REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2xcs_1_D DATA FIRST_RESID 417 DATA SEQUENCE KLADCSSKSP EECEIFLVEG DSAGGSTKSG RDSRTQAILP LRGKILNVEK DATA SEQUENCE ARLDRILNNN EIRQMITAFG TGIGGDFDLA KARYHKIVIM TDADVDGAHI DATA SEQUENCE RTLLLTFFYR FMRPLIEAGY VYIAQPPTGX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXYKGLGEM NADQLWETTM NPEHRALLQV KLEDAIEADQ DATA SEQUENCE TFEMLMGDVV ENRRQFIEDN AVYXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXNERNITS DATA SEQUENCE EMRESFLDYA MSVIVARALP DVRDGLKPVH RRILYGLNEQ GMTPDKSYKK DATA SEQUENCE SARIVGDVMG KYHPHGDSSI YEAMVRMAQD FSYRYPLVDG QGNFGSMDGD DATA SEQUENCE GAAAMRFTEA RMTKITLELL RDINKDTIDF IDNYDGNERE PSVLPARFPN DATA SEQUENCE LLANGASGIA VGMATNIPPH NLTELINGVL SLSKNPDISI AELMEDIEGP DATA SEQUENCE DFPTAGLILG KSGIRRAYET GRGSIQMRSR AVIEERGGGR QRIVVTEIPF DATA SEQUENCE QVNKARMIEK IAELVRDKKI DGITDLRDET SLRTGVRVVI DVRKDANASV DATA SEQUENCE ILNNLYKQTP LQTSFGVNMI ALVNGRPKLI NLKEALVHYL EHQKTVVRRR DATA SEQUENCE TQYNLRKAKD RAHILEGLRI ALDHIDEIIS TIRESDTDKV AMESLQQRFK DATA SEQUENCE LSEKQAQAIL DMRLRRLTGL ERDKIEAEYN ELLNYISELE TILADEEVLL DATA SEQUENCE QLVRDELTEI RDRFGDDRRT EIQL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 417 K HA 0.000 nan 4.320 nan 0.000 0.191 417 K C 0.000 176.602 176.600 0.003 0.000 0.988 417 K CA 0.000 56.285 56.287 -0.004 0.000 0.838 417 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 418 L N 2.987 124.213 121.223 0.005 0.000 2.534 418 L HA 0.628 4.969 4.340 0.001 0.000 0.271 418 L C 0.482 177.371 176.870 0.031 0.000 1.178 418 L CA 0.279 55.130 54.840 0.018 0.000 0.907 418 L CB 0.531 42.607 42.059 0.028 0.000 1.164 418 L HN 0.733 nan 8.230 nan 0.000 0.482 419 A N 4.748 127.589 122.820 0.035 0.000 2.880 419 A HA 0.296 4.617 4.320 0.001 0.000 0.328 419 A C -0.029 177.593 177.584 0.064 0.000 1.440 419 A CA -0.688 51.372 52.037 0.038 0.000 1.068 419 A CB -0.624 18.390 19.000 0.024 0.000 1.163 419 A HN 0.775 nan 8.150 nan 0.000 0.510 420 D N 1.117 121.569 120.400 0.086 0.000 2.378 420 D HA 0.217 4.858 4.640 0.001 0.000 0.238 420 D C 0.906 177.282 176.300 0.126 0.000 1.180 420 D CA -0.078 54.008 54.000 0.144 0.000 0.895 420 D CB 0.748 41.635 40.800 0.146 0.000 1.192 420 D HN 0.646 nan 8.370 nan 0.000 0.438 421 C N 0.510 119.916 119.300 0.177 0.000 2.396 421 C HA 0.519 4.979 4.460 0.001 0.000 0.359 421 C C 1.998 177.041 174.990 0.087 0.000 1.307 421 C CA -0.498 58.599 59.018 0.132 0.000 2.392 421 C CB 0.266 28.111 27.740 0.175 0.000 2.245 421 C HN 0.553 nan 8.230 nan 0.000 0.615 422 S N 0.675 116.410 115.700 0.059 0.000 2.329 422 S HA -0.058 4.412 4.470 0.001 0.000 0.215 422 S C 1.192 175.809 174.600 0.028 0.000 1.031 422 S CA 1.190 59.411 58.200 0.034 0.000 0.985 422 S CB -0.622 62.590 63.200 0.021 0.000 0.917 422 S HN 1.022 nan 8.310 nan 0.000 0.441 423 S N 1.342 117.059 115.700 0.029 0.000 2.566 423 S HA 0.339 4.810 4.470 0.001 0.000 0.280 423 S C 0.544 175.145 174.600 0.001 0.000 1.343 423 S CA 0.500 58.708 58.200 0.013 0.000 1.036 423 S CB 0.757 63.966 63.200 0.015 0.000 0.866 423 S HN 0.476 nan 8.310 nan 0.000 0.526 424 K N 2.028 122.416 120.400 -0.021 0.000 2.438 424 K HA 0.384 4.705 4.320 0.001 0.000 0.205 424 K C 0.570 177.136 176.600 -0.058 0.000 1.033 424 K CA 0.320 56.579 56.287 -0.047 0.000 1.089 424 K CB 0.248 32.726 32.500 -0.038 0.000 0.857 424 K HN 0.591 nan 8.250 nan 0.000 0.522 425 S N 2.361 118.032 115.700 -0.048 0.000 2.642 425 S HA 0.308 4.778 4.470 0.001 0.000 0.309 425 S C -1.955 172.599 174.600 -0.077 0.000 1.125 425 S CA -1.643 56.522 58.200 -0.058 0.000 1.055 425 S CB 0.787 63.955 63.200 -0.055 0.000 1.157 425 S HN 0.221 nan 8.310 nan 0.000 0.513 426 P HA -0.158 nan 4.420 nan 0.000 0.221 426 P C 1.181 178.399 177.300 -0.137 0.000 1.141 426 P CA 0.963 64.056 63.100 -0.012 0.000 0.794 426 P CB 0.150 31.921 31.700 0.119 0.000 0.764 427 E N 0.156 120.136 120.200 -0.367 0.000 2.058 427 E HA -0.210 4.141 4.350 0.001 0.000 0.194 427 E C 1.699 178.093 176.600 -0.344 0.000 0.997 427 E CA 1.461 57.482 56.400 -0.632 0.000 0.801 427 E CB -0.348 29.146 29.700 -0.345 0.000 0.746 427 E HN 0.632 nan 8.360 nan 0.000 0.450 428 E N -0.450 119.652 120.200 -0.163 0.000 2.489 428 E HA 0.102 4.453 4.350 0.001 0.000 0.204 428 E C 0.358 176.957 176.600 -0.002 0.000 1.006 428 E CA -0.136 56.220 56.400 -0.074 0.000 0.936 428 E CB 0.162 29.835 29.700 -0.046 0.000 1.002 428 E HN -0.055 nan 8.360 nan 0.000 0.488 429 C N 2.848 122.168 119.300 0.034 0.000 2.463 429 C HA 0.377 4.838 4.460 0.001 0.000 0.380 429 C C 0.101 175.239 174.990 0.246 0.000 1.264 429 C CA -0.545 58.575 59.018 0.170 0.000 2.161 429 C CB -0.087 27.770 27.740 0.195 0.000 2.515 429 C HN 0.460 nan 8.230 nan 0.000 0.565 430 E N 2.117 122.461 120.200 0.240 0.000 2.340 430 E HA 0.702 5.052 4.350 0.001 0.000 0.273 430 E C -1.483 175.052 176.600 -0.108 0.000 0.891 430 E CA -0.673 55.756 56.400 0.048 0.000 0.757 430 E CB 2.104 31.742 29.700 -0.102 0.000 1.231 430 E HN 0.666 nan 8.360 nan 0.000 0.439 431 I N 2.387 122.728 120.570 -0.382 0.000 2.436 431 I HA 0.398 4.568 4.170 0.001 0.000 0.289 431 I C -1.643 174.329 176.117 -0.241 0.000 1.010 431 I CA -1.053 59.995 61.300 -0.421 0.000 1.098 431 I CB 0.753 38.241 38.000 -0.854 0.000 1.266 431 I HN 0.508 nan 8.210 nan 0.000 0.434 432 F N 7.348 127.261 119.950 -0.061 0.000 2.415 432 F HA 0.441 4.969 4.527 0.001 0.000 0.348 432 F C -0.241 175.583 175.800 0.040 0.000 1.119 432 F CA -0.514 57.494 58.000 0.014 0.000 1.069 432 F CB 1.337 40.349 39.000 0.019 0.000 1.124 432 F HN 0.185 nan 8.300 nan 0.000 0.472 433 L N 5.511 126.867 121.223 0.221 0.000 2.265 433 L HA 0.625 4.965 4.340 0.001 0.000 0.289 433 L C -0.265 176.706 176.870 0.169 0.000 1.033 433 L CA -0.906 54.047 54.840 0.189 0.000 0.814 433 L CB 0.803 43.005 42.059 0.240 0.000 1.203 433 L HN 0.439 nan 8.230 nan 0.000 0.423 434 V N -0.350 119.638 119.914 0.124 0.000 3.019 434 V HA 0.424 4.544 4.120 0.001 0.000 0.317 434 V C 0.792 176.923 176.094 0.061 0.000 1.094 434 V CA -0.705 61.651 62.300 0.094 0.000 1.000 434 V CB 1.909 33.777 31.823 0.076 0.000 1.060 434 V HN 0.737 nan 8.190 nan 0.000 0.443 435 E N 1.409 121.638 120.200 0.048 0.000 2.204 435 E HA 0.271 4.622 4.350 0.001 0.000 0.194 435 E C 0.884 177.495 176.600 0.019 0.000 0.989 435 E CA 1.326 57.744 56.400 0.030 0.000 0.824 435 E CB 0.138 29.856 29.700 0.031 0.000 0.756 435 E HN 1.053 nan 8.360 nan 0.000 0.477 436 G N -0.324 108.489 108.800 0.020 0.000 2.348 436 G HA2 -0.028 3.933 3.960 0.001 0.000 0.296 436 G HA3 -0.028 3.933 3.960 0.001 0.000 0.296 436 G C -0.835 174.072 174.900 0.011 0.000 1.258 436 G CA -0.413 44.695 45.100 0.012 0.000 0.868 436 G HN -0.140 nan 8.290 nan 0.000 0.488 437 D N 0.139 120.543 120.400 0.006 0.000 2.183 437 D HA 0.000 4.641 4.640 0.001 0.000 0.203 437 D C 2.579 178.880 176.300 0.002 0.000 0.969 437 D CA 1.506 55.508 54.000 0.003 0.000 0.842 437 D CB 0.038 40.838 40.800 0.000 0.000 0.957 437 D HN 0.198 nan 8.370 nan 0.000 0.484 438 S N 0.809 116.512 115.700 0.005 0.000 2.359 438 S HA -0.160 4.311 4.470 0.001 0.000 0.224 438 S C 2.128 176.729 174.600 0.001 0.000 1.035 438 S CA 1.306 59.509 58.200 0.004 0.000 1.018 438 S CB -0.151 63.054 63.200 0.010 0.000 0.876 438 S HN 0.372 nan 8.310 nan 0.000 0.448 439 A N 1.325 124.149 122.820 0.006 0.000 1.929 439 A HA 0.194 4.515 4.320 0.001 0.000 0.216 439 A C 2.330 179.912 177.584 -0.002 0.000 1.176 439 A CA 1.485 53.524 52.037 0.003 0.000 0.628 439 A CB -1.334 17.677 19.000 0.018 0.000 0.816 439 A HN 0.510 nan 8.150 nan 0.000 0.444 440 G N -0.236 108.566 108.800 0.003 0.000 2.440 440 G HA2 -0.028 3.933 3.960 0.001 0.000 0.218 440 G HA3 -0.028 3.933 3.960 0.001 0.000 0.218 440 G C 1.516 176.409 174.900 -0.013 0.000 1.154 440 G CA 1.313 46.413 45.100 0.000 0.000 0.767 440 G HN 0.676 nan 8.290 nan 0.000 0.552 441 G N 0.518 109.310 108.800 -0.014 0.000 2.421 441 G HA2 -0.159 3.802 3.960 0.001 0.000 0.216 441 G HA3 -0.159 3.802 3.960 0.001 0.000 0.216 441 G C 2.131 177.013 174.900 -0.029 0.000 1.171 441 G CA 1.412 46.500 45.100 -0.020 0.000 0.775 441 G HN 0.419 nan 8.290 nan 0.000 0.543 442 S N 0.178 115.859 115.700 -0.031 0.000 2.382 442 S HA -0.096 4.375 4.470 0.001 0.000 0.228 442 S C 2.562 177.131 174.600 -0.050 0.000 1.027 442 S CA 1.672 59.847 58.200 -0.042 0.000 0.991 442 S CB -0.353 62.817 63.200 -0.050 0.000 0.823 442 S HN 0.469 nan 8.310 nan 0.000 0.469 443 T N 2.199 116.720 114.554 -0.053 0.000 2.737 443 T HA -0.042 4.309 4.350 0.001 0.000 0.265 443 T C 1.763 176.411 174.700 -0.086 0.000 1.038 443 T CA 1.076 63.126 62.100 -0.083 0.000 1.144 443 T CB -0.173 68.650 68.868 -0.075 0.000 0.866 443 T HN 0.396 nan 8.240 nan 0.000 0.434 444 K N 1.063 121.429 120.400 -0.058 0.000 2.097 444 K HA 0.020 4.341 4.320 0.001 0.000 0.205 444 K C 2.667 179.226 176.600 -0.067 0.000 1.050 444 K CA 1.208 57.463 56.287 -0.053 0.000 0.938 444 K CB -0.077 32.403 32.500 -0.033 0.000 0.718 444 K HN 0.151 nan 8.250 nan 0.000 0.442 445 S N 0.068 115.729 115.700 -0.065 0.000 2.414 445 S HA -0.044 4.427 4.470 0.001 0.000 0.227 445 S C 1.895 176.431 174.600 -0.107 0.000 1.022 445 S CA 1.093 59.248 58.200 -0.076 0.000 0.958 445 S CB 0.144 63.309 63.200 -0.058 0.000 0.797 445 S HN 0.544 nan 8.310 nan 0.000 0.493 446 G N 1.958 110.704 108.800 -0.090 0.000 2.838 446 G HA2 0.050 4.011 3.960 0.001 0.000 0.210 446 G HA3 0.050 4.011 3.960 0.001 0.000 0.210 446 G C 0.535 175.350 174.900 -0.143 0.000 1.153 446 G CA -0.493 44.554 45.100 -0.089 0.000 0.778 446 G HN 0.530 nan 8.290 nan 0.000 0.539 447 R N 0.033 120.455 120.500 -0.129 0.000 2.738 447 R HA 0.320 4.661 4.340 0.001 0.000 0.275 447 R C -0.987 175.158 176.300 -0.258 0.000 1.121 447 R CA -0.355 55.680 56.100 -0.109 0.000 1.207 447 R CB 0.377 30.617 30.300 -0.100 0.000 1.141 447 R HN -0.092 nan 8.270 nan 0.000 0.571 448 D N 0.161 120.489 120.400 -0.119 0.000 2.473 448 D HA 0.046 4.687 4.640 0.001 0.000 0.226 448 D C 0.640 176.926 176.300 -0.023 0.000 1.089 448 D CA -0.339 53.584 54.000 -0.127 0.000 0.883 448 D CB 1.181 41.992 40.800 0.020 0.000 1.029 448 D HN 0.649 nan 8.370 nan 0.000 0.517 449 S N 3.654 119.323 115.700 -0.051 0.000 2.465 449 S HA -0.193 4.278 4.470 0.001 0.000 0.241 449 S C 1.670 176.284 174.600 0.024 0.000 1.000 449 S CA 0.569 58.765 58.200 -0.007 0.000 0.964 449 S CB -0.057 63.129 63.200 -0.024 0.000 0.763 449 S HN 0.468 nan 8.310 nan 0.000 0.512 450 R N 1.086 121.596 120.500 0.015 0.000 2.081 450 R HA -0.035 4.306 4.340 0.001 0.000 0.235 450 R C 2.340 178.677 176.300 0.061 0.000 1.131 450 R CA 1.831 57.949 56.100 0.029 0.000 0.960 450 R CB -0.649 29.661 30.300 0.016 0.000 0.856 450 R HN 0.772 nan 8.270 nan 0.000 0.436 451 T N -3.372 111.235 114.554 0.088 0.000 3.043 451 T HA 0.172 4.523 4.350 0.001 0.000 0.272 451 T C 0.365 175.175 174.700 0.183 0.000 0.990 451 T CA -0.382 61.792 62.100 0.122 0.000 0.897 451 T CB 0.558 69.489 68.868 0.105 0.000 1.111 451 T HN -0.002 nan 8.240 nan 0.000 0.529 452 Q N 1.392 121.302 119.800 0.183 0.000 2.368 452 Q HA 0.738 5.079 4.340 0.001 0.000 0.263 452 Q C -0.825 175.292 176.000 0.195 0.000 1.009 452 Q CA -0.717 55.234 55.803 0.248 0.000 0.818 452 Q CB 1.983 30.872 28.738 0.251 0.000 1.239 452 Q HN 0.497 nan 8.270 nan 0.000 0.464 453 A N 3.529 126.466 122.820 0.194 0.000 2.279 453 A HA 0.795 5.115 4.320 0.001 0.000 0.303 453 A C -0.492 177.160 177.584 0.113 0.000 1.108 453 A CA -0.484 51.621 52.037 0.112 0.000 0.830 453 A CB 0.675 19.701 19.000 0.044 0.000 1.106 453 A HN 0.761 nan 8.150 nan 0.000 0.493 454 I N 1.018 121.632 120.570 0.073 0.000 2.534 454 I HA 0.317 4.488 4.170 0.001 0.000 0.288 454 I C -1.342 174.801 176.117 0.044 0.000 1.077 454 I CA -0.457 60.892 61.300 0.082 0.000 1.051 454 I CB 2.029 40.061 38.000 0.053 0.000 1.234 454 I HN 0.470 nan 8.210 nan 0.000 0.425 455 L N 9.610 130.861 121.223 0.047 0.000 2.353 455 L HA 0.645 4.986 4.340 0.001 0.000 0.270 455 L C -2.573 174.318 176.870 0.034 0.000 1.003 455 L CA -1.774 53.078 54.840 0.019 0.000 0.862 455 L CB 1.260 43.309 42.059 -0.016 0.000 1.221 455 L HN 0.224 nan 8.230 nan 0.000 0.430 456 P HA 0.270 nan 4.420 nan 0.000 0.280 456 P C -0.444 176.860 177.300 0.006 0.000 1.244 456 P CA -0.190 62.923 63.100 0.021 0.000 0.784 456 P CB 1.468 33.176 31.700 0.013 0.000 0.913 457 L N 3.461 124.689 121.223 0.008 0.000 2.994 457 L HA 0.512 4.853 4.340 0.001 0.000 0.198 457 L C 1.313 178.174 176.870 -0.014 0.000 1.530 457 L CA -0.877 53.956 54.840 -0.012 0.000 1.565 457 L CB 0.311 42.363 42.059 -0.012 0.000 2.470 457 L HN 0.228 nan 8.230 nan 0.000 0.564 458 R N -0.131 120.354 120.500 -0.024 0.000 2.638 458 R HA 0.355 4.696 4.340 0.001 0.000 0.261 458 R C -0.184 176.104 176.300 -0.019 0.000 1.515 458 R CA 0.269 56.358 56.100 -0.019 0.000 1.623 458 R CB 0.999 31.285 30.300 -0.023 0.000 1.347 458 R HN 0.866 nan 8.270 nan 0.000 0.705 459 G N 1.846 110.638 108.800 -0.013 0.000 2.539 459 G HA2 -0.291 3.670 3.960 0.001 0.000 0.256 459 G HA3 -0.291 3.670 3.960 0.001 0.000 0.256 459 G C -0.704 174.172 174.900 -0.039 0.000 1.233 459 G CA -0.673 44.420 45.100 -0.012 0.000 0.936 459 G HN 0.233 nan 8.290 nan 0.000 0.571 460 K N 1.249 121.624 120.400 -0.042 0.000 2.472 460 K HA 0.227 4.548 4.320 0.001 0.000 0.280 460 K C 1.050 177.591 176.600 -0.098 0.000 1.028 460 K CA 0.607 56.841 56.287 -0.089 0.000 1.045 460 K CB -0.178 32.289 32.500 -0.054 0.000 0.902 460 K HN 0.844 nan 8.250 nan 0.000 0.478 461 I N -0.311 120.176 120.570 -0.138 0.000 2.797 461 I HA 0.257 4.428 4.170 0.001 0.000 0.310 461 I C 0.236 176.273 176.117 -0.133 0.000 0.990 461 I CA -1.301 59.914 61.300 -0.141 0.000 1.228 461 I CB 0.653 38.546 38.000 -0.178 0.000 1.406 461 I HN 0.259 nan 8.210 nan 0.000 0.534 462 L N 3.563 124.706 121.223 -0.134 0.000 2.525 462 L HA 0.070 4.410 4.340 0.001 0.000 0.278 462 L C 0.185 177.011 176.870 -0.072 0.000 1.218 462 L CA 0.734 55.516 54.840 -0.097 0.000 0.878 462 L CB -0.255 41.733 42.059 -0.118 0.000 1.127 462 L HN 0.780 nan 8.230 nan 0.000 0.492 463 N N 3.443 122.133 118.700 -0.015 0.000 2.439 463 N HA 0.053 4.794 4.740 0.001 0.000 0.243 463 N C 0.824 176.373 175.510 0.064 0.000 1.088 463 N CA 0.120 53.190 53.050 0.033 0.000 0.940 463 N CB 0.826 39.355 38.487 0.071 0.000 1.180 463 N HN 0.553 nan 8.380 nan 0.000 0.505 464 V N 1.384 121.359 119.914 0.102 0.000 3.078 464 V HA -0.029 4.092 4.120 0.001 0.000 0.265 464 V C 1.648 177.864 176.094 0.204 0.000 1.122 464 V CA 1.349 63.761 62.300 0.186 0.000 1.141 464 V CB -0.591 31.447 31.823 0.358 0.000 0.735 464 V HN 0.481 nan 8.190 nan 0.000 0.498 465 E N 1.033 121.322 120.200 0.149 0.000 2.285 465 E HA -0.027 4.323 4.350 0.001 0.000 0.194 465 E C 2.044 178.695 176.600 0.086 0.000 0.997 465 E CA 1.143 57.610 56.400 0.112 0.000 0.845 465 E CB -0.061 29.699 29.700 0.101 0.000 0.782 465 E HN 0.703 nan 8.360 nan 0.000 0.491 466 K N -0.861 119.589 120.400 0.083 0.000 2.360 466 K HA 0.349 4.669 4.320 0.001 0.000 0.196 466 K C 0.086 176.724 176.600 0.062 0.000 1.049 466 K CA 0.232 56.559 56.287 0.067 0.000 1.049 466 K CB 1.155 33.695 32.500 0.067 0.000 0.881 466 K HN 0.001 nan 8.250 nan 0.000 0.542 467 A N 1.637 124.499 122.820 0.070 0.000 2.293 467 A HA 0.437 4.758 4.320 0.001 0.000 0.302 467 A C -0.360 177.268 177.584 0.073 0.000 1.119 467 A CA -0.536 51.536 52.037 0.058 0.000 0.823 467 A CB 0.508 19.532 19.000 0.039 0.000 1.097 467 A HN 0.139 nan 8.150 nan 0.000 0.491 468 R N 0.445 120.979 120.500 0.056 0.000 2.531 468 R HA 0.210 4.551 4.340 0.001 0.000 0.273 468 R C 1.024 177.369 176.300 0.075 0.000 1.070 468 R CA -0.723 55.415 56.100 0.062 0.000 1.112 468 R CB 0.396 30.721 30.300 0.042 0.000 1.049 468 R HN 0.685 nan 8.270 nan 0.000 0.508 469 L N 2.619 123.902 121.223 0.099 0.000 2.043 469 L HA -0.262 4.079 4.340 0.001 0.000 0.212 469 L C 1.545 178.458 176.870 0.071 0.000 1.075 469 L CA 2.457 57.373 54.840 0.127 0.000 0.752 469 L CB -0.674 41.468 42.059 0.137 0.000 0.891 469 L HN 0.844 nan 8.230 nan 0.000 0.432 470 D N -1.618 118.810 120.400 0.047 0.000 2.117 470 D HA -0.274 4.367 4.640 0.001 0.000 0.197 470 D C 2.251 178.554 176.300 0.005 0.000 0.987 470 D CA 1.381 55.396 54.000 0.025 0.000 0.829 470 D CB -0.447 40.366 40.800 0.021 0.000 0.961 470 D HN 0.357 nan 8.370 nan 0.000 0.460 471 R N 0.227 120.729 120.500 0.004 0.000 2.092 471 R HA -0.019 4.322 4.340 0.001 0.000 0.231 471 R C 2.309 178.581 176.300 -0.046 0.000 1.119 471 R CA 1.077 57.168 56.100 -0.015 0.000 0.970 471 R CB -0.224 30.073 30.300 -0.006 0.000 0.864 471 R HN 0.304 nan 8.270 nan 0.000 0.440 472 I N 0.834 121.374 120.570 -0.050 0.000 2.226 472 I HA -0.295 3.875 4.170 0.001 0.000 0.245 472 I C 2.001 178.025 176.117 -0.156 0.000 1.100 472 I CA 1.205 62.426 61.300 -0.132 0.000 1.374 472 I CB -0.181 37.720 38.000 -0.166 0.000 1.057 472 I HN 0.213 nan 8.210 nan 0.000 0.413 473 L N 0.402 121.573 121.223 -0.086 0.000 2.291 473 L HA -0.118 4.223 4.340 0.001 0.000 0.214 473 L C 2.210 179.047 176.870 -0.055 0.000 1.120 473 L CA 0.773 55.577 54.840 -0.060 0.000 0.799 473 L CB -0.619 41.437 42.059 -0.006 0.000 0.925 473 L HN 0.387 nan 8.230 nan 0.000 0.446 474 N N 0.211 118.879 118.700 -0.053 0.000 2.392 474 N HA -0.096 4.645 4.740 0.001 0.000 0.177 474 N C 0.578 176.049 175.510 -0.065 0.000 1.066 474 N CA 0.010 53.032 53.050 -0.046 0.000 0.895 474 N CB 0.192 38.661 38.487 -0.030 0.000 0.988 474 N HN 0.251 nan 8.380 nan 0.000 0.457 475 N N 1.778 120.422 118.700 -0.094 0.000 2.468 475 N HA -0.072 4.669 4.740 0.001 0.000 0.265 475 N C 0.742 176.181 175.510 -0.119 0.000 1.199 475 N CA 0.183 53.167 53.050 -0.111 0.000 0.928 475 N CB 0.315 38.714 38.487 -0.147 0.000 1.059 475 N HN 0.284 nan 8.380 nan 0.000 0.467 476 N N 2.979 121.623 118.700 -0.093 0.000 2.104 476 N HA -0.208 4.533 4.740 0.001 0.000 0.190 476 N C 0.413 175.859 175.510 -0.107 0.000 1.024 476 N CA 1.304 54.303 53.050 -0.084 0.000 0.853 476 N CB 0.254 38.705 38.487 -0.061 0.000 1.008 476 N HN 0.552 nan 8.380 nan 0.000 0.424 477 E N 0.414 120.535 120.200 -0.131 0.000 2.152 477 E HA -0.021 4.330 4.350 0.001 0.000 0.192 477 E C 1.911 178.377 176.600 -0.223 0.000 0.983 477 E CA 0.398 56.707 56.400 -0.152 0.000 0.818 477 E CB 0.022 29.635 29.700 -0.144 0.000 0.758 477 E HN 0.396 nan 8.360 nan 0.000 0.467 478 I N 0.761 121.148 120.570 -0.305 0.000 2.252 478 I HA -0.210 3.961 4.170 0.001 0.000 0.245 478 I C 1.973 177.953 176.117 -0.229 0.000 1.102 478 I CA 1.301 62.321 61.300 -0.465 0.000 1.385 478 I CB -0.826 36.838 38.000 -0.560 0.000 1.064 478 I HN 0.129 nan 8.210 nan 0.000 0.414 479 R N 0.590 121.000 120.500 -0.149 0.000 2.073 479 R HA -0.175 4.166 4.340 0.001 0.000 0.234 479 R C 2.217 178.475 176.300 -0.069 0.000 1.134 479 R CA 1.215 57.271 56.100 -0.074 0.000 0.952 479 R CB -0.489 29.773 30.300 -0.063 0.000 0.850 479 R HN 0.482 nan 8.270 nan 0.000 0.433 480 Q N 0.237 119.980 119.800 -0.095 0.000 2.135 480 Q HA -0.143 4.198 4.340 0.001 0.000 0.204 480 Q C 2.212 178.115 176.000 -0.162 0.000 0.981 480 Q CA 1.543 57.287 55.803 -0.099 0.000 0.856 480 Q CB -0.085 28.599 28.738 -0.089 0.000 0.902 480 Q HN 0.410 nan 8.270 nan 0.000 0.425 481 M N -0.065 119.418 119.600 -0.195 0.000 2.099 481 M HA -0.142 4.338 4.480 0.001 0.000 0.262 481 M C 2.196 178.246 176.300 -0.417 0.000 1.067 481 M CA 1.351 56.404 55.300 -0.410 0.000 1.124 481 M CB -0.277 32.266 32.600 -0.095 0.000 1.353 481 M HN 0.209 nan 8.290 nan 0.000 0.410 482 I N -0.222 120.360 120.570 0.020 0.000 2.163 482 I HA -0.294 3.877 4.170 0.001 0.000 0.243 482 I C 2.297 178.461 176.117 0.077 0.000 1.085 482 I CA 1.448 62.861 61.300 0.188 0.000 1.347 482 I CB -0.821 37.308 38.000 0.216 0.000 1.044 482 I HN 0.324 nan 8.210 nan 0.000 0.408 483 T N 0.669 115.223 114.554 -0.000 0.000 2.788 483 T HA -0.115 4.236 4.350 0.001 0.000 0.268 483 T C 2.039 176.742 174.700 0.004 0.000 1.044 483 T CA 1.400 63.502 62.100 0.004 0.000 1.139 483 T CB -0.257 68.604 68.868 -0.012 0.000 0.867 483 T HN 0.491 nan 8.240 nan 0.000 0.454 484 A N 1.024 123.799 122.820 -0.075 0.000 1.898 484 A HA 0.064 4.385 4.320 0.001 0.000 0.216 484 A C 1.855 179.552 177.584 0.189 0.000 1.181 484 A CA 1.127 53.159 52.037 -0.007 0.000 0.620 484 A CB -0.782 18.119 19.000 -0.164 0.000 0.819 484 A HN 0.449 nan 8.150 nan 0.000 0.442 485 F N -0.297 119.793 119.950 0.233 0.000 2.259 485 F HA 0.225 4.752 4.527 0.001 0.000 0.298 485 F C 2.148 178.004 175.800 0.093 0.000 1.088 485 F CA 0.309 58.441 58.000 0.219 0.000 1.358 485 F CB -1.133 37.982 39.000 0.192 0.000 1.040 485 F HN 0.371 nan 8.300 nan 0.000 0.505 486 G N 0.078 109.003 108.800 0.207 0.000 2.179 486 G HA2 -0.353 3.608 3.960 0.001 0.000 0.257 486 G HA3 -0.353 3.608 3.960 0.001 0.000 0.257 486 G C 1.034 175.934 174.900 -0.000 0.000 1.010 486 G CA 0.938 46.084 45.100 0.076 0.000 0.736 486 G HN 0.507 nan 8.290 nan 0.000 0.513 487 T N -3.235 111.308 114.554 -0.018 0.000 3.023 487 T HA 0.525 4.876 4.350 0.001 0.000 0.249 487 T C 2.031 176.590 174.700 -0.236 0.000 1.050 487 T CA 1.417 63.343 62.100 -0.289 0.000 1.088 487 T CB 0.801 69.271 68.868 -0.663 0.000 0.946 487 T HN 2.326 nan 8.240 nan 0.000 0.480 488 G N 2.085 110.883 108.800 -0.003 0.000 2.508 488 G HA2 0.049 4.009 3.960 0.001 0.000 0.220 488 G HA3 0.049 4.009 3.960 0.001 0.000 0.220 488 G C -0.725 174.311 174.900 0.226 0.000 1.287 488 G CA -0.340 44.810 45.100 0.083 0.000 0.916 488 G HN 1.496 nan 8.290 nan 0.000 0.574 489 I N -3.476 117.245 120.570 0.252 0.000 2.828 489 I HA 0.698 4.869 4.170 0.001 0.000 0.295 489 I C 0.766 177.028 176.117 0.242 0.000 1.459 489 I CA -0.012 61.483 61.300 0.326 0.000 1.015 489 I CB 1.538 39.741 38.000 0.337 0.000 1.345 489 I HN 2.753 nan 8.210 nan 0.000 0.449 490 G N 3.537 112.432 108.800 0.158 0.000 2.514 490 G HA2 -0.210 3.751 3.960 0.001 0.000 0.265 490 G HA3 -0.210 3.751 3.960 0.001 0.000 0.265 490 G C 0.711 175.635 174.900 0.040 0.000 1.150 490 G CA 0.586 45.703 45.100 0.029 0.000 0.959 490 G HN 1.667 nan 8.290 nan 0.000 0.556 491 G N -0.493 108.324 108.800 0.029 0.000 2.448 491 G HA2 0.168 4.129 3.960 0.001 0.000 0.218 491 G HA3 0.168 4.129 3.960 0.001 0.000 0.218 491 G C 1.029 175.970 174.900 0.067 0.000 1.135 491 G CA 1.686 46.803 45.100 0.028 0.000 0.784 491 G HN 0.620 nan 8.290 nan 0.000 0.543 492 D N -0.434 120.018 120.400 0.087 0.000 2.328 492 D HA 0.080 4.721 4.640 0.001 0.000 0.226 492 D C 0.339 176.696 176.300 0.095 0.000 1.066 492 D CA -0.525 53.520 54.000 0.075 0.000 0.861 492 D CB -0.110 40.728 40.800 0.063 0.000 0.912 492 D HN 0.283 nan 8.370 nan 0.000 0.521 493 F N 1.766 121.709 119.950 -0.012 0.000 2.529 493 F HA 0.151 4.679 4.527 0.001 0.000 0.365 493 F C 0.228 176.007 175.800 -0.034 0.000 1.102 493 F CA 0.055 58.042 58.000 -0.022 0.000 1.271 493 F CB 0.670 39.638 39.000 -0.053 0.000 1.120 493 F HN -0.289 nan 8.300 nan 0.000 0.579 494 D N 6.098 126.095 120.400 -0.672 0.000 2.476 494 D HA 0.107 4.747 4.640 0.001 0.000 0.251 494 D C 0.308 176.246 176.300 -0.604 0.000 1.291 494 D CA -0.451 53.306 54.000 -0.405 0.000 0.939 494 D CB 1.352 42.024 40.800 -0.213 0.000 1.221 494 D HN 0.581 nan 8.370 nan 0.000 0.567 495 L N 4.182 125.194 121.223 -0.352 0.000 2.131 495 L HA 0.073 4.413 4.340 0.001 0.000 0.210 495 L C 1.950 178.733 176.870 -0.145 0.000 1.092 495 L CA 2.192 56.893 54.840 -0.232 0.000 0.759 495 L CB -0.317 41.712 42.059 -0.050 0.000 0.903 495 L HN 0.492 nan 8.230 nan 0.000 0.435 496 A N -0.937 121.824 122.820 -0.098 0.000 2.015 496 A HA -0.161 4.159 4.320 0.001 0.000 0.219 496 A C 2.139 179.700 177.584 -0.038 0.000 1.163 496 A CA 1.380 53.397 52.037 -0.033 0.000 0.646 496 A CB -0.446 18.542 19.000 -0.019 0.000 0.806 496 A HN 0.506 nan 8.150 nan 0.000 0.448 497 K N 0.259 120.601 120.400 -0.097 0.000 2.487 497 K HA 0.292 4.612 4.320 0.001 0.000 0.192 497 K C 0.570 177.131 176.600 -0.064 0.000 1.027 497 K CA 0.186 56.425 56.287 -0.080 0.000 1.054 497 K CB -0.106 32.332 32.500 -0.104 0.000 0.824 497 K HN 0.433 nan 8.250 nan 0.000 