REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2xcr_1_B DATA FIRST_RESID 417 DATA SEQUENCE KLADCSSKSP EECEIFLVEG DSAGGSTKSG RDSRTQAILP LRGKILNVEK DATA SEQUENCE ARLDRILNNN EIRQMITAFG TGIGGDFDLA KARYHKIVIM TDADVDGAHI DATA SEQUENCE RTLLLTFFYR FMRPLIEAGY VYIAQPPLYK LTQGKQKYYV YNDRELDKLK DATA SEQUENCE SELNPTPKWS IARYKGLGEM NADQLWETTM NPEHRALLQV KLEDAIEADQ DATA SEQUENCE TFEMLMGDVV ENRRQFIEDN AVYANLDFXX 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 XXXXXAELPQ SRINERNITS DATA SEQUENCE EMRESFLDYA MSVIVARALP DVRDGLKPVH RRILYGLNEQ GMTPDKSYKK DATA SEQUENCE SARIVGDVMG KYHPHGDSSI YEAMVRMAQD FSYRYPLVDG QGNFGSMDGD DATA SEQUENCE GAAAMRFTEA RMTKITLELL RDINKDTIDF IDNYDGNERE PSVLPARFPN DATA SEQUENCE LLANGASGIA VGMATNIPPH NLTELINGVL SLSKNPDISI AELMEDIEGP DATA SEQUENCE DFPTAGLILG KSGIRRAYET GRGSIQMRSR AVIEERGGGR QRIVVTEIPF DATA SEQUENCE QVNKARMIEK IAELVRDKKI DGITDLRDET SLRTGVRVVI DVRKDANASV DATA SEQUENCE ILNNLYKQTP LQTSFGVNMI ALVNGRPKLI NLKEALVHYL EHQKTVVRRR DATA SEQUENCE TQYNLRKAKD RAHILEGLRI ALDHIDEIIS TIRESDTDKV AMESLQQRFK DATA SEQUENCE LSEKQAQAIL DMRLRRLTGL ERDKIEAEYN ELLNYISELE TILADEEVLL DATA SEQUENCE QLVRDELTEI RDRFGDDRRT EIQLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 417 K HA 0.000 nan 4.320 nan 0.000 0.191 417 K C 0.000 176.616 176.600 0.026 0.000 0.988 417 K CA 0.000 56.295 56.287 0.014 0.000 0.838 417 K CB 0.000 32.505 32.500 0.009 0.000 1.064 418 L N 2.221 123.464 121.223 0.033 0.000 2.485 418 L HA 0.680 5.022 4.340 0.005 0.000 0.275 418 L C 0.272 177.177 176.870 0.058 0.000 1.207 418 L CA 0.231 55.104 54.840 0.055 0.000 0.855 418 L CB 1.177 43.278 42.059 0.069 0.000 1.114 418 L HN 0.545 nan 8.230 nan 0.000 0.485 419 A N 4.062 126.923 122.820 0.068 0.000 2.304 419 A HA 0.595 4.918 4.320 0.005 0.000 0.314 419 A C -0.950 176.683 177.584 0.082 0.000 1.187 419 A CA -0.627 51.446 52.037 0.060 0.000 0.810 419 A CB 0.687 19.712 19.000 0.042 0.000 1.183 419 A HN 0.770 nan 8.150 nan 0.000 0.487 420 D N 0.708 121.160 120.400 0.087 0.000 2.392 420 D HA 0.632 5.275 4.640 0.005 0.000 0.246 420 D C 0.440 176.793 176.300 0.089 0.000 1.013 420 D CA -0.305 53.767 54.000 0.120 0.000 0.993 420 D CB 1.672 42.564 40.800 0.154 0.000 1.219 420 D HN 0.749 nan 8.370 nan 0.000 0.538 421 C N -0.342 119.023 119.300 0.108 0.000 2.365 421 C HA 0.638 5.101 4.460 0.005 0.000 0.374 421 C C 2.081 177.115 174.990 0.073 0.000 1.318 421 C CA 0.236 59.302 59.018 0.079 0.000 2.239 421 C CB 0.212 28.004 27.740 0.088 0.000 2.144 421 C HN 0.608 nan 8.230 nan 0.000 0.581 422 S N 0.257 115.989 115.700 0.052 0.000 2.406 422 S HA -0.012 4.461 4.470 0.005 0.000 0.224 422 S C 1.013 175.640 174.600 0.046 0.000 1.030 422 S CA 1.011 59.236 58.200 0.041 0.000 0.958 422 S CB -0.703 62.512 63.200 0.025 0.000 0.811 422 S HN 0.921 nan 8.310 nan 0.000 0.489 423 S N 1.077 116.810 115.700 0.055 0.000 2.584 423 S HA 0.330 4.803 4.470 0.005 0.000 0.270 423 S C 0.167 174.802 174.600 0.058 0.000 1.346 423 S CA -0.257 57.973 58.200 0.050 0.000 1.018 423 S CB 0.500 63.731 63.200 0.051 0.000 0.899 423 S HN 0.516 nan 8.310 nan 0.000 0.542 424 K N 1.467 121.889 120.400 0.036 0.000 3.012 424 K HA 0.221 4.544 4.320 0.005 0.000 0.207 424 K C -1.027 175.576 176.600 0.005 0.000 1.130 424 K CA -0.033 56.270 56.287 0.026 0.000 1.021 424 K CB 0.923 33.433 32.500 0.016 0.000 0.736 424 K HN 0.308 nan 8.250 nan 0.000 0.448 425 S N 1.963 117.665 115.700 0.003 0.000 2.528 425 S HA 0.203 4.676 4.470 0.005 0.000 0.303 425 S C -1.940 172.615 174.600 -0.075 0.000 1.123 425 S CA -1.402 56.779 58.200 -0.033 0.000 1.138 425 S CB 1.165 64.349 63.200 -0.027 0.000 0.984 425 S HN 0.074 nan 8.310 nan 0.000 0.474 426 P HA -0.217 nan 4.420 nan 0.000 0.218 426 P C 1.336 178.245 177.300 -0.651 0.000 1.152 426 P CA 1.268 64.188 63.100 -0.300 0.000 0.857 426 P CB 0.265 31.795 31.700 -0.283 0.000 0.787 427 E N -0.445 119.434 120.200 -0.535 0.000 2.033 427 E HA -0.234 4.119 4.350 0.005 0.000 0.199 427 E C 1.999 178.507 176.600 -0.154 0.000 1.011 427 E CA 1.610 57.795 56.400 -0.357 0.000 0.815 427 E CB -0.264 29.355 29.700 -0.136 0.000 0.755 427 E HN 0.557 nan 8.360 nan 0.000 0.451 428 E N -0.279 119.869 120.200 -0.087 0.000 2.385 428 E HA 0.010 4.363 4.350 0.005 0.000 0.194 428 E C 0.562 177.164 176.600 0.003 0.000 1.013 428 E CA -0.001 56.380 56.400 -0.031 0.000 0.866 428 E CB 0.093 29.787 29.700 -0.011 0.000 0.832 428 E HN 0.026 nan 8.360 nan 0.000 0.500 429 C N 2.272 121.589 119.300 0.030 0.000 2.605 429 C HA 0.329 4.792 4.460 0.005 0.000 0.404 429 C C 0.265 175.349 174.990 0.157 0.000 1.284 429 C CA -0.235 58.861 59.018 0.131 0.000 2.199 429 C CB -0.095 27.788 27.740 0.239 0.000 2.647 429 C HN 0.564 nan 8.230 nan 0.000 0.604 430 E N 1.817 122.043 120.200 0.044 0.000 2.456 430 E HA 0.749 5.102 4.350 0.005 0.000 0.278 430 E C -1.418 174.924 176.600 -0.430 0.000 1.034 430 E CA -0.793 55.529 56.400 -0.131 0.000 0.846 430 E CB 1.651 31.276 29.700 -0.126 0.000 1.460 430 E HN 0.569 nan 8.360 nan 0.000 0.463 431 I N 0.707 121.066 120.570 -0.351 0.000 2.710 431 I HA 0.353 4.526 4.170 0.005 0.000 0.290 431 I C -1.928 174.168 176.117 -0.034 0.000 1.318 431 I CA -0.893 60.279 61.300 -0.212 0.000 1.045 431 I CB 1.256 39.009 38.000 -0.412 0.000 1.307 431 I HN 0.516 nan 8.210 nan 0.000 0.424 432 F N 7.504 127.460 119.950 0.010 0.000 2.334 432 F HA 0.421 4.951 4.527 0.005 0.000 0.367 432 F C 0.018 175.891 175.800 0.120 0.000 1.115 432 F CA -0.668 57.380 58.000 0.079 0.000 1.116 432 F CB 0.974 40.017 39.000 0.072 0.000 1.230 432 F HN 0.156 nan 8.300 nan 0.000 0.484 433 L N 5.318 126.722 121.223 0.301 0.000 2.433 433 L HA 0.400 4.743 4.340 0.005 0.000 0.275 433 L C 0.072 177.085 176.870 0.238 0.000 1.128 433 L CA -0.615 54.388 54.840 0.272 0.000 0.875 433 L CB -0.135 42.114 42.059 0.317 0.000 1.171 433 L HN 0.407 nan 8.230 nan 0.000 0.463 434 V N -0.239 119.790 119.914 0.192 0.000 2.881 434 V HA 0.392 4.515 4.120 0.005 0.000 0.316 434 V C 0.957 177.122 176.094 0.118 0.000 1.070 434 V CA -0.823 61.572 62.300 0.159 0.000 0.976 434 V CB 1.846 33.752 31.823 0.139 0.000 1.038 434 V HN 0.730 nan 8.190 nan 0.000 0.446 435 E N 2.132 122.395 120.200 0.106 0.000 2.035 435 E HA -0.049 4.304 4.350 0.005 0.000 0.204 435 E C 0.949 177.586 176.600 0.062 0.000 1.025 435 E CA 2.044 58.493 56.400 0.082 0.000 0.835 435 E CB -0.073 29.674 29.700 0.078 0.000 0.764 435 E HN 0.971 nan 8.360 nan 0.000 0.457 436 G N -0.784 108.051 108.800 0.058 0.000 3.135 436 G HA2 0.134 4.097 3.960 0.005 0.000 0.278 436 G HA3 0.134 4.097 3.960 0.005 0.000 0.278 436 G C -0.354 174.570 174.900 0.040 0.000 1.302 436 G CA -0.362 44.764 45.100 0.043 0.000 0.880 436 G HN -0.076 nan 8.290 nan 0.000 0.574 437 D N -0.358 120.059 120.400 0.029 0.000 2.289 437 D HA 0.013 4.656 4.640 0.005 0.000 0.207 437 D C 2.203 178.515 176.300 0.021 0.000 0.966 437 D CA 0.733 54.748 54.000 0.024 0.000 0.868 437 D CB 0.608 41.418 40.800 0.016 0.000 0.943 437 D HN 0.188 nan 8.370 nan 0.000 0.514 438 S N 0.372 116.084 115.700 0.021 0.000 2.362 438 S HA -0.032 4.441 4.470 0.005 0.000 0.221 438 S C 2.057 176.671 174.600 0.024 0.000 1.032 438 S CA 0.924 59.134 58.200 0.017 0.000 0.973 438 S CB 0.201 63.410 63.200 0.015 0.000 0.849 438 S HN 0.282 nan 8.310 nan 0.000 0.465 439 A N 0.832 123.673 122.820 0.036 0.000 1.929 439 A HA 0.202 4.525 4.320 0.005 0.000 0.216 439 A C 2.048 179.661 177.584 0.047 0.000 1.176 439 A CA 1.364 53.429 52.037 0.048 0.000 0.628 439 A CB -1.024 18.014 19.000 0.064 0.000 0.816 439 A HN 0.513 nan 8.150 nan 0.000 0.444 440 G N -0.802 108.025 108.800 0.045 0.000 2.990 440 G HA2 0.264 4.226 3.960 0.005 0.000 0.206 440 G HA3 0.264 4.226 3.960 0.005 0.000 0.206 440 G C 1.042 175.955 174.900 0.021 0.000 1.169 440 G CA 0.916 46.039 45.100 0.039 0.000 0.819 440 G HN 0.600 nan 8.290 nan 0.000 0.517 441 G N 0.508 109.319 108.800 0.018 0.000 2.518 441 G HA2 -0.081 3.882 3.960 0.005 0.000 0.213 441 G HA3 -0.081 3.882 3.960 0.005 0.000 0.213 441 G C 1.869 176.771 174.900 0.004 0.000 1.226 441 G CA 0.974 46.078 45.100 0.008 0.000 0.822 441 G HN 0.312 nan 8.290 nan 0.000 0.546 442 S N 0.572 116.280 115.700 0.013 0.000 2.423 442 S HA -0.163 4.310 4.470 0.005 0.000 0.238 442 S C 2.502 177.106 174.600 0.008 0.000 1.028 442 S CA 1.905 60.116 58.200 0.019 0.000 1.000 442 S CB -0.429 62.797 63.200 0.043 0.000 0.797 442 S HN 0.537 nan 8.310 nan 0.000 0.487 443 T N 0.919 115.471 114.554 -0.003 0.000 2.777 443 T HA -0.050 4.302 4.350 0.005 0.000 0.266 443 T C 1.745 176.404 174.700 -0.069 0.000 1.040 443 T CA 1.088 63.161 62.100 -0.045 0.000 1.141 443 T CB -0.152 68.696 68.868 -0.035 0.000 0.868 443 T HN 0.343 nan 8.240 nan 0.000 0.444 444 K N 0.568 120.943 120.400 -0.042 0.000 2.432 444 K HA 0.143 4.466 4.320 0.005 0.000 0.196 444 K C 2.416 178.980 176.600 -0.059 0.000 1.038 444 K CA 0.462 56.722 56.287 -0.045 0.000 0.986 444 K CB -0.020 32.467 32.500 -0.022 0.000 0.782 444 K HN 0.151 nan 8.250 nan 0.000 0.485 445 S N -1.360 114.306 115.700 -0.056 0.000 2.460 445 S HA 0.079 4.552 4.470 0.005 0.000 0.226 445 S C 1.543 176.078 174.600 -0.108 0.000 1.057 445 S CA 0.667 58.827 58.200 -0.067 0.000 0.948 445 S CB 0.306 63.482 63.200 -0.040 0.000 0.822 445 S HN 0.481 nan 8.310 nan 0.000 0.512 446 G N 1.791 110.540 108.800 -0.085 0.000 3.042 446 G HA2 0.169 4.132 3.960 0.005 0.000 0.212 446 G HA3 0.169 4.132 3.960 0.005 0.000 0.212 446 G C 0.420 175.197 174.900 -0.204 0.000 1.166 446 G CA -0.450 44.580 45.100 -0.116 0.000 0.767 446 G HN 0.534 nan 8.290 nan 0.000 0.546 447 R N -0.131 120.266 120.500 -0.171 0.000 2.580 447 R HA 0.522 4.865 4.340 0.005 0.000 0.267 447 R C -0.994 175.134 176.300 -0.288 0.000 1.125 447 R CA -0.785 55.230 56.100 -0.142 0.000 1.188 447 R CB 0.188 30.419 30.300 -0.115 0.000 1.155 447 R HN -0.054 nan 8.270 nan 0.000 0.586 448 D N -0.531 119.789 120.400 -0.133 0.000 2.359 448 D HA 0.181 4.824 4.640 0.005 0.000 0.230 448 D C 0.036 176.309 176.300 -0.045 0.000 1.118 448 D CA -0.178 53.747 54.000 -0.125 0.000 0.844 448 D CB 1.091 41.910 40.800 0.033 0.000 1.059 448 D HN 0.561 nan 8.370 nan 0.000 0.493 449 S N 2.815 118.474 115.700 -0.068 0.000 2.392 449 S HA -0.278 4.195 4.470 0.005 0.000 0.232 449 S C 2.385 176.987 174.600 0.003 0.000 1.041 449 S CA 1.704 59.886 58.200 -0.031 0.000 1.026 449 S CB -0.345 62.831 63.200 -0.040 0.000 0.845 449 S HN 0.679 nan 8.310 nan 0.000 0.465 450 R N 1.034 121.538 120.500 0.007 0.000 2.115 450 R HA -0.022 4.321 4.340 0.005 0.000 0.230 450 R C 2.251 178.579 176.300 0.047 0.000 1.111 450 R CA 1.989 58.104 56.100 0.024 0.000 0.976 450 R CB -1.516 28.795 30.300 0.019 0.000 0.870 450 R HN 0.714 nan 8.270 nan 0.000 0.445 451 T N -4.925 109.665 114.554 0.061 0.000 3.028 451 T HA 0.227 4.580 4.350 0.005 0.000 0.262 451 T C 0.411 175.169 174.700 0.097 0.000 0.916 451 T CA -0.248 61.899 62.100 0.080 0.000 0.873 451 T CB 0.336 69.250 68.868 0.077 0.000 1.232 451 T HN 0.476 nan 8.240 nan 0.000 0.529 452 Q N 1.109 120.972 119.800 0.105 0.000 2.293 452 Q HA 0.789 5.132 4.340 0.005 0.000 0.261 452 Q C -0.974 175.074 176.000 0.080 0.000 0.960 452 Q CA -0.804 55.084 55.803 0.141 0.000 0.882 452 Q CB 2.128 30.988 28.738 0.203 0.000 1.275 452 Q HN 0.531 nan 8.270 nan 0.000 0.445 453 A N 3.027 125.874 122.820 0.044 0.000 2.354 453 A HA 0.820 5.143 4.320 0.005 0.000 0.321 453 A C -0.876 176.754 177.584 0.077 0.000 1.125 453 A CA -0.630 51.417 52.037 0.018 0.000 0.799 453 A CB 0.968 19.933 19.000 -0.060 0.000 1.293 453 A HN 0.739 nan 8.150 nan 0.000 0.452 454 I N 0.477 121.094 120.570 0.079 0.000 2.646 454 I HA 0.466 4.639 4.170 0.005 0.000 0.299 454 I C -1.197 174.987 176.117 0.111 0.000 1.036 454 I CA -0.713 60.653 61.300 0.109 0.000 1.074 454 I CB 2.160 40.196 38.000 0.061 0.000 1.258 454 I HN 0.517 nan 8.210 nan 0.000 0.430 455 L N 8.216 129.520 121.223 0.135 0.000 2.427 455 L HA 0.553 4.896 4.340 0.005 0.000 0.264 455 L C -2.543 174.388 176.870 0.101 0.000 0.989 455 L CA -1.538 53.371 54.840 0.115 0.000 0.865 455 L CB 1.502 43.641 42.059 0.134 0.000 1.209 455 L HN 0.230 nan 8.230 nan 0.000 0.430 456 P HA 0.128 nan 4.420 nan 0.000 0.270 456 P C -0.527 176.799 177.300 0.043 0.000 1.242 456 P CA 0.229 63.363 63.100 0.057 0.000 0.768 456 P CB 0.701 32.425 31.700 0.040 0.000 0.820 457 L N 2.720 123.972 121.223 0.047 0.000 2.751 457 L HA 0.807 5.149 4.340 0.005 0.000 0.241 457 L C 1.291 178.171 176.870 0.017 0.000 1.146 457 L CA -1.161 53.694 54.840 0.025 0.000 0.879 457 L CB 0.315 42.395 42.059 0.035 0.000 1.687 457 L HN 0.174 nan 8.230 nan 0.000 0.527 458 R N -0.072 120.431 120.500 0.004 0.000 2.468 458 R HA 0.594 4.936 4.340 0.005 0.000 0.302 458 R C 0.194 176.498 176.300 0.007 0.000 1.041 458 R CA -0.144 55.960 56.100 0.006 0.000 0.899 458 R CB 0.225 30.523 30.300 -0.003 0.000 1.167 458 R HN 0.989 nan 8.270 nan 0.000 0.483 459 G N 2.171 110.982 108.800 0.018 0.000 2.582 459 G HA2 -0.274 3.689 3.960 0.005 0.000 0.300 459 G HA3 -0.274 3.689 3.960 0.005 0.000 0.300 459 G C -0.222 174.688 174.900 0.016 0.000 1.300 459 G CA 0.240 45.351 45.100 0.018 0.000 0.959 459 G HN 0.888 nan 8.290 nan 0.000 0.548 460 K N -0.000 120.404 120.400 0.006 0.000 2.451 460 K HA 0.288 4.610 4.320 0.005 0.000 0.280 460 K C 0.135 176.742 176.600 0.012 0.000 1.020 460 K CA -0.189 56.105 56.287 0.012 0.000 1.008 460 K CB 1.017 33.502 32.500 -0.025 0.000 0.917 460 K HN 0.309 nan 8.250 nan 0.000 0.478 461 I N 2.446 123.027 120.570 0.019 0.000 2.607 461 I HA 0.180 4.353 4.170 0.005 0.000 0.305 461 I C 0.199 176.309 176.117 -0.010 0.000 0.995 461 I CA -1.842 59.445 61.300 -0.022 0.000 1.148 461 I CB 1.401 39.357 38.000 -0.074 0.000 1.323 461 I HN 0.543 nan 8.210 nan 0.000 0.461 462 L N 6.163 127.359 121.223 -0.045 0.000 2.700 462 L HA -0.040 4.303 4.340 0.005 0.000 0.272 462 L C 0.532 177.412 176.870 0.016 0.000 1.176 462 L CA 0.126 54.956 54.840 -0.018 0.000 0.961 462 L CB -0.263 41.766 42.059 -0.050 0.000 1.249 462 L HN 0.611 nan 8.230 nan 0.000 0.487 463 N N 4.313 123.052 118.700 0.065 0.000 2.484 463 N HA -0.109 4.634 4.740 0.005 0.000 0.295 463 N C 1.135 176.709 175.510 0.108 0.000 1.240 463 N CA 0.706 53.815 53.050 0.099 0.000 1.085 463 N CB 0.558 39.116 38.487 0.119 0.000 1.465 463 N HN 0.653 nan 8.380 nan 0.000 0.496 464 V N 2.317 122.315 119.914 0.140 0.000 2.944 464 V HA -0.154 3.969 4.120 0.005 0.000 0.265 464 V C 1.698 177.900 176.094 0.181 0.000 1.125 464 V CA 1.617 64.035 62.300 0.198 0.000 1.145 464 V CB -0.327 31.721 31.823 0.374 0.000 0.725 464 V HN 0.512 nan 8.190 nan 0.000 0.510 465 E N 0.736 121.015 120.200 0.131 0.000 2.072 465 E HA -0.178 4.175 4.350 0.005 0.000 0.191 465 E C 2.213 178.855 176.600 0.071 0.000 0.985 465 E CA 1.737 58.187 56.400 0.084 0.000 0.801 465 E CB -0.116 29.629 29.700 0.075 0.000 0.750 465 E HN 0.719 nan 8.360 nan 0.000 0.452 466 K N -0.026 120.419 120.400 0.075 0.000 2.211 466 K HA 0.131 4.454 4.320 0.005 0.000 0.201 466 K C 0.995 177.631 176.600 0.059 0.000 1.052 466 K CA 0.336 56.660 56.287 0.062 0.000 0.973 466 K CB 0.397 32.936 32.500 0.065 0.000 0.766 466 K HN -0.061 nan 8.250 nan 0.000 0.466 467 A N 1.507 124.368 122.820 0.068 0.000 2.264 467 A HA 0.442 4.765 4.320 0.005 0.000 0.304 467 A C -0.249 177.377 177.584 0.069 0.000 1.100 467 A CA -0.464 51.608 52.037 0.058 0.000 0.839 467 A CB 0.643 19.671 19.000 0.047 0.000 1.121 467 A HN 0.107 nan 8.150 nan 0.000 0.496 468 R N -0.605 119.927 120.500 0.054 0.000 2.546 468 R HA 0.331 4.674 4.340 0.005 0.000 0.266 468 R C 1.411 177.754 176.300 0.071 0.000 1.086 468 R CA -0.511 55.624 56.100 0.059 0.000 1.160 468 R CB 0.350 30.674 30.300 0.041 0.000 1.138 468 R HN 0.696 nan 8.270 nan 0.000 0.567 469 L N 1.580 122.850 121.223 0.078 0.000 2.012 469 L HA -0.218 4.125 4.340 0.005 0.000 0.210 469 L C 