.779 121.603 119.800 0.041 0.000 2.392 552 Q HA 0.040 4.380 4.340 0.000 0.000 0.262 552 Q C -0.928 175.089 176.000 0.028 0.000 1.003 552 Q CA 0.675 56.544 55.803 0.108 0.000 0.888 552 Q CB 1.279 30.115 28.738 0.165 0.000 1.260 552 Q HN 0.241 nan 8.270 nan 0.000 0.435 553 K N 0.913 121.427 120.400 0.190 0.000 2.637 553 K HA 0.461 4.781 4.320 0.000 0.000 0.248 553 K C -1.248 175.589 176.600 0.394 0.000 0.971 553 K CA -0.713 55.642 56.287 0.113 0.000 0.858 553 K CB 1.017 33.571 32.500 0.089 0.000 1.170 553 K HN 0.178 nan 8.250 nan 0.000 0.443 554 Y N 1.685 121.924 120.300 -0.102 0.000 2.387 554 Y HA 0.370 4.920 4.550 0.000 0.000 0.336 554 Y C -0.512 175.330 175.900 -0.095 0.000 1.067 554 Y CA -1.897 56.188 58.100 -0.024 0.000 1.114 554 Y CB 0.910 39.326 38.460 -0.074 0.000 1.208 554 Y HN 0.474 nan 8.280 nan 0.000 0.458 555 Y N 1.221 121.646 120.300 0.208 0.000 2.334 555 Y HA 0.556 5.106 4.550 0.000 0.000 0.336 555 Y C -0.137 175.876 175.900 0.188 0.000 0.960 555 Y CA -0.956 57.230 58.100 0.144 0.000 1.164 555 Y CB 1.450 39.983 38.460 0.122 0.000 1.155 555 Y HN 0.233 nan 8.280 nan 0.000 0.478 556 V N 3.087 123.125 119.914 0.207 0.000 2.732 556 V HA 0.216 4.336 4.120 0.000 0.000 0.310 556 V C -0.609 175.602 176.094 0.195 0.000 1.053 556 V CA -0.782 61.680 62.300 0.269 0.000 0.957 556 V CB 1.553 33.457 31.823 0.135 0.000 1.018 556 V HN 0.682 nan 8.190 nan 0.000 0.452 557 Y N 1.801 122.204 120.300 0.173 0.000 2.557 557 Y HA 0.292 4.843 4.550 0.000 0.000 0.247 557 Y C 0.660 176.655 175.900 0.159 0.000 1.164 557 Y CA -0.462 57.735 58.100 0.162 0.000 1.218 557 Y CB 0.210 38.733 38.460 0.105 0.000 1.210 557 Y HN 0.995 nan 8.280 nan 0.000 0.529 558 N N -3.335 115.542 118.700 0.295 0.000 3.427 558 N HA 0.078 4.819 4.740 0.000 0.000 0.313 558 N C -0.510 175.145 175.510 0.242 0.000 1.491 558 N CA -0.348 52.861 53.050 0.264 0.000 0.870 558 N CB 0.206 38.808 38.487 0.192 0.000 1.763 558 N HN -0.271 nan 8.380 nan 0.000 0.502 559 D N -1.082 119.442 120.400 0.207 0.000 2.162 559 D HA 0.147 4.787 4.640 0.000 0.000 0.205 559 D C 1.421 177.779 176.300 0.095 0.000 0.964 559 D CA 0.916 55.005 54.000 0.148 0.000 0.847 559 D CB 0.031 40.931 40.800 0.168 0.000 0.988 559 D HN 0.317 nan 8.370 nan 0.000 0.480 560 R N 1.165 121.741 120.500 0.126 0.000 2.103 560 R HA -0.107 4.233 4.340 0.000 0.000 0.234 560 R C 2.074 178.420 176.300 0.076 0.000 1.132 560 R CA 1.264 57.452 56.100 0.146 0.000 0.925 560 R CB -0.874 29.540 30.300 0.190 0.000 0.842 560 R HN 0.347 nan 8.270 nan 0.000 0.430 561 E N -0.009 120.209 120.200 0.030 0.000 2.171 561 E HA -0.209 4.142 4.350 0.000 0.000 0.197 561 E C 1.837 178.433 176.600 -0.006 0.000 0.997 561 E CA 1.102 57.506 56.400 0.007 0.000 0.810 561 E CB -0.242 29.480 29.700 0.037 0.000 0.738 561 E HN 0.067 nan 8.360 nan 0.000 0.467 562 L N 1.671 122.871 121.223 -0.038 0.000 2.027 562 L HA -0.177 4.164 4.340 0.000 0.000 0.206 562 L C 1.976 178.790 176.870 -0.094 0.000 1.074 562 L CA 1.924 56.672 54.840 -0.153 0.000 0.745 562 L CB -0.490 41.329 42.059 -0.401 0.000 0.898 562 L HN 0.012 nan 8.230 nan 0.000 0.433 563 D N -0.258 120.126 120.400 -0.025 0.000 2.104 563 D HA -0.264 4.376 4.640 0.000 0.000 0.194 563 D C 2.137 178.455 176.300 0.031 0.000 0.994 563 D CA 1.286 55.299 54.000 0.021 0.000 0.830 563 D CB -0.029 40.808 40.800 0.061 0.000 0.959 563 D HN 0.338 nan 8.370 nan 0.000 0.452 564 K N -0.285 120.136 120.400 0.035 0.000 2.074 564 K HA -0.190 4.130 4.320 0.000 0.000 0.209 564 K C 2.340 178.949 176.600 0.014 0.000 1.048 564 K CA 0.930 57.239 56.287 0.036 0.000 0.926 564 K CB -0.234 32.282 32.500 0.026 0.000 0.713 564 K HN 0.173 nan 8.250 nan 0.000 0.444 565 L N 1.034 122.244 121.223 -0.021 0.000 2.209 565 L HA -0.055 4.285 4.340 0.000 0.000 0.207 565 L C 1.717 178.524 176.870 -0.104 0.000 1.094 565 L CA 1.550 56.359 54.840 -0.051 0.000 0.790 565 L CB -0.207 41.810 42.059 -0.069 0.000 0.932 565 L HN -0.045 nan 8.230 nan 0.000 0.447 566 K N -0.805 119.538 120.400 -0.094 0.000 3.165 566 K HA 0.347 4.667 4.320 0.000 0.000 0.270 566 K C 1.047 177.760 176.600 0.188 0.000 1.111 566 K CA 0.622 56.907 56.287 -0.003 0.000 1.216 566 K CB -0.564 32.018 32.500 0.136 0.000 1.229 566 K HN 0.547 nan 8.250 nan 0.000 0.435 567 S N -1.136 114.631 115.700 0.111 0.000 4.193 567 S HA 0.025 4.495 4.470 0.000 0.000 0.211 567 S C 0.267 174.926 174.600 0.098 0.000 1.162 567 S CA 0.303 58.572 58.200 0.114 0.000 1.039 567 S CB 0.127 63.376 63.200 0.081 0.000 1.371 567 S HN 0.475 nan 8.310 nan 0.000 0.550 568 E N 1.408 121.648 120.200 0.067 0.000 2.528 568 E HA 0.348 4.698 4.350 0.000 0.000 0.237 568 E C -1.027 175.616 176.600 0.072 0.000 1.408 568 E CA 0.126 56.562 56.400 0.060 0.000 1.571 568 E CB -0.028 29.696 29.700 0.040 0.000 1.395 568 E HN 0.405 nan 8.360 nan 0.000 0.438 569 L N 0.308 121.595 121.223 0.106 0.000 2.489 569 L HA 0.222 4.562 4.340 0.000 0.000 0.257 569 L C 0.991 177.982 176.870 0.201 0.000 1.215 569 L CA -0.201 54.718 54.840 0.133 0.000 0.915 569 L CB 0.762 42.857 42.059 0.059 0.000 1.146 569 L HN 0.265 nan 8.230 nan 0.000 0.494 570 N N 1.413 120.197 118.700 0.142 0.000 2.424 570 N HA 0.059 4.799 4.740 0.000 0.000 0.178 570 N C -0.772 174.809 175.510 0.119 0.000 1.060 570 N CA 0.231 53.355 53.050 0.124 0.000 0.901 570 N CB -0.767 37.769 38.487 0.082 0.000 0.979 570 N HN 0.343 nan 8.380 nan 0.000 0.451 571 P HA -0.104 nan 4.420 nan 0.000 0.217 571 P C 0.094 177.457 177.300 0.105 0.000 1.151 571 P CA 1.604 64.765 63.100 0.103 0.000 0.849 571 P CB -0.540 31.223 31.700 0.105 0.000 0.787 572 T N -0.716 113.938 114.554 0.166 0.000 3.219 572 T HA -0.119 4.231 4.350 0.000 0.000 0.433 572 T C -2.239 172.491 174.700 0.049 0.000 0.771 572 T CA 0.290 62.457 62.100 0.112 0.000 2.178 572 T CB -1.712 67.173 68.868 0.030 0.000 1.666 572 T HN 0.300 nan 8.240 nan 0.000 0.607 573 P HA 0.508 nan 4.420 nan 0.000 0.221 573 P C 0.403 177.723 177.300 0.033 0.000 1.854 573 P CA 0.349 63.472 63.100 0.039 0.000 0.985 573 P CB -0.063 31.666 31.700 0.049 0.000 1.711 574 K N -0.862 119.513 120.400 -0.041 0.000 7.163 574 K HA -0.134 4.186 4.320 0.000 0.000 0.574 574 K C -0.464 176.196 176.600 0.100 0.000 2.584 574 K CA 0.551 56.754 56.287 -0.141 0.000 2.032 574 K CB -2.033 30.406 32.500 -0.103 0.000 2.177 574 K HN 0.160 nan 8.250 nan 0.000 0.203 575 W N -0.164 121.097 121.300 -0.065 0.000 2.367 575 W HA 0.767 5.427 4.660 0.000 0.000 0.369 575 W C 1.114 177.588 176.519 -0.075 0.000 1.276 575 W CA -0.411 56.881 57.345 -0.088 0.000 1.415 575 W CB 1.685 31.087 29.460 -0.096 0.000 1.306 575 W HN 1.266 nan 8.180 nan 0.000 0.669 576 S N 1.923 117.735 115.700 0.187 0.000 2.389 576 S HA 0.379 4.849 4.470 0.000 0.000 0.201 576 S C -1.148 173.475 174.600 0.038 0.000 1.422 576 S CA -0.575 57.673 58.200 0.079 0.000 1.216 576 S CB -0.508 62.710 63.200 0.030 0.000 1.130 576 S HN 0.411 nan 8.310 nan 0.000 0.465 577 I N 4.772 125.388 120.570 0.076 0.000 2.304 577 I HA 0.767 4.937 4.170 0.000 0.000 0.291 577 I C -0.061 176.070 176.117 0.024 0.000 1.018 577 I CA -0.392 60.928 61.300 0.033 0.000 1.260 577 I CB 0.747 38.797 38.000 0.084 0.000 1.390 577 I HN 0.648 nan 8.210 nan 0.000 0.475 578 A N 7.643 130.423 122.820 -0.066 0.000 2.294 578 A HA 0.750 5.070 4.320 0.000 0.000 0.330 578 A C -0.395 177.006 177.584 -0.306 0.000 1.133 578 A CA -0.786 51.147 52.037 -0.173 0.000 0.836 578 A CB 1.088 19.929 19.000 -0.266 0.000 1.190 578 A HN 0.884 nan 8.150 nan 0.000 0.492 579 R N 0.104 120.354 120.500 -0.418 0.000 2.803 579 R HA 0.601 4.941 4.340 0.000 0.000 0.276 579 R C -2.112 173.762 176.300 -0.710 0.000 0.978 579 R CA -0.476 55.262 56.100 -0.603 0.000 0.939 579 R CB 1.133 31.199 30.300 -0.390 0.000 1.179 579 R HN 0.688 nan 8.270 nan 0.000 0.472 580 Y N 3.415 123.522 120.300 -0.321 0.000 2.863 580 Y HA 0.159 4.709 4.550 0.000 0.000 0.348 580 Y C 0.875 176.635 175.900 -0.234 0.000 1.028 580 Y CA -0.904 57.067 58.100 -0.215 0.000 1.213 580 Y CB 1.523 39.891 38.460 -0.152 0.000 1.120 580 Y HN 0.751 nan 8.280 nan 0.000 0.598 581 K N 1.819 122.148 120.400 -0.118 0.000 2.107 581 K HA -0.097 4.223 4.320 0.000 0.000 0.211 581 K C 0.587 177.137 176.600 -0.083 0.000 1.049 581 K CA 1.938 58.123 56.287 -0.170 0.000 0.927 581 K CB -0.170 32.219 32.500 -0.184 0.000 0.714 581 K HN 0.729 nan 8.250 nan 0.000 0.452 582 G N -2.361 106.424 108.800 -0.026 0.000 2.608 582 G HA2 0.353 4.313 3.960 0.000 0.000 0.291 582 G HA3 0.353 4.313 3.960 0.000 0.000 0.291 582 G C -0.106 174.787 174.900 -0.013 0.000 1.425 582 G CA -0.382 44.710 45.100 -0.014 0.000 0.787 582 G HN 0.062 nan 8.290 nan 0.000 0.484 583 L N 0.602 121.810 121.223 -0.026 0.000 2.191 583 L HA 0.067 4.407 4.340 0.000 0.000 0.212 583 L C 2.871 179.707 176.870 -0.056 0.000 1.103 583 L CA 1.429 56.234 54.840 -0.058 0.000 0.769 583 L CB -0.291 41.741 42.059 -0.045 0.000 0.908 583 L HN 0.682 nan 8.230 nan 0.000 0.438 584 G N -0.533 108.252 108.800 -0.026 0.000 2.498 584 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 584 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 584 G C 1.459 176.357 174.900 -0.003 0.000 1.119 584 G CA 0.439 45.529 45.100 -0.016 0.000 0.766 584 G HN 0.453 nan 8.290 nan 0.000 0.552 585 E N -0.586 119.623 120.200 0.016 0.000 2.435 585 E HA 0.141 4.491 4.350 0.000 0.000 0.195 585 E C 0.950 177.605 176.600 0.092 0.000 1.029 585 E CA -0.237 56.214 56.400 0.086 0.000 0.865 585 E CB -0.022 29.768 29.700 0.151 0.000 0.833 585 E HN 0.329 nan 8.360 nan 0.000 0.510 586 M N 1.691 121.239 119.600 -0.087 0.000 2.146 586 M HA 0.182 4.662 4.480 0.000 0.000 0.357 586 M C 0.075 176.320 176.300 -0.092 0.000 1.261 586 M CA -0.610 54.544 55.300 -0.243 0.000 1.106 586 M CB 0.953 33.300 32.600 -0.421 0.000 1.612 586 M HN -0.104 nan 8.290 nan 0.000 0.470 587 N N 1.247 119.926 118.700 -0.036 0.000 2.273 587 N HA -0.003 4.737 4.740 0.000 0.000 0.227 587 N C 0.790 176.287 175.510 -0.022 0.000 1.292 587 N CA 0.318 53.364 53.050 -0.007 0.000 0.875 587 N CB 0.709 39.211 38.487 0.025 0.000 1.105 587 N HN 0.820 nan 8.380 nan 0.000 0.434 588 A N 0.889 123.704 122.820 -0.009 0.000 1.897 588 A HA -0.159 4.161 4.320 0.000 0.000 0.215 588 A C 1.645 179.242 177.584 0.022 0.000 1.181 588 A CA 1.745 53.775 52.037 -0.012 0.000 0.620 588 A CB -0.370 18.615 19.000 -0.025 0.000 0.821 588 A HN 0.872 nan 8.150 nan 0.000 0.443 589 D N -1.540 118.885 120.400 0.042 0.000 2.149 589 D HA -0.180 4.460 4.640 0.000 0.000 0.201 589 D C 1.538 177.927 176.300 0.147 0.000 0.972 589 D CA 1.052 55.121 54.000 0.114 0.000 0.835 589 D CB -0.492 40.366 40.800 0.096 0.000 0.966 589 D HN 0.264 nan 8.370 nan 0.000 0.476 590 Q N 0.387 120.235 119.800 0.079 0.000 2.197 590 Q HA -0.125 4.216 4.340 0.000 0.000 0.207 590 Q C 2.364 178.370 176.000 0.011 0.000 0.984 590 Q CA 0.639 56.477 55.803 0.058 0.000 0.869 590 Q CB -0.525 28.236 28.738 0.038 0.000 0.906 590 Q HN 0.387 nan 8.270 nan 0.000 0.426 591 L N -0.333 120.887 121.223 -0.005 0.000 2.072 591 L HA -0.087 4.253 4.340 0.000 0.000 0.205 591 L C 2.062 178.953 176.870 0.036 0.000 1.079 591 L CA 1.404 56.224 54.840 -0.034 0.000 0.752 591 L CB -0.584 41.441 42.059 -0.055 0.000 0.906 591 L HN 0.396 nan 8.230 nan 0.000 0.436 592 W N 0.877 122.121 121.300 -0.093 0.000 2.329 592 W HA -0.231 4.429 4.660 0.000 0.000 0.324 592 W C 1.863 178.354 176.519 -0.046 0.000 1.222 592 W CA 1.720 59.015 57.345 -0.083 0.000 1.270 592 W CB -0.056 29.369 29.460 -0.059 0.000 1.167 592 W HN 0.172 nan 8.180 nan 0.000 0.467 593 E N -0.241 119.939 120.200 -0.035 0.000 2.409 593 E HA -0.146 4.204 4.350 0.000 0.000 0.198 593 E C 1.891 178.438 176.600 -0.089 0.000 1.024 593 E CA 1.847 58.190 56.400 -0.096 0.000 0.861 593 E CB -0.420 29.324 29.700 0.073 0.000 0.788 593 E HN 0.499 nan 8.360 nan 0.000 0.521 594 T N -3.801 110.674 114.554 -0.133 0.000 2.990 594 T HA 0.108 4.459 4.350 0.000 0.000 0.249 594 T C 1.589 176.213 174.700 -0.126 0.000 1.039 594 T CA 0.518 62.514 62.100 -0.173 0.000 1.036 594 T CB 0.353 69.093 68.868 -0.214 0.000 0.994 594 T HN -0.043 nan 8.240 nan 0.000 0.489 595 T N 0.317 114.787 114.554 -0.141 0.000 3.046 595 T HA 0.445 4.795 4.350 0.000 0.000 0.270 595 T C 1.261 175.858 174.700 -0.171 0.000 0.920 595 T CA -0.304 61.731 62.100 -0.107 0.000 0.874 595 T CB 0.294 69.126 68.868 -0.060 0.000 1.214 595 T HN 0.177 nan 8.240 nan 0.000 0.536 596 M N 0.640 120.054 119.600 -0.311 0.000 2.296 596 M HA 0.305 4.785 4.480 0.000 0.000 0.291 596 M C 0.374 176.136 176.300 -0.896 0.000 1.013 596 M CA 0.025 55.092 55.300 -0.389 0.000 1.089 596 M CB 0.444 32.960 32.600 -0.140 0.000 1.677 596 M HN 0.081 nan 8.290 nan 0.000 0.584 597 N N 2.461 120.373 118.700 -1.313 0.000 2.488 597 N HA 0.134 4.874 4.740 0.000 0.000 0.274 597 N C -2.304 172.747 175.510 -0.766 0.000 1.111 597 N CA -1.439 50.668 53.050 -1.570 0.000 0.974 597 N CB 1.567 39.156 38.487 -1.496 0.000 1.089 597 N HN -0.182 nan 8.380 nan 0.000 0.465 598 P HA 0.148 nan 4.420 nan 0.000 0.243 598 P C -0.651 176.482 177.300 -0.277 0.000 1.668 598 P CA 0.383 63.313 63.100 -0.283 0.000 0.898 598 P CB 0.358 31.977 31.700 -0.135 0.000 1.637 599 E N -0.880 119.056 120.200 -0.440 0.000 2.175 599 E HA -0.007 4.343 4.350 0.000 0.000 0.193 599 E C 1.182 177.613 176.600 -0.281 0.000 0.962 599 E CA 0.449 56.639 56.400 -0.350 0.000 0.981 599 E CB -0.265 29.199 29.700 -0.394 0.000 1.093 599 E HN 0.441 nan 8.360 nan 0.000 0.483 600 H N 0.959 119.930 119.070 -0.165 0.000 2.535 600 H HA 0.123 4.680 4.556 0.000 0.000 0.273 600 H C 0.360 175.590 175.328 -0.163 0.000 0.983 600 H CA 0.005 55.963 56.048 -0.150 0.000 1.238 600 H CB -0.494 29.174 29.762 -0.156 0.000 1.412 600 H HN -0.056 nan 8.280 nan 0.000 0.562 601 R N 1.927 122.305 120.500 -0.204 0.000 2.480 601 R HA 0.242 4.582 4.340 0.000 0.000 0.303 601 R C -0.481 175.753 176.300 -0.110 0.000 0.985 601 R CA 0.336 56.337 56.100 -0.164 0.000 1.051 601 R CB 0.364 30.526 30.300 -0.231 0.000 0.935 601 R HN 0.201 nan 8.270 nan 0.000 0.410 602 A N 6.806 129.582 122.820 -0.073 0.000 3.000 602 A HA 0.257 4.577 4.320 0.000 0.000 0.315 602 A C 0.069 177.628 177.584 -0.042 0.000 1.434 602 A CA -0.764 51.236 52.037 -0.061 0.000 1.108 602 A CB 0.186 19.148 19.000 -0.063 0.000 1.171 602 A HN 0.754 nan 8.150 nan 0.000 0.524 603 L N 2.541 123.731 121.223 -0.056 0.000 2.319 603 L HA 0.303 4.643 4.340 0.000 0.000 0.280 603 L C -0.335 176.566 176.870 0.052 0.000 1.099 603 L CA -0.261 54.564 54.840 -0.026 0.000 0.828 603 L CB 1.145 43.097 42.059 -0.179 0.000 1.150 603 L HN 0.580 nan 8.230 nan 0.000 0.442 604 L N 2.933 124.224 121.223 0.114 0.000 2.257 604 L HA 0.426 4.766 4.340 0.000 0.000 0.290 604 L C 0.091 177.096 176.870 0.224 0.000 1.044 604 L CA -0.548 54.371 54.840 0.132 0.000 0.810 604 L CB 0.789 42.883 42.059 0.058 0.000 1.193 604 L HN 0.609 nan 8.230 nan 0.000 0.425 605 Q N 2.759 122.700 119.800 0.235 0.000 2.289 605 Q HA 0.246 4.586 4.340 0.000 0.000 0.273 605 Q C -0.480 175.453 176.000 -0.111 0.000 1.029 605 Q CA -0.473 55.295 55.803 -0.059 0.000 0.896 605 Q CB 1.222 29.923 28.738 -0.061 0.000 1.182 605 Q HN 0.639 nan 8.270 nan 0.000 0.385 606 V N 4.235 124.036 119.914 -0.188 0.000 3.051 606 V HA 0.274 4.394 4.120 0.000 0.000 0.306 606 V C 0.171 176.184 176.094 -0.136 0.000 1.083 606 V CA 0.013 62.237 62.300 -0.128 0.000 1.104 606 V CB 1.110 32.854 31.823 -0.132 0.000 1.027 606 V HN 0.784 nan 8.190 nan 0.000 0.483 607 K N 2.128 122.471 120.400 -0.097 0.000 2.523 607 K HA 0.423 4.743 4.320 0.000 0.000 0.257 607 K C -2.041 174.507 176.600 -0.086 0.000 0.932 607 K CA -0.891 55.343 56.287 -0.089 0.000 0.812 607 K CB 2.014 34.473 32.500 -0.069 0.000 1.326 607 K HN 0.423 nan 8.250 nan 0.000 0.433 608 L N 4.712 125.882 121.223 -0.088 0.000 2.260 608 L HA 0.237 4.577 4.340 0.000 0.000 0.289 608 L C 0.752 177.581 176.870 -0.069 0.000 1.057 608 L CA 0.451 55.234 54.840 -0.096 0.000 0.811 608 L CB 0.858 42.860 42.059 -0.096 0.000 1.184 608 L HN 0.779 nan 8.230 nan 0.000 0.429 609 E N 1.848 122.009 120.200 -0.065 0.000 3.349 609 E HA 0.074 4.424 4.350 0.000 0.000 0.412 609 E C -0.363 176.211 176.600 -0.043 0.000 0.363 609 E CA -0.554 55.819 56.400 -0.045 0.000 2.411 609 E CB -0.040 29.639 29.700 -0.034 0.000 2.217 609 E HN 0.390 nan 8.360 nan 0.000 0.453 610 D N 0.605 120.986 120.400 -0.033 0.000 2.402 610 D HA 0.058 4.699 4.640 0.000 0.000 0.268 610 D C 0.437 176.717 176.300 -0.033 0.000 1.294 610 D CA 0.198 54.184 54.000 -0.024 0.000 0.945 610 D CB 0.805 41.598 40.800 -0.011 0.000 1.112 610 D HN 0.350 nan 8.370 nan 0.000 0.517 611 A N 5.169 127.974 122.820 -0.025 0.000 1.970 611 A HA -0.083 4.237 4.320 0.000 0.000 0.216 611 A C 2.154 179.750 177.584 0.019 0.000 1.170 611 A CA 0.361 52.391 52.037 -0.012 0.000 0.645 611 A CB -0.090 18.913 19.000 0.006 0.000 0.816 611 A HN 0.684 nan 8.150 nan 0.000 0.447 612 I N -0.246 120.332 120.570 0.013 0.000 2.676 612 I HA -0.104 4.067 4.170 0.000 0.000 0.259 612 I C 2.130 178.266 176.117 0.032 0.000 1.194 612 I CA 1.330 62.643 61.300 0.021 0.000 1.473 612 I CB -0.613 37.394 38.000 0.012 0.000 1.096 612 I HN 0.500 nan 8.210 nan 0.000 0.443 613 E N 0.554 120.770 120.200 0.027 0.000 2.460 613 E HA 0.084 4.434 4.350 0.000 0.000 0.200 613 E C 2.050 178.687 176.600 0.061 0.000 1.011 613 E CA 0.282 56.706 56.400 0.039 0.000 0.912 613 E CB 0.535 30.250 29.700 0.026 0.000 0.953 613 E HN 0.315 nan 8.360 nan 0.000 0.494 614 A N 1.215 124.060 122.820 0.041 0.000 2.015 614 A HA -0.148 4.172 4.320 0.000 0.000 0.219 614 A C 1.616 179.341 177.584 0.235 0.000 1.163 614 A CA 1.277 53.353 52.037 0.066 0.000 0.646 614 A CB -0.099 18.760 19.000 -0.234 0.000 0.806 614 A HN 0.152 nan 8.150 nan 0.000 0.448 615 D N -0.374 120.132 120.400 0.177 0.000 2.137 615 D HA -0.089 4.552 4.640 0.000 0.000 0.202 615 D C 1.861 178.252 176.300 0.152 0.000 0.970 615 D CA 1.115 55.219 54.000 0.174 0.000 0.837 615 D CB -0.368 40.484 40.800 0.087 0.000 0.981 615 D HN 0.562 nan 8.370 nan 0.000 0.475 616 Q N -0.284 119.583 119.800 0.111 0.000 2.515 616 Q HA 0.012 4.353 4.340 0.000 0.000 0.212 616 Q C 1.431 177.491 176.000 0.099 0.000 0.970 616 Q CA 0.687 56.542 55.803 0.087 0.000 0.941 616 Q CB 0.332 29.108 28.738 0.063 0.000 0.998 616 Q HN 0.088 nan 8.270 nan 0.000 0.518 617 T N -1.086 113.550 114.554 0.138 0.000 3.042 617 T HA 0.071 4.421 4.350 0.000 0.000 0.245 617 T C 0.888 175.614 174.700 0.043 0.000 1.029 617 T CA 0.149 62.307 62.100 0.098 0.000 1.120 617 T CB 0.074 68.993 68.868 0.086 0.000 0.917 617 T HN 0.135 nan 8.240 nan 0.000 0.467 618 F N 1.907 121.852 119.950 -0.008 0.000 2.113 618 F HA 0.061 4.588 4.527 0.000 0.000 0.297 618 F C 2.457 178.222 175.800 -0.058 0.000 1.103 618 F CA 1.058 59.042 58.000 -0.028 0.000 1.248 618 F CB -0.386 38.653 39.000 0.065 0.000 0.999 618 F HN 0.097 nan 8.300 nan 0.000 0.475 619 E N 0.562 120.860 120.200 0.163 0.000 2.070 619 E HA -0.301 4.049 4.350 0.000 0.000 0.197 619 E C 2.199 178.804 176.600 0.010 0.000 1.004 619 E CA 1.839 58.280 56.400 0.069 0.000 0.805 619 E CB -0.460 29.277 29.700 0.062 0.000 0.744 619 E HN 0.410 nan 8.360 nan 0.000 0.451 620 M N -0.723 118.878 119.600 0.002 0.000 2.213 620 M HA -0.115 4.365 4.480 0.000 0.000 0.263 620 M C 1.462 177.674 176.300 -0.146 0.000 1.062 620 M CA 1.482 56.768 55.300 -0.023 0.000 1.105 620 M CB 0.076 32.700 32.600 0.041 0.000 1.385 620 M HN 0.201 nan 8.290 nan 0.000 0.417 621 L N -0.958 120.089 121.223 -0.292 0.000 2.200 621 L HA 0.032 4.373 4.340 0.000 0.000 0.200 621 L C 2.062 178.590 176.870 -0.570 0.000 1.072 621 L CA 0.380 54.832 54.840 -0.647 0.000 0.787 621 L CB -0.364 41.129 42.059 -0.944 0.000 0.957 621 L HN 0.358 nan 8.230 nan 0.000 0.459 622 M N -0.271 119.134 119.600 -0.324 0.000 2.461 622 M HA 0.243 4.723 4.480 0.000 0.000 0.255 622 M C 1.179 177.461 176.300 -0.030 0.000 1.137 622 M CA 0.117 55.329 55.300 -0.146 0.000 1.086 622 M CB -1.075 31.488 32.600 -0.061 0.000 1.356 622 M HN 0.020 nan 8.290 nan 0.000 0.487 623 G N 2.188 110.973 108.800 -0.024 0.000 2.594 623 G HA2 0.147 4.107 3.960 0.000 0.000 0.243 623 G HA3 0.147 4.107 3.960 0.000 0.000 0.243 623 G C 0.253 175.162 174.900 0.015 0.000 1.229 623 G CA -0.205 44.901 45.100 0.010 0.000 0.843 623 G HN 0.479 nan 8.290 nan 0.000 0.578 624 D N -0.726 119.690 120.400 0.026 0.000 2.348 624 D HA -0.057 4.583 4.640 0.000 0.000 0.248 624 D C 0.470 176.789 176.300 0.031 0.000 1.142 624 D CA -0.121 53.898 54.000 0.032 0.000 0.904 624 D CB -0.062 40.757 40.800 0.032 0.000 0.901 624 D HN 0.046 nan 8.370 nan 0.000 0.523 625 V N 1.213 121.143 119.914 0.028 0.000 2.347 625 V HA 0.068 4.188 4.120 0.000 0.000 0.280 625 V C 1.478 177.595 176.094 0.039 0.000 1.021 625 V CA -0.718 61.600 62.300 0.031 0.000 0.847 625 V CB 1.624 33.465 31.823 0.029 0.000 0.990 625 V HN -0.061 nan 8.190 