0.510 498 A N 1.584 124.372 122.820 -0.053 0.000 2.546 498 A HA -0.012 4.308 4.320 0.001 0.000 0.243 498 A C 0.758 178.351 177.584 0.015 0.000 1.063 498 A CA 0.093 52.139 52.037 0.015 0.000 0.757 498 A CB 0.216 19.272 19.000 0.094 0.000 0.991 498 A HN 0.334 nan 8.150 nan 0.000 0.503 499 R N 0.629 121.115 120.500 -0.023 0.000 2.246 499 R HA 0.094 4.435 4.340 0.001 0.000 0.199 499 R C -0.853 175.116 176.300 -0.550 0.000 0.984 499 R CA 0.821 56.738 56.100 -0.305 0.000 1.015 499 R CB 0.115 30.157 30.300 -0.431 0.000 0.930 499 R HN 0.782 nan 8.270 nan 0.000 0.475 500 Y N -1.984 118.401 120.300 0.141 0.000 2.492 500 Y HA 0.243 4.794 4.550 0.001 0.000 0.346 500 Y C 0.375 176.278 175.900 0.004 0.000 0.997 500 Y CA -1.018 57.144 58.100 0.103 0.000 1.025 500 Y CB 1.388 39.909 38.460 0.101 0.000 1.263 500 Y HN -0.145 nan 8.280 nan 0.000 0.454 501 H N 0.052 119.035 119.070 -0.144 0.000 2.553 501 H HA 0.285 4.841 4.556 0.001 0.000 0.265 501 H C -0.579 174.493 175.328 -0.425 0.000 0.964 501 H CA 0.187 55.856 56.048 -0.633 0.000 1.156 501 H CB 0.450 29.881 29.762 -0.552 0.000 1.411 501 H HN 0.321 nan 8.280 nan 0.000 0.558 502 K N 0.965 121.342 120.400 -0.039 0.000 2.604 502 K HA 0.296 4.617 4.320 0.001 0.000 0.247 502 K C -1.311 175.253 176.600 -0.060 0.000 0.956 502 K CA -0.645 55.625 56.287 -0.030 0.000 0.896 502 K CB 2.021 34.329 32.500 -0.320 0.000 1.131 502 K HN -0.099 nan 8.250 nan 0.000 0.440 503 I N 3.211 123.777 120.570 -0.006 0.000 2.297 503 I HA 0.133 4.304 4.170 0.001 0.000 0.291 503 I C -0.352 175.727 176.117 -0.064 0.000 1.033 503 I CA -0.614 60.622 61.300 -0.107 0.000 1.253 503 I CB 1.459 39.254 38.000 -0.342 0.000 1.396 503 I HN 0.204 nan 8.210 nan 0.000 0.476 504 V N 7.582 127.384 119.914 -0.186 0.000 2.347 504 V HA 0.401 4.522 4.120 0.001 0.000 0.280 504 V C 0.340 176.440 176.094 0.010 0.000 1.021 504 V CA -0.653 61.537 62.300 -0.183 0.000 0.847 504 V CB 1.157 32.568 31.823 -0.686 0.000 0.990 504 V HN 0.441 nan 8.190 nan 0.000 0.444 505 I N 5.805 126.452 120.570 0.127 0.000 2.379 505 I HA 0.310 4.481 4.170 0.001 0.000 0.290 505 I C 0.244 176.464 176.117 0.172 0.000 1.063 505 I CA 0.395 61.810 61.300 0.191 0.000 1.351 505 I CB 0.653 38.792 38.000 0.231 0.000 1.410 505 I HN 0.621 nan 8.210 nan 0.000 0.505 506 M N 7.781 127.493 119.600 0.187 0.000 2.389 506 M HA 0.216 4.697 4.480 0.001 0.000 0.206 506 M C -0.029 176.353 176.300 0.138 0.000 0.976 506 M CA -0.440 54.971 55.300 0.185 0.000 0.648 506 M CB 0.520 33.283 32.600 0.273 0.000 1.474 506 M HN 0.706 nan 8.290 nan 0.000 0.398 507 T N -1.848 112.775 114.554 0.116 0.000 2.788 507 T HA 0.379 4.729 4.350 0.001 0.000 0.280 507 T C 0.098 174.848 174.700 0.082 0.000 0.984 507 T CA -0.769 61.384 62.100 0.089 0.000 0.972 507 T CB 0.731 69.644 68.868 0.075 0.000 1.039 507 T HN 0.378 nan 8.240 nan 0.000 0.530 508 D N 0.537 120.980 120.400 0.072 0.000 2.382 508 D HA 0.355 4.996 4.640 0.001 0.000 0.240 508 D C 0.378 176.730 176.300 0.086 0.000 1.146 508 D CA -0.185 53.860 54.000 0.074 0.000 0.897 508 D CB 0.507 41.347 40.800 0.068 0.000 1.197 508 D HN 0.808 nan 8.370 nan 0.000 0.432 509 A N 1.921 124.799 122.820 0.097 0.000 3.033 509 A HA 0.225 4.546 4.320 0.001 0.000 0.250 509 A C -0.279 177.363 177.584 0.097 0.000 1.633 509 A CA -0.281 51.818 52.037 0.103 0.000 1.290 509 A CB -0.778 18.297 19.000 0.125 0.000 1.048 509 A HN 0.492 nan 8.150 nan 0.000 0.648 510 D N -2.263 118.193 120.400 0.092 0.000 2.592 510 D HA 0.292 4.932 4.640 0.001 0.000 0.263 510 D C 0.954 177.322 176.300 0.114 0.000 1.132 510 D CA 0.036 54.092 54.000 0.093 0.000 0.996 510 D CB 0.544 41.392 40.800 0.080 0.000 1.442 510 D HN 0.275 nan 8.370 nan 0.000 0.486 511 V N -2.105 117.890 119.914 0.134 0.000 2.469 511 V HA -0.167 3.954 4.120 0.001 0.000 0.251 511 V C 1.102 177.348 176.094 0.254 0.000 1.064 511 V CA 1.886 64.297 62.300 0.185 0.000 1.066 511 V CB -0.682 31.241 31.823 0.167 0.000 0.667 511 V HN 0.507 nan 8.190 nan 0.000 0.461 512 D N 1.359 121.888 120.400 0.215 0.000 2.234 512 D HA -0.011 4.630 4.640 0.001 0.000 0.205 512 D C 2.222 178.562 176.300 0.067 0.000 0.962 512 D CA 1.542 55.635 54.000 0.155 0.000 0.855 512 D CB -0.111 40.788 40.800 0.165 0.000 0.951 512 D HN 0.610 nan 8.370 nan 0.000 0.500 513 G N 1.151 110.000 108.800 0.082 0.000 2.408 513 G HA2 -0.142 3.818 3.960 0.001 0.000 0.217 513 G HA3 -0.142 3.818 3.960 0.001 0.000 0.217 513 G C 1.732 176.668 174.900 0.060 0.000 1.150 513 G CA 0.910 46.047 45.100 0.063 0.000 0.776 513 G HN 0.327 nan 8.290 nan 0.000 0.542 514 A N 0.024 122.893 122.820 0.082 0.000 1.898 514 A HA -0.074 4.246 4.320 0.001 0.000 0.216 514 A C 2.049 179.675 177.584 0.069 0.000 1.181 514 A CA 1.789 53.880 52.037 0.089 0.000 0.620 514 A CB -0.863 18.205 19.000 0.114 0.000 0.819 514 A HN 0.565 nan 8.150 nan 0.000 0.442 515 H N -0.279 118.690 119.070 -0.169 0.000 2.321 515 H HA -0.091 4.466 4.556 0.001 0.000 0.300 515 H C 1.955 177.174 175.328 -0.182 0.000 1.087 515 H CA 1.751 57.570 56.048 -0.382 0.000 1.319 515 H CB -0.086 29.000 29.762 -1.127 0.000 1.379 515 H HN 0.463 nan 8.280 nan 0.000 0.501 516 I N 0.412 120.862 120.570 -0.199 0.000 2.361 516 I HA -0.250 3.921 4.170 0.001 0.000 0.251 516 I C 2.883 178.952 176.117 -0.080 0.000 1.133 516 I CA 0.840 62.028 61.300 -0.186 0.000 1.413 516 I CB -0.310 37.634 38.000 -0.093 0.000 1.073 516 I HN 0.254 nan 8.210 nan 0.000 0.424 517 R N 0.714 121.212 120.500 -0.003 0.000 2.075 517 R HA -0.158 4.182 4.340 0.001 0.000 0.232 517 R C 2.555 178.898 176.300 0.071 0.000 1.126 517 R CA 2.103 58.239 56.100 0.059 0.000 0.963 517 R CB -0.286 30.068 30.300 0.091 0.000 0.858 517 R HN 0.491 nan 8.270 nan 0.000 0.435 518 T N -0.989 113.612 114.554 0.078 0.000 2.833 518 T HA -0.093 4.258 4.350 0.001 0.000 0.269 518 T C 2.010 176.773 174.700 0.105 0.000 1.054 518 T CA 0.992 63.172 62.100 0.133 0.000 1.135 518 T CB -0.293 68.728 68.868 0.256 0.000 0.869 518 T HN 0.169 nan 8.240 nan 0.000 0.466 519 L N 0.073 121.286 121.223 -0.016 0.000 2.093 519 L HA 0.114 4.455 4.340 0.001 0.000 0.208 519 L C 2.784 179.623 176.870 -0.051 0.000 1.085 519 L CA 0.967 55.773 54.840 -0.057 0.000 0.755 519 L CB -0.523 41.413 42.059 -0.205 0.000 0.904 519 L HN 0.244 nan 8.230 nan 0.000 0.435 520 L N -0.756 120.413 121.223 -0.091 0.000 2.056 520 L HA -0.195 4.146 4.340 0.001 0.000 0.207 520 L C 2.456 179.111 176.870 -0.359 0.000 1.078 520 L CA 1.031 55.716 54.840 -0.259 0.000 0.749 520 L CB -0.367 41.609 42.059 -0.138 0.000 0.901 520 L HN 0.244 nan 8.230 nan 0.000 0.433 521 L N -0.852 120.381 121.223 0.017 0.000 2.083 521 L HA -0.187 4.154 4.340 0.001 0.000 0.209 521 L C 2.615 179.601 176.870 0.193 0.000 1.083 521 L CA 1.340 56.313 54.840 0.222 0.000 0.752 521 L CB -0.788 41.468 42.059 0.329 0.000 0.899 521 L HN 0.258 nan 8.230 nan 0.000 0.433 522 T N -0.164 114.520 114.554 0.218 0.000 2.720 522 T HA -0.237 4.114 4.350 0.001 0.000 0.268 522 T C 1.582 176.313 174.700 0.052 0.000 1.037 522 T CA 1.642 63.811 62.100 0.115 0.000 1.144 522 T CB -0.365 68.640 68.868 0.229 0.000 0.864 522 T HN 0.267 nan 8.240 nan 0.000 0.444 523 F N 1.558 121.459 119.950 -0.082 0.000 2.102 523 F HA -0.022 4.506 4.527 0.001 0.000 0.298 523 F C 1.631 177.489 175.800 0.097 0.000 1.105 523 F CA 0.903 58.890 58.000 -0.023 0.000 1.239 523 F CB -0.598 38.275 39.000 -0.212 0.000 0.991 523 F HN 0.071 nan 8.300 nan 0.000 0.474 524 F N -0.674 119.202 119.950 -0.124 0.000 2.134 524 F HA -0.150 4.378 4.527 0.001 0.000 0.299 524 F C 2.371 178.007 175.800 -0.273 0.000 1.097 524 F CA 1.324 59.160 58.000 -0.272 0.000 1.264 524 F CB -1.826 37.119 39.000 -0.091 0.000 1.001 524 F HN 0.105 nan 8.300 nan 0.000 0.479 525 Y N 0.795 120.977 120.300 -0.198 0.000 2.242 525 Y HA -0.099 4.452 4.550 0.001 0.000 0.291 525 Y C 2.308 177.954 175.900 -0.422 0.000 1.137 525 Y CA 1.414 59.277 58.100 -0.395 0.000 1.181 525 Y CB -0.038 37.931 38.460 -0.817 0.000 0.989 525 Y HN -0.226 nan 8.280 nan 0.000 0.527 526 R N -1.299 118.994 120.500 -0.345 0.000 2.210 526 R HA 0.049 4.390 4.340 0.001 0.000 0.203 526 R C 0.980 176.871 176.300 -0.682 0.000 1.010 526 R CA 0.843 56.656 56.100 -0.479 0.000 1.008 526 R CB -0.432 29.677 30.300 -0.320 0.000 0.923 526 R HN 0.411 nan 8.270 nan 0.000 0.469 527 F N -1.623 118.106 119.950 -0.367 0.000 2.789 527 F HA 0.342 4.870 4.527 0.001 0.000 0.320 527 F C 1.004 176.600 175.800 -0.340 0.000 1.079 527 F CA 0.128 57.938 58.000 -0.317 0.000 1.205 527 F CB 0.579 39.400 39.000 -0.299 0.000 1.046 527 F HN -0.234 nan 8.300 nan 0.000 0.586 528 M N -0.096 119.330 119.600 -0.290 0.000 3.404 528 M HA 0.236 4.717 4.480 0.001 0.000 0.398 528 M C 1.260 177.211 176.300 -0.582 0.000 1.599 528 M CA 0.001 55.049 55.300 -0.420 0.000 0.696 528 M CB 0.856 33.384 32.600 -0.119 0.000 1.427 528 M HN -0.065 nan 8.290 nan 0.000 0.502 529 R N 1.473 121.596 120.500 -0.628 0.000 2.127 529 R HA -0.084 4.257 4.340 0.001 0.000 0.238 529 R C -1.056 174.918 176.300 -0.542 0.000 1.134 529 R CA 1.684 57.439 56.100 -0.575 0.000 0.975 529 R CB -0.498 29.396 30.300 -0.677 0.000 0.865 529 R HN 0.235 nan 8.270 nan 0.000 0.447 530 P HA -0.113 nan 4.420 nan 0.000 0.221 530 P C 1.118 178.138 177.300 -0.466 0.000 1.150 530 P CA 0.635 63.385 63.100 -0.583 0.000 0.800 530 P CB -0.030 31.261 31.700 -0.682 0.000 0.787 531 L N -0.584 120.336 121.223 -0.506 0.000 2.079 531 L HA -0.141 4.200 4.340 0.001 0.000 0.210 531 L C 2.054 178.730 176.870 -0.324 0.000 1.081 531 L CA 1.847 56.486 54.840 -0.335 0.000 0.752 531 L CB -0.981 40.920 42.059 -0.263 0.000 0.896 531 L HN -0.115 nan 8.230 nan 0.000 0.433 532 I N -0.956 119.451 120.570 -0.272 0.000 2.286 532 I HA -0.216 3.955 4.170 0.001 0.000 0.245 532 I C 2.279 178.303 176.117 -0.155 0.000 1.104 532 I CA 1.053 62.251 61.300 -0.170 0.000 1.397 532 I CB -0.365 37.596 38.000 -0.065 0.000 1.072 532 I HN 0.295 nan 8.210 nan 0.000 0.417 533 E N 1.230 121.320 120.200 -0.183 0.000 2.106 533 E HA -0.165 4.186 4.350 0.001 0.000 0.192 533 E C 2.187 178.698 176.600 -0.148 0.000 0.984 533 E CA 1.211 57.523 56.400 -0.146 0.000 0.806 533 E CB -0.172 29.433 29.700 -0.158 0.000 0.750 533 E HN 0.485 nan 8.360 nan 0.000 0.458 534 A N 0.443 123.122 122.820 -0.235 0.000 2.209 534 A HA 0.154 4.475 4.320 0.001 0.000 0.212 534 A C 1.756 179.321 177.584 -0.032 0.000 1.158 534 A CA 0.894 52.783 52.037 -0.246 0.000 0.742 534 A CB -0.471 18.135 19.000 -0.656 0.000 0.790 534 A HN 0.348 nan 8.150 nan 0.000 0.472 535 G N -2.492 106.281 108.800 -0.044 0.000 2.147 535 G HA2 -0.304 3.656 3.960 0.001 0.000 0.244 535 G HA3 -0.304 3.656 3.960 0.001 0.000 0.244 535 G C 0.416 175.350 174.900 0.057 0.000 1.005 535 G CA 0.550 45.635 45.100 -0.025 0.000 0.713 535 G HN 0.424 nan 8.290 nan 0.000 0.515 536 Y N -0.426 119.758 120.300 -0.192 0.000 2.519 536 Y HA 0.303 4.853 4.550 0.001 0.000 0.287 536 Y C 1.817 177.627 175.900 -0.149 0.000 1.128 536 Y CA -0.219 57.824 58.100 -0.094 0.000 1.282 536 Y CB 0.191 38.566 38.460 -0.142 0.000 1.027 536 Y HN 0.195 nan 8.280 nan 0.000 0.551 537 V N 1.141 120.946 119.914 -0.181 0.000 2.432 537 V HA 0.188 4.309 4.120 0.001 0.000 0.275 537 V C -0.796 175.119 176.094 -0.298 0.000 1.043 537 V CA -0.805 61.370 62.300 -0.207 0.000 0.925 537 V CB 0.168 31.858 31.823 -0.221 0.000 0.985 537 V HN -0.010 nan 8.190 nan 0.000 0.466 538 Y N 3.976 124.241 120.300 -0.058 0.000 2.602 538 Y HA 0.686 5.237 4.550 0.001 0.000 0.342 538 Y C -0.016 175.887 175.900 0.005 0.000 1.029 538 Y CA -1.063 57.019 58.100 -0.028 0.000 1.080 538 Y CB 1.967 40.387 38.460 -0.067 0.000 1.284 538 Y HN 0.398 nan 8.280 nan 0.000 0.485 539 I N 1.978 122.664 120.570 0.194 0.000 2.418 539 I HA 0.591 4.761 4.170 0.001 0.000 0.287 539 I C -0.270 175.932 176.117 0.141 0.000 1.008 539 I CA -0.857 60.532 61.300 0.149 0.000 1.104 539 I CB 1.448 39.521 38.000 0.122 0.000 1.264 539 I HN 0.709 nan 8.210 nan 0.000 0.438 540 A N 5.749 128.652 122.820 0.139 0.000 2.332 540 A HA 0.469 4.789 4.320 0.001 0.000 0.258 540 A C -0.086 177.569 177.584 0.117 0.000 1.087 540 A CA -0.258 51.864 52.037 0.141 0.000 0.802 540 A CB 0.466 19.586 19.000 0.200 0.000 1.042 540 A HN 0.768 nan 8.150 nan 0.000 0.489 541 Q N 1.153 121.012 119.800 0.099 0.000 2.851 541 Q HA 0.243 4.583 4.340 0.001 0.000 0.331 541 Q C -2.475 173.570 176.000 0.075 0.000 0.979 541 Q CA -1.725 54.128 55.803 0.084 0.000 0.955 541 Q CB 0.954 29.735 28.738 0.072 0.000 1.298 541 Q HN 0.575 nan 8.270 nan 0.000 0.432 542 P HA 0.139 nan 4.420 nan 0.000 0.269 542 P C -2.486 174.869 177.300 0.091 0.000 1.209 542 P CA -1.121 62.017 63.100 0.064 0.000 0.776 542 P CB -0.053 31.680 31.700 0.055 0.000 0.876 543 P HA 0.084 nan 4.420 nan 0.000 0.269 543 P C 0.160 177.595 177.300 0.224 0.000 1.215 543 P CA 0.001 63.202 63.100 0.168 0.000 0.780 543 P CB -0.012 31.827 31.700 0.232 0.000 0.898 544 T N -1.321 113.324 114.554 0.152 0.000 2.816 544 T HA 0.585 4.936 4.350 0.001 0.000 0.282 544 T C 0.541 175.279 174.700 0.064 0.000 0.993 544 T CA 0.199 62.371 62.100 0.119 0.000 0.994 544 T CB 0.407 69.317 68.868 0.070 0.000 1.025 544 T HN 0.862 nan 8.240 nan 0.000 0.529 581 K N 1.522 122.020 120.400 0.163 0.000 2.365 581 K HA 0.255 4.576 4.320 0.001 0.000 0.199 581 K C 0.688 177.330 176.600 0.070 0.000 1.045 581 K CA 0.933 57.255 56.287 0.057 0.000 0.962 581 K CB 0.278 32.764 32.500 -0.022 0.000 0.759 581 K HN 0.774 nan 8.250 nan 0.000 0.469 582 G N -0.958 107.907 108.800 0.108 0.000 2.523 582 G HA2 0.189 4.150 3.960 0.001 0.000 0.291 582 G HA3 0.189 4.150 3.960 0.001 0.000 0.291 582 G C -0.049 174.876 174.900 0.042 0.000 1.450 582 G CA -0.886 44.255 45.100 0.068 0.000 0.790 582 G HN -0.050 nan 8.290 nan 0.000 0.496 583 L N 0.654 121.882 121.223 0.008 0.000 2.275 583 L HA 0.062 4.402 4.340 0.001 0.000 0.215 583 L C 2.768 179.605 176.870 -0.054 0.000 1.119 583 L CA 1.392 56.203 54.840 -0.048 0.000 0.790 583 L CB -0.280 41.762 42.059 -0.029 0.000 0.919 583 L HN 0.712 nan 8.230 nan 0.000 0.443 584 G N -0.415 108.376 108.800 -0.014 0.000 2.559 584 G HA2 -0.229 3.732 3.960 0.001 0.000 0.216 584 G HA3 -0.229 3.732 3.960 0.001 0.000 0.216 584 G C 1.426 176.328 174.900 0.004 0.000 1.126 584 G CA 0.304 45.400 45.100 -0.007 0.000 0.778 584 G HN 0.460 nan 8.290 nan 0.000 0.543 585 E N -0.640 119.573 120.200 0.022 0.000 2.385 585 E HA 0.141 4.492 4.350 0.001 0.000 0.194 585 E C 1.011 177.639 176.600 0.045 0.000 1.013 585 E CA -0.220 56.234 56.400 0.090 0.000 0.866 585 E CB -0.009 29.821 29.700 0.217 0.000 0.832 585 E HN 0.361 nan 8.360 nan 0.000 0.500 586 M N 1.288 120.798 119.600 -0.150 0.000 2.342 586 M HA 0.234 4.715 4.480 0.001 0.000 0.332 586 M C -0.135 176.095 176.300 -0.117 0.000 1.166 586 M CA -0.839 54.286 55.300 -0.291 0.000 1.086 586 M CB 1.087 33.365 32.600 -0.536 0.000 1.541 586 M HN -0.160 nan 8.290 nan 0.000 0.462 587 N N 0.804 119.462 118.700 -0.071 0.000 2.525 587 N HA 0.211 4.952 4.740 0.001 0.000 0.271 587 N C 0.656 176.143 175.510 -0.037 0.000 1.194 587 N CA 0.021 53.052 53.050 -0.031 0.000 0.964 587 N CB 1.200 39.686 38.487 -0.000 0.000 1.126 587 N HN 0.817 nan 8.380 nan 0.000 0.452 588 A N 1.666 124.471 122.820 -0.024 0.000 1.917 588 A HA -0.246 4.074 4.320 0.001 0.000 0.219 588 A C 1.606 179.209 177.584 0.032 0.000 1.182 588 A CA 2.090 54.117 52.037 -0.015 0.000 0.633 588 A CB -0.485 18.495 19.000 -0.034 0.000 0.819 588 A HN 0.834 nan 8.150 nan 0.000 0.448 589 D N 0.419 120.841 120.400 0.036 0.000 2.117 589 D HA -0.272 4.369 4.640 0.001 0.000 0.197 589 D C 1.937 178.317 176.300 0.132 0.000 0.987 589 D CA 1.663 55.723 54.000 0.100 0.000 0.829 589 D CB -1.056 39.783 40.800 0.066 0.000 0.961 589 D HN 0.779 nan 8.370 nan 0.000 0.460 590 Q N -0.291 119.542 119.800 0.055 0.000 2.224 590 Q HA -0.061 4.280 4.340 0.001 0.000 0.203 590 Q C 2.258 178.254 176.000 -0.007 0.000 0.970 590 Q CA 0.639 56.456 55.803 0.024 0.000 0.865 590 Q CB -0.381 28.360 28.738 0.005 0.000 0.922 590 Q HN 0.291 nan 8.270 nan 0.000 0.445 591 L N 0.650 121.866 121.223 -0.011 0.000 2.095 591 L HA -0.026 4.315 4.340 0.001 0.000 0.204 591 L C 2.133 179.026 176.870 0.038 0.000 1.080 591 L CA 1.510 56.331 54.840 -0.030 0.000 0.759 591 L CB -0.830 41.197 42.059 -0.054 0.000 0.914 591 L HN 0.510 nan 8.230 nan 0.000 0.439 592 W N 0.718 121.968 121.300 -0.084 0.000 2.333 592 W HA -0.203 4.458 4.660 0.001 0.000 0.316 592 W C 1.962 178.472 176.519 -0.015 0.000 1.215 592 W CA 1.751 59.055 57.345 -0.068 0.000 1.278 592 W CB -0.078 29.348 29.460 -0.058 0.000 1.154 592 W HN 0.200 nan 8.180 nan 0.000 0.486 593 E N 0.025 120.173 120.200 -0.087 0.000 2.051 593 E HA -0.203 4.148 4.350 0.001 0.000 0.192 593 E C 2.201 178.710 176.600 -0.153 0.000 0.991 593 E CA 2.777 59.069 56.400 -0.180 0.000 0.799 593 E CB -0.963 28.729 29.700 -0.014 0.000 0.748 593 E HN 0.455 nan 8.360 nan 0.000 0.449 594 T N -2.409 112.094 114.554 -0.086 0.000 2.942 594 T HA 0.014 4.365 4.350 0.001 0.000 0.265 594 T C 1.731 176.400 174.700 -0.051 0.000 1.062 594 T CA 1.484 63.552 62.100 -0.053 0.000 1.139 594 T CB -0.012 68.846 68.868 -0.016 0.000 0.883 594 T HN 0.004 nan 8.240 nan 0.000 0.468 595 T N 0.034 114.543 114.554 -0.075 0.000 2.980 595 T HA 0.420 4.771 4.350 0.001 0.000 0.252 595 T C 1.622 176.296 174.700 -0.043 0.000 0.962 595 T CA -0.174 61.908 62.100 -0.031 0.000 0.932 595 T CB 0.152 69.021 68.868 0.002 0.000 1.188 595 T HN 0.222 nan 8.240 nan 0.000 0.500 596 M N 0.713 120.216 119.600 -0.161 0.000 2.491 596 M HA 0.311 4.792 4.480 0.001 0.000 0.259 596 M C 0.455 176.477 176.300 -0.463 0.000 1.163 596 M CA -0.070 55.119 55.300 -0.186 0.000 1.109 596 M CB 0.170 32.668 32.600 -0.169 0.000 1.353 596 M HN -0.018 nan 8.290 nan 0.000 0.500 597 N N 2.707 120.821 118.700 -0.977 0.000 2.427 597 N HA 0.061 4.802 4.740 0.001 0.000 0.269 597 N C -2.055 173.124 175.510 -0.552 0.000 1.235 597 N CA -1.474 50.762 53.050 -1.356 0.000 0.934 597 N CB 1.029 38.616 38.487 -1.501 0.000 1.121 597 N HN -0.121 nan 8.380 nan 0.000 0.480 598 P HA -0.150 nan 4.420 nan 0.000 0.218 598 P C 0.484 177.658 177.300 -0.210 0.000 1.146 598 P CA 1.360 64.350 63.100 -0.184 0.000 0.813 598 P CB 0.325 31.969 31.700 -0.093 0.000 0.778 599 E N -1.917 118.098 120.200 -0.309 0.000 2.107 599 E HA -0.165 4.185 4.350 0.001 0.000 0.191 599 E C 1.188 177.470 176.600 -0.530 0.000 0.982 599 E CA 1.046 57.186 56.400 -0.433 0.000 0.809 599 E CB -0.297 29.049 29.700 -0.590 0.000 0.756 599 E HN 0.545 nan 8.360 nan 0.000 0.459 600 H N -1.141 117.836 119.070 -0.155 0.000 3.241 600 H HA 0.141 4.698 4.556 0.002 0.000 0.260 600 H C 0.221 175.484 175.328 -0.108 0.000 1.084 600 H CA -0.462 55.516 56.048 -0.117 0.000 1.203 600 H CB 0.478 30.167 29.762 -0.122 0.000 1.524 600 H HN -0.045 nan 8.280 nan 0.000 0.521 601 R N 1.456 121.923 120.500 -0.054 0.000 2.738 601 R HA 0.516 4.857 4.340 0.001 0.000 0.268 601 R C -0.474 175.821 176.300 -0.010 0.000 1.062 601 R CA 0.049 56.124 56.100 -0.042 0.000 1.158 601 R CB 0.584 30.838 30.300 -0.076 0.000 1.046 601 R HN 0.068 nan 8.270 nan 0.000 0.493 602 A N 4.491 127.320 122.820 0.015 0.000 2.842 602 A HA 0.315 4.636 4.320 0.001 0.000 0.339 602 A C -0.232 177.384 177.584 0.052 0.000 1.177 602 A CA -0.851 51.205 52.037 0.032 0.000 0.797 602 A CB 0.313 19.335 19.000 0.037 0.000 1.094 602 A HN 0.629 nan 8.150 nan 0.000 0.474 603 L N 1.424 122.680 121.223 0.055 0.000 2.417 603 L HA 0.358 4.699 4.340 0.001 0.000 0.268 603 L C -0.304 176.657 176.870 0.151 0.000 1.158 603 L CA -0.190 54.710 54.840 0.099 0.000 0.819 603 L CB 1.069 43.161 42.059 0.055 0.000 1.112 603 L HN 0.488 nan 8.230 nan 0.000 0.458 604 L N 3.381 124.707 121.223 0.171 0.000 2.280 604 L HA 0.351 4.691 4.340 0.001 0.000 0.287 604 L C -0.008 176.941 176.870 0.132 0.000 1.023 604 L CA -0.297 54.623 54.840 0.133 0.000 0.819 604 L CB 1.377 43.490 42.059 0.090 0.000 1.212 604 L HN 0.613 nan 8.230 nan 0.000 0.420 605 Q N 2.582 122.422 119.800 0.067 0.000 2.293 605 Q HA 0.263 4.604 4.340 0.001 0.000 0.263 605 Q C -0.797 175.104 176.000 -0.165 0.000 1.002 605 Q CA -0.553 55.119 55.803 -0.218 0.000 0.910 605 Q CB 1.429 30.043 28.738 -0.208 0.000 1.185 605 Q HN 0.446 nan 8.270 nan 0.000 0.401 606 V N 3.534 123.322 119.914 -0.210 0.000 2.470 606 V HA 0.345 4.466 4.120 0.001 0.000 0.276 606 V C 0.448 176.486 176.094 -0.093 0.000 1.040 606 V CA 0.298 62.541 62.300 -0.094 0.000 1.008 606 V CB 0.320 32.116 31.823 -0.045 0.000 0.990 606 V HN 0.770 nan 8.190 nan 0.000 0.477 607 K N 4.581 124.955 120.400 -0.044 0.000 2.259 607 K HA 0.796 5.117 4.320 0.001 0.000 0.252 607 K C -1.077 175.521 176.600 -0.003 0.000 0.936 607 K CA -0.802 55.466 56.287 -0.032 0.000 0.810 607 K CB 1.802 34.287 32.500 -0.026 0.000 1.143 607 K HN 0.582 nan 8.250 nan 0.000 0.427 608 L N 2.301 123.527 121.223 0.006 0.000 2.262 608 L HA 0.403 4.744 4.340 0.001 0.000 0.288 608 L C 0.725 177.606 176.870 0.019 0.000 1.035 608 L CA -0.119 54.742 54.840 0.036 0.000 0.820 608 L CB 1.261 43.364 42.059 0.073 0.000 1.204 608 L HN 0.877 nan 8.230 nan 0.000 0.424 609 E N 1.952 122.161 120.200 0.015 0.000 2.057 609 E HA 0.066 4.417 4.350 0.001 0.000 0.191 609 E C -0.345 176.263 176.600 0.012 0.000 0.959 609 E CA 0.530 56.934 56.400 0.007 0.000 0.828 609 E CB 0.303 30.003 29.700 0.000 0.000 0.800 609 E HN 0.620 nan 8.360 nan 0.000 0.460 610 D N -0.286 120.123 120.400 0.014 0.000 2.453 610 D HA 0.343 4.984 4.640 0.001 0.000 0.238 610 D C 0.344 176.668 176.300 0.040 0.000 1.088 610 D CA -0.224 53.786 54.000 0.017 0.000 0.854 610 D CB 1.519 42.321 40.800 0.005 0.000 1.076 610 D HN -0.016 nan 8.370 nan 0.000 0.533 611 A N 4.769 127.624 122.820 0.059 0.000 1.972 611 A HA -0.119 4.201 4.320 0.001 0.000 0.219 611 A C 1.981 179.627 177.584 0.105 0.000 1.169 611 A CA 0.812 52.919 52.037 0.115 0.000 0.635 611 A CB -0.301 18.745 19.000 0.076 0.000 0.810 611 A HN 0.674 nan 8.150 nan 0.000 0.446 612 I N -0.159 120.442 120.570 0.051 0.000 2.252 612 I HA -0.173 3.998 4.170 0.001 0.000 0.245 612 I C 2.370 178.501 176.117 0.024 0.000 1.102 612 I CA 1.642 62.963 61.300 0.035 0.000 1.385 612 I CB -1.415 36.594 38.000 0.015 0.000 1.064 612 I HN 0.554 nan 8.210 nan 0.000 0.414 613 E N 1.128 121.333 120.200 0.009 0.000 2.106 613 E HA -0.159 4.191 4.350 0.001 0.000 0.192 613 E C 2.311 178.884 176.600 -0.045 0.000 0.984 613 E CA 1.185 57.574 56.400 -0.019 0.000 0.806 613 E CB 0.160 29.845 29.700 -0.025 0.000 0.750 613 E HN 0.407 nan 8.360 nan 0.000 0.458 614 A N 1.416 124.218 122.820 -0.029 0.000 1.877 614 A HA -0.207 4.114 4.320 0.001 0.000 0.216 614 A C 1.807 179.398 177.584 0.013 0.000 1.186 614 A CA 1.792 53.775 52.037 -0.090 0.000 0.620 614 A CB -0.530 18.392 19.000 -0.129 0.000 0.822 614 A HN 0.248 nan 8.150 nan 0.000 0.443 615 D N -0.191 120.276 120.400 0.112 0.000 2.104 615 D HA -0.181 4.459 4.640 0.001 0.000 0.194 615 D C 2.209 178.559 176.300 0.082 0.000 0.994 615 D CA 1.690 55.793 54.000 0.171 0.000 0.830 615 D CB -0.478 40.405 40.800 0.138 0.000 0.959 615 D HN 0.647 nan 8.370 nan 0.000 0.452 616 Q N -0.157 119.651 119.800 0.014 0.000 2.124 616 Q HA -0.089 4.252 4.340 0.001 0.000 0.202 616 Q C 2.188 178.130 176.000 -0.096 0.000 0.977 616 Q CA 1.391 57.175 55.803 -0.030 0.000 0.850 616 Q CB -0.183 28.534 28.738 -0.036 0.000 0.901 616 Q HN 0.246 nan 8.270 nan 0.000 0.429 617 T N 0.795 115.252 114.554 -0.162 0.000 2.674 617 T HA -0.134 4.216 4.350 0.001 0.000 0.265 617 T C 1.457 175.914 174.700 -0.405 0.000 1.039 617 T CA 1.268 63.165 62.100 -0.339 0.000 1.150 617 T CB -0.387 68.213 68.868 -0.446 0.000 0.864 617 T HN 0.183 nan 8.240 nan 0.000 0.427 618 F N 1.308 121.109 119.950 -0.249 0.000 2.171 618 F HA -0.033 4.495 4.527 0.001 0.000 0.300 618 F C 2.589 178.286 175.800 -0.172 0.000 1.090 618 F CA 1.175 59.046 58.000 -0.215 0.000 1.293 618 F CB -0.259 38.640 39.000 -0.168 0.000 1.013 618 F HN 0.222 nan 8.300 nan 0.000 0.486 619 E N 0.385 120.605 120.200 0.033 0.000 2.047 619 E HA -0.257 4.093 4.350 0.001 0.000 0.191 619 E C 2.297 