1.554 178.458 176.870 0.056 0.000 1.073 469 L CA 2.221 57.117 54.840 0.093 0.000 0.748 469 L CB -0.637 41.473 42.059 0.084 0.000 0.891 469 L HN 0.862 nan 8.230 nan 0.000 0.431 470 D N -0.834 119.587 120.400 0.036 0.000 2.183 470 D HA -0.270 4.372 4.640 0.005 0.000 0.203 470 D C 2.138 178.440 176.300 0.003 0.000 0.969 470 D CA 1.340 55.350 54.000 0.018 0.000 0.842 470 D CB -0.283 40.526 40.800 0.015 0.000 0.957 470 D HN 0.437 nan 8.370 nan 0.000 0.484 471 R N 0.557 121.061 120.500 0.007 0.000 2.210 471 R HA 0.210 4.553 4.340 0.005 0.000 0.203 471 R C 2.244 178.529 176.300 -0.025 0.000 1.010 471 R CA 0.258 56.354 56.100 -0.007 0.000 1.008 471 R CB -0.514 29.788 30.300 0.003 0.000 0.923 471 R HN 0.149 nan 8.270 nan 0.000 0.469 472 I N 0.313 120.871 120.570 -0.020 0.000 2.546 472 I HA -0.169 4.004 4.170 0.005 0.000 0.255 472 I C 1.311 177.347 176.117 -0.134 0.000 1.163 472 I CA 0.941 62.201 61.300 -0.066 0.000 1.457 472 I CB 0.086 38.073 38.000 -0.022 0.000 1.092 472 I HN 0.211 nan 8.210 nan 0.000 0.434 473 L N -0.629 120.538 121.223 -0.095 0.000 2.307 473 L HA -0.003 4.340 4.340 0.005 0.000 0.211 473 L C 1.739 178.560 176.870 -0.082 0.000 1.099 473 L CA 0.842 55.621 54.840 -0.101 0.000 0.816 473 L CB -0.615 41.408 42.059 -0.059 0.000 0.952 473 L HN 0.223 nan 8.230 nan 0.000 0.455 474 N N 0.310 118.974 118.700 -0.061 0.000 2.512 474 N HA -0.090 4.652 4.740 0.005 0.000 0.183 474 N C 0.610 176.082 175.510 -0.064 0.000 1.073 474 N CA -0.128 52.891 53.050 -0.051 0.000 0.911 474 N CB -0.009 38.458 38.487 -0.034 0.000 0.964 474 N HN 0.229 nan 8.380 nan 0.000 0.447 475 N N 1.830 120.477 118.700 -0.088 0.000 2.440 475 N HA -0.016 4.726 4.740 0.005 0.000 0.265 475 N C 0.330 175.773 175.510 -0.111 0.000 1.239 475 N CA 0.232 53.220 53.050 -0.104 0.000 0.909 475 N CB 0.611 39.012 38.487 -0.143 0.000 1.066 475 N HN 0.085 nan 8.380 nan 0.000 0.474 476 N N 3.183 121.831 118.700 -0.087 0.000 2.120 476 N HA -0.149 4.593 4.740 0.005 0.000 0.188 476 N C 0.870 176.321 175.510 -0.099 0.000 1.024 476 N CA 1.441 54.444 53.050 -0.079 0.000 0.852 476 N CB 0.049 38.503 38.487 -0.055 0.000 1.003 476 N HN 0.639 nan 8.380 nan 0.000 0.424 477 E N 0.122 120.253 120.200 -0.115 0.000 2.107 477 E HA -0.004 4.349 4.350 0.005 0.000 0.191 477 E C 1.580 178.053 176.600 -0.212 0.000 0.982 477 E CA 0.525 56.844 56.400 -0.135 0.000 0.809 477 E CB -0.047 29.580 29.700 -0.121 0.000 0.756 477 E HN 0.275 nan 8.360 nan 0.000 0.459 478 I N 0.599 120.997 120.570 -0.285 0.000 2.454 478 I HA -0.191 3.981 4.170 0.005 0.000 0.254 478 I C 2.052 178.015 176.117 -0.258 0.000 1.156 478 I CA 1.308 62.349 61.300 -0.433 0.000 1.433 478 I CB -0.783 36.900 38.000 -0.529 0.000 1.082 478 I HN 0.107 nan 8.210 nan 0.000 0.432 479 R N 0.327 120.722 120.500 -0.174 0.000 2.119 479 R HA -0.068 4.275 4.340 0.005 0.000 0.222 479 R C 2.141 178.378 176.300 -0.104 0.000 1.088 479 R CA 0.673 56.706 56.100 -0.113 0.000 0.984 479 R CB -0.011 30.237 30.300 -0.087 0.000 0.884 479 R HN 0.477 nan 8.270 nan 0.000 0.447 480 Q N -0.392 119.339 119.800 -0.115 0.000 2.297 480 Q HA -0.058 4.285 4.340 0.005 0.000 0.204 480 Q C 1.876 177.775 176.000 -0.168 0.000 0.962 480 Q CA 1.086 56.827 55.803 -0.105 0.000 0.879 480 Q CB 0.184 28.876 28.738 -0.075 0.000 0.947 480 Q HN 0.338 nan 8.270 nan 0.000 0.462 481 M N -0.366 119.100 119.600 -0.222 0.000 2.216 481 M HA -0.071 4.412 4.480 0.005 0.000 0.264 481 M C 1.993 178.007 176.300 -0.476 0.000 1.080 481 M CA 1.008 56.044 55.300 -0.440 0.000 1.153 481 M CB -0.015 32.457 32.600 -0.213 0.000 1.356 481 M HN 0.181 nan 8.290 nan 0.000 0.432 482 I N 0.096 120.596 120.570 -0.118 0.000 2.113 482 I HA -0.373 3.799 4.170 0.005 0.000 0.242 482 I C 2.288 178.383 176.117 -0.037 0.000 1.064 482 I CA 1.741 63.047 61.300 0.011 0.000 1.320 482 I CB -0.777 37.242 38.000 0.031 0.000 1.028 482 I HN 0.341 nan 8.210 nan 0.000 0.406 483 T N 0.659 115.171 114.554 -0.071 0.000 2.684 483 T HA -0.197 4.156 4.350 0.005 0.000 0.267 483 T C 1.992 176.657 174.700 -0.058 0.000 1.036 483 T CA 1.551 63.619 62.100 -0.053 0.000 1.148 483 T CB -0.397 68.442 68.868 -0.048 0.000 0.863 483 T HN 0.521 nan 8.240 nan 0.000 0.436 484 A N 1.094 123.841 122.820 -0.123 0.000 1.898 484 A HA 0.023 4.346 4.320 0.005 0.000 0.216 484 A C 1.867 179.482 177.584 0.052 0.000 1.181 484 A CA 1.274 53.277 52.037 -0.057 0.000 0.620 484 A CB -0.766 18.185 19.000 -0.081 0.000 0.819 484 A HN 0.465 nan 8.150 nan 0.000 0.442 485 F N -0.387 119.618 119.950 0.091 0.000 2.456 485 F HA 0.283 4.813 4.527 0.005 0.000 0.298 485 F C 1.931 177.690 175.800 -0.069 0.000 1.104 485 F CA -0.077 57.945 58.000 0.036 0.000 1.435 485 F CB -1.236 37.847 39.000 0.139 0.000 1.078 485 F HN 0.340 nan 8.300 nan 0.000 0.546 486 G N 0.910 109.763 108.800 0.089 0.000 2.350 486 G HA2 -0.281 3.682 3.960 0.005 0.000 0.298 486 G HA3 -0.281 3.682 3.960 0.005 0.000 0.298 486 G C 0.803 175.663 174.900 -0.066 0.000 1.037 486 G CA 0.813 45.909 45.100 -0.008 0.000 1.074 486 G HN 0.533 nan 8.290 nan 0.000 0.511 487 T N -3.503 111.003 114.554 -0.079 0.000 2.954 487 T HA 0.568 4.921 4.350 0.005 0.000 0.252 487 T C 1.977 176.566 174.700 -0.186 0.000 0.983 487 T CA 1.386 63.314 62.100 -0.287 0.000 0.941 487 T CB 0.870 69.352 68.868 -0.644 0.000 1.141 487 T HN 2.386 nan 8.240 nan 0.000 0.500 488 G N 2.421 111.211 108.800 -0.016 0.000 2.632 488 G HA2 0.087 4.050 3.960 0.005 0.000 0.224 488 G HA3 0.087 4.050 3.960 0.005 0.000 0.224 488 G C -0.663 174.353 174.900 0.194 0.000 1.341 488 G CA -0.240 44.897 45.100 0.063 0.000 0.880 488 G HN 1.283 nan 8.290 nan 0.000 0.566 489 I N -2.738 117.971 120.570 0.233 0.000 3.149 489 I HA 0.772 4.945 4.170 0.005 0.000 0.310 489 I C 1.298 177.574 176.117 0.265 0.000 1.343 489 I CA 0.261 61.761 61.300 0.334 0.000 0.955 489 I CB 0.624 38.818 38.000 0.324 0.000 1.309 489 I HN 2.633 nan 8.210 nan 0.000 0.478 490 G N 2.160 111.097 108.800 0.228 0.000 2.675 490 G HA2 -0.271 3.692 3.960 0.005 0.000 0.312 490 G HA3 -0.271 3.692 3.960 0.005 0.000 0.312 490 G C 0.731 175.669 174.900 0.063 0.000 1.186 490 G CA 1.108 46.270 45.100 0.104 0.000 0.965 490 G HN 1.714 nan 8.290 nan 0.000 0.548 491 G N -0.625 108.219 108.800 0.074 0.000 2.939 491 G HA2 0.412 4.375 3.960 0.005 0.000 0.216 491 G HA3 0.412 4.375 3.960 0.005 0.000 0.216 491 G C 0.764 175.717 174.900 0.090 0.000 1.125 491 G CA 1.360 46.496 45.100 0.060 0.000 0.766 491 G HN 0.544 nan 8.290 nan 0.000 0.541 492 D N -0.129 120.337 120.400 0.110 0.000 2.358 492 D HA 0.209 4.852 4.640 0.005 0.000 0.224 492 D C 0.230 176.598 176.300 0.114 0.000 1.123 492 D CA -0.634 53.420 54.000 0.090 0.000 0.833 492 D CB 0.150 40.989 40.800 0.065 0.000 0.946 492 D HN 0.215 nan 8.370 nan 0.000 0.505 493 F N 1.387 121.340 119.950 0.005 0.000 2.539 493 F HA 0.218 4.748 4.527 0.005 0.000 0.340 493 F C 0.251 176.039 175.800 -0.021 0.000 1.185 493 F CA 0.325 58.322 58.000 -0.004 0.000 1.333 493 F CB 0.681 39.667 39.000 -0.023 0.000 1.152 493 F HN -0.197 nan 8.300 nan 0.000 0.602 494 D N 4.372 124.393 120.400 -0.631 0.000 2.312 494 D HA 0.087 4.729 4.640 0.005 0.000 0.229 494 D C -0.089 175.875 176.300 -0.560 0.000 1.337 494 D CA -0.426 53.357 54.000 -0.362 0.000 0.964 494 D CB 0.691 41.377 40.800 -0.190 0.000 1.456 494 D HN 0.453 nan 8.370 nan 0.000 0.547 495 L N 3.289 124.296 121.223 -0.361 0.000 2.549 495 L HA 0.260 4.603 4.340 0.005 0.000 0.229 495 L C 1.829 178.569 176.870 -0.217 0.000 1.158 495 L CA 1.862 56.522 54.840 -0.300 0.000 0.842 495 L CB -0.596 41.436 42.059 -0.045 0.000 0.952 495 L HN 0.483 nan 8.230 nan 0.000 0.452 496 A N -0.618 122.118 122.820 -0.140 0.000 1.873 496 A HA -0.208 4.115 4.320 0.005 0.000 0.215 496 A C 2.142 179.693 177.584 -0.055 0.000 1.186 496 A CA 1.428 53.427 52.037 -0.064 0.000 0.616 496 A CB -0.398 18.576 19.000 -0.042 0.000 0.823 496 A HN 0.388 nan 8.150 nan 0.000 0.442 497 K N 0.424 120.759 120.400 -0.108 0.000 2.862 497 K HA 0.421 4.744 4.320 0.005 0.000 0.229 497 K C -0.141 176.403 176.600 -0.094 0.000 1.107 497 K CA 0.022 56.258 56.287 -0.084 0.000 1.222 497 K CB -0.399 32.046 32.500 -0.091 0.000 1.067 497 K HN 0.410 nan 8.250 nan 0.000 0.464 498 A N 1.251 124.026 122.820 -0.075 0.000 2.328 498 A HA 0.223 4.546 4.320 0.005 0.000 0.284 498 A C 0.870 178.461 177.584 0.011 0.000 1.160 498 A CA -0.605 51.404 52.037 -0.046 0.000 0.818 498 A CB 0.582 19.532 19.000 -0.083 0.000 1.087 498 A HN 0.376 nan 8.150 nan 0.000 0.504 499 R N 1.219 121.651 120.500 -0.113 0.000 2.075 499 R HA -0.062 4.281 4.340 0.005 0.000 0.232 499 R C -0.437 175.682 176.300 -0.302 0.000 1.126 499 R CA 1.429 57.331 56.100 -0.330 0.000 0.963 499 R CB -0.428 29.458 30.300 -0.690 0.000 0.858 499 R HN 0.790 nan 8.270 nan 0.000 0.435 500 Y N -1.160 119.274 120.300 0.224 0.000 2.485 500 Y HA 0.346 4.899 4.550 0.005 0.000 0.345 500 Y C 1.042 177.175 175.900 0.387 0.000 0.998 500 Y CA -0.830 57.398 58.100 0.212 0.000 1.059 500 Y CB 1.663 40.227 38.460 0.174 0.000 1.234 500 Y HN -0.009 nan 8.280 nan 0.000 0.461 501 H N 1.098 120.324 119.070 0.261 0.000 2.505 501 H HA 0.285 4.844 4.556 0.005 0.000 0.289 501 H C -0.719 174.574 175.328 -0.058 0.000 1.052 501 H CA -0.109 56.007 56.048 0.112 0.000 1.156 501 H CB 0.440 30.124 29.762 -0.130 0.000 1.507 501 H HN 0.437 nan 8.280 nan 0.000 0.548 502 K N 1.536 122.025 120.400 0.148 0.000 2.695 502 K HA 0.222 4.545 4.320 0.005 0.000 0.255 502 K C -1.536 175.036 176.600 -0.046 0.000 1.016 502 K CA -0.543 55.719 56.287 -0.042 0.000 0.928 502 K CB 1.876 34.210 32.500 -0.277 0.000 1.235 502 K HN -0.023 nan 8.250 nan 0.000 0.467 503 I N 3.677 124.232 120.570 -0.025 0.000 2.310 503 I HA 0.115 4.287 4.170 0.005 0.000 0.287 503 I C -0.154 175.943 176.117 -0.034 0.000 1.073 503 I CA -0.532 60.730 61.300 -0.064 0.000 1.216 503 I CB 1.105 38.941 38.000 -0.274 0.000 1.415 503 I HN 0.205 nan 8.210 nan 0.000 0.480 504 V N 6.960 126.788 119.914 -0.143 0.000 2.649 504 V HA 0.306 4.429 4.120 0.005 0.000 0.292 504 V C 0.451 176.580 176.094 0.058 0.000 1.055 504 V CA -0.482 61.728 62.300 -0.150 0.000 1.023 504 V CB 1.343 32.796 31.823 -0.618 0.000 0.992 504 V HN 0.394 nan 8.190 nan 0.000 0.480 505 I N 4.746 125.399 120.570 0.137 0.000 2.412 505 I HA 0.361 4.534 4.170 0.005 0.000 0.279 505 I C -0.070 176.167 176.117 0.200 0.000 1.063 505 I CA 0.151 61.582 61.300 0.218 0.000 1.193 505 I CB 0.790 38.950 38.000 0.267 0.000 1.370 505 I HN 0.585 nan 8.210 nan 0.000 0.479 506 M N 6.982 126.718 119.600 0.227 0.000 2.152 506 M HA 0.310 4.792 4.480 0.005 0.000 0.354 506 M C -0.287 176.136 176.300 0.206 0.000 1.173 506 M CA -0.246 55.199 55.300 0.242 0.000 1.110 506 M CB 0.507 33.310 32.600 0.340 0.000 1.366 506 M HN 0.514 nan 8.290 nan 0.000 0.415 507 T N 0.096 114.759 114.554 0.182 0.000 2.888 507 T HA 0.482 4.835 4.350 0.005 0.000 0.284 507 T C -0.338 174.453 174.700 0.151 0.000 1.017 507 T CA -1.158 61.035 62.100 0.156 0.000 1.022 507 T CB 1.153 70.107 68.868 0.144 0.000 1.013 507 T HN 0.451 nan 8.240 nan 0.000 0.465 508 D N 0.953 121.433 120.400 0.132 0.000 2.515 508 D HA 0.232 4.875 4.640 0.005 0.000 0.230 508 D C 1.202 177.582 176.300 0.134 0.000 1.181 508 D CA 0.301 54.375 54.000 0.124 0.000 0.875 508 D CB 0.295 41.157 40.800 0.103 0.000 1.213 508 D HN 0.781 nan 8.370 nan 0.000 0.478 509 A N 1.501 124.398 122.820 0.128 0.000 2.218 509 A HA -0.004 4.319 4.320 0.005 0.000 0.209 509 A C 0.662 178.334 177.584 0.146 0.000 1.168 509 A CA 0.246 52.373 52.037 0.149 0.000 0.804 509 A CB -0.314 18.768 19.000 0.136 0.000 0.834 509 A HN 0.636 nan 8.150 nan 0.000 0.482 510 D N -0.390 120.083 120.400 0.122 0.000 2.398 510 D HA 0.137 4.779 4.640 0.005 0.000 0.247 510 D C 1.617 178.013 176.300 0.161 0.000 1.227 510 D CA 0.381 54.461 54.000 0.134 0.000 0.980 510 D CB 0.168 41.031 40.800 0.105 0.000 1.106 510 D HN 0.320 nan 8.370 nan 0.000 0.493 511 V N -1.475 118.545 119.914 0.177 0.000 2.324 511 V HA -0.269 3.853 4.120 0.005 0.000 0.250 511 V C 1.489 177.744 176.094 0.268 0.000 1.060 511 V CA 2.134 64.564 62.300 0.216 0.000 1.042 511 V CB -0.827 31.110 31.823 0.190 0.000 0.650 511 V HN 0.515 nan 8.190 nan 0.000 0.450 512 D N 1.260 121.799 120.400 0.231 0.000 2.263 512 D HA -0.069 4.574 4.640 0.005 0.000 0.208 512 D C 2.169 178.537 176.300 0.112 0.000 0.971 512 D CA 1.577 55.691 54.000 0.190 0.000 0.867 512 D CB -0.203 40.678 40.800 0.134 0.000 0.929 512 D HN 0.650 nan 8.370 nan 0.000 0.492 513 G N 1.189 110.066 108.800 0.128 0.000 2.422 513 G HA2 -0.123 3.840 3.960 0.005 0.000 0.218 513 G HA3 -0.123 3.840 3.960 0.005 0.000 0.218 513 G C 1.728 176.694 174.900 0.109 0.000 1.140 513 G CA 0.791 45.961 45.100 0.118 0.000 0.775 513 G HN 0.344 nan 8.290 nan 0.000 0.545 514 A N -0.231 122.656 122.820 0.112 0.000 1.970 514 A HA 0.001 4.324 4.320 0.005 0.000 0.216 514 A C 2.096 179.679 177.584 -0.001 0.000 1.170 514 A CA 1.593 53.682 52.037 0.087 0.000 0.645 514 A CB -0.620 18.452 19.000 0.121 0.000 0.816 514 A HN 0.451 nan 8.150 nan 0.000 0.447 515 H N 0.198 119.111 119.070 -0.262 0.000 2.462 515 H HA 0.048 4.607 4.556 0.005 0.000 0.292 515 H C 1.751 176.939 175.328 -0.234 0.000 1.049 515 H CA 1.262 56.986 56.048 -0.540 0.000 1.334 515 H CB -0.080 28.870 29.762 -1.352 0.000 1.404 515 H HN 0.454 nan 8.280 nan 0.000 0.544 516 I N 0.313 120.942 120.570 0.099 0.000 2.090 516 I HA -0.290 3.883 4.170 0.005 0.000 0.236 516 I C 2.819 178.990 176.117 0.089 0.000 1.064 516 I CA 1.138 62.505 61.300 0.113 0.000 1.324 516 I CB -0.427 37.634 38.000 0.101 0.000 1.044 516 I HN 0.158 nan 8.210 nan 0.000 0.399 517 R N 0.670 121.230 120.500 0.100 0.000 2.224 517 R HA -0.308 4.035 4.340 0.005 0.000 0.251 517 R C 2.421 178.791 176.300 0.118 0.000 1.123 517 R CA 3.402 59.578 56.100 0.127 0.000 0.944 517 R CB -0.818 29.552 30.300 0.118 0.000 0.910 517 R HN 0.628 nan 8.270 nan 0.000 0.440 518 T N -1.162 113.425 114.554 0.054 0.000 2.759 518 T HA -0.155 4.197 4.350 0.005 0.000 0.269 518 T C 1.946 176.695 174.700 0.081 0.000 1.042 518 T CA 1.695 63.824 62.100 0.048 0.000 1.140 518 T CB -0.425 68.437 68.868 -0.011 0.000 0.864 518 T HN 0.251 nan 8.240 nan 0.000 0.455 519 L N 0.196 121.445 121.223 0.044 0.000 2.027 519 L HA 0.061 4.404 4.340 0.005 0.000 0.206 519 L C 2.891 179.843 176.870 0.137 0.000 1.074 519 L CA 1.105 55.998 54.840 0.089 0.000 0.745 519 L CB -0.719 41.386 42.059 0.077 0.000 0.898 519 L HN 0.213 nan 8.230 nan 0.000 0.433 520 L N -0.421 120.871 121.223 0.116 0.000 1.989 520 L HA -0.269 4.074 4.340 0.005 0.000 0.211 520 L C 2.585 179.520 176.870 0.108 0.000 1.071 520 L CA 1.435 56.312 54.840 0.062 0.000 0.749 520 L CB -0.533 41.596 42.059 0.117 0.000 0.890 520 L HN 0.211 nan 8.230 nan 0.000 0.431 521 L N -1.029 120.375 121.223 0.302 0.000 2.012 521 L HA -0.262 4.081 4.340 0.005 0.000 0.210 521 L C 2.627 179.752 176.870 0.424 0.000 1.073 521 L CA 1.732 56.832 54.840 0.432 0.000 0.748 521 L CB -0.896 41.357 42.059 0.325 0.000 0.891 521 L HN 0.290 nan 8.230 nan 0.000 0.431 522 T N -0.079 114.705 114.554 0.383 0.000 2.570 522 T HA -0.302 4.050 4.350 0.005 0.000 0.266 522 T C 1.561 176.402 174.700 0.236 0.000 1.071 522 T CA 2.169 64.487 62.100 0.363 0.000 1.172 522 T CB -0.538 68.501 68.868 0.285 0.000 0.864 522 T HN 0.334 nan 8.240 nan 0.000 0.421 523 F N 1.342 121.358 119.950 0.110 0.000 2.063 523 F HA -0.154 4.376 4.527 0.005 0.000 0.298 523 F C 1.934 177.862 175.800 0.214 0.000 1.109 523 F CA 1.258 59.335 58.000 0.128 0.000 1.212 523 F CB -1.071 37.896 39.000 -0.055 0.000 0.973 523 F HN 0.219 nan 8.300 nan 0.000 0.480 524 F N -1.112 118.709 119.950 -0.214 0.000 2.091 524 F HA -0.312 4.218 4.527 0.005 0.000 0.299 524 F C 2.460 178.129 175.800 -0.218 0.000 1.103 524 F CA 1.709 59.509 58.000 -0.333 0.000 1.228 524 F CB -0.910 38.065 39.000 -0.041 0.000 