nan 0.000 0.444 626 V N 3.713 123.654 119.914 0.044 0.000 2.223 626 V HA -0.172 3.948 4.120 0.000 0.000 0.244 626 V C 2.288 178.418 176.094 0.060 0.000 1.045 626 V CA 1.990 64.322 62.300 0.054 0.000 1.000 626 V CB -0.399 31.452 31.823 0.047 0.000 0.635 626 V HN 0.957 nan 8.190 nan 0.000 0.445 627 E N 0.410 120.641 120.200 0.052 0.000 2.463 627 E HA -0.159 4.191 4.350 0.000 0.000 0.201 627 E C 1.690 178.331 176.600 0.067 0.000 1.045 627 E CA 0.718 57.152 56.400 0.057 0.000 0.872 627 E CB -0.303 29.424 29.700 0.045 0.000 0.797 627 E HN 0.572 nan 8.360 nan 0.000 0.538 628 N N -0.691 118.049 118.700 0.067 0.000 2.336 628 N HA 0.002 4.742 4.740 0.000 0.000 0.177 628 N C 1.394 176.972 175.510 0.114 0.000 1.018 628 N CA 0.685 53.782 53.050 0.079 0.000 0.878 628 N CB 0.013 38.533 38.487 0.055 0.000 0.997 628 N HN 0.081 nan 8.380 nan 0.000 0.433 629 R N 0.240 120.796 120.500 0.095 0.000 2.290 629 R HA 0.243 4.583 4.340 0.000 0.000 0.197 629 R C 1.833 178.229 176.300 0.160 0.000 0.913 629 R CA 0.132 56.294 56.100 0.104 0.000 1.040 629 R CB 0.397 30.733 30.300 0.060 0.000 0.992 629 R HN 0.018 nan 8.270 nan 0.000 0.500 630 R N -0.275 120.306 120.500 0.135 0.000 2.156 630 R HA 0.036 4.376 4.340 0.000 0.000 0.207 630 R C 1.577 177.963 176.300 0.143 0.000 1.040 630 R CA 0.499 56.677 56.100 0.129 0.000 1.013 630 R CB 0.244 30.598 30.300 0.089 0.000 0.931 630 R HN 0.184 nan 8.270 nan 0.000 0.465 631 Q N 0.039 119.921 119.800 0.136 0.000 2.084 631 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 631 Q C 1.776 177.870 176.000 0.156 0.000 0.978 631 Q CA 1.599 57.474 55.803 0.119 0.000 0.844 631 Q CB -0.286 28.510 28.738 0.096 0.000 0.898 631 Q HN 0.324 nan 8.270 nan 0.000 0.426 632 F N 0.682 120.661 119.950 0.048 0.000 2.010 632 F HA -0.286 4.241 4.527 0.000 0.000 0.296 632 F C 2.122 177.957 175.800 0.057 0.000 1.146 632 F CA 1.264 59.295 58.000 0.052 0.000 1.181 632 F CB -0.269 38.768 39.000 0.062 0.000 0.965 632 F HN -0.029 nan 8.300 nan 0.000 0.480 633 I N 1.167 122.080 120.570 0.573 0.000 2.087 633 I HA -0.369 3.801 4.170 0.000 0.000 0.240 633 I C 2.467 178.685 176.117 0.168 0.000 1.054 633 I CA 2.179 63.709 61.300 0.383 0.000 1.311 633 I CB -0.874 37.280 38.000 0.257 0.000 1.024 633 I HN 0.325 nan 8.210 nan 0.000 0.402 634 E N 0.363 120.645 120.200 0.136 0.000 2.147 634 E HA -0.315 4.035 4.350 0.000 0.000 0.199 634 E C 1.601 178.228 176.600 0.046 0.000 1.005 634 E CA 2.001 58.455 56.400 0.091 0.000 0.810 634 E CB -0.027 29.721 29.700 0.079 0.000 0.736 634 E HN 0.509 nan 8.360 nan 0.000 0.460 635 D N -0.413 119.990 120.400 0.005 0.000 2.149 635 D HA -0.077 4.563 4.640 0.000 0.000 0.201 635 D C 1.245 177.493 176.300 -0.086 0.000 0.972 635 D CA 0.937 54.907 54.000 -0.051 0.000 0.835 635 D CB -0.090 40.651 40.800 -0.099 0.000 0.966 635 D HN 0.165 nan 8.370 nan 0.000 0.476 636 N N -0.419 118.208 118.700 -0.123 0.000 2.250 636 N HA 0.223 4.963 4.740 0.000 0.000 0.190 636 N C -0.109 175.347 175.510 -0.091 0.000 1.116 636 N CA 0.000 52.960 53.050 -0.150 0.000 0.881 636 N CB 0.463 38.757 38.487 -0.321 0.000 1.006 636 N HN 0.008 nan 8.380 nan 0.000 0.491 637 A N 0.861 123.634 122.820 -0.079 0.000 2.401 637 A HA 0.507 4.828 4.320 0.000 0.000 0.259 637 A C 0.448 177.817 177.584 -0.359 0.000 1.103 637 A CA -0.362 51.554 52.037 -0.202 0.000 0.789 637 A CB 0.310 19.171 19.000 -0.231 0.000 1.035 637 A HN -0.036 nan 8.150 nan 0.000 0.491 638 V N 1.168 120.806 119.914 -0.460 0.000 3.302 638 V HA 0.608 4.728 4.120 0.000 0.000 0.316 638 V C 0.178 175.835 176.094 -0.730 0.000 1.111 638 V CA -0.296 61.721 62.300 -0.471 0.000 1.029 638 V CB 0.558 32.076 31.823 -0.508 0.000 1.170 638 V HN 0.992 nan 8.190 nan 0.000 0.452 639 Y N -0.610 119.601 120.300 -0.148 0.000 2.303 639 Y HA 0.502 5.052 4.550 0.000 0.000 0.083 639 Y C 2.123 177.975 175.900 -0.080 0.000 0.992 639 Y CA 0.186 58.234 58.100 -0.085 0.000 1.765 639 Y CB -0.344 38.082 38.460 -0.056 0.000 1.088 639 Y HN 0.450 nan 8.280 nan 0.000 0.199 640 A N 1.171 124.076 122.820 0.142 0.000 2.139 640 A HA -0.124 4.196 4.320 0.000 0.000 0.221 640 A C 1.132 178.726 177.584 0.017 0.000 1.159 640 A CA 1.242 53.318 52.037 0.065 0.000 0.662 640 A CB -2.320 16.708 19.000 0.047 0.000 0.796 640 A HN 0.632 nan 8.150 nan 0.000 0.463 641 N N 0.295 118.956 118.700 -0.064 0.000 2.332 641 N HA 0.251 4.992 4.740 0.000 0.000 0.274 641 N C 0.637 176.124 175.510 -0.039 0.000 1.351 641 N CA 0.854 53.809 53.050 -0.158 0.000 0.875 641 N CB -0.595 37.622 38.487 -0.450 0.000 1.140 641 N HN 0.938 nan 8.380 nan 0.000 0.489 642 L N -1.020 120.259 121.223 0.093 0.000 2.640 642 L HA 0.264 4.605 4.340 0.000 0.000 0.230 642 L C 1.221 178.259 176.870 0.280 0.000 1.123 642 L CA -0.131 54.843 54.840 0.223 0.000 0.900 642 L CB 0.111 42.251 42.059 0.135 0.000 1.146 642 L HN 0.625 nan 8.230 nan 0.000 0.484 643 D N 1.627 122.169 120.400 0.237 0.000 2.087 643 D HA -0.182 4.458 4.640 0.000 0.000 0.210 643 D C 1.099 177.650 176.300 0.420 0.000 0.973 643 D CA 0.767 54.908 54.000 0.235 0.000 0.882 643 D CB -1.066 39.800 40.800 0.111 0.000 1.019 643 D HN 0.268 nan 8.370 nan 0.000 0.450 1003 E N 0.709 120.925 120.200 0.027 0.000 3.513 1003 E HA 0.389 4.739 4.350 0.000 0.000 0.295 1003 E C 0.325 176.903 176.600 -0.036 0.000 0.838 1003 E CA 1.359 57.757 56.400 -0.004 0.000 0.995 1003 E CB -0.152 29.545 29.700 -0.005 0.000 0.968 1003 E HN 2.619 nan 8.360 nan 0.000 0.532 1004 L N 1.560 122.758 121.223 -0.041 0.000 1.765 1004 L HA -0.028 4.313 4.340 0.000 0.000 0.613 1004 L C -2.461 174.387 176.870 -0.036 0.000 1.001 1004 L CA 0.020 54.842 54.840 -0.030 0.000 1.298 1004 L CB -1.521 40.529 42.059 -0.015 0.000 2.104 1004 L HN 0.722 nan 8.230 nan 0.000 1.040 1005 P HA 0.421 nan 4.420 nan 0.000 0.261 1005 P C 0.624 177.904 177.300 -0.033 0.000 1.158 1005 P CA 1.919 64.993 63.100 -0.044 0.000 0.758 1005 P CB 0.344 32.017 31.700 -0.045 0.000 0.763 1006 Q N 1.062 120.843 119.800 -0.032 0.000 2.412 1006 Q HA -0.085 4.255 4.340 0.000 0.000 0.247 1006 Q C 0.413 176.392 176.000 -0.034 0.000 0.708 1006 Q CA 0.709 56.490 55.803 -0.037 0.000 1.273 1006 Q CB -2.884 25.823 28.738 -0.052 0.000 1.099 1006 Q HN 0.934 nan 8.270 nan 0.000 0.846 1007 S N 0.372 116.055 115.700 -0.028 0.000 4.461 1007 S HA -0.203 4.267 4.470 0.000 0.000 0.302 1007 S C 0.425 175.008 174.600 -0.028 0.000 0.454 1007 S CA 0.752 58.937 58.200 -0.025 0.000 1.286 1007 S CB -1.060 62.128 63.200 -0.020 0.000 2.085 1007 S HN 1.541 nan 8.310 nan 0.000 0.320 1008 R N 0.861 121.343 120.500 -0.030 0.000 4.134 1008 R HA 0.187 4.528 4.340 0.000 0.000 0.157 1008 R C 1.099 177.383 176.300 -0.027 0.000 1.876 1008 R CA 0.864 56.944 56.100 -0.033 0.000 1.334 1008 R CB -1.692 28.588 30.300 -0.033 0.000 1.277 1008 R HN 0.977 nan 8.270 nan 0.000 0.721 1009 I N -0.280 120.276 120.570 -0.024 0.000 4.160 1009 I HA 0.075 4.245 4.170 0.000 0.000 0.325 1009 I C 0.306 176.416 176.117 -0.012 0.000 1.455 1009 I CA -0.795 60.495 61.300 -0.018 0.000 1.142 1009 I CB -0.173 37.817 38.000 -0.016 0.000 1.262 1009 I HN 0.366 nan 8.210 nan 0.000 0.483 1010 N N 2.994 121.685 118.700 -0.014 0.000 2.722 1010 N HA -0.200 4.540 4.740 0.000 0.000 0.274 1010 N C 0.034 175.554 175.510 0.016 0.000 0.987 1010 N CA 1.616 54.665 53.050 -0.002 0.000 0.817 1010 N CB -0.745 37.743 38.487 0.002 0.000 0.921 1010 N HN 1.059 nan 8.380 nan 0.000 0.565 1011 E N -1.695 118.507 120.200 0.003 0.000 2.307 1011 E HA 0.488 4.838 4.350 0.000 0.000 0.280 1011 E C -1.002 175.591 176.600 -0.012 0.000 0.900 1011 E CA -1.083 55.316 56.400 -0.002 0.000 0.790 1011 E CB 1.544 31.237 29.700 -0.011 0.000 1.261 1011 E HN 0.066 nan 8.360 nan 0.000 0.405 1012 R N 2.355 122.847 120.500 -0.014 0.000 2.310 1012 R HA 0.276 4.616 4.340 0.000 0.000 0.324 1012 R C -0.797 175.490 176.300 -0.023 0.000 0.955 1012 R CA -0.659 55.434 56.100 -0.013 0.000 0.830 1012 R CB 0.841 31.140 30.300 0.000 0.000 1.154 1012 R HN 0.623 nan 8.270 nan 0.000 0.458 1013 N N 4.536 123.223 118.700 -0.021 0.000 2.440 1013 N HA -0.067 4.673 4.740 0.000 0.000 0.265 1013 N C 1.044 176.540 175.510 -0.023 0.000 1.239 1013 N CA 0.381 53.414 53.050 -0.028 0.000 0.909 1013 N CB 0.402 38.876 38.487 -0.022 0.000 1.066 1013 N HN 0.820 nan 8.380 nan 0.000 0.474 1014 I N 2.424 122.971 120.570 -0.038 0.000 2.248 1014 I HA -0.335 3.835 4.170 0.000 0.000 0.248 1014 I C 1.145 177.260 176.117 -0.002 0.000 1.107 1014 I CA 1.357 62.645 61.300 -0.021 0.000 1.373 1014 I CB -0.114 37.857 38.000 -0.048 0.000 1.055 1014 I HN 0.627 nan 8.210 nan 0.000 0.418 1015 T N -0.580 113.969 114.554 -0.008 0.000 2.951 1015 T HA -0.087 4.263 4.350 0.000 0.000 0.268 1015 T C 1.912 176.622 174.700 0.016 0.000 1.073 1015 T CA 1.299 63.404 62.100 0.007 0.000 1.134 1015 T CB -0.086 68.791 68.868 0.014 0.000 0.884 1015 T HN 0.311 nan 8.240 nan 0.000 0.479 1016 S N 1.236 116.945 115.700 0.016 0.000 2.406 1016 S HA -0.047 4.423 4.470 0.000 0.000 0.228 1016 S C 2.067 176.691 174.600 0.039 0.000 1.020 1016 S CA 0.955 59.172 58.200 0.028 0.000 0.965 1016 S CB -0.114 63.096 63.200 0.016 0.000 0.798 1016 S HN 0.609 nan 8.310 nan 0.000 0.488 1017 E N 1.866 122.083 120.200 0.028 0.000 2.028 1017 E HA -0.015 4.336 4.350 0.000 0.000 0.190 1017 E C 1.958 178.585 176.600 0.046 0.000 0.984 1017 E CA 1.119 57.542 56.400 0.039 0.000 0.800 1017 E CB -0.213 29.508 29.700 0.034 0.000 0.758 1017 E HN 0.271 nan 8.360 nan 0.000 0.448 1018 M N 0.245 119.846 119.600 0.001 0.000 2.374 1018 M HA -0.042 4.438 4.480 0.000 0.000 0.264 1018 M C 2.187 178.494 176.300 0.012 0.000 1.067 1018 M CA 1.190 56.458 55.300 -0.054 0.000 1.103 1018 M CB -0.511 31.927 32.600 -0.271 0.000 1.402 1018 M HN 0.134 nan 8.290 nan 0.000 0.444 1019 R N 0.358 120.905 120.500 0.078 0.000 2.066 1019 R HA -0.094 4.246 4.340 0.000 0.000 0.232 1019 R C 2.008 178.465 176.300 0.262 0.000 1.131 1019 R CA 1.181 57.418 56.100 0.228 0.000 0.955 1019 R CB -0.129 30.302 30.300 0.219 0.000 0.851 1019 R HN 0.500 nan 8.270 nan 0.000 0.432 1020 E N -0.213 120.091 120.200 0.173 0.000 2.158 1020 E HA -0.025 4.325 4.350 0.000 0.000 0.191 1020 E C 1.924 178.623 176.600 0.165 0.000 0.982 1020 E CA 0.691 57.190 56.400 0.164 0.000 0.823 1020 E CB 0.204 29.971 29.700 0.113 0.000 0.766 1020 E HN 0.132 nan 8.360 nan 0.000 0.468 1021 S N 0.280 116.073 115.700 0.155 0.000 2.395 1021 S HA -0.037 4.433 4.470 0.000 0.000 0.225 1021 S C 1.399 176.124 174.600 0.208 0.000 1.027 1021 S CA 0.345 58.640 58.200 0.158 0.000 0.965 1021 S CB -0.072 63.203 63.200 0.126 0.000 0.812 1021 S HN 0.239 nan 8.310 nan 0.000 0.482 1022 F N 1.123 121.108 119.950 0.059 0.000 2.661 1022 F HA 0.201 4.728 4.527 0.000 0.000 0.298 1022 F C 1.492 177.343 175.800 0.085 0.000 1.137 1022 F CA 0.280 58.321 58.000 0.067 0.000 1.454 1022 F CB 0.119 39.072 39.000 -0.077 0.000 1.103 1022 F HN 0.131 nan 8.300 nan 0.000 0.577 1023 L N -0.277 121.083 121.223 0.229 0.000 2.202 1023 L HA -0.005 4.335 4.340 0.000 0.000 0.205 1023 L C 1.989 178.926 176.870 0.112 0.000 1.083 1023 L CA 1.447 56.404 54.840 0.196 0.000 0.790 1023 L CB -0.872 41.379 42.059 0.321 0.000 0.942 1023 L HN -0.086 nan 8.230 nan 0.000 0.452 1024 D N -1.153 119.328 120.400 0.135 0.000 2.116 1024 D HA -0.299 4.342 4.640 0.000 0.000 0.193 1024 D C 1.944 178.301 176.300 0.094 0.000 0.998 1024 D CA 1.822 55.895 54.000 0.121 0.000 0.836 1024 D CB -0.023 40.864 40.800 0.144 0.000 0.951 1024 D HN 0.480 nan 8.370 nan 0.000 0.449 1025 Y N 0.949 121.215 120.300 -0.056 0.000 2.206 1025 Y HA 0.030 4.581 4.550 0.000 0.000 0.292 1025 Y C 2.192 177.967 175.900 -0.208 0.000 1.123 1025 Y CA 1.612 59.636 58.100 -0.126 0.000 1.142 1025 Y CB -0.428 37.942 38.460 -0.150 0.000 1.006 1025 Y HN -0.062 nan 8.280 nan 0.000 0.518 1026 A N 0.917 123.562 122.820 -0.291 0.000 1.948 1026 A HA -0.212 4.108 4.320 0.000 0.000 0.220 1026 A C 2.167 179.620 177.584 -0.217 0.000 1.177 1026 A CA 2.006 53.840 52.037 -0.340 0.000 0.636 1026 A CB -0.718 18.151 19.000 -0.218 0.000 0.815 1026 A HN 0.520 nan 8.150 nan 0.000 0.449 1027 M N -0.659 118.869 119.600 -0.120 0.000 2.200 1027 M HA -0.125 4.355 4.480 0.000 0.000 0.261 1027 M C 2.508 178.753 176.300 -0.092 0.000 1.074 1027 M CA 1.950 57.207 55.300 -0.072 0.000 1.098 1027 M CB -1.632 30.942 32.600 -0.043 0.000 1.268 1027 M HN 0.522 nan 8.290 nan 0.000 0.432 1028 S N -0.014 115.628 115.700 -0.097 0.000 2.414 1028 S HA -0.165 4.305 4.470 0.000 0.000 0.241 1028 S C 1.941 176.446 174.600 -0.158 0.000 1.079 1028 S CA 2.013 60.158 58.200 -0.093 0.000 1.087 1028 S CB -0.299 62.858 63.200 -0.071 0.000 0.927 1028 S HN 0.293 nan 8.310 nan 0.000 0.456 1029 V N 1.956 121.685 119.914 -0.309 0.000 2.488 1029 V HA -0.019 4.101 4.120 0.000 0.000 0.246 1029 V C 2.224 178.224 176.094 -0.157 0.000 1.046 1029 V CA 1.320 63.441 62.300 -0.298 0.000 1.053 1029 V CB -0.427 31.097 31.823 -0.497 0.000 0.679 1029 V HN 0.536 nan 8.190 nan 0.000 0.458 1030 I N 0.729 121.227 120.570 -0.119 0.000 2.614 1030 I HA -0.121 4.049 4.170 0.000 0.000 0.258 1030 I C 2.136 178.252 176.117 -0.001 0.000 1.189 1030 I CA 1.782 63.058 61.300 -0.039 0.000 1.462 1030 I CB -0.814 37.192 38.000 0.010 0.000 1.092 1030 I HN 0.430 nan 8.210 nan 0.000 0.442 1031 V N -1.860 118.057 119.914 0.005 0.000 3.090 1031 V HA 0.466 4.586 4.120 0.000 0.000 0.237 1031 V C 1.430 177.534 176.094 0.016 0.000 1.209 1031 V CA 0.439 62.757 62.300 0.030 0.000 1.209 1031 V CB -0.051 31.824 31.823 0.087 0.000 0.971 1031 V HN 0.164 nan 8.190 nan 0.000 0.477 1032 A N 0.201 123.025 122.820 0.007 0.000 3.041 1032 A HA 0.767 5.087 4.320 0.000 0.000 0.307 1032 A C 1.089 178.672 177.584 -0.001 0.000 1.116 1032 A CA 0.313 52.361 52.037 0.019 0.000 1.001 1032 A CB -0.059 18.964 19.000 0.040 0.000 1.112 1032 A HN 0.534 nan 8.150 nan 0.000 0.556 1033 R N -2.143 118.350 120.500 -0.012 0.000 2.937 1033 R HA 0.094 4.435 4.340 0.000 0.000 0.036 1033 R C 0.872 177.171 176.300 -0.002 0.000 0.809 1033 R CA 1.010 57.096 56.100 -0.023 0.000 2.974 1033 R CB -0.711 29.537 30.300 -0.087 0.000 1.162 1033 R HN 0.493 nan 8.270 nan 0.000 0.519 1034 A N 1.671 124.475 122.820 -0.026 0.000 2.390 1034 A HA 0.456 4.777 4.320 0.000 0.000 0.232 1034 A C 0.378 177.965 177.584 0.004 0.000 1.233 1034 A CA -0.158 51.873 52.037 -0.010 0.000 0.907 1034 A CB 0.401 19.375 19.000 -0.042 0.000 0.967 1034 A HN 0.117 nan 8.150 nan 0.000 0.512 1035 L N 0.800 122.024 121.223 0.001 0.000 2.342 1035 L HA 0.456 4.796 4.340 0.000 0.000 0.271 1035 L C -2.762 174.109 176.870 0.002 0.000 1.008 1035 L CA -2.434 52.405 54.840 -0.001 0.000 0.818 1035 L CB 2.710 44.762 42.059 -0.011 0.000 1.296 1035 L HN -0.033 nan 8.230 nan 0.000 0.427 1036 P HA 0.146 nan 4.420 nan 0.000 0.297 1036 P C -1.076 176.197 177.300 -0.045 0.000 1.319 1036 P CA -0.512 62.574 63.100 -0.024 0.000 0.810 1036 P CB 0.897 32.576 31.700 -0.035 0.000 0.947 1037 D N 2.248 122.616 120.400 -0.054 0.000 2.472 1037 D HA -0.069 4.571 4.640 0.000 0.000 0.237 1037 D C 1.042 177.282 176.300 -0.099 0.000 1.141 1037 D CA 0.177 54.127 54.000 -0.084 0.000 0.875 1037 D CB 1.479 42.222 40.800 -0.095 0.000 1.192 1037 D HN 0.034 nan 8.370 nan 0.000 0.450 1038 V N 5.122 124.968 119.914 -0.114 0.000 2.719 1038 V HA -0.151 3.969 4.120 0.000 0.000 0.252 1038 V C 2.220 178.266 176.094 -0.080 0.000 1.065 1038 V CA 1.436 63.676 62.300 -0.099 0.000 1.086 1038 V CB -0.191 31.552 31.823 -0.133 0.000 0.700 1038 V HN 0.505 nan 8.190 nan 0.000 0.467 1039 R N 1.030 121.449 120.500 -0.134 0.000 2.093 1039 R HA 0.006 4.346 4.340 0.000 0.000 0.224 1039 R C 1.306 177.521 176.300 -0.142 0.000 1.101 1039 R CA 1.473 57.473 56.100 -0.167 0.000 0.979 1039 R CB -0.244 29.764 30.300 -0.486 0.000 0.877 1039 R HN 0.701 nan 8.270 nan 0.000 0.441 1040 D N -1.117 119.166 120.400 -0.196 0.000 2.513 1040 D HA 0.082 4.722 4.640 0.000 0.000 0.222 1040 D C 0.625 176.832 176.300 -0.155 0.000 1.210 1040 D CA -0.011 53.883 54.000 -0.176 0.000 0.825 1040 D CB 0.229 40.923 40.800 -0.175 0.000 1.037 1040 D HN 0.169 nan 8.370 nan 0.000 0.506 1041 G N 1.291 110.014 108.800 -0.129 0.000 2.412 1041 G HA2 -0.259 3.701 3.960 0.000 0.000 0.297 1041 G HA3 -0.259 3.701 3.960 0.000 0.000 0.297 1041 G C -0.250 174.595 174.900 -0.092 0.000 0.965 1041 G CA 0.383 45.421 45.100 -0.103 0.000 1.134 1041 G HN 0.459 nan 8.290 nan 0.000 0.511 1042 L N -0.379 120.802 121.223 -0.071 0.000 2.349 1042 L HA 0.396 4.736 4.340 0.000 0.000 0.278 1042 L C 0.628 177.514 176.870 0.027 0.000 0.996 1042 L CA -0.959 53.864 54.840 -0.029 0.000 0.825 1042 L CB 1.565 43.622 42.059 -0.004 0.000 1.243 1042 L HN 0.136 nan 8.230 nan 0.000 0.412 1043 K N 3.920 124.377 120.400 0.096 0.000 2.258 1043 K HA 0.161 4.481 4.320 0.000 0.000 0.264 1043 K C -1.644 175.092 176.600 0.226 0.000 1.007 1043 K CA -1.385 55.017 56.287 0.191 0.000 0.941 1043 K CB 0.647 33.334 32.500 0.311 0.000 0.966 1043 K HN 0.235 nan 8.250 nan 0.000 0.480 1044 P HA -0.266 nan 4.420 nan 0.000 0.216 1044 P C 1.404 178.826 177.300 0.203 0.000 1.157 1044 P CA 0.894 64.090 63.100 0.160 0.000 0.880 1044 P CB 0.112 31.903 31.700 0.152 0.000 0.791 1045 V N -0.586 119.432 119.914 0.173 0.000 2.255 1045 V HA -0.332 3.788 4.120 0.000 0.000 0.247 1045 V C 2.010 178.063 176.094 -0.068 0.000 1.051 1045 V CA 2.295 64.578 62.300 -0.027 0.000 1.018 1045 V CB -1.345 30.330 31.823 -0.246 0.000 0.641 1045 V HN 0.132 nan 8.190 nan 0.000 0.445 1046 H N 0.597 119.699 119.070 0.053 0.000 2.265 1046 H HA -0.234 4.322 4.556 0.000 0.000 0.293 1046 H C 2.436 177.801 175.328 0.061 0.000 1.089 1046 H CA 2.710 58.788 56.048 0.051 0.000 1.244 1046 H CB -0.442 29.364 29.762 0.074 0.000 1.355 1046 H HN 0.475 nan 8.280 nan 0.000 0.485 1047 R N 1.120 121.737 120.500 0.196 0.000 2.127 1047 R HA -0.116 4.225 4.340 0.000 0.000 0.238 1047 R C 1.993 178.376 176.300 0.139 0.000 1.134 1047 R CA 1.494 57.669 56.100 0.124 0.000 0.975 1047 R CB -0.007 30.333 30.300 0.066 0.000 0.865 1047 R HN 0.268 nan 8.270 nan 0.000 0.447 1048 R N 0.021 120.623 120.500 0.170 0.000 2.100 1048 R HA 0.110 4.450 4.340 0.000 0.000 0.220 1048 R C 2.299 178.784 176.300 0.309 0.000 1.091 1048 R CA 1.195 57.444 56.100 0.249 0.000 0.986 1048 R CB -0.124 30.379 30.300 0.338 0.000 0.888 1048 R HN 0.235 nan 8.270 nan 0.000 0.444 1049 I N 0.795 121.477 120.570 0.187 0.000 2.076 1049 I HA -0.333 3.838 4.170 0.000 0.000 0.237 1049 I C 2.156 178.363 176.117 0.150 0.000 1.059 1049 I CA 1.340 62.725 61.300 0.143 0.000 1.317 1049 I CB -0.404 37.626 38.000 0.050 0.000 1.037 1049 I HN 0.170 nan 8.210 nan 0.000 0.398 1050 L N -0.230 121.072 121.223 0.131 0.000 2.034 1050 L HA -0.328 4.012 4.340 0.000 0.000 0.217 1050 L C 2.731 179.695 176.870 0.157 0.000 1.077 1050 L CA 2.236 57.148 54.840 0.120 0.000 0.769 1050 L CB -1.148 40.979 42.059 0.112 0.000 0.890 1050 L HN 0.349 nan 8.230 nan 0.000 0.435 1051 Y N 0.856 121.202 120.300 0.077 0.000 2.089 1051 Y HA -0.160 4.390 4.550 0.000 0.000 0.282 1051 Y C 2.461 178.456 175.900 0.160 0.000 1.139 1051 Y CA 1.724 59.869 58.100 0.074 0.000 1.123 1051 Y CB -0.772 37.678 38.460 -0.016 0.000 0.980 1051 Y HN 0.098 nan 8.280 nan 0.000 0.493 1052 G N -0.100 108.867 108.800 0.278 0.000 2.535 1052 G HA2 -0.175 3.785 3.960 0.000 0.000 0.218 1052 G HA3 -0.175 3.785 3.960 0.000 0.000 0.218 1052 G C 1.589 176.529 174.900 0.067 0.000 1.122 1052 G CA 0.860 46.118 45.100 0.264 0.000 0.769 1052 G HN 0.455 nan 8.290 nan 0.000 0.549 1053 L N -0.103 121.148 121.223 0.047 0.000 2.068 1053 L HA -0.045 4.295 4.340 0.000 0.000 0.204 1053 L C 2.753 179.601 176.870 -0.037 0.000 1.076 1053 L CA 0.991 55.841 54.840 0.017 0.000 0.753 1053 L CB -0.432 41.647 42.059 0.034 0.000 0.910 1053 L HN 0.287 nan 8.230 nan 0.000 0.439 1054 N N 0.152 118.802 118.700 -0.083 0.000 2.043 1054 N HA -0.246 4.494 4.740 0.000 0.000 0.193 1054 N C 1.666 177.077 175.510 -0.165 0.000 1.037 1054 N CA 1.398 54.375 53.050 -0.121 0.000 0.851 1054 N CB 0.072 38.480 38.487 -0.133 0.000 1.027 1054 N HN 0.287 nan 8.380 nan 0.000 0.422 1055 E N 0.060 120.084 120.200 -0.293 0.000 2.219 1055 E HA -0.174 4.176 4.350 0.000 0.000 0.198 1055 E C 1.431 177.981 176.600 -0.084 0.000 0.998 1055 E CA 0.954 57.231 56.400 -0.204 0.000 0.818 1055 E CB 0.021 29.599 29.700 -0.203 0.000 0.741 1055 E HN 0.500 nan 8.360 nan 0.000 0.477 1056 Q N -1.248 118.516 119.800 -0.061 0.000 2.356 1056 Q HA 0.094 4.434 4.340 0.000 0.000 0.205 1056 Q C 1.214 177.200 176.000 -0.023 0.000 0.901 1056 Q CA 0.683 56.469 55.803 -0.029 0.000 0.938 1056 Q CB 1.286 30.016 28.738 -0.013 0.000 1.081 1056 Q HN 0.402 nan 8.270 nan 0.000 0.517 1057 G N 1.106 109.888 108.800 -0.030 0.000 2.176 1057 G HA2 -0.242 3.718 3.960 0.000 0.000 0.253 1057 G HA3 -0.242 3.718 3.960 0.000 0.000 0.253 1057 G C 0.437 175.325 174.900 -0.021 0.000 0.979 1057 G CA 0.237 