178.848 176.600 -0.082 0.000 0.987 619 E CA 1.240 57.636 56.400 -0.008 0.000 0.799 619 E CB -0.165 29.536 29.700 0.001 0.000 0.752 619 E HN 0.430 nan 8.360 nan 0.000 0.449 620 M N 0.417 119.930 119.600 -0.145 0.000 2.067 620 M HA -0.171 4.310 4.480 0.001 0.000 0.260 620 M C 2.078 178.200 176.300 -0.297 0.000 1.069 620 M CA 1.512 56.697 55.300 -0.191 0.000 1.117 620 M CB -0.019 32.445 32.600 -0.227 0.000 1.334 620 M HN 0.176 nan 8.290 nan 0.000 0.407 621 L N -0.291 120.645 121.223 -0.479 0.000 2.072 621 L HA -0.147 4.193 4.340 0.001 0.000 0.205 621 L C 2.126 178.572 176.870 -0.706 0.000 1.079 621 L CA 0.755 55.118 54.840 -0.794 0.000 0.752 621 L CB -0.442 41.006 42.059 -1.018 0.000 0.906 621 L HN 0.425 nan 8.230 nan 0.000 0.436 622 M N -0.662 118.723 119.600 -0.358 0.000 2.337 622 M HA 0.258 4.739 4.480 0.001 0.000 0.256 622 M C 1.057 177.340 176.300 -0.029 0.000 1.075 622 M CA 0.039 55.254 55.300 -0.140 0.000 1.024 622 M CB -0.728 31.872 32.600 0.000 0.000 1.429 622 M HN 0.031 nan 8.290 nan 0.000 0.497 623 G N 1.527 110.299 108.800 -0.046 0.000 2.651 623 G HA2 0.214 4.175 3.960 0.001 0.000 0.260 623 G HA3 0.214 4.175 3.960 0.001 0.000 0.260 623 G C 0.424 175.332 174.900 0.014 0.000 1.216 623 G CA -0.190 44.909 45.100 -0.003 0.000 0.913 623 G HN 0.405 nan 8.290 nan 0.000 0.535 624 D N -1.475 118.940 120.400 0.025 0.000 2.317 624 D HA -0.114 4.527 4.640 0.001 0.000 0.211 624 D C 1.059 177.377 176.300 0.029 0.000 0.966 624 D CA 0.059 54.079 54.000 0.033 0.000 0.876 624 D CB -0.298 40.521 40.800 0.033 0.000 0.927 624 D HN 0.085 nan 8.370 nan 0.000 0.519 625 V N 1.935 121.860 119.914 0.020 0.000 2.397 625 V HA -0.002 4.118 4.120 0.001 0.000 0.262 625 V C 1.653 177.763 176.094 0.028 0.000 1.047 625 V CA -0.293 62.020 62.300 0.021 0.000 1.003 625 V CB 1.097 32.928 31.823 0.014 0.000 1.037 625 V HN -0.015 nan 8.190 nan 0.000 0.480 626 V N 3.769 123.707 119.914 0.039 0.000 2.307 626 V HA -0.164 3.957 4.120 0.001 0.000 0.245 626 V C 2.415 178.544 176.094 0.058 0.000 1.045 626 V CA 1.956 64.288 62.300 0.055 0.000 1.024 626 V CB -0.426 31.431 31.823 0.057 0.000 0.651 626 V HN 0.966 nan 8.190 nan 0.000 0.449 627 E N 1.349 121.577 120.200 0.048 0.000 2.097 627 E HA -0.251 4.100 4.350 0.001 0.000 0.196 627 E C 1.955 178.590 176.600 0.059 0.000 1.000 627 E CA 1.988 58.418 56.400 0.050 0.000 0.804 627 E CB -0.403 29.320 29.700 0.039 0.000 0.740 627 E HN 0.603 nan 8.360 nan 0.000 0.454 628 N N 0.121 118.849 118.700 0.048 0.000 2.166 628 N HA -0.175 4.566 4.740 0.001 0.000 0.186 628 N C 1.870 177.431 175.510 0.086 0.000 1.019 628 N CA 1.365 54.447 53.050 0.052 0.000 0.856 628 N CB -0.427 38.072 38.487 0.020 0.000 0.993 628 N HN 0.247 nan 8.380 nan 0.000 0.426 629 R N 1.338 121.883 120.500 0.075 0.000 2.096 629 R HA 0.007 4.348 4.340 0.001 0.000 0.235 629 R C 2.257 178.689 176.300 0.220 0.000 1.127 629 R CA 0.952 57.127 56.100 0.126 0.000 0.968 629 R CB -0.003 30.355 30.300 0.096 0.000 0.861 629 R HN 0.115 nan 8.270 nan 0.000 0.440 630 R N 0.004 120.594 120.500 0.151 0.000 2.075 630 R HA -0.163 4.177 4.340 0.001 0.000 0.232 630 R C 2.176 178.547 176.300 0.117 0.000 1.126 630 R CA 1.804 57.981 56.100 0.129 0.000 0.963 630 R CB -0.101 30.253 30.300 0.089 0.000 0.858 630 R HN 0.200 nan 8.270 nan 0.000 0.435 631 Q N 0.040 119.909 119.800 0.114 0.000 2.084 631 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 631 Q C 1.717 177.783 176.000 0.110 0.000 0.978 631 Q CA 1.831 57.690 55.803 0.093 0.000 0.844 631 Q CB -0.498 28.289 28.738 0.082 0.000 0.898 631 Q HN 0.400 nan 8.270 nan 0.000 0.426 632 F N -0.047 119.917 119.950 0.023 0.000 2.126 632 F HA -0.160 4.368 4.527 0.001 0.000 0.299 632 F C 1.622 177.441 175.800 0.031 0.000 1.096 632 F CA 1.475 59.487 58.000 0.020 0.000 1.255 632 F CB -0.212 38.796 39.000 0.012 0.000 0.997 632 F HN 0.125 nan 8.300 nan 0.000 0.479 633 I N 0.390 120.976 120.570 0.026 0.000 2.142 633 I HA -0.288 3.883 4.170 0.001 0.000 0.240 633 I C 2.561 178.606 176.117 -0.120 0.000 1.078 633 I CA 1.917 63.169 61.300 -0.080 0.000 1.343 633 I CB -0.732 37.320 38.000 0.087 0.000 1.046 633 I HN 0.254 nan 8.210 nan 0.000 0.405 634 E N 1.070 121.252 120.200 -0.030 0.000 2.085 634 E HA -0.280 4.070 4.350 0.001 0.000 0.194 634 E C 1.575 178.147 176.600 -0.047 0.000 0.994 634 E CA 1.804 58.201 56.400 -0.004 0.000 0.801 634 E CB 0.046 29.760 29.700 0.024 0.000 0.743 634 E HN 0.425 nan 8.360 nan 0.000 0.453 635 D N -0.005 120.341 120.400 -0.090 0.000 2.224 635 D HA -0.081 4.560 4.640 0.001 0.000 0.205 635 D C 1.184 177.385 176.300 -0.165 0.000 0.965 635 D CA 0.738 54.678 54.000 -0.100 0.000 0.852 635 D CB -0.130 40.624 40.800 -0.076 0.000 0.947 635 D HN 0.221 nan 8.370 nan 0.000 0.494 636 N N 0.019 118.539 118.700 -0.301 0.000 2.205 636 N HA 0.136 4.877 4.740 0.001 0.000 0.201 636 N C 0.173 175.515 175.510 -0.279 0.000 1.128 636 N CA -0.072 52.778 53.050 -0.334 0.000 0.867 636 N CB 1.076 39.201 38.487 -0.603 0.000 0.996 636 N HN -0.028 nan 8.380 nan 0.000 0.503 637 A N 1.309 123.976 122.820 -0.255 0.000 2.520 637 A HA 0.327 4.648 4.320 0.001 0.000 0.245 637 A C 0.138 177.517 177.584 -0.342 0.000 1.072 637 A CA 0.299 52.133 52.037 -0.339 0.000 0.761 637 A CB 0.343 19.160 19.000 -0.305 0.000 1.004 637 A HN -0.026 nan 8.150 nan 0.000 0.499 638 V N 4.095 123.735 119.914 -0.456 0.000 2.482 638 V HA 0.383 4.504 4.120 0.001 0.000 0.295 638 V C -0.897 174.969 176.094 -0.380 0.000 1.026 638 V CA -0.339 61.790 62.300 -0.285 0.000 0.856 638 V CB 0.856 32.590 31.823 -0.148 0.000 1.001 638 V HN 0.857 nan 8.190 nan 0.000 0.424 1011 E N -0.296 119.928 120.200 0.040 0.000 2.288 1011 E HA 0.742 5.093 4.350 0.001 0.000 0.268 1011 E C -1.604 175.008 176.600 0.020 0.000 0.885 1011 E CA -0.644 55.770 56.400 0.024 0.000 0.767 1011 E CB 1.927 31.637 29.700 0.017 0.000 1.220 1011 E HN 0.695 nan 8.360 nan 0.000 0.427 1012 R N 2.786 123.291 120.500 0.008 0.000 2.512 1012 R HA 0.227 4.568 4.340 0.001 0.000 0.291 1012 R C -1.469 174.833 176.300 0.003 0.000 1.097 1012 R CA -0.547 55.560 56.100 0.013 0.000 0.940 1012 R CB 0.888 31.204 30.300 0.026 0.000 1.198 1012 R HN 0.595 nan 8.270 nan 0.000 0.429 1013 N N 5.029 123.730 118.700 0.002 0.000 2.468 1013 N HA -0.025 4.716 4.740 0.001 0.000 0.265 1013 N C 0.925 176.428 175.510 -0.012 0.000 1.199 1013 N CA 0.155 53.202 53.050 -0.006 0.000 0.928 1013 N CB 0.696 39.178 38.487 -0.010 0.000 1.059 1013 N HN 0.791 nan 8.380 nan 0.000 0.467 1014 I N 3.424 123.989 120.570 -0.009 0.000 2.264 1014 I HA -0.279 3.892 4.170 0.001 0.000 0.248 1014 I C 1.718 177.769 176.117 -0.109 0.000 1.111 1014 I CA 1.279 62.573 61.300 -0.010 0.000 1.382 1014 I CB 0.070 38.105 38.000 0.059 0.000 1.060 1014 I HN 0.608 nan 8.210 nan 0.000 0.418 1015 T N -0.096 114.382 114.554 -0.128 0.000 2.777 1015 T HA -0.126 4.225 4.350 0.001 0.000 0.266 1015 T C 1.996 176.614 174.700 -0.137 0.000 1.040 1015 T CA 1.721 63.703 62.100 -0.196 0.000 1.141 1015 T CB -0.111 68.670 68.868 -0.145 0.000 0.868 1015 T HN 0.361 nan 8.240 nan 0.000 0.444 1016 S N 1.056 116.717 115.700 -0.065 0.000 2.368 1016 S HA -0.117 4.354 4.470 0.001 0.000 0.225 1016 S C 2.093 176.686 174.600 -0.011 0.000 1.030 1016 S CA 1.263 59.450 58.200 -0.022 0.000 0.999 1016 S CB -0.287 62.912 63.200 -0.003 0.000 0.844 1016 S HN 0.514 nan 8.310 nan 0.000 0.459 1017 E N 1.660 121.849 120.200 -0.018 0.000 2.051 1017 E HA -0.119 4.231 4.350 0.001 0.000 0.192 1017 E C 1.980 178.579 176.600 -0.002 0.000 0.991 1017 E CA 1.274 57.679 56.400 0.008 0.000 0.799 1017 E CB -0.300 29.413 29.700 0.022 0.000 0.748 1017 E HN 0.228 nan 8.360 nan 0.000 0.449 1018 M N 0.274 119.819 119.600 -0.092 0.000 2.065 1018 M HA -0.118 4.362 4.480 0.001 0.000 0.259 1018 M C 2.367 178.629 176.300 -0.063 0.000 1.069 1018 M CA 1.738 56.945 55.300 -0.154 0.000 1.110 1018 M CB -0.986 31.320 32.600 -0.490 0.000 1.328 1018 M HN 0.132 nan 8.290 nan 0.000 0.405 1019 R N -0.099 120.355 120.500 -0.077 0.000 2.081 1019 R HA -0.147 4.194 4.340 0.001 0.000 0.235 1019 R C 2.162 178.607 176.300 0.243 0.000 1.131 1019 R CA 1.479 57.624 56.100 0.075 0.000 0.960 1019 R CB -0.276 30.096 30.300 0.119 0.000 0.856 1019 R HN 0.541 nan 8.270 nan 0.000 0.436 1020 E N -0.035 120.251 120.200 0.143 0.000 2.047 1020 E HA -0.106 4.245 4.350 0.001 0.000 0.191 1020 E C 2.148 178.832 176.600 0.139 0.000 0.987 1020 E CA 1.328 57.805 56.400 0.128 0.000 0.799 1020 E CB 0.023 29.770 29.700 0.078 0.000 0.752 1020 E HN 0.175 nan 8.360 nan 0.000 0.449 1021 S N 0.629 116.410 115.700 0.136 0.000 2.356 1021 S HA -0.138 4.333 4.470 0.001 0.000 0.223 1021 S C 1.668 176.388 174.600 0.201 0.000 1.032 1021 S CA 0.853 59.141 58.200 0.147 0.000 1.005 1021 S CB -0.307 62.973 63.200 0.133 0.000 0.867 1021 S HN 0.228 nan 8.310 nan 0.000 0.449 1022 F N 1.758 121.774 119.950 0.111 0.000 2.186 1022 F HA -0.040 4.488 4.527 0.001 0.000 0.299 1022 F C 1.921 177.845 175.800 0.207 0.000 1.090 1022 F CA 0.755 58.848 58.000 0.155 0.000 1.307 1022 F CB -0.272 38.767 39.000 0.065 0.000 1.019 1022 F HN 0.124 nan 8.300 nan 0.000 0.489 1023 L N 0.423 121.872 121.223 0.376 0.000 2.046 1023 L HA -0.210 4.131 4.340 0.001 0.000 0.208 1023 L C 1.921 178.824 176.870 0.055 0.000 1.077 1023 L CA 1.944 56.937 54.840 0.256 0.000 0.747 1023 L CB -1.071 41.121 42.059 0.222 0.000 0.896 1023 L HN 0.011 nan 8.230 nan 0.000 0.432 1024 D N -1.566 118.873 120.400 0.065 0.000 2.104 1024 D HA -0.264 4.377 4.640 0.001 0.000 0.194 1024 D C 1.990 178.289 176.300 -0.003 0.000 0.994 1024 D CA 1.668 55.683 54.000 0.026 0.000 0.830 1024 D CB -0.285 40.552 40.800 0.061 0.000 0.959 1024 D HN 0.476 nan 8.370 nan 0.000 0.452 1025 Y N 1.491 121.703 120.300 -0.147 0.000 2.133 1025 Y HA -0.138 4.412 4.550 0.001 0.000 0.287 1025 Y C 2.262 177.982 175.900 -0.301 0.000 1.134 1025 Y CA 1.758 59.711 58.100 -0.246 0.000 1.133 1025 Y CB -0.622 37.613 38.460 -0.376 0.000 0.987 1025 Y HN -0.053 nan 8.280 nan 0.000 0.502 1026 A N 0.602 123.170 122.820 -0.420 0.000 1.892 1026 A HA -0.251 4.070 4.320 0.001 0.000 0.218 1026 A C 2.232 179.650 177.584 -0.277 0.000 1.188 1026 A CA 2.351 54.156 52.037 -0.387 0.000 0.631 1026 A CB -0.784 18.129 19.000 -0.144 0.000 0.822 1026 A HN 0.529 nan 8.150 nan 0.000 0.447 1027 M N -0.579 118.906 119.600 -0.192 0.000 2.117 1027 M HA -0.095 4.386 4.480 0.001 0.000 0.262 1027 M C 2.488 178.695 176.300 -0.155 0.000 1.065 1027 M CA 1.888 57.092 55.300 -0.160 0.000 1.114 1027 M CB -1.549 30.947 32.600 -0.174 0.000 1.361 1027 M HN 0.538 nan 8.290 nan 0.000 0.408 1028 S N 0.207 115.792 115.700 -0.191 0.000 2.383 1028 S HA -0.075 4.396 4.470 0.001 0.000 0.227 1028 S C 1.976 176.449 174.600 -0.212 0.000 1.026 1028 S CA 1.068 59.171 58.200 -0.161 0.000 0.981 1028 S CB -0.091 63.032 63.200 -0.129 0.000 0.818 1028 S HN 0.258 nan 8.310 nan 0.000 0.472 1029 V N 1.710 121.398 119.914 -0.376 0.000 2.427 1029 V HA -0.100 4.021 4.120 0.001 0.000 0.248 1029 V C 2.193 178.172 176.094 -0.191 0.000 1.051 1029 V CA 1.659 63.745 62.300 -0.357 0.000 1.048 1029 V CB -0.555 30.919 31.823 -0.580 0.000 0.666 1029 V HN 0.490 nan 8.190 nan 0.000 0.456 1030 I N 0.491 120.967 120.570 -0.157 0.000 2.193 1030 I HA -0.147 4.024 4.170 0.001 0.000 0.240 1030 I C 2.219 178.322 176.117 -0.023 0.000 1.084 1030 I CA 1.853 63.113 61.300 -0.066 0.000 1.365 1030 I CB -0.232 37.751 38.000 -0.028 0.000 1.064 1030 I HN 0.357 nan 8.210 nan 0.000 0.410 1031 V N -2.310 117.598 119.914 -0.010 0.000 3.590 1031 V HA 0.404 4.524 4.120 0.001 0.000 0.265 1031 V C 1.071 177.168 176.094 0.006 0.000 1.239 1031 V CA 0.662 62.975 62.300 0.022 0.000 1.117 1031 V CB 0.117 31.990 31.823 0.084 0.000 0.818 1031 V HN 0.269 nan 8.190 nan 0.000 0.451 1032 A N -0.075 122.736 122.820 -0.015 0.000 2.843 1032 A HA 0.748 5.069 4.320 0.001 0.000 0.248 1032 A C 0.885 178.466 177.584 -0.005 0.000 0.904 1032 A CA 0.240 52.281 52.037 0.006 0.000 1.091 1032 A CB 0.276 19.288 19.000 0.020 0.000 1.208 1032 A HN 0.487 nan 8.150 nan 0.000 0.476 1033 R N -1.969 118.521 120.500 -0.017 0.000 5.145 1033 R HA 0.249 4.590 4.340 0.001 0.000 0.050 1033 R C 1.307 177.607 176.300 0.001 0.000 0.753 1033 R CA 0.941 57.026 56.100 -0.025 0.000 1.635 1033 R CB -0.663 29.574 30.300 -0.105 0.000 1.308 1033 R HN 0.416 nan 8.270 nan 0.000 0.414 1034 A N 1.566 124.373 122.820 -0.022 0.000 2.195 1034 A HA 0.407 4.728 4.320 0.001 0.000 0.210 1034 A C 0.401 177.998 177.584 0.022 0.000 1.165 1034 A CA 0.046 52.085 52.037 0.004 0.000 0.806 1034 A CB 0.132 19.119 19.000 -0.022 0.000 0.847 1034 A HN 0.155 nan 8.150 nan 0.000 0.482 1035 L N 1.298 122.529 121.223 0.013 0.000 2.329 1035 L HA 0.416 4.757 4.340 0.001 0.000 0.279 1035 L C -2.496 174.385 176.870 0.017 0.000 1.014 1035 L CA -2.375 52.474 54.840 0.015 0.000 0.814 1035 L CB 2.109 44.168 42.059 0.000 0.000 1.257 1035 L HN 0.015 nan 8.230 nan 0.000 0.424 1036 P HA 0.079 nan 4.420 nan 0.000 0.281 1036 P C -1.246 176.036 177.300 -0.029 0.000 1.249 1036 P CA -0.411 62.691 63.100 0.003 0.000 0.810 1036 P CB 1.288 32.988 31.700 0.001 0.000 1.008 1037 D N 1.085 121.456 120.400 -0.048 0.000 2.304 1037 D HA -0.008 4.633 4.640 0.001 0.000 0.250 1037 D C 1.157 177.397 176.300 -0.099 0.000 1.107 1037 D CA -0.344 53.602 54.000 -0.089 0.000 0.885 1037 D CB 1.878 42.610 40.800 -0.113 0.000 1.192 1037 D HN -0.018 nan 8.370 nan 0.000 0.436 1038 V N 5.359 125.202 119.914 -0.118 0.000 2.490 1038 V HA -0.219 3.902 4.120 0.001 0.000 0.250 1038 V C 2.252 178.304 176.094 -0.069 0.000 1.061 1038 V CA 1.717 63.963 62.300 -0.089 0.000 1.064 1038 V CB -0.214 31.538 31.823 -0.118 0.000 0.670 1038 V HN 0.524 nan 8.190 nan 0.000 0.461 1039 R N 0.821 121.223 120.500 -0.163 0.000 2.057 1039 R HA -0.071 4.270 4.340 0.001 0.000 0.229 1039 R C 1.811 178.031 176.300 -0.134 0.000 1.136 1039 R CA 1.793 57.737 56.100 -0.260 0.000 0.952 1039 R CB -0.360 29.490 30.300 -0.749 0.000 0.848 1039 R HN 0.757 nan 8.270 nan 0.000 0.430 1040 D N -1.901 118.400 120.400 -0.164 0.000 2.441 1040 D HA 0.102 4.742 4.640 0.001 0.000 0.210 1040 D C 0.967 177.199 176.300 -0.114 0.000 1.102 1040 D CA 0.549 54.484 54.000 -0.109 0.000 0.840 1040 D CB 0.507 41.244 40.800 -0.105 0.000 0.990 1040 D HN 0.259 nan 8.370 nan 0.000 0.505 1041 G N 0.490 109.235 108.800 -0.092 0.000 2.153 1041 G HA2 -0.251 3.710 3.960 0.001 0.000 0.252 1041 G HA3 -0.251 3.710 3.960 0.001 0.000 0.252 1041 G C -0.136 174.737 174.900 -0.044 0.000 0.994 1041 G CA 0.608 45.666 45.100 -0.070 0.000 0.698 1041 G HN 0.413 nan 8.290 nan 0.000 0.521 1042 L N -0.869 120.333 121.223 -0.033 0.000 2.330 1042 L HA 0.635 4.975 4.340 0.001 0.000 0.271 1042 L C 0.634 177.537 176.870 0.054 0.000 1.013 1042 L CA -1.183 53.666 54.840 0.015 0.000 0.816 1042 L CB 1.632 43.709 42.059 0.030 0.000 1.287 1042 L HN -0.014 nan 8.230 nan 0.000 0.435 1043 K N 1.511 122.006 120.400 0.159 0.000 2.090 1043 K HA 0.316 4.636 4.320 0.001 0.000 0.249 1043 K C -1.778 174.903 176.600 0.135 0.000 0.995 1043 K CA -1.581 54.805 56.287 0.165 0.000 0.914 1043 K CB 1.067 33.722 32.500 0.257 0.000 1.057 1043 K HN 0.184 nan 8.250 nan 0.000 0.462 1044 P HA -0.232 nan 4.420 nan 0.000 0.215 1044 P C 1.419 178.733 177.300 0.023 0.000 1.157 1044 P CA 0.822 63.974 63.100 0.087 0.000 0.874 1044 P CB 0.169 31.959 31.700 0.150 0.000 0.790 1045 V N -0.706 119.150 119.914 -0.097 0.000 2.332 1045 V HA -0.303 3.818 4.120 0.001 0.000 0.248 1045 V C 2.037 177.928 176.094 -0.338 0.000 1.055 1045 V CA 2.228 64.237 62.300 -0.484 0.000 1.038 1045 V CB -1.079 30.375 31.823 -0.615 0.000 0.651 1045 V HN 0.181 nan 8.190 nan 0.000 0.450 1046 H N -0.406 118.632 119.070 -0.054 0.000 2.389 1046 H HA -0.053 4.504 4.556 0.001 0.000 0.299 1046 H C 2.440 177.761 175.328 -0.011 0.000 1.081 1046 H CA 1.814 57.852 56.048 -0.017 0.000 1.345 1046 H CB -0.156 29.623 29.762 0.030 0.000 1.393 1046 H HN 0.327 nan 8.280 nan 0.000 0.520 1047 R N 1.124 121.682 120.500 0.096 0.000 2.092 1047 R HA -0.059 4.282 4.340 0.001 0.000 0.231 1047 R C 1.906 178.220 176.300 0.023 0.000 1.119 1047 R CA 1.134 57.258 56.100 0.040 0.000 0.970 1047 R CB 0.109 30.408 30.300 -0.003 0.000 0.864 1047 R HN 0.282 nan 8.270 nan 0.000 0.440 1048 R N -0.077 120.427 120.500 0.006 0.000 2.115 1048 R HA -0.020 4.320 4.340 0.001 0.000 0.226 1048 R C 2.289 178.631 176.300 0.070 0.000 1.100 1048 R CA 1.255 57.366 56.100 0.018 0.000 0.980 1048 R CB -0.205 30.155 30.300 0.100 0.000 0.875 1048 R HN 0.278 nan 8.270 nan 0.000 0.445 1049 I N 0.942 121.536 120.570 0.039 0.000 2.163 1049 I HA -0.288 3.883 4.170 0.001 0.000 0.240 1049 I C 2.166 178.327 176.117 0.074 0.000 1.081 1049 I CA 1.399 62.735 61.300 0.061 0.000 1.353 1049 I CB -0.250 37.766 38.000 0.026 0.000 1.054 1049 I HN 0.120 nan 8.210 nan 0.000 0.407 1050 L N -0.694 120.573 121.223 0.073 0.000 2.093 1050 L HA -0.242 4.099 4.340 0.001 0.000 0.208 1050 L C 2.689 179.610 176.870 0.086 0.000 1.085 1050 L CA 1.327 56.209 54.840 0.072 0.000 0.755 1050 L CB -0.810 41.291 42.059 0.070 0.000 0.904 1050 L HN 0.259 nan 8.230 nan 0.000 0.435 1051 Y N 1.146 121.420 120.300 -0.044 0.000 2.242 1051 Y HA -0.121 4.430 4.550 0.001 0.000 0.291 1051 Y C 2.318 178.202 175.900 -0.027 0.000 1.137 1051 Y CA 1.254 59.310 58.100 -0.074 0.000 1.181 1051 Y CB -0.592 37.751 38.460 -0.196 0.000 0.989 1051 Y HN 0.045 nan 8.280 nan 0.000 0.527 1052 G N 0.407 109.183 108.800 -0.039 0.000 2.418 1052 G HA2 -0.236 3.725 3.960 0.001 0.000 0.217 1052 G HA3 -0.236 3.725 3.960 0.001 0.000 0.217 1052 G C 1.688 176.578 174.900 -0.017 0.000 1.158 1052 G CA 1.182 46.307 45.100 0.041 0.000 0.771 1052 G HN 0.454 nan 8.290 nan 0.000 0.545 1053 L N 0.217 121.443 121.223 0.005 0.000 2.083 1053 L HA -0.083 4.258 4.340 0.001 0.000 0.209 1053 L C 2.661 179.511 176.870 -0.033 0.000 1.083 1053 L CA 1.228 56.072 54.840 0.006 0.000 0.752 1053 L CB -0.405 41.670 42.059 0.027 0.000 0.899 1053 L HN 0.229 nan 8.230 nan 0.000 0.433 1054 N N -0.046 118.610 118.700 -0.073 0.000 2.106 1054 N HA -0.184 4.557 4.740 0.001 0.000 0.188 1054 N C 1.815 177.244 175.510 -0.135 0.000 1.029 1054 N CA 1.101 54.100 53.050 -0.084 0.000 0.848 1054 N CB 0.089 38.540 38.487 -0.059 0.000 1.007 1054 N HN 0.116 nan 8.380 nan 0.000 0.423 1055 E N -0.015 120.019 120.200 -0.277 0.000 2.204 1055 E HA -0.109 4.242 4.350 0.001 0.000 0.195 1055 E C 0.746 177.291 176.600 -0.091 0.000 0.990 1055 E CA 0.798 57.062 56.400 -0.227 0.000 0.821 1055 E CB -0.059 29.449 29.700 -0.320 0.000 0.750 1055 E HN 0.531 nan 8.360 nan 0.000 0.477 1056 Q N -0.571 119.193 119.800 -0.060 0.000 2.204 1056 Q HA 0.186 4.527 4.340 0.001 0.000 0.209 1056 Q C 0.639 176.631 176.000 -0.013 0.000 0.861 1056 Q CA 0.290 56.081 55.803 -0.020 0.000 0.971 1056 Q CB 0.649 29.389 28.738 0.004 0.000 1.095 1056 Q HN 0.306 nan 8.270 nan 0.000 0.486 1057 G N 1.941 110.727 108.800 -0.023 0.000 2.283 1057 G HA2 -0.305 3.655 3.960 0.001 0.000 0.280 1057 G HA3 -0.305 3.655 3.960 0.001 0.000 0.280 1057 G C 0.301 175.194 174.900 -0.011 0.000 1.029 1057 G CA 0.349 45.441 45.100 -0.014 0.000 0.840 1057 G HN 0.365 nan 8.290 nan 0.000 0.505 1058 M N 2.215 121.809 119.600 -0.009 0.000 3.690 1058 M HA 0.179 4.659 4.480 0.001 0.000 0.209 1058 M C 1.213 177.501 176.300 -0.021 0.000 1.403 1058 M CA 0.495 55.791 55.300 -0.008 0.000 1.621 1058 M CB -0.369 32.239 32.600 0.013 0.000 1.056 1058 M HN 0.404 nan 8.290 nan 0.000 0.593 1059 T N -2.546 111.991 114.554 -0.028 0.000 2.874 1059 T HA 0.343 4.694 4.350 0.001 0.000 0.281 1059 T C -1.747 172.915 174.700 -0.063 0.000 0.994 1059 T CA -1.690 60.392 62.100 -0.030 0.000 1.015 1059 T CB 0.818 69.678 68.868 -0.014 0.000 1.028 1059 T HN 0.159 nan 8.240 nan 0.000 0.523 1060 P HA -0.082 nan 4.420 nan 0.000 0.220 1060 P C 1.081 178.324 177.300 -0.096 0.000 1.148 1060 P CA 1.025 64.071 63.100 -0.091 0.000 0.803 1060 P CB -0.054 31.623 31.700 -0.039 0.000 0.782 1061 D N -1.007 119.359 120.400 -0.058 0.000 2.317 1061 D HA -0.056 4.584 4.640 0.001 0.000 0.211 1061 D C 0.529 176.794 176.300 -0.058 0.000 0.966 1061 D CA 0.831 54.802 54.000 -0.048 0.000 0.876 1061 D CB -0.141 40.644 40.800 -0.024 0.000 0.927 1061 D HN 0.099 nan 8.370 nan 0.000 0.519 1062 K N 0.622 120.978 120.400 -0.073 0.000 2.177 1062 K HA 0.352 4.673 4.320 0.001 0.000 0.238 1062 K C 0.256 176.787 176.600 -0.114 0.000 1.015 1062 K CA -0.684 55.563 56.287 -0.066 0.000 0.922 1062 K CB 1.250 33.725 32.500 -0.042 0.000 1.127 1062 K HN 0.067 nan 8.250 nan 0.000 0.469 1063 S N -0.246 115.416 115.700 -0.063 0.000 2.593 1063 S HA 0.167 4.638 4.470 0.001 0.000 0.269 1063 S C -0.304 174.270 174.600 -0.044 0.000 1.334 1063 S CA -0.443 57.733 58.200 -0.041 0.000 1.015 1063 S CB -0.030 63.194 63.200 0.040 0.000 0.912 1063 S HN 0.296 nan 8.310 nan 0.000 0.541 1064 Y N 1.232 121.554 120.300 0.037 0.000 2.597 1064 Y HA 0.284 4.835 4.550 0.001 0.000 0.336 1064 Y C 1.062 176.994 175.900 0.053 0.000 1.216 1064 Y CA 0.257 58.385 58.100 0.048 0.000 1.463 1064 Y CB 0.597 39.094 38.460 0.061 0.000 1.303 1064 Y HN 0.466 nan 8.280 nan 0.000 0.576 1065 K N 2.847 123.382 120.400 0.223 0.000 2.203 1065 K HA 0.295 4.616 4.320 0.001 0.000 0.251 1065 K C -0.533 176.161 176.600 0.157 0.000 0.944 1065 K CA -1.201 55.175 56.287 0.149 0.000 0.829 1065 K CB 1.291 33.850 32.500 0.100 0.000 1.125 1065 K HN 0.427 nan 8.250 nan 0.000 0.430 1066 K N 1.279 121.746 120.400 0.111 0.000 2.484 1066 K HA 0.028 4.349 4.320 0.001 0.000 0.280 1066 K C 0.907 177.565 176.600 0.096 0.000 1.013 1066 K CA 0.245 56.586 56.287 0.089 0.000 1.029 1066 K CB 0.195 32.721 32.500 0.044 0.000 0.902 1066 K HN 0.494 nan 8.250 nan 0.000 0.481 1067 S N 2.139 117.904 115.700 0.110 0.000 2.382 1067 S HA -0.191 4.280 4.470 0.001 0.000 0.228 1067 S C 1.889 176.511 174.600 0.037 0.000 1.027 1067 S CA 1.385 59.665 58.200 0.133 0.000 0.991 1067 S CB -0.066 63.255 63.200 0.201 0.000 0.823 1067 S HN 0.748 nan 8.310 nan 0.000 0.469 1068 A N 1.983 124.776 122.820 -0.045 0.000 1.933 1068 A HA -0.121 4.200 4.320 0.001 0.000 0.218 1068 A C 2.160 179.734 177.584 -0.016 0.000 1.175 1068 A CA 1.226 53.218 52.037 -0.075 0.000 0.628 1068 A CB -0.415 18.518 19.000 -0.112 0.000 0.814 1068 A HN 0.425 nan 8.150 nan 0.000 0.444 1069 R N -0.619 119.887 120.500 0.009 0.000 2.092 1069 R HA 0.002 4.343 4.340 0.001 0.000 0.231 1069 R C 1.996 178.325 176.300 0.048 0.000 1.119 1069 R CA 1.415 57.530 56.100 0.025 0.000 0.970 1069 R CB -0.489 29.828 30.300 0.029 0.000 0.864 1069 R HN 0.569 nan 8.270 nan 0.000 0.440 1070 I N 0.335 120.948 120.570 0.072 0.000 2.142 1070 I HA -0.276 3.895 4.170 0.001 0.000 0.240 1070 I C 2.330 178.510 176.117 0.104 0.000 1.078 1070 I CA 1.280 62.638 61.300 0.098 0.000 1.343 1070 I CB -0.360 37.716 38.000 0.127 0.000 1.046 1070 I HN -0.049 nan 8.210 nan 0.000 0.405 1071 V N 1.113 121.086 119.914 0.098 0.000 2.295 1071 V HA -0.235 3.886 4.120 0.001 0.000 0.246 1071 V C 2.613 178.754 176.094 0.077 0.000 1.049 1071 V CA 2.261 64.621 62.300 0.099 0.000 1.024 1071 V CB -1.523 30.349 31.823 0.081 0.000 0.648 1071 V HN 0.595 nan 8.190 nan 0.000 0.447 1072 G N -0.229 108.598 108.800 0.045 0.000 2.446 1072 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 1072 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 1072 G C 1.215 176.139 174.900 0.039 0.000 1.168 1072 G CA 1.204 46.324 45.100 0.032 0.000 0.771 1072 G HN 0.521 nan 8.290 nan 0.000 0.551 1073 D N 0.038 120.466 120.400 0.046 0.000 2.117 1073 D HA -0.063 4.577 4.640 0.001 0.000 0.198 1073 D C 2.762 179.093 176.300 0.053 0.000 0.982 1073 D CA 0.602 54.622 54.000 0.034 0.000 0.828 1073 D CB -0.498 40.330 40.800 0.045 0.000 0.967 1073 D HN 0.202 nan 8.370 nan 0.000 0.464 1074 V N 0.889 120.890 119.914 0.145 0.000 2.407 1074 V HA -0.224 3.896 4.120 0.001 0.000 0.248 1074 V C 2.409 178.640 176.094 0.228 0.000 1.055 1074 V CA 1.381 63.844 62.300 0.272 0.000 1.049 1074 V CB -0.399 31.577 31.823 0.255 0.000 0.662 1074 V HN 0.206 nan 8.190 nan 0.000 0.455 1075 M N 0.265 