0.984 524 F HN 0.148 nan 8.300 nan 0.000 0.477 525 Y N 1.079 121.366 120.300 -0.022 0.000 2.089 525 Y HA -0.189 4.363 4.550 0.005 0.000 0.282 525 Y C 2.450 178.156 175.900 -0.325 0.000 1.139 525 Y CA 1.485 59.464 58.100 -0.201 0.000 1.123 525 Y CB -0.230 37.998 38.460 -0.387 0.000 0.980 525 Y HN -0.218 nan 8.280 nan 0.000 0.493 526 R N -0.746 119.613 120.500 -0.236 0.000 2.285 526 R HA -0.081 4.261 4.340 0.005 0.000 0.213 526 R C 1.149 176.976 176.300 -0.789 0.000 1.068 526 R CA 1.163 56.964 56.100 -0.499 0.000 1.004 526 R CB -0.566 29.441 30.300 -0.488 0.000 0.873 526 R HN 0.442 nan 8.270 nan 0.000 0.467 527 F N -1.391 118.420 119.950 -0.231 0.000 2.421 527 F HA 0.261 4.791 4.527 0.005 0.000 0.270 527 F C 1.136 176.798 175.800 -0.229 0.000 0.894 527 F CA -0.152 57.747 58.000 -0.169 0.000 1.128 527 F CB 0.094 39.060 39.000 -0.057 0.000 1.011 527 F HN -0.227 nan 8.300 nan 0.000 0.788 528 M N 1.222 120.766 119.600 -0.092 0.000 3.462 528 M HA 0.246 4.729 4.480 0.005 0.000 0.219 528 M C 1.277 177.332 176.300 -0.409 0.000 1.207 528 M CA -0.002 55.171 55.300 -0.212 0.000 1.284 528 M CB 0.486 33.136 32.600 0.084 0.000 1.160 528 M HN 0.073 nan 8.290 nan 0.000 0.598 529 R N 2.188 122.360 120.500 -0.546 0.000 2.062 529 R HA -0.040 4.303 4.340 0.005 0.000 0.231 529 R C -0.663 175.345 176.300 -0.486 0.000 1.136 529 R CA 1.559 57.321 56.100 -0.565 0.000 0.948 529 R CB -0.707 29.189 30.300 -0.673 0.000 0.845 529 R HN 0.267 nan 8.270 nan 0.000 0.430 530 P HA -0.138 nan 4.420 nan 0.000 0.231 530 P C 1.111 178.221 177.300 -0.317 0.000 1.158 530 P CA 0.831 63.670 63.100 -0.434 0.000 0.763 530 P CB 0.049 31.447 31.700 -0.503 0.000 0.805 531 L N -0.286 120.725 121.223 -0.353 0.000 2.162 531 L HA 0.021 4.364 4.340 0.005 0.000 0.205 531 L C 2.388 179.166 176.870 -0.153 0.000 1.086 531 L CA 1.316 56.031 54.840 -0.207 0.000 0.778 531 L CB -0.869 41.100 42.059 -0.151 0.000 0.928 531 L HN -0.239 nan 8.230 nan 0.000 0.446 532 I N -0.655 119.815 120.570 -0.167 0.000 2.286 532 I HA -0.232 3.940 4.170 0.005 0.000 0.248 532 I C 2.321 178.400 176.117 -0.063 0.000 1.115 532 I CA 1.280 62.517 61.300 -0.105 0.000 1.392 532 I CB -0.614 37.365 38.000 -0.034 0.000 1.065 532 I HN 0.293 nan 8.210 nan 0.000 0.418 533 E N 1.300 121.455 120.200 -0.074 0.000 2.051 533 E HA -0.170 4.183 4.350 0.005 0.000 0.192 533 E C 2.274 178.864 176.600 -0.016 0.000 0.991 533 E CA 1.265 57.636 56.400 -0.049 0.000 0.799 533 E CB -0.198 29.457 29.700 -0.074 0.000 0.748 533 E HN 0.519 nan 8.360 nan 0.000 0.449 534 A N 0.274 123.100 122.820 0.010 0.000 2.248 534 A HA 0.076 4.399 4.320 0.005 0.000 0.210 534 A C 1.655 179.350 177.584 0.185 0.000 1.174 534 A CA 1.035 53.141 52.037 0.116 0.000 0.750 534 A CB -0.679 18.412 19.000 0.150 0.000 0.780 534 A HN 0.394 nan 8.150 nan 0.000 0.478 535 G N -2.502 106.347 108.800 0.081 0.000 2.153 535 G HA2 -0.364 3.598 3.960 0.005 0.000 0.252 535 G HA3 -0.364 3.598 3.960 0.005 0.000 0.252 535 G C 0.543 175.451 174.900 0.014 0.000 0.994 535 G CA 0.706 45.795 45.100 -0.018 0.000 0.698 535 G HN 0.612 nan 8.290 nan 0.000 0.521 536 Y N -0.412 119.836 120.300 -0.088 0.000 2.337 536 Y HA 0.205 4.758 4.550 0.005 0.000 0.293 536 Y C 2.063 177.960 175.900 -0.005 0.000 1.123 536 Y CA 0.621 58.704 58.100 -0.028 0.000 1.201 536 Y CB 0.330 38.724 38.460 -0.109 0.000 1.011 536 Y HN 0.224 nan 8.280 nan 0.000 0.545 537 V N 0.376 120.282 119.914 -0.013 0.000 2.775 537 V HA -0.003 4.119 4.120 0.005 0.000 0.299 537 V C -0.668 175.376 176.094 -0.082 0.000 1.062 537 V CA -0.158 62.053 62.300 -0.148 0.000 1.063 537 V CB 0.462 32.076 31.823 -0.349 0.000 0.994 537 V HN 0.066 nan 8.190 nan 0.000 0.483 538 Y N 2.325 122.547 120.300 -0.130 0.000 2.677 538 Y HA 0.674 5.226 4.550 0.005 0.000 0.334 538 Y C -0.215 175.665 175.900 -0.033 0.000 1.154 538 Y CA -0.862 57.188 58.100 -0.084 0.000 1.070 538 Y CB 2.021 40.408 38.460 -0.121 0.000 1.294 538 Y HN 0.358 nan 8.280 nan 0.000 0.475 539 I N 1.673 122.339 120.570 0.159 0.000 2.499 539 I HA 0.616 4.789 4.170 0.005 0.000 0.288 539 I C -0.699 175.495 176.117 0.129 0.000 1.048 539 I CA -0.852 60.524 61.300 0.126 0.000 1.062 539 I CB 1.733 39.782 38.000 0.083 0.000 1.238 539 I HN 0.676 nan 8.210 nan 0.000 0.426 540 A N 5.665 128.563 122.820 0.130 0.000 2.264 540 A HA 0.673 4.996 4.320 0.005 0.000 0.304 540 A C -0.521 177.150 177.584 0.145 0.000 1.100 540 A CA -0.371 51.750 52.037 0.140 0.000 0.839 540 A CB 0.854 19.967 19.000 0.190 0.000 1.121 540 A HN 0.744 nan 8.150 nan 0.000 0.496 541 Q N 0.697 120.587 119.800 0.150 0.000 2.891 541 Q HA 0.332 4.675 4.340 0.005 0.000 0.242 541 Q C -2.745 173.463 176.000 0.347 0.000 0.959 541 Q CA -1.499 54.405 55.803 0.169 0.000 0.707 541 Q CB 1.908 30.634 28.738 -0.021 0.000 1.283 541 Q HN 0.482 nan 8.270 nan 0.000 0.480 542 P HA 0.351 nan 4.420 nan 0.000 0.296 542 P C -2.545 174.893 177.300 0.230 0.000 1.301 542 P CA -1.841 61.441 63.100 0.302 0.000 0.862 542 P CB 0.877 32.695 31.700 0.195 0.000 1.046 543 P HA 0.135 nan 4.420 nan 0.000 0.274 543 P C -0.237 176.758 177.300 -0.508 0.000 1.256 543 P CA -0.097 62.511 63.100 -0.819 0.000 0.795 543 P CB 0.769 31.999 31.700 -0.783 0.000 1.038 544 L N -0.719 120.235 121.223 -0.448 0.000 3.086 544 L HA 0.409 4.752 4.340 0.005 0.000 0.274 544 L C -0.820 175.852 176.870 -0.328 0.000 1.184 544 L CA 0.099 54.806 54.840 -0.221 0.000 1.002 544 L CB 0.030 42.104 42.059 0.025 0.000 1.383 544 L HN 0.265 nan 8.230 nan 0.000 0.582 545 Y N -0.972 119.116 120.300 -0.354 0.000 2.677 545 Y HA 0.415 4.968 4.550 0.004 0.000 0.334 545 Y C -0.555 175.089 175.900 -0.426 0.000 1.196 545 Y CA -1.487 56.493 58.100 -0.201 0.000 1.059 545 Y CB 1.217 39.628 38.460 -0.082 0.000 1.315 545 Y HN -0.188 nan 8.280 nan 0.000 0.455 546 K N 2.673 123.041 120.400 -0.054 0.000 2.803 546 K HA 0.274 4.597 4.320 0.005 0.000 0.229 546 K C -1.871 174.745 176.600 0.027 0.000 1.084 546 K CA -0.410 55.757 56.287 -0.199 0.000 1.063 546 K CB 0.786 33.091 32.500 -0.325 0.000 1.254 546 K HN 0.638 nan 8.250 nan 0.000 0.551 547 L N 3.126 124.399 121.223 0.084 0.000 2.453 547 L HA 0.288 4.631 4.340 0.005 0.000 0.272 547 L C -0.707 176.206 176.870 0.072 0.000 1.182 547 L CA 1.211 56.123 54.840 0.120 0.000 0.858 547 L CB 1.076 43.194 42.059 0.099 0.000 1.120 547 L HN 0.681 nan 8.230 nan 0.000 0.474 548 T N 5.250 119.855 114.554 0.084 0.000 2.876 548 T HA 0.351 4.704 4.350 0.005 0.000 0.289 548 T C -0.084 174.651 174.700 0.057 0.000 1.014 548 T CA -0.391 61.726 62.100 0.027 0.000 0.986 548 T CB 1.961 70.853 68.868 0.041 0.000 1.021 548 T HN 0.614 nan 8.240 nan 0.000 0.458 549 Q N 1.247 121.044 119.800 -0.005 0.000 2.706 549 Q HA 0.432 4.775 4.340 0.005 0.000 0.335 549 Q C 0.584 176.592 176.000 0.014 0.000 0.796 549 Q CA 0.147 55.971 55.803 0.034 0.000 1.046 549 Q CB -0.227 28.515 28.738 0.008 0.000 1.448 549 Q HN 1.165 nan 8.270 nan 0.000 0.385 550 G N 1.438 110.248 108.800 0.016 0.000 3.110 550 G HA2 -0.289 3.674 3.960 0.005 0.000 0.238 550 G HA3 -0.289 3.674 3.960 0.005 0.000 0.238 550 G C 0.334 175.224 174.900 -0.016 0.000 1.647 550 G CA 0.111 45.215 45.100 0.006 0.000 1.146 550 G HN 0.312 nan 8.290 nan 0.000 0.545 551 K N 1.270 121.650 120.400 -0.034 0.000 2.354 551 K HA 0.218 4.541 4.320 0.005 0.000 0.194 551 K C 0.395 176.936 176.600 -0.099 0.000 1.038 551 K CA 0.014 56.273 56.287 -0.047 0.000 1.052 551 K CB 0.312 32.792 32.500 -0.034 0.000 0.861 551 K HN 0.427 nan 8.250 nan 0.000 0.535 552 Q N 2.921 122.634 119.800 -0.145 0.000 2.286 552 Q HA 0.046 4.389 4.340 0.005 0.000 0.267 552 Q C -0.426 175.324 176.000 -0.416 0.000 1.028 552 Q CA 0.548 56.157 55.803 -0.323 0.000 0.901 552 Q CB 0.564 29.100 28.738 -0.337 0.000 1.183 552 Q HN 0.224 nan 8.270 nan 0.000 0.392 553 K N 2.026 122.148 120.400 -0.464 0.000 2.345 553 K HA 0.582 4.905 4.320 0.005 0.000 0.255 553 K C -1.112 175.276 176.600 -0.353 0.000 0.934 553 K CA -0.745 55.364 56.287 -0.297 0.000 0.801 553 K CB 1.351 33.842 32.500 -0.015 0.000 1.137 553 K HN 0.363 nan 8.250 nan 0.000 0.424 554 Y N 0.938 121.328 120.300 0.150 0.000 2.468 554 Y HA 0.349 4.902 4.550 0.004 0.000 0.342 554 Y C -0.770 175.321 175.900 0.319 0.000 1.021 554 Y CA -1.149 57.057 58.100 0.177 0.000 1.079 554 Y CB 2.153 40.631 38.460 0.029 0.000 1.226 554 Y HN 0.474 nan 8.280 nan 0.000 0.460 555 Y N 1.766 122.151 120.300 0.142 0.000 2.447 555 Y HA 0.489 5.042 4.550 0.005 0.000 0.325 555 Y C -0.736 175.197 175.900 0.054 0.000 0.976 555 Y CA -1.070 57.042 58.100 0.020 0.000 1.280 555 Y CB 1.327 39.790 38.460 0.006 0.000 1.104 555 Y HN 0.244 nan 8.280 nan 0.000 0.486 556 V N 4.126 124.077 119.914 0.063 0.000 2.439 556 V HA 0.093 4.215 4.120 0.005 0.000 0.282 556 V C -0.305 175.810 176.094 0.035 0.000 1.039 556 V CA -0.460 61.895 62.300 0.091 0.000 0.913 556 V CB 1.021 32.821 31.823 -0.038 0.000 0.983 556 V HN 0.683 nan 8.190 nan 0.000 0.460 557 Y N 3.407 123.777 120.300 0.115 0.000 2.485 557 Y HA 0.271 4.824 4.550 0.005 0.000 0.260 557 Y C 0.773 176.774 175.900 0.169 0.000 1.173 557 Y CA -0.561 57.625 58.100 0.143 0.000 1.252 557 Y CB 0.067 38.592 38.460 0.109 0.000 1.123 557 Y HN 0.939 nan 8.280 nan 0.000 0.524 558 N N -3.214 115.640 118.700 0.257 0.000 3.322 558 N HA 0.034 4.777 4.740 0.005 0.000 0.233 558 N C -0.615 174.969 175.510 0.123 0.000 1.399 558 N CA -0.570 52.622 53.050 0.237 0.000 0.894 558 N CB 0.249 38.858 38.487 0.204 0.000 1.440 558 N HN -0.190 nan 8.380 nan 0.000 0.503 559 D N 0.094 120.586 120.400 0.153 0.000 2.190 559 D HA -0.114 4.529 4.640 0.005 0.000 0.200 559 D C 1.322 177.622 176.300 -0.001 0.000 0.992 559 D CA 1.676 55.710 54.000 0.056 0.000 0.854 559 D CB 0.052 40.930 40.800 0.130 0.000 0.936 559 D HN 0.501 nan 8.370 nan 0.000 0.462 560 R N 0.566 121.098 120.500 0.053 0.000 2.075 560 R HA -0.042 4.301 4.340 0.005 0.000 0.232 560 R C 2.103 178.421 176.300 0.031 0.000 1.126 560 R CA 1.037 57.176 56.100 0.065 0.000 0.963 560 R CB -0.182 30.198 30.300 0.133 0.000 0.858 560 R HN 0.298 nan 8.270 nan 0.000 0.435 561 E N 0.370 120.578 120.200 0.014 0.000 2.150 561 E HA -0.165 4.188 4.350 0.005 0.000 0.193 561 E C 1.786 178.338 176.600 -0.080 0.000 0.985 561 E CA 0.750 57.140 56.400 -0.017 0.000 0.814 561 E CB -0.047 29.663 29.700 0.017 0.000 0.752 561 E HN 0.129 nan 8.360 nan 0.000 0.466 562 L N 1.478 122.609 121.223 -0.153 0.000 2.109 562 L HA -0.137 4.206 4.340 0.005 0.000 0.207 562 L C 1.795 178.604 176.870 -0.101 0.000 1.086 562 L CA 1.826 56.535 54.840 -0.218 0.000 0.760 562 L CB -0.347 41.422 42.059 -0.484 0.000 0.910 562 L HN -0.040 nan 8.230 nan 0.000 0.437 563 D N -0.029 120.339 120.400 -0.053 0.000 2.108 563 D HA -0.312 4.331 4.640 0.005 0.000 0.190 563 D C 2.196 178.492 176.300 -0.007 0.000 0.995 563 D CA 2.037 56.036 54.000 -0.001 0.000 0.834 563 D CB -0.091 40.721 40.800 0.019 0.000 0.967 563 D HN 0.324 nan 8.370 nan 0.000 0.446 564 K N -0.525 119.862 120.400 -0.021 0.000 2.001 564 K HA -0.226 4.097 4.320 0.005 0.000 0.223 564 K C 2.203 178.762 176.600 -0.069 0.000 1.055 564 K CA 1.981 58.246 56.287 -0.036 0.000 0.965 564 K CB -0.919 31.553 32.500 -0.046 0.000 0.730 564 K HN 0.235 nan 8.250 nan 0.000 0.449 565 L N 1.199 122.351 121.223 -0.117 0.000 2.046 565 L HA -0.097 4.246 4.340 0.005 0.000 0.208 565 L C 2.229 178.971 176.870 -0.215 0.000 1.077 565 L CA 2.870 57.591 54.840 -0.199 0.000 0.747 565 L CB -1.258 40.648 42.059 -0.256 0.000 0.896 565 L HN 0.300 nan 8.230 nan 0.000 0.432 566 K N -1.094 119.232 120.400 -0.125 0.000 2.585 566 K HA 0.025 4.348 4.320 0.005 0.000 0.194 566 K C 2.020 178.714 176.600 0.156 0.000 1.037 566 K CA 1.257 57.539 56.287 -0.008 0.000 0.964 566 K CB -0.903 31.765 32.500 0.280 0.000 0.787 566 K HN 0.537 nan 8.250 nan 0.000 0.488 567 S N -0.671 115.050 115.700 0.035 0.000 2.733 567 S HA 0.073 4.545 4.470 0.005 0.000 0.247 567 S C 0.923 175.527 174.600 0.008 0.000 1.043 567 S CA -0.079 58.160 58.200 0.065 0.000 1.066 567 S CB 0.262 63.496 63.200 0.057 0.000 1.045 567 S HN 0.572 nan 8.310 nan 0.000 0.586 568 E N 0.911 121.075 120.200 -0.060 0.000 2.340 568 E HA 0.176 4.529 4.350 0.005 0.000 0.194 568 E C 0.271 176.822 176.600 -0.081 0.000 0.996 568 E CA 0.272 56.626 56.400 -0.077 0.000 0.869 568 E CB 0.162 29.790 29.700 -0.120 0.000 0.835 568 E HN 0.452 nan 8.360 nan 0.000 0.493 569 L N 2.934 124.089 121.223 -0.112 0.000 2.583 569 L HA 0.103 4.446 4.340 0.005 0.000 0.239 569 L C 1.262 178.143 176.870 0.019 0.000 1.347 569 L CA -0.256 54.524 54.840 -0.099 0.000 1.246 569 L CB -0.541 41.370 42.059 -0.247 0.000 1.496 569 L HN -0.011 nan 8.230 nan 0.000 0.413 570 N N 2.592 121.311 118.700 0.031 0.000 2.112 570 N HA -0.210 4.533 4.740 0.005 0.000 0.200 570 N C -0.651 174.910 175.510 0.086 0.000 1.011 570 N CA 2.137 55.224 53.050 0.061 0.000 0.891 570 N CB -0.578 37.931 38.487 0.036 0.000 1.060 570 N HN 0.249 nan 8.380 nan 0.000 0.478 571 P HA -0.139 nan 4.420 nan 0.000 0.218 571 P C -0.310 177.065 177.300 0.125 0.000 1.165 571 P CA 2.136 65.284 63.100 0.080 0.000 0.922 571 P CB -0.424 31.315 31.700 0.065 0.000 0.794 572 T N -1.594 113.079 114.554 0.199 0.000 3.032 572 T HA -0.090 4.262 4.350 0.005 0.000 0.453 572 T C -2.331 172.499 174.700 0.216 0.000 0.774 572 T CA 0.336 62.628 62.100 0.320 0.000 2.352 572 T CB -1.707 67.322 68.868 0.268 0.000 1.663 572 T HN 0.283 nan 8.240 nan 0.000 0.599 573 P HA 0.496 nan 4.420 nan 0.000 0.248 573 P C 0.379 177.796 177.300 0.196 0.000 1.708 573 P CA 0.629 63.823 63.100 0.158 0.000 1.062 573 P CB -0.071 31.700 31.700 0.119 0.000 1.562 574 K N -0.802 119.751 120.400 0.255 0.000 7.055 574 K HA -0.055 4.268 4.320 0.005 0.000 0.623 574 K C -0.810 176.067 176.600 0.461 0.000 2.571 574 K CA 0.279 56.675 56.287 0.182 0.000 1.982 574 K CB -2.327 30.211 32.500 0.064 0.000 2.344 574 K HN 0.194 nan 8.250 nan 0.000 0.202 575 W N 0.050 121.364 121.300 0.023 0.000 2.647 575 W HA 0.791 5.455 4.660 0.007 0.000 0.353 575 W C 0.612 177.142 176.519 0.018 0.000 1.080 575 W CA -1.233 56.130 57.345 0.030 0.000 1.208 575 W CB 1.877 31.363 29.460 0.043 0.000 1.396 575 W HN 1.020 nan 8.180 nan 0.000 0.573 576 S N 2.706 118.565 115.700 0.265 0.000 2.542 576 S HA 0.334 4.807 4.470 0.005 0.000 0.245 576 S C -0.785 173.913 174.600 0.163 0.000 1.325 576 S CA -0.500 57.789 58.200 0.149 0.000 1.176 576 S CB -0.335 62.919 63.200 0.090 0.000 1.045 576 S HN 0.395 nan 8.310 nan 0.000 0.481 577 I N 4.940 125.623 120.570 0.188 0.000 2.342 577 I HA 0.563 4.735 4.170 0.005 0.000 0.291 577 I C 0.625 176.828 176.117 0.143 0.000 1.010 577 I CA -0.075 61.345 61.300 0.200 0.000 1.308 577 I CB 0.968 39.139 38.000 0.284 0.000 1.400 577 I HN 0.643 nan 8.210 nan 0.000 0.488 578 A N 7.817 130.730 122.820 0.155 0.000 3.702 578 A HA 0.455 4.778 4.320 0.005 0.000 0.175 578 A C 0.565 178.208 177.584 0.098 0.000 1.741 578 A CA 0.458 52.566 52.037 0.119 0.000 0.912 578 A CB -0.055 19.085 19.000 0.234 0.000 1.154 578 A HN 0.897 nan 8.150 nan 0.000 0.420 579 R N -3.852 116.758 120.500 0.183 0.000 8.211 579 R HA -0.066 4.277 4.340 0.005 0.000 0.238 579 R C -2.477 173.858 176.300 0.058 0.000 0.840 579 R CA -0.172 55.930 56.100 0.003 0.000 1.974 579 R CB -1.276 28.892 30.300 -0.219 0.000 1.164 579 R HN 0.606 nan 8.270 nan 0.000 0.972 580 Y N 4.518 124.665 120.300 -0.254 0.000 2.511 580 Y HA 0.216 4.769 4.550 0.005 0.000 0.356 580 Y C 1.264 177.095 175.900 -0.115 0.000 1.002 580 Y CA -0.441 57.571 58.100 -0.147 0.000 1.127 580 Y CB 1.071 39.451 38.460 -0.133 0.000 1.137 580 Y HN 0.671 nan 8.280 nan 0.000 0.652 581 K N 0.158 120.538 120.400 -0.033 0.000 2.304 581 K HA -0.084 4.239 4.320 0.005 0.000 0.204 581 K C 0.788 177.396 176.600 0.013 0.000 1.044 581 K CA 1.647 57.908 56.287 -0.043 0.000 0.932 581 K CB 0.087 32.526 32.500 -0.103 0.000 0.735 581 K HN 0.683 