45.323 45.100 -0.024 0.000 0.641 1057 G HN 0.291 nan 8.290 nan 0.000 0.530 1058 M N 2.814 122.406 119.600 -0.015 0.000 3.596 1058 M HA 0.221 4.701 4.480 0.000 0.000 0.212 1058 M C 0.997 177.283 176.300 -0.024 0.000 1.519 1058 M CA 1.093 56.386 55.300 -0.010 0.000 1.670 1058 M CB -1.019 31.590 32.600 0.016 0.000 1.113 1058 M HN 0.452 nan 8.290 nan 0.000 0.565 1059 T N -2.504 112.028 114.554 -0.037 0.000 2.943 1059 T HA 0.434 4.784 4.350 0.000 0.000 0.284 1059 T C -2.074 172.584 174.700 -0.069 0.000 1.015 1059 T CA -1.860 60.217 62.100 -0.039 0.000 1.042 1059 T CB 1.906 70.759 68.868 -0.026 0.000 1.055 1059 T HN 0.080 nan 8.240 nan 0.000 0.500 1060 P HA -0.111 nan 4.420 nan 0.000 0.221 1060 P C 0.947 178.176 177.300 -0.118 0.000 1.141 1060 P CA 1.155 64.203 63.100 -0.088 0.000 0.794 1060 P CB 0.060 31.737 31.700 -0.039 0.000 0.764 1061 D N -1.750 118.595 120.400 -0.092 0.000 2.369 1061 D HA -0.002 4.639 4.640 0.000 0.000 0.231 1061 D C 0.599 176.839 176.300 -0.100 0.000 0.967 1061 D CA 0.470 54.418 54.000 -0.087 0.000 0.905 1061 D CB -0.366 40.403 40.800 -0.053 0.000 1.044 1061 D HN 0.095 nan 8.370 nan 0.000 0.487 1062 K N 1.526 121.873 120.400 -0.089 0.000 2.180 1062 K HA 0.211 4.531 4.320 0.000 0.000 0.251 1062 K C 0.646 177.176 176.600 -0.116 0.000 1.014 1062 K CA -0.309 55.932 56.287 -0.077 0.000 0.913 1062 K CB 0.858 33.329 32.500 -0.048 0.000 1.008 1062 K HN 0.172 nan 8.250 nan 0.000 0.490 1063 S N 0.438 116.094 115.700 -0.072 0.000 2.537 1063 S HA -0.137 4.333 4.470 0.000 0.000 0.280 1063 S C -0.080 174.478 174.600 -0.070 0.000 1.335 1063 S CA -0.137 58.030 58.200 -0.054 0.000 1.025 1063 S CB -0.073 63.136 63.200 0.015 0.000 0.836 1063 S HN 0.283 nan 8.310 nan 0.000 0.523 1064 Y N 1.079 121.385 120.300 0.010 0.000 2.550 1064 Y HA 0.419 4.969 4.550 0.000 0.000 0.343 1064 Y C 0.828 176.745 175.900 0.028 0.000 1.245 1064 Y CA 0.404 58.514 58.100 0.016 0.000 1.462 1064 Y CB 0.580 39.050 38.460 0.017 0.000 1.340 1064 Y HN 0.621 nan 8.280 nan 0.000 0.604 1065 K N 2.081 122.618 120.400 0.227 0.000 2.371 1065 K HA 0.322 4.642 4.320 0.000 0.000 0.251 1065 K C -1.107 175.582 176.600 0.148 0.000 0.934 1065 K CA -1.033 55.341 56.287 0.144 0.000 0.798 1065 K CB 1.118 33.676 32.500 0.097 0.000 1.204 1065 K HN 0.234 nan 8.250 nan 0.000 0.427 1066 K N 1.766 122.233 120.400 0.112 0.000 2.430 1066 K HA -0.001 4.319 4.320 0.000 0.000 0.280 1066 K C 0.562 177.233 176.600 0.119 0.000 1.063 1066 K CA 0.413 56.763 56.287 0.105 0.000 1.071 1066 K CB 0.219 32.756 32.500 0.062 0.000 0.899 1066 K HN 0.612 nan 8.250 nan 0.000 0.473 1067 S N 2.364 118.165 115.700 0.169 0.000 2.413 1067 S HA -0.248 4.223 4.470 0.000 0.000 0.237 1067 S C 1.599 176.277 174.600 0.131 0.000 1.044 1067 S CA 1.767 60.096 58.200 0.216 0.000 1.024 1067 S CB -0.029 63.392 63.200 0.367 0.000 0.829 1067 S HN 0.754 nan 8.310 nan 0.000 0.475 1068 A N 0.456 123.310 122.820 0.057 0.000 2.238 1068 A HA 0.113 4.434 4.320 0.000 0.000 0.208 1068 A C 1.946 179.541 177.584 0.020 0.000 1.177 1068 A CA 0.442 52.483 52.037 0.007 0.000 0.804 1068 A CB -0.219 18.757 19.000 -0.039 0.000 0.823 1068 A HN 0.396 nan 8.150 nan 0.000 0.482 1069 R N -0.280 120.244 120.500 0.040 0.000 2.103 1069 R HA 0.105 4.445 4.340 0.000 0.000 0.212 1069 R C 1.660 177.983 176.300 0.039 0.000 1.107 1069 R CA 0.925 57.044 56.100 0.031 0.000 1.025 1069 R CB -0.254 30.065 30.300 0.032 0.000 0.929 1069 R HN 0.448 nan 8.270 nan 0.000 0.456 1070 I N 0.864 121.472 120.570 0.063 0.000 2.118 1070 I HA -0.296 3.874 4.170 0.000 0.000 0.241 1070 I C 2.408 178.567 176.117 0.071 0.000 1.070 1070 I CA 1.280 62.623 61.300 0.071 0.000 1.327 1070 I CB -0.340 37.722 38.000 0.105 0.000 1.034 1070 I HN -0.019 nan 8.210 nan 0.000 0.405 1071 V N 0.960 120.928 119.914 0.090 0.000 2.307 1071 V HA -0.196 3.924 4.120 0.000 0.000 0.245 1071 V C 2.563 178.691 176.094 0.056 0.000 1.045 1071 V CA 2.239 64.590 62.300 0.086 0.000 1.024 1071 V CB -1.352 30.536 31.823 0.110 0.000 0.651 1071 V HN 0.596 nan 8.190 nan 0.000 0.449 1072 G N -0.347 108.475 108.800 0.037 0.000 2.501 1072 G HA2 -0.314 3.646 3.960 0.000 0.000 0.220 1072 G HA3 -0.314 3.646 3.960 0.000 0.000 0.220 1072 G C 1.196 176.106 174.900 0.016 0.000 1.114 1072 G CA 1.343 46.458 45.100 0.024 0.000 0.757 1072 G HN 0.699 nan 8.290 nan 0.000 0.559 1073 D N -1.491 118.912 120.400 0.004 0.000 2.454 1073 D HA 0.036 4.677 4.640 0.000 0.000 0.219 1073 D C 1.949 178.197 176.300 -0.088 0.000 1.081 1073 D CA -0.110 53.867 54.000 -0.038 0.000 0.867 1073 D CB 0.164 40.940 40.800 -0.040 0.000 1.054 1073 D HN 0.022 nan 8.370 nan 0.000 0.500 1074 V N 1.126 121.024 119.914 -0.027 0.000 3.573 1074 V HA 0.096 4.216 4.120 0.000 0.000 0.270 1074 V C 1.829 177.970 176.094 0.078 0.000 1.221 1074 V CA 1.182 63.476 62.300 -0.011 0.000 1.163 1074 V CB -0.340 31.543 31.823 0.099 0.000 0.847 1074 V HN 0.449 nan 8.190 nan 0.000 0.468 1075 M N -1.236 118.415 119.600 0.085 0.000 2.367 1075 M HA 0.285 4.765 4.480 0.000 0.000 0.256 1075 M C 1.619 178.028 176.300 0.182 0.000 1.091 1075 M CA 1.190 56.597 55.300 0.178 0.000 1.049 1075 M CB 0.320 33.011 32.600 0.151 0.000 1.406 1075 M HN 0.163 nan 8.290 nan 0.000 0.498 1076 G N 1.214 110.054 108.800 0.067 0.000 2.437 1076 G HA2 -0.011 3.949 3.960 0.000 0.000 0.212 1076 G HA3 -0.011 3.949 3.960 0.000 0.000 0.212 1076 G C 1.403 176.269 174.900 -0.056 0.000 1.174 1076 G CA 0.187 45.321 45.100 0.056 0.000 0.811 1076 G HN 0.416 nan 8.290 nan 0.000 0.537 1077 K N -0.872 119.370 120.400 -0.263 0.000 2.098 1077 K HA 0.104 4.424 4.320 0.000 0.000 0.203 1077 K C 1.806 178.197 176.600 -0.349 0.000 1.051 1077 K CA 1.069 57.062 56.287 -0.490 0.000 0.957 1077 K CB -0.012 31.947 32.500 -0.902 0.000 0.738 1077 K HN 0.438 nan 8.250 nan 0.000 0.447 1078 Y N -2.059 118.283 120.300 0.070 0.000 2.652 1078 Y HA 0.235 4.785 4.550 0.000 0.000 0.275 1078 Y C 0.276 176.376 175.900 0.333 0.000 1.133 1078 Y CA -0.480 57.698 58.100 0.130 0.000 1.246 1078 Y CB 0.036 38.610 38.460 0.190 0.000 1.334 1078 Y HN -0.037 nan 8.280 nan 0.000 0.493 1079 H N 3.350 122.684 119.070 0.441 0.000 2.708 1079 H HA 0.389 4.945 4.556 0.000 0.000 0.320 1079 H C -2.751 172.797 175.328 0.366 0.000 0.991 1079 H CA -2.505 53.799 56.048 0.427 0.000 1.243 1079 H CB 2.019 31.977 29.762 0.326 0.000 1.446 1079 H HN -0.186 nan 8.280 nan 0.000 0.502 1080 P HA 0.211 nan 4.420 nan 0.000 0.208 1080 P C -0.743 176.309 177.300 -0.413 0.000 1.863 1080 P CA 0.075 63.011 63.100 -0.274 0.000 1.037 1080 P CB 0.388 31.536 31.700 -0.921 0.000 1.881 1081 H N -0.315 118.819 119.070 0.106 0.000 4.229 1081 H HA 0.522 5.078 4.556 0.000 0.000 0.422 1081 H C 0.461 175.867 175.328 0.130 0.000 1.416 1081 H CA -0.594 55.525 56.048 0.119 0.000 0.985 1081 H CB 0.598 30.486 29.762 0.211 0.000 1.019 1081 H HN 0.164 nan 8.280 nan 0.000 0.780 1082 G N 0.253 109.231 108.800 0.297 0.000 2.437 1082 G HA2 0.143 4.103 3.960 0.000 0.000 0.319 1082 G HA3 0.143 4.103 3.960 0.000 0.000 0.319 1082 G C 0.481 175.463 174.900 0.136 0.000 1.158 1082 G CA -0.176 45.023 45.100 0.166 0.000 0.899 1082 G HN 0.670 nan 8.290 nan 0.000 0.502 1083 D N -0.383 120.071 120.400 0.090 0.000 2.162 1083 D HA -0.181 4.460 4.640 0.000 0.000 0.203 1083 D C 2.316 178.666 176.300 0.083 0.000 0.967 1083 D CA 1.439 55.483 54.000 0.073 0.000 0.840 1083 D CB -0.420 40.400 40.800 0.033 0.000 0.972 1083 D HN 0.436 nan 8.370 nan 0.000 0.482 1084 S N 1.135 116.880 115.700 0.074 0.000 2.383 1084 S HA -0.164 4.306 4.470 0.000 0.000 0.229 1084 S C 2.192 176.853 174.600 0.102 0.000 1.030 1084 S CA 1.480 59.736 58.200 0.093 0.000 1.002 1084 S CB -0.530 62.711 63.200 0.069 0.000 0.829 1084 S HN 0.228 nan 8.310 nan 0.000 0.467 1085 S N 2.080 117.825 115.700 0.075 0.000 2.371 1085 S HA 0.120 4.590 4.470 0.000 0.000 0.224 1085 S C 1.872 176.460 174.600 -0.020 0.000 1.029 1085 S CA 1.090 59.312 58.200 0.036 0.000 0.978 1085 S CB -0.432 62.796 63.200 0.047 0.000 0.833 1085 S HN 0.437 nan 8.310 nan 0.000 0.466 1086 I N 0.535 121.094 120.570 -0.017 0.000 2.142 1086 I HA -0.174 3.996 4.170 0.000 0.000 0.240 1086 I C 2.250 178.372 176.117 0.008 0.000 1.078 1086 I CA 1.639 62.896 61.300 -0.072 0.000 1.343 1086 I CB -1.059 36.937 38.000 -0.006 0.000 1.046 1086 I HN 0.279 nan 8.210 nan 0.000 0.405 1087 Y N 2.050 122.324 120.300 -0.044 0.000 2.060 1087 Y HA -0.257 4.293 4.550 0.000 0.000 0.276 1087 Y C 2.686 178.568 175.900 -0.031 0.000 1.127 1087 Y CA 1.943 60.025 58.100 -0.030 0.000 1.104 1087 Y CB -0.561 37.882 38.460 -0.028 0.000 0.983 1087 Y HN 0.161 nan 8.280 nan 0.000 0.483 1088 E N -0.180 120.042 120.200 0.036 0.000 2.233 1088 E HA -0.296 4.055 4.350 0.000 0.000 0.199 1088 E C 2.204 178.768 176.600 -0.060 0.000 1.004 1088 E CA 0.968 57.344 56.400 -0.039 0.000 0.819 1088 E CB -0.336 29.393 29.700 0.049 0.000 0.738 1088 E HN 0.589 nan 8.360 nan 0.000 0.478 1089 A N 0.971 123.742 122.820 -0.080 0.000 1.877 1089 A HA -0.220 4.100 4.320 0.000 0.000 0.216 1089 A C 2.123 179.639 177.584 -0.112 0.000 1.186 1089 A CA 1.621 53.572 52.037 -0.142 0.000 0.620 1089 A CB -0.485 18.341 19.000 -0.289 0.000 0.822 1089 A HN 0.302 nan 8.150 nan 0.000 0.443 1090 M N -0.441 119.074 119.600 -0.141 0.000 2.086 1090 M HA -0.110 4.370 4.480 0.000 0.000 0.261 1090 M C 1.894 178.135 176.300 -0.098 0.000 1.067 1090 M CA 1.939 57.171 55.300 -0.113 0.000 1.116 1090 M CB -0.196 32.339 32.600 -0.110 0.000 1.348 1090 M HN 0.159 nan 8.290 nan 0.000 0.407 1091 V N 0.759 120.535 119.914 -0.230 0.000 2.490 1091 V HA -0.256 3.864 4.120 0.000 0.000 0.250 1091 V C 2.454 178.554 176.094 0.011 0.000 1.061 1091 V CA 1.719 63.920 62.300 -0.165 0.000 1.064 1091 V CB -0.912 30.628 31.823 -0.471 0.000 0.670 1091 V HN 0.490 nan 8.190 nan 0.000 0.461 1092 R N 0.244 120.772 120.500 0.047 0.000 2.103 1092 R HA -0.161 4.180 4.340 0.000 0.000 0.242 1092 R C 1.897 178.350 176.300 0.255 0.000 1.142 1092 R CA 1.862 58.075 56.100 0.187 0.000 0.960 1092 R CB -0.377 30.100 30.300 0.295 0.000 0.858 1092 R HN 0.576 nan 8.270 nan 0.000 0.439 1093 M N -1.239 118.380 119.600 0.033 0.000 2.654 1093 M HA 0.257 4.737 4.480 0.000 0.000 0.217 1093 M C 1.164 177.339 176.300 -0.208 0.000 1.183 1093 M CA 0.331 55.361 55.300 -0.450 0.000 0.991 1093 M CB 0.673 32.698 32.600 -0.959 0.000 1.749 1093 M HN -0.024 nan 8.290 nan 0.000 0.475 1094 A N -0.201 122.592 122.820 -0.046 0.000 2.211 1094 A HA 0.237 4.557 4.320 0.000 0.000 0.208 1094 A C 0.784 178.308 177.584 -0.099 0.000 1.250 1094 A CA -0.147 51.855 52.037 -0.058 0.000 0.935 1094 A CB 0.359 19.388 19.000 0.048 0.000 0.982 1094 A HN 0.516 nan 8.150 nan 0.000 0.490 1095 Q N 1.275 120.987 119.800 -0.148 0.000 2.288 1095 Q HA 0.182 4.523 4.340 0.000 0.000 0.254 1095 Q C -0.147 175.626 176.000 -0.379 0.000 0.932 1095 Q CA 0.069 55.588 55.803 -0.473 0.000 0.902 1095 Q CB 0.965 29.136 28.738 -0.944 0.000 1.203 1095 Q HN 0.575 nan 8.270 nan 0.000 0.415 1096 D N 2.262 122.461 120.400 -0.335 0.000 2.355 1096 D HA -0.098 4.542 4.640 0.000 0.000 0.218 1096 D C 0.825 177.099 176.300 -0.043 0.000 1.004 1096 D CA 0.474 54.405 54.000 -0.116 0.000 0.880 1096 D CB 0.041 40.834 40.800 -0.012 0.000 0.911 1096 D HN 0.603 nan 8.370 nan 0.000 0.528 1097 F N -0.089 119.916 119.950 0.091 0.000 2.746 1097 F HA 0.388 4.916 4.527 0.000 0.000 0.297 1097 F C 1.814 177.735 175.800 0.201 0.000 1.113 1097 F CA -0.436 57.632 58.000 0.113 0.000 1.367 1097 F CB -0.020 39.053 39.000 0.123 0.000 1.111 1097 F HN -0.156 nan 8.300 nan 0.000 0.590 1098 S N -1.537 114.222 115.700 0.098 0.000 2.694 1098 S HA 0.139 4.609 4.470 0.000 0.000 0.225 1098 S C -0.313 174.320 174.600 0.056 0.000 1.012 1098 S CA -0.063 58.293 58.200 0.260 0.000 0.896 1098 S CB -0.433 62.875 63.200 0.180 0.000 0.838 1098 S HN 0.178 nan 8.310 nan 0.000 0.604 1099 Y N 3.088 123.361 120.300 -0.045 0.000 2.452 1099 Y HA 0.349 4.899 4.550 0.000 0.000 0.348 1099 Y C 1.352 177.157 175.900 -0.158 0.000 0.985 1099 Y CA -0.713 57.346 58.100 -0.069 0.000 1.214 1099 Y CB 0.692 39.137 38.460 -0.025 0.000 1.136 1099 Y HN 0.067 nan 8.280 nan 0.000 0.523 1100 R N 2.717 123.093 120.500 -0.206 0.000 2.094 1100 R HA -0.181 4.159 4.340 0.000 0.000 0.239 1100 R C -0.685 175.333 176.300 -0.471 0.000 1.137 1100 R CA 1.881 57.727 56.100 -0.424 0.000 0.943 1100 R CB -0.386 29.547 30.300 -0.611 0.000 0.850 1100 R HN 0.589 nan 8.270 nan 0.000 0.433 1101 Y N 0.651 120.996 120.300 0.076 0.000 2.842 1101 Y HA 0.428 4.978 4.550 0.000 0.000 0.334 1101 Y C -2.134 173.835 175.900 0.116 0.000 1.019 1101 Y CA -3.639 54.505 58.100 0.073 0.000 1.258 1101 Y CB 0.713 39.196 38.460 0.039 0.000 1.106 1101 Y HN 0.115 nan 8.280 nan 0.000 0.545 1102 P HA 0.076 nan 4.420 nan 0.000 0.266 1102 P C 0.492 177.800 177.300 0.013 0.000 1.195 1102 P CA 0.176 63.322 63.100 0.077 0.000 0.768 1102 P CB 1.074 32.787 31.700 0.021 0.000 0.838 1103 L N 1.088 122.232 121.223 -0.132 0.000 2.616 1103 L HA 0.198 4.538 4.340 0.000 0.000 0.229 1103 L C 0.260 177.086 176.870 -0.074 0.000 1.110 1103 L CA 0.125 54.915 54.840 -0.084 0.000 0.884 1103 L CB 0.215 42.194 42.059 -0.134 0.000 1.115 1103 L HN 0.117 nan 8.230 nan 0.000 0.481 1104 V N -0.234 119.622 119.914 -0.097 0.000 2.531 1104 V HA 0.290 4.410 4.120 0.000 0.000 0.301 1104 V C -0.732 175.326 176.094 -0.061 0.000 1.034 1104 V CA -0.769 61.496 62.300 -0.058 0.000 0.865 1104 V CB 2.531 34.324 31.823 -0.051 0.000 0.995 1104 V HN -0.054 nan 8.190 nan 0.000 0.424 1105 D N 3.346 123.741 120.400 -0.008 0.000 2.317 1105 D HA 0.406 5.047 4.640 0.000 0.000 0.252 1105 D C 0.305 176.592 176.300 -0.021 0.000 1.174 1105 D CA 0.319 54.340 54.000 0.035 0.000 0.866 1105 D CB 1.881 42.745 40.800 0.106 0.000 1.127 1105 D HN 0.726 nan 8.370 nan 0.000 0.467 1106 G N 2.465 111.108 108.800 -0.262 0.000 2.335 1106 G HA2 0.371 4.331 3.960 0.000 0.000 0.316 1106 G HA3 0.371 4.331 3.960 0.000 0.000 0.316 1106 G C -0.463 174.019 174.900 -0.696 0.000 1.129 1106 G CA -0.516 44.116 45.100 -0.780 0.000 0.899 1106 G HN 0.379 nan 8.290 nan 0.000 0.448 1107 Q N 2.102 121.374 119.800 -0.879 0.000 2.523 1107 Q HA 0.603 4.944 4.340 0.000 0.000 0.251 1107 Q C 0.249 176.112 176.000 -0.229 0.000 1.033 1107 Q CA 0.256 55.634 55.803 -0.710 0.000 0.746 1107 Q CB 0.677 28.625 28.738 -1.316 0.000 1.189 1107 Q HN 1.201 nan 8.270 nan 0.000 0.508 1108 G N 2.482 111.249 108.800 -0.055 0.000 2.278 1108 G HA2 -0.100 3.860 3.960 0.000 0.000 0.265 1108 G HA3 -0.100 3.860 3.960 0.000 0.000 0.265 1108 G C -1.469 173.586 174.900 0.258 0.000 1.329 1108 G CA -0.712 44.480 45.100 0.153 0.000 1.017 1108 G HN 0.565 nan 8.290 nan 0.000 0.472 1109 N N 0.237 119.078 118.700 0.235 0.000 2.439 1109 N HA 0.524 5.264 4.740 0.000 0.000 0.243 1109 N C -0.742 174.911 175.510 0.239 0.000 1.088 1109 N CA -0.339 52.823 53.050 0.186 0.000 0.940 1109 N CB -0.219 38.293 38.487 0.042 0.000 1.180 1109 N HN 0.332 nan 8.380 nan 0.000 0.505 1110 F N 3.094 123.072 119.950 0.048 0.000 2.848 1110 F HA 0.475 5.002 4.527 0.000 0.000 0.321 1110 F C 1.270 177.137 175.800 0.112 0.000 1.281 1110 F CA 0.107 58.135 58.000 0.046 0.000 1.209 1110 F CB 0.097 39.089 39.000 -0.013 0.000 1.152 1110 F HN 0.675 nan 8.300 nan 0.000 0.521 1111 G N 0.811 109.732 108.800 0.202 0.000 2.728 1111 G HA2 0.175 4.135 3.960 0.000 0.000 0.294 1111 G HA3 0.175 4.135 3.960 0.000 0.000 0.294 1111 G C -0.726 174.392 174.900 0.364 0.000 1.342 1111 G CA -0.570 44.696 45.100 0.276 0.000 0.866 1111 G HN 1.068 nan 8.290 nan 0.000 0.534 1112 S N -2.050 113.816 115.700 0.277 0.000 2.579 1112 S HA 0.522 4.992 4.470 0.000 0.000 0.290 1112 S C 0.945 175.273 174.600 -0.454 0.000 1.123 1112 S CA 0.325 58.489 58.200 -0.061 0.000 0.894 1112 S CB 1.252 64.444 63.200 -0.014 0.000 1.095 1112 S HN 1.103 nan 8.310 nan 0.000 0.450 1113 M N 1.241 120.327 119.600 -0.856 0.000 2.146 1113 M HA -0.210 4.270 4.480 0.000 0.000 0.256 1113 M C 0.854 176.966 176.300 -0.314 0.000 1.075 1113 M CA 2.112 56.991 55.300 -0.702 0.000 1.082 1113 M CB -1.112 31.192 32.600 -0.493 0.000 1.355 1113 M HN 0.785 nan 8.290 nan 0.000 0.402 1114 D N 0.055 120.330 120.400 -0.209 0.000 2.411 1114 D HA 0.012 4.652 4.640 0.000 0.000 0.226 1114 D C 1.288 177.535 176.300 -0.088 0.000 0.988 1114 D CA 1.226 55.156 54.000 -0.117 0.000 0.938 1114 D CB -0.290 40.462 40.800 -0.079 0.000 0.883 1114 D HN 0.651 nan 8.370 nan 0.000 0.525 1115 G N 0.355 109.095 108.800 -0.100 0.000 2.148 1115 G HA2 -0.268 3.692 3.960 0.000 0.000 0.254 1115 G HA3 -0.268 3.692 3.960 0.000 0.000 0.254 1115 G C -0.118 174.777 174.900 -0.009 0.000 0.981 1115 G CA -0.019 45.055 45.100 -0.042 0.000 0.670 1115 G HN 0.245 nan 8.290 nan 0.000 0.528 1116 D N 0.429 120.822 120.400 -0.012 0.000 2.360 1116 D HA 0.492 5.132 4.640 0.000 0.000 0.242 1116 D C 1.174 177.494 176.300 0.034 0.000 1.184 1116 D CA 0.952 54.955 54.000 0.006 0.000 0.930 1116 D CB 0.750 41.548 40.800 -0.002 0.000 1.161 1116 D HN 0.420 nan 8.370 nan 0.000 0.447 1117 G N -0.898 107.920 108.800 0.030 0.000 2.504 1117 G HA2 0.530 4.491 3.960 0.000 0.000 0.288 1117 G HA3 0.530 4.491 3.960 0.000 0.000 0.288 1117 G C -0.215 174.705 174.900 0.034 0.000 1.182 1117 G CA -0.322 44.803 45.100 0.042 0.000 0.894 1117 G HN 0.520 nan 8.290 nan 0.000 0.521 1118 A N -0.074 122.762 122.820 0.027 0.000 2.310 1118 A HA 0.730 5.050 4.320 0.000 0.000 0.260 1118 A C 1.027 178.605 177.584 -0.010 0.000 1.112 1118 A CA 0.384 52.404 52.037 -0.027 0.000 0.804 1118 A CB 0.017 18.913 19.000 -0.173 0.000 1.081 1118 A HN 1.711 nan 8.150 nan 0.000 0.499 1119 A N -0.463 122.330 122.820 -0.046 0.000 2.280 1119 A HA 0.618 4.938 4.320 0.000 0.000 0.268 1119 A C 0.957 178.571 177.584 0.049 0.000 1.111 1119 A CA 0.077 52.086 52.037 -0.047 0.000 0.814 1119 A CB -0.553 18.377 19.000 -0.117 0.000 1.093 1119 A HN 2.295 nan 8.150 nan 0.000 0.498 1120 A N 0.187 123.101 122.820 0.156 0.000 2.536 1120 A HA 0.300 4.620 4.320 0.000 0.000 0.234 1120 A C 1.274 178.808 177.584 -0.082 0.000 1.076 1120 A CA 0.710 52.806 52.037 0.099 0.000 0.769 1120 A CB -0.342 18.829 19.000 0.286 0.000 1.020 1120 A HN 1.468 nan 8.150 nan 0.000 0.508 1121 M N 0.911 120.238 119.600 -0.456 0.000 2.558 1121 M HA 0.022 4.502 4.480 0.000 0.000 0.255 1121 M C 1.397 177.600 176.300 -0.162 0.000 1.113 1121 M CA 1.573 56.529 55.300 -0.572 0.000 1.097 1121 M CB -0.263 31.706 32.600 -1.053 0.000 1.426 1121 M HN 0.774 nan 8.290 nan 0.000 0.488 1122 R N -0.857 119.558 120.500 -0.142 0.000 2.334 1122 R HA 0.250 4.590 4.340 0.000 0.000 0.220 1122 R C 0.270 176.431 176.300 -0.232 0.000 0.917 1122 R CA 0.229 56.227 56.100 -0.170 0.000 1.073 1122 R CB -0.362 29.800 30.300 -0.230 0.000 1.056 1122 R HN 0.339 nan 8.270 nan 0.000 0.506 1123 F N 0.581 120.514 119.950 -0.029 0.000 2.515 1123 F HA 0.146 4.673 4.527 0.000 0.000 0.267 1123 F C 1.600 177.429 175.800 0.049 0.000 0.923 1123 F CA 0.524 58.529 58.000 0.008 0.000 1.107 1123 F CB -0.254 38.750 39.000 0.006 0.000 1.175 1123 F HN 0.028 nan 8.300 nan 0.000 0.742 1124 T N 0.394 115.140 114.554 0.320 0.000 2.619 1124 T HA 0.304 4.654 4.350 0.000 0.000 0.330 1124 T C -0.473 174.388 174.700 0.269 0.000 1.037 1124 T CA -0.413 61.874 62.100 0.311 0.000 1.005 1124 T CB 0.749 69.889 68.868 0.453 0.000 1.084 1124 T HN 0.463 nan 8.240 nan 0.000 0.521 1125 E N -0.989 119.372 120.200 0.268 0.000 2.407 1125 E HA 0.655 5.005 4.350 0.000 0.000 0.279 1125 E C -1.095 175.575 176.600 0.115 0.000 1.012 1125 E CA -1.479 55.032 56.400 0.186 0.000 0.800 1125 E CB 1.292 31.064 29.700 0.119 0.000 1.276 1125 E HN 0.973 nan 8.360 nan 0.000 0.452 1126 A N 0.966 123.926 122.820 0.233 0.000 2.594 1126 A HA 0.939 5.259 4.320 0.000 0.000 0.307 1126 A C -1.348 176.433 177.584 0.329 0.000 1.203 1126 A CA -0.417 51.801 52.037 0.302 0.000 0.644 1126 A CB 1.530 20.614 19.000 0.141 0.000 1.349 1126 A HN 0.921 nan 8.150 nan 0.000 0.510 1127 R N -1.266 119.359 120.500 0.209 0.000 2.780 1127 R HA 0.557 4.897 4.340 0.000 0.000 0.280 1127 R C -0.951 175.366 176.300 0.029 0.000 1.016 1127 R CA -0.910 55.230 56.100 0.067 0.000 0.854 1127 R CB 0.306 30.571 30.300 -0.058 0.000 1.293 1127 R HN 0.641 nan 8.270 nan 0.000 0.483 1128 M N 1.347 120.947 119.600 0.001 0.000 2.184 1128 M HA 0.140 4.620 4.480 0.000 0.000 0.296 1128 M C 0.624 176.919 176.300 -0.008 0.000 1.165 1128 M CA 0.680 55.981 55.300 0.002 0.000 1.175 1128 M CB 0.640 33.243 32.600 0.005 0.000 1.392 1128 M HN 0.879 nan 8.290 nan 0.000 0.457 1129 T N -2.007 112.551 114.554 0.007 0.000 2.889 1129 T HA 0.389 4.740 4.350 0.000 0.000 0.278 1129 T C 0.705 175.426 174.700 0.035 0.000 0.995 1129 T CA -0.881 61.229 62.100 0.015 0.000 0.966 1129 T CB 1.213 70.097 68.868 0.027 0.000 1.237 1129 T HN 0.617 nan 8.240 nan 0.000 0.591 1130 K N -0.498 119.940 120.400 0.065 0.000 2.057 1130 K HA 0.057 4.377 