119.957 119.600 0.154 0.000 2.132 1075 M HA -0.072 4.409 4.480 0.001 0.000 0.263 1075 M C 2.032 178.381 176.300 0.081 0.000 1.065 1075 M CA 2.216 57.592 55.300 0.126 0.000 1.122 1075 M CB -0.490 32.163 32.600 0.089 0.000 1.365 1075 M HN 0.391 nan 8.290 nan 0.000 0.411 1076 G N 0.104 108.938 108.800 0.056 0.000 2.394 1076 G HA2 -0.164 3.797 3.960 0.001 0.000 0.215 1076 G HA3 -0.164 3.797 3.960 0.001 0.000 0.215 1076 G C 1.537 176.475 174.900 0.063 0.000 1.165 1076 G CA 0.674 45.810 45.100 0.060 0.000 0.784 1076 G HN 0.427 nan 8.290 nan 0.000 0.535 1077 K N -1.189 119.129 120.400 -0.137 0.000 2.166 1077 K HA 0.132 4.453 4.320 0.001 0.000 0.201 1077 K C 1.688 178.097 176.600 -0.318 0.000 1.052 1077 K CA 0.881 56.901 56.287 -0.446 0.000 0.969 1077 K CB 0.095 31.954 32.500 -1.067 0.000 0.761 1077 K HN 0.493 nan 8.250 nan 0.000 0.459 1078 Y N -2.425 118.080 120.300 0.342 0.000 2.572 1078 Y HA 0.207 4.758 4.550 0.001 0.000 0.274 1078 Y C 0.333 176.427 175.900 0.323 0.000 1.135 1078 Y CA -0.440 57.875 58.100 0.358 0.000 1.230 1078 Y CB 0.307 38.942 38.460 0.292 0.000 1.293 1078 Y HN -0.059 nan 8.280 nan 0.000 0.501 1079 H N 3.442 122.642 119.070 0.218 0.000 2.697 1079 H HA 0.370 4.927 4.556 0.001 0.000 0.270 1079 H C -2.670 172.532 175.328 -0.210 0.000 1.188 1079 H CA -2.999 53.090 56.048 0.068 0.000 1.322 1079 H CB 1.257 31.119 29.762 0.168 0.000 1.405 1079 H HN -0.157 nan 8.280 nan 0.000 0.502 1080 P HA 0.107 nan 4.420 nan 0.000 0.225 1080 P C -0.693 175.952 177.300 -1.092 0.000 1.768 1080 P CA 0.335 62.823 63.100 -1.020 0.000 0.943 1080 P CB 0.014 30.850 31.700 -1.440 0.000 1.936 1081 H N -0.857 118.054 119.070 -0.265 0.000 2.960 1081 H HA 0.414 4.971 4.556 0.001 0.000 0.303 1081 H C 0.703 176.025 175.328 -0.011 0.000 1.412 1081 H CA -0.779 55.181 56.048 -0.147 0.000 1.227 1081 H CB 0.779 30.411 29.762 -0.217 0.000 1.912 1081 H HN 0.080 nan 8.280 nan 0.000 0.583 1082 G N -0.043 108.855 108.800 0.164 0.000 2.414 1082 G HA2 -0.020 3.941 3.960 0.001 0.000 0.236 1082 G HA3 -0.020 3.941 3.960 0.001 0.000 0.236 1082 G C 0.585 175.567 174.900 0.136 0.000 1.293 1082 G CA 0.421 45.591 45.100 0.116 0.000 0.869 1082 G HN 0.736 nan 8.290 nan 0.000 0.556 1083 D N -0.055 120.404 120.400 0.099 0.000 2.219 1083 D HA -0.191 4.450 4.640 0.001 0.000 0.205 1083 D C 2.303 178.681 176.300 0.130 0.000 0.970 1083 D CA 1.475 55.537 54.000 0.103 0.000 0.851 1083 D CB 0.007 40.837 40.800 0.050 0.000 0.943 1083 D HN 0.401 nan 8.370 nan 0.000 0.488 1084 S N -0.290 115.479 115.700 0.116 0.000 2.382 1084 S HA -0.173 4.298 4.470 0.001 0.000 0.228 1084 S C 2.079 176.760 174.600 0.136 0.000 1.027 1084 S CA 1.065 59.347 58.200 0.136 0.000 0.991 1084 S CB -0.652 62.608 63.200 0.101 0.000 0.823 1084 S HN 0.215 nan 8.310 nan 0.000 0.469 1085 S N 1.863 117.636 115.700 0.121 0.000 2.383 1085 S HA 0.141 4.612 4.470 0.001 0.000 0.227 1085 S C 1.771 176.413 174.600 0.069 0.000 1.026 1085 S CA 1.280 59.539 58.200 0.098 0.000 0.981 1085 S CB -0.485 62.788 63.200 0.122 0.000 0.818 1085 S HN 0.544 nan 8.310 nan 0.000 0.472 1086 I N -0.140 120.495 120.570 0.109 0.000 2.233 1086 I HA -0.164 4.007 4.170 0.001 0.000 0.243 1086 I C 2.263 178.438 176.117 0.096 0.000 1.093 1086 I CA 1.325 62.659 61.300 0.056 0.000 1.380 1086 I CB -0.461 37.606 38.000 0.112 0.000 1.067 1086 I HN 0.257 nan 8.210 nan 0.000 0.413 1087 Y N 2.095 122.408 120.300 0.021 0.000 2.145 1087 Y HA -0.264 4.287 4.550 0.001 0.000 0.286 1087 Y C 2.439 178.356 175.900 0.028 0.000 1.145 1087 Y CA 1.695 59.808 58.100 0.021 0.000 1.148 1087 Y CB -0.388 38.076 38.460 0.007 0.000 0.981 1087 Y HN 0.180 nan 8.280 nan 0.000 0.507 1088 E N -0.292 119.873 120.200 -0.058 0.000 2.153 1088 E HA -0.181 4.170 4.350 0.001 0.000 0.194 1088 E C 2.330 178.889 176.600 -0.068 0.000 0.988 1088 E CA 0.885 57.212 56.400 -0.122 0.000 0.811 1088 E CB -0.297 29.401 29.700 -0.002 0.000 0.746 1088 E HN 0.560 nan 8.360 nan 0.000 0.466 1089 A N 1.262 124.057 122.820 -0.041 0.000 1.898 1089 A HA -0.175 4.146 4.320 0.001 0.000 0.216 1089 A C 2.116 179.708 177.584 0.013 0.000 1.181 1089 A CA 1.253 53.275 52.037 -0.025 0.000 0.620 1089 A CB -0.427 18.406 19.000 -0.279 0.000 0.819 1089 A HN 0.228 nan 8.150 nan 0.000 0.442 1090 M N -0.372 119.208 119.600 -0.032 0.000 2.132 1090 M HA -0.113 4.368 4.480 0.001 0.000 0.263 1090 M C 1.916 178.218 176.300 0.003 0.000 1.065 1090 M CA 1.643 56.947 55.300 0.005 0.000 1.122 1090 M CB -0.191 32.449 32.600 0.067 0.000 1.365 1090 M HN 0.220 nan 8.290 nan 0.000 0.411 1091 V N 0.905 120.768 119.914 -0.084 0.000 2.287 1091 V HA -0.310 3.810 4.120 0.001 0.000 0.248 1091 V C 2.288 178.406 176.094 0.040 0.000 1.053 1091 V CA 2.111 64.420 62.300 0.015 0.000 1.027 1091 V CB -0.848 30.809 31.823 -0.276 0.000 0.646 1091 V HN 0.518 nan 8.190 nan 0.000 0.447 1092 R N -0.522 119.981 120.500 0.006 0.000 2.091 1092 R HA -0.143 4.198 4.340 0.001 0.000 0.238 1092 R C 2.265 178.482 176.300 -0.138 0.000 1.136 1092 R CA 1.677 57.801 56.100 0.040 0.000 0.959 1092 R CB -0.413 30.005 30.300 0.196 0.000 0.856 1092 R HN 0.436 nan 8.270 nan 0.000 0.437 1093 M N -0.072 119.303 119.600 -0.374 0.000 2.446 1093 M HA -0.065 4.416 4.480 0.001 0.000 0.263 1093 M C 1.886 177.898 176.300 -0.480 0.000 1.066 1093 M CA 1.116 55.892 55.300 -0.872 0.000 1.087 1093 M CB 0.065 32.334 32.600 -0.552 0.000 1.406 1093 M HN 0.224 nan 8.290 nan 0.000 0.459 1094 A N -0.630 122.029 122.820 -0.268 0.000 2.267 1094 A HA 0.104 4.424 4.320 0.001 0.000 0.213 1094 A C 0.599 178.038 177.584 -0.241 0.000 1.192 1094 A CA -0.107 51.768 52.037 -0.271 0.000 0.851 1094 A CB 0.038 18.777 19.000 -0.435 0.000 0.881 1094 A HN 0.411 nan 8.150 nan 0.000 0.494 1095 Q N 1.005 120.655 119.800 -0.250 0.000 2.314 1095 Q HA 0.202 4.543 4.340 0.001 0.000 0.257 1095 Q C -0.145 175.620 176.000 -0.392 0.000 0.975 1095 Q CA -0.221 55.298 55.803 -0.472 0.000 0.933 1095 Q CB 1.034 29.240 28.738 -0.885 0.000 1.195 1095 Q HN 0.531 nan 8.270 nan 0.000 0.426 1096 D N 1.903 122.144 120.400 -0.265 0.000 2.371 1096 D HA -0.160 4.480 4.640 0.001 0.000 0.221 1096 D C 0.759 177.073 176.300 0.023 0.000 0.986 1096 D CA 0.575 54.532 54.000 -0.072 0.000 0.899 1096 D CB -0.137 40.666 40.800 0.004 0.000 0.902 1096 D HN 0.601 nan 8.370 nan 0.000 0.530 1097 F N -1.545 118.481 119.950 0.126 0.000 2.749 1097 F HA 0.474 5.002 4.527 0.001 0.000 0.300 1097 F C 1.692 177.634 175.800 0.236 0.000 1.103 1097 F CA -0.504 57.586 58.000 0.150 0.000 1.342 1097 F CB -0.059 39.004 39.000 0.106 0.000 1.098 1097 F HN -0.129 nan 8.300 nan 0.000 0.586 1098 S N -1.635 114.071 115.700 0.010 0.000 2.566 1098 S HA 0.172 4.642 4.470 0.001 0.000 0.234 1098 S C -0.478 174.276 174.600 0.257 0.000 1.075 1098 S CA 0.039 58.370 58.200 0.219 0.000 0.926 1098 S CB -0.100 63.170 63.200 0.117 0.000 0.811 1098 S HN 0.202 nan 8.310 nan 0.000 0.518 1099 Y N 2.014 122.326 120.300 0.021 0.000 2.331 1099 Y HA 0.480 5.031 4.550 0.001 0.000 0.338 1099 Y C 1.024 176.879 175.900 -0.075 0.000 0.976 1099 Y CA -1.254 56.852 58.100 0.009 0.000 1.137 1099 Y CB 0.975 39.428 38.460 -0.011 0.000 1.172 1099 Y HN -0.077 nan 8.280 nan 0.000 0.478 1100 R N 2.004 122.445 120.500 -0.098 0.000 2.127 1100 R HA -0.105 4.236 4.340 0.001 0.000 0.238 1100 R C -0.931 174.948 176.300 -0.701 0.000 1.134 1100 R CA 1.677 57.550 56.100 -0.377 0.000 0.975 1100 R CB -0.227 29.843 30.300 -0.384 0.000 0.865 1100 R HN 0.645 nan 8.270 nan 0.000 0.447 1101 Y N -0.321 120.017 120.300 0.064 0.000 2.535 1101 Y HA 0.396 4.947 4.550 0.001 0.000 0.341 1101 Y C -2.252 173.706 175.900 0.097 0.000 1.041 1101 Y CA -3.349 54.764 58.100 0.022 0.000 1.307 1101 Y CB 1.404 39.805 38.460 -0.099 0.000 1.095 1101 Y HN -0.020 nan 8.280 nan 0.000 0.534 1102 P HA 0.038 nan 4.420 nan 0.000 0.264 1102 P C 0.534 177.835 177.300 0.001 0.000 1.183 1102 P CA 0.491 63.616 63.100 0.041 0.000 0.763 1102 P CB 0.978 32.661 31.700 -0.027 0.000 0.807 1103 L N 1.873 123.034 121.223 -0.103 0.000 2.513 1103 L HA 0.151 4.492 4.340 0.001 0.000 0.222 1103 L C 0.447 177.272 176.870 -0.075 0.000 1.096 1103 L CA 0.269 55.075 54.840 -0.057 0.000 0.857 1103 L CB 0.238 42.264 42.059 -0.055 0.000 1.026 1103 L HN 0.140 nan 8.230 nan 0.000 0.469 1104 V N -0.269 119.568 119.914 -0.129 0.000 2.604 1104 V HA 0.270 4.391 4.120 0.001 0.000 0.305 1104 V C -0.972 175.046 176.094 -0.126 0.000 1.043 1104 V CA -0.766 61.474 62.300 -0.101 0.000 0.888 1104 V CB 2.455 34.219 31.823 -0.098 0.000 0.995 1104 V HN -0.048 nan 8.190 nan 0.000 0.429 1105 D N 3.251 123.610 120.400 -0.068 0.000 2.412 1105 D HA 0.476 5.117 4.640 0.001 0.000 0.224 1105 D C 0.233 176.520 176.300 -0.022 0.000 1.093 1105 D CA 0.041 54.025 54.000 -0.027 0.000 0.850 1105 D CB 1.429 42.250 40.800 0.036 0.000 1.046 1105 D HN 0.696 nan 8.370 nan 0.000 0.507 1106 G N 2.562 111.131 108.800 -0.385 0.000 2.367 1106 G HA2 0.427 4.387 3.960 0.001 0.000 0.314 1106 G HA3 0.427 4.387 3.960 0.001 0.000 0.314 1106 G C -0.655 173.939 174.900 -0.510 0.000 1.130 1106 G CA -0.607 43.969 45.100 -0.873 0.000 0.864 1106 G HN 0.435 nan 8.290 nan 0.000 0.486 1107 Q N 1.089 120.682 119.800 -0.344 0.000 2.333 1107 Q HA 0.610 4.951 4.340 0.001 0.000 0.265 1107 Q C 0.357 176.429 176.000 0.120 0.000 0.989 1107 Q CA 0.593 56.166 55.803 -0.383 0.000 0.842 1107 Q CB 1.099 29.266 28.738 -0.952 0.000 1.262 1107 Q HN 1.580 nan 8.270 nan 0.000 0.451 1108 G N 3.237 112.116 108.800 0.133 0.000 2.396 1108 G HA2 -0.202 3.759 3.960 0.001 0.000 0.254 1108 G HA3 -0.202 3.759 3.960 0.001 0.000 0.254 1108 G C -1.116 173.955 174.900 0.284 0.000 1.248 1108 G CA -0.583 44.631 45.100 0.189 0.000 1.033 1108 G HN 0.799 nan 8.290 nan 0.000 0.502 1109 N N 0.437 119.231 118.700 0.155 0.000 2.406 1109 N HA 0.434 5.175 4.740 0.001 0.000 0.265 1109 N C -0.040 175.516 175.510 0.076 0.000 1.203 1109 N CA -0.238 52.886 53.050 0.122 0.000 0.945 1109 N CB -0.355 38.154 38.487 0.036 0.000 1.165 1109 N HN 0.400 nan 8.380 nan 0.000 0.485 1110 F N 2.343 122.335 119.950 0.071 0.000 2.772 1110 F HA 0.408 4.935 4.527 0.001 0.000 0.302 1110 F C 1.437 177.296 175.800 0.099 0.000 1.136 1110 F CA 0.398 58.433 58.000 0.057 0.000 1.322 1110 F CB 0.014 39.022 39.000 0.014 0.000 0.967 1110 F HN 0.674 nan 8.300 nan 0.000 0.513 1111 G N 0.674 109.601 108.800 0.213 0.000 2.757 1111 G HA2 0.132 4.093 3.960 0.001 0.000 0.638 1111 G HA3 0.132 4.093 3.960 0.001 0.000 0.638 1111 G C -0.517 174.578 174.900 0.325 0.000 1.344 1111 G CA -0.546 44.696 45.100 0.237 0.000 0.855 1111 G HN 0.732 nan 8.290 nan 0.000 0.537 1112 S N -1.476 114.347 115.700 0.204 0.000 2.671 1112 S HA 0.694 5.165 4.470 0.001 0.000 0.277 1112 S C 1.172 175.422 174.600 -0.583 0.000 1.165 1112 S CA 0.065 58.212 58.200 -0.088 0.000 0.822 1112 S CB 1.565 64.724 63.200 -0.069 0.000 1.150 1112 S HN 0.901 nan 8.310 nan 0.000 0.479 1113 M N 0.747 119.811 119.600 -0.893 0.000 2.460 1113 M HA -0.016 4.465 4.480 0.001 0.000 0.263 1113 M C 0.109 176.199 176.300 -0.349 0.000 1.071 1113 M CA 1.117 55.936 55.300 -0.800 0.000 1.096 1113 M CB -0.563 31.701 32.600 -0.560 0.000 1.408 1113 M HN 0.611 nan 8.290 nan 0.000 0.463 1114 D N -0.077 120.184 120.400 -0.231 0.000 2.319 1114 D HA 0.148 4.789 4.640 0.001 0.000 0.230 1114 D C 1.341 177.591 176.300 -0.083 0.000 1.094 1114 D CA 0.630 54.555 54.000 -0.125 0.000 0.856 1114 D CB 0.003 40.751 40.800 -0.087 0.000 0.915 1114 D HN 0.484 nan 8.370 nan 0.000 0.517 1115 G N 0.794 109.543 108.800 -0.084 0.000 2.179 1115 G HA2 -0.248 3.712 3.960 0.001 0.000 0.260 1115 G HA3 -0.248 3.712 3.960 0.001 0.000 0.260 1115 G C -0.099 174.805 174.900 0.006 0.000 0.977 1115 G CA -0.250 44.836 45.100 -0.023 0.000 0.641 1115 G HN 0.268 nan 8.290 nan 0.000 0.533 1116 D N 1.297 121.698 120.400 0.002 0.000 2.455 1116 D HA 0.429 5.069 4.640 0.001 0.000 0.241 1116 D C 1.225 177.558 176.300 0.055 0.000 1.138 1116 D CA 1.078 55.092 54.000 0.023 0.000 0.877 1116 D CB 1.078 41.888 40.800 0.017 0.000 1.187 1116 D HN 0.406 nan 8.370 nan 0.000 0.451 1117 G N 0.436 109.267 108.800 0.052 0.000 2.616 1117 G HA2 0.465 4.426 3.960 0.001 0.000 0.268 1117 G HA3 0.465 4.426 3.960 0.001 0.000 0.268 1117 G C -0.074 174.859 174.900 0.055 0.000 1.213 1117 G CA -0.400 44.736 45.100 0.060 0.000 0.926 1117 G HN 0.558 nan 8.290 nan 0.000 0.523 1118 A N -0.502 122.334 122.820 0.026 0.000 2.327 1118 A HA 0.675 4.996 4.320 0.001 0.000 0.255 1118 A C 1.005 178.616 177.584 0.045 0.000 1.099 1118 A CA 0.348 52.368 52.037 -0.029 0.000 0.801 1118 A CB -0.024 18.834 19.000 -0.237 0.000 1.062 1118 A HN 1.795 nan 8.150 nan 0.000 0.496 1119 A N 0.093 122.930 122.820 0.029 0.000 2.406 1119 A HA 0.544 4.865 4.320 0.001 0.000 0.243 1119 A C 0.959 178.666 177.584 0.205 0.000 1.082 1119 A CA 0.151 52.259 52.037 0.119 0.000 0.786 1119 A CB -0.522 18.542 19.000 0.107 0.000 1.029 1119 A HN 2.329 nan 8.150 nan 0.000 0.495 1120 A N 1.610 124.588 122.820 0.262 0.000 2.587 1120 A HA 0.273 4.594 4.320 0.001 0.000 0.233 1120 A C 1.407 178.896 177.584 -0.158 0.000 1.049 1120 A CA 0.639 52.714 52.037 0.064 0.000 0.754 1120 A CB -0.491 18.532 19.000 0.039 0.000 0.977 1120 A HN 1.489 nan 8.150 nan 0.000 0.509 1121 M N 2.666 121.917 119.600 -0.583 0.000 2.346 1121 M HA -0.204 4.277 4.480 0.001 0.000 0.263 1121 M C 1.765 177.822 176.300 -0.405 0.000 1.064 1121 M CA 2.216 57.019 55.300 -0.827 0.000 1.083 1121 M CB -0.542 31.246 32.600 -1.353 0.000 1.399 1121 M HN 0.830 nan 8.290 nan 0.000 0.435 1122 R N 0.356 120.594 120.500 -0.438 0.000 2.189 1122 R HA -0.059 4.282 4.340 0.001 0.000 0.223 1122 R C 1.218 177.289 176.300 -0.383 0.000 1.092 1122 R CA 1.518 57.358 56.100 -0.433 0.000 0.989 1122 R CB -0.960 29.010 30.300 -0.549 0.000 0.876 1122 R HN 0.471 nan 8.270 nan 0.000 0.457 1123 F N 1.962 121.869 119.950 -0.072 0.000 2.473 1123 F HA 0.054 4.582 4.527 0.001 0.000 0.294 1123 F C 1.457 177.250 175.800 -0.012 0.000 1.103 1123 F CA 0.534 58.513 58.000 -0.035 0.000 1.442 1123 F CB 0.046 39.027 39.000 -0.032 0.000 1.097 1123 F HN 0.047 nan 8.300 nan 0.000 0.547 1124 T N -1.195 113.442 114.554 0.138 0.000 2.902 1124 T HA 0.535 4.886 4.350 0.001 0.000 0.280 1124 T C -0.424 174.388 174.700 0.187 0.000 0.992 1124 T CA -0.696 61.496 62.100 0.153 0.000 1.015 1124 T CB 1.981 70.858 68.868 0.016 0.000 1.044 1124 T HN 0.080 nan 8.240 nan 0.000 0.520 1125 E N -0.525 119.833 120.200 0.262 0.000 2.393 1125 E HA 0.676 5.027 4.350 0.001 0.000 0.273 1125 E C -1.081 175.727 176.600 0.346 0.000 0.918 1125 E CA -1.441 55.105 56.400 0.243 0.000 0.773 1125 E CB 2.419 32.209 29.700 0.150 0.000 1.275 1125 E HN 0.983 nan 8.360 nan 0.000 0.451 1126 A N 1.439 124.483 122.820 0.373 0.000 2.609 1126 A HA 0.844 5.165 4.320 0.001 0.000 0.291 1126 A C -1.325 176.428 177.584 0.282 0.000 1.096 1126 A CA -0.797 51.458 52.037 0.363 0.000 0.684 1126 A CB 1.748 20.921 19.000 0.288 0.000 1.282 1126 A HN 0.709 nan 8.150 nan 0.000 0.412 1127 R N -0.264 120.333 120.500 0.162 0.000 2.741 1127 R HA 0.697 5.037 4.340 0.001 0.000 0.274 1127 R C -1.040 175.260 176.300 0.000 0.000 1.029 1127 R CA -0.980 55.134 56.100 0.024 0.000 0.880 1127 R CB 0.700 30.922 30.300 -0.129 0.000 1.264 1127 R HN 0.612 nan 8.270 nan 0.000 0.465 1128 M N 1.546 121.136 119.600 -0.017 0.000 2.226 1128 M HA 0.207 4.688 4.480 0.001 0.000 0.324 1128 M C 0.402 176.688 176.300 -0.022 0.000 1.112 1128 M CA -0.143 55.150 55.300 -0.011 0.000 1.176 1128 M CB 1.014 33.614 32.600 -0.000 0.000 1.430 1128 M HN 0.806 nan 8.290 nan 0.000 0.462 1129 T N -1.478 113.069 114.554 -0.012 0.000 2.847 1129 T HA 0.298 4.649 4.350 0.001 0.000 0.279 1129 T C 0.776 175.486 174.700 0.018 0.000 0.984 1129 T CA -0.861 61.238 62.100 -0.001 0.000 0.988 1129 T CB 1.123 69.990 68.868 -0.002 0.000 1.040 1129 T HN 0.625 nan 8.240 nan 0.000 0.528 1130 K N -0.079 120.361 120.400 0.068 0.000 2.097 1130 K HA 0.032 4.352 4.320 0.001 0.000 0.206 1130 K C 2.017 178.642 176.600 0.042 0.000 1.049 1130 K CA 0.969 57.339 56.287 0.139 0.000 0.933 1130 K CB -0.331 32.334 32.500 0.274 0.000 0.717 1130 K HN 0.554 nan 8.250 nan 0.000 0.442 1131 I N 1.061 121.514 120.570 -0.195 0.000 2.394 1131 I HA -0.245 3.926 4.170 0.001 0.000 0.251 1131 I C 1.596 177.574 176.117 -0.232 0.000 1.136 1131 I CA 1.185 62.047 61.300 -0.730 0.000 1.425 1131 I CB 0.018 37.446 38.000 -0.954 0.000 1.079 1131 I HN 0.155 nan 8.210 nan 0.000 0.425 1132 T N 1.459 115.984 114.554 -0.047 0.000 2.833 1132 T HA -0.149 4.202 4.350 0.001 0.000 0.269 1132 T C 1.838 176.571 174.700 0.055 0.000 1.054 1132 T CA 1.110 63.243 62.100 0.055 0.000 1.135 1132 T CB -0.233 68.658 68.868 0.037 0.000 0.869 1132 T HN 0.311 nan 8.240 nan 0.000 0.466 1133 L N 0.890 122.133 121.223 0.034 0.000 2.081 1133 L HA -0.134 4.207 4.340 0.001 0.000 0.212 1133 L C 2.734 179.644 176.870 0.067 0.000 1.080 1133 L CA 1.134 56.005 54.840 0.052 0.000 0.754 1133 L CB -0.477 41.622 42.059 0.067 0.000 0.893 1133 L HN 0.197 nan 8.230 nan 0.000 0.433 1134 E N 0.014 120.256 120.200 0.069 0.000 2.204 1134 E HA -0.134 4.216 4.350 0.001 0.000 0.194 1134 E C 2.320 178.995 176.600 0.125 0.000 0.989 1134 E CA 0.895 57.367 56.400 0.121 0.000 0.824 1134 E CB -0.145 29.635 29.700 0.134 0.000 0.756 1134 E HN 0.534 nan 8.360 nan 0.000 0.477 1135 L N -0.096 121.195 121.223 0.115 0.000 2.156 1135 L HA -0.070 4.271 4.340 0.001 0.000 0.208 1135 L C 2.142 179.019 176.870 0.012 0.000 1.095 1135 L CA 0.728 55.566 54.840 -0.004 0.000 0.770 1135 L CB -0.153 41.898 42.059 -0.013 0.000 0.914 1135 L HN 0.072 nan 8.230 nan 0.000 0.439 1136 L N -0.959 120.289 121.223 0.042 0.000 2.640 1136 L HA 0.114 4.455 4.340 0.001 0.000 0.230 1136 L C 1.213 178.110 176.870 0.044 0.000 1.123 1136 L CA -0.238 54.631 54.840 0.049 0.000 0.900 1136 L CB -0.020 42.079 42.059 0.067 0.000 1.146 1136 L HN 0.113 nan 8.230 nan 0.000 0.484 1137 R N 2.198 122.722 120.500 0.039 0.000 2.486 1137 R HA -0.097 4.243 4.340 0.001 0.000 0.303 1137 R C 0.187 176.494 176.300 0.011 0.000 0.958 1137 R CA 0.927 57.047 56.100 0.035 0.000 1.077 1137 R CB -0.098 30.230 30.300 0.047 0.000 0.921 1137 R HN 0.422 nan 8.270 nan 0.000 0.406 1138 D N 2.082 122.489 120.400 0.012 0.000 2.945 1138 D HA -0.269 4.372 4.640 0.001 0.000 0.225 1138 D C 0.361 176.638 176.300 -0.038 0.000 1.158 1138 D CA 1.265 55.255 54.000 -0.016 0.000 0.805 1138 D CB -1.709 39.079 40.800 -0.020 0.000 1.098 1138 D HN 0.698 nan 8.370 nan 0.000 0.426 1139 I N -0.662 119.913 120.570 0.008 0.000 2.493 1139 I HA -0.167 4.003 4.170 0.001 0.000 0.254 1139 I C 0.901 177.088 176.117 0.117 0.000 1.160 1139 I CA 0.954 62.278 61.300 0.040 0.000 1.445 1139 I CB -0.005 38.056 38.000 0.103 0.000 1.086 1139 I HN 0.109 nan 8.210 nan 0.000 0.433 1140 N N 1.411 120.147 118.700 0.061 0.000 2.313 1140 N HA 0.055 4.796 4.740 0.001 0.000 0.207 1140 N C 0.079 175.422 175.510 -0.278 0.000 1.141 1140 N CA 0.333 53.391 53.050 0.013 0.000 0.830 1140 N CB 0.273 38.780 38.487 0.033 0.000 1.008 1140 N HN 0.383 nan 8.380 nan 0.000 0.481 1141 K N 0.682 120.843 120.400 -0.398 0.000 2.832 1141 K HA 0.045 4.366 4.320 0.001 0.000 0.211 1141 K C -0.470 175.725 176.600 -0.675 0.000 1.112 1141 K CA -0.236 55.462 56.287 -0.983 0.000 1.108 1141 K CB 0.357 32.563 32.500 -0.489 0.000 0.899 1141 K HN -0.108 nan 8.250 nan 0.000 0.464 1142 D N 1.197 121.395 120.400 -0.337 0.000 2.701 1142 D HA -0.179 4.462 4.640 0.001 0.000 0.235 1142 D C 0.800 177.076 176.300 -0.040 0.000 1.155 1142 D CA 1.487 55.456 54.000 -0.052 0.000 0.649 1142 D CB -0.725 40.127 40.800 0.088 0.000 1.050 1142 D HN 0.510 nan 8.370 nan 0.000 0.425 1143 T N -2.773 111.734 114.554 -0.079 0.000 3.044 1143 T HA 0.251 4.602 4.350 0.001 0.000 0.255 1143 T C 1.068 175.711 174.700 -0.094 0.000 1.073 1143 T CA 0.605 62.653 62.100 -0.087 0.000 1.125 1143 T CB 0.004 68.806 68.868 -0.111 0.000 0.908 1143 T HN 0.449 nan 8.240 nan 0.000 0.480 1144 I N -1.656 118.845 120.570 -0.115 0.000 2.934 1144 I HA 0.711 4.882 4.170 0.001 0.000 0.306 1144 I C -1.862 174.136 176.117 -0.199 0.000 1.110 1144 I CA -1.631 59.575 61.300 -0.158 0.000 1.019 1144 I CB 1.571 39.442 38.000 -0.216 0.000 1.227 1144 I HN -0.314 nan 8.210 nan 0.000 0.434 1145 D N 3.851 124.151 120.400 -0.167 0.000 2.312 1145 D HA 0.351 4.992 4.640 0.001 0.000 0.252 1145 D C -0.715 175.456 176.300 -0.216 0.000 1.150 1145 D CA 0.514 54.450 54.000 -0.108 0.000 0.870 1145 D CB 0.500 41.269 40.800 -0.052 0.000 1.153 1145 D HN 0.337 nan 8.370 nan 0.000 0.457 1146 F N 1.642 121.561 119.950 -0.051 0.000 2.370 1146 F HA 0.451 4.979 4.527 0.001 0.000 0.324 1146 F C 0.950 176.725 175.800 -0.042 0.000 1.116 1146 F CA -0.715 57.244 58.000 -0.069 0.000 1.123 1146 F CB 0.791 39.759 39.000 -0.055 0.000 1.238 1146 F HN 0.197 nan 8.300 nan 0.000 0.536 1147 I N -2.080 118.580 120.570 0.150 0.000 3.074 1147 I HA 0.550 4.721 4.170 0.001 0.000 0.310 1147 I C -1.273 174.906 176.117 0.103 0.000 1.153 1147 I CA -1.273 60.082 61.300 0.091 0.000 0.993 1147 I CB 1.820 39.845 38.000 0.042 0.000 1.237 1147 I HN 0.206 nan 8.210 nan 0.000 0.443 1148 D N 3.341 123.785 120.400 0.073 0.000 2.414 1148 D HA 0.126 4.767 4.640 0.001 0.000 0.242 1148 D C 0.092 176.439 176.300 0.078 0.000 1.129 1148 D CA 0.185 54.221 54.000 0.061 0.000 0.885 1148 D CB 0.610 41.427 40.800 0.029 0.000 1.198 1148 D HN 0.666 nan 8.370 nan 0.000 0.437 1149 N N 1.224 119.972 118.700 0.080 0.000 2.290 1149 N HA -0.105 4.636 4.740 0.001 0.000 0.269 1149 N C 1.214 176.755 175.510 0.051 0.000 1.295 1149 N CA -0.161 52.961 53.050 0.120 0.000 0.932 1149 N CB -0.208 38.354 38.487 0.125 0.000 1.128 1149 N HN 0.547 nan 8.380 nan 0.000 0.532 1150 Y N -1.632 118.700 120.300 0.053 0.000 2.333 1150 Y HA -0.020 4.531 4.550 0.002 0.000 0.290 1150 Y C 0.790 176.682 175.900 -0.013 0.000 1.144 1150 Y CA 1.535 59.642 58.100 0.012 0.000 1.228 1150 Y CB -0.548 37.902 38.460 -0.017 0.000 0.985 1150 Y HN 0.565 nan 8.280 nan 0.000 0.542 1151 D N -1.619 118.394 120.400 -0.645 0.000 2.433 1151 D HA 0.220 4.861 4.640 0.001 0.000 0.211 1151 D C 1.722 177.869 176.300 -0.256 0.000 1.114 1151 D CA 0.195 53.938 54.000 -0.429 0.000 0.837 1151 D CB 0.101 40.555 40.800 -0.577 0.000 0.984 1151 D HN 0.472 nan 8.370 nan 0.000 0.505 1152 G N 0.853 109.532 108.800 -0.202 0.000 2.162 1152 G HA2 -0.343 3.618 3.960 0.001 0.000 0.260 1152 G HA3 -0.343 3.618 3.960 0.001 0.000 0.260 1152 G C 0.908 175.742 174.900 -0.111 0.000 0.976 1152 G CA 0.372 45.404 45.100 -0.113 0.000 0.655 1152 G HN 0.355 nan 8.290 nan 0.000 0.533 1153 N N 0.441 119.043 118.700 -0.163 0.000 2.373 1153 N HA 0.153 4.894 4.740 0.001 0.000 0.181 1153 N C 0.632 176.091 175.510 -0.084 0.000 1.082 1153 N CA 0.872 53.847 53.050 -0.124 0.000 0.885 1153 N CB 0.352 38.748 38.487 -0.153 0.000 0.977 1153 N HN 0.615 nan 8.380 nan 0.000 0.462 1154 E N 0.027 120.188 120.200 -0.065 0.000 2.445 1154 E HA 0.420 4.771 4.350 0.001 0.000 0.273 1154 E C -0.354 176.306 176.600 0.100 0.000 0.961 1154 E CA -0.601 55.816 56.400 0.029 0.000 0.807 1154 E CB 2.011 31.734 29.700 0.038 0.000 1.362 1154 E HN -0.148 nan 8.360 nan 0.000 0.453 1155 R N 1.078 121.686 120.500 0.180 0.000 2.670 1155 R HA 0.458 4.798 4.340 0.001 0.000 0.289 1155 R C -0.252 176.230 176.300 0.304 0.000 0.965 1155 R CA -0.545 55.665 56.100 0.183 0.000 0.899 1155 R CB 1.935 32.268 30.300 0.056 0.000 1.173 1155 R HN 0.702 nan 8.270 nan 0.000 0.456 1156 E N 1.698 122.038 120.200 0.232 0.000 2.383 1156 E HA 0.547 4.898 4.350 0.001 0.000 0.275 1156 E C -2.774 173.736 176.600 -0.149 0.000 0.918 1156 E CA -2.287 54.084 56.400 -0.048 0.000 0.764 1156 E CB 2.648 32.316 29.700 -0.054 0.000 1.252 1156 E HN 0.126 nan 8.360 nan 0.000 0.449 1157 P HA -0.024 nan 4.420 nan 0.000 0.276 1157 P C 0.549 177.608 177.300 -0.401 0.000 1.230 1157 P CA -0.249 62.402 63.100 -0.748 0.000 0.776 1157 P CB 1.507 32.722 31.700 -0.808 0.000 0.888 1158 S N 2.387 117.889 115.700 -0.331 0.000 2.428 1158 S HA 0.066 4.537 4.470 0.001 0.000 0.230 1158 S C 0.817 175.307 174.600 -0.185 0.000 