nan 8.250 nan 0.000 0.468 582 G N -0.833 107.986 108.800 0.033 0.000 3.021 582 G HA2 0.405 4.368 3.960 0.005 0.000 0.290 582 G HA3 0.405 4.368 3.960 0.005 0.000 0.290 582 G C -0.076 174.876 174.900 0.087 0.000 1.291 582 G CA -0.696 44.435 45.100 0.052 0.000 0.834 582 G HN 0.065 nan 8.290 nan 0.000 0.564 583 L N -0.061 121.211 121.223 0.081 0.000 2.537 583 L HA 0.227 4.570 4.340 0.005 0.000 0.224 583 L C 2.749 179.660 176.870 0.070 0.000 1.065 583 L CA 0.847 55.747 54.840 0.099 0.000 0.860 583 L CB 0.320 42.437 42.059 0.096 0.000 1.086 583 L HN 0.684 nan 8.230 nan 0.000 0.482 584 G N -0.356 108.469 108.800 0.041 0.000 2.498 584 G HA2 -0.266 3.697 3.960 0.005 0.000 0.219 584 G HA3 -0.266 3.697 3.960 0.005 0.000 0.219 584 G C 1.238 176.134 174.900 -0.006 0.000 1.119 584 G CA 0.465 45.575 45.100 0.017 0.000 0.766 584 G HN 0.392 nan 8.290 nan 0.000 0.552 585 E N -0.404 119.784 120.200 -0.019 0.000 2.465 585 E HA 0.177 4.529 4.350 0.005 0.000 0.191 585 E C 0.590 177.098 176.600 -0.153 0.000 1.053 585 E CA -0.330 56.010 56.400 -0.100 0.000 0.869 585 E CB -0.021 29.588 29.700 -0.151 0.000 0.977 585 E HN 0.338 nan 8.360 nan 0.000 0.483 586 M N 1.332 120.929 119.600 -0.005 0.000 2.336 586 M HA 0.303 4.786 4.480 0.005 0.000 0.342 586 M C -0.254 176.084 176.300 0.063 0.000 1.128 586 M CA -0.928 54.422 55.300 0.083 0.000 1.016 586 M CB 1.330 34.105 32.600 0.291 0.000 1.665 586 M HN -0.159 nan 8.290 nan 0.000 0.445 587 N N 1.573 120.312 118.700 0.065 0.000 2.356 587 N HA -0.001 4.742 4.740 0.005 0.000 0.252 587 N C 0.632 176.193 175.510 0.086 0.000 1.241 587 N CA 0.165 53.251 53.050 0.061 0.000 0.861 587 N CB 0.813 39.340 38.487 0.068 0.000 1.075 587 N HN 0.835 nan 8.380 nan 0.000 0.461 588 A N 1.531 124.385 122.820 0.057 0.000 2.277 588 A HA -0.156 4.167 4.320 0.005 0.000 0.208 588 A C 1.046 178.684 177.584 0.089 0.000 1.202 588 A CA 1.090 53.163 52.037 0.060 0.000 0.762 588 A CB -0.325 18.685 19.000 0.017 0.000 0.770 588 A HN 0.759 nan 8.150 nan 0.000 0.487 589 D N -2.828 117.642 120.400 0.116 0.000 2.454 589 D HA -0.040 4.603 4.640 0.005 0.000 0.219 589 D C 1.571 178.006 176.300 0.225 0.000 1.081 589 D CA 0.111 54.214 54.000 0.172 0.000 0.867 589 D CB -0.427 40.446 40.800 0.121 0.000 1.054 589 D HN 0.180 nan 8.370 nan 0.000 0.500 590 Q N -0.062 119.855 119.800 0.195 0.000 2.226 590 Q HA 0.019 4.362 4.340 0.005 0.000 0.204 590 Q C 1.421 177.551 176.000 0.217 0.000 0.975 590 Q CA 0.636 56.569 55.803 0.216 0.000 0.866 590 Q CB 0.055 28.941 28.738 0.246 0.000 0.915 590 Q HN 0.324 nan 8.270 nan 0.000 0.440 591 L N -0.127 121.224 121.223 0.213 0.000 2.653 591 L HA 0.074 4.417 4.340 0.005 0.000 0.231 591 L C 1.219 178.233 176.870 0.239 0.000 1.153 591 L CA 0.242 55.198 54.840 0.194 0.000 0.933 591 L CB -0.025 42.129 42.059 0.158 0.000 1.175 591 L HN 0.288 nan 8.230 nan 0.000 0.473 592 W N -1.036 120.298 121.300 0.057 0.000 3.178 592 W HA 0.118 4.781 4.660 0.004 0.000 0.241 592 W C 0.924 177.500 176.519 0.096 0.000 1.122 592 W CA -0.027 57.343 57.345 0.042 0.000 1.595 592 W CB 0.568 30.040 29.460 0.019 0.000 0.918 592 W HN 0.083 nan 8.180 nan 0.000 0.700 593 E N 0.903 121.216 120.200 0.188 0.000 2.403 593 E HA -0.022 4.331 4.350 0.005 0.000 0.187 593 E C 1.206 177.846 176.600 0.068 0.000 1.073 593 E CA 1.202 57.676 56.400 0.123 0.000 0.888 593 E CB 0.038 29.855 29.700 0.194 0.000 1.035 593 E HN 0.269 nan 8.360 nan 0.000 0.471 594 T N -6.873 107.723 114.554 0.070 0.000 3.092 594 T HA 0.133 4.486 4.350 0.005 0.000 0.273 594 T C 1.247 176.005 174.700 0.097 0.000 0.898 594 T CA 0.175 62.319 62.100 0.072 0.000 0.868 594 T CB 0.449 69.422 68.868 0.175 0.000 1.228 594 T HN -0.039 nan 8.240 nan 0.000 0.555 595 T N 0.340 114.938 114.554 0.073 0.000 3.051 595 T HA 0.465 4.818 4.350 0.005 0.000 0.254 595 T C 1.254 176.001 174.700 0.078 0.000 0.916 595 T CA -0.149 62.018 62.100 0.112 0.000 0.894 595 T CB 0.259 69.229 68.868 0.170 0.000 1.251 595 T HN 0.128 nan 8.240 nan 0.000 0.517 596 M N 0.746 120.305 119.600 -0.068 0.000 2.393 596 M HA 0.306 4.789 4.480 0.005 0.000 0.270 596 M C 0.467 176.385 176.300 -0.638 0.000 1.127 596 M CA 0.079 55.300 55.300 -0.132 0.000 1.104 596 M CB 0.605 33.222 32.600 0.028 0.000 1.523 596 M HN 0.048 nan 8.290 nan 0.000 0.546 597 N N 3.574 121.615 118.700 -1.099 0.000 2.406 597 N HA 0.042 4.785 4.740 0.005 0.000 0.274 597 N C -1.855 173.267 175.510 -0.647 0.000 1.249 597 N CA -1.124 51.101 53.050 -1.374 0.000 0.951 597 N CB 0.894 38.621 38.487 -1.267 0.000 1.241 597 N HN 0.011 nan 8.380 nan 0.000 0.485 598 P HA -0.160 nan 4.420 nan 0.000 0.234 598 P C -0.111 177.057 177.300 -0.220 0.000 1.162 598 P CA 1.163 64.123 63.100 -0.233 0.000 0.759 598 P CB 0.009 31.631 31.700 -0.131 0.000 0.813 599 E N -1.602 118.392 120.200 -0.344 0.000 2.498 599 E HA 0.032 4.385 4.350 0.005 0.000 0.203 599 E C 0.602 177.034 176.600 -0.280 0.000 1.013 599 E CA -0.098 56.117 56.400 -0.308 0.000 0.927 599 E CB -0.295 29.215 29.700 -0.317 0.000 1.012 599 E HN 0.460 nan 8.360 nan 0.000 0.482 600 H N 0.690 119.675 119.070 -0.141 0.000 3.643 600 H HA 0.166 4.725 4.556 0.005 0.000 0.256 600 H C 0.161 175.427 175.328 -0.103 0.000 1.107 600 H CA -0.726 55.250 56.048 -0.120 0.000 1.175 600 H CB 0.691 30.367 29.762 -0.143 0.000 1.519 600 H HN -0.010 nan 8.280 nan 0.000 0.565 601 R N 1.838 122.328 120.500 -0.017 0.000 2.442 601 R HA 0.461 4.804 4.340 0.005 0.000 0.291 601 R C -0.123 176.176 176.300 -0.001 0.000 1.069 601 R CA 0.107 56.199 56.100 -0.013 0.000 1.022 601 R CB 0.710 30.985 30.300 -0.041 0.000 0.976 601 R HN 0.058 nan 8.270 nan 0.000 0.443 602 A N 6.294 129.118 122.820 0.006 0.000 3.135 602 A HA 0.204 4.526 4.320 0.005 0.000 0.253 602 A C 0.385 177.980 177.584 0.018 0.000 1.638 602 A CA -0.654 51.380 52.037 -0.006 0.000 1.295 602 A CB -0.301 18.671 19.000 -0.046 0.000 1.106 602 A HN 0.706 nan 8.150 nan 0.000 0.648 603 L N 0.981 122.232 121.223 0.047 0.000 2.410 603 L HA 0.183 4.526 4.340 0.005 0.000 0.273 603 L C -0.188 176.776 176.870 0.158 0.000 1.144 603 L CA 0.088 54.996 54.840 0.113 0.000 0.863 603 L CB 0.584 42.701 42.059 0.096 0.000 1.140 603 L HN 0.391 nan 8.230 nan 0.000 0.463 604 L N 4.254 125.549 121.223 0.120 0.000 2.264 604 L HA 0.325 4.668 4.340 0.005 0.000 0.289 604 L C 0.179 176.960 176.870 -0.149 0.000 1.044 604 L CA -0.344 54.500 54.840 0.007 0.000 0.807 604 L CB 1.331 43.382 42.059 -0.014 0.000 1.192 604 L HN 0.640 nan 8.230 nan 0.000 0.425 605 Q N 2.485 122.093 119.800 -0.319 0.000 2.286 605 Q HA 0.294 4.637 4.340 0.005 0.000 0.257 605 Q C -1.030 174.747 176.000 -0.371 0.000 0.941 605 Q CA -0.561 54.841 55.803 -0.669 0.000 0.912 605 Q CB 1.606 29.988 28.738 -0.594 0.000 1.192 605 Q HN 0.483 nan 8.270 nan 0.000 0.410 606 V N 5.675 125.364 119.914 -0.375 0.000 2.372 606 V HA 0.257 4.380 4.120 0.005 0.000 0.261 606 V C 0.062 176.069 176.094 -0.145 0.000 1.055 606 V CA -0.159 62.031 62.300 -0.183 0.000 0.930 606 V CB 0.515 32.262 31.823 -0.125 0.000 1.031 606 V HN 0.725 nan 8.190 nan 0.000 0.479 607 K N 3.474 123.814 120.400 -0.099 0.000 2.208 607 K HA 0.624 4.947 4.320 0.005 0.000 0.247 607 K C -1.189 175.398 176.600 -0.022 0.000 0.953 607 K CA -1.087 55.161 56.287 -0.065 0.000 0.837 607 K CB 2.288 34.748 32.500 -0.066 0.000 1.131 607 K HN 0.391 nan 8.250 nan 0.000 0.431 608 L N 2.837 124.059 121.223 -0.003 0.000 2.295 608 L HA 0.291 4.634 4.340 0.005 0.000 0.281 608 L C -0.922 175.959 176.870 0.019 0.000 1.018 608 L CA -0.015 54.844 54.840 0.033 0.000 0.841 608 L CB 0.964 43.063 42.059 0.067 0.000 1.218 608 L HN 0.441 nan 8.230 nan 0.000 0.424 609 E N 4.072 124.279 120.200 0.012 0.000 2.133 609 E HA 0.266 4.619 4.350 0.005 0.000 0.274 609 E C -0.985 175.621 176.600 0.011 0.000 0.930 609 E CA -0.129 56.273 56.400 0.004 0.000 0.770 609 E CB 1.153 30.848 29.700 -0.009 0.000 1.104 609 E HN 0.585 nan 8.360 nan 0.000 0.403 610 D N 2.895 123.304 120.400 0.015 0.000 3.830 610 D HA -0.181 4.462 4.640 0.005 0.000 0.247 610 D C 0.510 176.832 176.300 0.037 0.000 1.073 610 D CA 0.721 54.731 54.000 0.017 0.000 1.116 610 D CB -0.389 40.413 40.800 0.004 0.000 0.909 610 D HN 0.568 nan 8.370 nan 0.000 0.418 611 A N 3.445 126.299 122.820 0.057 0.000 2.019 611 A HA -0.158 4.165 4.320 0.005 0.000 0.219 611 A C 2.279 179.920 177.584 0.094 0.000 1.164 611 A CA 1.022 53.123 52.037 0.107 0.000 0.644 611 A CB -0.072 18.988 19.000 0.100 0.000 0.805 611 A HN 0.614 nan 8.150 nan 0.000 0.449 612 I N -0.245 120.356 120.570 0.051 0.000 2.439 612 I HA -0.142 4.031 4.170 0.005 0.000 0.251 612 I C 2.250 178.382 176.117 0.024 0.000 1.139 612 I CA 1.501 62.823 61.300 0.037 0.000 1.438 612 I CB -1.342 36.670 38.000 0.020 0.000 1.085 612 I HN 0.565 nan 8.210 nan 0.000 0.427 613 E N 1.342 121.549 120.200 0.011 0.000 2.230 613 E HA -0.069 4.283 4.350 0.005 0.000 0.192 613 E C 2.288 178.860 176.600 -0.045 0.000 0.987 613 E CA 0.815 57.206 56.400 -0.014 0.000 0.841 613 E CB 0.261 29.950 29.700 -0.019 0.000 0.783 613 E HN 0.375 nan 8.360 nan 0.000 0.481 614 A N 1.773 124.573 122.820 -0.033 0.000 1.858 614 A HA -0.213 4.110 4.320 0.005 0.000 0.216 614 A C 1.815 179.405 177.584 0.010 0.000 1.190 614 A CA 1.830 53.811 52.037 -0.093 0.000 0.617 614 A CB -0.603 18.366 19.000 -0.051 0.000 0.827 614 A HN 0.256 nan 8.150 nan 0.000 0.443 615 D N -0.471 119.973 120.400 0.073 0.000 2.265 615 D HA -0.150 4.493 4.640 0.005 0.000 0.208 615 D C 2.096 178.427 176.300 0.051 0.000 0.977 615 D CA 1.386 55.446 54.000 0.099 0.000 0.871 615 D CB -0.237 40.613 40.800 0.083 0.000 0.925 615 D HN 0.695 nan 8.370 nan 0.000 0.485 616 Q N -0.389 119.412 119.800 0.000 0.000 2.123 616 Q HA -0.020 4.323 4.340 0.005 0.000 0.196 616 Q C 2.168 178.120 176.000 -0.080 0.000 0.958 616 Q CA 1.039 56.826 55.803 -0.027 0.000 0.841 616 Q CB 0.009 28.732 28.738 -0.026 0.000 0.915 616 Q HN 0.156 nan 8.270 nan 0.000 0.455 617 T N 1.007 115.474 114.554 -0.146 0.000 2.708 617 T HA -0.135 4.218 4.350 0.005 0.000 0.266 617 T C 1.474 175.955 174.700 -0.364 0.000 1.037 617 T CA 1.261 63.192 62.100 -0.281 0.000 1.146 617 T CB -0.448 68.204 68.868 -0.359 0.000 0.865 617 T HN 0.152 nan 8.240 nan 0.000 0.435 618 F N 1.380 121.183 119.950 -0.245 0.000 2.091 618 F HA -0.121 4.409 4.527 0.005 0.000 0.299 618 F C 2.691 178.371 175.800 -0.201 0.000 1.103 618 F CA 1.242 59.100 58.000 -0.237 0.000 1.228 618 F CB -0.362 38.492 39.000 -0.243 0.000 0.984 618 F HN 0.078 nan 8.300 nan 0.000 0.477 619 E N 0.142 120.359 120.200 0.028 0.000 2.204 619 E HA -0.232 4.121 4.350 0.005 0.000 0.195 619 E C 2.040 178.583 176.600 -0.094 0.000 0.990 619 E CA 1.020 57.408 56.400 -0.020 0.000 0.821 619 E CB -0.296 29.398 29.700 -0.010 0.000 0.750 619 E HN 0.410 nan 8.360 nan 0.000 0.477 620 M N -1.125 118.371 119.600 -0.173 0.000 2.193 620 M HA 0.001 4.483 4.480 0.005 0.000 0.265 620 M C 1.144 177.210 176.300 -0.389 0.000 1.071 620 M CA 1.360 56.512 55.300 -0.246 0.000 1.140 620 M CB 0.250 32.682 32.600 -0.281 0.000 1.369 620 M HN 0.153 nan 8.290 nan 0.000 0.423 621 L N -1.814 119.091 121.223 -0.531 0.000 2.642 621 L HA 0.177 4.520 4.340 0.005 0.000 0.233 621 L C 1.400 177.957 176.870 -0.521 0.000 1.077 621 L CA -0.296 54.017 54.840 -0.878 0.000 0.879 621 L CB -0.109 41.079 42.059 -1.452 0.000 1.151 621 L HN 0.225 nan 8.230 nan 0.000 0.495 622 M N 0.059 119.514 119.600 -0.241 0.000 2.331 622 M HA 0.334 4.817 4.480 0.005 0.000 0.266 622 M C 1.089 177.387 176.300 -0.004 0.000 1.055 622 M CA -0.211 55.061 55.300 -0.046 0.000 1.048 622 M CB -0.465 32.167 32.600 0.053 0.000 1.460 622 M HN 0.045 nan 8.290 nan 0.000 0.519 623 G N 1.309 110.085 108.800 -0.039 0.000 2.539 623 G HA2 0.267 4.230 3.960 0.005 0.000 0.258 623 G HA3 0.267 4.230 3.960 0.005 0.000 0.258 623 G C 0.611 175.511 174.900 -0.000 0.000 1.202 623 G CA -0.296 44.796 45.100 -0.012 0.000 0.851 623 G HN 0.413 nan 8.290 nan 0.000 0.556 624 D N -0.007 120.402 120.400 0.015 0.000 2.149 624 D HA -0.176 4.467 4.640 0.005 0.000 0.198 624 D C 1.341 177.654 176.300 0.022 0.000 0.990 624 D CA 0.526 54.541 54.000 0.025 0.000 0.839 624 D CB -0.754 40.061 40.800 0.026 0.000 0.948 624 D HN 0.116 nan 8.370 nan 0.000 0.460 625 V N 2.309 122.229 119.914 0.010 0.000 2.442 625 V HA -0.082 4.041 4.120 0.005 0.000 0.272 625 V C 1.784 177.887 176.094 0.015 0.000 0.989 625 V CA 0.177 62.484 62.300 0.012 0.000 1.123 625 V CB 0.735 32.560 31.823 0.003 0.000 1.008 625 V HN 0.072 nan 8.190 nan 0.000 0.469 626 V N 4.458 124.390 119.914 0.031 0.000 2.548 626 V HA -0.112 4.011 4.120 0.005 0.000 0.249 626 V C 2.224 178.347 176.094 0.048 0.000 1.055 626 V CA 2.272 64.599 62.300 0.046 0.000 1.065 626 V CB 0.293 32.148 31.823 0.054 0.000 0.681 626 V HN 1.006 nan 8.190 nan 0.000 0.462 627 E N 1.268 121.493 120.200 0.041 0.000 2.017 627 E HA -0.236 4.117 4.350 0.005 0.000 0.193 627 E C 1.941 178.573 176.600 0.053 0.000 0.997 627 E CA 2.244 58.672 56.400 0.047 0.000 0.804 627 E CB -0.617 29.107 29.700 0.039 0.000 0.757 627 E HN 0.655 nan 8.360 nan 0.000 0.448 628 N N 0.416 119.138 118.700 0.037 0.000 2.192 628 N HA -0.212 4.531 4.740 0.005 0.000 0.188 628 N C 1.850 177.396 175.510 0.060 0.000 1.013 628 N CA 1.393 54.468 53.050 0.042 0.000 0.863 628 N CB -0.437 38.057 38.487 0.010 0.000 0.990 628 N HN 0.185 nan 8.380 nan 0.000 0.430 629 R N 1.090 121.602 120.500 0.020 0.000 2.073 629 R HA -0.008 4.335 4.340 0.005 0.000 0.234 629 R C 2.342 178.740 176.300 0.162 0.000 1.134 629 R CA 1.228 57.338 56.100 0.015 0.000 0.952 629 R CB -0.080 30.225 30.300 0.008 0.000 0.850 629 R HN 0.165 nan 8.270 nan 0.000 0.433 630 R N -0.032 120.551 120.500 0.138 0.000 2.073 630 R HA -0.212 4.131 4.340 0.005 0.000 0.234 630 R C 2.247 178.640 176.300 0.155 0.000 1.134 630 R CA 2.021 58.210 56.100 0.149 0.000 0.952 630 R CB -0.254 30.109 30.300 0.105 0.000 0.850 630 R HN 0.201 nan 8.270 nan 0.000 0.433 631 Q N 0.377 120.256 119.800 0.131 0.000 2.047 631 Q HA -0.262 4.081 4.340 0.005 0.000 0.211 631 Q C 1.791 177.874 176.000 0.139 0.000 1.005 631 Q CA 2.621 58.491 55.803 0.112 0.000 0.866 631 Q CB -0.719 28.076 28.738 0.096 0.000 0.938 631 Q HN 0.486 nan 8.270 nan 0.000 0.414 632 F N -0.357 119.602 119.950 0.016 0.000 2.271 632 F HA -0.249 4.281 4.527 0.005 0.000 0.302 632 F C 1.321 177.138 175.800 0.028 0.000 1.063 632 F CA 0.881 58.886 58.000 0.009 0.000 1.362 632 F CB 0.034 39.026 39.000 -0.014 0.000 1.060 632 F HN 0.169 nan 8.300 nan 0.000 0.521 633 I N 0.500 121.227 120.570 0.261 0.000 2.206 633 I HA -0.216 3.957 4.170 0.005 0.000 0.239 633 I C 2.406 178.537 176.117 0.024 0.000 1.078 633 I CA 1.354 62.744 61.300 0.150 0.000 1.367 633 I CB -1.570 36.551 38.000 0.201 0.000 1.078 633 I HN 0.235 nan 8.210 nan 0.000 0.413 634 E N 0.841 121.077 120.200 0.059 0.000 2.265 634 E HA -0.250 4.103 4.350 0.005 0.000 0.196 634 E C 1.391 177.986 176.600 -0.010 0.000 0.996 634 E CA 1.215 57.646 56.400 0.052 0.000 0.832 634 E CB 0.129 29.865 29.700 0.060 0.000 0.756 634 E HN 0.420 nan 8.360 nan 0.000 0.491 635 D N -0.147 120.213 120.400 -0.067 0.000 2.149 635 D HA -0.051 4.592 4.640 0.005 0.000 0.201 635 D C 1.176 177.366 176.300 -0.184 0.000 0.972 635 D CA 0.934 54.860 54.000 -0.123 0.000 0.835 635 D CB 0.081 40.784 40.800 -0.161 0.000 0.966 635 D HN 0.155 nan 8.370 nan 0.000 0.476 636 N N -0.249 118.287 118.700 -0.273 0.000 2.184 636 N HA 0.229 4.972 4.740 0.005 0.000 0.206 636 N C 0.128 175.488 175.510 -0.250 0.000 1.151 636 N CA -0.174 52.699 53.050 -0.296 0.000 0.878 636 N CB 1.215 39.412 38.487 -0.484 0.000 1.014 636 N HN 0.019 nan 8.380 nan 0.000 0.512 637 A N 0.926 123.615 122.820 -0.218 0.000 2.346 637 A HA 0.441 4.764 4.320 0.005 0.000 0.255 637 A C 0.153 177.515 177.584 -0.371 0.000 1.113 637 A CA 0.286 52.125 52.037 -0.330 0.000 0.798 637 A CB 0.642 19.437 