4.320 0.000 0.000 0.206 1130 K C 2.023 178.714 176.600 0.151 0.000 1.050 1130 K CA 1.127 57.484 56.287 0.118 0.000 0.935 1130 K CB -0.437 32.154 32.500 0.151 0.000 0.715 1130 K HN 0.513 nan 8.250 nan 0.000 0.439 1131 I N 1.108 121.729 120.570 0.085 0.000 2.676 1131 I HA -0.176 3.994 4.170 0.000 0.000 0.259 1131 I C 1.721 177.763 176.117 -0.125 0.000 1.194 1131 I CA 1.482 62.608 61.300 -0.291 0.000 1.473 1131 I CB -0.060 37.684 38.000 -0.427 0.000 1.096 1131 I HN 0.015 nan 8.210 nan 0.000 0.443 1132 T N 0.673 115.244 114.554 0.027 0.000 2.962 1132 T HA -0.007 4.343 4.350 0.000 0.000 0.270 1132 T C 1.734 176.488 174.700 0.090 0.000 1.088 1132 T CA 1.119 63.272 62.100 0.088 0.000 1.127 1132 T CB -0.213 68.688 68.868 0.055 0.000 0.883 1132 T HN 0.322 nan 8.240 nan 0.000 0.493 1133 L N 0.430 121.694 121.223 0.068 0.000 2.395 1133 L HA 0.084 4.425 4.340 0.000 0.000 0.218 1133 L C 2.436 179.358 176.870 0.086 0.000 1.130 1133 L CA 0.693 55.575 54.840 0.070 0.000 0.826 1133 L CB -0.187 41.910 42.059 0.063 0.000 0.941 1133 L HN 0.121 nan 8.230 nan 0.000 0.451 1134 E N 0.152 120.409 120.200 0.094 0.000 2.358 1134 E HA -0.037 4.313 4.350 0.000 0.000 0.195 1134 E C 2.199 178.921 176.600 0.203 0.000 1.010 1134 E CA 0.652 57.131 56.400 0.132 0.000 0.856 1134 E CB 0.259 29.980 29.700 0.035 0.000 0.795 1134 E HN 0.506 nan 8.360 nan 0.000 0.504 1135 L N -0.172 121.175 121.223 0.206 0.000 2.341 1135 L HA 0.017 4.357 4.340 0.000 0.000 0.214 1135 L C 1.990 178.896 176.870 0.060 0.000 1.115 1135 L CA 0.394 55.277 54.840 0.072 0.000 0.820 1135 L CB 0.057 42.110 42.059 -0.011 0.000 0.944 1135 L HN 0.062 nan 8.230 nan 0.000 0.452 1136 L N -1.136 120.133 121.223 0.077 0.000 2.585 1136 L HA 0.113 4.454 4.340 0.000 0.000 0.226 1136 L C 1.253 178.158 176.870 0.060 0.000 1.113 1136 L CA -0.052 54.831 54.840 0.072 0.000 0.876 1136 L CB 0.071 42.177 42.059 0.078 0.000 1.072 1136 L HN 0.062 nan 8.230 nan 0.000 0.468 1137 R N 1.610 122.146 120.500 0.060 0.000 2.449 1137 R HA -0.024 4.316 4.340 0.000 0.000 0.296 1137 R C -0.556 175.760 176.300 0.026 0.000 1.047 1137 R CA 0.519 56.647 56.100 0.047 0.000 1.018 1137 R CB 0.104 30.438 30.300 0.056 0.000 0.962 1137 R HN 0.179 nan 8.270 nan 0.000 0.428 1138 D N 3.538 123.946 120.400 0.013 0.000 2.832 1138 D HA -0.194 4.446 4.640 0.000 0.000 0.235 1138 D C 0.114 176.389 176.300 -0.042 0.000 1.081 1138 D CA 0.595 54.584 54.000 -0.018 0.000 0.744 1138 D CB -0.978 39.808 40.800 -0.023 0.000 1.086 1138 D HN 0.644 nan 8.370 nan 0.000 0.438 1139 I N -0.381 120.181 120.570 -0.014 0.000 4.181 1139 I HA 0.001 4.171 4.170 0.000 0.000 0.331 1139 I C 0.737 176.870 176.117 0.027 0.000 1.312 1139 I CA 0.101 61.400 61.300 -0.003 0.000 1.146 1139 I CB 0.345 38.387 38.000 0.070 0.000 1.074 1139 I HN -0.077 nan 8.210 nan 0.000 0.402 1140 N N 2.000 120.695 118.700 -0.008 0.000 2.279 1140 N HA 0.127 4.867 4.740 0.000 0.000 0.226 1140 N C -0.112 175.183 175.510 -0.359 0.000 1.126 1140 N CA 0.136 53.163 53.050 -0.038 0.000 0.846 1140 N CB 0.406 38.908 38.487 0.024 0.000 1.050 1140 N HN 0.310 nan 8.380 nan 0.000 0.502 1141 K N 0.731 120.849 120.400 -0.471 0.000 2.832 1141 K HA 0.067 4.387 4.320 0.000 0.000 0.211 1141 K C -0.298 175.911 176.600 -0.652 0.000 1.112 1141 K CA -0.459 55.242 56.287 -0.976 0.000 1.108 1141 K CB 0.239 32.503 32.500 -0.393 0.000 0.899 1141 K HN -0.150 nan 8.250 nan 0.000 0.464 1142 D N 2.709 122.858 120.400 -0.419 0.000 2.894 1142 D HA -0.156 4.484 4.640 0.000 0.000 0.216 1142 D C 0.447 176.682 176.300 -0.109 0.000 1.245 1142 D CA 1.178 55.098 54.000 -0.133 0.000 0.728 1142 D CB -0.696 40.118 40.800 0.023 0.000 0.924 1142 D HN 0.552 nan 8.370 nan 0.000 0.395 1143 T N -1.336 113.132 114.554 -0.143 0.000 3.044 1143 T HA 0.415 4.765 4.350 0.000 0.000 0.260 1143 T C 0.791 175.405 174.700 -0.144 0.000 1.019 1143 T CA 0.161 62.182 62.100 -0.131 0.000 0.921 1143 T CB -0.042 68.744 68.868 -0.136 0.000 1.053 1143 T HN 0.375 nan 8.240 nan 0.000 0.533 1144 I N -2.837 117.627 120.570 -0.176 0.000 2.842 1144 I HA 0.619 4.789 4.170 0.000 0.000 0.297 1144 I C -1.929 174.028 176.117 -0.267 0.000 1.380 1144 I CA -1.390 59.789 61.300 -0.201 0.000 1.018 1144 I CB 1.393 39.248 38.000 -0.242 0.000 1.311 1144 I HN -0.288 nan 8.210 nan 0.000 0.439 1145 D N 3.567 123.849 120.400 -0.197 0.000 2.308 1145 D HA 0.346 4.986 4.640 0.000 0.000 0.251 1145 D C -0.945 175.224 176.300 -0.218 0.000 1.127 1145 D CA 0.487 54.404 54.000 -0.139 0.000 0.876 1145 D CB 0.887 41.652 40.800 -0.059 0.000 1.176 1145 D HN 0.391 nan 8.370 nan 0.000 0.446 1146 F N 2.220 122.130 119.950 -0.066 0.000 2.411 1146 F HA 0.265 4.792 4.527 0.000 0.000 0.355 1146 F C 1.015 176.773 175.800 -0.069 0.000 1.117 1146 F CA -0.827 57.118 58.000 -0.091 0.000 1.139 1146 F CB 0.519 39.468 39.000 -0.084 0.000 1.120 1146 F HN 0.143 nan 8.300 nan 0.000 0.493 1147 I N -0.368 120.261 120.570 0.099 0.000 2.783 1147 I HA 0.457 4.627 4.170 0.000 0.000 0.312 1147 I C 0.044 176.198 176.117 0.063 0.000 0.988 1147 I CA -1.057 60.282 61.300 0.064 0.000 1.182 1147 I CB 0.805 38.824 38.000 0.032 0.000 1.368 1147 I HN 0.345 nan 8.210 nan 0.000 0.511 1148 D N 2.232 122.664 120.400 0.053 0.000 2.371 1148 D HA 0.082 4.722 4.640 0.000 0.000 0.242 1148 D C -0.137 176.197 176.300 0.056 0.000 1.218 1148 D CA 0.120 54.147 54.000 0.046 0.000 0.945 1148 D CB 0.745 41.575 40.800 0.051 0.000 1.137 1148 D HN 0.696 nan 8.370 nan 0.000 0.464 1149 N N -0.741 117.989 118.700 0.050 0.000 2.593 1149 N HA -0.028 4.712 4.740 0.000 0.000 0.304 1149 N C 0.868 176.438 175.510 0.100 0.000 1.296 1149 N CA -0.310 52.773 53.050 0.056 0.000 0.950 1149 N CB -0.589 37.900 38.487 0.004 0.000 1.127 1149 N HN 0.611 nan 8.380 nan 0.000 0.587 1150 Y N -2.768 117.620 120.300 0.147 0.000 2.574 1150 Y HA 0.104 4.654 4.550 0.000 0.000 0.294 1150 Y C -0.020 175.995 175.900 0.192 0.000 1.142 1150 Y CA 0.925 59.117 58.100 0.153 0.000 1.314 1150 Y CB -0.232 38.286 38.460 0.096 0.000 0.991 1150 Y HN 0.550 nan 8.280 nan 0.000 0.555 1151 D N -1.632 118.883 120.400 0.191 0.000 2.562 1151 D HA 0.178 4.818 4.640 0.000 0.000 0.246 1151 D C 1.449 177.819 176.300 0.116 0.000 1.347 1151 D CA 0.059 54.195 54.000 0.227 0.000 0.800 1151 D CB 0.160 41.108 40.800 0.248 0.000 1.111 1151 D HN 0.347 nan 8.370 nan 0.000 0.508 1152 G N 0.748 109.594 108.800 0.078 0.000 2.184 1152 G HA2 -0.368 3.592 3.960 0.000 0.000 0.264 1152 G HA3 -0.368 3.592 3.960 0.000 0.000 0.264 1152 G C 0.892 175.801 174.900 0.016 0.000 0.975 1152 G CA 0.447 45.588 45.100 0.067 0.000 0.642 1152 G HN 0.369 nan 8.290 nan 0.000 0.536 1153 N N 1.002 119.698 118.700 -0.006 0.000 2.299 1153 N HA 0.237 4.977 4.740 0.000 0.000 0.187 1153 N C 0.841 176.338 175.510 -0.022 0.000 1.099 1153 N CA 1.245 54.283 53.050 -0.020 0.000 0.867 1153 N CB 0.274 38.747 38.487 -0.023 0.000 0.974 1153 N HN 0.867 nan 8.380 nan 0.000 0.477 1154 E N -0.982 119.212 120.200 -0.009 0.000 2.415 1154 E HA 0.395 4.745 4.350 0.000 0.000 0.271 1154 E C -1.087 175.534 176.600 0.036 0.000 1.094 1154 E CA -0.849 55.566 56.400 0.026 0.000 0.881 1154 E CB 1.443 31.197 29.700 0.091 0.000 1.581 1154 E HN -0.211 nan 8.360 nan 0.000 0.460 1155 R N 1.357 121.874 120.500 0.029 0.000 2.451 1155 R HA 0.314 4.655 4.340 0.000 0.000 0.307 1155 R C -0.600 175.659 176.300 -0.069 0.000 0.965 1155 R CA -0.462 55.621 56.100 -0.030 0.000 0.865 1155 R CB 1.969 32.176 30.300 -0.155 0.000 1.174 1155 R HN 0.652 nan 8.270 nan 0.000 0.455 1156 E N 3.127 123.254 120.200 -0.122 0.000 2.267 1156 E HA 0.604 4.954 4.350 0.000 0.000 0.258 1156 E C -2.470 174.001 176.600 -0.215 0.000 1.074 1156 E CA -2.147 54.014 56.400 -0.397 0.000 0.915 1156 E CB 0.820 30.276 29.700 -0.407 0.000 1.186 1156 E HN 0.120 nan 8.360 nan 0.000 0.439 1157 P HA 0.125 nan 4.420 nan 0.000 0.287 1157 P C -0.228 176.914 177.300 -0.263 0.000 1.279 1157 P CA -0.726 62.107 63.100 -0.445 0.000 0.867 1157 P CB 1.473 32.838 31.700 -0.558 0.000 1.127 1158 S N -0.408 115.159 115.700 -0.220 0.000 2.524 1158 S HA 0.301 4.771 4.470 0.000 0.000 0.216 1158 S C 0.465 174.988 174.600 -0.128 0.000 0.987 1158 S CA -0.005 58.116 58.200 -0.132 0.000 0.909 1158 S CB -0.239 62.902 63.200 -0.099 0.000 0.781 1158 S HN 0.420 nan 8.310 nan 0.000 0.521 1159 V N 0.888 120.704 119.914 -0.162 0.000 2.971 1159 V HA 0.370 4.491 4.120 0.000 0.000 0.281 1159 V C -1.940 174.080 176.094 -0.123 0.000 1.470 1159 V CA -1.085 61.133 62.300 -0.136 0.000 0.966 1159 V CB 1.673 33.414 31.823 -0.137 0.000 1.156 1159 V HN 0.377 nan 8.190 nan 0.000 0.441 1160 L N 7.121 128.293 121.223 -0.084 0.000 2.350 1160 L HA 0.446 4.786 4.340 0.000 0.000 0.275 1160 L C -1.395 175.517 176.870 0.071 0.000 1.099 1160 L CA -1.653 53.167 54.840 -0.034 0.000 0.808 1160 L CB 1.512 43.562 42.059 -0.015 0.000 1.149 1160 L HN 0.470 nan 8.230 nan 0.000 0.442 1161 P HA -0.277 nan 4.420 nan 0.000 0.218 1161 P C 0.442 177.851 177.300 0.181 0.000 1.150 1161 P CA 1.570 64.730 63.100 0.099 0.000 0.841 1161 P CB 0.074 31.776 31.700 0.004 0.000 0.784 1162 A N -1.347 121.533 122.820 0.099 0.000 2.183 1162 A HA -0.234 4.086 4.320 0.000 0.000 0.278 1162 A C 1.257 178.923 177.584 0.137 0.000 1.404 1162 A CA 0.500 52.561 52.037 0.040 0.000 0.737 1162 A CB -1.445 17.589 19.000 0.056 0.000 1.172 1162 A HN 0.116 nan 8.150 nan 0.000 0.338 1163 R N -0.469 120.108 120.500 0.128 0.000 2.280 1163 R HA 0.121 4.461 4.340 0.000 0.000 0.207 1163 R C 0.590 177.102 176.300 0.354 0.000 1.043 1163 R CA 1.615 57.840 56.100 0.208 0.000 1.006 1163 R CB -0.879 29.524 30.300 0.171 0.000 0.885 1163 R HN 1.055 nan 8.270 nan 0.000 0.467 1164 F N -2.112 117.899 119.950 0.100 0.000 2.603 1164 F HA 0.583 5.110 4.527 0.000 0.000 0.317 1164 F C -2.537 173.124 175.800 -0.232 0.000 1.066 1164 F CA -3.455 54.541 58.000 -0.006 0.000 0.941 1164 F CB 1.375 40.284 39.000 -0.152 0.000 1.291 1164 F HN -0.334 nan 8.300 nan 0.000 0.472 1165 P HA 0.096 nan 4.420 nan 0.000 0.238 1165 P C 0.084 177.110 177.300 -0.458 0.000 1.729 1165 P CA 0.486 63.010 63.100 -0.960 0.000 1.055 1165 P CB -0.138 31.102 31.700 -0.765 0.000 1.980 1166 N N 1.530 119.918 118.700 -0.520 0.000 2.192 1166 N HA -0.210 4.530 4.740 0.000 0.000 0.188 1166 N C 1.434 176.860 175.510 -0.140 0.000 1.013 1166 N CA 0.979 53.831 53.050 -0.330 0.000 0.863 1166 N CB -0.460 37.788 38.487 -0.397 0.000 0.990 1166 N HN 0.114 nan 8.380 nan 0.000 0.430 1167 L N 0.111 121.233 121.223 -0.169 0.000 1.994 1167 L HA -0.061 4.279 4.340 0.000 0.000 0.208 1167 L C 1.750 178.602 176.870 -0.029 0.000 1.071 1167 L CA 1.653 56.438 54.840 -0.092 0.000 0.745 1167 L CB -0.554 41.449 42.059 -0.093 0.000 0.892 1167 L HN 0.271 nan 8.230 nan 0.000 0.431 1168 L N -0.750 120.459 121.223 -0.023 0.000 2.095 1168 L HA 0.042 4.382 4.340 0.000 0.000 0.204 1168 L C 2.684 179.663 176.870 0.183 0.000 1.080 1168 L CA 1.075 55.982 54.840 0.111 0.000 0.759 1168 L CB -1.204 40.856 42.059 0.001 0.000 0.914 1168 L HN 0.264 nan 8.230 nan 0.000 0.439 1169 A N 0.105 122.996 122.820 0.119 0.000 1.917 1169 A HA -0.217 4.103 4.320 0.000 0.000 0.219 1169 A C 2.146 179.810 177.584 0.133 0.000 1.182 1169 A CA 2.184 54.352 52.037 0.217 0.000 0.633 1169 A CB -0.476 18.715 19.000 0.319 0.000 0.819 1169 A HN 0.490 nan 8.150 nan 0.000 0.448 1170 N N -1.398 117.346 118.700 0.073 0.000 2.294 1170 N HA 0.234 4.974 4.740 0.000 0.000 0.186 1170 N C 0.951 176.368 175.510 -0.155 0.000 1.107 1170 N CA 0.969 53.998 53.050 -0.036 0.000 0.884 1170 N CB 0.632 39.162 38.487 0.072 0.000 1.030 1170 N HN 0.625 nan 8.380 nan 0.000 0.482 1171 G N 0.892 109.647 108.800 -0.076 0.000 2.804 1171 G HA2 0.082 4.042 3.960 0.000 0.000 0.230 1171 G HA3 0.082 4.042 3.960 0.000 0.000 0.230 1171 G C -0.851 174.015 174.900 -0.058 0.000 1.386 1171 G CA -0.264 44.812 45.100 -0.040 0.000 0.875 1171 G HN 0.564 nan 8.290 nan 0.000 0.557 1172 A N -1.076 121.753 122.820 0.016 0.000 2.577 1172 A HA 1.001 5.321 4.320 0.000 0.000 0.297 1172 A C -0.131 177.491 177.584 0.063 0.000 1.060 1172 A CA 0.894 52.929 52.037 -0.003 0.000 0.697 1172 A CB 1.192 20.174 19.000 -0.031 0.000 1.281 1172 A HN 2.610 nan 8.150 nan 0.000 0.402 1173 S N 0.435 116.168 115.700 0.056 0.000 2.548 1173 S HA 0.953 5.423 4.470 0.000 0.000 0.286 1173 S C -0.270 174.353 174.600 0.038 0.000 1.098 1173 S CA -0.130 58.102 58.200 0.053 0.000 0.930 1173 S CB 1.834 65.074 63.200 0.067 0.000 1.070 1173 S HN 2.462 nan 8.310 nan 0.000 0.480 1174 G N 1.391 110.203 108.800 0.020 0.000 2.752 1174 G HA2 0.507 4.467 3.960 0.000 0.000 0.298 1174 G HA3 0.507 4.467 3.960 0.000 0.000 0.298 1174 G C -1.368 173.534 174.900 0.004 0.000 1.434 1174 G CA -0.879 44.233 45.100 0.019 0.000 1.004 1174 G HN 0.843 nan 8.290 nan 0.000 0.560 1175 I N 2.443 123.015 120.570 0.003 0.000 2.297 1175 I HA 0.483 4.653 4.170 0.000 0.000 0.291 1175 I C 1.028 177.135 176.117 -0.016 0.000 1.033 1175 I CA -0.458 60.841 61.300 -0.002 0.000 1.253 1175 I CB 1.246 39.249 38.000 0.005 0.000 1.396 1175 I HN 0.632 nan 8.210 nan 0.000 0.476 1176 A N 6.576 129.384 122.820 -0.020 0.000 2.710 1176 A HA 0.684 5.005 4.320 0.000 0.000 0.253 1176 A C -0.118 177.440 177.584 -0.043 0.000 1.658 1176 A CA -0.399 51.610 52.037 -0.047 0.000 0.851 1176 A CB 0.567 19.546 19.000 -0.036 0.000 1.658 1176 A HN 0.407 nan 8.150 nan 0.000 0.585 1177 V N -0.149 119.726 119.914 -0.065 0.000 2.357 1177 V HA 0.548 4.668 4.120 0.000 0.000 0.284 1177 V C 1.032 177.145 176.094 0.031 0.000 1.018 1177 V CA 0.947 63.233 62.300 -0.022 0.000 0.841 1177 V CB 0.210 31.961 31.823 -0.120 0.000 0.991 1177 V HN 1.874 nan 8.190 nan 0.000 0.437 1178 G N 4.989 113.833 108.800 0.072 0.000 2.176 1178 G HA2 -0.217 3.743 3.960 0.000 0.000 0.253 1178 G HA3 -0.217 3.743 3.960 0.000 0.000 0.253 1178 G C -0.081 174.853 174.900 0.058 0.000 0.979 1178 G CA 0.564 45.713 45.100 0.082 0.000 0.641 1178 G HN 0.959 nan 8.290 nan 0.000 0.530 1179 M N -2.637 116.986 119.600 0.037 0.000 2.895 1179 M HA 0.787 5.267 4.480 0.000 0.000 0.271 1179 M C -0.594 175.712 176.300 0.011 0.000 1.174 1179 M CA -0.471 54.844 55.300 0.025 0.000 0.816 1179 M CB 1.247 33.863 32.600 0.027 0.000 1.647 1179 M HN 1.601 nan 8.290 nan 0.000 0.506 1180 A N 0.043 122.865 122.820 0.004 0.000 2.524 1180 A HA 0.991 5.311 4.320 0.000 0.000 0.303 1180 A C -1.313 176.266 177.584 -0.009 0.000 1.195 1180 A CA -0.427 51.607 52.037 -0.005 0.000 0.651 1180 A CB 1.704 20.698 19.000 -0.009 0.000 1.323 1180 A HN 0.991 nan 8.150 nan 0.000 0.479 1181 T N 0.181 114.727 114.554 -0.014 0.000 3.041 1181 T HA 0.571 4.921 4.350 0.000 0.000 0.321 1181 T C -2.110 172.580 174.700 -0.017 0.000 1.184 1181 T CA -0.418 61.676 62.100 -0.009 0.000 1.050 1181 T CB 0.951 69.822 68.868 0.005 0.000 1.159 1181 T HN 0.644 nan 8.240 nan 0.000 0.469 1182 N N 3.973 122.660 118.700 -0.022 0.000 2.690 1182 N HA 0.458 5.198 4.740 0.000 0.000 0.255 1182 N C -1.461 174.122 175.510 0.122 0.000 1.195 1182 N CA -0.338 52.689 53.050 -0.038 0.000 0.790 1182 N CB 0.376 38.673 38.487 -0.316 0.000 1.216 1182 N HN 0.521 nan 8.380 nan 0.000 0.528 1183 I N 3.089 123.779 120.570 0.200 0.000 2.359 1183 I HA 0.467 4.637 4.170 0.000 0.000 0.294 1183 I C -1.948 174.352 176.117 0.304 0.000 0.987 1183 I CA -1.919 59.531 61.300 0.250 0.000 1.225 1183 I CB 1.660 39.749 38.000 0.148 0.000 1.366 1183 I HN 0.283 nan 8.210 nan 0.000 0.466 1184 P HA 0.419 nan 4.420 nan 0.000 0.278 1184 P C -2.684 174.424 177.300 -0.319 0.000 1.266 1184 P CA -1.820 61.226 63.100 -0.089 0.000 0.807 1184 P CB 0.124 31.633 31.700 -0.319 0.000 1.094 1185 P HA 0.360 nan 4.420 nan 0.000 0.277 1185 P C -0.943 175.904 177.300 -0.756 0.000 1.271 1185 P CA -0.022 62.809 63.100 -0.448 0.000 0.795 1185 P CB 0.443 31.867 31.700 -0.459 0.000 1.101 1186 H N -1.893 117.093 119.070 -0.138 0.000 2.928 1186 H HA 0.319 4.875 4.556 0.000 0.000 0.371 1186 H C -0.076 175.239 175.328 -0.021 0.000 1.186 1186 H CA -0.807 55.179 56.048 -0.104 0.000 1.134 1186 H CB 0.874 30.608 29.762 -0.046 0.000 1.824 1186 H HN 0.267 nan 8.280 nan 0.000 0.554 1187 N N 1.847 120.611 118.700 0.107 0.000 2.468 1187 N HA -0.059 4.682 4.740 0.000 0.000 0.265 1187 N C 0.935 176.547 175.510 0.170 0.000 1.199 1187 N CA 0.146 53.281 53.050 0.142 0.000 0.928 1187 N CB 0.800 39.337 38.487 0.082 0.000 1.059 1187 N HN 0.709 nan 8.380 nan 0.000 0.467 1188 L N 3.853 125.211 121.223 0.225 0.000 2.156 1188 L HA -0.065 4.275 4.340 0.000 0.000 0.208 1188 L C 1.692 178.571 176.870 0.014 0.000 1.095 1188 L CA 1.181 56.063 54.840 0.070 0.000 0.770 1188 L CB -0.381 41.585 42.059 -0.154 0.000 0.914 1188 L HN 0.516 nan 8.230 nan 0.000 0.439 1189 T N -0.080 114.490 114.554 0.025 0.000 2.759 1189 T HA -0.200 4.150 4.350 0.000 0.000 0.269 1189 T C 1.619 176.330 174.700 0.019 0.000 1.042 1189 T CA 1.958 64.068 62.100 0.016 0.000 1.140 1189 T CB -0.270 68.611 68.868 0.022 0.000 0.864 1189 T HN 0.530 nan 8.240 nan 0.000 0.455 1190 E N 0.606 120.825 120.200 0.031 0.000 2.107 1190 E HA 0.034 4.384 4.350 0.000 0.000 0.191 1190 E C 2.238 178.837 176.600 -0.003 0.000 0.982 1190 E CA 0.558 56.971 56.400 0.021 0.000 0.809 1190 E CB -0.201 29.521 29.700 0.037 0.000 0.756 1190 E HN 0.410 nan 8.360 nan 0.000 0.459 1191 L N 1.012 122.234 121.223 -0.002 0.000 2.017 1191 L HA -0.177 4.163 4.340 0.000 0.000 0.208 1191 L C 2.415 179.273 176.870 -0.020 0.000 1.073 1191 L CA 0.805 55.622 54.840 -0.039 0.000 0.745 1191 L CB -0.434 41.602 42.059 -0.038 0.000 0.894 1191 L HN 0.221 nan 8.230 nan 0.000 0.432 1192 I N -0.145 120.427 120.570 0.003 0.000 2.394 1192 I HA -0.229 3.942 4.170 0.000 0.000 0.251 1192 I C 1.929 178.057 176.117 0.018 0.000 1.136 1192 I CA 1.260 62.575 61.300 0.026 0.000 1.425 1192 I CB -1.301 36.718 38.000 0.031 0.000 1.079 1192 I HN 0.333 nan 8.210 nan 0.000 0.425 1193 N N 1.481 120.185 118.700 0.007 0.000 2.270 1193 N HA -0.073 4.667 4.740 0.000 0.000 0.181 1193 N C 2.013 177.520 175.510 -0.004 0.000 1.016 1193 N CA 1.353 54.405 53.050 0.004 0.000 0.870 1193 N CB -0.470 38.019 38.487 0.004 0.000 0.979 1193 N HN 0.406 nan 8.380 nan 0.000 0.431 1194 G N 0.123 108.912 108.800 -0.017 0.000 2.394 1194 G HA2 -0.137 3.823 3.960 0.000 0.000 0.214 1194 G HA3 -0.137 3.823 3.960 0.000 0.000 0.214 1194 G C 1.661 176.551 174.900 -0.016 0.000 1.176 1194 G CA 0.463 45.544 45.100 -0.031 0.000 0.786 1194 G HN 0.151 nan 8.290 nan 0.000 0.533 1195 V N 1.100 121.015 119.914 0.002 0.000 2.282 1195 V HA -0.215 3.905 4.120 0.000 0.000 0.249 1195 V C 2.980 179.089 176.094 0.023 0.000 1.057 1195 V CA 1.796 64.116 62.300 0.034 0.000 1.032 1195 V CB -0.451 31.428 31.823 0.093 0.000 0.645 1195 V HN 0.364 nan 8.190 nan 0.000 0.447 1196 L N -0.337 120.898 121.223 0.019 0.000 1.989 1196 L HA -0.191 4.149 4.340 0.000 0.000 0.211 1196 L C 2.506 179.377 176.870 0.001 0.000 1.071 1196 L CA 2.003 56.850 54.840 0.011 0.000 0.749 1196 L CB -0.719 41.347 42.059 0.011 0.000 0.890 1196 L HN 0.288 nan 8.230 nan 0.000 0.431 1197 S N -0.152 115.547 115.700 -0.003 0.000 2.500 1197 S HA -0.120 4.350 4.470 0.000 0.000 0.239 1197 S C 1.654 176.247 174.600 -0.011 0.000 0.989 1197 S CA 0.863 59.059 58.200 -0.007 0.000 0.951 1197 S CB -0.178 63.017 63.200 -0.009 0.000 0.759 1197 S HN 0.270 nan 8.310 nan 0.000 0.523 1198 L N 1.934 123.150 121.223 -0.011 0.000 2.168 1198 L HA 0.092 4.433 4.340 0.000 0.000 0.203 1198 L C 2.200 179.059 176.870 -0.018 0.000 1.078 1198 L CA 1.752 56.582 54.840 -0.016 0.000 0.780 1198 L CB -0.809 41.240 42.059 -0.016 0.000 0.939 1198 L HN 0.291 nan 8.230 nan 0.000 0.451 1199 S N -1.300 114.391 115.700 -0.015 0.000 2.453 1199 S HA -0.086 4.384 4.470 0.000 0.000 0.231 1199 S C 1.754 176.344 174.600 -0.017 0.000 1.005 1199 S CA 0.675 58.864 58.200 -0.019 0.000 0.949 1199 S CB -0.495 62.694 63.200 -0.018 0.000 0.774 1199 S HN 0.536 nan 8.310 nan 0.000 0.510 1200 K N 0.890 121.283 120.400 -0.013 0.000 2.426 1200 K HA 0.238 4.559 4.320 0.000 0.000 0.193 1200 K C -0.024 176.569 176.600 -0.012 0.000 1.028 1200 K CA 0.165 56.445 56.287 -0.011 0.000 1.047 1200 K CB 0.020 32.516 32.500 -0.007 0.000 0.821 1200 K HN 0.313 nan 8.250 nan 0.000 0.513 1201 N N -0.104 118.587 118.700 -0.014 0.000 2.699 1201 N HA 0.133 4.873 4.740 0.000 0.000 0.271 1201 N C -2.686 172.813 175.510 -0.018 0.000 1.216 1201 N CA -1.468 51.574 53.050 -0.015 0.000 0.844 1201 N CB 1.594 40.074 38.487 -0.012 0.000 1.462 1201 N HN -0.293 nan 8.380 nan 0.000 0.555 1202 P HA 0.050 nan 4.420 nan 0.000 0.217 1202 P C -0.482 176.803 177.300 -0.025 0.000 1.151 1202 P CA 1.048 64.132 63.100 -0.026 0.000 0.828 1202 P CB 0.320 32.003 31.700 -0.027 0.000 0.788 1203 D N -0.290 120.098 120.400 -0.019 0.000 2.973 1203 D HA 0.206 4.847 4.640 0.000 0.000 0.263 1203 D C -0.254 176.039 176.300 -0.013 0.000 1.266 1203 D CA -0.173 53.818 54.000 -0.016 0.000 