1.014 1158 S CA 0.526 58.612 58.200 -0.190 0.000 0.957 1158 S CB -0.273 62.843 63.200 -0.141 0.000 0.784 1158 S HN 0.453 nan 8.310 nan 0.000 0.499 1159 V N 0.255 120.032 119.914 -0.228 0.000 3.204 1159 V HA 0.474 4.595 4.120 0.001 0.000 0.298 1159 V C -1.795 174.196 176.094 -0.171 0.000 1.328 1159 V CA -1.291 60.900 62.300 -0.181 0.000 1.035 1159 V CB 2.075 33.786 31.823 -0.186 0.000 1.095 1159 V HN 0.439 nan 8.190 nan 0.000 0.442 1160 L N 4.841 126.003 121.223 -0.101 0.000 2.360 1160 L HA 0.489 4.830 4.340 0.001 0.000 0.271 1160 L C -1.674 175.235 176.870 0.064 0.000 1.057 1160 L CA -1.746 53.060 54.840 -0.056 0.000 0.803 1160 L CB 1.645 43.677 42.059 -0.045 0.000 1.207 1160 L HN 0.457 nan 8.230 nan 0.000 0.445 1161 P HA -0.201 nan 4.420 nan 0.000 0.216 1161 P C 0.284 177.586 177.300 0.004 0.000 1.150 1161 P CA 1.340 64.415 63.100 -0.041 0.000 0.843 1161 P CB 0.119 31.777 31.700 -0.070 0.000 0.787 1162 A N -0.761 122.062 122.820 0.005 0.000 2.136 1162 A HA -0.222 4.099 4.320 0.001 0.000 0.274 1162 A C 1.114 178.715 177.584 0.028 0.000 1.388 1162 A CA 0.402 52.410 52.037 -0.048 0.000 0.741 1162 A CB -1.524 17.490 19.000 0.024 0.000 1.173 1162 A HN 0.125 nan 8.150 nan 0.000 0.329 1163 R N -0.416 120.099 120.500 0.026 0.000 2.323 1163 R HA 0.162 4.502 4.340 0.001 0.000 0.198 1163 R C 0.392 176.851 176.300 0.264 0.000 0.988 1163 R CA 1.364 57.538 56.100 0.122 0.000 1.041 1163 R CB -0.913 29.448 30.300 0.103 0.000 0.926 1163 R HN 1.050 nan 8.270 nan 0.000 0.476 1164 F N -1.311 118.701 119.950 0.102 0.000 2.576 1164 F HA 0.578 5.106 4.527 0.001 0.000 0.313 1164 F C -2.609 173.052 175.800 -0.232 0.000 1.078 1164 F CA -3.478 54.500 58.000 -0.036 0.000 0.921 1164 F CB 1.570 40.470 39.000 -0.168 0.000 1.232 1164 F HN -0.281 nan 8.300 nan 0.000 0.459 1165 P HA 0.069 nan 4.420 nan 0.000 0.249 1165 P C -0.313 176.702 177.300 -0.474 0.000 1.737 1165 P CA 0.383 62.832 63.100 -1.086 0.000 1.128 1165 P CB 0.417 31.540 31.700 -0.962 0.000 1.942 1166 N N 2.301 120.682 118.700 -0.531 0.000 2.188 1166 N HA -0.166 4.575 4.740 0.001 0.000 0.184 1166 N C 1.546 176.982 175.510 -0.124 0.000 1.018 1166 N CA 0.774 53.640 53.050 -0.307 0.000 0.858 1166 N CB -0.632 37.552 38.487 -0.505 0.000 0.989 1166 N HN 0.124 nan 8.380 nan 0.000 0.426 1167 L N 0.420 121.550 121.223 -0.154 0.000 1.990 1167 L HA -0.097 4.244 4.340 0.001 0.000 0.213 1167 L C 1.864 178.704 176.870 -0.049 0.000 1.072 1167 L CA 1.691 56.481 54.840 -0.083 0.000 0.755 1167 L CB -0.569 41.443 42.059 -0.077 0.000 0.889 1167 L HN 0.279 nan 8.230 nan 0.000 0.432 1168 L N -1.181 119.980 121.223 -0.103 0.000 2.179 1168 L HA -0.023 4.318 4.340 0.001 0.000 0.208 1168 L C 2.608 179.525 176.870 0.080 0.000 1.096 1168 L CA 0.744 55.536 54.840 -0.080 0.000 0.779 1168 L CB -0.807 41.047 42.059 -0.342 0.000 0.922 1168 L HN 0.359 nan 8.230 nan 0.000 0.443 1169 A N 0.357 123.204 122.820 0.045 0.000 1.877 1169 A HA -0.178 4.143 4.320 0.001 0.000 0.216 1169 A C 2.006 179.710 177.584 0.199 0.000 1.186 1169 A CA 1.841 53.979 52.037 0.168 0.000 0.620 1169 A CB -0.361 18.752 19.000 0.187 0.000 0.822 1169 A HN 0.402 nan 8.150 nan 0.000 0.443 1170 N N -1.127 117.649 118.700 0.127 0.000 2.356 1170 N HA 0.243 4.984 4.740 0.001 0.000 0.178 1170 N C 1.046 176.488 175.510 -0.114 0.000 1.075 1170 N CA 1.048 54.092 53.050 -0.010 0.000 0.889 1170 N CB 0.472 38.966 38.487 0.012 0.000 0.999 1170 N HN 0.650 nan 8.380 nan 0.000 0.464 1171 G N 0.718 109.505 108.800 -0.021 0.000 2.698 1171 G HA2 0.128 4.088 3.960 0.001 0.000 0.233 1171 G HA3 0.128 4.088 3.960 0.001 0.000 0.233 1171 G C -0.826 174.080 174.900 0.010 0.000 1.352 1171 G CA -0.232 44.883 45.100 0.024 0.000 0.879 1171 G HN 0.652 nan 8.290 nan 0.000 0.567 1172 A N -1.565 121.311 122.820 0.092 0.000 2.590 1172 A HA 0.982 5.303 4.320 0.001 0.000 0.294 1172 A C -0.198 177.465 177.584 0.132 0.000 1.046 1172 A CA 0.910 52.990 52.037 0.071 0.000 0.684 1172 A CB 0.987 20.011 19.000 0.039 0.000 1.279 1172 A HN 2.633 nan 8.150 nan 0.000 0.415 1173 S N 0.164 115.924 115.700 0.100 0.000 2.547 1173 S HA 0.907 5.378 4.470 0.001 0.000 0.281 1173 S C -0.325 174.313 174.600 0.063 0.000 1.118 1173 S CA -0.071 58.178 58.200 0.082 0.000 0.947 1173 S CB 1.600 64.841 63.200 0.069 0.000 1.053 1173 S HN 2.410 nan 8.310 nan 0.000 0.482 1174 G N 1.745 110.572 108.800 0.046 0.000 2.766 1174 G HA2 0.584 4.545 3.960 0.001 0.000 0.297 1174 G HA3 0.584 4.545 3.960 0.001 0.000 0.297 1174 G C -1.380 173.535 174.900 0.024 0.000 1.431 1174 G CA -0.799 44.326 45.100 0.041 0.000 1.042 1174 G HN 0.815 nan 8.290 nan 0.000 0.542 1175 I N 2.398 122.981 120.570 0.021 0.000 2.307 1175 I HA 0.524 4.694 4.170 0.001 0.000 0.289 1175 I C 0.903 177.022 176.117 0.003 0.000 1.021 1175 I CA -0.462 60.848 61.300 0.016 0.000 1.224 1175 I CB 1.520 39.535 38.000 0.024 0.000 1.376 1175 I HN 0.643 nan 8.210 nan 0.000 0.470 1176 A N 6.447 129.264 122.820 -0.005 0.000 3.778 1176 A HA 0.823 5.144 4.320 0.001 0.000 0.156 1176 A C -0.219 177.343 177.584 -0.036 0.000 1.681 1176 A CA -0.306 51.706 52.037 -0.041 0.000 1.240 1176 A CB 0.594 19.571 19.000 -0.039 0.000 1.750 1176 A HN 0.365 nan 8.150 nan 0.000 0.675 1177 V N -0.971 118.916 119.914 -0.045 0.000 2.577 1177 V HA 0.574 4.695 4.120 0.001 0.000 0.303 1177 V C 0.922 177.053 176.094 0.063 0.000 1.042 1177 V CA 0.334 62.639 62.300 0.009 0.000 0.872 1177 V CB 0.524 32.296 31.823 -0.085 0.000 0.998 1177 V HN 1.986 nan 8.190 nan 0.000 0.423 1178 G N 4.270 113.137 108.800 0.111 0.000 2.212 1178 G HA2 -0.241 3.720 3.960 0.001 0.000 0.266 1178 G HA3 -0.241 3.720 3.960 0.001 0.000 0.266 1178 G C -0.029 174.915 174.900 0.073 0.000 0.978 1178 G CA 0.958 46.124 45.100 0.111 0.000 0.632 1178 G HN 1.178 nan 8.290 nan 0.000 0.537 1179 M N -2.723 116.909 119.600 0.053 0.000 3.012 1179 M HA 0.781 5.262 4.480 0.001 0.000 0.272 1179 M C -0.836 175.480 176.300 0.027 0.000 1.187 1179 M CA -0.446 54.877 55.300 0.039 0.000 0.813 1179 M CB 1.318 33.940 32.600 0.036 0.000 1.626 1179 M HN 1.619 nan 8.290 nan 0.000 0.507 1180 A N 0.214 123.049 122.820 0.024 0.000 2.567 1180 A HA 0.963 5.284 4.320 0.001 0.000 0.289 1180 A C -1.262 176.336 177.584 0.023 0.000 1.177 1180 A CA -0.366 51.682 52.037 0.019 0.000 0.694 1180 A CB 1.837 20.845 19.000 0.014 0.000 1.292 1180 A HN 1.013 nan 8.150 nan 0.000 0.425 1181 T N -0.141 114.429 114.554 0.026 0.000 2.916 1181 T HA 0.629 4.979 4.350 0.001 0.000 0.305 1181 T C -1.942 172.787 174.700 0.049 0.000 1.119 1181 T CA -0.467 61.658 62.100 0.042 0.000 1.008 1181 T CB 1.200 70.096 68.868 0.047 0.000 1.129 1181 T HN 0.788 nan 8.240 nan 0.000 0.480 1182 N N 3.336 122.086 118.700 0.083 0.000 2.664 1182 N HA 0.431 5.171 4.740 0.001 0.000 0.268 1182 N C -1.578 174.123 175.510 0.318 0.000 1.222 1182 N CA -0.327 52.793 53.050 0.116 0.000 0.805 1182 N CB 0.583 39.019 38.487 -0.086 0.000 1.399 1182 N HN 0.598 nan 8.380 nan 0.000 0.547 1183 I N 3.860 124.646 120.570 0.360 0.000 2.389 1183 I HA 0.477 4.648 4.170 0.001 0.000 0.288 1183 I C -2.078 174.245 176.117 0.343 0.000 0.999 1183 I CA -2.015 59.487 61.300 0.336 0.000 1.129 1183 I CB 2.292 40.406 38.000 0.189 0.000 1.288 1183 I HN 0.244 nan 8.210 nan 0.000 0.444 1184 P HA 0.297 nan 4.420 nan 0.000 0.276 1184 P C -2.719 174.383 177.300 -0.330 0.000 1.244 1184 P CA -1.871 61.008 63.100 -0.368 0.000 0.801 1184 P CB 0.343 31.490 31.700 -0.921 0.000 1.006 1185 P HA 0.246 nan 4.420 nan 0.000 0.274 1185 P C -0.757 176.180 177.300 -0.606 0.000 1.237 1185 P CA 0.273 63.147 63.100 -0.378 0.000 0.793 1185 P CB 0.493 31.917 31.700 -0.459 0.000 0.977 1186 H N -1.441 117.512 119.070 -0.194 0.000 2.949 1186 H HA 0.313 4.870 4.556 0.001 0.000 0.356 1186 H C 0.172 175.494 175.328 -0.010 0.000 1.212 1186 H CA -0.735 55.222 56.048 -0.151 0.000 1.136 1186 H CB 1.015 30.708 29.762 -0.115 0.000 1.869 1186 H HN 0.342 nan 8.280 nan 0.000 0.556 1187 N N 1.773 120.537 118.700 0.107 0.000 2.458 1187 N HA -0.041 4.700 4.740 0.001 0.000 0.270 1187 N C 0.729 176.303 175.510 0.107 0.000 1.102 1187 N CA -0.098 53.037 53.050 0.141 0.000 0.967 1187 N CB 0.959 39.480 38.487 0.057 0.000 1.078 1187 N HN 0.500 nan 8.380 nan 0.000 0.471 1188 L N 4.689 125.960 121.223 0.081 0.000 2.083 1188 L HA -0.111 4.230 4.340 0.001 0.000 0.209 1188 L C 2.036 178.857 176.870 -0.082 0.000 1.083 1188 L CA 1.887 56.629 54.840 -0.163 0.000 0.752 1188 L CB -0.855 40.851 42.059 -0.589 0.000 0.899 1188 L HN 0.633 nan 8.230 nan 0.000 0.433 1189 T N -0.513 114.027 114.554 -0.024 0.000 2.674 1189 T HA -0.193 4.158 4.350 0.001 0.000 0.265 1189 T C 1.665 176.355 174.700 -0.017 0.000 1.039 1189 T CA 1.799 63.890 62.100 -0.014 0.000 1.150 1189 T CB -0.257 68.615 68.868 0.006 0.000 0.864 1189 T HN 0.477 nan 8.240 nan 0.000 0.427 1190 E N 0.895 121.090 120.200 -0.008 0.000 2.058 1190 E HA -0.092 4.259 4.350 0.001 0.000 0.194 1190 E C 2.309 178.882 176.600 -0.045 0.000 0.997 1190 E CA 0.956 57.347 56.400 -0.016 0.000 0.801 1190 E CB -0.388 29.313 29.700 0.001 0.000 0.746 1190 E HN 0.400 nan 8.360 nan 0.000 0.450 1191 L N 0.708 121.895 121.223 -0.061 0.000 2.012 1191 L HA -0.209 4.131 4.340 0.001 0.000 0.210 1191 L C 2.536 179.353 176.870 -0.089 0.000 1.073 1191 L CA 1.074 55.848 54.840 -0.111 0.000 0.748 1191 L CB -0.374 41.600 42.059 -0.140 0.000 0.891 1191 L HN 0.173 nan 8.230 nan 0.000 0.431 1192 I N -0.260 120.274 120.570 -0.060 0.000 2.315 1192 I HA -0.260 3.910 4.170 0.001 0.000 0.248 1192 I C 2.155 178.262 176.117 -0.016 0.000 1.117 1192 I CA 0.886 62.171 61.300 -0.024 0.000 1.404 1192 I CB -0.419 37.577 38.000 -0.006 0.000 1.071 1192 I HN 0.343 nan 8.210 nan 0.000 0.419 1193 N N 1.286 119.972 118.700 -0.024 0.000 2.166 1193 N HA -0.130 4.611 4.740 0.001 0.000 0.186 1193 N C 1.903 177.396 175.510 -0.028 0.000 1.019 1193 N CA 1.622 54.660 53.050 -0.020 0.000 0.856 1193 N CB -0.707 37.769 38.487 -0.019 0.000 0.993 1193 N HN 0.414 nan 8.380 nan 0.000 0.426 1194 G N 0.604 109.375 108.800 -0.047 0.000 2.402 1194 G HA2 -0.162 3.799 3.960 0.001 0.000 0.216 1194 G HA3 -0.162 3.799 3.960 0.001 0.000 0.216 1194 G C 1.706 176.578 174.900 -0.047 0.000 1.162 1194 G CA 0.767 45.830 45.100 -0.062 0.000 0.777 1194 G HN 0.198 nan 8.290 nan 0.000 0.539 1195 V N 1.065 120.960 119.914 -0.031 0.000 2.343 1195 V HA -0.139 3.982 4.120 0.001 0.000 0.247 1195 V C 2.916 179.015 176.094 0.008 0.000 1.051 1195 V CA 1.433 63.739 62.300 0.010 0.000 1.036 1195 V CB -0.466 31.401 31.823 0.072 0.000 0.654 1195 V HN 0.339 nan 8.190 nan 0.000 0.451 1196 L N -0.274 120.951 121.223 0.003 0.000 2.046 1196 L HA -0.158 4.183 4.340 0.001 0.000 0.208 1196 L C 2.645 179.509 176.870 -0.009 0.000 1.077 1196 L CA 1.668 56.508 54.840 0.000 0.000 0.747 1196 L CB -0.673 41.387 42.059 0.000 0.000 0.896 1196 L HN 0.303 nan 8.230 nan 0.000 0.432 1197 S N 0.149 115.840 115.700 -0.016 0.000 2.368 1197 S HA -0.183 4.288 4.470 0.001 0.000 0.225 1197 S C 1.855 176.441 174.600 -0.022 0.000 1.030 1197 S CA 1.315 59.503 58.200 -0.020 0.000 0.999 1197 S CB -0.355 62.830 63.200 -0.024 0.000 0.844 1197 S HN 0.267 nan 8.310 nan 0.000 0.459 1198 L N 2.449 123.656 121.223 -0.026 0.000 2.083 1198 L HA -0.086 4.254 4.340 0.001 0.000 0.209 1198 L C 2.327 179.182 176.870 -0.025 0.000 1.083 1198 L CA 2.116 56.938 54.840 -0.029 0.000 0.752 1198 L CB -0.941 41.098 42.059 -0.033 0.000 0.899 1198 L HN 0.404 nan 8.230 nan 0.000 0.433 1199 S N -1.493 114.196 115.700 -0.018 0.000 2.447 1199 S HA -0.163 4.308 4.470 0.001 0.000 0.233 1199 S C 1.820 176.408 174.600 -0.019 0.000 1.006 1199 S CA 1.088 59.277 58.200 -0.019 0.000 0.957 1199 S CB -0.466 62.726 63.200 -0.013 0.000 0.773 1199 S HN 0.600 nan 8.310 nan 0.000 0.507 1200 K N 0.706 121.095 120.400 -0.018 0.000 2.367 1200 K HA 0.266 4.586 4.320 0.001 0.000 0.194 1200 K C 0.020 176.609 176.600 -0.018 0.000 1.027 1200 K CA 0.069 56.346 56.287 -0.017 0.000 1.075 1200 K CB 0.193 32.685 32.500 -0.014 0.000 0.845 1200 K HN 0.301 nan 8.250 nan 0.000 0.529 1201 N N 0.219 118.906 118.700 -0.021 0.000 2.664 1201 N HA 0.143 4.884 4.740 0.001 0.000 0.268 1201 N C -2.664 172.829 175.510 -0.027 0.000 1.222 1201 N CA -1.702 51.335 53.050 -0.022 0.000 0.805 1201 N CB 1.433 39.908 38.487 -0.020 0.000 1.399 1201 N HN -0.268 nan 8.380 nan 0.000 0.547 1202 P HA 0.018 nan 4.420 nan 0.000 0.222 1202 P C -0.069 177.210 177.300 -0.035 0.000 1.147 1202 P CA 1.065 64.143 63.100 -0.035 0.000 0.790 1202 P CB 0.387 32.066 31.700 -0.034 0.000 0.780 1203 D N -1.041 119.342 120.400 -0.028 0.000 2.342 1203 D HA 0.091 4.732 4.640 0.001 0.000 0.221 1203 D C 0.901 177.187 176.300 -0.024 0.000 1.101 1203 D CA -0.289 53.696 54.000 -0.025 0.000 0.837 1203 D CB -0.060 40.728 40.800 -0.020 0.000 0.938 1203 D HN 0.233 nan 8.370 nan 0.000 0.508 1204 I N 1.853 122.407 120.570 -0.027 0.000 2.872 1204 I HA -0.118 4.052 4.170 0.001 0.000 0.291 1204 I C 0.791 176.893 176.117 -0.025 0.000 1.216 1204 I CA 0.226 61.511 61.300 -0.025 0.000 1.424 1204 I CB 0.566 38.548 38.000 -0.029 0.000 1.351 1204 I HN -0.049 nan 8.210 nan 0.000 0.592 1205 S N 7.000 122.689 115.700 -0.019 0.000 2.693 1205 S HA 0.334 4.805 4.470 0.001 0.000 0.276 1205 S C 1.227 175.818 174.600 -0.015 0.000 1.192 1205 S CA -0.938 57.254 58.200 -0.014 0.000 0.994 1205 S CB 1.593 64.790 63.200 -0.005 0.000 1.012 1205 S HN 0.557 nan 8.310 nan 0.000 0.550 1206 I N 1.076 121.642 120.570 -0.006 0.000 2.226 1206 I HA -0.151 4.020 4.170 0.001 0.000 0.245 1206 I C 2.854 178.981 176.117 0.017 0.000 1.100 1206 I CA 1.815 63.116 61.300 0.001 0.000 1.374 1206 I CB -2.227 35.792 38.000 0.032 0.000 1.057 1206 I HN 0.873 nan 8.210 nan 0.000 0.413 1207 A N 0.713 123.546 122.820 0.022 0.000 1.908 1207 A HA -0.217 4.103 4.320 0.001 0.000 0.218 1207 A C 2.254 179.846 177.584 0.014 0.000 1.181 1207 A CA 1.673 53.725 52.037 0.026 0.000 0.627 1207 A CB -0.614 18.398 19.000 0.020 0.000 0.818 1207 A HN 0.497 nan 8.150 nan 0.000 0.445 1208 E N -0.266 119.934 120.200 0.001 0.000 2.072 1208 E HA -0.123 4.228 4.350 0.001 0.000 0.191 1208 E C 1.945 178.537 176.600 -0.014 0.000 0.985 1208 E CA 1.024 57.420 56.400 -0.006 0.000 0.801 1208 E CB -0.296 29.397 29.700 -0.011 0.000 0.750 1208 E HN 0.614 nan 8.360 nan 0.000 0.452 1209 L N 0.389 121.596 121.223 -0.027 0.000 2.079 1209 L HA -0.177 4.164 4.340 0.001 0.000 0.210 1209 L C 2.438 179.283 176.870 -0.043 0.000 1.081 1209 L CA 0.993 55.802 54.840 -0.052 0.000 0.752 1209 L CB -0.245 41.760 42.059 -0.090 0.000 0.896 1209 L HN 0.213 nan 8.230 nan 0.000 0.433 1210 M N -0.976 118.621 119.600 -0.004 0.000 2.632 1210 M HA -0.145 4.336 4.480 0.001 0.000 0.256 1210 M C 1.649 177.967 176.300 0.030 0.000 1.080 1210 M CA 1.103 56.428 55.300 0.042 0.000 1.084 1210 M CB -0.236 32.429 32.600 0.108 0.000 1.439 1210 M HN 0.237 nan 8.290 nan 0.000 0.509 1211 E N 0.326 120.532 120.200 0.010 0.000 2.274 1211 E HA -0.135 4.216 4.350 0.001 0.000 0.194 1211 E C 1.152 177.753 176.600 0.000 0.000 0.996 1211 E CA 0.650 57.054 56.400 0.006 0.000 0.840 1211 E CB 0.162 29.862 29.700 0.001 0.000 0.772 1211 E HN 0.501 nan 8.360 nan 0.000 0.491 1212 D N 0.203 120.597 120.400 -0.010 0.000 2.369 1212 D HA 0.078 4.719 4.640 0.001 0.000 0.231 1212 D C 0.573 176.865 176.300 -0.013 0.000 0.967 1212 D CA 0.528 54.518 54.000 -0.017 0.000 0.905 1212 D CB 0.570 41.350 40.800 -0.033 0.000 1.044 1212 D HN 0.067 nan 8.370 nan 0.000 0.487 1213 I N 2.185 122.742 120.570 -0.021 0.000 2.310 1213 I HA 0.106 4.276 4.170 0.001 0.000 0.287 1213 I C 1.079 177.251 176.117 0.091 0.000 1.073 1213 I CA -0.113 61.185 61.300 -0.003 0.000 1.216 1213 I CB 1.117 39.043 38.000 -0.124 0.000 1.415 1213 I HN -0.157 nan 8.210 nan 0.000 0.480 1214 E N 4.233 124.482 120.200 0.082 0.000 2.153 1214 E HA 0.056 4.406 4.350 0.001 0.000 0.194 1214 E C 1.105 177.782 176.600 0.128 0.000 0.988 1214 E CA 0.508 56.958 56.400 0.083 0.000 0.811 1214 E CB 0.166 29.883 29.700 0.030 0.000 0.746 1214 E HN 0.879 nan 8.360 nan 0.000 0.466 1215 G N 0.180 109.088 108.800 0.181 0.000 2.356 1215 G HA2 0.058 4.018 3.960 0.001 0.000 0.288 1215 G HA3 0.058 4.018 3.960 0.001 0.000 0.288 1215 G C -3.044 171.837 174.900 -0.032 0.000 1.302 1215 G CA -1.230 43.952 45.100 0.136 0.000 0.887 1215 G HN -0.205 nan 8.290 nan 0.000 0.521 1216 P HA 0.375 nan 4.420 nan 0.000 0.270 1216 P C -1.033 175.774 177.300 -0.822 0.000 1.223 1216 P CA 0.231 62.766 63.100 -0.941 0.000 0.785 1216 P CB 0.782 31.738 31.700 -1.240 0.000 0.923 1217 D N 1.023 120.879 120.400 -0.905 0.000 2.386 1217 D HA 0.294 4.935 4.640 0.001 0.000 0.247 1217 D C -1.263 174.646 176.300 -0.651 0.000 1.336 1217 D CA -0.431 53.223 54.000 -0.577 0.000 0.976 1217 D CB -0.034 40.601 40.800 -0.275 0.000 1.257 1217 D HN -0.028 nan 8.370 nan 0.000 0.570 1218 F N 3.259 123.004 119.950 -0.343 0.000 2.389 1218 F HA 0.316 4.844 4.527 0.001 0.000 0.337 1218 F C -0.801 174.837 175.800 -0.270 0.000 1.112 1218 F CA -1.863 55.870 58.000 -0.445 0.000 1.192 1218 F CB 0.586 39.365 39.000 -0.367 0.000 1.185 1218 F HN 0.225 nan 8.300 nan 0.000 0.552 1219 P HA -0.122 nan 4.420 nan 0.000 0.220 1219 P C 0.988 178.346 177.300 0.097 0.000 1.148 1219 P CA 1.559 64.653 63.100 -0.010 0.000 0.803 1219 P CB -0.333 31.396 31.700 0.048 0.000 0.782 1220 T N -4.011 110.659 114.554 0.193 0.000 3.169 1220 T HA 0.519 4.870 4.350 0.001 0.000 0.250 1220 T C 1.102 175.880 174.700 0.130 0.000 1.111 1220 T CA 0.315 62.524 62.100 0.182 0.000 1.010 1220 T CB -0.529 68.475 68.868 0.228 0.000 0.984 1220 T HN 0.269 nan 8.240 nan 0.000 0.537 1221 A N 1.227 124.120 122.820 0.121 0.000 5.277 1221 A HA 0.189 4.510 4.320 0.001 0.000 0.304 1221 A C 1.464 179.122 177.584 0.124 0.000 1.976 1221 A CA 1.099 53.193 52.037 0.096 0.000 0.715 1221 A CB -1.908 17.128 19.000 0.059 0.000 1.275 1221 A HN 2.293 nan 8.150 nan 0.000 0.367 1222 G N -3.186 105.664 108.800 0.084 0.000 2.593 1222 G HA2 0.295 4.256 3.960 0.001 0.000 0.237 1222 G HA3 0.295 4.256 3.960 0.001 0.000 0.237 1222 G C -0.579 174.365 174.900 0.073 0.000 1.312 1222 G CA 0.454 45.599 45.100 0.074 0.000 0.896 1222 G HN 2.062 nan 8.290 nan 0.000 0.574 1223 L N -0.432 120.827 121.223 0.059 0.000 2.371 1223 L HA 0.803 5.144 4.340 0.001 0.000 0.262 1223 L C 0.331 177.229 176.870 0.047 0.000 1.006 1223 L CA -0.677 54.188 54.840 0.041 0.000 0.818 1223 L CB 1.967 44.030 42.059 0.006 0.000 1.354 1223 L HN 0.680 nan 8.230 nan 0.000 0.415 1224 I N 2.433 123.026 120.570 0.039 0.000 2.474 1224 I HA 0.399 4.570 4.170 0.001 0.000 0.294 1224 I C -0.839 175.273 176.117 -0.009 0.000 1.005 1224 I CA -0.615 60.706 61.300 0.034 0.000 1.113 1224 I CB 1.734 39.758 38.000 0.040 0.000 1.289 1224 I HN 0.295 nan 8.210 nan 0.000 0.436 1225 L N 6.215 127.423 121.223 -0.025 0.000 2.259 1225 L HA 0.618 4.959 4.340 0.001 0.000 0.288 1225 L C 0.586 177.438 176.870 -0.030 0.000 1.051 1225 L CA -0.276 54.540 54.840 -0.041 0.000 0.824 1225 L CB 0.545 42.564 42.059 -0.067 0.000 1.206 1225 L HN 0.916 nan 8.230 nan 0.000 0.429 1226 G N 1.800 110.584 108.800 -0.027 0.000 2.781 1226 G HA2 -0.110 3.851 3.960 0.001 0.000 0.683 1226 G HA3 -0.110 3.851 3.960 0.001 0.000 0.683 1226 G C 0.033 174.915 174.900 -0.030 0.000 1.390 1226 G CA -0.046 45.039 45.100 -0.024 0.000 0.850 1226 G HN 0.697 nan 8.290 nan 0.000 0.557 1227 K N -0.935 119.447 120.400 -0.029 0.000 2.374 1227 K HA 0.633 4.953 4.320 0.001 0.000 0.202 1227 K C 2.511 179.083 176.600 -0.047 0.000 1.040 1227 K CA 1.598 57.861 56.287 -0.041 0.000 1.085 1227 K CB 0.135 32.621 32.500 -0.025 0.000 0.873 1227 K HN 2.031 nan 8.250 nan 0.000 0.539 1228 S N -0.308 115.372 115.700 -0.033 0.000 2.383 1228 S HA -0.009 4.461 4.470 0.001 0.000 0.227 1228 S C 2.397 176.973 174.600 -0.040 0.000 1.026 1228 S CA 1.392 59.575 58.200 -0.028 0.000 0.981 1228 S CB -0.544 62.647 63.200 -0.015 0.000 0.818 1228 S HN 0.579 nan 8.310 nan 0.000 0.472 1229 G N 1.891 110.666 108.800 -0.043 0.000 2.402 1229 G HA2 -0.022 3.939 3.960 0.001 0.000 0.216 1229 G HA3 -0.022 3.939 3.960 0.001 0.000 0.216 1229 G C 1.434 176.271 174.900 -0.104 0.000 1.162 1229 G CA 0.876 45.950 45.100 -0.043 0.000 0.777 1229 G HN 0.550 nan 8.290 nan 0.000 0.539 1230 I N 0.255 120.724 120.570 -0.168 0.000 2.163 1230 I HA -0.184 3.987 4.170 0.001 0.000 0.243 1230 I C 2.836 178.712 176.117 -0.402 0.000 1.085 1230 I CA 1.336 62.410 61.300 -0.377 0.000 1.347 1230 I CB -0.172 37.612 38.000 -0.360 0.000 1.044 1230 I HN 0.081 nan 8.210 nan 0.000 0.408 1231 R N 1.333 121.729 120.500 -0.175 0.000 2.083 1231 R HA -0.185 4.156 4.340 0.001 0.000 0.237 1231 R C 2.331 178.622 176.300 -0.015 0.000 1.137 1231 R CA 1.724 57.792 56.100 -0.054 0.000 0.951 1231 R CB -0.582 29.712 30.300 -0.010 0.000 0.851 1231 R HN 0.192 nan 8.270 nan 0.000 0.434 1232 R N -0.580 119.903 120.500 -0.028 0.000 2.081 1232 R HA -0.051 4.290 4.340 0.001 0.000 0.235 1232 R C 2.023 178.335 176.300 0.020 0.000 1.131 1232 R CA 1.484 57.587 56.100 0.004 0.000 0.960 1232 R CB -0.363 29.938 30.300 0.001 0.000 0.856 1232 R HN 0.337 nan 8.270 nan 0.000 0.436 1233 A N -0.098 122.708 122.820 -0.023 0.000 1.902 1233 A HA -0.168 4.153 4.320 0.001 0.000 0.217 1233 A C 1.732 179.409 177.584 0.155 0.000 1.181 1233 A CA 1.122 53.174 52.037 0.024 0.000 0.623 1233 A CB -0.616 18.354 19.000 -0.050 0.000 0.818 1233 A HN 0.390 nan 8.150 nan 0.000 0.443 1234 Y N 0.265 120.587 120.300 0.037 0.000 2.314 1234 Y HA -0.028 4.522 4.550 0.001 0.000 0.293 1234 Y C 2.455 178.363 175.900 0.013 0.000 1.129 1234 Y CA 0.773 58.885 58.100 0.020 0.000 1.201 1234 Y CB -0.390 38.076 38.460 0.010 0.000 0.999 1234 Y HN 0.352 nan 8.280 nan 0.000 0.541 1235 E N -0.729 119.572 120.200 0.168 0.000 2.076 1235 E HA -0.083 4.268 4.350 0.001 0.000 0.190 1235 E C 2.004 178.649 176.600 0.074 0.000 0.979 1235 E CA 1.845 58.302 56.400 0.096 0.000 0.807 1235 E CB -0.281 29.459 29.700 0.067 0.000 0.761 1235 E HN 0.543 nan 8.360 nan 0.000 0.454 1236 T N -4.259 110.341 114.554 0.077 0.000 2.985 1236 T HA 0.352 4.703 4.350 0.001 0.000 0.254 1236 T C 1.472 176.214 174.700 0.071 0.000 1.021 1236 T CA 0.822 62.959 62.100 0.062 0.000 0.957 1236 T CB 0.947 69.845 68.868 0.050 0.000 1.047 1236 T HN 0.222 nan 8.240 nan 0.000 0.511 1237 G N 1.569 110.427 108.800 0.097 0.000 2.217 1237 G HA2 -0.206 3.755 3.960 0.001 0.000 0.246 1237 G HA3 -0.206 3.755 3.960 0.001 0.000 0.246 1237 G C 0.089 175.050 174.900 0.101 0.000 0.990 1237 G CA -0.100 45.062 45.100 0.104 0.000 0.627 1237 G HN 0.729 nan 8.290 nan 0.000 0.522 1238 R N -0.274 120.275 120.500 0.082 0.000 2.628 1238 R HA 0.648 4.989 4.340 0.001 0.000 0.288 1238 R C -0.026 176.310 176.300 0.060 0.000 0.980 1238 R CA -0.008 56.136 56.100 0.073 0.000 0.891 1238 R CB 2.176 32.509 30.300 0.055 0.000 1.188 1238 R HN 0.919 nan 8.270 nan 0.000 0.450 1239 G N -0.089 108.750 108.800 0.064 0.000 2.411 1239 G HA2 0.216 4.177 3.960 0.001 0.000 0.295 1239 G HA3 0.216 4.177 3.960 0.001 0.000 0.295 1239 G C -1.687 173.254 174.900 0.068 0.000 1.542 1239 G CA -0.535 44.592 45.100 0.045 0.000 0.814 1239 G HN 0.345 nan 8.290 nan 0.000 0.557 1240 S N 0.009 115.739 115.700 0.050 0.000 2.429 1240 S HA 0.689 5.160 4.470 0.001 0.000 0.302 1240 S C -0.017 174.623 174.600 0.066 0.000 1.115 1240 S CA -0.662 57.577 58.200 0.065 0.000 1.095 1240 S CB 0.055 63.278 63.200 0.039 0.000 0.987 1240 S HN 0.456 nan 8.310 nan 0.000 0.474 1241 I N 4.836 125.480 120.570 0.123 0.000 2.362 1241 I HA 0.312 4.483 4.170 0.001 0.000 0.289 1241 I C -0.256 175.926 176.117 0.107 0.000 0.994 1241 I CA -0.809 60.553 61.300 0.103 0.000 1.158 1241 I CB 1.639 39.714 38.000 0.125 0.000 1.315 1241 I HN 0.430 nan 8.210 nan 0.000 0.451 1242 Q N 7.467 127.297 119.800 0.050 0.000 2.314 1242 Q HA 0.466 4.807 4.340 0.001 0.000 0.257 1242 Q C -0.591 175.417 176.000 0.014 0.000 0.975 1242 Q CA 0.036 55.852 55.803 0.022 0.000 0.933 1242 Q CB 1.723 30.451 28.738 -0.016 0.000 1.195 1242 Q HN 0.595 nan 8.270 nan 0.000 0.426 1243 M N 2.158 121.762 119.600 0.008 0.000 2.363 1243 