19.000 -0.342 0.000 1.073 637 A HN -0.007 nan 8.150 nan 0.000 0.502 638 V N 0.398 119.973 119.914 -0.565 0.000 2.716 638 V HA 0.185 4.308 4.120 0.005 0.000 0.284 638 V C -0.822 175.023 176.094 -0.416 0.000 1.129 638 V CA -0.313 61.737 62.300 -0.416 0.000 0.926 638 V CB 0.681 32.179 31.823 -0.542 0.000 1.051 638 V HN 0.954 nan 8.190 nan 0.000 0.458 639 Y N 2.792 123.036 120.300 -0.095 0.000 2.222 639 Y HA 0.299 4.852 4.550 0.004 0.000 0.290 639 Y C 2.143 178.017 175.900 -0.044 0.000 1.123 639 Y CA 1.399 59.461 58.100 -0.064 0.000 1.120 639 Y CB 0.216 38.645 38.460 -0.051 0.000 1.060 639 Y HN 0.630 nan 8.280 nan 0.000 0.508 640 A N -0.850 122.044 122.820 0.123 0.000 2.390 640 A HA 0.187 4.510 4.320 0.005 0.000 0.232 640 A C -0.018 177.594 177.584 0.046 0.000 1.233 640 A CA -0.257 51.822 52.037 0.071 0.000 0.907 640 A CB -0.290 18.746 19.000 0.060 0.000 0.967 640 A HN 0.174 nan 8.150 nan 0.000 0.512 641 N N 1.123 119.843 118.700 0.034 0.000 2.452 641 N HA 0.250 4.993 4.740 0.005 0.000 0.266 641 N C 0.744 176.296 175.510 0.070 0.000 1.175 641 N CA -0.109 52.967 53.050 0.044 0.000 0.945 641 N CB 1.399 39.909 38.487 0.037 0.000 1.063 641 N HN 0.369 nan 8.380 nan 0.000 0.472 642 L N 0.672 121.938 121.223 0.071 0.000 2.529 642 L HA 0.253 4.596 4.340 0.005 0.000 0.223 642 L C 0.930 177.854 176.870 0.091 0.000 1.113 642 L CA 0.823 55.710 54.840 0.079 0.000 0.861 642 L CB -0.447 41.642 42.059 0.049 0.000 1.012 642 L HN 0.273 nan 8.230 nan 0.000 0.461 643 D N -0.965 119.491 120.400 0.093 0.000 2.378 643 D HA -0.105 4.538 4.640 0.005 0.000 0.227 643 D C 0.909 177.287 176.300 0.131 0.000 1.012 643 D CA -0.035 54.014 54.000 0.083 0.000 0.905 643 D CB -0.451 40.387 40.800 0.064 0.000 0.895 643 D HN 0.323 nan 8.370 nan 0.000 0.532 1003 E N -0.675 119.253 120.200 -0.453 0.000 2.406 1003 E HA 0.897 5.250 4.350 0.005 0.000 0.297 1003 E C -0.453 176.038 176.600 -0.183 0.000 0.917 1003 E CA 0.385 56.646 56.400 -0.232 0.000 0.795 1003 E CB 0.180 29.794 29.700 -0.143 0.000 1.285 1003 E HN 2.264 nan 8.360 nan 0.000 0.400 1004 L N 1.041 122.184 121.223 -0.132 0.000 3.366 1004 L HA 0.854 5.197 4.340 0.005 0.000 0.222 1004 L C -1.056 175.757 176.870 -0.095 0.000 1.526 1004 L CA 0.525 55.291 54.840 -0.122 0.000 1.981 1004 L CB -1.166 40.837 42.059 -0.094 0.000 1.995 1004 L HN 0.547 nan 8.230 nan 0.000 0.669 1005 P HA -0.328 nan 4.420 nan 0.000 0.231 1005 P C 0.133 177.397 177.300 -0.060 0.000 0.982 1005 P CA 2.740 65.805 63.100 -0.058 0.000 1.072 1005 P CB -0.399 31.273 31.700 -0.048 0.000 0.706 1006 Q N -2.364 117.399 119.800 -0.062 0.000 2.439 1006 Q HA -0.160 4.183 4.340 0.005 0.000 0.325 1006 Q C -0.427 175.544 176.000 -0.048 0.000 1.372 1006 Q CA 0.847 56.616 55.803 -0.057 0.000 0.909 1006 Q CB -3.061 25.637 28.738 -0.065 0.000 1.167 1006 Q HN 0.315 nan 8.270 nan 0.000 0.418 1007 S N -0.015 115.660 115.700 -0.042 0.000 4.466 1007 S HA -0.275 4.198 4.470 0.005 0.000 0.529 1007 S C 0.706 175.284 174.600 -0.037 0.000 1.031 1007 S CA 0.761 58.939 58.200 -0.037 0.000 0.906 1007 S CB 0.192 63.372 63.200 -0.033 0.000 1.279 1007 S HN 0.536 nan 8.310 nan 0.000 0.417 1008 R N 1.479 121.959 120.500 -0.034 0.000 4.160 1008 R HA 0.197 4.540 4.340 0.005 0.000 0.216 1008 R C -0.063 176.220 176.300 -0.030 0.000 2.009 1008 R CA 0.377 56.458 56.100 -0.033 0.000 1.664 1008 R CB -0.771 29.511 30.300 -0.030 0.000 1.216 1008 R HN 0.542 nan 8.270 nan 0.000 0.648 1009 I N 0.065 120.616 120.570 -0.031 0.000 2.646 1009 I HA 0.168 4.341 4.170 0.005 0.000 0.299 1009 I C 0.099 176.197 176.117 -0.032 0.000 1.036 1009 I CA -0.928 60.355 61.300 -0.029 0.000 1.074 1009 I CB 2.082 40.064 38.000 -0.029 0.000 1.258 1009 I HN 0.029 nan 8.210 nan 0.000 0.430 1010 N N 4.796 123.480 118.700 -0.027 0.000 2.920 1010 N HA 0.131 4.874 4.740 0.005 0.000 0.310 1010 N C -0.768 174.717 175.510 -0.040 0.000 1.384 1010 N CA -0.188 52.846 53.050 -0.026 0.000 1.083 1010 N CB 0.247 38.730 38.487 -0.006 0.000 1.389 1010 N HN 0.661 nan 8.380 nan 0.000 0.521 1011 E N -0.625 119.541 120.200 -0.056 0.000 2.320 1011 E HA 0.699 5.052 4.350 0.005 0.000 0.264 1011 E C -0.705 175.853 176.600 -0.069 0.000 0.923 1011 E CA -1.072 55.277 56.400 -0.085 0.000 0.796 1011 E CB 2.162 31.812 29.700 -0.083 0.000 1.262 1011 E HN -0.115 nan 8.360 nan 0.000 0.428 1012 R N 1.194 121.648 120.500 -0.078 0.000 2.604 1012 R HA 0.269 4.611 4.340 0.005 0.000 0.281 1012 R C -1.398 174.872 176.300 -0.051 0.000 1.020 1012 R CA -0.639 55.428 56.100 -0.054 0.000 0.899 1012 R CB 1.443 31.718 30.300 -0.041 0.000 1.205 1012 R HN 0.650 nan 8.270 nan 0.000 0.450 1013 N N 3.775 122.452 118.700 -0.038 0.000 2.513 1013 N HA 0.006 4.749 4.740 0.005 0.000 0.268 1013 N C 0.952 176.441 175.510 -0.034 0.000 1.180 1013 N CA 0.124 53.153 53.050 -0.034 0.000 0.948 1013 N CB 0.768 39.237 38.487 -0.031 0.000 1.083 1013 N HN 0.806 nan 8.380 nan 0.000 0.455 1014 I N 2.735 123.288 120.570 -0.029 0.000 2.264 1014 I HA -0.292 3.880 4.170 0.005 0.000 0.248 1014 I C 1.447 177.502 176.117 -0.104 0.000 1.111 1014 I CA 1.446 62.727 61.300 -0.032 0.000 1.382 1014 I CB 0.052 38.064 38.000 0.020 0.000 1.060 1014 I HN 0.604 nan 8.210 nan 0.000 0.418 1015 T N -1.076 113.406 114.554 -0.119 0.000 2.732 1015 T HA -0.142 4.211 4.350 0.005 0.000 0.261 1015 T C 2.021 176.668 174.700 -0.089 0.000 1.040 1015 T CA 1.380 63.384 62.100 -0.160 0.000 1.145 1015 T CB -0.495 68.295 68.868 -0.131 0.000 0.866 1015 T HN 0.288 nan 8.240 nan 0.000 0.427 1016 S N 0.778 116.449 115.700 -0.049 0.000 2.428 1016 S HA -0.224 4.249 4.470 0.005 0.000 0.240 1016 S C 2.066 176.665 174.600 -0.001 0.000 1.036 1016 S CA 1.898 60.088 58.200 -0.018 0.000 1.009 1016 S CB -0.227 62.963 63.200 -0.017 0.000 0.803 1016 S HN 0.634 nan 8.310 nan 0.000 0.486 1017 E N -0.424 119.768 120.200 -0.013 0.000 2.132 1017 E HA 0.140 4.492 4.350 0.005 0.000 0.193 1017 E C 2.109 178.719 176.600 0.017 0.000 0.951 1017 E CA 0.409 56.816 56.400 0.012 0.000 0.843 1017 E CB -0.277 29.430 29.700 0.012 0.000 0.807 1017 E HN 0.240 nan 8.360 nan 0.000 0.467 1018 M N 0.921 120.495 119.600 -0.044 0.000 2.088 1018 M HA -0.216 4.267 4.480 0.005 0.000 0.256 1018 M C 2.463 178.757 176.300 -0.010 0.000 1.071 1018 M CA 1.972 57.225 55.300 -0.077 0.000 1.097 1018 M CB -1.091 31.339 32.600 -0.283 0.000 1.315 1018 M HN 0.173 nan 8.290 nan 0.000 0.406 1019 R N 0.301 120.792 120.500 -0.015 0.000 2.094 1019 R HA -0.191 4.152 4.340 0.005 0.000 0.239 1019 R C 1.981 178.424 176.300 0.239 0.000 1.137 1019 R CA 2.108 58.284 56.100 0.128 0.000 0.943 1019 R CB -0.144 30.232 30.300 0.128 0.000 0.850 1019 R HN 0.486 nan 8.270 nan 0.000 0.433 1020 E N -0.141 120.153 120.200 0.157 0.000 1.998 1020 E HA -0.148 4.204 4.350 0.005 0.000 0.196 1020 E C 2.125 178.840 176.600 0.191 0.000 1.003 1020 E CA 1.727 58.225 56.400 0.164 0.000 0.829 1020 E CB -0.175 29.598 29.700 0.121 0.000 0.777 1020 E HN 0.297 nan 8.360 nan 0.000 0.460 1021 S N 0.709 116.504 115.700 0.159 0.000 2.392 1021 S HA -0.209 4.264 4.470 0.005 0.000 0.232 1021 S C 1.655 176.372 174.600 0.194 0.000 1.041 1021 S CA 1.168 59.462 58.200 0.157 0.000 1.026 1021 S CB -0.406 62.864 63.200 0.117 0.000 0.845 1021 S HN 0.262 nan 8.310 nan 0.000 0.465 1022 F N 1.688 121.675 119.950 0.061 0.000 2.134 1022 F HA -0.048 4.482 4.527 0.005 0.000 0.299 1022 F C 1.964 177.893 175.800 0.215 0.000 1.097 1022 F CA 1.157 59.203 58.000 0.075 0.000 1.264 1022 F CB -0.175 38.793 39.000 -0.053 0.000 1.001 1022 F HN 0.169 nan 8.300 nan 0.000 0.479 1023 L N -0.138 121.350 121.223 0.441 0.000 2.109 1023 L HA -0.147 4.196 4.340 0.005 0.000 0.207 1023 L C 1.730 178.696 176.870 0.160 0.000 1.086 1023 L CA 1.735 56.780 54.840 0.342 0.000 0.760 1023 L CB -0.716 41.544 42.059 0.335 0.000 0.910 1023 L HN -0.081 nan 8.230 nan 0.000 0.437 1024 D N -1.069 119.424 120.400 0.155 0.000 2.221 1024 D HA -0.232 4.411 4.640 0.005 0.000 0.204 1024 D C 1.613 177.983 176.300 0.116 0.000 0.982 1024 D CA 1.369 55.437 54.000 0.114 0.000 0.857 1024 D CB -0.086 40.800 40.800 0.144 0.000 0.934 1024 D HN 0.546 nan 8.370 nan 0.000 0.475 1025 Y N 0.987 121.280 120.300 -0.012 0.000 2.163 1025 Y HA 0.092 4.645 4.550 0.005 0.000 0.288 1025 Y C 2.243 178.090 175.900 -0.087 0.000 1.112 1025 Y CA 1.459 59.523 58.100 -0.059 0.000 1.104 1025 Y CB -0.613 37.770 38.460 -0.129 0.000 1.016 1025 Y HN -0.077 nan 8.280 nan 0.000 0.497 1026 A N 0.696 123.406 122.820 -0.183 0.000 1.978 1026 A HA -0.192 4.131 4.320 0.005 0.000 0.220 1026 A C 2.164 179.666 177.584 -0.137 0.000 1.170 1026 A CA 1.967 53.876 52.037 -0.213 0.000 0.636 1026 A CB -0.709 18.306 19.000 0.024 0.000 0.810 1026 A HN 0.563 nan 8.150 nan 0.000 0.448 1027 M N -0.768 118.780 119.600 -0.087 0.000 2.156 1027 M HA -0.075 4.408 4.480 0.005 0.000 0.264 1027 M C 2.532 178.778 176.300 -0.091 0.000 1.067 1027 M CA 1.834 57.079 55.300 -0.090 0.000 1.131 1027 M CB -1.270 31.251 32.600 -0.132 0.000 1.368 1027 M HN 0.573 nan 8.290 nan 0.000 0.416 1028 S N 0.304 115.935 115.700 -0.114 0.000 2.356 1028 S HA -0.089 4.384 4.470 0.005 0.000 0.223 1028 S C 1.905 176.417 174.600 -0.146 0.000 1.032 1028 S CA 1.279 59.419 58.200 -0.100 0.000 1.005 1028 S CB -0.288 62.867 63.200 -0.076 0.000 0.867 1028 S HN 0.251 nan 8.310 nan 0.000 0.449 1029 V N 1.394 121.143 119.914 -0.275 0.000 2.982 1029 V HA -0.111 4.012 4.120 0.005 0.000 0.265 1029 V C 1.937 177.945 176.094 -0.144 0.000 1.122 1029 V CA 1.655 63.791 62.300 -0.274 0.000 1.143 1029 V CB -0.629 30.918 31.823 -0.461 0.000 0.726 1029 V HN 0.530 nan 8.190 nan 0.000 0.507 1030 I N -0.666 119.850 120.570 -0.091 0.000 3.136 1030 I HA -0.036 4.137 4.170 0.005 0.000 0.262 1030 I C 2.198 178.321 176.117 0.010 0.000 1.132 1030 I CA 0.980 62.268 61.300 -0.021 0.000 1.450 1030 I CB 0.120 38.136 38.000 0.026 0.000 1.315 1030 I HN 0.246 nan 8.210 nan 0.000 0.460 1031 V N -0.703 119.229 119.914 0.030 0.000 2.548 1031 V HA 0.149 4.272 4.120 0.005 0.000 0.249 1031 V C 1.104 177.206 176.094 0.012 0.000 1.055 1031 V CA 1.160 63.490 62.300 0.049 0.000 1.065 1031 V CB -0.721 31.155 31.823 0.087 0.000 0.681 1031 V HN 0.320 nan 8.190 nan 0.000 0.462 1032 A N -0.350 122.464 122.820 -0.010 0.000 3.453 1032 A HA 0.809 5.132 4.320 0.005 0.000 0.262 1032 A C 0.493 178.052 177.584 -0.041 0.000 1.026 1032 A CA 0.158 52.186 52.037 -0.015 0.000 0.938 1032 A CB 0.668 19.670 19.000 0.003 0.000 1.246 1032 A HN 0.452 nan 8.150 nan 0.000 0.546 1033 R N -0.614 119.854 120.500 -0.054 0.000 5.238 1033 R HA 0.353 4.696 4.340 0.005 0.000 0.061 1033 R C 1.436 177.694 176.300 -0.071 0.000 0.721 1033 R CA 1.419 57.473 56.100 -0.077 0.000 1.410 1033 R CB -0.606 29.619 30.300 -0.124 0.000 1.353 1033 R HN 0.569 nan 8.270 nan 0.000 0.401 1034 A N 1.425 124.207 122.820 -0.062 0.000 2.044 1034 A HA 0.432 4.755 4.320 0.005 0.000 0.213 1034 A C 0.338 177.911 177.584 -0.019 0.000 1.169 1034 A CA 0.284 52.297 52.037 -0.041 0.000 0.724 1034 A CB -0.086 18.893 19.000 -0.035 0.000 0.840 1034 A HN 0.165 nan 8.150 nan 0.000 0.463 1035 L N -0.096 121.116 121.223 -0.018 0.000 2.330 1035 L HA 0.500 4.843 4.340 0.005 0.000 0.271 1035 L C -2.837 174.028 176.870 -0.008 0.000 1.013 1035 L CA -2.392 52.446 54.840 -0.004 0.000 0.816 1035 L CB 1.565 43.623 42.059 -0.002 0.000 1.287 1035 L HN -0.080 nan 8.230 nan 0.000 0.435 1036 P HA 0.266 nan 4.420 nan 0.000 0.287 1036 P C -1.216 176.068 177.300 -0.026 0.000 1.270 1036 P CA -0.594 62.508 63.100 0.003 0.000 0.844 1036 P CB 0.984 32.700 31.700 0.027 0.000 1.068 1037 D N 0.210 120.587 120.400 -0.038 0.000 2.362 1037 D HA -0.030 4.613 4.640 0.005 0.000 0.242 1037 D C 1.015 177.266 176.300 -0.080 0.000 1.132 1037 D CA -0.149 53.805 54.000 -0.077 0.000 0.907 1037 D CB 1.275 42.016 40.800 -0.098 0.000 1.195 1037 D HN 0.022 nan 8.370 nan 0.000 0.429 1038 V N 3.682 123.529 119.914 -0.113 0.000 3.041 1038 V HA -0.076 4.046 4.120 0.005 0.000 0.260 1038 V C 1.843 177.916 176.094 -0.036 0.000 1.105 1038 V CA 1.411 63.663 62.300 -0.080 0.000 1.125 1038 V CB -0.165 31.581 31.823 -0.128 0.000 0.730 1038 V HN 0.425 nan 8.190 nan 0.000 0.479 1039 R N 1.017 121.444 120.500 -0.121 0.000 2.043 1039 R HA 0.010 4.353 4.340 0.005 0.000 0.221 1039 R C 2.122 178.410 176.300 -0.020 0.000 1.196 1039 R CA 1.619 57.631 56.100 -0.148 0.000 0.949 1039 R CB -0.714 29.145 30.300 -0.735 0.000 0.838 1039 R HN 0.680 nan 8.270 nan 0.000 0.446 1040 D N -0.692 119.645 120.400 -0.105 0.000 2.144 1040 D HA -0.018 4.625 4.640 0.005 0.000 0.200 1040 D C 1.104 177.373 176.300 -0.052 0.000 0.978 1040 D CA 1.324 55.287 54.000 -0.061 0.000 0.833 1040 D CB -0.281 40.490 40.800 -0.048 0.000 0.961 1040 D HN 0.457 nan 8.370 nan 0.000 0.470 1041 G N -0.341 108.441 108.800 -0.029 0.000 2.132 1041 G HA2 -0.196 3.767 3.960 0.005 0.000 0.228 1041 G HA3 -0.196 3.767 3.960 0.005 0.000 0.228 1041 G C -0.232 174.705 174.900 0.062 0.000 1.000 1041 G CA 0.226 45.327 45.100 0.002 0.000 0.693 1041 G HN 0.415 nan 8.290 nan 0.000 0.515 1042 L N 0.256 121.519 121.223 0.067 0.000 2.341 1042 L HA 0.516 4.859 4.340 0.005 0.000 0.278 1042 L C 0.865 177.780 176.870 0.074 0.000 1.005 1042 L CA -1.227 53.700 54.840 0.145 0.000 0.818 1042 L CB 1.541 43.690 42.059 0.150 0.000 1.259 1042 L HN 0.050 nan 8.230 nan 0.000 0.418 1043 K N 2.407 122.828 120.400 0.035 0.000 2.187 1043 K HA 0.148 4.471 4.320 0.005 0.000 0.247 1043 K C -1.765 174.782 176.600 -0.088 0.000 1.019 1043 K CA -1.380 54.850 56.287 -0.096 0.000 0.893 1043 K CB 0.310 32.664 32.500 -0.243 0.000 1.025 1043 K HN 0.254 nan 8.250 nan 0.000 0.500 1044 P HA -0.158 nan 4.420 nan 0.000 0.216 1044 P C 1.581 178.959 177.300 0.129 0.000 1.153 1044 P CA 0.590 63.725 63.100 0.058 0.000 0.844 1044 P CB -0.023 31.720 31.700 0.073 0.000 0.787 1045 V N 0.419 120.410 119.914 0.128 0.000 2.278 1045 V HA -0.366 3.756 4.120 0.005 0.000 0.251 1045 V C 2.042 178.176 176.094 0.066 0.000 1.062 1045 V CA 2.306 64.640 62.300 0.056 0.000 1.038 1045 V CB -1.525 30.242 31.823 -0.094 0.000 0.646 1045 V HN 0.183 nan 8.190 nan 0.000 0.447 1046 H N 0.332 119.440 119.070 0.063 0.000 2.270 1046 H HA -0.152 4.407 4.556 0.004 0.000 0.299 1046 H C 2.519 177.880 175.328 0.055 0.000 1.077 1046 H CA 1.769 57.844 56.048 0.044 0.000 1.294 1046 H CB -0.335 29.463 29.762 0.061 0.000 1.371 1046 H HN 0.438 nan 8.280 nan 0.000 0.491 1047 R N 1.770 122.379 120.500 0.182 0.000 2.139 1047 R HA -0.161 4.182 4.340 0.005 0.000 0.243 1047 R C 1.963 178.329 176.300 0.110 0.000 1.145 1047 R CA 1.480 57.651 56.100 0.119 0.000 0.976 1047 R CB -0.097 30.247 30.300 0.074 0.000 0.866 1047 R HN 0.333 nan 8.270 nan 0.000 0.449 1048 R N 0.240 120.817 120.500 0.129 0.000 2.057 1048 R HA 0.019 4.362 4.340 0.005 0.000 0.229 1048 R C 2.492 178.854 176.300 0.103 0.000 1.136 1048 R CA 1.546 57.716 56.100 0.117 0.000 0.952 1048 R CB -0.385 30.058 30.300 0.240 0.000 0.848 1048 R HN 0.219 nan 8.270 nan 0.000 0.430 1049 I N 1.349 121.988 120.570 0.115 0.000 2.068 1049 I HA -0.383 3.790 4.170 0.005 0.000 0.238 1049 I C 2.257 178.418 176.117 0.074 0.000 1.046 1049 I CA 1.692 63.049 61.300 0.095 0.000 1.306 1049 I CB -0.434 37.616 38.000 0.083 0.000 1.023 1049 I HN 0.157 nan 8.210 nan 0.000 0.399 1050 L N -0.778 120.492 121.223 0.078 0.000 2.137 1050 L HA -0.292 4.051 4.340 0.005 0.000 0.213 1050 L C 2.604 179.523 176.870 0.082 0.000 1.085 1050 L CA 1.577 56.459 54.840 0.070 0.000 0.760 1050 L CB -0.924 41.181 42.059 0.077 0.000 0.893 1050 L HN 0.313 nan 8.230 nan 0.000 0.434 1051 Y N 0.900 121.170 120.300 -0.050 0.000 2.153 1051 Y HA -0.052 4.504 4.550 0.009 0.000 0.289 1051 Y C 2.429 178.259 175.900 -0.117 0.000 1.127 1051 Y CA 1.272 59.310 58.100 -0.103 0.000 1.131 1051 Y CB -0.796 37.543 38.460 -0.202 0.000 0.995 1051 Y HN 0.030 nan 8.280 nan 0.000 0.505 1052 G N 