0.975 1203 D CB -0.760 40.032 40.800 -0.013 0.000 1.032 1203 D HN 0.153 nan 8.370 nan 0.000 0.510 1204 I N 1.407 121.967 120.570 -0.015 0.000 2.304 1204 I HA 0.130 4.300 4.170 0.000 0.000 0.291 1204 I C 0.367 176.477 176.117 -0.012 0.000 1.018 1204 I CA -0.458 60.834 61.300 -0.013 0.000 1.260 1204 I CB 0.536 38.526 38.000 -0.016 0.000 1.390 1204 I HN 0.035 nan 8.210 nan 0.000 0.475 1205 S N 6.564 122.261 115.700 -0.006 0.000 2.559 1205 S HA 0.055 4.525 4.470 0.000 0.000 0.282 1205 S C 1.199 175.798 174.600 -0.001 0.000 1.336 1205 S CA -0.404 57.796 58.200 -0.000 0.000 1.037 1205 S CB 0.781 63.985 63.200 0.006 0.000 0.853 1205 S HN 0.640 nan 8.310 nan 0.000 0.523 1206 I N 0.947 121.521 120.570 0.006 0.000 2.493 1206 I HA -0.093 4.077 4.170 0.000 0.000 0.254 1206 I C 2.579 178.712 176.117 0.028 0.000 1.160 1206 I CA 1.251 62.556 61.300 0.008 0.000 1.445 1206 I CB -0.824 37.191 38.000 0.026 0.000 1.086 1206 I HN 0.807 nan 8.210 nan 0.000 0.433 1207 A N 0.297 123.136 122.820 0.032 0.000 2.119 1207 A HA -0.166 4.154 4.320 0.000 0.000 0.217 1207 A C 2.259 179.860 177.584 0.028 0.000 1.153 1207 A CA 1.218 53.279 52.037 0.039 0.000 0.692 1207 A CB -0.464 18.555 19.000 0.032 0.000 0.799 1207 A HN 0.502 nan 8.150 nan 0.000 0.458 1208 E N -0.649 119.560 120.200 0.015 0.000 2.474 1208 E HA 0.149 4.499 4.350 0.000 0.000 0.194 1208 E C 1.071 177.671 176.600 0.001 0.000 1.041 1208 E CA 0.002 56.406 56.400 0.008 0.000 0.874 1208 E CB 0.025 29.726 29.700 0.002 0.000 0.914 1208 E HN 0.623 nan 8.360 nan 0.000 0.498 1209 L N 0.046 121.266 121.223 -0.005 0.000 2.616 1209 L HA 0.227 4.567 4.340 0.000 0.000 0.229 1209 L C 1.669 178.531 176.870 -0.012 0.000 1.110 1209 L CA -0.005 54.820 54.840 -0.027 0.000 0.884 1209 L CB 0.263 42.282 42.059 -0.065 0.000 1.115 1209 L HN 0.128 nan 8.230 nan 0.000 0.481 1210 M N -0.388 119.231 119.600 0.031 0.000 2.571 1210 M HA 0.039 4.520 4.480 0.000 0.000 0.235 1210 M C 0.872 177.201 176.300 0.049 0.000 1.216 1210 M CA 0.532 55.876 55.300 0.073 0.000 0.979 1210 M CB 0.127 32.804 32.600 0.128 0.000 1.616 1210 M HN 0.164 nan 8.290 nan 0.000 0.469 1211 E N -0.194 120.021 120.200 0.026 0.000 2.431 1211 E HA -0.021 4.330 4.350 0.000 0.000 0.200 1211 E C 0.797 177.406 176.600 0.016 0.000 0.995 1211 E CA 0.382 56.794 56.400 0.020 0.000 0.915 1211 E CB 0.513 30.221 29.700 0.013 0.000 0.930 1211 E HN 0.486 nan 8.360 nan 0.000 0.496 1212 D N 0.406 120.812 120.400 0.010 0.000 2.525 1212 D HA 0.113 4.753 4.640 0.000 0.000 0.248 1212 D C 0.616 176.921 176.300 0.009 0.000 1.000 1212 D CA 0.404 54.407 54.000 0.005 0.000 0.923 1212 D CB 1.127 41.923 40.800 -0.007 0.000 1.101 1212 D HN 0.072 nan 8.370 nan 0.000 0.493 1213 I N 2.262 122.834 120.570 0.005 0.000 2.347 1213 I HA 0.152 4.322 4.170 0.000 0.000 0.283 1213 I C 0.808 176.983 176.117 0.096 0.000 1.058 1213 I CA -0.123 61.190 61.300 0.022 0.000 1.202 1213 I CB 1.239 39.195 38.000 -0.073 0.000 1.386 1213 I HN -0.194 nan 8.210 nan 0.000 0.475 1214 E N 4.114 124.370 120.200 0.094 0.000 2.208 1214 E HA 0.147 4.497 4.350 0.000 0.000 0.193 1214 E C 1.102 177.786 176.600 0.139 0.000 0.988 1214 E CA 0.291 56.750 56.400 0.099 0.000 0.828 1214 E CB 0.264 29.997 29.700 0.055 0.000 0.763 1214 E HN 0.869 nan 8.360 nan 0.000 0.478 1215 G N 0.263 109.176 108.800 0.189 0.000 2.333 1215 G HA2 0.121 4.081 3.960 0.000 0.000 0.288 1215 G HA3 0.121 4.081 3.960 0.000 0.000 0.288 1215 G C -3.040 172.015 174.900 0.258 0.000 1.286 1215 G CA -1.162 44.079 45.100 0.235 0.000 0.865 1215 G HN -0.207 nan 8.290 nan 0.000 0.506 1216 P HA 0.469 nan 4.420 nan 0.000 0.274 1216 P C -1.089 175.916 177.300 -0.490 0.000 1.256 1216 P CA 0.113 62.945 63.100 -0.447 0.000 0.795 1216 P CB 0.881 32.128 31.700 -0.755 0.000 1.038 1217 D N -0.260 119.728 120.400 -0.686 0.000 2.319 1217 D HA 0.315 4.956 4.640 0.000 0.000 0.237 1217 D C -1.151 174.811 176.300 -0.564 0.000 1.353 1217 D CA -0.286 53.428 54.000 -0.478 0.000 0.992 1217 D CB -0.051 40.610 40.800 -0.232 0.000 1.368 1217 D HN -0.016 nan 8.370 nan 0.000 0.564 1218 F N 2.336 122.111 119.950 -0.292 0.000 2.450 1218 F HA 0.291 4.819 4.527 0.000 0.000 0.339 1218 F C -0.994 174.597 175.800 -0.348 0.000 1.146 1218 F CA -1.834 55.920 58.000 -0.410 0.000 1.267 1218 F CB 0.369 39.205 39.000 -0.273 0.000 1.178 1218 F HN 0.266 nan 8.300 nan 0.000 0.585 1219 P HA -0.012 nan 4.420 nan 0.000 0.237 1219 P C 0.685 177.988 177.300 0.005 0.000 1.178 1219 P CA 1.047 64.052 63.100 -0.158 0.000 0.766 1219 P CB 0.081 31.654 31.700 -0.210 0.000 0.876 1220 T N -3.026 111.567 114.554 0.066 0.000 2.990 1220 T HA 0.542 4.892 4.350 0.000 0.000 0.249 1220 T C 0.908 175.651 174.700 0.071 0.000 1.039 1220 T CA 0.417 62.574 62.100 0.095 0.000 1.036 1220 T CB -0.065 68.876 68.868 0.121 0.000 0.994 1220 T HN 0.201 nan 8.240 nan 0.000 0.489 1221 A N 0.539 123.414 122.820 0.091 0.000 5.757 1221 A HA 0.342 4.663 4.320 0.000 0.000 0.240 1221 A C 0.943 178.581 177.584 0.090 0.000 2.324 1221 A CA 0.156 52.245 52.037 0.087 0.000 0.706 1221 A CB -1.496 17.532 19.000 0.048 0.000 0.942 1221 A HN 1.970 nan 8.150 nan 0.000 0.337 1222 G N -3.190 105.646 108.800 0.061 0.000 2.418 1222 G HA2 0.444 4.404 3.960 0.000 0.000 0.206 1222 G HA3 0.444 4.404 3.960 0.000 0.000 0.206 1222 G C -0.737 174.188 174.900 0.042 0.000 1.202 1222 G CA 0.313 45.439 45.100 0.043 0.000 1.061 1222 G HN 2.048 nan 8.290 nan 0.000 0.563 1223 L N 0.221 121.458 121.223 0.023 0.000 2.333 1223 L HA 0.898 5.238 4.340 0.000 0.000 0.269 1223 L C 0.116 177.000 176.870 0.024 0.000 1.010 1223 L CA -0.697 54.148 54.840 0.008 0.000 0.818 1223 L CB 1.865 43.901 42.059 -0.039 0.000 1.306 1223 L HN 0.640 nan 8.230 nan 0.000 0.430 1224 I N 2.484 123.069 120.570 0.025 0.000 2.569 1224 I HA 0.354 4.524 4.170 0.000 0.000 0.290 1224 I C -1.058 175.057 176.117 -0.002 0.000 1.088 1224 I CA -0.549 60.771 61.300 0.034 0.000 1.047 1224 I CB 1.981 40.029 38.000 0.080 0.000 1.237 1224 I HN 0.281 nan 8.210 nan 0.000 0.421 1225 L N 6.071 127.285 121.223 -0.016 0.000 2.260 1225 L HA 0.648 4.988 4.340 0.000 0.000 0.289 1225 L C 0.854 177.714 176.870 -0.017 0.000 1.057 1225 L CA -0.314 54.509 54.840 -0.029 0.000 0.811 1225 L CB 0.296 42.327 42.059 -0.047 0.000 1.184 1225 L HN 0.901 nan 8.230 nan 0.000 0.429 1226 G N 3.274 112.064 108.800 -0.017 0.000 2.860 1226 G HA2 -0.254 3.706 3.960 0.000 0.000 0.553 1226 G HA3 -0.254 3.706 3.960 0.000 0.000 0.553 1226 G C 0.076 174.964 174.900 -0.020 0.000 1.439 1226 G CA -0.327 44.764 45.100 -0.015 0.000 0.879 1226 G HN 0.772 nan 8.290 nan 0.000 0.545 1227 K N -0.317 120.069 120.400 -0.022 0.000 2.413 1227 K HA 0.309 4.629 4.320 0.000 0.000 0.204 1227 K C 2.205 178.781 176.600 -0.041 0.000 1.041 1227 K CA 0.570 56.834 56.287 -0.038 0.000 1.082 1227 K CB 0.714 33.201 32.500 -0.022 0.000 0.871 1227 K HN 0.408 nan 8.250 nan 0.000 0.535 1228 S N 0.252 115.937 115.700 -0.026 0.000 2.414 1228 S HA -0.045 4.425 4.470 0.000 0.000 0.227 1228 S C 1.773 176.359 174.600 -0.024 0.000 1.022 1228 S CA 1.345 59.534 58.200 -0.019 0.000 0.958 1228 S CB 0.051 63.246 63.200 -0.008 0.000 0.797 1228 S HN 0.456 nan 8.310 nan 0.000 0.493 1229 G N 0.157 108.940 108.800 -0.029 0.000 2.744 1229 G HA2 0.150 4.110 3.960 0.000 0.000 0.211 1229 G HA3 0.150 4.110 3.960 0.000 0.000 0.211 1229 G C 1.090 175.954 174.900 -0.061 0.000 1.146 1229 G CA 0.303 45.389 45.100 -0.023 0.000 0.787 1229 G HN 0.515 nan 8.290 nan 0.000 0.534 1230 I N 0.026 120.523 120.570 -0.121 0.000 2.429 1230 I HA 0.166 4.336 4.170 0.000 0.000 0.247 1230 I C 2.459 178.361 176.117 -0.359 0.000 1.099 1230 I CA 0.448 61.570 61.300 -0.297 0.000 1.422 1230 I CB -0.285 37.513 38.000 -0.336 0.000 1.112 1230 I HN 0.003 nan 8.210 nan 0.000 0.430 1231 R N 0.701 121.096 120.500 -0.175 0.000 2.211 1231 R HA -0.236 4.104 4.340 0.000 0.000 0.240 1231 R C 2.325 178.622 176.300 -0.005 0.000 1.144 1231 R CA 1.332 57.399 56.100 -0.055 0.000 0.992 1231 R CB -0.035 30.260 30.300 -0.009 0.000 0.869 1231 R HN 0.134 nan 8.270 nan 0.000 0.462 1232 R N 0.290 120.773 120.500 -0.028 0.000 2.060 1232 R HA 0.018 4.358 4.340 0.000 0.000 0.225 1232 R C 2.016 178.344 176.300 0.047 0.000 1.155 1232 R CA 2.029 58.137 56.100 0.013 0.000 0.930 1232 R CB -0.868 29.436 30.300 0.005 0.000 0.829 1232 R HN 0.222 nan 8.270 nan 0.000 0.433 1233 A N -0.450 122.391 122.820 0.034 0.000 2.076 1233 A HA -0.159 4.161 4.320 0.000 0.000 0.220 1233 A C 1.849 179.572 177.584 0.232 0.000 1.160 1233 A CA 1.315 53.415 52.037 0.104 0.000 0.653 1233 A CB -0.778 18.284 19.000 0.103 0.000 0.801 1233 A HN 0.515 nan 8.150 nan 0.000 0.455 1234 Y N 0.049 120.376 120.300 0.046 0.000 2.439 1234 Y HA -0.027 4.523 4.550 0.000 0.000 0.292 1234 Y C 2.066 177.977 175.900 0.019 0.000 1.130 1234 Y CA 1.008 59.125 58.100 0.027 0.000 1.254 1234 Y CB -0.263 38.208 38.460 0.018 0.000 1.000 1234 Y HN 0.534 nan 8.280 nan 0.000 0.554 1235 E N -1.524 118.785 120.200 0.183 0.000 2.460 1235 E HA 0.014 4.364 4.350 0.000 0.000 0.200 1235 E C 1.337 177.983 176.600 0.077 0.000 1.011 1235 E CA 1.048 57.511 56.400 0.105 0.000 0.912 1235 E CB 0.306 30.055 29.700 0.083 0.000 0.953 1235 E HN 0.408 nan 8.360 nan 0.000 0.494 1236 T N -4.716 109.890 114.554 0.085 0.000 3.131 1236 T HA 0.334 4.684 4.350 0.000 0.000 0.283 1236 T C 1.393 176.132 174.700 0.066 0.000 0.906 1236 T CA 0.518 62.656 62.100 0.064 0.000 0.882 1236 T CB 0.962 69.861 68.868 0.051 0.000 1.208 1236 T HN 0.191 nan 8.240 nan 0.000 0.561 1237 G N 2.368 111.222 108.800 0.090 0.000 2.454 1237 G HA2 -0.227 3.733 3.960 0.000 0.000 0.225 1237 G HA3 -0.227 3.733 3.960 0.000 0.000 0.225 1237 G C 0.138 175.089 174.900 0.085 0.000 1.138 1237 G CA -0.121 45.032 45.100 0.088 0.000 0.667 1237 G HN 0.721 nan 8.290 nan 0.000 0.512 1238 R N 1.180 121.718 120.500 0.064 0.000 2.255 1238 R HA 0.579 4.919 4.340 0.000 0.000 0.326 1238 R C 0.079 176.408 176.300 0.049 0.000 0.986 1238 R CA 0.339 56.469 56.100 0.050 0.000 0.847 1238 R CB 1.510 31.829 30.300 0.032 0.000 1.111 1238 R HN 0.745 nan 8.270 nan 0.000 0.452 1239 G N 0.275 109.105 108.800 0.051 0.000 2.702 1239 G HA2 0.230 4.190 3.960 0.000 0.000 0.296 1239 G HA3 0.230 4.190 3.960 0.000 0.000 0.296 1239 G C -1.523 173.408 174.900 0.052 0.000 1.463 1239 G CA -0.396 44.730 45.100 0.044 0.000 0.890 1239 G HN 0.383 nan 8.290 nan 0.000 0.534 1240 S N -0.187 115.539 115.700 0.043 0.000 2.509 1240 S HA 0.813 5.283 4.470 0.000 0.000 0.297 1240 S C -0.316 174.331 174.600 0.079 0.000 1.118 1240 S CA -0.699 57.537 58.200 0.059 0.000 1.074 1240 S CB 0.572 63.792 63.200 0.032 0.000 1.038 1240 S HN 0.495 nan 8.310 nan 0.000 0.498 1241 I N 4.221 124.873 120.570 0.136 0.000 2.500 1241 I HA 0.273 4.443 4.170 0.000 0.000 0.286 1241 I C -0.468 175.727 176.117 0.129 0.000 1.063 1241 I CA -0.800 60.580 61.300 0.133 0.000 1.062 1241 I CB 1.935 40.040 38.000 0.176 0.000 1.223 1241 I HN 0.473 nan 8.210 nan 0.000 0.435 1242 Q N 6.838 126.679 119.800 0.068 0.000 2.286 1242 Q HA 0.386 4.727 4.340 0.000 0.000 0.267 1242 Q C -0.354 175.663 176.000 0.028 0.000 1.028 1242 Q CA 0.326 56.152 55.803 0.038 0.000 0.901 1242 Q CB 1.424 30.165 28.738 0.006 0.000 1.183 1242 Q HN 0.625 nan 8.270 nan 0.000 0.392 1243 M N 1.829 121.430 119.600 0.002 0.000 2.369 1243 M HA 0.506 4.986 4.480 0.000 0.000 0.291 1243 M C 0.186 176.454 176.300 -0.054 0.000 1.178 1243 M CA -0.442 54.832 55.300 -0.044 0.000 0.996 1243 M CB 1.198 33.702 32.600 -0.160 0.000 1.472 1243 M HN 0.414 nan 8.290 nan 0.000 0.496 1244 R N 0.603 121.068 120.500 -0.059 0.000 2.879 1244 R HA 0.189 4.529 4.340 0.000 0.000 0.291 1244 R C -1.331 174.964 176.300 -0.009 0.000 1.246 1244 R CA -0.203 55.859 56.100 -0.064 0.000 1.083 1244 R CB 1.149 31.319 30.300 -0.217 0.000 1.274 1244 R HN 0.933 nan 8.270 nan 0.000 0.393 1245 S N 3.345 119.077 115.700 0.053 0.000 2.558 1245 S HA -0.020 4.450 4.470 0.000 0.000 0.293 1245 S C 0.351 175.003 174.600 0.087 0.000 1.292 1245 S CA -0.427 57.810 58.200 0.062 0.000 1.063 1245 S CB 0.827 64.068 63.200 0.069 0.000 0.831 1245 S HN 0.646 nan 8.310 nan 0.000 0.499 1246 R N 1.861 122.395 120.500 0.056 0.000 2.309 1246 R HA 0.433 4.773 4.340 0.000 0.000 0.331 1246 R C 0.011 176.350 176.300 0.065 0.000 1.116 1246 R CA -0.055 56.078 56.100 0.055 0.000 0.970 1246 R CB -0.600 29.721 30.300 0.036 0.000 1.024 1246 R HN 0.814 nan 8.270 nan 0.000 0.472 1247 A N 3.604 126.482 122.820 0.096 0.000 2.313 1247 A HA 0.755 5.075 4.320 0.000 0.000 0.323 1247 A C -0.777 176.847 177.584 0.067 0.000 1.133 1247 A CA -0.634 51.451 52.037 0.079 0.000 0.847 1247 A CB 1.586 20.642 19.000 0.092 0.000 1.308 1247 A HN 0.508 nan 8.150 nan 0.000 0.475 1248 V N -2.067 117.872 119.914 0.043 0.000 3.202 1248 V HA 0.746 4.867 4.120 0.000 0.000 0.306 1248 V C -1.375 174.732 176.094 0.022 0.000 1.283 1248 V CA -0.774 61.546 62.300 0.034 0.000 1.065 1248 V CB 1.604 33.442 31.823 0.026 0.000 1.079 1248 V HN 0.660 nan 8.190 nan 0.000 0.448 1249 I N 1.743 122.324 120.570 0.018 0.000 2.468 1249 I HA 0.660 4.830 4.170 0.000 0.000 0.285 1249 I C -0.346 175.776 176.117 0.008 0.000 1.039 1249 I CA -0.147 61.159 61.300 0.010 0.000 1.074 1249 I CB 1.755 39.761 38.000 0.010 0.000 1.228 1249 I HN 0.959 nan 8.210 nan 0.000 0.436 1250 E N 4.172 124.375 120.200 0.005 0.000 2.367 1250 E HA 0.734 5.084 4.350 0.000 0.000 0.273 1250 E C -1.427 175.174 176.600 0.001 0.000 0.903 1250 E CA -1.136 55.266 56.400 0.004 0.000 0.764 1250 E CB 1.733 31.435 29.700 0.005 0.000 1.252 1250 E HN 0.358 nan 8.360 nan 0.000 0.446 1251 E N 1.329 121.530 120.200 0.001 0.000 2.349 1251 E HA 0.213 4.563 4.350 0.000 0.000 0.265 1251 E C 0.508 177.108 176.600 -0.000 0.000 1.064 1251 E CA -0.646 55.754 56.400 -0.000 0.000 0.886 1251 E CB 0.971 30.671 29.700 0.000 0.000 1.036 1251 E HN 0.678 nan 8.360 nan 0.000 0.413 1252 R N 0.942 121.441 120.500 -0.001 0.000 2.404 1252 R HA 0.344 4.684 4.340 0.000 0.000 0.237 1252 R C -0.254 176.045 176.300 -0.001 0.000 0.907 1252 R CA 0.282 56.381 56.100 -0.002 0.000 1.063 1252 R CB 0.451 30.749 30.300 -0.003 0.000 1.134 1252 R HN 0.610 nan 8.270 nan 0.000 0.529 1253 G N -0.850 107.950 108.800 -0.001 0.000 2.462 1253 G HA2 0.328 4.289 3.960 0.000 0.000 0.424 1253 G HA3 0.328 4.289 3.960 0.000 0.000 0.424 1253 G C 0.245 175.144 174.900 -0.002 0.000 1.573 1253 G CA -0.446 44.653 45.100 -0.001 0.000 0.913 1253 G HN 0.699 nan 8.290 nan 0.000 0.672 1254 G N -0.295 108.504 108.800 -0.001 0.000 2.144 1254 G HA2 0.415 4.375 3.960 0.000 0.000 0.218 1254 G HA3 0.415 4.375 3.960 0.000 0.000 0.218 1254 G C 1.961 176.861 174.900 -0.001 0.000 0.988 1254 G CA 1.107 46.206 45.100 -0.001 0.000 0.659 1254 G HN 3.001 nan 8.290 nan 0.000 0.522 1255 G N -1.072 107.727 108.800 -0.001 0.000 2.205 1255 G HA2 -0.260 3.700 3.960 0.000 0.000 0.261 1255 G HA3 -0.260 3.700 3.960 0.000 0.000 0.261 1255 G C 0.488 175.387 174.900 -0.002 0.000 0.980 1255 G CA 1.044 46.143 45.100 -0.001 0.000 0.632 1255 G HN 1.089 nan 8.290 nan 0.000 0.533 1256 R N 0.640 121.138 120.500 -0.002 0.000 2.490 1256 R HA 0.559 4.899 4.340 0.000 0.000 0.278 1256 R C 0.505 176.803 176.300 -0.004 0.000 1.069 1256 R CA -0.146 55.952 56.100 -0.004 0.000 1.080 1256 R CB 0.587 30.884 30.300 -0.004 0.000 1.030 1256 R HN 0.457 nan 8.270 nan 0.000 0.491 1257 Q N 2.058 121.855 119.800 -0.005 0.000 2.252 1257 Q HA 0.520 4.860 4.340 0.000 0.000 0.256 1257 Q C -0.389 175.606 176.000 -0.007 0.000 1.020 1257 Q CA -1.036 54.764 55.803 -0.005 0.000 0.913 1257 Q CB 2.409 31.144 28.738 -0.004 0.000 1.286 1257 Q HN 0.579 nan 8.270 nan 0.000 0.480 1258 R N -0.427 120.068 120.500 -0.007 0.000 2.594 1258 R HA 0.457 4.797 4.340 0.000 0.000 0.265 1258 R C -1.606 174.687 176.300 -0.010 0.000 1.070 1258 R CA -0.615 55.479 56.100 -0.010 0.000 0.909 1258 R CB 0.888 31.183 30.300 -0.009 0.000 1.243 1258 R HN 0.581 nan 8.270 nan 0.000 0.455 1259 I N 3.227 123.787 120.570 -0.017 0.000 2.325 1259 I HA 0.268 4.438 4.170 0.000 0.000 0.291 1259 I C -0.547 175.562 176.117 -0.014 0.000 1.019 1259 I CA -0.979 60.310 61.300 -0.018 0.000 1.302 1259 I CB 1.878 39.857 38.000 -0.035 0.000 1.401 1259 I HN 0.353 nan 8.210 nan 0.000 0.485 1260 V N 7.820 127.731 119.914 -0.005 0.000 2.380 1260 V HA 0.204 4.324 4.120 0.000 0.000 0.286 1260 V C -0.045 176.052 176.094 0.006 0.000 1.015 1260 V CA -0.642 61.656 62.300 -0.002 0.000 0.834 1260 V CB 1.962 33.785 31.823 0.000 0.000 1.009 1260 V HN 0.421 nan 8.190 nan 0.000 0.428 1261 V N 3.609 123.525 119.914 0.004 0.000 2.488 1261 V HA 0.297 4.418 4.120 0.000 0.000 0.277 1261 V C 1.328 177.430 176.094 0.013 0.000 1.046 1261 V CA 0.394 62.703 62.300 0.014 0.000 0.986 1261 V CB 0.895 32.725 31.823 0.011 0.000 0.989 1261 V HN 0.963 nan 8.190 nan 0.000 0.475 1262 T N 0.512 115.078 114.554 0.020 0.000 3.022 1262 T HA 0.313 4.664 4.350 0.000 0.000 0.250 1262 T C 0.343 175.054 174.700 0.020 0.000 1.060 1262 T CA 0.041 62.152 62.100 0.017 0.000 1.013 1262 T CB 0.127 69.006 68.868 0.018 0.000 0.982 1262 T HN 0.686 nan 8.240 nan 0.000 0.508 1263 E N 0.618 120.832 120.200 0.024 0.000 2.356 1263 E HA 0.655 5.005 4.350 0.000 0.000 0.275 1263 E C -0.684 175.929 176.600 0.021 0.000 0.904 1263 E CA -0.992 55.422 56.400 0.024 0.000 0.757 1263 E CB 2.616 32.334 29.700 0.030 0.000 1.232 1263 E HN 0.445 nan 8.360 nan 0.000 0.442 1264 I N -2.093 118.484 120.570 0.012 0.000 3.540 1264 I HA 0.712 4.882 4.170 0.000 0.000 0.288 1264 I C -2.469 173.635 176.117 -0.022 0.000 1.169 1264 I CA -2.864 58.435 61.300 -0.001 0.000 1.038 1264 I CB 1.020 39.011 38.000 -0.016 0.000 1.338 1264 I HN 0.230 nan 8.210 nan 0.000 0.507 1265 P HA 0.241 nan 4.420 nan 0.000 0.281 1265 P C -1.012 176.223 177.300 -0.109 0.000 1.264 1265 P CA -0.273 62.746 63.100 -0.136 0.000 0.824 1265 P CB 0.508 32.120 31.700 -0.146 0.000 1.092 1266 F N 1.842 121.542 119.950 -0.417 0.000 2.484 1266 F HA 0.141 4.668 4.527 0.000 0.000 0.360 1266 F C 1.220 176.924 175.800 -0.160 0.000 1.101 1266 F CA 0.442 58.271 58.000 -0.286 0.000 1.251 1266 F CB -0.020 38.740 39.000 -0.401 0.000 1.132 1266 F HN 0.533 nan 8.300 nan 0.000 0.570 1267 Q N 1.541 120.955 119.800 -0.645 0.000 2.465 1267 Q HA -0.137 4.203 4.340 0.000 0.000 0.248 1267 Q C -1.152 174.696 176.000 -0.254 0.000 0.819 1267 Q CA 0.709 56.157 55.803 -0.590 0.000 1.219 1267 Q CB -1.430 26.802 28.738 -0.843 0.000 1.472 1267 Q HN 0.431 nan 8.270 nan 0.000 0.630 1268 V N 2.111 121.924 119.914 -0.167 0.000 2.334 1268 V HA 0.219 4.339 4.120 0.000 0.000 0.281 1268 V C 0.283 176.325 176.094 -0.086 0.000 1.016 1268 V CA -0.760 61.477 62.300 -0.106 0.000 0.832 1268 V CB 1.504 33.276 31.823 -0.085 0.000 0.999 1268 V HN 0.231 nan 8.190 nan 0.000 0.439 1269 N N 4.721 123.374 118.700 -0.079 0.000 2.429 1269 N HA -0.020 4.720 4.740 0.000 0.000 0.271 1269 N C 1.092 176.558 175.510 -0.073 0.000 1.272 1269 N CA 0.459 53.461 53.050 -0.079 0.000 0.921 1269 N CB 0.769 39.220 38.487 -0.060 0.000 1.128 1269 N HN 0.771 nan 8.380 nan 0.000 0.481 1270 K N 4.223 124.570 120.400 -0.088 0.000 1.991 1270 K HA -0.186 4.135 4.320 0.000 0.000 0.212 1270 K C 1.626 178.191 176.600 -0.058 0.000 1.049 1270 K CA 1.645 57.888 56.287 -0.072 0.000 0.932 1270 K CB -0.301 32.148 32.500 -0.084 0.000 0.717 1270 K HN 0.590 nan 8.250 nan 0.000 0.441 1271 A N 1.506 124.289 122.820 -0.062 0.000 1.917 1271 A HA -0.221 4.099 4.320 0.000 0.000 0.219 1271 A C 2.230 179.790 177.584 -0.039 0.000 1.182 1271 A CA 1.848 53.856 52.037 -0.048 0.000 0.633 1271 A CB -0.637 18.334 19.000 -0.047 0.000 0.819 1271 A HN 0.439 nan 8.150 nan 0.000 0.448 1272 R N -1.290 119.186 120.500 -0.039 0.000 2.153 1272 R HA 0.077 4.417 4.340 0.000 0.000 0.218 1272 R C 2.123 178.404 176.300 -0.032 0.000 1.072 1272 R CA 0.990 57.070 56.100 -0.033 0.000 0.990 1272 R CB -0.231 30.050 30.300 -0.031 0.000 0.889 1272 R HN 0.615 nan 8.270 nan 0.000 0.452 1273 M N 0.741 120.319 119.600 -0.037 0.000 2.296 1273 M HA -0.106 4.375 4.480 0.000 0.000 0.265 1273 M C 1.593 177.873 176.300 -0.033 0.000 1.064 1273 M CA 1.432 56.711 55.300 -0.034 0.000 1.109 1273 M CB 0.022 32.600 32.600 -0.037 0.000 1.396 1273 M HN 0.140 nan 8.290 nan 0.000 0.430 1274 I N -0.250 120.300 120.570 -0.033 0.000 2.315 1274 I HA -0.222 3.948 4.170 0.000 0.000 0.248 1274 I C 2.141 178.240 176.117 -0.028 0.000 1.117 1274 I CA 1.016 62.298 61.300 -0.031 0.000 1.404 1274 I CB -0.644 37.337 38.000 -0.030 0.000 1.071 1274 I HN 0.230 nan 8.210 nan 0.000 0.419 1275 E N 1.693 121.877 120.200 -0.027 0.000 2.268 1275 E HA -0.163 4.187 4.350 0.000 0.000 0.195 1275 E C 1.944 178.530 176.600 -0.023 0.000 0.995 1275 E CA 1.295 57.681 56.400 -0.024 0.000 0.836 1275 E CB -0.023 29.664 29.700 -0.022 0.000 0.763 1275 E HN 0.347 nan 8.360 nan 0.000 0.491 1276 K N -0.238 120.148 120.400 -0.025 0.000 2.167 1276 