M HA 0.487 4.967 4.480 0.001 0.000 0.343 1243 M C 0.095 176.365 176.300 -0.050 0.000 1.165 1243 M CA -0.279 55.011 55.300 -0.017 0.000 1.046 1243 M CB 1.826 34.377 32.600 -0.082 0.000 1.648 1243 M HN 0.265 nan 8.290 nan 0.000 0.452 1244 R N 0.277 120.746 120.500 -0.053 0.000 2.744 1244 R HA 0.540 4.880 4.340 0.001 0.000 0.279 1244 R C -0.844 175.471 176.300 0.026 0.000 0.977 1244 R CA -0.486 55.569 56.100 -0.076 0.000 0.906 1244 R CB 2.483 32.632 30.300 -0.251 0.000 1.197 1244 R HN 0.756 nan 8.270 nan 0.000 0.463 1245 S N 1.104 116.879 115.700 0.125 0.000 2.589 1245 S HA 0.120 4.591 4.470 0.001 0.000 0.265 1245 S C 0.035 174.713 174.600 0.130 0.000 1.342 1245 S CA -0.214 58.062 58.200 0.128 0.000 1.005 1245 S CB 0.591 63.883 63.200 0.153 0.000 0.909 1245 S HN 0.415 nan 8.310 nan 0.000 0.555 1246 R N 1.020 121.574 120.500 0.091 0.000 2.198 1246 R HA 0.538 4.879 4.340 0.001 0.000 0.339 1246 R C -0.856 175.490 176.300 0.077 0.000 1.020 1246 R CA -0.187 55.961 56.100 0.080 0.000 0.864 1246 R CB 0.008 30.341 30.300 0.055 0.000 1.105 1246 R HN 0.660 nan 8.270 nan 0.000 0.463 1247 A N 4.092 126.969 122.820 0.096 0.000 2.414 1247 A HA 0.610 4.931 4.320 0.001 0.000 0.306 1247 A C -0.950 176.664 177.584 0.050 0.000 1.054 1247 A CA -0.680 51.392 52.037 0.059 0.000 0.724 1247 A CB 1.663 20.685 19.000 0.037 0.000 1.267 1247 A HN 0.577 nan 8.150 nan 0.000 0.418 1248 V N -0.392 119.536 119.914 0.024 0.000 3.074 1248 V HA 0.824 4.944 4.120 0.001 0.000 0.314 1248 V C -0.612 175.485 176.094 0.004 0.000 1.117 1248 V CA -0.940 61.371 62.300 0.020 0.000 1.014 1248 V CB 1.693 33.527 31.823 0.018 0.000 1.057 1248 V HN 0.729 nan 8.190 nan 0.000 0.438 1249 I N 2.569 123.142 120.570 0.004 0.000 2.354 1249 I HA 0.629 4.800 4.170 0.001 0.000 0.292 1249 I C -0.107 176.009 176.117 -0.000 0.000 0.989 1249 I CA -0.126 61.172 61.300 -0.003 0.000 1.188 1249 I CB 1.562 39.560 38.000 -0.003 0.000 1.342 1249 I HN 1.033 nan 8.210 nan 0.000 0.457 1250 E N 5.788 125.986 120.200 -0.003 0.000 2.408 1250 E HA 0.403 4.754 4.350 0.001 0.000 0.275 1250 E C -1.388 175.210 176.600 -0.003 0.000 0.935 1250 E CA -1.055 55.344 56.400 -0.001 0.000 0.775 1250 E CB 1.629 31.328 29.700 -0.000 0.000 1.277 1250 E HN 0.574 nan 8.360 nan 0.000 0.455 1251 E N 1.527 121.726 120.200 -0.002 0.000 2.366 1251 E HA 0.173 4.523 4.350 0.001 0.000 0.266 1251 E C 0.244 176.842 176.600 -0.003 0.000 1.051 1251 E CA -0.605 55.793 56.400 -0.003 0.000 0.884 1251 E CB 1.112 30.811 29.700 -0.002 0.000 1.006 1251 E HN 0.734 nan 8.360 nan 0.000 0.417 1252 R N 1.529 122.027 120.500 -0.004 0.000 2.531 1252 R HA 0.389 4.730 4.340 0.001 0.000 0.316 1252 R C 0.198 176.496 176.300 -0.004 0.000 0.955 1252 R CA -0.019 56.079 56.100 -0.004 0.000 1.120 1252 R CB 0.797 31.094 30.300 -0.006 0.000 1.361 1252 R HN 0.694 nan 8.270 nan 0.000 0.534 1253 G N -0.368 108.430 108.800 -0.003 0.000 2.362 1253 G HA2 0.242 4.203 3.960 0.001 0.000 0.656 1253 G HA3 0.242 4.203 3.960 0.001 0.000 0.656 1253 G C 0.285 175.183 174.900 -0.003 0.000 1.376 1253 G CA -0.338 44.760 45.100 -0.003 0.000 0.971 1253 G HN 0.635 nan 8.290 nan 0.000 0.636 1254 G N -0.729 108.069 108.800 -0.003 0.000 2.467 1254 G HA2 0.301 4.262 3.960 0.001 0.000 0.302 1254 G HA3 0.301 4.262 3.960 0.001 0.000 0.302 1254 G C 2.231 177.130 174.900 -0.003 0.000 0.930 1254 G CA 1.709 46.808 45.100 -0.003 0.000 1.008 1254 G HN 2.942 nan 8.290 nan 0.000 0.512 1255 G N -1.950 106.848 108.800 -0.003 0.000 2.148 1255 G HA2 -0.308 3.652 3.960 0.001 0.000 0.254 1255 G HA3 -0.308 3.652 3.960 0.001 0.000 0.254 1255 G C 0.516 175.414 174.900 -0.004 0.000 0.981 1255 G CA 0.936 46.034 45.100 -0.003 0.000 0.670 1255 G HN 0.959 nan 8.290 nan 0.000 0.528 1256 R N -0.146 120.351 120.500 -0.004 0.000 2.500 1256 R HA 0.676 5.017 4.340 0.001 0.000 0.277 1256 R C 0.430 176.727 176.300 -0.006 0.000 1.026 1256 R CA -0.276 55.820 56.100 -0.006 0.000 1.058 1256 R CB 0.760 31.056 30.300 -0.006 0.000 1.078 1256 R HN 0.447 nan 8.270 nan 0.000 0.509 1257 Q N 0.922 120.717 119.800 -0.008 0.000 2.552 1257 Q HA 0.536 4.877 4.340 0.001 0.000 0.289 1257 Q C -0.942 175.050 176.000 -0.013 0.000 1.097 1257 Q CA -1.106 54.691 55.803 -0.009 0.000 0.812 1257 Q CB 2.924 31.656 28.738 -0.009 0.000 1.460 1257 Q HN 0.549 nan 8.270 nan 0.000 0.452 1258 R N -0.371 120.121 120.500 -0.014 0.000 2.680 1258 R HA 0.603 4.944 4.340 0.001 0.000 0.269 1258 R C -1.441 174.846 176.300 -0.021 0.000 1.026 1258 R CA -0.773 55.316 56.100 -0.018 0.000 0.889 1258 R CB 0.924 31.215 30.300 -0.015 0.000 1.241 1258 R HN 0.490 nan 8.270 nan 0.000 0.463 1259 I N 2.121 122.673 120.570 -0.030 0.000 2.336 1259 I HA 0.316 4.487 4.170 0.001 0.000 0.292 1259 I C -0.519 175.580 176.117 -0.030 0.000 0.991 1259 I CA -1.213 60.065 61.300 -0.037 0.000 1.227 1259 I CB 2.019 39.981 38.000 -0.064 0.000 1.366 1259 I HN 0.290 nan 8.210 nan 0.000 0.466 1260 V N 7.404 127.307 119.914 -0.019 0.000 2.378 1260 V HA 0.321 4.442 4.120 0.001 0.000 0.288 1260 V C -0.053 176.037 176.094 -0.005 0.000 1.016 1260 V CA -0.678 61.615 62.300 -0.012 0.000 0.840 1260 V CB 1.807 33.627 31.823 -0.004 0.000 0.994 1260 V HN 0.383 nan 8.190 nan 0.000 0.431 1261 V N 4.681 124.591 119.914 -0.007 0.000 2.370 1261 V HA 0.368 4.488 4.120 0.001 0.000 0.279 1261 V C 1.056 177.155 176.094 0.009 0.000 1.029 1261 V CA 0.213 62.516 62.300 0.004 0.000 0.870 1261 V CB 1.499 33.320 31.823 -0.003 0.000 0.984 1261 V HN 1.035 nan 8.190 nan 0.000 0.451 1262 T N 0.521 115.086 114.554 0.020 0.000 2.975 1262 T HA 0.369 4.719 4.350 0.001 0.000 0.257 1262 T C 0.264 174.980 174.700 0.027 0.000 1.003 1262 T CA -0.117 61.994 62.100 0.020 0.000 0.932 1262 T CB 0.305 69.186 68.868 0.020 0.000 1.087 1262 T HN 0.601 nan 8.240 nan 0.000 0.512 1263 E N 1.262 121.483 120.200 0.035 0.000 2.308 1263 E HA 0.627 4.977 4.350 0.001 0.000 0.275 1263 E C -0.937 175.689 176.600 0.043 0.000 0.890 1263 E CA -0.967 55.458 56.400 0.043 0.000 0.754 1263 E CB 2.763 32.493 29.700 0.050 0.000 1.207 1263 E HN 0.521 nan 8.360 nan 0.000 0.426 1264 I N -1.668 118.925 120.570 0.038 0.000 2.910 1264 I HA 0.716 4.887 4.170 0.001 0.000 0.310 1264 I C -2.675 173.455 176.117 0.022 0.000 1.043 1264 I CA -2.990 58.327 61.300 0.028 0.000 1.053 1264 I CB 1.720 39.724 38.000 0.007 0.000 1.242 1264 I HN 0.199 nan 8.210 nan 0.000 0.452 1265 P HA 0.102 nan 4.420 nan 0.000 0.272 1265 P C -0.768 176.507 177.300 -0.042 0.000 1.223 1265 P CA -0.026 63.044 63.100 -0.052 0.000 0.784 1265 P CB 0.242 31.911 31.700 -0.052 0.000 0.923 1266 F N 2.595 122.340 119.950 -0.341 0.000 2.608 1266 F HA -0.035 4.492 4.527 0.001 0.000 0.380 1266 F C 1.299 177.041 175.800 -0.096 0.000 1.083 1266 F CA 0.855 58.699 58.000 -0.260 0.000 1.266 1266 F CB -0.277 38.366 39.000 -0.595 0.000 1.076 1266 F HN 0.523 nan 8.300 nan 0.000 0.574 1267 Q N 1.053 120.511 119.800 -0.571 0.000 2.460 1267 Q HA -0.171 4.170 4.340 0.001 0.000 0.248 1267 Q C -0.737 175.134 176.000 -0.214 0.000 0.847 1267 Q CA 0.629 56.139 55.803 -0.488 0.000 1.214 1267 Q CB -1.822 26.551 28.738 -0.609 0.000 1.523 1267 Q HN 0.388 nan 8.270 nan 0.000 0.602 1268 V N 1.908 121.740 119.914 -0.138 0.000 2.407 1268 V HA 0.212 4.333 4.120 0.001 0.000 0.278 1268 V C 0.511 176.554 176.094 -0.084 0.000 1.037 1268 V CA -0.620 61.627 62.300 -0.089 0.000 0.900 1268 V CB 1.563 33.351 31.823 -0.058 0.000 0.983 1268 V HN 0.207 nan 8.190 nan 0.000 0.459 1269 N N 4.467 123.121 118.700 -0.077 0.000 2.420 1269 N HA 0.064 4.805 4.740 0.001 0.000 0.262 1269 N C 0.993 176.459 175.510 -0.073 0.000 1.144 1269 N CA 0.154 53.155 53.050 -0.082 0.000 0.952 1269 N CB 0.951 39.400 38.487 -0.063 0.000 1.081 1269 N HN 0.750 nan 8.380 nan 0.000 0.480 1270 K N 3.818 124.165 120.400 -0.088 0.000 2.032 1270 K HA -0.170 4.151 4.320 0.001 0.000 0.209 1270 K C 1.563 178.130 176.600 -0.055 0.000 1.048 1270 K CA 1.633 57.878 56.287 -0.069 0.000 0.927 1270 K CB -0.127 32.324 32.500 -0.082 0.000 0.712 1270 K HN 0.607 nan 8.250 nan 0.000 0.441 1271 A N 1.476 124.260 122.820 -0.059 0.000 1.902 1271 A HA -0.203 4.117 4.320 0.001 0.000 0.217 1271 A C 2.135 179.697 177.584 -0.036 0.000 1.181 1271 A CA 1.799 53.809 52.037 -0.045 0.000 0.623 1271 A CB -0.605 18.368 19.000 -0.044 0.000 0.818 1271 A HN 0.494 nan 8.150 nan 0.000 0.443 1272 R N -0.880 119.597 120.500 -0.038 0.000 2.092 1272 R HA -0.032 4.308 4.340 0.001 0.000 0.231 1272 R C 2.156 178.439 176.300 -0.028 0.000 1.119 1272 R CA 1.667 57.748 56.100 -0.031 0.000 0.970 1272 R CB -0.339 29.942 30.300 -0.032 0.000 0.864 1272 R HN 0.555 nan 8.270 nan 0.000 0.440 1273 M N 0.251 119.832 119.600 -0.031 0.000 2.132 1273 M HA -0.097 4.384 4.480 0.001 0.000 0.263 1273 M C 1.836 178.121 176.300 -0.025 0.000 1.065 1273 M CA 1.623 56.908 55.300 -0.025 0.000 1.122 1273 M CB 0.025 32.610 32.600 -0.025 0.000 1.365 1273 M HN 0.255 nan 8.290 nan 0.000 0.411 1274 I N 0.203 120.757 120.570 -0.028 0.000 2.252 1274 I HA -0.294 3.877 4.170 0.001 0.000 0.245 1274 I C 2.430 178.532 176.117 -0.023 0.000 1.102 1274 I CA 1.633 62.917 61.300 -0.027 0.000 1.385 1274 I CB -0.617 37.366 38.000 -0.028 0.000 1.064 1274 I HN 0.465 nan 8.210 nan 0.000 0.414 1275 E N 1.613 121.800 120.200 -0.022 0.000 2.110 1275 E HA -0.317 4.033 4.350 0.001 0.000 0.193 1275 E C 2.124 178.714 176.600 -0.017 0.000 0.988 1275 E CA 1.466 57.855 56.400 -0.019 0.000 0.804 1275 E CB 0.053 29.742 29.700 -0.018 0.000 0.745 1275 E HN 0.181 nan 8.360 nan 0.000 0.458 1276 K N 1.024 121.414 120.400 -0.018 0.000 2.057 1276 K HA -0.087 4.234 4.320 0.001 0.000 0.206 1276 K C 1.954 178.544 176.600 -0.016 0.000 1.050 1276 K CA 1.508 57.786 56.287 -0.015 0.000 0.935 1276 K CB -0.342 32.150 32.500 -0.014 0.000 0.715 1276 K HN 0.264 nan 8.250 nan 0.000 0.439 1277 I N 0.468 121.026 120.570 -0.020 0.000 2.179 1277 I HA -0.240 3.930 4.170 0.001 0.000 0.242 1277 I C 2.283 178.388 176.117 -0.021 0.000 1.088 1277 I CA 1.214 62.500 61.300 -0.024 0.000 1.357 1277 I CB -0.502 37.480 38.000 -0.031 0.000 1.051 1277 I HN 0.235 nan 8.210 nan 0.000 0.409 1278 A N 0.418 123.227 122.820 -0.020 0.000 1.978 1278 A HA -0.278 4.043 4.320 0.001 0.000 0.220 1278 A C 2.333 179.908 177.584 -0.015 0.000 1.170 1278 A CA 2.063 54.090 52.037 -0.017 0.000 0.636 1278 A CB -0.653 18.337 19.000 -0.016 0.000 0.810 1278 A HN 0.566 nan 8.150 nan 0.000 0.448 1279 E N -0.114 120.078 120.200 -0.014 0.000 2.107 1279 E HA -0.125 4.226 4.350 0.001 0.000 0.191 1279 E C 1.880 178.474 176.600 -0.011 0.000 0.982 1279 E CA 0.921 57.314 56.400 -0.011 0.000 0.809 1279 E CB -0.206 29.487 29.700 -0.010 0.000 0.756 1279 E HN 0.631 nan 8.360 nan 0.000 0.459 1280 L N 0.432 121.648 121.223 -0.012 0.000 2.093 1280 L HA -0.137 4.203 4.340 0.001 0.000 0.208 1280 L C 2.534 179.397 176.870 -0.012 0.000 1.085 1280 L CA 0.571 55.404 54.840 -0.012 0.000 0.755 1280 L CB -0.264 41.787 42.059 -0.013 0.000 0.904 1280 L HN 0.092 nan 8.230 nan 0.000 0.435 1281 V N -0.099 119.806 119.914 -0.015 0.000 2.307 1281 V HA -0.282 3.839 4.120 0.001 0.000 0.245 1281 V C 2.672 178.759 176.094 -0.011 0.000 1.045 1281 V CA 1.893 64.185 62.300 -0.014 0.000 1.024 1281 V CB -0.631 31.182 31.823 -0.016 0.000 0.651 1281 V HN 0.445 nan 8.190 nan 0.000 0.449 1282 R N 0.227 120.720 120.500 -0.011 0.000 2.081 1282 R HA -0.187 4.154 4.340 0.001 0.000 0.235 1282 R C 1.690 177.986 176.300 -0.008 0.000 1.131 1282 R CA 2.056 58.151 56.100 -0.009 0.000 0.960 1282 R CB -0.282 30.012 30.300 -0.009 0.000 0.856 1282 R HN 0.481 nan 8.270 nan 0.000 0.436 1283 D N 0.371 120.767 120.400 -0.007 0.000 2.349 1283 D HA -0.006 4.635 4.640 0.001 0.000 0.224 1283 D C -0.016 176.281 176.300 -0.006 0.000 1.029 1283 D CA 0.492 54.488 54.000 -0.006 0.000 0.879 1283 D CB 0.210 41.007 40.800 -0.006 0.000 0.906 1283 D HN 0.203 nan 8.370 nan 0.000 0.528 1284 K N -0.579 119.817 120.400 -0.007 0.000 3.129 1284 K HA -0.222 4.099 4.320 0.001 0.000 0.273 1284 K C 0.734 177.330 176.600 -0.006 0.000 1.123 1284 K CA 0.357 56.640 56.287 -0.007 0.000 0.800 1284 K CB -0.879 31.617 32.500 -0.006 0.000 1.238 1284 K HN -0.003 nan 8.250 nan 0.000 0.492 1285 K N 0.396 120.792 120.400 -0.007 0.000 2.400 1285 K HA 0.280 4.601 4.320 0.001 0.000 0.194 1285 K C 0.659 177.255 176.600 -0.007 0.000 1.033 1285 K CA 0.452 56.735 56.287 -0.006 0.000 1.021 1285 K CB 0.515 33.012 32.500 -0.005 0.000 0.808 1285 K HN 0.418 nan 8.250 nan 0.000 0.505 1286 I N 0.067 120.631 120.570 -0.010 0.000 2.582 1286 I HA 0.207 4.377 4.170 0.001 0.000 0.292 1286 I C -1.678 174.430 176.117 -0.014 0.000 1.066 1286 I CA -1.029 60.263 61.300 -0.014 0.000 1.053 1286 I CB 2.000 39.989 38.000 -0.019 0.000 1.241 1286 I HN -0.112 nan 8.210 nan 0.000 0.421 1287 D N 4.129 124.521 120.400 -0.014 0.000 2.198 1287 D HA 0.673 5.314 4.640 0.001 0.000 0.247 1287 D C 0.588 176.878 176.300 -0.016 0.000 1.010 1287 D CA 0.776 54.769 54.000 -0.013 0.000 0.880 1287 D CB 1.780 42.574 40.800 -0.010 0.000 1.209 1287 D HN 0.826 nan 8.370 nan 0.000 0.451 1288 G N 2.230 111.020 108.800 -0.015 0.000 2.179 1288 G HA2 -0.188 3.773 3.960 0.001 0.000 0.220 1288 G HA3 -0.188 3.773 3.960 0.001 0.000 0.220 1288 G C 0.208 175.096 174.900 -0.020 0.000 0.990 1288 G CA -0.003 45.087 45.100 -0.017 0.000 0.646 1288 G HN 0.506 nan 8.290 nan 0.000 0.517 1289 I N 2.259 122.816 120.570 -0.021 0.000 2.315 1289 I HA 0.372 4.543 4.170 0.001 0.000 0.291 1289 I C 1.638 177.744 176.117 -0.018 0.000 1.006 1289 I CA 0.295 61.582 61.300 -0.023 0.000 1.265 1289 I CB 1.621 39.605 38.000 -0.027 0.000 1.387 1289 I HN 0.217 nan 8.210 nan 0.000 0.475 1290 T N -0.383 114.161 114.554 -0.017 0.000 3.001 1290 T HA 0.205 4.556 4.350 0.001 0.000 0.251 1290 T C 0.148 174.840 174.700 -0.014 0.000 1.040 1290 T CA -0.043 62.048 62.100 -0.014 0.000 0.985 1290 T CB 0.273 69.134 68.868 -0.012 0.000 1.011 1290 T HN 0.522 nan 8.240 nan 0.000 0.509 1291 D N -0.369 120.021 120.400 -0.016 0.000 2.663 1291 D HA 0.563 5.203 4.640 0.001 0.000 0.233 1291 D C -2.283 174.006 176.300 -0.019 0.000 1.240 1291 D CA -0.662 53.328 54.000 -0.016 0.000 0.774 1291 D CB 2.183 42.974 40.800 -0.014 0.000 1.443 1291 D HN 0.148 nan 8.370 nan 0.000 0.441 1292 L N 2.257 123.469 121.223 -0.018 0.000 2.482 1292 L HA 0.622 4.963 4.340 0.001 0.000 0.269 1292 L C -1.519 175.340 176.870 -0.019 0.000 0.967 1292 L CA -0.135 54.692 54.840 -0.021 0.000 0.851 1292 L CB 1.359 43.404 42.059 -0.022 0.000 1.242 1292 L HN 0.471 nan 8.230 nan 0.000 0.404 1293 R N 2.746 123.234 120.500 -0.019 0.000 2.621 1293 R HA 0.420 4.761 4.340 0.001 0.000 0.284 1293 R C -1.533 174.757 176.300 -0.018 0.000 0.998 1293 R CA -0.981 55.109 56.100 -0.017 0.000 0.895 1293 R CB 2.123 32.414 30.300 -0.014 0.000 1.195 1293 R HN 0.496 nan 8.270 nan 0.000 0.450 1294 D N 2.301 122.690 120.400 -0.018 0.000 2.411 1294 D HA 0.066 4.707 4.640 0.001 0.000 0.225 1294 D C -0.071 176.220 176.300 -0.015 0.000 1.156 1294 D CA -0.069 53.920 54.000 -0.019 0.000 0.874 1294 D CB 0.888 41.675 40.800 -0.023 0.000 1.034 1294 D HN 0.502 nan 8.370 nan 0.000 0.502 1295 E N 1.731 121.923 120.200 -0.013 0.000 2.419 1295 E HA 0.065 4.416 4.350 0.001 0.000 0.190 1295 E C 0.053 176.649 176.600 -0.008 0.000 1.040 1295 E CA -0.084 56.310 56.400 -0.009 0.000 0.900 1295 E CB 0.423 30.119 29.700 -0.007 0.000 1.054 1295 E HN 0.359 nan 8.360 nan 0.000 0.462 1296 T N 1.648 116.196 114.554 -0.011 0.000 2.928 1296 T HA 0.131 4.482 4.350 0.001 0.000 0.305 1296 T C 0.195 174.892 174.700 -0.006 0.000 1.035 1296 T CA 0.112 62.207 62.100 -0.009 0.000 1.145 1296 T CB 0.782 69.640 68.868 -0.017 0.000 0.963 1296 T HN 0.173 nan 8.240 nan 0.000 0.545 1297 S N 2.359 118.059 115.700 0.000 0.000 2.579 1297 S HA 0.430 4.900 4.470 0.001 0.000 0.272 1297 S C 0.436 175.042 174.600 0.011 0.000 1.141 1297 S CA -0.973 57.229 58.200 0.004 0.000 0.843 1297 S CB 1.223 64.426 63.200 0.004 0.000 1.122 1297 S HN 0.393 nan 8.310 nan 0.000 0.468 1298 L N 1.219 122.450 121.223 0.014 0.000 2.275 1298 L HA 0.248 4.589 4.340 0.001 0.000 0.215 1298 L C 2.239 179.123 176.870 0.022 0.000 1.119 1298 L CA 1.634 56.488 54.840 0.023 0.000 0.790 1298 L CB -0.564 41.510 42.059 0.025 0.000 0.919 1298 L HN 0.817 nan 8.230 nan 0.000 0.443 1299 R N -2.174 118.336 120.500 0.017 0.000 2.282 1299 R HA 0.133 4.474 4.340 0.001 0.000 0.195 1299 R C 1.544 177.852 176.300 0.014 0.000 0.909 1299 R CA 0.965 57.074 56.100 0.015 0.000 1.039 1299 R CB 0.062 30.370 30.300 0.012 0.000 1.015 1299 R HN 0.492 nan 8.270 nan 0.000 0.513 1300 T N -3.018 111.543 114.554 0.012 0.000 3.003 1300 T HA 0.346 4.696 4.350 0.001 0.000 0.261 1300 T C 0.926 175.633 174.700 0.012 0.000 1.003 1300 T CA 0.192 62.298 62.100 0.011 0.000 0.917 1300 T CB 0.848 69.720 68.868 0.007 0.000 1.084 1300 T HN 0.318 nan 8.240 nan 0.000 0.522 1301 G N 1.292 110.101 108.800 0.015 0.000 2.725 1301 G HA2 -0.116 3.845 3.960 0.001 0.000 0.220 1301 G HA3 -0.116 3.845 3.960 0.001 0.000 0.220 1301 G C -0.522 174.385 174.900 0.011 0.000 1.357 1301 G CA -0.627 44.484 45.100 0.017 0.000 0.866 1301 G HN 0.774 nan 8.290 nan 0.000 0.548 1302 V N 1.227 121.148 119.914 0.012 0.000 2.529 1302 V HA 0.471 4.592 4.120 0.001 0.000 0.292 1302 V C 1.001 177.097 176.094 0.003 0.000 1.028 1302 V CA 1.315 63.617 62.300 0.003 0.000 1.074 1302 V CB 1.032 32.858 31.823 0.005 0.000 0.958 1302 V HN 0.900 nan 8.190 nan 0.000 0.481 1303 R N 4.015 124.513 120.500 -0.003 0.000 2.695 1303 R HA 0.513 4.854 4.340 0.001 0.000 0.288 1303 R C -2.048 174.246 176.300 -0.009 0.000 1.344 1303 R CA -0.376 55.722 56.100 -0.003 0.000 1.005 1303 R CB 1.759 32.058 30.300 -0.001 0.000 1.233 1303 R HN 0.524 nan 8.270 nan 0.000 0.442 1304 V N 5.022 124.929 119.914 -0.011 0.000 2.370 1304 V HA 0.413 4.534 4.120 0.001 0.000 0.283 1304 V C -0.143 175.940 176.094 -0.018 0.000 1.023 1304 V CA -0.706 61.584 62.300 -0.017 0.000 0.857 1304 V CB 1.770 33.581 31.823 -0.020 0.000 0.985 1304 V HN 0.416 nan 8.190 nan 0.000 0.443 1305 V N 6.716 126.619 119.914 -0.019 0.000 2.398 1305 V HA 0.508 4.629 4.120 0.001 0.000 0.286 1305 V C -0.177 175.902 176.094 -0.025 0.000 1.026 1305 V CA -0.381 61.908 62.300 -0.020 0.000 0.868 1305 V CB 1.718 33.532 31.823 -0.015 0.000 0.982 1305 V HN 0.702 nan 8.190 nan 0.000 0.443 1306 I N 3.993 124.545 120.570 -0.030 0.000 2.405 1306 I HA 0.343 4.514 4.170 0.001 0.000 0.280 1306 I C -0.462 175.637 176.117 -0.030 0.000 1.027 1306 I CA -0.504 60.775 61.300 -0.034 0.000 1.161 1306 I CB 1.235 39.206 38.000 -0.048 0.000 1.300 1306 I HN 0.484 nan 8.210 nan 0.000 0.463 1307 D N 5.455 125.841 120.400 -0.024 0.000 2.389 1307 D HA 0.225 4.866 4.640 0.001 0.000 0.247 1307 D C -0.183 176.104 176.300 -0.022 0.000 1.128 1307 D CA 0.147 54.135 54.000 -0.020 0.000 0.884 1307 D CB 1.982 42.772 40.800 -0.016 0.000 1.194 1307 D HN 0.048 nan 8.370 nan 0.000 0.441 1308 V N 2.821 122.723 119.914 -0.020 0.000 2.513 1308 V HA 0.255 4.376 4.120 0.001 0.000 0.299 1308 V C 0.640 176.725 176.094 -0.015 0.000 1.035 1308 V CA -0.936 61.352 62.300 -0.020 0.000 0.889 1308 V CB 1.774 33.584 31.823 -0.021 0.000 0.988 1308 V HN 0.438 nan 8.190 nan 0.000 0.440 1309 R N 3.653 124.144 120.500 -0.014 0.000 2.585 1309 R HA 0.046 4.387 4.340 0.001 0.000 0.275 1309 R C 0.401 176.695 176.300 -0.010 0.000 1.018 1309 R CA -0.124 55.970 56.100 -0.011 0.000 1.072 1309 R CB 0.322 30.616 30.300 -0.011 0.000 0.953 1309 R HN 0.717 nan 8.270 nan 0.000 0.419 1310 K N 3.283 123.678 120.400 -0.008 0.000 2.511 1310 K HA -0.187 4.133 4.320 0.001 0.000 0.280 1310 K C -0.440 176.157 176.600 -0.006 0.000 1.008 1310 K CA 0.951 57.234 56.287 -0.007 0.000 1.050 1310 K CB 0.311 32.807 32.500 -0.005 0.000 0.889 1310 K HN 0.785 nan 8.250 nan 0.000 0.484 1311 D N -0.200 120.196 120.400 -0.005 0.000 2.946 1311 D HA -0.196 4.444 4.640 0.001 0.000 0.202 1311 D C -0.483 175.814 176.300 -0.005 0.000 1.068 1311 D CA 1.479 55.477 54.000 -0.004 0.000 1.011 1311 D CB -1.181 39.617 40.800 -0.004 0.000 1.105 1311 D HN 0.646 nan 8.370 nan 0.000 0.425 1312 A N 0.410 123.226 122.820 -0.007 0.000 2.322 1312 A HA 0.413 4.733 4.320 0.001 0.000 0.269 1312 A C 0.589 178.168 177.584 -0.008 0.000 1.094 1312 A CA -0.228 51.804 52.037 -0.008 0.000 0.807 1312 A CB 0.622 19.616 19.000 -0.010 0.000 1.047 1312 A HN 0.111 nan 8.150 nan 0.000 0.487 1313 N N 1.553 120.249 118.700 -0.007 0.000 2.405 1313 N HA 0.238 4.979 4.740 0.001 0.000 0.260 1313 N C 0.981 176.484 175.510 -0.012 0.000 1.152 1313 N CA 0.532 53.578 53.050 -0.007 0.000 0.948 1313 N CB 1.236 39.721 38.487 -0.003 0.000 1.111 1313 N HN 0.599 nan 8.380 nan 0.000 0.485 1314 A N 3.158 125.970 122.820 -0.013 0.000 1.969 1314 A HA -0.083 4.238 4.320 0.001 0.000 0.218 1314 A C 2.152 179.721 177.584 -0.026 0.000 1.169 1314 A CA 1.235 53.259 52.037 -0.022 0.000 0.635 1314 A CB -0.197 18.791 19.000 -0.020 0.000 0.810 1314 A HN 0.676 nan 8.150 nan 0.000 0.445 1315 S N -0.451 115.242 115.700 -0.012 0.000 2.383 1315 S HA -0.104 4.367 4.470 0.001 0.000 0.227 1315 S C 1.867 176.465 174.600 -0.003 0.000 1.026 1315 S CA 1.316 59.515 58.200 -0.002 0.000 0.981 1315 S CB -0.338 62.869 63.200 0.013 0.000 0.818 1315 S HN 0.348 nan 8.310 nan 0.000 0.472 1316 V N 2.220 122.131 119.914 -0.004 0.000 2.343 1316 V HA -0.149 3.972 4.120 0.001 0.000 0.247 1316 V C 2.036 178.120 176.094 -0.018 0.000 1.051 1316 V CA 1.488 63.787 62.300 -0.002 0.000 1.036 1316 V CB -0.633 31.189 31.823 -0.001 0.000 0.654 1316 V HN 0.460 nan 8.190 nan 0.000 0.451 1317 I N -0.481 120.070 120.570 -0.032 0.000 2.286 1317 I HA -0.243 3.928 4.170 0.001 0.000 0.248 1317 I C 2.395 178.456 176.117 -0.094 0.000 1.115 1317 I CA 1.307 62.576 61.300 -0.051 0.000 1.392 1317 I CB -0.402 37.569 38.000 -0.048 0.000 1.065 1317 I HN 0.323 nan 8.210 nan 0.000 0.418 1318 L N 1.273 122.425 121.223 -0.119 0.000 2.017 1318 L HA -0.180 4.160 4.340 0.001 0.000 0.208 1318 L C 2.136 178.829 176.870 -0.296 0.000 1.073 1318 L CA 1.938 56.627 54.840 -0.252 0.000 0.745 1318 L CB -0.998 40.937 42.059 -0.208 0.000 0.894 1318 L HN 0.177 nan 8.230 nan 0.000 0.432 1319 N N 0.365 119.028 118.700 -0.062 0.000 2.149 1319 N HA -0.181 4.560 4.740 0.001 0.000 0.188 1319 N C 1.573 177.121 175.510 0.063 0.000 1.019 1319 N CA 1.377 54.485 53.050 0.096 0.000 0.857 1319 N CB -0.588 37.961 38.487 0.104 0.000 0.997 1319 N HN 0.468 nan 8.380 nan 0.000 0.426 1320 N N 0.864 119.562 118.700 -0.004 0.000 2.188 1320 N HA -0.014 4.727 4.740 0.001 0.000 0.184 1320 N C 1.898 177.398 175.510 -0.016 0.000 1.018 1320 N CA 0.389 53.439 53.050 -0.001 0.000 0.858 1320 N CB -0.342 38.137 38.487 -0.014 0.000 0.989 1320 N HN 0.270 nan 8.380 nan 0.000 0.426 1321 L N -0.167 121.003 121.223 -0.088 0.000 2.083 1321 L HA -0.179 4.162 4.340 0.001 0.000 0.209 1321 L C 1.988 178.836 176.870 -0.036 0.000 1.083 1321 L CA 1.064 55.838 54.840 -0.110 0.000 0.752 1321 L CB -0.495 41.436 42.059 -0.212 0.000 0.899 1321 L HN 0.121 nan 8.230 nan 0.000 0.433 1322 Y N 0.436 120.734 120.300 -0.003 0.000 2.224 1322 Y HA -0.210 4.341 4.550 0.001 0.000 0.289 1322 Y C 2.517 178.415 175.900 -0.002 0.000 1.146 1322 Y CA 0.966 59.064 58.100 -0.002 0.000 1.182 1322 Y CB -0.474 37.986 38.460 0.000 0.000 0.983 1322 Y HN 0.116 nan 8.280 nan 0.000 0.524 1323 K N -0.389 120.102 120.400 0.152 0.000 2.116 1323 K HA -0.097 4.224 4.320 0.001 0.000 0.203 1323 K C 1.514 178.146 176.600 0.053 0.000 1.052 1323 K CA 1.316 57.654 56.287 0.085 0.000 0.952 1323 K CB -0.086 32.451 32.500 0.061 0.000 0.729 1323 K HN 0.396 nan 8.250 nan 0.000 0.446 1324 Q N 0.108 119.932 119.800 0.040 0.000 2.247 1324 Q HA 0.045 4.386 4.340 0.001 0.000 0.211 1324 Q C 0.025 176.035 176.000 0.016 0.000 0.861 1324 Q CA 0.160 55.975 55.803 0.021 0.000 0.949 1324 Q CB 1.392 30.135 28.738 0.008 0.000 1.115 1324 Q HN 0.231 nan 8.270 nan 0.000 0.507 1325 T N -3.922 110.647 114.554 0.026 0.000 2.865 1325 T HA 0.359 4.710 4.350 0.001 0.000 0.294 1325 T C -2.613 172.108 174.700 0.034 0.000 1.119 1325 T CA -2.115 59.995 62.100 0.017 