0.828 109.513 108.800 -0.192 0.000 2.485 1052 G HA2 -0.248 3.715 3.960 0.005 0.000 0.221 1052 G HA3 -0.248 3.715 3.960 0.005 0.000 0.221 1052 G C 1.664 176.533 174.900 -0.051 0.000 1.115 1052 G CA 1.276 46.329 45.100 -0.079 0.000 0.751 1052 G HN 0.453 nan 8.290 nan 0.000 0.567 1053 L N 0.081 121.280 121.223 -0.040 0.000 1.973 1053 L HA -0.101 4.242 4.340 0.005 0.000 0.208 1053 L C 2.740 179.565 176.870 -0.075 0.000 1.073 1053 L CA 1.359 56.186 54.840 -0.022 0.000 0.746 1053 L CB -0.695 41.372 42.059 0.013 0.000 0.891 1053 L HN 0.263 nan 8.230 nan 0.000 0.433 1054 N N -0.175 118.462 118.700 -0.105 0.000 2.132 1054 N HA -0.251 4.492 4.740 0.005 0.000 0.191 1054 N C 1.727 177.124 175.510 -0.187 0.000 1.015 1054 N CA 1.482 54.463 53.050 -0.116 0.000 0.864 1054 N CB 0.141 38.583 38.487 -0.075 0.000 1.006 1054 N HN 0.280 nan 8.380 nan 0.000 0.430 1055 E N 1.006 120.992 120.200 -0.356 0.000 2.001 1055 E HA -0.110 4.242 4.350 0.005 0.000 0.195 1055 E C 1.715 178.242 176.600 -0.121 0.000 1.002 1055 E CA 0.924 57.144 56.400 -0.300 0.000 0.819 1055 E CB -0.600 28.875 29.700 -0.376 0.000 0.769 1055 E HN 0.409 nan 8.360 nan 0.000 0.454 1056 Q N -0.430 119.326 119.800 -0.074 0.000 2.591 1056 Q HA -0.058 4.285 4.340 0.005 0.000 0.219 1056 Q C 0.913 176.902 176.000 -0.019 0.000 0.981 1056 Q CA 0.939 56.727 55.803 -0.025 0.000 0.945 1056 Q CB -0.030 28.710 28.738 0.003 0.000 0.985 1056 Q HN 0.546 nan 8.270 nan 0.000 0.542 1057 G N 0.700 109.481 108.800 -0.031 0.000 2.179 1057 G HA2 -0.313 3.650 3.960 0.005 0.000 0.260 1057 G HA3 -0.313 3.650 3.960 0.005 0.000 0.260 1057 G C 0.420 175.319 174.900 -0.002 0.000 0.977 1057 G CA 0.348 45.439 45.100 -0.015 0.000 0.641 1057 G HN 0.390 nan 8.290 nan 0.000 0.533 1058 M N 3.170 122.773 119.600 0.005 0.000 3.447 1058 M HA 0.191 4.674 4.480 0.005 0.000 0.217 1058 M C 1.016 177.331 176.300 0.025 0.000 1.597 1058 M CA 0.974 56.288 55.300 0.023 0.000 1.695 1058 M CB -0.877 31.748 32.600 0.042 0.000 1.196 1058 M HN 0.401 nan 8.290 nan 0.000 0.538 1059 T N -1.945 112.618 114.554 0.015 0.000 2.881 1059 T HA 0.352 4.705 4.350 0.005 0.000 0.278 1059 T C -1.961 172.743 174.700 0.006 0.000 0.982 1059 T CA -1.813 60.298 62.100 0.017 0.000 0.989 1059 T CB 0.850 69.729 68.868 0.018 0.000 1.058 1059 T HN 0.129 nan 8.240 nan 0.000 0.529 1060 P HA -0.075 nan 4.420 nan 0.000 0.221 1060 P C 1.129 178.406 177.300 -0.038 0.000 1.145 1060 P CA 0.865 63.962 63.100 -0.005 0.000 0.795 1060 P CB -0.002 31.714 31.700 0.027 0.000 0.775 1061 D N -2.126 118.259 120.400 -0.026 0.000 2.271 1061 D HA -0.024 4.619 4.640 0.005 0.000 0.206 1061 D C 0.561 176.829 176.300 -0.052 0.000 0.967 1061 D CA 0.775 54.755 54.000 -0.035 0.000 0.867 1061 D CB -0.070 40.721 40.800 -0.015 0.000 0.960 1061 D HN 0.042 nan 8.370 nan 0.000 0.509 1062 K N 1.635 122.006 120.400 -0.048 0.000 2.098 1062 K HA 0.252 4.575 4.320 0.005 0.000 0.258 1062 K C 0.460 177.010 176.600 -0.084 0.000 0.973 1062 K CA -0.529 55.729 56.287 -0.048 0.000 0.898 1062 K CB 1.700 34.187 32.500 -0.020 0.000 1.057 1062 K HN 0.142 nan 8.250 nan 0.000 0.447 1063 S N 0.858 116.515 115.700 -0.072 0.000 2.537 1063 S HA -0.086 4.387 4.470 0.005 0.000 0.280 1063 S C 0.099 174.673 174.600 -0.043 0.000 1.335 1063 S CA -0.020 58.129 58.200 -0.086 0.000 1.025 1063 S CB -0.287 62.907 63.200 -0.009 0.000 0.836 1063 S HN 0.274 nan 8.310 nan 0.000 0.523 1064 Y N 1.249 121.574 120.300 0.042 0.000 2.610 1064 Y HA 0.254 4.810 4.550 0.009 0.000 0.332 1064 Y C 1.122 177.050 175.900 0.047 0.000 1.201 1064 Y CA 0.121 58.253 58.100 0.054 0.000 1.465 1064 Y CB 0.461 38.964 38.460 0.071 0.000 1.283 1064 Y HN 0.454 nan 8.280 nan 0.000 0.563 1065 K N 3.463 123.999 120.400 0.227 0.000 2.207 1065 K HA 0.310 4.633 4.320 0.005 0.000 0.255 1065 K C -0.148 176.519 176.600 0.112 0.000 0.941 1065 K CA -1.074 55.291 56.287 0.131 0.000 0.825 1065 K CB 1.665 34.219 32.500 0.091 0.000 1.119 1065 K HN 0.505 nan 8.250 nan 0.000 0.430 1066 K N 0.728 121.169 120.400 0.068 0.000 2.397 1066 K HA 0.027 4.350 4.320 0.005 0.000 0.265 1066 K C 0.986 177.598 176.600 0.019 0.000 0.982 1066 K CA 0.121 56.428 56.287 0.034 0.000 0.931 1066 K CB 0.443 32.944 32.500 0.002 0.000 0.943 1066 K HN 0.461 nan 8.250 nan 0.000 0.501 1067 S N 0.794 116.484 115.700 -0.017 0.000 2.446 1067 S HA -0.038 4.434 4.470 0.005 0.000 0.225 1067 S C 1.540 176.072 174.600 -0.113 0.000 1.016 1067 S CA 0.882 59.065 58.200 -0.030 0.000 0.943 1067 S CB 0.118 63.293 63.200 -0.041 0.000 0.786 1067 S HN 0.694 nan 8.310 nan 0.000 0.508 1068 A N 1.048 123.778 122.820 -0.150 0.000 2.208 1068 A HA 0.134 4.456 4.320 0.005 0.000 0.209 1068 A C 1.903 179.443 177.584 -0.073 0.000 1.161 1068 A CA 0.396 52.345 52.037 -0.148 0.000 0.782 1068 A CB -0.245 18.651 19.000 -0.172 0.000 0.816 1068 A HN 0.362 nan 8.150 nan 0.000 0.477 1069 R N 0.017 120.493 120.500 -0.041 0.000 2.127 1069 R HA 0.079 4.422 4.340 0.005 0.000 0.217 1069 R C 1.424 177.730 176.300 0.011 0.000 1.074 1069 R CA 1.187 57.279 56.100 -0.013 0.000 0.991 1069 R CB -0.181 30.118 30.300 -0.000 0.000 0.895 1069 R HN 0.572 nan 8.270 nan 0.000 0.450 1070 I N 0.014 120.600 120.570 0.026 0.000 2.584 1070 I HA -0.098 4.075 4.170 0.005 0.000 0.255 1070 I C 1.932 178.085 176.117 0.059 0.000 1.145 1070 I CA 0.389 61.721 61.300 0.055 0.000 1.462 1070 I CB 0.092 38.138 38.000 0.078 0.000 1.102 1070 I HN -0.074 nan 8.210 nan 0.000 0.433 1071 V N 1.312 121.246 119.914 0.032 0.000 2.649 1071 V HA -0.004 4.119 4.120 0.005 0.000 0.248 1071 V C 2.469 178.573 176.094 0.018 0.000 1.054 1071 V CA 1.809 64.129 62.300 0.033 0.000 1.073 1071 V CB -0.660 31.164 31.823 0.001 0.000 0.699 1071 V HN 0.537 nan 8.190 nan 0.000 0.463 1072 G N -0.393 108.405 108.800 -0.004 0.000 2.623 1072 G HA2 -0.200 3.763 3.960 0.005 0.000 0.214 1072 G HA3 -0.200 3.763 3.960 0.005 0.000 0.214 1072 G C 1.191 176.098 174.900 0.013 0.000 1.138 1072 G CA 0.899 45.996 45.100 -0.006 0.000 0.794 1072 G HN 0.590 nan 8.290 nan 0.000 0.535 1073 D N -0.672 119.746 120.400 0.031 0.000 2.338 1073 D HA 0.016 4.659 4.640 0.005 0.000 0.208 1073 D C 2.221 178.572 176.300 0.086 0.000 0.997 1073 D CA 0.128 54.152 54.000 0.040 0.000 0.880 1073 D CB 0.206 41.032 40.800 0.043 0.000 0.980 1073 D HN 0.034 nan 8.370 nan 0.000 0.509 1074 V N 0.497 120.490 119.914 0.132 0.000 2.951 1074 V HA 0.018 4.141 4.120 0.005 0.000 0.255 1074 V C 2.216 178.430 176.094 0.200 0.000 1.088 1074 V CA 1.084 63.526 62.300 0.236 0.000 1.109 1074 V CB -0.231 31.718 31.823 0.210 0.000 0.724 1074 V HN 0.332 nan 8.190 nan 0.000 0.471 1075 M N -0.049 119.615 119.600 0.107 0.000 2.160 1075 M HA 0.027 4.510 4.480 0.005 0.000 0.264 1075 M C 1.832 178.164 176.300 0.053 0.000 1.073 1075 M CA 2.068 57.407 55.300 0.066 0.000 1.142 1075 M CB -0.295 32.319 32.600 0.024 0.000 1.358 1075 M HN 0.335 nan 8.290 nan 0.000 0.422 1076 G N -0.437 108.398 108.800 0.059 0.000 2.920 1076 G HA2 -0.022 3.941 3.960 0.005 0.000 0.208 1076 G HA3 -0.022 3.941 3.960 0.005 0.000 0.208 1076 G C 1.383 176.345 174.900 0.103 0.000 1.159 1076 G CA 0.211 45.364 45.100 0.088 0.000 0.784 1076 G HN 0.400 nan 8.290 nan 0.000 0.535 1077 K N -1.695 118.718 120.400 0.021 0.000 2.504 1077 K HA 0.221 4.544 4.320 0.005 0.000 0.203 1077 K C 0.806 177.161 176.600 -0.408 0.000 1.350 1077 K CA 0.123 56.210 56.287 -0.334 0.000 0.953 1077 K CB 0.630 32.725 32.500 -0.674 0.000 1.243 1077 K HN 0.314 nan 8.250 nan 0.000 0.534 1078 Y N -1.574 118.919 120.300 0.322 0.000 2.572 1078 Y HA 0.217 4.769 4.550 0.002 0.000 0.274 1078 Y C 0.183 176.262 175.900 0.299 0.000 1.135 1078 Y CA -0.153 58.138 58.100 0.319 0.000 1.230 1078 Y CB 0.697 39.318 38.460 0.267 0.000 1.293 1078 Y HN -0.036 nan 8.280 nan 0.000 0.501 1079 H N 1.117 120.278 119.070 0.151 0.000 2.974 1079 H HA 0.370 4.929 4.556 0.004 0.000 0.285 1079 H C -2.904 172.247 175.328 -0.296 0.000 1.227 1079 H CA -2.341 53.700 56.048 -0.011 0.000 1.569 1079 H CB 1.464 31.306 29.762 0.133 0.000 1.648 1079 H HN -0.204 nan 8.280 nan 0.000 0.521 1080 P HA 0.085 nan 4.420 nan 0.000 0.231 1080 P C -1.102 175.675 177.300 -0.871 0.000 1.756 1080 P CA 0.414 63.020 63.100 -0.824 0.000 0.990 1080 P CB -0.262 30.836 31.700 -1.004 0.000 1.973 1081 H N -0.384 118.721 119.070 0.058 0.000 2.996 1081 H HA 0.323 4.882 4.556 0.005 0.000 0.368 1081 H C 0.762 176.125 175.328 0.058 0.000 1.185 1081 H CA -0.995 55.097 56.048 0.074 0.000 1.160 1081 H CB 1.566 31.424 29.762 0.160 0.000 1.820 1081 H HN 0.122 nan 8.280 nan 0.000 0.547 1082 G N 1.044 109.937 108.800 0.155 0.000 2.464 1082 G HA2 -0.120 3.842 3.960 0.005 0.000 0.231 1082 G HA3 -0.120 3.842 3.960 0.005 0.000 0.231 1082 G C 1.036 175.986 174.900 0.083 0.000 1.267 1082 G CA 0.242 45.394 45.100 0.086 0.000 0.863 1082 G HN 0.770 nan 8.290 nan 0.000 0.559 1083 D N 0.931 121.365 120.400 0.056 0.000 2.158 1083 D HA -0.248 4.395 4.640 0.005 0.000 0.197 1083 D C 2.170 178.529 176.300 0.099 0.000 0.995 1083 D CA 1.581 55.618 54.000 0.062 0.000 0.846 1083 D CB -0.541 40.275 40.800 0.026 0.000 0.941 1083 D HN 0.488 nan 8.370 nan 0.000 0.456 1084 S N -0.775 114.976 115.700 0.086 0.000 2.723 1084 S HA 0.044 4.517 4.470 0.005 0.000 0.231 1084 S C 1.459 176.109 174.600 0.083 0.000 0.967 1084 S CA 0.391 58.650 58.200 0.098 0.000 0.958 1084 S CB -0.034 63.208 63.200 0.069 0.000 0.778 1084 S HN 0.200 nan 8.310 nan 0.000 0.537 1085 S N 0.493 116.240 115.700 0.079 0.000 2.731 1085 S HA 0.387 4.860 4.470 0.005 0.000 0.244 1085 S C 1.539 176.167 174.600 0.046 0.000 1.084 1085 S CA 0.034 58.267 58.200 0.055 0.000 0.877 1085 S CB -0.167 63.064 63.200 0.053 0.000 0.798 1085 S HN 0.462 nan 8.310 nan 0.000 0.496 1086 I N 0.777 121.376 120.570 0.048 0.000 2.202 1086 I HA -0.148 4.025 4.170 0.005 0.000 0.242 1086 I C 2.309 178.497 176.117 0.117 0.000 1.091 1086 I CA 1.553 62.866 61.300 0.020 0.000 1.368 1086 I CB -0.396 37.606 38.000 0.005 0.000 1.058 1086 I HN 0.284 nan 8.210 nan 0.000 0.410 1087 Y N 2.310 122.617 120.300 0.013 0.000 2.184 1087 Y HA -0.148 4.404 4.550 0.004 0.000 0.290 1087 Y C 2.385 178.315 175.900 0.050 0.000 1.129 1087 Y CA 1.306 59.424 58.100 0.031 0.000 1.144 1087 Y CB -0.367 38.105 38.460 0.021 0.000 0.995 1087 Y HN 0.164 nan 8.280 nan 0.000 0.513 1088 E N -0.231 119.918 120.200 -0.086 0.000 2.472 1088 E HA -0.087 4.266 4.350 0.005 0.000 0.200 1088 E C 1.817 178.367 176.600 -0.083 0.000 1.046 1088 E CA 0.626 56.932 56.400 -0.155 0.000 0.871 1088 E CB -0.067 29.613 29.700 -0.033 0.000 0.806 1088 E HN 0.556 nan 8.360 nan 0.000 0.533 1089 A N 1.080 123.883 122.820 -0.027 0.000 1.963 1089 A HA 0.078 4.401 4.320 0.005 0.000 0.207 1089 A C 2.007 179.562 177.584 -0.048 0.000 1.243 1089 A CA -0.013 52.048 52.037 0.040 0.000 0.728 1089 A CB -0.196 18.898 19.000 0.155 0.000 0.895 1089 A HN 0.142 nan 8.150 nan 0.000 0.467 1090 M N 0.124 119.707 119.600 -0.028 0.000 2.267 1090 M HA -0.118 4.364 4.480 0.005 0.000 0.263 1090 M C 1.693 177.910 176.300 -0.138 0.000 1.063 1090 M CA 1.413 56.682 55.300 -0.052 0.000 1.090 1090 M CB -0.206 32.444 32.600 0.083 0.000 1.392 1090 M HN 0.230 nan 8.290 nan 0.000 0.422 1091 V N 0.549 120.361 119.914 -0.169 0.000 2.229 1091 V HA -0.281 3.842 4.120 0.005 0.000 0.243 1091 V C 2.276 178.242 176.094 -0.214 0.000 1.042 1091 V CA 1.971 64.188 62.300 -0.140 0.000 1.000 1091 V CB -0.620 31.081 31.823 -0.203 0.000 0.637 1091 V HN 0.502 nan 8.190 nan 0.000 0.446 1092 R N -0.765 119.627 120.500 -0.180 0.000 2.113 1092 R HA -0.250 4.093 4.340 0.005 0.000 0.244 1092 R C 2.289 178.352 176.300 -0.394 0.000 1.142 1092 R CA 2.130 58.126 56.100 -0.173 0.000 0.953 1092 R CB -0.450 29.833 30.300 -0.028 0.000 0.860 1092 R HN 0.420 nan 8.270 nan 0.000 0.438 1093 M N -0.619 118.587 119.600 -0.657 0.000 2.435 1093 M HA -0.160 4.322 4.480 0.005 0.000 0.262 1093 M C 1.806 177.710 176.300 -0.659 0.000 1.065 1093 M CA 1.404 56.045 55.300 -1.099 0.000 1.076 1093 M CB 0.105 32.217 32.600 -0.813 0.000 1.403 1093 M HN 0.285 nan 8.290 nan 0.000 0.454 1094 A N -1.184 121.328 122.820 -0.513 0.000 2.229 1094 A HA 0.124 4.447 4.320 0.005 0.000 0.211 1094 A C 0.693 177.984 177.584 -0.487 0.000 1.193 1094 A CA -0.193 51.536 52.037 -0.514 0.000 0.879 1094 A CB 0.130 18.662 19.000 -0.779 0.000 0.911 1094 A HN 0.396 nan 8.150 nan 0.000 0.492 1095 Q N 1.020 120.541 119.800 -0.464 0.000 2.352 1095 Q HA 0.172 4.515 4.340 0.005 0.000 0.260 1095 Q C -0.081 175.669 176.000 -0.417 0.000 0.976 1095 Q CA 0.163 55.625 55.803 -0.568 0.000 0.881 1095 Q CB 0.722 28.955 28.738 -0.843 0.000 1.235 1095 Q HN 0.550 nan 8.270 nan 0.000 0.419 1096 D N 1.555 121.712 120.400 -0.404 0.000 2.348 1096 D HA -0.094 4.549 4.640 0.005 0.000 0.211 1096 D C 0.955 177.236 176.300 -0.032 0.000 0.998 1096 D CA 0.443 54.359 54.000 -0.141 0.000 0.873 1096 D CB -0.043 40.732 40.800 -0.042 0.000 0.925 1096 D HN 0.585 nan 8.370 nan 0.000 0.524 1097 F N -0.658 119.340 119.950 0.080 0.000 2.776 1097 F HA 0.482 5.013 4.527 0.006 0.000 0.300 1097 F C 1.741 177.635 175.800 0.157 0.000 1.116 1097 F CA -0.563 57.499 58.000 0.104 0.000 1.375 1097 F CB -0.023 39.021 39.000 0.073 0.000 1.109 1097 F HN -0.156 nan 8.300 nan 0.000 0.585 1098 S N -1.827 113.983 115.700 0.182 0.000 2.691 1098 S HA 0.185 4.658 4.470 0.005 0.000 0.241 1098 S C -0.455 174.312 174.600 0.279 0.000 1.077 1098 S CA -0.124 58.256 58.200 0.299 0.000 0.900 1098 S CB -0.113 63.224 63.200 0.228 0.000 0.805 1098 S HN 0.171 nan 8.310 nan 0.000 0.529 1099 Y N 2.769 123.057 120.300 -0.020 0.000 2.350 1099 Y HA 0.391 4.944 4.550 0.005 0.000 0.340 1099 Y C 1.103 176.953 175.900 -0.084 0.000 1.006 1099 Y CA -1.009 57.069 58.100 -0.036 0.000 1.166 1099 Y CB 0.845 39.269 38.460 -0.061 0.000 1.168 1099 Y HN 0.044 nan 8.280 nan 0.000 0.502 1100 R N 2.478 122.867 120.500 -0.185 0.000 2.091 1100 R HA -0.139 4.204 4.340 0.005 0.000 0.238 1100 R C -0.890 175.109 176.300 -0.501 0.000 1.136 1100 R CA 1.775 57.629 56.100 -0.411 0.000 0.959 1100 R CB -0.296 29.592 30.300 -0.687 0.000 0.856 1100 R HN 0.542 nan 8.270 nan 0.000 0.437 1101 Y N 0.330 120.656 120.300 0.044 0.000 2.376 1101 Y HA 0.456 5.009 4.550 0.005 0.000 0.326 1101 Y C -2.198 173.784 175.900 0.136 0.000 0.970 1101 Y CA -3.955 54.172 58.100 0.044 0.000 1.248 1101 Y CB 1.245 39.671 38.460 -0.056 0.000 1.117 1101 Y HN 0.052 nan 8.280 nan 0.000 0.476 1102 P HA 0.138 nan 4.420 nan 0.000 0.269 1102 P C 0.296 177.645 177.300 0.082 0.000 1.209 1102 P CA 0.054 63.214 63.100 0.100 0.000 0.776 1102 P CB 1.029 32.727 31.700 -0.004 0.000 0.876 1103 L N 0.632 121.838 121.223 -0.028 0.000 2.766 1103 L HA 0.288 4.631 4.340 0.005 0.000 0.242 1103 L C 0.115 176.948 176.870 -0.061 0.000 1.136 1103 L CA 0.008 54.843 54.840 -0.008 0.000 0.933 1103 L CB 0.357 42.415 42.059 -0.002 0.000 1.241 1103 L HN 0.078 nan 8.230 nan 0.000 0.522 1104 V N 0.301 120.139 119.914 -0.127 0.000 2.524 1104 V HA 0.261 4.384 4.120 0.005 0.000 0.297 1104 V C -1.119 174.894 176.094 -0.136 0.000 1.035 1104 V CA -0.644 61.582 62.300 -0.124 0.000 0.867 1104 V CB 2.499 34.203 31.823 -0.198 0.000 1.004 1104 V HN 0.009 nan 8.190 nan 0.000 0.426 1105 D N 3.650 124.038 120.400 -0.021 0.000 2.304 1105 D HA 0.558 5.200 4.640 0.005 0.000 0.250 1105 D C 0.246 176.569 176.300 0.038 0.000 1.107 1105 D CA 0.391 54.418 54.000 0.045 0.000 0.885 1105 D CB 1.823 42.725 40.800 0.169 0.000 1.192 1105 D HN 0.699 nan 8.370 nan 0.000 0.436 1106 G N 2.154 110.899 108.800 -0.092 0.000 2.542 1106 G HA2 0.465 4.428 3.960 0.005 0.000 0.311 1106 G HA3 0.465 4.428 3.960 0.005 0.000 0.311 1106 G C -1.275 173.528 174.900 -0.162 0.000 1.298 1106 G CA -0.763 44.233 45.100 -0.172 0.000 0.973 1106 G HN 0.482 nan 8.290 nan 0.000 0.487 1107 Q N 1.021 120.563 119.800 -0.431 0.000 2.348 1107 Q HA 0.656 4.999 4.340 0.005 0.000 