K HA 0.025 4.345 4.320 0.000 0.000 0.203 1276 K C 1.821 178.405 176.600 -0.026 0.000 1.052 1276 K CA 0.779 57.052 56.287 -0.024 0.000 0.956 1276 K CB 0.079 32.565 32.500 -0.024 0.000 0.735 1276 K HN 0.163 nan 8.250 nan 0.000 0.451 1277 I N 1.085 121.637 120.570 -0.030 0.000 2.252 1277 I HA -0.163 4.007 4.170 0.000 0.000 0.245 1277 I C 2.338 178.438 176.117 -0.029 0.000 1.102 1277 I CA 1.096 62.376 61.300 -0.034 0.000 1.385 1277 I CB -1.014 36.962 38.000 -0.039 0.000 1.064 1277 I HN 0.067 nan 8.210 nan 0.000 0.414 1278 A N 0.027 122.832 122.820 -0.026 0.000 2.121 1278 A HA -0.193 4.127 4.320 0.000 0.000 0.218 1278 A C 2.295 179.867 177.584 -0.020 0.000 1.154 1278 A CA 1.367 53.391 52.037 -0.023 0.000 0.679 1278 A CB -0.484 18.503 19.000 -0.021 0.000 0.795 1278 A HN 0.498 nan 8.150 nan 0.000 0.458 1279 E N -0.341 119.847 120.200 -0.020 0.000 2.102 1279 E HA 0.036 4.386 4.350 0.000 0.000 0.190 1279 E C 1.804 178.394 176.600 -0.018 0.000 0.971 1279 E CA 0.166 56.556 56.400 -0.017 0.000 0.821 1279 E CB -0.088 29.602 29.700 -0.016 0.000 0.777 1279 E HN 0.577 nan 8.360 nan 0.000 0.460 1280 L N 0.741 121.952 121.223 -0.020 0.000 2.079 1280 L HA -0.181 4.159 4.340 0.000 0.000 0.210 1280 L C 2.335 179.193 176.870 -0.020 0.000 1.081 1280 L CA 0.944 55.771 54.840 -0.021 0.000 0.752 1280 L CB -0.349 41.694 42.059 -0.026 0.000 0.896 1280 L HN 0.165 nan 8.230 nan 0.000 0.433 1281 V N -1.011 118.890 119.914 -0.021 0.000 2.535 1281 V HA -0.150 3.970 4.120 0.000 0.000 0.246 1281 V C 2.503 178.587 176.094 -0.016 0.000 1.045 1281 V CA 1.192 63.480 62.300 -0.020 0.000 1.058 1281 V CB -0.571 31.239 31.823 -0.021 0.000 0.689 1281 V HN 0.382 nan 8.190 nan 0.000 0.461 1282 R N 0.113 120.603 120.500 -0.016 0.000 2.090 1282 R HA -0.114 4.226 4.340 0.000 0.000 0.228 1282 R C 1.651 177.943 176.300 -0.012 0.000 1.110 1282 R CA 1.385 57.477 56.100 -0.013 0.000 0.973 1282 R CB -0.116 30.176 30.300 -0.013 0.000 0.869 1282 R HN 0.420 nan 8.270 nan 0.000 0.440 1283 D N 0.363 120.755 120.400 -0.012 0.000 2.349 1283 D HA -0.007 4.633 4.640 0.000 0.000 0.224 1283 D C -0.059 176.235 176.300 -0.011 0.000 1.029 1283 D CA 0.509 54.502 54.000 -0.011 0.000 0.879 1283 D CB 0.259 41.053 40.800 -0.011 0.000 0.906 1283 D HN 0.098 nan 8.370 nan 0.000 0.528 1284 K N -0.415 119.978 120.400 -0.012 0.000 3.218 1284 K HA -0.185 4.135 4.320 0.000 0.000 0.276 1284 K C 0.618 177.211 176.600 -0.012 0.000 1.173 1284 K CA 0.357 56.637 56.287 -0.011 0.000 0.812 1284 K CB -0.756 31.738 32.500 -0.010 0.000 1.275 1284 K HN 0.199 nan 8.250 nan 0.000 0.504 1285 K N -0.258 120.134 120.400 -0.013 0.000 2.361 1285 K HA 0.217 4.537 4.320 0.000 0.000 0.194 1285 K C 0.702 177.292 176.600 -0.016 0.000 1.032 1285 K CA 0.405 56.684 56.287 -0.013 0.000 1.048 1285 K CB 0.538 33.031 32.500 -0.013 0.000 0.842 1285 K HN 0.288 nan 8.250 nan 0.000 0.526 1286 I N 1.701 122.260 120.570 -0.018 0.000 2.827 1286 I HA 0.102 4.273 4.170 0.000 0.000 0.298 1286 I C -2.156 173.949 176.117 -0.021 0.000 1.235 1286 I CA -0.834 60.453 61.300 -0.022 0.000 1.021 1286 I CB 2.203 40.186 38.000 -0.029 0.000 1.259 1286 I HN 0.027 nan 8.210 nan 0.000 0.427 1287 D N 4.054 124.441 120.400 -0.021 0.000 2.433 1287 D HA 0.733 5.373 4.640 0.000 0.000 0.236 1287 D C 0.404 176.692 176.300 -0.020 0.000 1.026 1287 D CA -0.019 53.970 54.000 -0.018 0.000 0.884 1287 D CB 1.953 42.745 40.800 -0.015 0.000 1.384 1287 D HN 0.918 nan 8.370 nan 0.000 0.477 1288 G N 0.291 109.081 108.800 -0.017 0.000 2.176 1288 G HA2 -0.222 3.738 3.960 0.000 0.000 0.232 1288 G HA3 -0.222 3.738 3.960 0.000 0.000 0.232 1288 G C -0.090 174.798 174.900 -0.019 0.000 0.986 1288 G CA -0.126 44.963 45.100 -0.017 0.000 0.643 1288 G HN 0.500 nan 8.290 nan 0.000 0.522 1289 I N 2.980 123.538 120.570 -0.021 0.000 2.293 1289 I HA 0.293 4.463 4.170 0.000 0.000 0.299 1289 I C 1.821 177.927 176.117 -0.018 0.000 1.153 1289 I CA 0.722 62.009 61.300 -0.023 0.000 1.302 1289 I CB 0.498 38.482 38.000 -0.026 0.000 1.460 1289 I HN 0.112 nan 8.210 nan 0.000 0.552 1290 T N 2.541 117.085 114.554 -0.017 0.000 2.821 1290 T HA -0.052 4.298 4.350 0.000 0.000 0.267 1290 T C 0.650 175.342 174.700 -0.014 0.000 1.046 1290 T CA 1.083 63.175 62.100 -0.014 0.000 1.139 1290 T CB -0.071 68.790 68.868 -0.012 0.000 0.871 1290 T HN 0.528 nan 8.240 nan 0.000 0.454 1291 D N -1.310 119.081 120.400 -0.015 0.000 2.643 1291 D HA 0.552 5.192 4.640 0.000 0.000 0.283 1291 D C -2.081 174.208 176.300 -0.018 0.000 1.242 1291 D CA -0.754 53.237 54.000 -0.015 0.000 0.863 1291 D CB 1.654 42.447 40.800 -0.013 0.000 1.382 1291 D HN -0.054 nan 8.370 nan 0.000 0.444 1292 L N 1.627 122.840 121.223 -0.017 0.000 2.595 1292 L HA 0.472 4.812 4.340 0.000 0.000 0.259 1292 L C -1.300 175.559 176.870 -0.018 0.000 1.033 1292 L CA -0.131 54.697 54.840 -0.020 0.000 0.901 1292 L CB 0.805 42.851 42.059 -0.021 0.000 1.151 1292 L HN 0.356 nan 8.230 nan 0.000 0.453 1293 R N 1.716 122.206 120.500 -0.017 0.000 2.589 1293 R HA 0.487 4.828 4.340 0.000 0.000 0.293 1293 R C -1.158 175.133 176.300 -0.016 0.000 0.963 1293 R CA -0.923 55.168 56.100 -0.015 0.000 0.905 1293 R CB 1.836 32.128 30.300 -0.012 0.000 1.144 1293 R HN 0.373 nan 8.270 nan 0.000 0.459 1294 D N 1.819 122.209 120.400 -0.017 0.000 2.392 1294 D HA 0.078 4.718 4.640 0.000 0.000 0.228 1294 D C -0.558 175.733 176.300 -0.014 0.000 1.074 1294 D CA -0.103 53.886 54.000 -0.018 0.000 0.838 1294 D CB 1.182 41.969 40.800 -0.022 0.000 1.067 1294 D HN 0.480 nan 8.370 nan 0.000 0.511 1295 E N 2.107 122.300 120.200 -0.012 0.000 2.939 1295 E HA 0.168 4.518 4.350 0.000 0.000 0.215 1295 E C -0.528 176.068 176.600 -0.006 0.000 1.025 1295 E CA -0.357 56.038 56.400 -0.008 0.000 1.259 1295 E CB 0.417 30.114 29.700 -0.006 0.000 1.228 1295 E HN 0.292 nan 8.360 nan 0.000 0.443 1296 T N 0.369 114.918 114.554 -0.009 0.000 2.913 1296 T HA 0.384 4.734 4.350 0.000 0.000 0.297 1296 T C -0.091 174.607 174.700 -0.002 0.000 1.029 1296 T CA -0.258 61.838 62.100 -0.006 0.000 1.104 1296 T CB 1.318 70.179 68.868 -0.013 0.000 0.964 1296 T HN 0.280 nan 8.240 nan 0.000 0.532 1297 S N 0.924 116.627 115.700 0.004 0.000 2.643 1297 S HA 0.460 4.930 4.470 0.000 0.000 0.270 1297 S C 0.732 175.341 174.600 0.015 0.000 1.166 1297 S CA -1.057 57.147 58.200 0.008 0.000 0.815 1297 S CB 0.661 63.865 63.200 0.007 0.000 1.139 1297 S HN 0.422 nan 8.310 nan 0.000 0.472 1298 L N 0.286 121.520 121.223 0.018 0.000 2.044 1298 L HA -0.029 4.312 4.340 0.000 0.000 0.205 1298 L C 2.683 179.565 176.870 0.021 0.000 1.075 1298 L CA 1.165 56.019 54.840 0.023 0.000 0.747 1298 L CB -0.750 41.324 42.059 0.025 0.000 0.903 1298 L HN 0.628 nan 8.230 nan 0.000 0.435 1299 R N -0.104 120.405 120.500 0.016 0.000 2.096 1299 R HA -0.129 4.212 4.340 0.000 0.000 0.240 1299 R C 2.150 178.459 176.300 0.014 0.000 1.139 1299 R CA 2.087 58.195 56.100 0.014 0.000 0.952 1299 R CB -1.405 28.901 30.300 0.011 0.000 0.854 1299 R HN 0.320 nan 8.270 nan 0.000 0.436 1300 T N -1.397 113.165 114.554 0.013 0.000 3.065 1300 T HA 0.494 4.844 4.350 0.000 0.000 0.234 1300 T C 0.822 175.531 174.700 0.016 0.000 1.017 1300 T CA 0.854 62.961 62.100 0.013 0.000 1.292 1300 T CB -0.137 68.737 68.868 0.010 0.000 1.005 1300 T HN 0.533 nan 8.240 nan 0.000 0.423 1301 G N 0.136 108.945 108.800 0.015 0.000 2.346 1301 G HA2 0.169 4.129 3.960 0.000 0.000 0.294 1301 G HA3 0.169 4.129 3.960 0.000 0.000 0.294 1301 G C -1.111 173.797 174.900 0.012 0.000 1.294 1301 G CA -0.658 44.453 45.100 0.019 0.000 0.962 1301 G HN 0.459 nan 8.290 nan 0.000 0.508 1302 V N 0.452 120.373 119.914 0.012 0.000 2.555 1302 V HA 0.333 4.454 4.120 0.000 0.000 0.299 1302 V C 0.887 176.982 176.094 0.003 0.000 1.012 1302 V CA 1.407 63.709 62.300 0.003 0.000 1.180 1302 V CB 0.208 32.034 31.823 0.005 0.000 0.887 1302 V HN 0.954 nan 8.190 nan 0.000 0.476 1303 R N 4.054 124.553 120.500 -0.002 0.000 2.695 1303 R HA 0.517 4.857 4.340 0.000 0.000 0.288 1303 R C -1.759 174.537 176.300 -0.007 0.000 1.344 1303 R CA -0.472 55.627 56.100 -0.002 0.000 1.005 1303 R CB 1.704 32.004 30.300 0.001 0.000 1.233 1303 R HN 0.551 nan 8.270 nan 0.000 0.442 1304 V N 3.665 123.574 119.914 -0.009 0.000 2.347 1304 V HA 0.439 4.559 4.120 0.000 0.000 0.280 1304 V C 0.110 176.196 176.094 -0.015 0.000 1.021 1304 V CA -0.908 61.384 62.300 -0.014 0.000 0.847 1304 V CB 1.434 33.246 31.823 -0.018 0.000 0.990 1304 V HN 0.357 nan 8.190 nan 0.000 0.444 1305 V N 6.473 126.378 119.914 -0.015 0.000 2.350 1305 V HA 0.529 4.649 4.120 0.000 0.000 0.276 1305 V C -0.329 175.754 176.094 -0.019 0.000 1.028 1305 V CA -0.248 62.043 62.300 -0.015 0.000 0.860 1305 V CB 0.945 32.761 31.823 -0.012 0.000 0.990 1305 V HN 0.781 nan 8.190 nan 0.000 0.453 1306 I N 3.495 124.052 120.570 -0.023 0.000 2.439 1306 I HA 0.485 4.655 4.170 0.000 0.000 0.283 1306 I C -0.523 175.579 176.117 -0.024 0.000 1.023 1306 I CA -0.496 60.788 61.300 -0.026 0.000 1.100 1306 I CB 1.470 39.449 38.000 -0.036 0.000 1.238 1306 I HN 0.343 nan 8.210 nan 0.000 0.445 1307 D N 5.287 125.675 120.400 -0.020 0.000 2.302 1307 D HA 0.413 5.053 4.640 0.000 0.000 0.248 1307 D C -0.119 176.169 176.300 -0.019 0.000 1.094 1307 D CA -0.164 53.825 54.000 -0.017 0.000 0.897 1307 D CB 1.921 42.713 40.800 -0.014 0.000 1.200 1307 D HN 0.168 nan 8.370 nan 0.000 0.429 1308 V N 2.209 122.112 119.914 -0.017 0.000 2.539 1308 V HA 0.324 4.444 4.120 0.000 0.000 0.292 1308 V C 0.937 177.023 176.094 -0.013 0.000 1.045 1308 V CA -0.927 61.363 62.300 -0.017 0.000 0.945 1308 V CB 1.467 33.280 31.823 -0.017 0.000 0.993 1308 V HN 0.419 nan 8.190 nan 0.000 0.464 1309 R N 2.242 122.734 120.500 -0.013 0.000 2.861 1309 R HA 0.088 4.429 4.340 0.000 0.000 0.268 1309 R C 0.288 176.583 176.300 -0.009 0.000 1.027 1309 R CA -0.105 55.989 56.100 -0.010 0.000 1.163 1309 R CB 0.315 30.609 30.300 -0.010 0.000 1.060 1309 R HN 0.645 nan 8.270 nan 0.000 0.483 1310 K N 1.881 122.277 120.400 -0.007 0.000 2.451 1310 K HA -0.119 4.201 4.320 0.000 0.000 0.280 1310 K C -0.255 176.342 176.600 -0.005 0.000 1.020 1310 K CA 0.692 56.976 56.287 -0.006 0.000 1.008 1310 K CB 0.331 32.828 32.500 -0.005 0.000 0.917 1310 K HN 0.684 nan 8.250 nan 0.000 0.478 1311 D N -0.502 119.895 120.400 -0.004 0.000 2.946 1311 D HA -0.186 4.454 4.640 0.000 0.000 0.202 1311 D C -0.368 175.930 176.300 -0.004 0.000 1.068 1311 D CA 1.467 55.465 54.000 -0.004 0.000 1.011 1311 D CB -0.768 40.030 40.800 -0.003 0.000 1.105 1311 D HN 0.684 nan 8.370 nan 0.000 0.425 1312 A N 1.083 123.899 122.820 -0.006 0.000 2.451 1312 A HA 0.173 4.494 4.320 0.000 0.000 0.266 1312 A C 0.697 178.277 177.584 -0.007 0.000 1.119 1312 A CA 0.017 52.049 52.037 -0.008 0.000 0.786 1312 A CB 0.129 19.123 19.000 -0.010 0.000 1.061 1312 A HN 0.233 nan 8.150 nan 0.000 0.503 1313 N N 2.483 121.179 118.700 -0.006 0.000 2.417 1313 N HA 0.103 4.843 4.740 0.000 0.000 0.272 1313 N C 0.917 176.422 175.510 -0.008 0.000 1.304 1313 N CA 0.505 53.552 53.050 -0.004 0.000 0.906 1313 N CB 0.517 39.003 38.487 -0.001 0.000 1.135 1313 N HN 0.682 nan 8.380 nan 0.000 0.483 1314 A N 2.855 125.671 122.820 -0.008 0.000 2.307 1314 A HA 0.016 4.336 4.320 0.000 0.000 0.218 1314 A C 1.913 179.490 177.584 -0.011 0.000 1.228 1314 A CA 0.018 52.046 52.037 -0.014 0.000 0.857 1314 A CB 0.107 19.098 19.000 -0.015 0.000 0.897 1314 A HN 0.632 nan 8.150 nan 0.000 0.495 1315 S N -0.946 114.754 115.700 0.000 0.000 2.446 1315 S HA -0.041 4.429 4.470 0.000 0.000 0.225 1315 S C 1.808 176.414 174.600 0.011 0.000 1.016 1315 S CA 1.267 59.474 58.200 0.013 0.000 0.943 1315 S CB -0.181 63.030 63.200 0.019 0.000 0.786 1315 S HN 0.304 nan 8.310 nan 0.000 0.508 1316 V N 2.275 122.190 119.914 0.001 0.000 2.270 1316 V HA -0.087 4.033 4.120 0.000 0.000 0.245 1316 V C 2.053 178.135 176.094 -0.019 0.000 1.043 1316 V CA 1.680 63.979 62.300 -0.002 0.000 1.014 1316 V CB -0.566 31.254 31.823 -0.004 0.000 0.645 1316 V HN 0.512 nan 8.190 nan 0.000 0.447 1317 I N -0.422 120.128 120.570 -0.033 0.000 2.850 1317 I HA -0.210 3.961 4.170 0.000 0.000 0.266 1317 I C 2.161 178.213 176.117 -0.107 0.000 1.257 1317 I CA 0.905 62.169 61.300 -0.060 0.000 1.465 1317 I CB -0.341 37.627 38.000 -0.054 0.000 1.091 1317 I HN 0.301 nan 8.210 nan 0.000 0.467 1318 L N 1.142 122.309 121.223 -0.092 0.000 2.004 1318 L HA -0.066 4.274 4.340 0.000 0.000 0.205 1318 L C 2.124 178.860 176.870 -0.223 0.000 1.089 1318 L CA 1.730 56.467 54.840 -0.171 0.000 0.756 1318 L CB -0.635 41.407 42.059 -0.028 0.000 0.900 1318 L HN 0.167 nan 8.230 nan 0.000 0.440 1319 N N 0.316 119.041 118.700 0.043 0.000 2.588 1319 N HA -0.193 4.547 4.740 0.000 0.000 0.190 1319 N C 1.250 176.809 175.510 0.081 0.000 1.094 1319 N CA 0.763 53.934 53.050 0.201 0.000 0.921 1319 N CB -0.537 38.046 38.487 0.160 0.000 0.959 1319 N HN 0.437 nan 8.380 nan 0.000 0.448 1320 N N 1.212 119.894 118.700 -0.031 0.000 2.173 1320 N HA 0.042 4.783 4.740 0.000 0.000 0.184 1320 N C 1.714 177.177 175.510 -0.078 0.000 1.025 1320 N CA 0.521 53.547 53.050 -0.040 0.000 0.852 1320 N CB -0.110 38.347 38.487 -0.050 0.000 0.998 1320 N HN 0.203 nan 8.380 nan 0.000 0.427 1321 L N -0.242 120.861 121.223 -0.199 0.000 2.376 1321 L HA -0.063 4.278 4.340 0.000 0.000 0.219 1321 L C 1.410 178.169 176.870 -0.184 0.000 1.133 1321 L CA 0.431 55.139 54.840 -0.221 0.000 0.816 1321 L CB -0.292 41.589 42.059 -0.296 0.000 0.933 1321 L HN 0.164 nan 8.230 nan 0.000 0.449 1322 Y N -0.205 120.090 120.300 -0.008 0.000 2.439 1322 Y HA -0.145 4.405 4.550 0.000 0.000 0.292 1322 Y C 2.297 178.193 175.900 -0.007 0.000 1.130 1322 Y CA 0.709 58.804 58.100 -0.008 0.000 1.254 1322 Y CB -0.225 38.233 38.460 -0.005 0.000 1.000 1322 Y HN 0.016 nan 8.280 nan 0.000 0.554 1323 K N -0.609 119.860 120.400 0.113 0.000 2.276 1323 K HA 0.074 4.394 4.320 0.000 0.000 0.198 1323 K C 1.639 178.257 176.600 0.030 0.000 1.052 1323 K CA 0.553 56.880 56.287 0.067 0.000 0.984 1323 K CB 0.122 32.655 32.500 0.055 0.000 0.836 1323 K HN 0.215 nan 8.250 nan 0.000 0.490 1324 Q N 0.052 119.857 119.800 0.008 0.000 2.425 1324 Q HA 0.067 4.408 4.340 0.000 0.000 0.204 1324 Q C 0.043 176.037 176.000 -0.010 0.000 0.933 1324 Q CA 0.705 56.505 55.803 -0.007 0.000 0.939 1324 Q CB 0.675 29.401 28.738 -0.020 0.000 1.044 1324 Q HN 0.351 nan 8.270 nan 0.000 0.513 1325 T N -3.991 110.559 114.554 -0.007 0.000 2.591 1325 T HA 0.323 4.673 4.350 0.000 0.000 0.274 1325 T C -2.247 172.455 174.700 0.004 0.000 0.945 1325 T CA -1.303 60.792 62.100 -0.009 0.000 1.087 1325 T CB 0.325 69.179 68.868 -0.024 0.000 1.416 1325 T HN -0.326 nan 8.240 nan 0.000 0.514 1326 P HA 0.114 nan 4.420 nan 0.000 0.199 1326 P C 1.594 178.911 177.300 0.028 0.000 1.146 1326 P CA 0.474 63.575 63.100 0.001 0.000 0.905 1326 P CB -0.289 31.401 31.700 -0.017 0.000 0.737 1327 L N -2.146 119.095 121.223 0.030 0.000 3.383 1327 L HA -0.309 4.031 4.340 0.000 0.000 0.230 1327 L C 0.933 177.902 176.870 0.165 0.000 4.397 1327 L CA 2.214 57.105 54.840 0.085 0.000 0.401 1327 L CB -1.242 40.855 42.059 0.063 0.000 3.485 1327 L HN 0.234 nan 8.230 nan 0.000 0.444 1328 Q N 0.215 120.129 119.800 0.190 0.000 2.560 1328 Q HA 0.282 4.622 4.340 0.000 0.000 0.238 1328 Q C -0.888 175.144 176.000 0.053 0.000 1.079 1328 Q CA -0.084 55.786 55.803 0.113 0.000 0.866 1328 Q CB 0.432 29.248 28.738 0.131 0.000 1.153 1328 Q HN 0.415 nan 8.270 nan 0.000 0.530 1329 T N 0.956 115.521 114.554 0.018 0.000 2.934 1329 T HA 0.420 4.770 4.350 0.000 0.000 0.283 1329 T C 0.154 174.864 174.700 0.017 0.000 1.005 1329 T CA -0.523 61.581 62.100 0.007 0.000 1.041 1329 T CB 1.445 70.302 68.868 -0.018 0.000 1.042 1329 T HN 0.539 nan 8.240 nan 0.000 0.505 1330 S N 0.633 116.355 115.700 0.037 0.000 2.747 1330 S HA 0.778 5.248 4.470 0.000 0.000 0.300 1330 S C -1.090 173.605 174.600 0.158 0.000 1.121 1330 S CA -0.889 57.358 58.200 0.078 0.000 0.995 1330 S CB 0.947 64.177 63.200 0.051 0.000 1.113 1330 S HN 0.596 nan 8.310 nan 0.000 0.547 1331 F N 0.801 120.756 119.950 0.007 0.000 2.902 1331 F HA 0.519 5.046 4.527 0.000 0.000 0.368 1331 F C 0.315 176.142 175.800 0.046 0.000 1.202 1331 F CA -0.486 57.533 58.000 0.032 0.000 1.109 1331 F CB 0.678 39.738 39.000 0.099 0.000 1.418 1331 F HN 0.898 nan 8.300 nan 0.000 0.527 1332 G N 4.240 112.878 108.800 -0.270 0.000 2.334 1332 G HA2 0.418 4.378 3.960 0.000 0.000 0.261 1332 G HA3 0.418 4.378 3.960 0.000 0.000 0.261 1332 G C -0.880 173.859 174.900 -0.268 0.000 1.257 1332 G CA -0.273 44.709 45.100 -0.198 0.000 0.935 1332 G HN 0.435 nan 8.290 nan 0.000 0.480 1333 V N 4.020 123.903 119.914 -0.052 0.000 2.318 1333 V HA 0.212 4.332 4.120 0.000 0.000 0.271 1333 V C 0.299 176.409 176.094 0.027 0.000 1.030 1333 V CA -0.717 61.603 62.300 0.035 0.000 0.844 1333 V CB 0.734 32.663 31.823 0.177 0.000 1.015 1333 V HN 0.808 nan 8.190 nan 0.000 0.460 1334 N N 5.055 123.756 118.700 0.001 0.000 2.476 1334 N HA 0.436 5.176 4.740 0.000 0.000 0.257 1334 N C -0.092 175.440 175.510 0.037 0.000 0.970 1334 N CA -0.578 52.480 53.050 0.013 0.000 0.938 1334 N CB 0.914 39.392 38.487 -0.014 0.000 1.144 1334 N HN 0.571 nan 8.380 nan 0.000 0.500 1335 M N 5.008 124.639 119.600 0.052 0.000 3.590 1335 M HA 0.263 4.743 4.480 0.000 0.000 0.214 1335 M C -0.692 175.625 176.300 0.029 0.000 1.306 1335 M CA -0.044 55.290 55.300 0.057 0.000 1.479 1335 M CB -0.314 32.333 32.600 0.078 0.000 1.083 1335 M HN 0.383 nan 8.290 nan 0.000 0.617 1336 I N 1.445 122.026 120.570 0.018 0.000 2.307 1336 I HA 0.497 4.667 4.170 0.000 0.000 0.289 1336 I C 0.193 176.305 176.117 -0.008 0.000 1.021 1336 I CA -0.383 60.919 61.300 0.003 0.000 1.224 1336 I CB 1.017 39.020 38.000 0.004 0.000 1.376 1336 I HN 0.433 nan 8.210 nan 0.000 0.470 1337 A N 6.871 129.675 122.820 -0.026 0.000 2.437 1337 A HA 0.806 5.126 4.320 0.000 0.000 0.288 1337 A C -0.867 176.677 177.584 -0.066 0.000 1.201 1337 A CA -0.706 51.306 52.037 -0.042 0.000 0.795 1337 A CB 1.254 20.226 19.000 -0.048 0.000 1.359 1337 A HN 0.582 nan 8.150 nan 0.000 0.435 1338 L N 0.975 122.152 121.223 -0.077 0.000 2.290 1338 L HA 0.469 4.809 4.340 0.000 0.000 0.284 1338 L C -1.036 175.747 176.870 -0.145 0.000 1.078 1338 L CA -0.479 54.301 54.840 -0.099 0.000 0.815 1338 L CB 1.241 43.252 42.059 -0.080 0.000 1.162 1338 L HN 0.432 nan 8.230 nan 0.000 0.435 1339 V N 2.625 122.432 119.914 -0.178 0.000 2.443 1339 V HA 0.372 4.492 4.120 0.000 0.000 0.293 1339 V C -0.063 175.911 176.094 -0.200 0.000 1.021 1339 V CA -0.842 61.318 62.300 -0.233 0.000 0.848 1339 V CB 1.282 32.911 31.823 -0.323 0.000 0.998 1339 V HN 0.896 nan 8.190 nan 0.000 0.424 1340 N N 2.918 121.519 118.700 -0.165 0.000 2.828 1340 N HA -0.198 4.542 4.740 0.000 0.000 0.248 1340 N C 1.108 176.503 175.510 -0.193 0.000 1.044 1340 N CA 1.898 54.858 53.050 -0.150 0.000 0.851 1340 N CB -1.384 37.014 38.487 -0.149 0.000 1.136 1340 N HN 1.933 nan 8.380 nan 0.000 0.572 1341 G N -0.560 108.128 108.800 -0.187 0.000 2.149 1341 G HA2 -0.336 3.624 3.960 0.000 0.000 0.235 1341 G HA3 -0.336 3.624 3.960 0.000 0.000 0.235 1341 G C -0.176 174.504 174.900 -0.366 0.000 1.018 1341 G CA 0.447 45.429 45.100 -0.198 0.000 0.728 1341 G HN 0.604 nan 8.290 nan 0.000 0.508 1342 R N 0.082 120.381 120.500 -0.335 0.000 2.532 1342 R HA 0.472 4.812 4.340 0.000 0.000 0.297 1342 R C -2.878 173.327 176.300 -0.158 0.000 0.984 1342 R CA -1.983 53.906 56.100 -0.352 0.000 0.884 1342 R CB 2.289 32.347 30.300 -0.404 0.000 1.182 1342 R HN 0.042 nan 8.270 nan 0.000 0.442 1343 P HA 0.041 nan 4.420 nan 0.000 0.268 1343 P C -1.173 176.104 177.300 -0.038 0.000 1.205 1343 P CA -0.105 62.973 63.100 -0.036 0.000 0.771 1343 P CB 0.649 32.357 31.700 0.012 0.000 0.858 1344 K N 2.566 122.941 120.400 -0.042 0.000 2.550 1344 K HA 0.375 4.695 4.320 0.000 0.000 0.252 1344 K C -1.591 174.999 176.600 -0.017 0.000 0.943 1344 K CA -0.945 55.322 56.287 -0.033 0.000 0.806 1344 K CB 1.266 33.731 32.500 -0.058 0.000 1.289 1344 K HN 0.230 nan 8.250 nan 0.000 0.435 1345 L N 7.027 128.250 121.223 0.001 0.000 2.315 1345 L HA 0.453 4.793 4.340 0.000 0.000 0.283 1345 L C -0.794 176.086 176.870 0.017 0.000 1.089 1345 L CA 0.082 54.929 54.840 0.013 0.000 0.833 1345 L CB 0.179 42.251 42.059 0.020 0.000 1.170 1345 L HN 0.547 nan 8.230 nan 0.000 0.442 1346 I N 2.330 122.913 120.570 0.022 0.000 2.545 1346 I HA 0.601 4.771 4.170 0.000 0.000 0.292 1346 I C -0.280 175.862 176.117 0.041 0.000 1.040 1346 I CA -0.967 60.349 61.300 0.028 0.000 1.068 1346 I CB 1.774 39.785 38.000 0.018 0.000 1.251 1346 I HN 0.710 nan 8.210 nan 0.000 0.424 1347 N N 4.654 123.380 118.700 0.042 0.000 2.285 1347 N HA 0.084 4.824 4.740 0.000 0.000 0.262 1347 N C 0.601 176.121 175.510 0.016 0.000 1.299 1347 N CA -0.607 52.471 53.050 0.046 0.000 0.930 1347 N CB 0.495 39.010 38.487 0.046 0.000 1.157 1347 N HN 0.773 nan 8.380 nan 0.000 0.532 1348 L N -0.419 120.792 121.223 -0.019 0.000 