0.000 1.007 1325 T CB 1.809 70.678 68.868 0.001 0.000 1.225 1325 T HN -0.337 nan 8.240 nan 0.000 0.515 1326 P HA 0.127 nan 4.420 nan 0.000 0.244 1326 P C 1.318 178.646 177.300 0.047 0.000 1.211 1326 P CA -0.088 63.025 63.100 0.022 0.000 0.760 1326 P CB -0.140 31.558 31.700 -0.003 0.000 0.961 1327 L N -0.706 120.562 121.223 0.075 0.000 2.187 1327 L HA -0.106 4.234 4.340 0.001 0.000 0.213 1327 L C 1.031 178.046 176.870 0.241 0.000 1.100 1327 L CA 1.741 56.660 54.840 0.132 0.000 0.765 1327 L CB -0.520 41.588 42.059 0.082 0.000 0.904 1327 L HN 0.032 nan 8.230 nan 0.000 0.437 1328 Q N -0.851 119.075 119.800 0.209 0.000 2.330 1328 Q HA 0.436 4.777 4.340 0.001 0.000 0.269 1328 Q C -1.372 174.653 176.000 0.042 0.000 1.022 1328 Q CA -0.455 55.404 55.803 0.094 0.000 0.796 1328 Q CB 1.515 30.280 28.738 0.045 0.000 1.271 1328 Q HN 0.093 nan 8.270 nan 0.000 0.450 1329 T N 1.809 116.369 114.554 0.010 0.000 2.916 1329 T HA 0.414 4.764 4.350 0.001 0.000 0.305 1329 T C -1.009 173.699 174.700 0.013 0.000 1.119 1329 T CA -0.766 61.337 62.100 0.005 0.000 1.008 1329 T CB 1.614 70.477 68.868 -0.009 0.000 1.129 1329 T HN 0.669 nan 8.240 nan 0.000 0.480 1330 S N 1.426 117.139 115.700 0.022 0.000 2.578 1330 S HA 0.758 5.229 4.470 0.001 0.000 0.283 1330 S C -0.832 173.825 174.600 0.095 0.000 1.195 1330 S CA -0.816 57.418 58.200 0.056 0.000 1.050 1330 S CB 0.847 64.068 63.200 0.034 0.000 1.012 1330 S HN 0.617 nan 8.310 nan 0.000 0.511 1331 F N 1.865 121.826 119.950 0.018 0.000 2.375 1331 F HA 0.590 5.118 4.527 0.001 0.000 0.361 1331 F C 0.574 176.410 175.800 0.060 0.000 1.117 1331 F CA -0.539 57.495 58.000 0.057 0.000 1.037 1331 F CB 0.696 39.775 39.000 0.133 0.000 1.192 1331 F HN 0.874 nan 8.300 nan 0.000 0.452 1332 G N 6.323 115.036 108.800 -0.144 0.000 2.444 1332 G HA2 0.409 4.370 3.960 0.001 0.000 0.303 1332 G HA3 0.409 4.370 3.960 0.001 0.000 0.303 1332 G C -0.594 174.310 174.900 0.008 0.000 1.032 1332 G CA -0.406 44.673 45.100 -0.034 0.000 1.137 1332 G HN 0.529 nan 8.290 nan 0.000 0.430 1333 V N 2.906 122.967 119.914 0.246 0.000 2.655 1333 V HA 0.153 4.274 4.120 0.001 0.000 0.300 1333 V C 0.684 176.871 176.094 0.155 0.000 1.044 1333 V CA -0.141 62.343 62.300 0.306 0.000 1.095 1333 V CB 1.075 33.072 31.823 0.290 0.000 0.952 1333 V HN 0.840 nan 8.190 nan 0.000 0.485 1334 N N 4.764 123.552 118.700 0.147 0.000 2.751 1334 N HA 0.261 5.002 4.740 0.001 0.000 0.238 1334 N C -0.672 174.901 175.510 0.105 0.000 1.351 1334 N CA -0.524 52.582 53.050 0.094 0.000 0.751 1334 N CB 0.596 39.114 38.487 0.050 0.000 1.342 1334 N HN 0.651 nan 8.380 nan 0.000 0.540 1335 M N 3.964 123.633 119.600 0.114 0.000 3.011 1335 M HA 0.280 4.761 4.480 0.001 0.000 0.292 1335 M C -0.409 175.931 176.300 0.068 0.000 1.440 1335 M CA 0.341 55.705 55.300 0.106 0.000 1.552 1335 M CB -0.298 32.375 32.600 0.121 0.000 1.187 1335 M HN 0.294 nan 8.290 nan 0.000 0.520 1336 I N 2.105 122.708 120.570 0.056 0.000 2.378 1336 I HA 0.692 4.862 4.170 0.001 0.000 0.291 1336 I C -0.048 176.079 176.117 0.017 0.000 0.992 1336 I CA -0.492 60.827 61.300 0.031 0.000 1.154 1336 I CB 1.635 39.651 38.000 0.028 0.000 1.315 1336 I HN 0.613 nan 8.210 nan 0.000 0.448 1337 A N 6.676 129.492 122.820 -0.007 0.000 2.569 1337 A HA 0.776 5.096 4.320 0.001 0.000 0.290 1337 A C -1.095 176.451 177.584 -0.064 0.000 1.136 1337 A CA -0.667 51.352 52.037 -0.029 0.000 0.710 1337 A CB 1.396 20.376 19.000 -0.033 0.000 1.303 1337 A HN 0.614 nan 8.150 nan 0.000 0.413 1338 L N 1.086 122.260 121.223 -0.080 0.000 2.313 1338 L HA 0.443 4.784 4.340 0.001 0.000 0.282 1338 L C -0.869 175.896 176.870 -0.176 0.000 1.092 1338 L CA -0.443 54.329 54.840 -0.113 0.000 0.831 1338 L CB 0.937 42.942 42.059 -0.090 0.000 1.159 1338 L HN 0.367 nan 8.230 nan 0.000 0.442 1339 V N 3.944 123.726 119.914 -0.220 0.000 2.407 1339 V HA 0.285 4.406 4.120 0.001 0.000 0.291 1339 V C -0.003 175.927 176.094 -0.273 0.000 1.018 1339 V CA -0.697 61.408 62.300 -0.326 0.000 0.842 1339 V CB 1.287 32.874 31.823 -0.394 0.000 0.996 1339 V HN 0.885 nan 8.190 nan 0.000 0.426 1340 N N 3.961 122.515 118.700 -0.244 0.000 2.735 1340 N HA -0.199 4.542 4.740 0.001 0.000 0.248 1340 N C 1.182 176.572 175.510 -0.200 0.000 1.083 1340 N CA 1.566 54.503 53.050 -0.188 0.000 0.703 1340 N CB -1.138 37.248 38.487 -0.168 0.000 1.005 1340 N HN 1.546 nan 8.380 nan 0.000 0.550 1341 G N -1.134 107.557 108.800 -0.181 0.000 2.155 1341 G HA2 -0.370 3.590 3.960 0.001 0.000 0.257 1341 G HA3 -0.370 3.590 3.960 0.001 0.000 0.257 1341 G C 0.065 174.814 174.900 -0.252 0.000 0.983 1341 G CA 0.850 45.859 45.100 -0.153 0.000 0.676 1341 G HN 0.635 nan 8.290 nan 0.000 0.528 1342 R N 0.341 120.639 120.500 -0.337 0.000 2.686 1342 R HA 0.504 4.845 4.340 0.001 0.000 0.286 1342 R C -2.755 173.424 176.300 -0.202 0.000 0.969 1342 R CA -2.123 53.718 56.100 -0.433 0.000 0.898 1342 R CB 2.467 32.349 30.300 -0.696 0.000 1.183 1342 R HN 0.069 nan 8.270 nan 0.000 0.456 1343 P HA 0.068 nan 4.420 nan 0.000 0.271 1343 P C -1.188 176.081 177.300 -0.051 0.000 1.220 1343 P CA 0.030 63.102 63.100 -0.045 0.000 0.768 1343 P CB 0.934 32.640 31.700 0.009 0.000 0.848 1344 K N 3.040 123.413 120.400 -0.044 0.000 2.525 1344 K HA 0.349 4.670 4.320 0.001 0.000 0.254 1344 K C -1.298 175.300 176.600 -0.003 0.000 0.934 1344 K CA -1.044 55.225 56.287 -0.030 0.000 0.802 1344 K CB 1.686 34.154 32.500 -0.053 0.000 1.295 1344 K HN 0.240 nan 8.250 nan 0.000 0.433 1345 L N 6.738 127.969 121.223 0.013 0.000 2.361 1345 L HA 0.404 4.745 4.340 0.001 0.000 0.278 1345 L C -0.626 176.266 176.870 0.036 0.000 1.113 1345 L CA 0.215 55.073 54.840 0.030 0.000 0.849 1345 L CB 0.220 42.300 42.059 0.034 0.000 1.155 1345 L HN 0.552 nan 8.230 nan 0.000 0.452 1346 I N 2.030 122.627 120.570 0.046 0.000 2.785 1346 I HA 0.651 4.822 4.170 0.001 0.000 0.302 1346 I C -0.633 175.520 176.117 0.060 0.000 1.069 1346 I CA -1.019 60.314 61.300 0.054 0.000 1.045 1346 I CB 2.022 40.062 38.000 0.066 0.000 1.236 1346 I HN 0.687 nan 8.210 nan 0.000 0.429 1347 N N 3.506 122.237 118.700 0.051 0.000 2.448 1347 N HA 0.226 4.966 4.740 0.001 0.000 0.274 1347 N C 0.526 176.045 175.510 0.015 0.000 1.239 1347 N CA -0.849 52.233 53.050 0.055 0.000 0.982 1347 N CB 0.698 39.215 38.487 0.049 0.000 1.199 1347 N HN 0.822 nan 8.380 nan 0.000 0.576 1348 L N -0.248 120.969 121.223 -0.011 0.000 2.013 1348 L HA -0.128 4.213 4.340 0.001 0.000 0.212 1348 L C 2.170 178.951 176.870 -0.147 0.000 1.073 1348 L CA 1.957 56.697 54.840 -0.168 0.000 0.753 1348 L CB -0.813 41.007 42.059 -0.399 0.000 0.890 1348 L HN 0.841 nan 8.230 nan 0.000 0.432 1349 K N -0.581 119.760 120.400 -0.097 0.000 2.026 1349 K HA -0.208 4.113 4.320 0.001 0.000 0.208 1349 K C 1.924 178.475 176.600 -0.083 0.000 1.048 1349 K CA 1.843 58.076 56.287 -0.089 0.000 0.929 1349 K CB -0.161 32.298 32.500 -0.067 0.000 0.713 1349 K HN 0.519 nan 8.250 nan 0.000 0.439 1350 E N 0.158 120.323 120.200 -0.057 0.000 2.085 1350 E HA -0.222 4.129 4.350 0.001 0.000 0.194 1350 E C 2.016 178.621 176.600 0.009 0.000 0.994 1350 E CA 1.170 57.535 56.400 -0.059 0.000 0.801 1350 E CB -0.197 29.523 29.700 0.033 0.000 0.743 1350 E HN 0.436 nan 8.360 nan 0.000 0.453 1351 A N 1.368 124.205 122.820 0.028 0.000 1.883 1351 A HA -0.184 4.137 4.320 0.001 0.000 0.217 1351 A C 2.236 179.841 177.584 0.036 0.000 1.186 1351 A CA 1.244 53.307 52.037 0.043 0.000 0.624 1351 A CB -0.704 18.275 19.000 -0.035 0.000 0.822 1351 A HN 0.136 nan 8.150 nan 0.000 0.444 1352 L N -0.686 120.519 121.223 -0.031 0.000 2.093 1352 L HA -0.142 4.198 4.340 0.001 0.000 0.208 1352 L C 2.526 179.414 176.870 0.031 0.000 1.085 1352 L CA 0.902 55.740 54.840 -0.003 0.000 0.755 1352 L CB -0.577 41.441 42.059 -0.068 0.000 0.904 1352 L HN 0.246 nan 8.230 nan 0.000 0.435 1353 V N -0.724 119.154 119.914 -0.059 0.000 2.261 1353 V HA -0.302 3.819 4.120 0.001 0.000 0.246 1353 V C 2.554 178.582 176.094 -0.111 0.000 1.047 1353 V CA 1.709 63.932 62.300 -0.129 0.000 1.015 1353 V CB -0.762 30.913 31.823 -0.246 0.000 0.642 1353 V HN 0.451 nan 8.190 nan 0.000 0.446 1354 H N -1.581 117.492 119.070 0.005 0.000 2.387 1354 H HA -0.198 4.359 4.556 0.001 0.000 0.299 1354 H C 2.158 177.497 175.328 0.019 0.000 1.090 1354 H CA 2.212 58.257 56.048 -0.004 0.000 1.332 1354 H CB -0.374 29.376 29.762 -0.019 0.000 1.386 1354 H HN 0.611 nan 8.280 nan 0.000 0.516 1355 Y N 1.076 121.417 120.300 0.067 0.000 2.200 1355 Y HA -0.190 4.361 4.550 0.001 0.000 0.290 1355 Y C 2.531 178.459 175.900 0.046 0.000 1.137 1355 Y CA 0.945 59.070 58.100 0.041 0.000 1.163 1355 Y CB -0.290 38.162 38.460 -0.012 0.000 0.988 1355 Y HN 0.062 nan 8.280 nan 0.000 0.518 1356 L N 0.967 122.154 121.223 -0.061 0.000 2.046 1356 L HA -0.164 4.176 4.340 0.001 0.000 0.208 1356 L C 2.013 178.787 176.870 -0.161 0.000 1.077 1356 L CA 1.954 56.709 54.840 -0.141 0.000 0.747 1356 L CB -0.834 41.208 42.059 -0.029 0.000 0.896 1356 L HN 0.302 nan 8.230 nan 0.000 0.432 1357 E N -1.474 118.675 120.200 -0.085 0.000 2.118 1357 E HA -0.312 4.039 4.350 0.001 0.000 0.195 1357 E C 2.080 178.648 176.600 -0.053 0.000 0.992 1357 E CA 1.340 57.708 56.400 -0.053 0.000 0.804 1357 E CB -0.260 29.438 29.700 -0.003 0.000 0.741 1357 E HN 0.639 nan 8.360 nan 0.000 0.458 1358 H N 0.832 119.785 119.070 -0.195 0.000 2.357 1358 H HA -0.077 4.480 4.556 0.001 0.000 0.301 1358 H C 2.034 177.202 175.328 -0.267 0.000 1.082 1358 H CA 1.529 57.445 56.048 -0.220 0.000 1.342 1358 H CB 0.180 29.797 29.762 -0.243 0.000 1.389 1358 H HN 0.021 nan 8.280 nan 0.000 0.511 1359 Q N 0.815 120.350 119.800 -0.442 0.000 2.079 1359 Q HA -0.101 4.239 4.340 0.001 0.000 0.200 1359 Q C 2.226 178.068 176.000 -0.264 0.000 0.974 1359 Q CA 1.282 56.827 55.803 -0.429 0.000 0.840 1359 Q CB -0.162 28.322 28.738 -0.423 0.000 0.898 1359 Q HN 0.547 nan 8.270 nan 0.000 0.430 1360 K N 0.002 120.287 120.400 -0.192 0.000 2.063 1360 K HA -0.100 4.220 4.320 0.001 0.000 0.208 1360 K C 2.234 178.761 176.600 -0.122 0.000 1.048 1360 K CA 1.684 57.896 56.287 -0.125 0.000 0.928 1360 K CB -0.200 32.246 32.500 -0.091 0.000 0.713 1360 K HN 0.164 nan 8.250 nan 0.000 0.442 1361 T N 1.153 115.627 114.554 -0.135 0.000 2.708 1361 T HA -0.109 4.242 4.350 0.001 0.000 0.266 1361 T C 2.083 176.698 174.700 -0.142 0.000 1.037 1361 T CA 1.214 63.247 62.100 -0.112 0.000 1.146 1361 T CB -0.249 68.571 68.868 -0.080 0.000 0.865 1361 T HN -0.056 nan 8.240 nan 0.000 0.435 1362 V N 1.321 121.089 119.914 -0.243 0.000 2.287 1362 V HA -0.159 3.962 4.120 0.001 0.000 0.248 1362 V C 2.667 178.676 176.094 -0.141 0.000 1.053 1362 V CA 1.479 63.636 62.300 -0.239 0.000 1.027 1362 V CB -0.662 30.930 31.823 -0.386 0.000 0.646 1362 V HN 0.322 nan 8.190 nan 0.000 0.447 1363 V N -0.249 119.587 119.914 -0.130 0.000 2.515 1363 V HA -0.203 3.918 4.120 0.001 0.000 0.250 1363 V C 2.492 178.557 176.094 -0.049 0.000 1.058 1363 V CA 2.154 64.409 62.300 -0.075 0.000 1.064 1363 V CB -0.777 31.005 31.823 -0.069 0.000 0.675 1363 V HN 0.491 nan 8.190 nan 0.000 0.461 1364 R N 0.175 120.641 120.500 -0.057 0.000 2.062 1364 R HA -0.097 4.243 4.340 0.001 0.000 0.229 1364 R C 2.569 178.858 176.300 -0.018 0.000 1.128 1364 R CA 1.322 57.400 56.100 -0.037 0.000 0.960 1364 R CB -0.139 30.137 30.300 -0.040 0.000 0.855 1364 R HN 0.389 nan 8.270 nan 0.000 0.432 1365 R N -0.073 120.413 120.500 -0.023 0.000 2.096 1365 R HA -0.128 4.213 4.340 0.001 0.000 0.235 1365 R C 2.516 178.843 176.300 0.045 0.000 1.127 1365 R CA 1.572 57.675 56.100 0.005 0.000 0.968 1365 R CB -0.342 29.949 30.300 -0.016 0.000 0.861 1365 R HN 0.225 nan 8.270 nan 0.000 0.440 1366 R N 0.315 120.827 120.500 0.020 0.000 2.081 1366 R HA -0.115 4.226 4.340 0.001 0.000 0.235 1366 R C 1.740 178.107 176.300 0.112 0.000 1.131 1366 R CA 1.976 58.112 56.100 0.060 0.000 0.960 1366 R CB -0.188 30.123 30.300 0.019 0.000 0.856 1366 R HN 0.158 nan 8.270 nan 0.000 0.436 1367 T N 0.934 115.517 114.554 0.049 0.000 2.746 1367 T HA -0.143 4.208 4.350 0.001 0.000 0.267 1367 T C 1.784 176.487 174.700 0.006 0.000 1.039 1367 T CA 1.420 63.529 62.100 0.015 0.000 1.142 1367 T CB -0.132 68.725 68.868 -0.019 0.000 0.866 1367 T HN 0.415 nan 8.240 nan 0.000 0.444 1368 Q N -0.374 119.442 119.800 0.026 0.000 2.084 1368 Q HA -0.110 4.231 4.340 0.001 0.000 0.202 1368 Q C 2.068 178.096 176.000 0.047 0.000 0.978 1368 Q CA 1.483 57.297 55.803 0.019 0.000 0.844 1368 Q CB -0.327 28.427 28.738 0.025 0.000 0.898 1368 Q HN 0.664 nan 8.270 nan 0.000 0.426 1369 Y N 1.805 122.100 120.300 -0.008 0.000 2.145 1369 Y HA -0.229 4.322 4.550 0.001 0.000 0.286 1369 Y C 1.791 177.701 175.900 0.018 0.000 1.145 1369 Y CA 1.516 59.622 58.100 0.011 0.000 1.148 1369 Y CB -0.107 38.369 38.460 0.028 0.000 0.981 1369 Y HN 0.096 nan 8.280 nan 0.000 0.507 1370 N N 0.515 119.285 118.700 0.117 0.000 2.223 1370 N HA -0.171 4.569 4.740 0.001 0.000 0.185 1370 N C 1.781 177.226 175.510 -0.108 0.000 1.016 1370 N CA 1.365 54.442 53.050 0.045 0.000 0.863 1370 N CB -0.567 38.010 38.487 0.150 0.000 0.983 1370 N HN 0.413 nan 8.380 nan 0.000 0.429 1371 L N 1.693 122.835 121.223 -0.135 0.000 2.027 1371 L HA -0.041 4.300 4.340 0.001 0.000 0.206 1371 L C 2.172 178.966 176.870 -0.128 0.000 1.074 1371 L CA 1.502 56.250 54.840 -0.153 0.000 0.745 1371 L CB -0.388 41.595 42.059 -0.126 0.000 0.898 1371 L HN 0.001 nan 8.230 nan 0.000 0.433 1372 R N -0.530 119.884 120.500 -0.142 0.000 2.091 1372 R HA -0.156 4.185 4.340 0.001 0.000 0.238 1372 R C 2.121 178.322 176.300 -0.164 0.000 1.136 1372 R CA 1.365 57.380 56.100 -0.142 0.000 0.959 1372 R CB -0.369 29.842 30.300 -0.148 0.000 0.856 1372 R HN 0.268 nan 8.270 nan 0.000 0.437 1373 K N 0.403 120.647 120.400 -0.261 0.000 2.103 1373 K HA 0.007 4.328 4.320 0.001 0.000 0.204 1373 K C 2.038 178.598 176.600 -0.067 0.000 1.052 1373 K CA 1.305 57.466 56.287 -0.209 0.000 0.945 1373 K CB -0.406 31.894 32.500 -0.332 0.000 0.722 1373 K HN 0.158 nan 8.250 nan 0.000 0.443 1374 A N 1.944 124.743 122.820 -0.035 0.000 1.877 1374 A HA -0.177 4.144 4.320 0.001 0.000 0.216 1374 A C 2.109 179.707 177.584 0.024 0.000 1.186 1374 A CA 1.644 53.704 52.037 0.038 0.000 0.620 1374 A CB -0.330 18.694 19.000 0.040 0.000 0.822 1374 A HN 0.272 nan 8.150 nan 0.000 0.443 1375 K N -0.416 119.978 120.400 -0.011 0.000 2.057 1375 K HA -0.147 4.174 4.320 0.001 0.000 0.207 1375 K C 1.559 178.190 176.600 0.051 0.000 1.049 1375 K CA 1.459 57.754 56.287 0.013 0.000 0.931 1375 K CB -0.267 32.222 32.500 -0.018 0.000 0.714 1375 K HN 0.384 nan 8.250 nan 0.000 0.440 1376 D N 0.431 120.842 120.400 0.019 0.000 2.097 1376 D HA -0.157 4.483 4.640 0.001 0.000 0.195 1376 D C 1.948 178.310 176.300 0.103 0.000 0.989 1376 D CA 1.130 55.157 54.000 0.044 0.000 0.827 1376 D CB -0.099 40.700 40.800 -0.002 0.000 0.966 1376 D HN -0.007 nan 8.370 nan 0.000 0.456 1377 R N 1.053 121.599 120.500 0.076 0.000 2.092 1377 R HA 0.030 4.371 4.340 0.001 0.000 0.231 1377 R C 1.910 178.289 176.300 0.133 0.000 1.119 1377 R CA 1.611 57.764 56.100 0.089 0.000 0.970 1377 R CB -0.789 29.553 30.300 0.070 0.000 0.864 1377 R HN 0.091 nan 8.270 nan 0.000 0.440 1378 A N -0.607 122.307 122.820 0.158 0.000 1.902 1378 A HA -0.216 4.105 4.320 0.001 0.000 0.217 1378 A C 2.111 179.846 177.584 0.252 0.000 1.181 1378 A CA 1.899 54.088 52.037 0.254 0.000 0.623 1378 A CB -0.956 18.159 19.000 0.191 0.000 0.818 1378 A HN 0.657 nan 8.150 nan 0.000 0.443 1379 H N -0.046 119.085 119.070 0.102 0.000 2.319 1379 H HA -0.120 4.437 4.556 0.001 0.000 0.299 1379 H C 1.786 177.135 175.328 0.035 0.000 1.092 1379 H CA 2.125 58.210 56.048 0.063 0.000 1.302 1379 H CB -0.101 29.684 29.762 0.038 0.000 1.373 1379 H HN 0.331 nan 8.280 nan 0.000 0.497 1380 I N 0.396 120.995 120.570 0.048 0.000 2.163 1380 I HA -0.251 3.920 4.170 0.001 0.000 0.243 1380 I C 2.496 178.571 176.117 -0.070 0.000 1.085 1380 I CA 1.169 62.453 61.300 -0.026 0.000 1.347 1380 I CB -1.180 36.842 38.000 0.038 0.000 1.044 1380 I HN 0.370 nan 8.210 nan 0.000 0.408 1381 L N 0.234 121.448 121.223 -0.015 0.000 2.131 1381 L HA -0.192 4.148 4.340 0.001 0.000 0.210 1381 L C 2.447 179.183 176.870 -0.224 0.000 1.092 1381 L CA 1.144 55.950 54.840 -0.056 0.000 0.759 1381 L CB -0.509 41.604 42.059 0.089 0.000 0.903 1381 L HN 0.281 nan 8.230 nan 0.000 0.435 1382 E N -0.082 119.965 120.200 -0.254 0.000 2.110 1382 E HA -0.161 4.189 4.350 0.001 0.000 0.193 1382 E C 2.239 178.692 176.600 -0.245 0.000 0.988 1382 E CA 0.983 57.187 56.400 -0.327 0.000 0.804 1382 E CB -0.246 29.325 29.700 -0.216 0.000 0.745 1382 E HN 0.556 nan 8.360 nan 0.000 0.458 1383 G N 1.156 109.816 108.800 -0.233 0.000 2.404 1383 G HA2 -0.222 3.738 3.960 0.001 0.000 0.215 1383 G HA3 -0.222 3.738 3.960 0.001 0.000 0.215 1383 G C 1.560 176.367 174.900 -0.156 0.000 1.174 1383 G CA 0.407 45.395 45.100 -0.187 0.000 0.780 1383 G HN 0.084 nan 8.290 nan 0.000 0.537 1384 L N -0.289 120.847 121.223 -0.145 0.000 2.083 1384 L HA -0.029 4.312 4.340 0.001 0.000 0.209 1384 L C 3.140 179.926 176.870 -0.140 0.000 1.083 1384 L CA 0.932 55.697 54.840 -0.125 0.000 0.752 1384 L CB -0.353 41.650 42.059 -0.094 0.000 0.899 1384 L HN 0.144 nan 8.230 nan 0.000 0.433 1385 R N 0.089 120.484 120.500 -0.176 0.000 2.092 1385 R HA -0.097 4.244 4.340 0.001 0.000 0.231 1385 R C 2.286 178.495 176.300 -0.152 0.000 1.119 1385 R CA 1.216 57.207 56.100 -0.183 0.000 0.970 1385 R CB -0.303 29.834 30.300 -0.271 0.000 0.864 1385 R HN 0.304 nan 8.270 nan 0.000 0.440 1386 I N 0.461 120.953 120.570 -0.131 0.000 2.179 1386 I HA -0.263 3.907 4.170 0.001 0.000 0.242 1386 I C 2.570 178.635 176.117 -0.086 0.000 1.088 1386 I CA 1.229 62.496 61.300 -0.054 0.000 1.357 1386 I CB -0.387 37.597 38.000 -0.027 0.000 1.051 1386 I HN 0.207 nan 8.210 nan 0.000 0.409 1387 A N 0.960 123.682 122.820 -0.164 0.000 1.908 1387 A HA -0.181 4.140 4.320 0.001 0.000 0.218 1387 A C 2.284 179.776 177.584 -0.153 0.000 1.181 1387 A CA 1.516 53.429 52.037 -0.206 0.000 0.627 1387 A CB -0.899 17.989 19.000 -0.186 0.000 0.818 1387 A HN 0.398 nan 8.150 nan 0.000 0.445 1388 L N -0.601 120.541 121.223 -0.135 0.000 2.093 1388 L HA -0.163 4.178 4.340 0.001 0.000 0.208 1388 L C 1.886 178.665 176.870 -0.152 0.000 1.085 1388 L CA 1.255 56.022 54.840 -0.121 0.000 0.755 1388 L CB -0.671 41.325 42.059 -0.105 0.000 0.904 1388 L HN 0.295 nan 8.230 nan 0.000 0.435 1389 D N -1.032 119.238 120.400 -0.217 0.000 2.178 1389 D HA -0.117 4.524 4.640 0.001 0.000 0.202 1389 D C 1.116 177.084 176.300 -0.553 0.000 0.974 1389 D CA 1.251 55.017 54.000 -0.390 0.000 0.841 1389 D CB 0.014 40.513 40.800 -0.501 0.000 0.953 1389 D HN 0.417 nan 8.370 nan 0.000 0.478 1390 H N -0.431 118.595 119.070 -0.073 0.000 2.587 1390 H HA 0.148 4.705 4.556 0.001 0.000 0.245 1390 H C 1.320 176.595 175.328 -0.089 0.000 1.238 1390 H CA -0.432 55.589 56.048 -0.044 0.000 0.963 1390 H CB 0.429 30.199 29.762 0.013 0.000 1.904 1390 H HN -0.003 nan 8.280 nan 0.000 0.584 1391 I N 1.271 121.826 120.570 -0.024 0.000 2.264 1391 I HA -0.251 3.920 4.170 0.001 0.000 0.248 1391 I C 1.631 177.743 176.117 -0.008 0.000 1.111 1391 I CA 1.586 62.859 61.300 -0.044 0.000 1.382 1391 I CB 0.088 38.057 38.000 -0.052 0.000 1.060 1391 I HN 0.161 nan 8.210 nan 0.000 0.418 1392 D N 0.390 120.805 120.400 0.025 0.000 2.097 1392 D HA -0.200 4.441 4.640 0.001 0.000 0.195 1392 D C 2.109 178.449 176.300 0.067 0.000 0.989 1392 D CA 1.472 55.495 54.000 0.039 0.000 0.827 1392 D CB -0.269 40.556 40.800 0.043 0.000 0.966 1392 D HN 0.524 nan 8.370 nan 0.000 0.456 1393 E N 0.153 120.425 120.200 0.119 0.000 2.110 1393 E HA -0.131 4.219 4.350 0.001 0.000 0.193 1393 E C 2.235 178.955 176.600 0.201 0.000 0.988 1393 E CA 0.329 56.851 56.400 0.203 0.000 0.804 1393 E CB 0.106 30.018 29.700 0.354 0.000 0.745 1393 E HN 0.227 nan 8.360 nan 0.000 0.458 1394 I N 1.285 121.869 120.570 0.023 0.000 2.179 1394 I HA -0.263 3.907 4.170 0.001 0.000 0.242 1394 I C 2.358 178.474 176.117 -0.003 0.000 1.088 1394 I CA 1.104 62.344 61.300 -0.100 0.000 1.357 1394 I CB -0.887 36.978 38.000 -0.225 0.000 1.051 1394 I HN 0.156 nan 8.210 nan 0.000 0.409 1395 I N 0.669 121.239 120.570 0.001 0.000 2.226 1395 I HA -0.226 3.945 4.170 0.001 0.000 0.245 1395 I C 2.690 178.825 176.117 0.030 0.000 1.100 1395 I CA 1.270 62.576 61.300 0.009 0.000 1.374 1395 I CB -1.464 36.539 38.000 0.005 0.000 1.057 1395 I HN 0.163 nan 8.210 nan 0.000 0.413 1396 S N 0.561 116.290 115.700 0.048 0.000 2.356 1396 S HA -0.155 4.316 4.470 0.001 0.000 0.223 1396 S C 2.054 176.689 174.600 0.060 0.000 1.032 1396 S CA 1.890 60.121 58.200 0.051 0.000 1.005 1396 S CB -0.448 62.786 63.200 0.057 0.000 0.867 1396 S HN 0.492 nan 8.310 nan 0.000 0.449 1397 T N 2.688 117.300 114.554 0.097 0.000 2.684 1397 T HA -0.044 4.306 4.350 0.001 0.000 0.267 1397 T C 1.733 176.475 174.700 0.070 0.000 1.036 1397 T CA 1.312 63.477 62.100 0.109 0.000 1.148 1397 T CB -0.443 68.559 68.868 0.223 0.000 0.863 1397 T HN 0.332 nan 8.240 nan 0.000 0.436 1398 I N 0.318 120.920 120.570 0.055 0.000 2.286 1398 I HA -0.101 4.070 4.170 0.001 0.000 0.245 1398 I C 2.826 178.958 176.117 0.024 0.000 1.104 1398 I CA 1.053 62.373 61.300 0.033 0.000 1.397 1398 I CB -0.323 37.687 38.000 0.017 0.000 1.072 1398 I HN 0.090 nan 8.210 nan 0.000 0.417 1399 R N 1.229 121.743 120.500 0.023 0.000 2.096 1399 R HA -0.192 4.148 4.340 0.001 0.000 0.235 1399 R C 1.909 178.219 176.300 0.017 0.000 1.127 1399 R CA 1.686 57.796 56.100 0.017 0.000 0.968 1399 R CB -0.446 29.863 30.300 0.016 0.000 0.861 1399 R HN 0.589 nan 8.270 nan 0.000 0.440 1400 E N 0.516 120.729 120.200 0.021 0.000 2.511 1400 E HA 0.031 4.382 4.350 0.001 0.000 0.196 1400 E C -0.350 176.259 176.600 0.015 0.000 1.066 1400 E CA 0.103 56.513 56.400 0.017 0.000 0.871 1400 E CB 0.286 29.996 29.700 0.017 0.000 0.863 1400 E HN -0.075 nan 8.360 nan 0.000 0.520 1401 S N 1.294 117.005 115.700 0.018 0.000 2.480 1401 S HA 0.101 4.572 4.470 0.001 0.000 0.286 1401 S C -0.144 174.463 174.600 0.012 0.000 1.180 1401 S CA -0.764 57.446 58.200 0.016 0.000 1.075 1401 S CB 1.548 64.760 63.200 0.021 0.000 0.996 1401 S HN 0.112 nan 8.310 nan 0.000 0.487 1402 D N 1.837 122.242 120.400 0.010 0.000 2.234 1402 D HA 0.032 4.672 4.640 0.001 0.000 0.205 1402 D C 1.190 177.495 176.300 0.008 0.000 0.962 1402 D CA 1.015 55.020 54.000 0.008 0.000 0.855 1402 D CB 0.240 41.044 40.800 0.006 0.000 0.951 1402 D HN 0.688 nan 8.370 nan 0.000 0.500 1403 T N -3.057 111.502 114.554 0.009 0.000 2.887 1403 T HA 0.301 4.652 4.350 0.001 0.000 0.292 1403 T C 0.430 175.136 174.700 0.010 0.000 1.087 1403 T CA -0.815 61.290 62.100 0.008 0.000 1.009 1403 T CB 2.041 70.913 68.868 0.007 0.000 1.203 1403 T HN -0.399 nan 8.240 nan 0.000 0.518 1404 D N 0.103 120.509 120.400 0.009 0.000 2.144 1404 D HA -0.056 4.585 4.640 0.001 0.000 0.199 1404 D C 1.853 178.161 176.300 0.013 0.000 0.984 1404 D CA 1.240 55.247 54.000 0.010 0.000 0.834 1404 D CB -0.050 40.755 40.800 0.009 0.000 0.955 1404 D HN 0.719 nan 8.370 nan 0.000 0.465 1405 K N 0.570 120.977 120.400 0.012 0.000 2.057 1405 K HA -0.099 4.222 4.320 0.001 0.000 0.207 1405 K C 1.875 178.484 176.600 0.015 0.000 1.049 1405 K CA 0.862 57.156 56.287 0.013 0.000 0.931 1405 K CB 0.009 32.515 32.500 0.010 0.000 0.714 1405 K HN -0.064 nan 8.250 nan 0.000 0.440 1406 V N 1.255 121.177 119.914 0.014 0.000 2.427 1406 V HA -0.208 3.913 4.120 0.001 0.000 0.248 1406 V C 2.425 178.532 176.094 0.022 0.000 1.051 1406 V CA 1.849 64.158 62.300 0.015 0.000 1.048 1406 V CB -0.570 31.260 31.823 0.012 0.000 0.666 1406 V HN 0.507 nan 8.190 nan 0.000 0.456 1407 A N -0.456 122.378 122.820 0.023 0.000 1.877 1407 A HA -0.221 4.100 4.320 0.001 0.000 0.216 1407 A C 2.259 179.867 177.584 0.039 0.000 1.186 1407 A CA 1.968 54.024 52.037 0.032 0.000 0.620 1407 A CB -0.490 18.525 19.000 0.025 0.000 0.822 1407 A HN 0.377 nan 8.150 nan 0.000 0.443 1408 M N -0.336 119.282 119.600 0.031 0.000 2.073 1408 M HA -0.213 4.268 4.480 0.001 0.000 0.258 1408 M C 2.005 178.329 176.300 0.040 0.000 1.070 1408 M CA 1.982 57.302 55.300 0.033 0.000 1.103 