0.265 1107 Q C 0.189 176.139 176.000 -0.083 0.000 0.998 1107 Q CA 0.437 56.003 55.803 -0.394 0.000 0.831 1107 Q CB 1.204 29.455 28.738 -0.811 0.000 1.251 1107 Q HN 1.577 nan 8.270 nan 0.000 0.456 1108 G N 2.853 111.647 108.800 -0.010 0.000 2.347 1108 G HA2 -0.108 3.855 3.960 0.005 0.000 0.341 1108 G HA3 -0.108 3.855 3.960 0.005 0.000 0.341 1108 G C -1.449 173.397 174.900 -0.090 0.000 1.287 1108 G CA -0.813 44.217 45.100 -0.115 0.000 0.984 1108 G HN 0.688 nan 8.290 nan 0.000 0.526 1109 N N 0.133 118.732 118.700 -0.169 0.000 2.421 1109 N HA 0.395 5.138 4.740 0.005 0.000 0.260 1109 N C 0.086 175.491 175.510 -0.174 0.000 1.173 1109 N CA -0.407 52.586 53.050 -0.095 0.000 0.960 1109 N CB -0.477 37.957 38.487 -0.088 0.000 1.273 1109 N HN 0.378 nan 8.380 nan 0.000 0.497 1110 F N 2.167 122.128 119.950 0.018 0.000 2.668 1110 F HA 0.360 4.890 4.527 0.004 0.000 0.297 1110 F C 1.613 177.439 175.800 0.044 0.000 1.124 1110 F CA 0.405 58.404 58.000 -0.001 0.000 1.353 1110 F CB -0.090 38.873 39.000 -0.062 0.000 0.992 1110 F HN 0.631 nan 8.300 nan 0.000 0.524 1111 G N 0.648 109.565 108.800 0.194 0.000 2.795 1111 G HA2 -0.028 3.935 3.960 0.005 0.000 0.664 1111 G HA3 -0.028 3.935 3.960 0.005 0.000 0.664 1111 G C -0.373 174.719 174.900 0.320 0.000 1.381 1111 G CA -0.541 44.681 45.100 0.202 0.000 0.853 1111 G HN 0.518 nan 8.290 nan 0.000 0.545 1112 S N -1.139 114.680 115.700 0.199 0.000 2.745 1112 S HA 0.725 5.198 4.470 0.005 0.000 0.306 1112 S C 0.956 175.355 174.600 -0.337 0.000 1.137 1112 S CA -0.234 57.989 58.200 0.038 0.000 0.900 1112 S CB 1.719 64.912 63.200 -0.010 0.000 1.176 1112 S HN 0.925 nan 8.310 nan 0.000 0.520 1113 M N 0.745 119.966 119.600 -0.632 0.000 2.654 1113 M HA 0.258 4.740 4.480 0.005 0.000 0.217 1113 M C -0.501 175.631 176.300 -0.279 0.000 1.183 1113 M CA 0.248 55.176 55.300 -0.619 0.000 0.991 1113 M CB -0.793 31.448 32.600 -0.599 0.000 1.749 1113 M HN 0.454 nan 8.290 nan 0.000 0.475 1114 D N 0.223 120.515 120.400 -0.180 0.000 2.402 1114 D HA 0.258 4.901 4.640 0.005 0.000 0.216 1114 D C 1.513 177.769 176.300 -0.073 0.000 1.128 1114 D CA 0.566 54.504 54.000 -0.103 0.000 0.833 1114 D CB 0.659 41.418 40.800 -0.067 0.000 0.971 1114 D HN 0.462 nan 8.370 nan 0.000 0.503 1115 G N 0.633 109.386 108.800 -0.079 0.000 2.225 1115 G HA2 -0.263 3.700 3.960 0.005 0.000 0.254 1115 G HA3 -0.263 3.700 3.960 0.005 0.000 0.254 1115 G C 0.032 174.925 174.900 -0.012 0.000 0.988 1115 G CA -0.096 44.978 45.100 -0.043 0.000 0.625 1115 G HN 0.278 nan 8.290 nan 0.000 0.527 1116 D N 1.182 121.577 120.400 -0.007 0.000 2.399 1116 D HA 0.503 5.146 4.640 0.005 0.000 0.241 1116 D C 0.884 177.207 176.300 0.039 0.000 1.133 1116 D CA 1.088 55.096 54.000 0.013 0.000 0.890 1116 D CB 1.084 41.891 40.800 0.011 0.000 1.201 1116 D HN 0.540 nan 8.370 nan 0.000 0.432 1117 G N -0.587 108.239 108.800 0.043 0.000 2.441 1117 G HA2 0.564 4.527 3.960 0.005 0.000 0.334 1117 G HA3 0.564 4.527 3.960 0.005 0.000 0.334 1117 G C -0.205 174.728 174.900 0.054 0.000 1.161 1117 G CA -0.553 44.579 45.100 0.053 0.000 0.935 1117 G HN 0.575 nan 8.290 nan 0.000 0.488 1118 A N 0.064 122.913 122.820 0.048 0.000 2.577 1118 A HA 0.499 4.822 4.320 0.005 0.000 0.233 1118 A C 1.231 178.844 177.584 0.048 0.000 1.076 1118 A CA 0.720 52.765 52.037 0.013 0.000 0.767 1118 A CB -0.257 18.706 19.000 -0.062 0.000 1.017 1118 A HN 1.986 nan 8.150 nan 0.000 0.511 1119 A N 0.480 123.318 122.820 0.030 0.000 2.346 1119 A HA 0.580 4.903 4.320 0.005 0.000 0.252 1119 A C 1.014 178.739 177.584 0.234 0.000 1.089 1119 A CA 0.126 52.248 52.037 0.142 0.000 0.797 1119 A CB -0.437 18.637 19.000 0.123 0.000 1.047 1119 A HN 2.364 nan 8.150 nan 0.000 0.494 1120 A N 0.608 123.583 122.820 0.260 0.000 2.475 1120 A HA 0.298 4.620 4.320 0.005 0.000 0.239 1120 A C 1.358 178.863 177.584 -0.132 0.000 1.087 1120 A CA 0.604 52.688 52.037 0.077 0.000 0.779 1120 A CB -0.331 18.628 19.000 -0.068 0.000 1.036 1120 A HN 1.075 nan 8.150 nan 0.000 0.506 1121 M N -0.026 119.291 119.600 -0.472 0.000 2.108 1121 M HA -0.244 4.239 4.480 0.005 0.000 0.257 1121 M C 2.267 178.308 176.300 -0.432 0.000 1.071 1121 M CA 2.487 57.306 55.300 -0.801 0.000 1.093 1121 M CB -0.280 31.900 32.600 -0.700 0.000 1.345 1121 M HN 0.899 nan 8.290 nan 0.000 0.403 1122 R N -0.407 119.838 120.500 -0.425 0.000 2.117 1122 R HA -0.202 4.140 4.340 0.005 0.000 0.243 1122 R C 1.578 177.635 176.300 -0.405 0.000 1.143 1122 R CA 2.152 57.976 56.100 -0.460 0.000 0.968 1122 R CB -0.565 29.364 30.300 -0.619 0.000 0.863 1122 R HN 0.417 nan 8.270 nan 0.000 0.444 1123 F N 0.726 120.606 119.950 -0.116 0.000 2.188 1123 F HA 0.058 4.588 4.527 0.004 0.000 0.289 1123 F C 1.360 177.091 175.800 -0.115 0.000 1.082 1123 F CA 0.553 58.493 58.000 -0.099 0.000 1.282 1123 F CB -0.277 38.666 39.000 -0.095 0.000 1.060 1123 F HN 0.052 nan 8.300 nan 0.000 0.493 1124 T N -0.367 114.209 114.554 0.037 0.000 2.904 1124 T HA 0.400 4.753 4.350 0.005 0.000 0.290 1124 T C -0.444 174.230 174.700 -0.042 0.000 1.018 1124 T CA -0.691 61.353 62.100 -0.092 0.000 1.075 1124 T CB 1.648 70.334 68.868 -0.302 0.000 0.986 1124 T HN 0.109 nan 8.240 nan 0.000 0.523 1125 E N 0.073 120.244 120.200 -0.048 0.000 2.316 1125 E HA 0.744 5.097 4.350 0.005 0.000 0.258 1125 E C -0.895 175.721 176.600 0.026 0.000 0.952 1125 E CA -1.482 54.921 56.400 0.006 0.000 0.818 1125 E CB 2.070 31.785 29.700 0.025 0.000 1.260 1125 E HN 0.995 nan 8.360 nan 0.000 0.416 1126 A N 0.957 123.861 122.820 0.140 0.000 2.583 1126 A HA 0.523 4.845 4.320 0.005 0.000 0.298 1126 A C -1.080 176.677 177.584 0.289 0.000 1.055 1126 A CA -0.855 51.306 52.037 0.208 0.000 0.714 1126 A CB 1.153 20.295 19.000 0.237 0.000 1.277 1126 A HN 0.686 nan 8.150 nan 0.000 0.406 1127 R N 1.265 121.950 120.500 0.309 0.000 3.288 1127 R HA 0.859 5.202 4.340 0.005 0.000 0.245 1127 R C -0.245 176.120 176.300 0.108 0.000 1.436 1127 R CA -0.874 55.339 56.100 0.189 0.000 1.036 1127 R CB 0.563 30.961 30.300 0.162 0.000 1.500 1127 R HN 0.632 nan 8.270 nan 0.000 0.493 1128 M N 1.759 121.403 119.600 0.074 0.000 2.247 1128 M HA 0.217 4.700 4.480 0.005 0.000 0.326 1128 M C -0.414 175.921 176.300 0.059 0.000 1.134 1128 M CA -0.036 55.296 55.300 0.053 0.000 1.136 1128 M CB 1.512 34.141 32.600 0.048 0.000 1.454 1128 M HN 0.797 nan 8.290 nan 0.000 0.467 1129 T N -0.279 114.307 114.554 0.053 0.000 2.927 1129 T HA 0.384 4.737 4.350 0.005 0.000 0.281 1129 T C 0.642 175.398 174.700 0.093 0.000 0.998 1129 T CA -0.965 61.178 62.100 0.071 0.000 1.019 1129 T CB 1.055 69.963 68.868 0.067 0.000 1.061 1129 T HN 0.679 nan 8.240 nan 0.000 0.518 1130 K N 0.202 120.685 120.400 0.138 0.000 2.209 1130 K HA 0.015 4.338 4.320 0.005 0.000 0.204 1130 K C 1.941 178.670 176.600 0.215 0.000 1.048 1130 K CA 0.987 57.396 56.287 0.203 0.000 0.940 1130 K CB -0.370 32.284 32.500 0.256 0.000 0.729 1130 K HN 0.614 nan 8.250 nan 0.000 0.451 1131 I N 0.926 121.550 120.570 0.090 0.000 2.761 1131 I HA -0.152 4.020 4.170 0.005 0.000 0.261 1131 I C 0.970 177.044 176.117 -0.071 0.000 1.198 1131 I CA 1.153 62.255 61.300 -0.330 0.000 1.482 1131 I CB 0.108 37.832 38.000 -0.460 0.000 1.100 1131 I HN 0.033 nan 8.210 nan 0.000 0.445 1132 T N 1.413 115.996 114.554 0.047 0.000 3.113 1132 T HA 0.119 4.472 4.350 0.005 0.000 0.256 1132 T C 1.757 176.505 174.700 0.080 0.000 1.131 1132 T CA 0.398 62.551 62.100 0.089 0.000 1.074 1132 T CB 0.028 68.938 68.868 0.069 0.000 0.944 1132 T HN 0.311 nan 8.240 nan 0.000 0.516 1133 L N 0.627 121.898 121.223 0.079 0.000 2.313 1133 L HA 0.050 4.393 4.340 0.005 0.000 0.214 1133 L C 2.476 179.400 176.870 0.091 0.000 1.119 1133 L CA 0.893 55.785 54.840 0.087 0.000 0.809 1133 L CB -0.188 41.932 42.059 0.102 0.000 0.933 1133 L HN 0.181 nan 8.230 nan 0.000 0.449 1134 E N 0.129 120.381 120.200 0.086 0.000 2.216 1134 E HA -0.080 4.273 4.350 0.005 0.000 0.192 1134 E C 2.314 178.970 176.600 0.094 0.000 0.988 1134 E CA 0.653 57.113 56.400 0.101 0.000 0.834 1134 E CB 0.087 29.828 29.700 0.068 0.000 0.772 1134 E HN 0.493 nan 8.360 nan 0.000 0.479 1135 L N 0.155 121.421 121.223 0.072 0.000 2.093 1135 L HA -0.103 4.239 4.340 0.005 0.000 0.208 1135 L C 2.161 179.054 176.870 0.038 0.000 1.085 1135 L CA 0.901 55.741 54.840 -0.001 0.000 0.755 1135 L CB -0.224 41.823 42.059 -0.020 0.000 0.904 1135 L HN 0.076 nan 8.230 nan 0.000 0.435 1136 L N -0.923 120.341 121.223 0.067 0.000 2.607 1136 L HA 0.106 4.449 4.340 0.005 0.000 0.228 1136 L C 1.157 178.076 176.870 0.082 0.000 1.123 1136 L CA -0.246 54.647 54.840 0.088 0.000 0.890 1136 L CB -0.096 42.026 42.059 0.105 0.000 1.103 1136 L HN 0.108 nan 8.230 nan 0.000 0.468 1137 R N 1.436 121.979 120.500 0.071 0.000 2.484 1137 R HA -0.053 4.290 4.340 0.005 0.000 0.293 1137 R C -0.129 176.204 176.300 0.055 0.000 1.023 1137 R CA 0.573 56.715 56.100 0.070 0.000 1.037 1137 R CB 0.137 30.482 30.300 0.075 0.000 0.951 1137 R HN 0.197 nan 8.270 nan 0.000 0.418 1138 D N 2.407 122.846 120.400 0.064 0.000 3.070 1138 D HA -0.248 4.395 4.640 0.005 0.000 0.210 1138 D C 0.638 176.960 176.300 0.036 0.000 1.103 1138 D CA 1.194 55.227 54.000 0.054 0.000 0.980 1138 D CB -1.295 39.523 40.800 0.030 0.000 1.100 1138 D HN 0.678 nan 8.370 nan 0.000 0.423 1139 I N 0.075 120.683 120.570 0.064 0.000 2.617 1139 I HA -0.109 4.064 4.170 0.005 0.000 0.256 1139 I C 1.441 177.629 176.117 0.118 0.000 1.167 1139 I CA 0.942 62.286 61.300 0.073 0.000 1.469 1139 I CB 0.119 38.209 38.000 0.150 0.000 1.098 1139 I HN -0.058 nan 8.210 nan 0.000 0.436 1140 N N 1.231 120.012 118.700 0.134 0.000 2.398 1140 N HA -0.022 4.721 4.740 0.005 0.000 0.188 1140 N C 0.234 175.738 175.510 -0.010 0.000 1.122 1140 N CA 0.411 53.545 53.050 0.140 0.000 0.866 1140 N CB 0.217 38.786 38.487 0.137 0.000 0.970 1140 N HN 0.235 nan 8.380 nan 0.000 0.462 1141 K N 1.124 121.483 120.400 -0.068 0.000 2.994 1141 K HA 0.087 4.410 4.320 0.005 0.000 0.231 1141 K C -0.431 175.858 176.600 -0.518 0.000 1.174 1141 K CA -0.278 55.864 56.287 -0.240 0.000 1.221 1141 K CB -0.211 32.387 32.500 0.162 0.000 1.166 1141 K HN -0.135 nan 8.250 nan 0.000 0.453 1142 D N 0.387 120.490 120.400 -0.496 0.000 2.697 1142 D HA -0.192 4.451 4.640 0.005 0.000 0.238 1142 D C 0.536 176.696 176.300 -0.234 0.000 1.152 1142 D CA 1.394 55.166 54.000 -0.380 0.000 0.666 1142 D CB -0.766 39.759 40.800 -0.459 0.000 1.037 1142 D HN 0.526 nan 8.370 nan 0.000 0.423 1143 T N -2.554 111.870 114.554 -0.218 0.000 3.156 1143 T HA 0.258 4.611 4.350 0.005 0.000 0.236 1143 T C 1.304 175.875 174.700 -0.214 0.000 0.978 1143 T CA 0.515 62.509 62.100 -0.176 0.000 1.240 1143 T CB -0.091 68.688 68.868 -0.149 0.000 0.951 1143 T HN 0.300 nan 8.240 nan 0.000 0.420 1144 I N 0.729 121.130 120.570 -0.282 0.000 2.918 1144 I HA 0.684 4.857 4.170 0.005 0.000 0.316 1144 I C -1.190 174.630 176.117 -0.496 0.000 1.001 1144 I CA -1.227 59.893 61.300 -0.300 0.000 1.142 1144 I CB 0.474 38.343 38.000 -0.218 0.000 1.356 1144 I HN -0.079 nan 8.210 nan 0.000 0.524 1145 D N 2.214 122.385 120.400 -0.382 0.000 2.175 1145 D HA 0.415 5.057 4.640 0.005 0.000 0.248 1145 D C -1.030 175.039 176.300 -0.385 0.000 1.047 1145 D CA 0.303 54.091 54.000 -0.352 0.000 0.883 1145 D CB 1.026 41.734 40.800 -0.153 0.000 1.180 1145 D HN 0.408 nan 8.370 nan 0.000 0.438 1146 F N 1.136 121.049 119.950 -0.062 0.000 2.436 1146 F HA 0.425 4.954 4.527 0.004 0.000 0.340 1146 F C 0.596 176.371 175.800 -0.041 0.000 1.113 1146 F CA -1.154 56.803 58.000 -0.072 0.000 1.022 1146 F CB 1.171 40.128 39.000 -0.071 0.000 1.128 1146 F HN 0.078 nan 8.300 nan 0.000 0.466 1147 I N -0.365 120.306 120.570 0.169 0.000 2.441 1147 I HA 0.477 4.650 4.170 0.005 0.000 0.295 1147 I C -0.762 175.412 176.117 0.095 0.000 0.994 1147 I CA -1.180 60.183 61.300 0.105 0.000 1.144 1147 I CB 1.232 39.278 38.000 0.078 0.000 1.314 1147 I HN 0.346 nan 8.210 nan 0.000 0.445 1148 D N 5.036 125.476 120.400 0.066 0.000 2.548 1148 D HA -0.041 4.601 4.640 0.005 0.000 0.231 1148 D C 0.535 176.881 176.300 0.077 0.000 1.142 1148 D CA 0.491 54.517 54.000 0.043 0.000 0.866 1148 D CB 0.403 41.211 40.800 0.014 0.000 1.190 1148 D HN 0.722 nan 8.370 nan 0.000 0.469 1149 N N 1.428 120.172 118.700 0.073 0.000 2.255 1149 N HA -0.162 4.580 4.740 0.005 0.000 0.260 1149 N C 1.103 176.680 175.510 0.112 0.000 1.288 1149 N CA 0.134 53.259 53.050 0.124 0.000 0.894 1149 N CB -0.460 38.072 38.487 0.075 0.000 1.033 1149 N HN 0.588 nan 8.380 nan 0.000 0.477 1150 Y N -2.768 117.577 120.300 0.075 0.000 2.571 1150 Y HA 0.173 4.725 4.550 0.004 0.000 0.294 1150 Y C 0.153 176.129 175.900 0.126 0.000 1.141 1150 Y CA 0.753 58.906 58.100 0.088 0.000 1.308 1150 Y CB -0.399 38.069 38.460 0.014 0.000 1.002 1150 Y HN 0.537 nan 8.280 nan 0.000 0.551 1151 D N -1.787 118.405 120.400 -0.347 0.000 2.602 1151 D HA 0.183 4.826 4.640 0.005 0.000 0.265 1151 D C 1.493 177.721 176.300 -0.119 0.000 1.454 1151 D CA -0.062 53.803 54.000 -0.225 0.000 0.795 1151 D CB -0.083 40.466 40.800 -0.418 0.000 1.140 1151 D HN 0.355 nan 8.370 nan 0.000 0.486 1152 G N 0.845 109.591 108.800 -0.090 0.000 2.168 1152 G HA2 -0.401 3.562 3.960 0.005 0.000 0.263 1152 G HA3 -0.401 3.562 3.960 0.005 0.000 0.263 1152 G C 0.927 175.751 174.900 -0.126 0.000 0.977 1152 G CA 0.685 45.740 45.100 -0.074 0.000 0.659 1152 G HN 0.392 nan 8.290 nan 0.000 0.533 1153 N N 0.382 118.989 118.700 -0.156 0.000 2.387 1153 N HA 0.152 4.895 4.740 0.005 0.000 0.176 1153 N C 0.907 176.335 175.510 -0.137 0.000 1.022 1153 N CA 1.121 54.081 53.050 -0.151 0.000 0.883 1153 N CB 0.191 38.573 38.487 -0.174 0.000 1.019 1153 N HN 0.658 nan 8.380 nan 0.000 0.435 1154 E N 0.126 120.242 120.200 -0.139 0.000 2.281 1154 E HA 0.404 4.757 4.350 0.005 0.000 0.262 1154 E C -0.707 175.879 176.600 -0.024 0.000 0.933 1154 E CA -0.755 55.593 56.400 -0.087 0.000 0.809 1154 E CB 2.084 31.703 29.700 -0.135 0.000 1.242 1154 E HN -0.152 nan 8.360 nan 0.000 0.418 1155 R N 1.414 121.915 120.500 0.002 0.000 2.360 1155 R HA 0.200 4.543 4.340 0.005 0.000 0.318 1155 R C -0.680 175.569 176.300 -0.085 0.000 0.950 1155 R CA -0.249 55.805 56.100 -0.077 0.000 0.837 1155 R CB 0.722 30.901 30.300 -0.201 0.000 1.165 1155 R HN 0.691 nan 8.270 nan 0.000 0.458 1156 E N 4.177 124.350 120.200 -0.045 0.000 2.370 1156 E HA 0.735 5.088 4.350 0.005 0.000 0.259 1156 E C -2.706 173.897 176.600 0.006 0.000 0.947 1156 E CA -2.464 53.857 56.400 -0.131 0.000 0.809 1156 E CB 2.653 32.408 29.700 0.092 0.000 1.300 1156 E HN 0.245 nan 8.360 nan 0.000 0.419 1157 P HA 0.176 nan 4.420 nan 0.000 0.304 1157 P C -0.157 177.129 177.300 -0.023 0.000 1.365 1157 P CA -0.756 62.367 63.100 0.039 0.000 0.935 1157 P CB 1.822 33.429 31.700 -0.154 0.000 1.091 1158 S N 1.585 117.271 115.700 -0.022 0.000 2.489 1158 S HA 0.221 4.694 4.470 0.005 0.000 0.228 1158 S C 0.652 175.225 174.600 -0.045 0.000 0.995 1158 S CA 0.238 58.423 58.200 -0.024 0.000 0.934 1158 S CB -0.290 62.895 63.200 -0.026 0.000 0.771 1158 S HN 0.429 nan 8.310 nan 0.000 0.522 1159 V N 0.171 120.047 119.914 -0.063 0.000 3.155 1159 V HA 0.375 4.498 4.120 0.005 0.000 0.272 1159 V C -2.216 173.858 176.094 -0.032 0.000 1.639 1159 V CA -1.136 61.132 62.300 -0.054 0.000 1.006 1159 V CB 1.685 33.459 31.823 -0.081 0.000 1.244 1159 V HN 0.270 nan 8.190 nan 0.000 0.458 1160 L N 5.282 126.508 121.223 0.005 0.000 2.344 1160 L HA 0.648 4.991 4.340 0.005 0.000 0.272 1160 L C -1.868 175.075 176.870 0.123 0.000 1.035 1160 L CA -1.780 53.083 54.840 0.037 0.000 0.807 1160 L CB 0.945 43.025 42.059 0.034 0.000 1.237 1160 L HN 0.399 nan 8.230 nan 0.000 0.442 1161 P HA -0.072 nan 4.420 nan 0.000 0.236 1161 P C 0.188 177.497 177.300 0.015 0.000 1.172 1161 P CA 0.315 63.413 63.100 -0.004 0.000 0.759 1161 P CB -0.018 31.653 31.700 -0.048 0.000 0.843 1162 A N 1.191 124.044 122.820 0.056 0.000 1.700 1162 A HA -0.221 4.102 4.320 0.005 