2.005 1348 L HA -0.007 4.334 4.340 0.000 0.000 0.207 1348 L C 2.266 179.072 176.870 -0.106 0.000 1.072 1348 L CA 1.818 56.579 54.840 -0.132 0.000 0.744 1348 L CB -1.151 40.706 42.059 -0.337 0.000 0.895 1348 L HN 0.813 nan 8.230 nan 0.000 0.433 1349 K N -0.247 120.107 120.400 -0.076 0.000 2.034 1349 K HA -0.281 4.039 4.320 0.000 0.000 0.214 1349 K C 1.870 178.459 176.600 -0.017 0.000 1.051 1349 K CA 2.288 58.544 56.287 -0.052 0.000 0.931 1349 K CB -0.293 32.187 32.500 -0.034 0.000 0.715 1349 K HN 0.497 nan 8.250 nan 0.000 0.446 1350 E N -0.150 120.058 120.200 0.014 0.000 2.164 1350 E HA -0.299 4.052 4.350 0.000 0.000 0.206 1350 E C 1.976 178.658 176.600 0.137 0.000 1.032 1350 E CA 1.532 57.981 56.400 0.081 0.000 0.832 1350 E CB -0.314 29.439 29.700 0.088 0.000 0.742 1350 E HN 0.525 nan 8.360 nan 0.000 0.460 1351 A N 0.670 123.525 122.820 0.059 0.000 1.908 1351 A HA -0.171 4.149 4.320 0.000 0.000 0.218 1351 A C 2.121 179.757 177.584 0.087 0.000 1.181 1351 A CA 1.532 53.601 52.037 0.052 0.000 0.627 1351 A CB -0.359 18.627 19.000 -0.024 0.000 0.818 1351 A HN 0.137 nan 8.150 nan 0.000 0.445 1352 L N -1.191 120.063 121.223 0.053 0.000 2.463 1352 L HA 0.087 4.428 4.340 0.000 0.000 0.219 1352 L C 2.130 179.056 176.870 0.093 0.000 1.088 1352 L CA 0.264 55.167 54.840 0.105 0.000 0.849 1352 L CB -0.264 41.824 42.059 0.047 0.000 1.012 1352 L HN 0.111 nan 8.230 nan 0.000 0.468 1353 V N -0.158 119.765 119.914 0.015 0.000 2.324 1353 V HA -0.326 3.794 4.120 0.000 0.000 0.250 1353 V C 2.609 178.629 176.094 -0.125 0.000 1.060 1353 V CA 1.905 64.154 62.300 -0.084 0.000 1.042 1353 V CB -0.730 30.991 31.823 -0.170 0.000 0.650 1353 V HN 0.529 nan 8.190 nan 0.000 0.450 1354 H N -1.884 117.200 119.070 0.025 0.000 2.403 1354 H HA -0.111 4.445 4.556 0.000 0.000 0.298 1354 H C 2.189 177.546 175.328 0.049 0.000 1.059 1354 H CA 2.038 58.099 56.048 0.022 0.000 1.363 1354 H CB -0.127 29.642 29.762 0.011 0.000 1.410 1354 H HN 0.619 nan 8.280 nan 0.000 0.528 1355 Y N 1.631 121.987 120.300 0.094 0.000 2.220 1355 Y HA -0.162 4.388 4.550 0.000 0.000 0.291 1355 Y C 2.509 178.447 175.900 0.063 0.000 1.129 1355 Y CA 0.916 59.054 58.100 0.063 0.000 1.161 1355 Y CB -0.407 38.062 38.460 0.014 0.000 0.997 1355 Y HN 0.054 nan 8.280 nan 0.000 0.522 1356 L N 0.774 121.897 121.223 -0.167 0.000 2.127 1356 L HA -0.169 4.171 4.340 0.000 0.000 0.211 1356 L C 2.004 178.745 176.870 -0.216 0.000 1.089 1356 L CA 2.229 56.929 54.840 -0.233 0.000 0.757 1356 L CB -0.588 41.435 42.059 -0.060 0.000 0.899 1356 L HN 0.249 nan 8.230 nan 0.000 0.434 1357 E N -1.259 118.862 120.200 -0.131 0.000 2.112 1357 E HA -0.202 4.148 4.350 0.000 0.000 0.190 1357 E C 2.073 178.633 176.600 -0.068 0.000 0.979 1357 E CA 1.154 57.501 56.400 -0.089 0.000 0.814 1357 E CB -0.167 29.496 29.700 -0.061 0.000 0.762 1357 E HN 0.709 nan 8.360 nan 0.000 0.460 1358 H N 0.495 119.466 119.070 -0.165 0.000 2.253 1358 H HA -0.116 4.440 4.556 0.000 0.000 0.296 1358 H C 1.915 177.117 175.328 -0.211 0.000 1.074 1358 H CA 2.302 58.253 56.048 -0.162 0.000 1.263 1358 H CB -0.068 29.608 29.762 -0.144 0.000 1.363 1358 H HN 0.069 nan 8.280 nan 0.000 0.489 1359 Q N 0.888 120.461 119.800 -0.378 0.000 2.062 1359 Q HA -0.209 4.132 4.340 0.000 0.000 0.209 1359 Q C 2.329 178.172 176.000 -0.261 0.000 0.996 1359 Q CA 1.816 57.391 55.803 -0.380 0.000 0.859 1359 Q CB -0.386 28.089 28.738 -0.438 0.000 0.920 1359 Q HN 0.554 nan 8.270 nan 0.000 0.415 1360 K N -0.308 119.968 120.400 -0.207 0.000 2.077 1360 K HA -0.177 4.143 4.320 0.000 0.000 0.213 1360 K C 2.218 178.734 176.600 -0.140 0.000 1.051 1360 K CA 2.006 58.208 56.287 -0.142 0.000 0.929 1360 K CB -0.241 32.192 32.500 -0.112 0.000 0.715 1360 K HN 0.252 nan 8.250 nan 0.000 0.451 1361 T N 0.754 115.209 114.554 -0.166 0.000 2.770 1361 T HA -0.070 4.280 4.350 0.000 0.000 0.263 1361 T C 2.007 176.597 174.700 -0.183 0.000 1.039 1361 T CA 1.218 63.228 62.100 -0.150 0.000 1.142 1361 T CB -0.122 68.667 68.868 -0.132 0.000 0.868 1361 T HN -0.036 nan 8.240 nan 0.000 0.435 1362 V N 1.246 120.984 119.914 -0.294 0.000 2.594 1362 V HA -0.103 4.017 4.120 0.000 0.000 0.253 1362 V C 2.550 178.549 176.094 -0.159 0.000 1.069 1362 V CA 1.083 63.220 62.300 -0.272 0.000 1.082 1362 V CB -0.782 30.808 31.823 -0.387 0.000 0.680 1362 V HN 0.287 nan 8.190 nan 0.000 0.469 1363 V N -0.123 119.706 119.914 -0.141 0.000 2.488 1363 V HA -0.143 3.977 4.120 0.000 0.000 0.246 1363 V C 2.604 178.663 176.094 -0.059 0.000 1.046 1363 V CA 1.999 64.249 62.300 -0.083 0.000 1.053 1363 V CB -0.539 31.239 31.823 -0.075 0.000 0.679 1363 V HN 0.516 nan 8.190 nan 0.000 0.458 1364 R N 0.403 120.860 120.500 -0.070 0.000 2.080 1364 R HA -0.187 4.153 4.340 0.000 0.000 0.236 1364 R C 2.436 178.716 176.300 -0.034 0.000 1.137 1364 R CA 1.911 57.981 56.100 -0.050 0.000 0.943 1364 R CB -0.205 30.062 30.300 -0.055 0.000 0.846 1364 R HN 0.408 nan 8.270 nan 0.000 0.431 1365 R N -0.264 120.209 120.500 -0.045 0.000 2.148 1365 R HA -0.058 4.282 4.340 0.000 0.000 0.223 1365 R C 2.503 178.814 176.300 0.018 0.000 1.088 1365 R CA 1.226 57.315 56.100 -0.019 0.000 0.985 1365 R CB -0.321 29.953 30.300 -0.042 0.000 0.880 1365 R HN 0.263 nan 8.270 nan 0.000 0.451 1366 R N 0.683 121.184 120.500 0.000 0.000 2.096 1366 R HA -0.100 4.240 4.340 0.000 0.000 0.235 1366 R C 1.356 177.710 176.300 0.090 0.000 1.127 1366 R CA 1.842 57.967 56.100 0.042 0.000 0.968 1366 R CB -0.118 30.189 30.300 0.011 0.000 0.861 1366 R HN 0.120 nan 8.270 nan 0.000 0.440 1367 T N 0.481 115.060 114.554 0.042 0.000 2.904 1367 T HA -0.106 4.244 4.350 0.000 0.000 0.267 1367 T C 1.622 176.331 174.700 0.015 0.000 1.059 1367 T CA 1.101 63.215 62.100 0.024 0.000 1.137 1367 T CB -0.118 68.747 68.868 -0.006 0.000 0.879 1367 T HN 0.272 nan 8.240 nan 0.000 0.467 1368 Q N 0.115 119.931 119.800 0.027 0.000 2.002 1368 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 1368 Q C 1.971 178.003 176.000 0.053 0.000 0.988 1368 Q CA 1.757 57.575 55.803 0.024 0.000 0.843 1368 Q CB -0.536 28.220 28.738 0.031 0.000 0.908 1368 Q HN 0.627 nan 8.270 nan 0.000 0.420 1369 Y N 0.986 121.275 120.300 -0.018 0.000 2.081 1369 Y HA -0.300 4.251 4.550 0.000 0.000 0.280 1369 Y C 1.815 177.714 175.900 -0.002 0.000 1.163 1369 Y CA 1.830 59.928 58.100 -0.004 0.000 1.135 1369 Y CB -0.289 38.178 38.460 0.010 0.000 0.970 1369 Y HN 0.203 nan 8.280 nan 0.000 0.498 1370 N N 0.200 118.972 118.700 0.120 0.000 2.443 1370 N HA -0.152 4.588 4.740 0.000 0.000 0.184 1370 N C 1.636 177.091 175.510 -0.092 0.000 1.037 1370 N CA 1.194 54.272 53.050 0.047 0.000 0.896 1370 N CB -0.253 38.316 38.487 0.137 0.000 0.959 1370 N HN 0.437 nan 8.380 nan 0.000 0.442 1371 L N 0.628 121.781 121.223 -0.117 0.000 2.221 1371 L HA 0.141 4.482 4.340 0.000 0.000 0.202 1371 L C 2.172 178.952 176.870 -0.149 0.000 1.074 1371 L CA 0.810 55.556 54.840 -0.156 0.000 0.795 1371 L CB -0.062 41.920 42.059 -0.129 0.000 0.960 1371 L HN -0.105 nan 8.230 nan 0.000 0.458 1372 R N -0.171 120.237 120.500 -0.154 0.000 2.091 1372 R HA -0.206 4.134 4.340 0.000 0.000 0.238 1372 R C 2.231 178.416 176.300 -0.192 0.000 1.136 1372 R CA 1.631 57.634 56.100 -0.162 0.000 0.959 1372 R CB -0.414 29.784 30.300 -0.171 0.000 0.856 1372 R HN 0.318 nan 8.270 nan 0.000 0.437 1373 K N 0.765 121.000 120.400 -0.274 0.000 2.000 1373 K HA -0.230 4.090 4.320 0.000 0.000 0.218 1373 K C 2.082 178.611 176.600 -0.119 0.000 1.053 1373 K CA 1.875 58.020 56.287 -0.236 0.000 0.946 1373 K CB -0.216 32.135 32.500 -0.248 0.000 0.723 1373 K HN 0.161 nan 8.250 nan 0.000 0.446 1374 A N 1.574 124.334 122.820 -0.099 0.000 1.841 1374 A HA -0.235 4.085 4.320 0.000 0.000 0.216 1374 A C 1.985 179.517 177.584 -0.086 0.000 1.199 1374 A CA 2.289 54.282 52.037 -0.073 0.000 0.621 1374 A CB -0.670 18.252 19.000 -0.130 0.000 0.835 1374 A HN 0.439 nan 8.150 nan 0.000 0.445 1375 K N -0.497 119.843 120.400 -0.100 0.000 2.144 1375 K HA -0.220 4.100 4.320 0.000 0.000 0.209 1375 K C 1.511 178.093 176.600 -0.030 0.000 1.047 1375 K CA 1.703 57.945 56.287 -0.074 0.000 0.927 1375 K CB -0.355 32.096 32.500 -0.082 0.000 0.716 1375 K HN 0.489 nan 8.250 nan 0.000 0.454 1376 D N -0.058 120.317 120.400 -0.042 0.000 2.194 1376 D HA -0.098 4.542 4.640 0.000 0.000 0.204 1376 D C 2.009 178.337 176.300 0.047 0.000 0.964 1376 D CA 0.898 54.896 54.000 -0.004 0.000 0.846 1376 D CB 0.044 40.819 40.800 -0.043 0.000 0.962 1376 D HN 0.106 nan 8.370 nan 0.000 0.490 1377 R N 1.296 121.797 120.500 0.002 0.000 2.075 1377 R HA 0.079 4.420 4.340 0.000 0.000 0.226 1377 R C 2.039 178.332 176.300 -0.011 0.000 1.114 1377 R CA 1.530 57.630 56.100 0.001 0.000 0.972 1377 R CB -0.598 29.692 30.300 -0.015 0.000 0.869 1377 R HN -0.013 nan 8.270 nan 0.000 0.437 1378 A N 0.054 122.839 122.820 -0.058 0.000 1.917 1378 A HA -0.280 4.040 4.320 0.000 0.000 0.219 1378 A C 2.129 179.717 177.584 0.006 0.000 1.182 1378 A CA 2.090 54.036 52.037 -0.151 0.000 0.633 1378 A CB -1.106 17.750 19.000 -0.239 0.000 0.819 1378 A HN 0.744 nan 8.150 nan 0.000 0.448 1379 H N -1.255 117.799 119.070 -0.026 0.000 2.457 1379 H HA 0.025 4.581 4.556 0.000 0.000 0.294 1379 H C 1.454 176.802 175.328 0.033 0.000 1.064 1379 H CA 1.640 57.701 56.048 0.021 0.000 1.330 1379 H CB -0.124 29.639 29.762 0.001 0.000 1.395 1379 H HN 0.382 nan 8.280 nan 0.000 0.541 1380 I N -0.094 120.450 120.570 -0.044 0.000 3.059 1380 I HA -0.104 4.066 4.170 0.000 0.000 0.270 1380 I C 1.982 178.071 176.117 -0.047 0.000 1.238 1380 I CA 0.401 61.652 61.300 -0.082 0.000 1.478 1380 I CB -0.025 37.974 38.000 -0.002 0.000 1.097 1380 I HN 0.355 nan 8.210 nan 0.000 0.455 1381 L N -0.164 121.066 121.223 0.012 0.000 2.068 1381 L HA -0.134 4.206 4.340 0.000 0.000 0.204 1381 L C 2.340 179.278 176.870 0.113 0.000 1.076 1381 L CA 1.249 56.141 54.840 0.087 0.000 0.753 1381 L CB -0.444 41.717 42.059 0.169 0.000 0.910 1381 L HN 0.254 nan 8.230 nan 0.000 0.439 1382 E N -0.044 120.253 120.200 0.161 0.000 2.171 1382 E HA -0.220 4.130 4.350 0.000 0.000 0.197 1382 E C 2.037 178.623 176.600 -0.023 0.000 0.997 1382 E CA 1.123 57.584 56.400 0.102 0.000 0.810 1382 E CB -0.284 29.486 29.700 0.117 0.000 0.738 1382 E HN 0.585 nan 8.360 nan 0.000 0.467 1383 G N 1.062 109.803 108.800 -0.097 0.000 2.408 1383 G HA2 -0.195 3.766 3.960 0.000 0.000 0.217 1383 G HA3 -0.195 3.766 3.960 0.000 0.000 0.217 1383 G C 1.549 176.403 174.900 -0.077 0.000 1.150 1383 G CA 0.317 45.347 45.100 -0.117 0.000 0.776 1383 G HN 0.072 nan 8.290 nan 0.000 0.542 1384 L N 0.420 121.614 121.223 -0.049 0.000 2.034 1384 L HA -0.018 4.322 4.340 0.000 0.000 0.203 1384 L C 3.234 180.081 176.870 -0.038 0.000 1.074 1384 L CA 1.346 56.161 54.840 -0.042 0.000 0.748 1384 L CB -0.548 41.500 42.059 -0.019 0.000 0.905 1384 L HN 0.296 nan 8.230 nan 0.000 0.439 1385 R N 0.721 121.207 120.500 -0.025 0.000 2.119 1385 R HA -0.219 4.121 4.340 0.000 0.000 0.246 1385 R C 2.064 178.346 176.300 -0.030 0.000 1.146 1385 R CA 1.729 57.804 56.100 -0.041 0.000 0.962 1385 R CB -0.969 29.286 30.300 -0.076 0.000 0.863 1385 R HN 0.310 nan 8.270 nan 0.000 0.442 1386 I N 1.336 121.900 120.570 -0.011 0.000 2.226 1386 I HA -0.223 3.947 4.170 0.000 0.000 0.245 1386 I C 2.470 178.606 176.117 0.032 0.000 1.100 1386 I CA 1.530 62.861 61.300 0.052 0.000 1.374 1386 I CB -0.346 37.677 38.000 0.039 0.000 1.057 1386 I HN 0.382 nan 8.210 nan 0.000 0.413 1387 A N -0.276 122.496 122.820 -0.080 0.000 2.218 1387 A HA 0.145 4.465 4.320 0.000 0.000 0.209 1387 A C 2.099 179.624 177.584 -0.098 0.000 1.168 1387 A CA 0.437 52.372 52.037 -0.169 0.000 0.804 1387 A CB -0.206 18.666 19.000 -0.212 0.000 0.834 1387 A HN 0.371 nan 8.150 nan 0.000 0.482 1388 L N -1.181 120.007 121.223 -0.058 0.000 2.316 1388 L HA 0.024 4.364 4.340 0.000 0.000 0.207 1388 L C 1.438 178.275 176.870 -0.055 0.000 1.070 1388 L CA 0.496 55.306 54.840 -0.050 0.000 0.820 1388 L CB -0.163 41.869 42.059 -0.045 0.000 0.992 1388 L HN 0.206 nan 8.230 nan 0.000 0.466 1389 D N -0.761 119.592 120.400 -0.078 0.000 2.183 1389 D HA -0.122 4.518 4.640 0.000 0.000 0.203 1389 D C 1.339 177.490 176.300 -0.249 0.000 0.969 1389 D CA 1.212 55.111 54.000 -0.170 0.000 0.842 1389 D CB -0.016 40.650 40.800 -0.223 0.000 0.957 1389 D HN 0.385 nan 8.370 nan 0.000 0.484 1390 H N -0.051 119.028 119.070 0.015 0.000 2.488 1390 H HA 0.144 4.700 4.556 0.000 0.000 0.294 1390 H C 1.623 176.960 175.328 0.014 0.000 1.088 1390 H CA -0.364 55.727 56.048 0.072 0.000 1.086 1390 H CB 0.486 30.395 29.762 0.246 0.000 1.569 1390 H HN 0.046 nan 8.280 nan 0.000 0.548 1391 I N 1.564 122.159 120.570 0.041 0.000 2.236 1391 I HA -0.304 3.867 4.170 0.000 0.000 0.249 1391 I C 1.260 177.391 176.117 0.023 0.000 1.102 1391 I CA 1.691 62.990 61.300 -0.002 0.000 1.365 1391 I CB 0.042 38.031 38.000 -0.019 0.000 1.051 1391 I HN 0.067 nan 8.210 nan 0.000 0.420 1392 D N -0.095 120.336 120.400 0.052 0.000 2.144 1392 D HA -0.217 4.423 4.640 0.000 0.000 0.200 1392 D C 2.155 178.505 176.300 0.083 0.000 0.978 1392 D CA 1.473 55.506 54.000 0.055 0.000 0.833 1392 D CB -0.126 40.706 40.800 0.054 0.000 0.961 1392 D HN 0.548 nan 8.370 nan 0.000 0.470 1393 E N -0.081 120.208 120.200 0.148 0.000 2.216 1393 E HA -0.097 4.253 4.350 0.000 0.000 0.192 1393 E C 1.827 178.556 176.600 0.214 0.000 0.988 1393 E CA 0.354 56.879 56.400 0.209 0.000 0.834 1393 E CB 0.208 30.102 29.700 0.324 0.000 0.772 1393 E HN 0.161 nan 8.360 nan 0.000 0.479 1394 I N 1.220 121.852 120.570 0.104 0.000 2.113 1394 I HA -0.297 3.874 4.170 0.000 0.000 0.238 1394 I C 2.462 178.590 176.117 0.019 0.000 1.070 1394 I CA 1.294 62.578 61.300 -0.026 0.000 1.332 1394 I CB -1.193 36.698 38.000 -0.181 0.000 1.044 1394 I HN 0.227 nan 8.210 nan 0.000 0.402 1395 I N 1.629 122.206 120.570 0.011 0.000 2.194 1395 I HA -0.328 3.842 4.170 0.000 0.000 0.246 1395 I C 2.862 178.995 176.117 0.027 0.000 1.093 1395 I CA 1.992 63.299 61.300 0.011 0.000 1.355 1395 I CB -0.515 37.490 38.000 0.008 0.000 1.046 1395 I HN 0.344 nan 8.210 nan 0.000 0.413 1396 S N 0.054 115.780 115.700 0.044 0.000 2.402 1396 S HA -0.153 4.317 4.470 0.000 0.000 0.229 1396 S C 1.934 176.564 174.600 0.050 0.000 1.021 1396 S CA 1.614 59.840 58.200 0.044 0.000 0.974 1396 S CB -0.969 62.260 63.200 0.049 0.000 0.800 1396 S HN 0.428 nan 8.310 nan 0.000 0.484 1397 T N 3.174 117.772 114.554 0.074 0.000 2.833 1397 T HA 0.077 4.427 4.350 0.000 0.000 0.269 1397 T C 1.763 176.493 174.700 0.050 0.000 1.054 1397 T CA 1.304 63.452 62.100 0.079 0.000 1.135 1397 T CB -0.362 68.592 68.868 0.143 0.000 0.869 1397 T HN 0.377 nan 8.240 nan 0.000 0.466 1398 I N 1.692 122.283 120.570 0.036 0.000 2.162 1398 I HA -0.072 4.098 4.170 0.000 0.000 0.238 1398 I C 2.513 178.641 176.117 0.018 0.000 1.076 1398 I CA 1.316 62.629 61.300 0.021 0.000 1.353 1398 I CB -0.941 37.065 38.000 0.010 0.000 1.063 1398 I HN 0.241 nan 8.210 nan 0.000 0.408 1399 R N 0.980 121.490 120.500 0.017 0.000 2.241 1399 R HA -0.136 4.204 4.340 0.000 0.000 0.224 1399 R C 1.946 178.255 176.300 0.015 0.000 1.101 1399 R CA 0.895 57.003 56.100 0.014 0.000 0.995 1399 R CB -0.244 30.064 30.300 0.013 0.000 0.870 1399 R HN 0.536 nan 8.270 nan 0.000 0.463 1400 E N 0.570 120.781 120.200 0.019 0.000 2.112 1400 E HA -0.006 4.344 4.350 0.000 0.000 0.190 1400 E C 0.558 177.167 176.600 0.015 0.000 0.979 1400 E CA 0.455 56.865 56.400 0.018 0.000 0.814 1400 E CB 0.228 29.941 29.700 0.022 0.000 0.762 1400 E HN 0.154 nan 8.360 nan 0.000 0.460 1401 S N 0.737 116.447 115.700 0.017 0.000 2.632 1401 S HA 0.003 4.473 4.470 0.000 0.000 0.254 1401 S C 0.408 175.015 174.600 0.011 0.000 1.291 1401 S CA 0.449 58.658 58.200 0.015 0.000 0.974 1401 S CB 0.241 63.451 63.200 0.017 0.000 1.016 1401 S HN 0.342 nan 8.310 nan 0.000 0.579 1402 D N -2.185 118.220 120.400 0.009 0.000 2.153 1402 D HA 0.106 4.746 4.640 0.000 0.000 0.388 1402 D C 0.200 176.504 176.300 0.006 0.000 1.014 1402 D CA 0.060 54.065 54.000 0.007 0.000 0.906 1402 D CB -0.239 40.564 40.800 0.006 0.000 1.552 1402 D HN 0.553 nan 8.370 nan 0.000 0.522 1403 T N -1.858 112.701 114.554 0.007 0.000 2.918 1403 T HA 0.307 4.657 4.350 0.000 0.000 0.286 1403 T C 0.276 174.980 174.700 0.007 0.000 1.026 1403 T CA -0.642 61.462 62.100 0.006 0.000 1.031 1403 T CB 2.081 70.952 68.868 0.006 0.000 1.046 1403 T HN -0.188 nan 8.240 nan 0.000 0.479 1404 D N 0.749 121.152 120.400 0.006 0.000 2.178 1404 D HA -0.087 4.553 4.640 0.000 0.000 0.201 1404 D C 1.668 177.973 176.300 0.008 0.000 0.980 1404 D CA 1.102 55.106 54.000 0.006 0.000 0.842 1404 D CB 0.210 41.013 40.800 0.004 0.000 0.948 1404 D HN 0.659 nan 8.370 nan 0.000 0.472 1405 K N 0.811 121.216 120.400 0.008 0.000 2.167 1405 K HA -0.056 4.265 4.320 0.000 0.000 0.203 1405 K C 2.068 178.675 176.600 0.011 0.000 1.052 1405 K CA 0.281 56.574 56.287 0.009 0.000 0.956 1405 K CB 0.255 32.760 32.500 0.007 0.000 0.735 1405 K HN -0.118 nan 8.250 nan 0.000 0.451 1406 V N 1.387 121.308 119.914 0.011 0.000 2.332 1406 V HA -0.275 3.845 4.120 0.000 0.000 0.248 1406 V C 2.398 178.503 176.094 0.018 0.000 1.055 1406 V CA 2.081 64.388 62.300 0.013 0.000 1.038 1406 V CB -0.690 31.140 31.823 0.011 0.000 0.651 1406 V HN 0.454 nan 8.190 nan 0.000 0.450 1407 A N -0.904 121.927 122.820 0.018 0.000 1.877 1407 A HA -0.226 4.095 4.320 0.000 0.000 0.216 1407 A C 2.285 179.885 177.584 0.027 0.000 1.186 1407 A CA 2.137 54.188 52.037 0.023 0.000 0.620 1407 A CB -0.497 18.513 19.000 0.017 0.000 0.822 1407 A HN 0.443 nan 8.150 nan 0.000 0.443 1408 M N -1.186 118.426 119.600 0.020 0.000 2.080 1408 M HA -0.219 4.261 4.480 0.000 0.000 0.260 1408 M C 2.212 178.530 176.300 0.029 0.000 1.068 1408 M CA 2.276 57.590 55.300 0.022 0.000 1.109 1408 M CB -0.385 32.225 32.600 0.017 0.000 1.342 1408 M HN 0.638 nan 8.290 nan 0.000 0.405 1409 E N 0.586 120.801 120.200 0.025 0.000 2.021 1409 E HA -0.199 4.151 4.350 0.000 0.000 0.200 1409 E C 1.820 178.439 176.600 0.031 0.000 1.015 1409 E CA 2.784 59.198 56.400 0.024 0.000 0.824 1409 E CB -0.154 29.556 29.700 0.017 0.000 0.762 1409 E HN 0.539 nan 8.360 nan 0.000 0.454 1410 S N 0.074 115.794 115.700 0.034 0.000 2.402 1410 S HA -0.119 4.351 4.470 0.000 0.000 0.229 1410 S C 2.182 176.829 174.600 0.078 0.000 1.021 1410 S CA 1.065 59.290 58.200 0.040 0.000 0.974 1410 S CB -0.508 62.714 63.200 0.036 0.000 0.800 1410 S HN 0.291 nan 8.310 nan 0.000 0.484 1411 L N 0.947 122.229 121.223 0.098 0.000 2.093 1411 L HA -0.087 4.253 4.340 0.000 0.000 0.208 1411 L C 2.936 179.904 176.870 0.164 0.000 1.085 1411 L CA 1.329 56.267 54.840 0.164 0.000 0.755 1411 L CB -0.450 41.660 42.059 0.084 0.000 0.904 1411 L HN 0.405 nan 8.230 nan 0.000 0.435 1412 Q N -1.069 118.786 119.800 0.092 0.000 2.369 1412 Q HA -0.154 4.186 4.340 0.000 0.000 0.206 1412 Q C 1.980 178.018 176.000 0.063 0.000 0.963 1412 Q CA 0.770 56.618 55.803 0.075 0.000 0.894 1412 Q CB 0.267 29.035 28.738 0.049 0.000 0.965 1412 Q HN 0.497 nan 8.270 nan 0.000 0.475 1413 Q N -0.440 119.389 119.800 0.048 0.000 2.304 1413 Q HA 0.049 4.389 4.340 0.000 0.000 0.204 1413 Q C 1.640 177.619 176.000 -0.036 0.000 0.936 1413 Q CA 0.541 56.349 55.803 0.008 0.000 0.878 1413 Q CB 0.035 28.770 28.738 -0.004 0.000 0.983 1413 Q HN 0.191 nan 8.270 nan 0.000 0.516 1414 R N -0.496 119.971 120.500 -0.055 0.000 2.276 1414 R HA 0.045 4.385 4.340 0.000 0.000 0.203 1414 R C 0.391 176.357 176.300 -0.557 0.000 1.017 1414 R CA 0.575 56.511 56.100 -0.273 0.000 1.010 1414 R CB 0.306 30.426 30.300 -0.301 0.000 0.900 1414 R HN 0.119 nan 8.270 nan 0.000 0.469 1415 F N -0.245 119.664 119.950 -0.068 0.000 2.781 1415 F HA 0.301 4.828 4.527 0.000 0.000 0.322 1415 F C -0.325 175.443 175.800 -0.055 0.000 1.108 1415 F CA -0.568 57.378 58.000 -0.089 0.000 1.179 1415 F CB 0.619 39.565 39.000 -0.089 0.000 1.072 1415 F HN -0.273 nan 8.300 nan 0.000 0.545 1416 K N 2.010 122.463 120.400 0.089 0.000 5.617 1416 K HA -0.157 4.163 4.320 0.000 0.000 0.401 1416 K C -1.181 175.468 176.600 0.082 0.000 0.978 1416 K CA 0.405 56.730 56.287 0.063 0.000 1.200 1416 K CB -1.089 31.431 32.500 0.034 0.000 1.863 1416 K HN 0.290 nan 8.250 nan 0.000 0.382 1417 L N 1.015 122.285 121.223 0.080 0.000 2.401 1417 L HA 0.365 4.705 4.340 0.000 0.000 0.266 1417 L C 0.501 177.414 176.870 0.072 0.000 0.991 1417 L CA -0.964 53.916 54.840 0.067 0.000 0.818 1417 L CB 2.060 44.151 42.059 0.053 0.000 1.321 1417 L HN 0.390 nan 8.230 nan 0.000 0.413 1418 S N 0.618 116.378 115.700 0.100 0.000 2.566 1418 S HA -0.055 4.415 4.470 0.000 0.000 0.280 1418 S C 1.143 175.795 174.600 0.088 0.000 1.343 1418 S CA 0.115 58.397 58.200 0.137 0.000 1.036 1418 S CB 0.753 64.146 63.200 0.321 0.000 0.866 1418 S HN 0.799 nan 8.310 nan 0.000 0.526 1419 E N 2.654 122.897 120.200 0.071 0.000 2.209 1419 E HA -0.179 4.171 4.350 0.000 0.000 0.196 1419 E C 1.743 178.372 176.600 0.050 0.000 0.993 1419 E CA 1.273 