1408 M CB -1.489 31.126 32.600 0.025 0.000 1.321 1408 M HN 0.557 nan 8.290 nan 0.000 0.405 1409 E N -0.566 119.652 120.200 0.031 0.000 2.077 1409 E HA -0.127 4.223 4.350 0.001 0.000 0.193 1409 E C 2.089 178.707 176.600 0.031 0.000 0.989 1409 E CA 1.513 57.929 56.400 0.027 0.000 0.800 1409 E CB -0.051 29.659 29.700 0.017 0.000 0.746 1409 E HN 0.415 nan 8.360 nan 0.000 0.452 1410 S N 0.832 116.554 115.700 0.037 0.000 2.383 1410 S HA -0.067 4.404 4.470 0.001 0.000 0.227 1410 S C 2.002 176.653 174.600 0.086 0.000 1.026 1410 S CA 0.630 58.853 58.200 0.038 0.000 0.981 1410 S CB -0.084 63.141 63.200 0.041 0.000 0.818 1410 S HN 0.165 nan 8.310 nan 0.000 0.472 1411 L N 1.296 122.601 121.223 0.137 0.000 2.027 1411 L HA -0.158 4.183 4.340 0.001 0.000 0.206 1411 L C 2.728 179.734 176.870 0.226 0.000 1.074 1411 L CA 1.240 56.234 54.840 0.256 0.000 0.745 1411 L CB -0.554 41.591 42.059 0.144 0.000 0.898 1411 L HN 0.341 nan 8.230 nan 0.000 0.433 1412 Q N -0.584 119.284 119.800 0.114 0.000 2.084 1412 Q HA -0.283 4.058 4.340 0.001 0.000 0.202 1412 Q C 2.175 178.206 176.000 0.051 0.000 0.978 1412 Q CA 1.684 57.536 55.803 0.082 0.000 0.844 1412 Q CB -0.146 28.624 28.738 0.053 0.000 0.898 1412 Q HN 0.522 nan 8.270 nan 0.000 0.426 1413 Q N 1.004 120.815 119.800 0.018 0.000 1.990 1413 Q HA -0.180 4.160 4.340 0.001 0.000 0.200 1413 Q C 2.189 178.125 176.000 -0.107 0.000 0.980 1413 Q CA 1.132 56.915 55.803 -0.033 0.000 0.832 1413 Q CB -0.014 28.700 28.738 -0.039 0.000 0.897 1413 Q HN 0.177 nan 8.270 nan 0.000 0.427 1414 R N -0.918 119.462 120.500 -0.200 0.000 2.092 1414 R HA -0.092 4.249 4.340 0.001 0.000 0.231 1414 R C 0.916 176.813 176.300 -0.672 0.000 1.119 1414 R CA 1.439 57.224 56.100 -0.524 0.000 0.970 1414 R CB 0.035 29.835 30.300 -0.833 0.000 0.864 1414 R HN 0.281 nan 8.270 nan 0.000 0.440 1415 F N 0.428 120.347 119.950 -0.052 0.000 2.668 1415 F HA 0.335 4.862 4.527 0.001 0.000 0.301 1415 F C 0.024 175.800 175.800 -0.039 0.000 1.106 1415 F CA -0.480 57.484 58.000 -0.061 0.000 1.289 1415 F CB 0.522 39.490 39.000 -0.054 0.000 1.006 1415 F HN -0.181 nan 8.300 nan 0.000 0.535 1416 K N 1.324 121.766 120.400 0.070 0.000 3.156 1416 K HA -0.201 4.119 4.320 0.001 0.000 0.266 1416 K C -0.578 176.066 176.600 0.073 0.000 0.966 1416 K CA 0.280 56.599 56.287 0.053 0.000 0.719 1416 K CB -1.779 30.741 32.500 0.033 0.000 1.333 1416 K HN 0.386 nan 8.250 nan 0.000 0.468 1417 L N 0.441 121.718 121.223 0.089 0.000 2.344 1417 L HA 0.306 4.647 4.340 0.001 0.000 0.272 1417 L C 1.184 178.097 176.870 0.072 0.000 1.035 1417 L CA -0.742 54.137 54.840 0.066 0.000 0.807 1417 L CB 1.645 43.742 42.059 0.064 0.000 1.237 1417 L HN 0.250 nan 8.230 nan 0.000 0.442 1418 S N -0.295 115.460 115.700 0.092 0.000 2.624 1418 S HA 0.089 4.559 4.470 0.001 0.000 0.263 1418 S C 0.841 175.499 174.600 0.096 0.000 1.287 1418 S CA -0.393 57.887 58.200 0.133 0.000 0.990 1418 S CB 1.224 64.600 63.200 0.292 0.000 0.950 1418 S HN 0.776 nan 8.310 nan 0.000 0.561 1419 E N 0.890 121.139 120.200 0.082 0.000 2.077 1419 E HA -0.184 4.167 4.350 0.001 0.000 0.193 1419 E C 1.818 178.455 176.600 0.062 0.000 0.989 1419 E CA 1.263 57.698 56.400 0.059 0.000 0.800 1419 E CB -0.172 29.555 29.700 0.044 0.000 0.746 1419 E HN 0.706 nan 8.360 nan 0.000 0.452 1420 K N 0.069 120.524 120.400 0.091 0.000 2.057 1420 K HA -0.195 4.126 4.320 0.001 0.000 0.207 1420 K C 2.363 179.004 176.600 0.069 0.000 1.049 1420 K CA 1.633 57.977 56.287 0.094 0.000 0.931 1420 K CB -0.084 32.501 32.500 0.143 0.000 0.714 1420 K HN 0.201 nan 8.250 nan 0.000 0.440 1421 Q N 0.026 119.860 119.800 0.056 0.000 2.079 1421 Q HA -0.096 4.244 4.340 0.001 0.000 0.200 1421 Q C 2.201 178.187 176.000 -0.024 0.000 0.974 1421 Q CA 1.344 57.125 55.803 -0.037 0.000 0.840 1421 Q CB -0.123 28.539 28.738 -0.126 0.000 0.898 1421 Q HN 0.341 nan 8.270 nan 0.000 0.430 1422 A N 0.843 123.666 122.820 0.005 0.000 1.902 1422 A HA -0.218 4.103 4.320 0.001 0.000 0.217 1422 A C 2.066 179.652 177.584 0.002 0.000 1.181 1422 A CA 1.191 53.232 52.037 0.007 0.000 0.623 1422 A CB -0.385 18.634 19.000 0.031 0.000 0.818 1422 A HN 0.242 nan 8.150 nan 0.000 0.443 1423 Q N -0.570 119.237 119.800 0.012 0.000 2.084 1423 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 1423 Q C 2.464 178.464 176.000 0.000 0.000 0.978 1423 Q CA 1.577 57.386 55.803 0.009 0.000 0.844 1423 Q CB -0.616 28.132 28.738 0.017 0.000 0.898 1423 Q HN 0.664 nan 8.270 nan 0.000 0.426 1424 A N 0.893 123.712 122.820 -0.003 0.000 1.902 1424 A HA -0.162 4.159 4.320 0.001 0.000 0.217 1424 A C 2.155 179.723 177.584 -0.027 0.000 1.181 1424 A CA 1.141 53.171 52.037 -0.012 0.000 0.623 1424 A CB -0.663 18.328 19.000 -0.015 0.000 0.818 1424 A HN 0.307 nan 8.150 nan 0.000 0.443 1425 I N -0.435 120.111 120.570 -0.040 0.000 2.179 1425 I HA -0.256 3.914 4.170 0.001 0.000 0.242 1425 I C 2.314 178.407 176.117 -0.040 0.000 1.088 1425 I CA 1.156 62.423 61.300 -0.056 0.000 1.357 1425 I CB -0.320 37.630 38.000 -0.083 0.000 1.051 1425 I HN 0.277 nan 8.210 nan 0.000 0.409 1426 L N 0.201 121.409 121.223 -0.025 0.000 2.191 1426 L HA -0.216 4.125 4.340 0.001 0.000 0.212 1426 L C 1.620 178.483 176.870 -0.012 0.000 1.103 1426 L CA 1.044 55.874 54.840 -0.015 0.000 0.769 1426 L CB -0.510 41.546 42.059 -0.005 0.000 0.908 1426 L HN 0.275 nan 8.230 nan 0.000 0.438 1427 D N -0.592 119.801 120.400 -0.012 0.000 2.355 1427 D HA -0.002 4.639 4.640 0.001 0.000 0.218 1427 D C 0.979 177.272 176.300 -0.012 0.000 1.004 1427 D CA 0.310 54.305 54.000 -0.008 0.000 0.880 1427 D CB 0.150 40.948 40.800 -0.004 0.000 0.911 1427 D HN 0.209 nan 8.370 nan 0.000 0.528 1428 M N 1.417 121.005 119.600 -0.019 0.000 2.246 1428 M HA 0.039 4.520 4.480 0.001 0.000 0.350 1428 M C 0.022 176.311 176.300 -0.019 0.000 1.406 1428 M CA 0.084 55.371 55.300 -0.022 0.000 1.089 1428 M CB 0.603 33.182 32.600 -0.034 0.000 1.782 1428 M HN -0.275 nan 8.290 nan 0.000 0.457 1429 R N 4.135 124.626 120.500 -0.016 0.000 2.531 1429 R HA 0.215 4.555 4.340 0.001 0.000 0.273 1429 R C 0.985 177.276 176.300 -0.016 0.000 1.070 1429 R CA -0.551 55.541 56.100 -0.013 0.000 1.112 1429 R CB 0.570 30.864 30.300 -0.010 0.000 1.049 1429 R HN 0.852 nan 8.270 nan 0.000 0.508 1430 L N 2.245 123.460 121.223 -0.014 0.000 2.127 1430 L HA -0.235 4.106 4.340 0.001 0.000 0.211 1430 L C 2.543 179.404 176.870 -0.015 0.000 1.089 1430 L CA 1.609 56.441 54.840 -0.015 0.000 0.757 1430 L CB -0.520 41.532 42.059 -0.012 0.000 0.899 1430 L HN 0.659 nan 8.230 nan 0.000 0.434 1431 R N -0.003 120.489 120.500 -0.012 0.000 2.200 1431 R HA -0.134 4.207 4.340 0.001 0.000 0.234 1431 R C 1.881 178.172 176.300 -0.014 0.000 1.127 1431 R CA 0.804 56.897 56.100 -0.011 0.000 0.989 1431 R CB -0.433 29.861 30.300 -0.009 0.000 0.869 1431 R HN 0.229 nan 8.270 nan 0.000 0.459 1432 R N 1.020 121.510 120.500 -0.017 0.000 2.328 1432 R HA 0.049 4.390 4.340 0.001 0.000 0.207 1432 R C 1.648 177.933 176.300 -0.024 0.000 1.056 1432 R CA 0.628 56.716 56.100 -0.020 0.000 1.016 1432 R CB -0.247 30.039 30.300 -0.023 0.000 0.872 1432 R HN 0.397 nan 8.270 nan 0.000 0.471 1433 L N 0.841 122.049 121.223 -0.024 0.000 2.592 1433 L HA 0.037 4.378 4.340 0.001 0.000 0.227 1433 L C 0.911 177.768 176.870 -0.022 0.000 1.127 1433 L CA 0.061 54.885 54.840 -0.026 0.000 0.884 1433 L CB -0.320 41.724 42.059 -0.026 0.000 1.065 1433 L HN 0.066 nan 8.230 nan 0.000 0.457 1434 T N -2.872 111.671 114.554 -0.018 0.000 2.860 1434 T HA 0.194 4.545 4.350 0.001 0.000 0.299 1434 T C 1.584 176.274 174.700 -0.016 0.000 1.045 1434 T CA -0.046 62.045 62.100 -0.015 0.000 1.071 1434 T CB 1.629 70.490 68.868 -0.012 0.000 0.985 1434 T HN 0.206 nan 8.240 nan 0.000 0.537 1435 G N 0.881 109.673 108.800 -0.014 0.000 2.553 1435 G HA2 -0.202 3.759 3.960 0.001 0.000 0.218 1435 G HA3 -0.202 3.759 3.960 0.001 0.000 0.218 1435 G C 1.279 176.171 174.900 -0.013 0.000 1.195 1435 G CA 0.879 45.970 45.100 -0.014 0.000 0.779 1435 G HN 0.593 nan 8.290 nan 0.000 0.577 1436 L N 0.697 121.914 121.223 -0.010 0.000 2.042 1436 L HA -0.023 4.318 4.340 0.001 0.000 0.210 1436 L C 2.832 179.696 176.870 -0.009 0.000 1.076 1436 L CA 1.462 56.297 54.840 -0.008 0.000 0.749 1436 L CB -0.618 41.437 42.059 -0.007 0.000 0.893 1436 L HN 0.196 nan 8.230 nan 0.000 0.432 1437 E N -0.576 119.617 120.200 -0.011 0.000 2.106 1437 E HA -0.164 4.187 4.350 0.001 0.000 0.192 1437 E C 2.408 178.999 176.600 -0.016 0.000 0.984 1437 E CA 0.760 57.153 56.400 -0.012 0.000 0.806 1437 E CB -0.134 29.558 29.700 -0.014 0.000 0.750 1437 E HN 0.436 nan 8.360 nan 0.000 0.458 1438 R N 0.749 121.237 120.500 -0.020 0.000 2.081 1438 R HA -0.114 4.227 4.340 0.001 0.000 0.235 1438 R C 1.934 178.222 176.300 -0.019 0.000 1.131 1438 R CA 1.466 57.550 56.100 -0.026 0.000 0.960 1438 R CB -0.056 30.225 30.300 -0.031 0.000 0.856 1438 R HN 0.093 nan 8.270 nan 0.000 0.436 1439 D N 0.340 120.732 120.400 -0.013 0.000 2.178 1439 D HA -0.133 4.508 4.640 0.001 0.000 0.201 1439 D C 1.570 177.871 176.300 0.002 0.000 0.980 1439 D CA 1.203 55.200 54.000 -0.005 0.000 0.842 1439 D CB 0.007 40.804 40.800 -0.005 0.000 0.948 1439 D HN 0.213 nan 8.370 nan 0.000 0.472 1440 K N 0.252 120.652 120.400 0.000 0.000 2.057 1440 K HA -0.036 4.284 4.320 0.001 0.000 0.207 1440 K C 2.291 178.899 176.600 0.014 0.000 1.049 1440 K CA 0.586 56.877 56.287 0.005 0.000 0.931 1440 K CB -0.011 32.490 32.500 0.001 0.000 0.714 1440 K HN 0.147 nan 8.250 nan 0.000 0.440 1441 I N 0.943 121.516 120.570 0.006 0.000 2.226 1441 I HA -0.277 3.894 4.170 0.001 0.000 0.245 1441 I C 2.536 178.676 176.117 0.039 0.000 1.100 1441 I CA 1.236 62.543 61.300 0.011 0.000 1.374 1441 I CB -0.162 37.826 38.000 -0.021 0.000 1.057 1441 I HN 0.198 nan 8.210 nan 0.000 0.413 1442 E N 1.455 121.672 120.200 0.028 0.000 2.047 1442 E HA -0.193 4.158 4.350 0.001 0.000 0.191 1442 E C 2.099 178.758 176.600 0.099 0.000 0.987 1442 E CA 1.729 58.165 56.400 0.060 0.000 0.799 1442 E CB -0.188 29.528 29.700 0.027 0.000 0.752 1442 E HN 0.396 nan 8.360 nan 0.000 0.449 1443 A N 0.805 123.660 122.820 0.058 0.000 1.902 1443 A HA -0.229 4.092 4.320 0.001 0.000 0.217 1443 A C 2.254 179.868 177.584 0.051 0.000 1.181 1443 A CA 1.806 53.870 52.037 0.045 0.000 0.623 1443 A CB -0.783 18.230 19.000 0.022 0.000 0.818 1443 A HN 0.469 nan 8.150 nan 0.000 0.443 1444 E N -1.674 118.561 120.200 0.059 0.000 2.110 1444 E HA -0.249 4.102 4.350 0.001 0.000 0.193 1444 E C 1.827 178.482 176.600 0.091 0.000 0.988 1444 E CA 1.489 57.923 56.400 0.057 0.000 0.804 1444 E CB -0.304 29.428 29.700 0.054 0.000 0.745 1444 E HN 0.710 nan 8.360 nan 0.000 0.458 1445 Y N 1.784 122.086 120.300 0.003 0.000 2.145 1445 Y HA -0.196 4.355 4.550 0.001 0.000 0.286 1445 Y C 1.963 177.873 175.900 0.016 0.000 1.145 1445 Y CA 1.963 60.068 58.100 0.009 0.000 1.148 1445 Y CB -0.247 38.214 38.460 0.001 0.000 0.981 1445 Y HN 0.087 nan 8.280 nan 0.000 0.507 1446 N N 0.551 119.256 118.700 0.009 0.000 2.166 1446 N HA -0.162 4.578 4.740 0.001 0.000 0.186 1446 N C 1.656 177.117 175.510 -0.082 0.000 1.019 1446 N CA 1.777 54.785 53.050 -0.069 0.000 0.856 1446 N CB -0.335 38.164 38.487 0.020 0.000 0.993 1446 N HN 0.585 nan 8.380 nan 0.000 0.426 1447 E N 0.420 120.597 120.200 -0.039 0.000 2.072 1447 E HA -0.121 4.230 4.350 0.001 0.000 0.191 1447 E C 1.825 178.414 176.600 -0.017 0.000 0.985 1447 E CA 0.484 56.868 56.400 -0.026 0.000 0.801 1447 E CB -0.078 29.608 29.700 -0.023 0.000 0.750 1447 E HN 0.093 nan 8.360 nan 0.000 0.452 1448 L N 0.898 122.097 121.223 -0.039 0.000 2.093 1448 L HA -0.133 4.207 4.340 0.001 0.000 0.208 1448 L C 1.988 178.830 176.870 -0.048 0.000 1.085 1448 L CA 1.379 56.221 54.840 0.004 0.000 0.755 1448 L CB -0.205 41.851 42.059 -0.005 0.000 0.904 1448 L HN 0.138 nan 8.230 nan 0.000 0.435 1449 L N -0.777 120.325 121.223 -0.201 0.000 2.046 1449 L HA -0.225 4.115 4.340 0.001 0.000 0.208 1449 L C 2.252 179.074 176.870 -0.080 0.000 1.077 1449 L CA 1.085 55.806 54.840 -0.198 0.000 0.747 1449 L CB -0.804 41.074 42.059 -0.301 0.000 0.896 1449 L HN 0.351 nan 8.230 nan 0.000 0.432 1450 N N -0.482 118.194 118.700 -0.040 0.000 2.084 1450 N HA -0.239 4.502 4.740 0.001 0.000 0.190 1450 N C 1.753 177.300 175.510 0.062 0.000 1.030 1450 N CA 1.256 54.310 53.050 0.006 0.000 0.849 1450 N CB -0.566 37.931 38.487 0.016 0.000 1.012 1450 N HN 0.266 nan 8.380 nan 0.000 0.423 1451 Y N 1.626 121.893 120.300 -0.055 0.000 2.165 1451 Y HA -0.045 4.506 4.550 0.001 0.000 0.286 1451 Y C 2.134 178.011 175.900 -0.038 0.000 1.155 1451 Y CA 1.065 59.141 58.100 -0.039 0.000 1.164 1451 Y CB -0.513 37.926 38.460 -0.034 0.000 0.978 1451 Y HN 0.007 nan 8.280 nan 0.000 0.513 1452 I N -0.362 120.149 120.570 -0.098 0.000 2.226 1452 I HA -0.353 3.818 4.170 0.001 0.000 0.245 1452 I C 2.613 178.642 176.117 -0.146 0.000 1.100 1452 I CA 1.792 62.988 61.300 -0.175 0.000 1.374 1452 I CB -0.600 37.340 38.000 -0.100 0.000 1.057 1452 I HN 0.333 nan 8.210 nan 0.000 0.413 1453 S N 0.198 115.844 115.700 -0.089 0.000 2.387 1453 S HA -0.163 4.307 4.470 0.001 0.000 0.226 1453 S C 1.756 176.314 174.600 -0.070 0.000 1.026 1453 S CA 0.897 59.056 58.200 -0.068 0.000 0.972 1453 S CB -0.491 62.684 63.200 -0.043 0.000 0.814 1453 S HN 0.471 nan 8.310 nan 0.000 0.477 1454 E N 1.423 121.584 120.200 -0.065 0.000 2.118 1454 E HA -0.063 4.287 4.350 0.001 0.000 0.195 1454 E C 2.044 178.585 176.600 -0.098 0.000 0.992 1454 E CA 1.404 57.773 56.400 -0.051 0.000 0.804 1454 E CB -0.432 29.273 29.700 0.009 0.000 0.741 1454 E HN 0.523 nan 8.360 nan 0.000 0.458 1455 L N 0.737 121.842 121.223 -0.197 0.000 2.093 1455 L HA -0.163 4.177 4.340 0.001 0.000 0.208 1455 L C 2.266 179.058 176.870 -0.131 0.000 1.085 1455 L CA 1.101 55.813 54.840 -0.214 0.000 0.755 1455 L CB -0.273 41.566 42.059 -0.366 0.000 0.904 1455 L HN 0.101 nan 8.230 nan 0.000 0.435 1456 E N -0.509 119.622 120.200 -0.115 0.000 2.106 1456 E HA -0.166 4.184 4.350 0.001 0.000 0.192 1456 E C 2.092 178.658 176.600 -0.057 0.000 0.984 1456 E CA 1.592 57.946 56.400 -0.078 0.000 0.806 1456 E CB -0.060 29.600 29.700 -0.068 0.000 0.750 1456 E HN 0.421 nan 8.360 nan 0.000 0.458 1457 T N 1.331 115.853 114.554 -0.054 0.000 2.746 1457 T HA -0.135 4.216 4.350 0.001 0.000 0.267 1457 T C 1.948 176.627 174.700 -0.036 0.000 1.039 1457 T CA 0.927 63.004 62.100 -0.038 0.000 1.142 1457 T CB -0.170 68.680 68.868 -0.031 0.000 0.866 1457 T HN 0.119 nan 8.240 nan 0.000 0.444 1458 I N 0.740 121.285 120.570 -0.042 0.000 2.179 1458 I HA -0.132 4.038 4.170 0.001 0.000 0.242 1458 I C 2.126 178.221 176.117 -0.035 0.000 1.088 1458 I CA 1.316 62.594 61.300 -0.036 0.000 1.357 1458 I CB -0.389 37.588 38.000 -0.038 0.000 1.051 1458 I HN 0.194 nan 8.210 nan 0.000 0.409 1459 L N 0.326 121.524 121.223 -0.042 0.000 2.376 1459 L HA -0.054 4.286 4.340 0.001 0.000 0.219 1459 L C 2.553 179.404 176.870 -0.031 0.000 1.133 1459 L CA 0.646 55.464 54.840 -0.037 0.000 0.816 1459 L CB -0.520 41.514 42.059 -0.042 0.000 0.933 1459 L HN 0.210 nan 8.230 nan 0.000 0.449 1460 A N -1.532 121.269 122.820 -0.031 0.000 2.123 1460 A HA -0.055 4.266 4.320 0.001 0.000 0.214 1460 A C 0.525 178.095 177.584 -0.023 0.000 1.152 1460 A CA 0.565 52.587 52.037 -0.026 0.000 0.728 1460 A CB -0.025 18.960 19.000 -0.025 0.000 0.814 1460 A HN 0.262 nan 8.150 nan 0.000 0.464 1461 D N -0.718 119.669 120.400 -0.023 0.000 2.473 1461 D HA 0.244 4.884 4.640 0.001 0.000 0.253 1461 D C 0.456 176.743 176.300 -0.022 0.000 1.233 1461 D CA -0.378 53.609 54.000 -0.021 0.000 0.908 1461 D CB 0.976 41.765 40.800 -0.019 0.000 1.170 1461 D HN 0.031 nan 8.370 nan 0.000 0.558 1462 E N 2.135 122.322 120.200 -0.022 0.000 2.160 1462 E HA -0.212 4.139 4.350 0.001 0.000 0.195 1462 E C 1.170 177.756 176.600 -0.023 0.000 0.991 1462 E CA 0.890 57.276 56.400 -0.023 0.000 0.810 1462 E CB 0.343 30.029 29.700 -0.023 0.000 0.742 1462 E HN 0.557 nan 8.360 nan 0.000 0.466 1463 E N 0.792 120.980 120.200 -0.020 0.000 2.107 1463 E HA -0.093 4.257 4.350 0.001 0.000 0.191 1463 E C 2.044 178.633 176.600 -0.017 0.000 0.982 1463 E CA 0.632 57.021 56.400 -0.018 0.000 0.809 1463 E CB -0.092 29.599 29.700 -0.016 0.000 0.756 1463 E HN 0.009 nan 8.360 nan 0.000 0.459 1464 V N 1.339 121.243 119.914 -0.017 0.000 2.358 1464 V HA -0.196 3.925 4.120 0.001 0.000 0.246 1464 V C 2.419 178.503 176.094 -0.017 0.000 1.047 1464 V CA 1.596 63.886 62.300 -0.016 0.000 1.035 1464 V CB -0.583 31.230 31.823 -0.016 0.000 0.658 1464 V HN 0.403 nan 8.190 nan 0.000 0.452 1465 L N -0.087 121.123 121.223 -0.022 0.000 2.017 1465 L HA -0.150 4.191 4.340 0.001 0.000 0.208 1465 L C 2.417 179.270 176.870 -0.027 0.000 1.073 1465 L CA 2.247 57.072 54.840 -0.025 0.000 0.745 1465 L CB -0.790 41.251 42.059 -0.030 0.000 0.894 1465 L HN 0.365 nan 8.230 nan 0.000 0.432 1466 L N 0.398 121.605 121.223 -0.027 0.000 2.083 1466 L HA -0.241 4.100 4.340 0.001 0.000 0.209 1466 L C 2.579 179.437 176.870 -0.021 0.000 1.083 1466 L CA 1.918 56.741 54.840 -0.028 0.000 0.752 1466 L CB -0.801 41.242 42.059 -0.027 0.000 0.899 1466 L HN 0.373 nan 8.230 nan 0.000 0.433 1467 Q N -0.917 118.873 119.800 -0.016 0.000 2.167 1467 Q HA -0.189 4.152 4.340 0.001 0.000 0.202 1467 Q C 2.043 178.039 176.000 -0.007 0.000 0.970 1467 Q CA 1.793 57.589 55.803 -0.010 0.000 0.855 1467 Q CB -0.523 28.210 28.738 -0.009 0.000 0.911 1467 Q HN 0.512 nan 8.270 nan 0.000 0.438 1468 L N -0.815 120.403 121.223 -0.009 0.000 2.093 1468 L HA -0.077 4.263 4.340 0.001 0.000 0.208 1468 L C 1.988 178.855 176.870 -0.005 0.000 1.085 1468 L CA 1.384 56.222 54.840 -0.004 0.000 0.755 1468 L CB -0.662 41.394 42.059 -0.005 0.000 0.904 1468 L HN 0.123 nan 8.230 nan 0.000 0.435 1469 V N 0.045 119.949 119.914 -0.016 0.000 2.343 1469 V HA -0.294 3.827 4.120 0.001 0.000 0.247 1469 V C 2.727 178.819 176.094 -0.002 0.000 1.051 1469 V CA 2.065 64.352 62.300 -0.021 0.000 1.036 1469 V CB -0.663 31.134 31.823 -0.044 0.000 0.654 1469 V HN 0.464 nan 8.190 nan 0.000 0.451 1470 R N 0.007 120.506 120.500 -0.001 0.000 2.080 1470 R HA -0.173 4.168 4.340 0.001 0.000 0.236 1470 R C 2.115 178.423 176.300 0.014 0.000 1.137 1470 R CA 1.877 57.981 56.100 0.007 0.000 0.943 1470 R CB -0.637 29.664 30.300 0.001 0.000 0.846 1470 R HN 0.515 nan 8.270 nan 0.000 0.431 1471 D N 0.636 121.042 120.400 0.010 0.000 2.123 1471 D HA -0.160 4.481 4.640 0.001 0.000 0.196 1471 D C 1.769 178.082 176.300 0.022 0.000 0.992 1471 D CA 1.275 55.283 54.000 0.013 0.000 0.833 1471 D CB -0.175 40.631 40.800 0.010 0.000 0.954 1471 D HN 0.384 nan 8.370 nan 0.000 0.455 1472 E N 0.085 120.300 120.200 0.025 0.000 2.106 1472 E HA -0.067 4.284 4.350 0.001 0.000 0.192 1472 E C 2.374 179.009 176.600 0.057 0.000 0.984 1472 E CA 0.257 56.680 56.400 0.038 0.000 0.806 1472 E CB -0.003 29.717 29.700 0.032 0.000 0.750 1472 E HN 0.260 nan 8.360 nan 0.000 0.458 1473 L N 0.579 121.836 121.223 0.056 0.000 2.056 1473 L HA -0.146 4.194 4.340 0.001 0.000 0.207 1473 L C 2.525 179.429 176.870 0.058 0.000 1.078 1473 L CA 1.134 56.019 54.840 0.076 0.000 0.749 1473 L CB -0.372 41.734 42.059 0.078 0.000 0.901 1473 L HN 0.146 nan 8.230 nan 0.000 0.433 1474 T N -1.127 113.449 114.554 0.038 0.000 2.788 1474 T HA -0.213 4.138 4.350 0.001 0.000 0.268 1474 T C 1.826 176.540 174.700 0.023 0.000 1.044 1474 T CA 1.221 63.336 62.100 0.024 0.000 1.139 1474 T CB -0.141 68.735 68.868 0.014 0.000 0.867 1474 T HN 0.275 nan 8.240 nan 0.000 0.454 1475 E N 1.057 121.275 120.200 0.030 0.000 2.072 1475 E HA -0.074 4.277 4.350 0.001 0.000 0.191 1475 E C 2.193 178.819 176.600 0.043 0.000 0.985 1475 E CA 0.928 57.343 56.400 0.025 0.000 0.801 1475 E CB -0.279 29.439 29.700 0.030 0.000 0.750 1475 E HN 0.511 nan 8.360 nan 0.000 0.452 1476 I N 0.541 121.166 120.570 0.092 0.000 2.226 1476 I HA -0.246 3.924 4.170 0.001 0.000 0.245 1476 I C 2.948 179.141 176.117 0.127 0.000 1.100 1476 I CA 0.927 62.333 61.300 0.176 0.000 1.374 1476 I CB -0.322 37.789 38.000 0.184 0.000 1.057 1476 I HN 0.067 nan 8.210 nan 0.000 0.413 1477 R N 1.072 121.607 120.500 0.057 0.000 2.083 1477 R HA -0.214 4.127 4.340 0.001 0.000 0.237 1477 R C 1.813 178.113 176.300 -0.000 0.000 1.137 1477 R CA 2.185 58.295 56.100 0.018 0.000 0.951 1477 R CB -0.230 30.074 30.300 0.007 0.000 0.851 1477 R HN 0.292 nan 8.270 nan 0.000 0.434 1478 D N -0.406 119.986 120.400 -0.013 0.000 2.178 1478 D HA -0.166 4.474 4.640 0.001 0.000 0.201 1478 D C 1.930 178.175 176.300 -0.092 0.000 0.980 1478 D CA 1.091 55.067 54.000 -0.040 0.000 0.842 1478 D CB -0.121 40.657 40.800 -0.036 0.000 0.948 1478 D HN 0.287 nan 8.370 nan 0.000 0.472 1479 R N -1.070 119.344 120.500 -0.143 0.000 2.112 1479 R HA 0.045 4.386 4.340 0.001 0.000 0.216 1479 R C 1.288 177.271 176.300 -0.528 0.000 1.080 1479 R CA 0.623 56.506 56.100 -0.362 0.000 0.996 1479 R CB 0.089 30.099 30.300 -0.483 0.000 0.902 1479 R HN 0.069 nan 8.270 nan 0.000 0.449 1480 F N -0.370 119.524 119.950 -0.093 0.000 2.724 1480 F HA 0.388 4.916 4.527 0.001 0.000 0.306 1480 F C 1.142 176.874 175.800 -0.113 0.000 1.100 1480 F CA -0.112 57.811 58.000 -0.128 0.000 1.255 1480 F CB 0.311 39.160 39.000 -0.252 0.000 1.072 1480 F HN -0.014 nan 8.300 nan 0.000 0.589 1481 G N 1.370 110.195 108.800 0.042 0.000 2.380 1481 G HA2 0.362 4.322 3.960 0.001 0.000 0.242 1481 G HA3 0.362 4.322 3.960 0.001 0.000 0.242 1481 G C -0.671 174.266 174.900 0.062 0.000 1.298 1481 G CA -0.091 45.023 45.100 0.024 0.000 0.878 1481 G HN 0.225 nan 8.290 nan 0.000 0.542 1482 D N 0.370 120.834 120.400 0.108 0.000 2.636 1482 D HA 0.327 4.968 4.640 0.001 0.000 0.275 1482 D C -0.814 175.526 176.300 0.066 0.000 1.130 1482 D CA -0.887 53.169 54.000 0.094 0.000 1.031 1482 D CB 0.636 41.515 40.800 0.131 0.000 1.451 1482 D HN 0.193 nan 8.370 nan 0.000 0.505 1483 D N -0.251 120.173 120.400 0.040 0.000 2.382 1483 D HA 0.152 4.793 4.640 0.001 0.000 0.240 1483 D C 0.390 176.700 176.300 0.017 0.000 1.146 1483 D CA -0.044 53.970 54.000 0.023 0.000 0.897 1483 D CB 0.726 41.533 40.800 0.013 0.000 1.197 1483 D HN 0.319 nan 8.370 nan 0.000 0.432 1484 R N 1.360 121.864 120.500 0.006 0.000 2.537 1484 R HA 0.087 4.428 4.340 0.001 0.000 0.280 1484 R C 0.781 177.070 176.300 -0.017 0.000 1.058 1484 R CA 0.151 56.244 56.100 -0.011 0.000 1.057 1484 R CB 0.634 30.926 30.300 -0.014 0.000 0.973 1484 R HN 0.406 nan 8.270 nan 0.000 0.438 1485 R N 1.465 121.945 120.500 -0.033 0.000 2.102 1485 R HA 0.090 4.430 4.340 0.001 0.000 0.208 1485 R C 0.149 176.447 176.300 -0.002 0.000 1.131 1485 R CA 0.650 56.740 56.100 -0.017 0.000 1.054 1485 R CB 0.077 30.363 30.300 -0.023 0.000 0.954 1485 R HN 0.547 nan 8.270 nan 0.000 0.465 1486 T N 2.283 116.827 114.554 -0.016 0.000 2.834 1486 T HA 0.023 4.374 4.350 0.001 0.000 0.298 1486 T C -0.208 174.491 174.700 -0.002 0.000 0.966 1486 T CA 0.099 62.209 62.100 0.017 0.000 1.141 1486 T CB 1.076 69.957 68.868 0.022 0.000 0.905 1486 T HN 0.123 nan 8.240 nan 0.000 0.535 1487 E N 3.581 123.791 120.200 0.016 0.000 2.229 1487 E HA 0.257 4.607 4.350 0.001 0.000 0.283 1487 E C -0.631 175.971 176.600 0.003 0.000 1.030 1487 E CA -0.543 55.861 56.400 0.006 0.000 0.836 1487 E CB 0.524 30.230 29.700 0.011 0.000 1.068 1487 E HN 0.553 nan 8.360 nan 0.000 0.401 1488 I N 4.898 125.463 120.570 -0.009 0.000 2.297 1488 I HA 0.107 4.277 4.170 0.001 0.000 0.291 1488 I C 0.219 176.330 176.117 -0.009 0.000 1.033 1488 I CA -0.266 61.027 61.300 -0.013 0.000 1.253 1488 I CB 1.038 39.024 38.000 -0.022 0.000 1.396 1488 I HN 0.397 nan 8.210 nan 0.000 0.476 1489 Q N 5.790 125.583 119.800 -0.011 0.000 2.271 1489 Q HA 0.585 4.926 4.340 0.001 0.000 0.258 1489 Q C 0.129 176.121 176.000 -0.014 0.000 0.936 1489 Q CA -0.551 55.245 55.803 -0.011 0.000 0.909 1489 Q CB 2.205 30.935 28.738 -0.013 0.000 1.253 1489 Q HN 0.642 nan 8.270 nan 0.000 0.440 1490 L N 0.000 121.217 121.223 -0.010 0.000 2.949 1490 L HA 0.000 4.341 4.340 0.001 0.000 0.249 1490 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 1490 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 1490 L HN 0.000 nan 8.230 nan 0.000 0.502