57.702 56.400 0.048 0.000 0.819 1419 E CB 0.005 29.727 29.700 0.035 0.000 0.745 1419 E HN 0.643 nan 8.360 nan 0.000 0.477 1420 K N 0.089 120.538 120.400 0.082 0.000 1.985 1420 K HA -0.184 4.136 4.320 0.000 0.000 0.210 1420 K C 2.274 178.901 176.600 0.045 0.000 1.047 1420 K CA 1.772 58.110 56.287 0.086 0.000 0.932 1420 K CB -0.107 32.494 32.500 0.169 0.000 0.716 1420 K HN 0.158 nan 8.250 nan 0.000 0.439 1421 Q N -0.026 119.787 119.800 0.021 0.000 2.291 1421 Q HA -0.115 4.226 4.340 0.000 0.000 0.206 1421 Q C 1.874 177.852 176.000 -0.037 0.000 0.976 1421 Q CA 1.146 56.911 55.803 -0.062 0.000 0.875 1421 Q CB -0.050 28.601 28.738 -0.145 0.000 0.927 1421 Q HN 0.322 nan 8.270 nan 0.000 0.450 1422 A N 0.696 123.512 122.820 -0.006 0.000 1.832 1422 A HA -0.235 4.085 4.320 0.000 0.000 0.214 1422 A C 2.051 179.628 177.584 -0.011 0.000 1.204 1422 A CA 1.432 53.466 52.037 -0.006 0.000 0.606 1422 A CB -0.587 18.422 19.000 0.015 0.000 0.849 1422 A HN 0.213 nan 8.150 nan 0.000 0.445 1423 Q N -0.187 119.613 119.800 0.000 0.000 2.096 1423 Q HA -0.086 4.254 4.340 0.000 0.000 0.204 1423 Q C 2.035 178.029 176.000 -0.010 0.000 0.982 1423 Q CA 2.127 57.929 55.803 -0.002 0.000 0.850 1423 Q CB -0.671 28.070 28.738 0.005 0.000 0.901 1423 Q HN 0.594 nan 8.270 nan 0.000 0.422 1424 A N -0.542 122.271 122.820 -0.011 0.000 2.032 1424 A HA -0.194 4.126 4.320 0.000 0.000 0.221 1424 A C 1.963 179.530 177.584 -0.029 0.000 1.165 1424 A CA 1.540 53.567 52.037 -0.017 0.000 0.645 1424 A CB -0.559 18.429 19.000 -0.020 0.000 0.807 1424 A HN 0.439 nan 8.150 nan 0.000 0.453 1425 I N -0.679 119.867 120.570 -0.040 0.000 2.296 1425 I HA -0.112 4.058 4.170 0.000 0.000 0.242 1425 I C 2.307 178.400 176.117 -0.039 0.000 1.087 1425 I CA 0.774 62.043 61.300 -0.052 0.000 1.393 1425 I CB -0.280 37.670 38.000 -0.083 0.000 1.093 1425 I HN 0.268 nan 8.210 nan 0.000 0.421 1426 L N 0.173 121.377 121.223 -0.031 0.000 2.089 1426 L HA -0.278 4.062 4.340 0.000 0.000 0.213 1426 L C 1.066 177.926 176.870 -0.017 0.000 1.079 1426 L CA 1.353 56.181 54.840 -0.021 0.000 0.758 1426 L CB -0.653 41.398 42.059 -0.012 0.000 0.891 1426 L HN 0.279 nan 8.230 nan 0.000 0.433 1427 D N -0.837 119.554 120.400 -0.015 0.000 2.342 1427 D HA 0.102 4.742 4.640 0.000 0.000 0.221 1427 D C 0.656 176.949 176.300 -0.013 0.000 1.101 1427 D CA 0.138 54.131 54.000 -0.011 0.000 0.837 1427 D CB 0.233 41.029 40.800 -0.008 0.000 0.938 1427 D HN 0.166 nan 8.370 nan 0.000 0.508 1428 M N 0.585 120.174 119.600 -0.018 0.000 2.274 1428 M HA 0.266 4.746 4.480 0.000 0.000 0.344 1428 M C -0.336 175.954 176.300 -0.016 0.000 1.161 1428 M CA -0.247 55.042 55.300 -0.018 0.000 1.126 1428 M CB 1.291 33.876 32.600 -0.025 0.000 1.522 1428 M HN -0.292 nan 8.290 nan 0.000 0.461 1429 R N 2.802 123.294 120.500 -0.013 0.000 2.459 1429 R HA 0.310 4.650 4.340 0.000 0.000 0.281 1429 R C 0.981 177.274 176.300 -0.012 0.000 1.050 1429 R CA -0.506 55.587 56.100 -0.011 0.000 1.055 1429 R CB 1.034 31.329 30.300 -0.009 0.000 1.045 1429 R HN 0.856 nan 8.270 nan 0.000 0.495 1430 L N 2.434 123.650 121.223 -0.011 0.000 2.131 1430 L HA -0.175 4.165 4.340 0.000 0.000 0.210 1430 L C 2.435 179.299 176.870 -0.010 0.000 1.092 1430 L CA 1.371 56.204 54.840 -0.011 0.000 0.759 1430 L CB -0.221 41.833 42.059 -0.008 0.000 0.903 1430 L HN 0.579 nan 8.230 nan 0.000 0.435 1431 R N -0.227 120.268 120.500 -0.009 0.000 2.357 1431 R HA -0.081 4.259 4.340 0.000 0.000 0.202 1431 R C 1.071 177.366 176.300 -0.009 0.000 1.047 1431 R CA 0.467 56.562 56.100 -0.008 0.000 1.034 1431 R CB -0.229 30.067 30.300 -0.007 0.000 0.875 1431 R HN 0.254 nan 8.270 nan 0.000 0.473 1432 R N 0.742 121.236 120.500 -0.011 0.000 2.334 1432 R HA 0.196 4.536 4.340 0.000 0.000 0.216 1432 R C 0.993 177.285 176.300 -0.014 0.000 0.905 1432 R CA 0.164 56.257 56.100 -0.012 0.000 1.064 1432 R CB 0.202 30.494 30.300 -0.013 0.000 1.046 1432 R HN 0.302 nan 8.270 nan 0.000 0.508 1433 L N 0.707 121.922 121.223 -0.014 0.000 2.700 1433 L HA 0.151 4.491 4.340 0.000 0.000 0.234 1433 L C 0.358 177.221 176.870 -0.012 0.000 1.156 1433 L CA -0.121 54.711 54.840 -0.015 0.000 0.946 1433 L CB 0.058 42.108 42.059 -0.015 0.000 1.216 1433 L HN -0.099 nan 8.230 nan 0.000 0.493 1434 T N -0.936 113.611 114.554 -0.011 0.000 2.734 1434 T HA 0.108 4.458 4.350 0.000 0.000 0.314 1434 T C 1.563 176.257 174.700 -0.010 0.000 1.057 1434 T CA 0.112 62.206 62.100 -0.009 0.000 1.047 1434 T CB 1.257 70.121 68.868 -0.008 0.000 0.991 1434 T HN 0.301 nan 8.240 nan 0.000 0.540 1435 G N -0.038 108.756 108.800 -0.010 0.000 2.511 1435 G HA2 -0.125 3.836 3.960 0.000 0.000 0.216 1435 G HA3 -0.125 3.836 3.960 0.000 0.000 0.216 1435 G C 1.328 176.222 174.900 -0.010 0.000 1.218 1435 G CA 0.374 45.468 45.100 -0.011 0.000 0.788 1435 G HN 0.656 nan 8.290 nan 0.000 0.560 1436 L N 0.619 121.837 121.223 -0.008 0.000 2.456 1436 L HA 0.009 4.349 4.340 0.000 0.000 0.224 1436 L C 2.796 179.663 176.870 -0.006 0.000 1.148 1436 L CA 0.400 55.235 54.840 -0.007 0.000 0.825 1436 L CB -0.233 41.822 42.059 -0.005 0.000 0.937 1436 L HN 0.228 nan 8.230 nan 0.000 0.450 1437 E N 0.340 120.536 120.200 -0.007 0.000 2.051 1437 E HA -0.244 4.106 4.350 0.000 0.000 0.192 1437 E C 2.160 178.756 176.600 -0.006 0.000 0.991 1437 E CA 0.946 57.343 56.400 -0.005 0.000 0.799 1437 E CB -0.112 29.583 29.700 -0.007 0.000 0.748 1437 E HN 0.261 nan 8.360 nan 0.000 0.449 1438 R N 1.587 122.081 120.500 -0.011 0.000 2.120 1438 R HA -0.125 4.215 4.340 0.000 0.000 0.234 1438 R C 1.529 177.821 176.300 -0.013 0.000 1.123 1438 R CA 1.531 57.622 56.100 -0.015 0.000 0.975 1438 R CB -0.352 29.934 30.300 -0.024 0.000 0.866 1438 R HN 0.031 nan 8.270 nan 0.000 0.446 1439 D N -0.044 120.350 120.400 -0.010 0.000 2.162 1439 D HA -0.102 4.538 4.640 0.000 0.000 0.205 1439 D C 1.474 177.777 176.300 0.004 0.000 0.964 1439 D CA 1.490 55.486 54.000 -0.007 0.000 0.847 1439 D CB -0.074 40.721 40.800 -0.007 0.000 0.988 1439 D HN 0.381 nan 8.370 nan 0.000 0.480 1440 K N 0.727 121.130 120.400 0.006 0.000 2.362 1440 K HA -0.026 4.294 4.320 0.000 0.000 0.200 1440 K C 1.883 178.498 176.600 0.025 0.000 1.046 1440 K CA 0.779 57.073 56.287 0.012 0.000 0.952 1440 K CB -0.339 32.165 32.500 0.007 0.000 0.753 1440 K HN 0.151 nan 8.250 nan 0.000 0.466 1441 I N 2.185 122.770 120.570 0.026 0.000 2.163 1441 I HA -0.237 3.934 4.170 0.000 0.000 0.240 1441 I C 1.982 178.153 176.117 0.089 0.000 1.081 1441 I CA 1.716 63.044 61.300 0.047 0.000 1.353 1441 I CB -0.295 37.726 38.000 0.035 0.000 1.054 1441 I HN 0.422 nan 8.210 nan 0.000 0.407 1442 E N 1.355 121.595 120.200 0.066 0.000 2.502 1442 E HA 0.015 4.365 4.350 0.000 0.000 0.194 1442 E C 1.786 178.444 176.600 0.096 0.000 1.062 1442 E CA 0.669 57.129 56.400 0.099 0.000 0.867 1442 E CB 0.002 29.696 29.700 -0.010 0.000 0.888 1442 E HN 0.441 nan 8.360 nan 0.000 0.510 1443 A N 1.850 124.708 122.820 0.064 0.000 1.970 1443 A HA -0.159 4.161 4.320 0.000 0.000 0.216 1443 A C 2.098 179.718 177.584 0.060 0.000 1.170 1443 A CA 1.140 53.207 52.037 0.050 0.000 0.645 1443 A CB -0.208 18.809 19.000 0.027 0.000 0.816 1443 A HN 0.283 nan 8.150 nan 0.000 0.447 1444 E N -1.861 118.380 120.200 0.070 0.000 2.140 1444 E HA -0.124 4.226 4.350 0.000 0.000 0.191 1444 E C 1.707 178.359 176.600 0.086 0.000 0.973 1444 E CA 0.487 56.921 56.400 0.058 0.000 0.829 1444 E CB -0.231 29.492 29.700 0.039 0.000 0.781 1444 E HN 0.620 nan 8.360 nan 0.000 0.466 1445 Y N 2.492 122.801 120.300 0.014 0.000 2.070 1445 Y HA -0.300 4.250 4.550 0.000 0.000 0.280 1445 Y C 2.055 177.971 175.900 0.026 0.000 1.148 1445 Y CA 2.329 60.440 58.100 0.019 0.000 1.125 1445 Y CB -0.437 38.029 38.460 0.010 0.000 0.975 1445 Y HN 0.105 nan 8.280 nan 0.000 0.492 1446 N N 0.573 119.465 118.700 0.321 0.000 2.021 1446 N HA -0.264 4.476 4.740 0.000 0.000 0.198 1446 N C 1.938 177.518 175.510 0.116 0.000 1.041 1446 N CA 1.819 54.995 53.050 0.209 0.000 0.862 1446 N CB -0.929 37.634 38.487 0.127 0.000 1.048 1446 N HN 0.545 nan 8.380 nan 0.000 0.427 1447 E N 0.785 121.035 120.200 0.083 0.000 2.114 1447 E HA -0.195 4.155 4.350 0.000 0.000 0.199 1447 E C 1.999 178.645 176.600 0.077 0.000 1.008 1447 E CA 0.702 57.137 56.400 0.059 0.000 0.810 1447 E CB -0.059 29.660 29.700 0.031 0.000 0.739 1447 E HN 0.220 nan 8.360 nan 0.000 0.456 1448 L N 0.194 121.445 121.223 0.046 0.000 1.990 1448 L HA -0.249 4.091 4.340 0.000 0.000 0.213 1448 L C 2.513 179.406 176.870 0.038 0.000 1.072 1448 L CA 1.570 56.438 54.840 0.046 0.000 0.755 1448 L CB -0.674 41.310 42.059 -0.124 0.000 0.889 1448 L HN 0.271 nan 8.230 nan 0.000 0.432 1449 L N -1.349 119.858 121.223 -0.026 0.000 2.313 1449 L HA -0.077 4.263 4.340 0.000 0.000 0.214 1449 L C 1.902 178.782 176.870 0.017 0.000 1.119 1449 L CA 1.119 55.944 54.840 -0.026 0.000 0.809 1449 L CB -0.827 41.230 42.059 -0.002 0.000 0.933 1449 L HN 0.257 nan 8.230 nan 0.000 0.449 1450 N N -1.181 117.554 118.700 0.059 0.000 2.396 1450 N HA -0.186 4.554 4.740 0.000 0.000 0.180 1450 N C 1.671 177.244 175.510 0.106 0.000 1.028 1450 N CA 0.597 53.688 53.050 0.068 0.000 0.893 1450 N CB -0.103 38.425 38.487 0.068 0.000 0.967 1450 N HN 0.343 nan 8.380 nan 0.000 0.440 1451 Y N 1.481 121.770 120.300 -0.018 0.000 2.347 1451 Y HA 0.171 4.721 4.550 0.000 0.000 0.294 1451 Y C 1.728 177.614 175.900 -0.024 0.000 1.117 1451 Y CA 0.610 58.699 58.100 -0.020 0.000 1.184 1451 Y CB -0.164 38.282 38.460 -0.024 0.000 1.047 1451 Y HN -0.053 nan 8.280 nan 0.000 0.546 1452 I N -0.605 119.835 120.570 -0.216 0.000 2.493 1452 I HA -0.226 3.945 4.170 0.000 0.000 0.254 1452 I C 2.517 178.530 176.117 -0.174 0.000 1.160 1452 I CA 1.511 62.629 61.300 -0.303 0.000 1.445 1452 I CB -0.521 37.358 38.000 -0.202 0.000 1.086 1452 I HN 0.228 nan 8.210 nan 0.000 0.433 1453 S N 0.402 116.050 115.700 -0.087 0.000 2.453 1453 S HA -0.135 4.335 4.470 0.000 0.000 0.231 1453 S C 1.783 176.356 174.600 -0.045 0.000 1.005 1453 S CA 1.107 59.277 58.200 -0.050 0.000 0.949 1453 S CB -0.072 63.119 63.200 -0.015 0.000 0.774 1453 S HN 0.421 nan 8.310 nan 0.000 0.510 1454 E N 0.796 120.970 120.200 -0.044 0.000 2.015 1454 E HA -0.055 4.295 4.350 0.000 0.000 0.191 1454 E C 2.047 178.615 176.600 -0.052 0.000 0.991 1454 E CA 1.324 57.712 56.400 -0.021 0.000 0.802 1454 E CB -0.243 29.479 29.700 0.036 0.000 0.759 1454 E HN 0.466 nan 8.360 nan 0.000 0.447 1455 L N 0.993 122.146 121.223 -0.118 0.000 2.131 1455 L HA -0.182 4.159 4.340 0.000 0.000 0.210 1455 L C 2.170 178.986 176.870 -0.089 0.000 1.092 1455 L CA 1.173 55.942 54.840 -0.119 0.000 0.759 1455 L CB -0.543 41.388 42.059 -0.213 0.000 0.903 1455 L HN 0.166 nan 8.230 nan 0.000 0.435 1456 E N -0.577 119.569 120.200 -0.091 0.000 2.208 1456 E HA -0.139 4.211 4.350 0.000 0.000 0.193 1456 E C 1.970 178.544 176.600 -0.045 0.000 0.988 1456 E CA 1.226 57.586 56.400 -0.066 0.000 0.828 1456 E CB 0.018 29.680 29.700 -0.063 0.000 0.763 1456 E HN 0.337 nan 8.360 nan 0.000 0.478 1457 T N 0.620 115.151 114.554 -0.039 0.000 3.043 1457 T HA 0.077 4.427 4.350 0.000 0.000 0.263 1457 T C 1.752 176.438 174.700 -0.023 0.000 1.094 1457 T CA 0.247 62.332 62.100 -0.026 0.000 1.127 1457 T CB 0.098 68.955 68.868 -0.018 0.000 0.905 1457 T HN 0.080 nan 8.240 nan 0.000 0.490 1458 I N 0.453 121.007 120.570 -0.026 0.000 2.546 1458 I HA -0.069 4.101 4.170 0.000 0.000 0.255 1458 I C 1.729 177.831 176.117 -0.025 0.000 1.163 1458 I CA 0.721 62.008 61.300 -0.022 0.000 1.457 1458 I CB -0.085 37.904 38.000 -0.018 0.000 1.092 1458 I HN 0.195 nan 8.210 nan 0.000 0.434 1459 L N 0.561 121.766 121.223 -0.030 0.000 2.013 1459 L HA -0.028 4.312 4.340 0.000 0.000 0.204 1459 L C 2.766 179.620 176.870 -0.026 0.000 1.081 1459 L CA 1.877 56.699 54.840 -0.030 0.000 0.751 1459 L CB -1.054 40.985 42.059 -0.033 0.000 0.901 1459 L HN 0.132 nan 8.230 nan 0.000 0.440 1460 A N -1.431 121.373 122.820 -0.026 0.000 1.971 1460 A HA -0.260 4.061 4.320 0.000 0.000 0.222 1460 A C 1.256 178.829 177.584 -0.019 0.000 1.182 1460 A CA 2.005 54.029 52.037 -0.022 0.000 0.649 1460 A CB -0.668 18.320 19.000 -0.021 0.000 0.818 1460 A HN 0.420 nan 8.150 nan 0.000 0.458 1461 D N -0.830 119.558 120.400 -0.019 0.000 2.485 1461 D HA 0.267 4.907 4.640 0.000 0.000 0.229 1461 D C 0.678 176.967 176.300 -0.019 0.000 1.101 1461 D CA -0.204 53.786 54.000 -0.017 0.000 0.906 1461 D CB 0.587 41.378 40.800 -0.014 0.000 1.019 1461 D HN 0.424 nan 8.370 nan 0.000 0.516 1462 E N 1.389 121.577 120.200 -0.020 0.000 2.171 1462 E HA -0.247 4.103 4.350 0.000 0.000 0.197 1462 E C 1.103 177.689 176.600 -0.022 0.000 0.997 1462 E CA 0.967 57.353 56.400 -0.023 0.000 0.810 1462 E CB 0.388 30.073 29.700 -0.025 0.000 0.738 1462 E HN 0.363 nan 8.360 nan 0.000 0.467 1463 E N 0.178 120.366 120.200 -0.019 0.000 2.347 1463 E HA -0.099 4.251 4.350 0.000 0.000 0.196 1463 E C 1.679 178.270 176.600 -0.015 0.000 1.008 1463 E CA 0.396 56.786 56.400 -0.017 0.000 0.852 1463 E CB 0.185 29.876 29.700 -0.015 0.000 0.783 1463 E HN 0.029 nan 8.360 nan 0.000 0.505 1464 V N 0.401 120.307 119.914 -0.014 0.000 2.719 1464 V HA -0.127 3.993 4.120 0.000 0.000 0.252 1464 V C 2.133 178.219 176.094 -0.013 0.000 1.065 1464 V CA 1.203 63.496 62.300 -0.011 0.000 1.086 1464 V CB -0.372 31.445 31.823 -0.010 0.000 0.700 1464 V HN 0.280 nan 8.190 nan 0.000 0.467 1465 L N 0.053 121.264 121.223 -0.019 0.000 2.049 1465 L HA 0.003 4.343 4.340 0.000 0.000 0.203 1465 L C 2.168 179.021 176.870 -0.028 0.000 1.074 1465 L CA 1.769 56.595 54.840 -0.024 0.000 0.749 1465 L CB -0.528 41.512 42.059 -0.031 0.000 0.907 1465 L HN 0.315 nan 8.230 nan 0.000 0.439 1466 L N -0.632 120.574 121.223 -0.030 0.000 2.265 1466 L HA -0.176 4.164 4.340 0.000 0.000 0.215 1466 L C 2.334 179.191 176.870 -0.023 0.000 1.117 1466 L CA 1.768 56.589 54.840 -0.032 0.000 0.782 1466 L CB -0.564 41.476 42.059 -0.033 0.000 0.914 1466 L HN 0.505 nan 8.230 nan 0.000 0.441 1467 Q N -0.583 119.207 119.800 -0.017 0.000 2.083 1467 Q HA -0.172 4.168 4.340 0.000 0.000 0.198 1467 Q C 2.042 178.037 176.000 -0.007 0.000 0.969 1467 Q CA 1.838 57.635 55.803 -0.010 0.000 0.838 1467 Q CB -0.503 28.230 28.738 -0.007 0.000 0.900 1467 Q HN 0.523 nan 8.270 nan 0.000 0.436 1468 L N -0.170 121.048 121.223 -0.009 0.000 2.042 1468 L HA -0.125 4.215 4.340 0.000 0.000 0.210 1468 L C 1.950 178.816 176.870 -0.006 0.000 1.076 1468 L CA 1.775 56.612 54.840 -0.004 0.000 0.749 1468 L CB -0.930 41.126 42.059 -0.005 0.000 0.893 1468 L HN 0.205 nan 8.230 nan 0.000 0.432 1469 V N 0.070 119.973 119.914 -0.018 0.000 2.358 1469 V HA -0.249 3.871 4.120 0.000 0.000 0.246 1469 V C 2.699 178.792 176.094 -0.002 0.000 1.047 1469 V CA 2.044 64.332 62.300 -0.021 0.000 1.035 1469 V CB -0.839 30.954 31.823 -0.051 0.000 0.658 1469 V HN 0.457 nan 8.190 nan 0.000 0.452 1470 R N 0.288 120.788 120.500 -0.001 0.000 2.096 1470 R HA -0.159 4.182 4.340 0.000 0.000 0.235 1470 R C 2.031 178.341 176.300 0.016 0.000 1.127 1470 R CA 1.804 57.910 56.100 0.011 0.000 0.968 1470 R CB -0.466 29.837 30.300 0.005 0.000 0.861 1470 R HN 0.481 nan 8.270 nan 0.000 0.440 1471 D N 0.341 120.748 120.400 0.012 0.000 2.144 1471 D HA -0.138 4.502 4.640 0.000 0.000 0.200 1471 D C 1.624 177.937 176.300 0.022 0.000 0.978 1471 D CA 1.092 55.100 54.000 0.014 0.000 0.833 1471 D CB 0.015 40.821 40.800 0.010 0.000 0.961 1471 D HN 0.257 nan 8.370 nan 0.000 0.470 1472 E N -0.509 119.706 120.200 0.024 0.000 2.208 1472 E HA -0.015 4.335 4.350 0.000 0.000 0.193 1472 E C 1.894 178.526 176.600 0.053 0.000 0.988 1472 E CA 0.363 56.785 56.400 0.035 0.000 0.828 1472 E CB 0.184 29.902 29.700 0.030 0.000 0.763 1472 E HN 0.243 nan 8.360 nan 0.000 0.478 1473 L N -0.501 120.755 121.223 0.056 0.000 2.168 1473 L HA -0.031 4.309 4.340 0.000 0.000 0.203 1473 L C 2.423 179.329 176.870 0.059 0.000 1.078 1473 L CA 0.892 55.777 54.840 0.076 0.000 0.780 1473 L CB -0.536 41.581 42.059 0.095 0.000 0.939 1473 L HN 0.094 nan 8.230 nan 0.000 0.451 1474 T N -0.355 114.223 114.554 0.041 0.000 2.721 1474 T HA -0.251 4.099 4.350 0.000 0.000 0.268 1474 T C 1.818 176.535 174.700 0.028 0.000 1.038 1474 T CA 1.635 63.752 62.100 0.029 0.000 1.145 1474 T CB -0.175 68.704 68.868 0.018 0.000 0.858 1474 T HN 0.314 nan 8.240 nan 0.000 0.459 1475 E N 0.560 120.780 120.200 0.033 0.000 2.208 1475 E HA -0.080 4.271 4.350 0.000 0.000 0.193 1475 E C 2.121 178.754 176.600 0.054 0.000 0.988 1475 E CA 0.610 57.027 56.400 0.029 0.000 0.828 1475 E CB -0.044 29.673 29.700 0.028 0.000 0.763 1475 E HN 0.453 nan 8.360 nan 0.000 0.478 1476 I N 0.462 121.087 120.570 0.091 0.000 2.286 1476 I HA -0.178 3.993 4.170 0.000 0.000 0.245 1476 I C 2.753 178.961 176.117 0.152 0.000 1.104 1476 I CA 0.675 62.078 61.300 0.173 0.000 1.397 1476 I CB -0.962 37.103 38.000 0.107 0.000 1.072 1476 I HN 0.117 nan 8.210 nan 0.000 0.417 1477 R N 1.224 121.763 120.500 0.065 0.000 2.139 1477 R HA -0.209 4.131 4.340 0.000 0.000 0.243 1477 R C 1.522 177.828 176.300 0.011 0.000 1.145 1477 R CA 1.817 57.934 56.100 0.029 0.000 0.976 1477 R CB -0.070 30.241 30.300 0.019 0.000 0.866 1477 R HN 0.342 nan 8.270 nan 0.000 0.449 1478 D N -0.727 119.673 120.400 -0.001 0.000 2.323 1478 D HA -0.068 4.573 4.640 0.000 0.000 0.209 1478 D C 1.467 177.709 176.300 -0.095 0.000 0.973 1478 D CA 0.712 54.690 54.000 -0.037 0.000 0.874 1478 D CB 0.115 40.897 40.800 -0.031 0.000 0.930 1478 D HN 0.213 nan 8.370 nan 0.000 0.521 1479 R N -1.278 119.143 120.500 -0.132 0.000 2.437 1479 R HA 0.152 4.492 4.340 0.000 0.000 0.257 1479 R C 0.437 176.246 176.300 -0.819 0.000 0.927 1479 R CA 0.183 56.043 56.100 -0.400 0.000 1.078 1479 R CB 0.362 30.412 30.300 -0.416 0.000 1.161 1479 R HN 0.003 nan 8.270 nan 0.000 0.529 1480 F N -1.971 117.887 119.950 -0.154 0.000 1.975 1480 F HA 0.300 4.827 4.527 0.000 0.000 0.259 1480 F C 1.236 176.921 175.800 -0.193 0.000 1.011 1480 F CA -0.110 57.762 58.000 -0.214 0.000 1.196 1480 F CB -0.445 38.336 39.000 -0.366 0.000 1.427 1480 F HN -0.053 nan 8.300 nan 0.000 0.669 1481 G N 3.860 112.664 108.800 0.007 0.000 2.578 1481 G HA2 0.081 4.041 3.960 0.000 0.000 0.287 1481 G HA3 0.081 4.041 3.960 0.000 0.000 0.287 1481 G C -0.311 174.596 174.900 0.013 0.000 0.568 1481 G CA 0.646 45.734 45.100 -0.019 0.000 1.150 1481 G HN 0.353 nan 8.290 nan 0.000 0.251 1482 D N 1.631 122.066 120.400 0.059 0.000 2.539 1482 D HA 0.298 4.938 4.640 0.000 0.000 0.280 1482 D C -0.057 176.280 176.300 0.062 0.000 1.208 1482 D CA -0.915 53.126 54.000 0.069 0.000 1.088 1482 D CB 0.443 41.311 40.800 0.114 0.000 1.149 1482 D HN 0.173 nan 8.370 nan 0.000 0.596 1483 D N -0.635 119.796 120.400 0.052 0.000 2.339 1483 D HA 0.134 4.774 4.640 0.000 0.000 0.245 1483 D C 0.441 176.765 176.300 0.040 0.000 1.115 1483 D CA -0.183 53.840 54.000 0.037 0.000 0.917 1483 D CB 0.819 41.635 40.800 0.026 0.000 1.192 1483 D HN 0.315 nan 8.370 nan 0.000 0.428 1484 R N 1.384 121.901 120.500 0.029 0.000 2.698 1484 R HA -0.003 4.337 4.340 0.000 0.000 0.266 1484 R C 0.812 177.116 176.300 0.008 0.000 1.026 1484 R CA 0.508 56.618 56.100 0.016 0.000 1.102 1484 R CB 0.680 30.987 30.300 0.013 0.000 0.978 1484 R HN 0.426 nan 8.270 nan 0.000 0.436 1485 R N 1.286 121.780 120.500 -0.010 0.000 2.119 1485 R HA 0.103 4.444 4.340 0.000 0.000 0.202 1485 R C 0.090 176.394 176.300 0.008 0.000 1.114 1485 R CA 0.537 56.634 56.100 -0.005 0.000 1.089 1485 R CB 0.249 30.535 30.300 -0.023 0.000 1.000 1485 R HN 0.557 nan 8.270 nan 0.000 0.487 1486 T N 2.071 116.627 114.554 0.003 0.000 2.780 1486 T HA 0.087 4.437 4.350 0.000 0.000 0.294 1486 T C -0.267 174.445 174.700 0.020 0.000 0.949 1486 T CA -0.165 61.956 62.100 0.035 0.000 1.074 1486 T CB 1.718 70.634 68.868 0.079 0.000 0.910 1486 T HN 0.096 nan 8.240 nan 0.000 0.501 1487 E N 2.366 122.581 120.200 0.025 0.000 2.354 1487 E HA 0.252 4.602 4.350 0.000 0.000 0.269 1487 E C -0.857 175.752 176.600 0.015 0.000 1.036 1487 E CA -0.651 55.758 56.400 0.016 0.000 0.876 1487 E CB 0.419 30.126 29.700 0.013 0.000 1.009 1487 E HN 0.423 nan 8.360 nan 0.000 0.416 1488 I N 3.234 123.809 120.570 0.009 0.000 2.388 1488 I HA 0.128 4.299 4.170 0.000 0.000 0.281 1488 I C -0.157 175.960 176.117 0.000 0.000 1.046 1488 I CA -0.358 60.946 61.300 0.006 0.000 1.187 1488 I CB 1.255 39.257 38.000 0.004 0.000 1.351 1488 I HN 0.303 nan 8.210 nan 0.000 0.472 1489 Q N 5.905 125.702 119.800 -0.006 0.000 2.409 1489 Q HA 0.235 4.576 4.340 0.000 0.000 0.240 1489 Q C -0.093 175.901 176.000 -0.010 0.000 1.226 1489 Q CA -0.490 55.307 55.803 -0.011 0.000 0.895 1489 Q CB 0.373 29.098 28.738 -0.022 0.000 1.491 1489 Q HN 0.600 nan 8.270 nan 0.000 0.509 1490 L N 0.000 121.220 121.223 -0.005 0.000 2.949 1490 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1490 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 1490 L CB 0.000 42.059 42.059 0.001 0.000 0.961 1490 L HN 0.000 nan 8.230 nan 0.000 0.502