0.000 0.334 1162 A C 1.112 178.723 177.584 0.045 0.000 0.978 1162 A CA 0.606 52.633 52.037 -0.016 0.000 1.490 1162 A CB -0.601 18.388 19.000 -0.018 0.000 0.700 1162 A HN 0.150 nan 8.150 nan 0.000 0.210 1163 R N 0.931 121.457 120.500 0.044 0.000 2.404 1163 R HA 0.229 4.572 4.340 0.005 0.000 0.236 1163 R C -0.123 176.364 176.300 0.312 0.000 1.044 1163 R CA 0.574 56.753 56.100 0.132 0.000 1.133 1163 R CB -1.292 29.073 30.300 0.109 0.000 1.142 1163 R HN 0.915 nan 8.270 nan 0.000 0.512 1164 F N -2.720 117.363 119.950 0.222 0.000 2.654 1164 F HA 0.517 5.046 4.527 0.003 0.000 0.308 1164 F C -2.923 172.884 175.800 0.013 0.000 1.108 1164 F CA -3.259 54.826 58.000 0.142 0.000 0.957 1164 F CB 1.511 40.483 39.000 -0.046 0.000 1.309 1164 F HN -0.277 nan 8.300 nan 0.000 0.446 1165 P HA 0.184 nan 4.420 nan 0.000 0.230 1165 P C 0.089 177.245 177.300 -0.241 0.000 1.791 1165 P CA 0.232 62.855 63.100 -0.794 0.000 1.020 1165 P CB 0.133 31.234 31.700 -0.999 0.000 1.977 1166 N N 1.468 119.994 118.700 -0.291 0.000 2.247 1166 N HA -0.222 4.520 4.740 0.005 0.000 0.189 1166 N C 1.400 176.904 175.510 -0.009 0.000 1.009 1166 N CA 0.972 53.956 53.050 -0.110 0.000 0.872 1166 N CB -0.497 37.819 38.487 -0.285 0.000 0.980 1166 N HN 0.135 nan 8.380 nan 0.000 0.436 1167 L N 0.168 121.353 121.223 -0.064 0.000 1.970 1167 L HA -0.088 4.255 4.340 0.005 0.000 0.212 1167 L C 1.905 178.762 176.870 -0.021 0.000 1.071 1167 L CA 1.689 56.509 54.840 -0.033 0.000 0.751 1167 L CB -0.723 41.309 42.059 -0.044 0.000 0.889 1167 L HN 0.287 nan 8.230 nan 0.000 0.432 1168 L N -0.896 120.290 121.223 -0.062 0.000 2.049 1168 L HA -0.068 4.275 4.340 0.005 0.000 0.203 1168 L C 2.715 179.644 176.870 0.098 0.000 1.074 1168 L CA 1.054 55.875 54.840 -0.031 0.000 0.749 1168 L CB -0.955 40.959 42.059 -0.241 0.000 0.907 1168 L HN 0.385 nan 8.230 nan 0.000 0.439 1169 A N 0.234 123.115 122.820 0.102 0.000 1.954 1169 A HA -0.295 4.028 4.320 0.005 0.000 0.222 1169 A C 2.033 179.713 177.584 0.160 0.000 1.199 1169 A CA 2.631 54.817 52.037 0.250 0.000 0.657 1169 A CB -0.517 18.752 19.000 0.448 0.000 0.823 1169 A HN 0.523 nan 8.150 nan 0.000 0.463 1170 N N -2.101 116.642 118.700 0.071 0.000 2.516 1170 N HA 0.239 4.982 4.740 0.005 0.000 0.197 1170 N C 0.795 176.163 175.510 -0.236 0.000 1.064 1170 N CA 1.160 54.119 53.050 -0.151 0.000 0.866 1170 N CB 0.354 38.726 38.487 -0.192 0.000 1.255 1170 N HN 0.795 nan 8.380 nan 0.000 0.447 1171 G N 1.051 109.786 108.800 -0.108 0.000 3.000 1171 G HA2 0.097 4.060 3.960 0.005 0.000 0.686 1171 G HA3 0.097 4.060 3.960 0.005 0.000 0.686 1171 G C -0.483 174.382 174.900 -0.058 0.000 1.114 1171 G CA 0.020 45.085 45.100 -0.059 0.000 0.902 1171 G HN 0.507 nan 8.290 nan 0.000 0.564 1172 A N 1.532 124.371 122.820 0.032 0.000 2.344 1172 A HA 1.131 5.453 4.320 0.005 0.000 0.307 1172 A C 0.510 178.160 177.584 0.111 0.000 1.151 1172 A CA 0.394 52.480 52.037 0.081 0.000 0.842 1172 A CB 1.948 21.026 19.000 0.129 0.000 1.350 1172 A HN 2.667 nan 8.150 nan 0.000 0.459 1173 S N -1.037 114.731 115.700 0.113 0.000 2.590 1173 S HA 0.648 5.121 4.470 0.005 0.000 0.286 1173 S C -0.625 174.015 174.600 0.066 0.000 1.147 1173 S CA 0.091 58.344 58.200 0.088 0.000 0.963 1173 S CB 0.694 63.939 63.200 0.075 0.000 1.124 1173 S HN 2.330 nan 8.310 nan 0.000 0.458 1174 G N 1.675 110.505 108.800 0.050 0.000 2.720 1174 G HA2 0.622 4.584 3.960 0.005 0.000 0.295 1174 G HA3 0.622 4.584 3.960 0.005 0.000 0.295 1174 G C -1.599 173.315 174.900 0.023 0.000 1.437 1174 G CA -0.806 44.314 45.100 0.033 0.000 0.886 1174 G HN 0.708 nan 8.290 nan 0.000 0.509 1175 I N 1.532 122.111 120.570 0.015 0.000 2.395 1175 I HA 0.563 4.736 4.170 0.005 0.000 0.289 1175 I C 1.019 177.141 176.117 0.007 0.000 1.023 1175 I CA 0.219 61.529 61.300 0.017 0.000 1.350 1175 I CB 1.454 39.466 38.000 0.020 0.000 1.409 1175 I HN 0.741 nan 8.210 nan 0.000 0.507 1176 A N 5.755 128.583 122.820 0.014 0.000 3.596 1176 A HA 0.876 5.199 4.320 0.005 0.000 0.189 1176 A C -0.605 176.992 177.584 0.023 0.000 1.478 1176 A CA -0.240 51.794 52.037 -0.004 0.000 1.680 1176 A CB 0.515 19.513 19.000 -0.003 0.000 1.562 1176 A HN 0.411 nan 8.150 nan 0.000 0.575 1177 V N -2.171 117.765 119.914 0.037 0.000 2.482 1177 V HA 0.623 4.745 4.120 0.005 0.000 0.295 1177 V C 0.769 176.940 176.094 0.128 0.000 1.026 1177 V CA -0.092 62.270 62.300 0.102 0.000 0.856 1177 V CB 0.067 31.949 31.823 0.099 0.000 1.001 1177 V HN 2.205 nan 8.190 nan 0.000 0.424 1178 G N 3.730 112.611 108.800 0.136 0.000 2.189 1178 G HA2 -0.221 3.742 3.960 0.005 0.000 0.267 1178 G HA3 -0.221 3.742 3.960 0.005 0.000 0.267 1178 G C -0.083 174.872 174.900 0.092 0.000 0.975 1178 G CA 0.907 46.079 45.100 0.121 0.000 0.644 1178 G HN 1.478 nan 8.290 nan 0.000 0.537 1179 M N -2.588 117.060 119.600 0.079 0.000 2.605 1179 M HA 0.749 5.232 4.480 0.005 0.000 0.281 1179 M C -0.882 175.450 176.300 0.053 0.000 1.166 1179 M CA -0.388 54.950 55.300 0.063 0.000 0.875 1179 M CB 1.395 34.033 32.600 0.062 0.000 1.732 1179 M HN 1.467 nan 8.290 nan 0.000 0.504 1180 A N 0.906 123.755 122.820 0.048 0.000 2.530 1180 A HA 1.004 5.326 4.320 0.005 0.000 0.288 1180 A C -1.073 176.539 177.584 0.047 0.000 1.172 1180 A CA -0.680 51.383 52.037 0.043 0.000 0.733 1180 A CB 2.189 21.213 19.000 0.040 0.000 1.320 1180 A HN 0.917 nan 8.150 nan 0.000 0.419 1181 T N 0.162 114.746 114.554 0.049 0.000 2.901 1181 T HA 0.671 5.024 4.350 0.005 0.000 0.293 1181 T C -1.700 173.052 174.700 0.086 0.000 1.084 1181 T CA -0.542 61.597 62.100 0.065 0.000 1.008 1181 T CB 1.120 70.022 68.868 0.057 0.000 1.170 1181 T HN 0.668 nan 8.240 nan 0.000 0.509 1182 N N 2.124 120.904 118.700 0.133 0.000 2.777 1182 N HA 0.382 5.125 4.740 0.005 0.000 0.260 1182 N C -2.040 173.663 175.510 0.322 0.000 1.113 1182 N CA -0.292 52.892 53.050 0.222 0.000 0.996 1182 N CB 0.931 39.547 38.487 0.215 0.000 1.584 1182 N HN 0.467 nan 8.380 nan 0.000 0.573 1183 I N 4.337 125.087 120.570 0.301 0.000 2.478 1183 I HA 0.439 4.612 4.170 0.005 0.000 0.287 1183 I C -2.128 174.066 176.117 0.128 0.000 1.042 1183 I CA -1.666 59.736 61.300 0.170 0.000 1.067 1183 I CB 2.209 40.265 38.000 0.094 0.000 1.233 1183 I HN 0.247 nan 8.210 nan 0.000 0.431 1184 P HA 0.252 nan 4.420 nan 0.000 0.274 1184 P C -2.738 174.237 177.300 -0.543 0.000 1.237 1184 P CA -1.552 61.202 63.100 -0.576 0.000 0.793 1184 P CB -0.016 30.992 31.700 -1.154 0.000 0.977 1185 P HA 0.235 nan 4.420 nan 0.000 0.278 1185 P C -0.842 176.083 177.300 -0.624 0.000 1.238 1185 P CA 0.172 62.962 63.100 -0.517 0.000 0.794 1185 P CB 0.516 31.837 31.700 -0.630 0.000 0.955 1186 H N -0.543 118.396 119.070 -0.218 0.000 2.797 1186 H HA 0.316 4.874 4.556 0.004 0.000 0.372 1186 H C 0.457 175.768 175.328 -0.029 0.000 1.168 1186 H CA -0.729 55.246 56.048 -0.121 0.000 1.163 1186 H CB 0.867 30.592 29.762 -0.062 0.000 1.778 1186 H HN 0.347 nan 8.280 nan 0.000 0.551 1187 N N 1.584 120.357 118.700 0.122 0.000 2.492 1187 N HA -0.061 4.682 4.740 0.005 0.000 0.262 1187 N C 0.685 176.305 175.510 0.183 0.000 1.202 1187 N CA 0.059 53.206 53.050 0.163 0.000 0.926 1187 N CB 0.914 39.465 38.487 0.107 0.000 1.078 1187 N HN 0.558 nan 8.380 nan 0.000 0.454 1188 L N 3.813 125.169 121.223 0.221 0.000 2.072 1188 L HA -0.037 4.306 4.340 0.005 0.000 0.205 1188 L C 2.103 178.978 176.870 0.010 0.000 1.079 1188 L CA 1.585 56.453 54.840 0.047 0.000 0.752 1188 L CB -0.702 41.219 42.059 -0.230 0.000 0.906 1188 L HN 0.645 nan 8.230 nan 0.000 0.436 1189 T N -0.653 113.914 114.554 0.021 0.000 2.803 1189 T HA -0.185 4.168 4.350 0.005 0.000 0.269 1189 T C 1.650 176.361 174.700 0.018 0.000 1.052 1189 T CA 1.639 63.748 62.100 0.015 0.000 1.136 1189 T CB -0.204 68.677 68.868 0.021 0.000 0.864 1189 T HN 0.455 nan 8.240 nan 0.000 0.467 1190 E N 0.783 121.002 120.200 0.030 0.000 2.015 1190 E HA -0.006 4.347 4.350 0.005 0.000 0.191 1190 E C 2.289 178.885 176.600 -0.006 0.000 0.991 1190 E CA 0.795 57.206 56.400 0.018 0.000 0.802 1190 E CB -0.296 29.427 29.700 0.039 0.000 0.759 1190 E HN 0.380 nan 8.360 nan 0.000 0.447 1191 L N 0.895 122.116 121.223 -0.003 0.000 2.081 1191 L HA -0.230 4.113 4.340 0.005 0.000 0.212 1191 L C 2.433 179.284 176.870 -0.032 0.000 1.080 1191 L CA 1.019 55.831 54.840 -0.047 0.000 0.754 1191 L CB -0.335 41.696 42.059 -0.047 0.000 0.893 1191 L HN 0.215 nan 8.230 nan 0.000 0.433 1192 I N -0.808 119.760 120.570 -0.003 0.000 2.339 1192 I HA -0.186 3.987 4.170 0.005 0.000 0.245 1192 I C 2.093 178.219 176.117 0.015 0.000 1.096 1192 I CA 0.612 61.925 61.300 0.021 0.000 1.408 1192 I CB -0.330 37.689 38.000 0.031 0.000 1.092 1192 I HN 0.287 nan 8.210 nan 0.000 0.423 1193 N N 1.394 120.097 118.700 0.005 0.000 2.192 1193 N HA -0.148 4.595 4.740 0.005 0.000 0.188 1193 N C 1.808 177.312 175.510 -0.009 0.000 1.013 1193 N CA 1.640 54.690 53.050 0.000 0.000 0.863 1193 N CB -0.594 37.892 38.487 -0.002 0.000 0.990 1193 N HN 0.429 nan 8.380 nan 0.000 0.430 1194 G N 0.282 109.069 108.800 -0.022 0.000 2.394 1194 G HA2 -0.117 3.846 3.960 0.005 0.000 0.215 1194 G HA3 -0.117 3.846 3.960 0.005 0.000 0.215 1194 G C 1.692 176.575 174.900 -0.028 0.000 1.165 1194 G CA 0.588 45.663 45.100 -0.042 0.000 0.784 1194 G HN 0.207 nan 8.290 nan 0.000 0.535 1195 V N 0.959 120.871 119.914 -0.003 0.000 2.453 1195 V HA -0.030 4.092 4.120 0.005 0.000 0.247 1195 V C 2.861 178.972 176.094 0.029 0.000 1.048 1195 V CA 0.994 63.313 62.300 0.032 0.000 1.049 1195 V CB -0.419 31.467 31.823 0.105 0.000 0.672 1195 V HN 0.304 nan 8.190 nan 0.000 0.457 1196 L N 0.136 121.374 121.223 0.025 0.000 2.081 1196 L HA -0.197 4.146 4.340 0.005 0.000 0.212 1196 L C 2.569 179.441 176.870 0.003 0.000 1.080 1196 L CA 1.709 56.559 54.840 0.016 0.000 0.754 1196 L CB -0.579 41.489 42.059 0.015 0.000 0.893 1196 L HN 0.318 nan 8.230 nan 0.000 0.433 1197 S N -0.120 115.578 115.700 -0.004 0.000 2.406 1197 S HA -0.117 4.355 4.470 0.005 0.000 0.228 1197 S C 1.772 176.363 174.600 -0.014 0.000 1.020 1197 S CA 1.034 59.227 58.200 -0.012 0.000 0.965 1197 S CB -0.192 62.997 63.200 -0.018 0.000 0.798 1197 S HN 0.351 nan 8.310 nan 0.000 0.488 1198 L N 2.059 123.274 121.223 -0.013 0.000 2.240 1198 L HA 0.081 4.424 4.340 0.005 0.000 0.211 1198 L C 2.115 178.977 176.870 -0.013 0.000 1.106 1198 L CA 1.715 56.546 54.840 -0.016 0.000 0.793 1198 L CB -0.672 41.378 42.059 -0.016 0.000 0.927 1198 L HN 0.318 nan 8.230 nan 0.000 0.446 1199 S N -1.217 114.479 115.700 -0.006 0.000 2.436 1199 S HA -0.075 4.398 4.470 0.005 0.000 0.228 1199 S C 1.887 176.480 174.600 -0.012 0.000 1.014 1199 S CA 0.552 58.747 58.200 -0.009 0.000 0.950 1199 S CB -0.351 62.846 63.200 -0.005 0.000 0.784 1199 S HN 0.569 nan 8.310 nan 0.000 0.504 1200 K N 1.284 121.678 120.400 -0.011 0.000 2.007 1200 K HA 0.068 4.391 4.320 0.005 0.000 0.206 1200 K C 0.487 177.079 176.600 -0.014 0.000 1.047 1200 K CA 1.103 57.383 56.287 -0.012 0.000 0.937 1200 K CB -0.238 32.256 32.500 -0.010 0.000 0.718 1200 K HN 0.449 nan 8.250 nan 0.000 0.438 1201 N N 0.471 119.162 118.700 -0.016 0.000 2.479 1201 N HA 0.140 4.883 4.740 0.005 0.000 0.261 1201 N C -2.495 173.002 175.510 -0.021 0.000 0.979 1201 N CA -2.190 50.849 53.050 -0.018 0.000 0.930 1201 N CB 1.769 40.246 38.487 -0.017 0.000 1.172 1201 N HN -0.256 nan 8.380 nan 0.000 0.499 1202 P HA 0.034 nan 4.420 nan 0.000 0.222 1202 P C 0.255 177.538 177.300 -0.028 0.000 1.153 1202 P CA 0.698 63.782 63.100 -0.027 0.000 0.798 1202 P CB 0.384 32.067 31.700 -0.027 0.000 0.796 1203 D N -0.928 119.458 120.400 -0.024 0.000 2.336 1203 D HA 0.007 4.650 4.640 0.005 0.000 0.229 1203 D C 0.586 176.872 176.300 -0.022 0.000 1.061 1203 D CA -0.366 53.620 54.000 -0.022 0.000 0.875 1203 D CB -0.815 39.974 40.800 -0.018 0.000 0.904 1203 D HN 0.004 nan 8.370 nan 0.000 0.525 1204 I N 1.065 121.620 120.570 -0.025 0.000 2.993 1204 I HA -0.130 4.043 4.170 0.005 0.000 0.301 1204 I C 0.418 176.519 176.117 -0.026 0.000 1.229 1204 I CA 0.254 61.538 61.300 -0.026 0.000 1.435 1204 I CB 0.540 38.521 38.000 -0.031 0.000 1.328 1204 I HN -0.005 nan 8.210 nan 0.000 0.584 1205 S N 7.382 123.067 115.700 -0.024 0.000 2.617 1205 S HA 0.380 4.853 4.470 0.005 0.000 0.283 1205 S C 1.430 176.014 174.600 -0.027 0.000 1.189 1205 S CA -0.698 57.490 58.200 -0.021 0.000 1.036 1205 S CB 1.335 64.527 63.200 -0.014 0.000 1.014 1205 S HN 0.541 nan 8.310 nan 0.000 0.522 1206 I N 0.919 121.476 120.570 -0.022 0.000 2.194 1206 I HA -0.164 4.009 4.170 0.005 0.000 0.246 1206 I C 2.491 178.589 176.117 -0.031 0.000 1.093 1206 I CA 2.094 63.378 61.300 -0.027 0.000 1.355 1206 I CB -2.624 35.377 38.000 0.002 0.000 1.046 1206 I HN 0.766 nan 8.210 nan 0.000 0.413 1207 A N 0.808 123.620 122.820 -0.013 0.000 1.930 1207 A HA -0.205 4.118 4.320 0.005 0.000 0.217 1207 A C 2.404 179.977 177.584 -0.018 0.000 1.175 1207 A CA 1.560 53.593 52.037 -0.006 0.000 0.627 1207 A CB -0.712 18.289 19.000 0.003 0.000 0.815 1207 A HN 0.562 nan 8.150 nan 0.000 0.443 1208 E N -0.063 120.123 120.200 -0.023 0.000 2.106 1208 E HA -0.108 4.245 4.350 0.005 0.000 0.192 1208 E C 1.786 178.363 176.600 -0.039 0.000 0.984 1208 E CA 0.795 57.180 56.400 -0.025 0.000 0.806 1208 E CB -0.195 29.491 29.700 -0.023 0.000 0.750 1208 E HN 0.612 nan 8.360 nan 0.000 0.458 1209 L N 0.236 121.424 121.223 -0.059 0.000 2.275 1209 L HA -0.108 4.235 4.340 0.005 0.000 0.215 1209 L C 2.122 178.933 176.870 -0.098 0.000 1.119 1209 L CA 0.697 55.486 54.840 -0.085 0.000 0.790 1209 L CB -0.218 41.770 42.059 -0.119 0.000 0.919 1209 L HN 0.327 nan 8.230 nan 0.000 0.443 1210 M N -1.062 118.488 119.600 -0.084 0.000 2.682 1210 M HA -0.059 4.424 4.480 0.005 0.000 0.235 1210 M C 1.372 177.656 176.300 -0.027 0.000 1.114 1210 M CA 0.720 55.980 55.300 -0.067 0.000 1.053 1210 M CB -0.139 32.445 32.600 -0.026 0.000 1.599 1210 M HN 0.228 nan 8.290 nan 0.000 0.520 1211 E N 0.676 120.860 120.200 -0.027 0.000 2.122 1211 E HA -0.114 4.239 4.350 0.005 0.000 0.190 1211 E C 1.026 177.618 176.600 -0.013 0.000 0.977 1211 E CA 0.773 57.165 56.400 -0.014 0.000 0.820 1211 E CB 0.311 30.003 29.700 -0.013 0.000 0.770 1211 E HN 0.462 nan 8.360 nan 0.000 0.462 1212 D N 0.278 120.663 120.400 -0.025 0.000 2.197 1212 D HA 0.058 4.701 4.640 0.005 0.000 0.212 1212 D C 0.614 176.902 176.300 -0.020 0.000 0.963 1212 D CA 0.649 54.637 54.000 -0.021 0.000 0.864 1212 D CB 0.410 41.193 40.800 -0.027 0.000 1.009 1212 D HN 0.055 nan 8.370 nan 0.000 0.479 1213 I N 1.962 122.503 120.570 -0.048 0.000 2.316 1213 I HA 0.123 4.296 4.170 0.005 0.000 0.286 1213 I C 0.863 176.969 176.117 -0.018 0.000 1.107 1213 I CA -0.033 61.236 61.300 -0.052 0.000 1.219 1213 I CB 0.641 38.551 38.000 -0.150 0.000 1.455 1213 I HN -0.135 nan 8.210 nan 0.000 0.498 1214 E N 3.838 124.061 120.200 0.038 0.000 2.338 1214 E HA 0.076 4.429 4.350 0.005 0.000 0.197 1214 E C 1.150 177.841 176.600 0.151 0.000 1.007 1214 E CA 0.391 56.833 56.400 0.071 0.000 0.849 1214 E CB 0.229 29.962 29.700 0.054 0.000 0.774 1214 E HN 0.896 nan 8.360 nan 0.000 0.506 1215 G N 0.596 109.519 108.800 0.205 0.000 2.302 1215 G HA2 -0.081 3.882 3.960 0.005 0.000 0.276 1215 G HA3 -0.081 3.882 3.960 0.005 0.000 0.276 1215 G C -2.919 172.079 174.900 0.163 0.000 1.316 1215 G CA -1.288 44.017 45.100 0.341 0.000 0.988 1215 G HN -0.182 nan 8.290 nan 0.000 0.479 1216 P HA 0.297 nan 4.420 nan 0.000 0.261 1216 P C -0.984 176.254 177.300 -0.104 0.000 1.183 1216 P CA 0.575 63.453 63.100 -0.371 0.000 0.761 1216 P CB 0.733 32.284 31.700 -0.247 0.000 0.785 1217 D N 3.078 123.335 120.400 -0.239 0.000 2.308 1217 D HA 0.392 5.035 4.640 0.005 0.000 0.242 1217 D C -0.872 175.306 176.300 -0.202 0.000 1.059 1217 D CA -0.436 53.537 54.000 -0.045 0.000 0.830 1217 D CB 0.445 41.227 40.800 -0.030 0.000 1.161 1217 D HN 0.089 nan 8.370 nan 0.000 0.494 1218 F N 2.866 122.678 119.950 -0.231 0.000 2.461 1218 F HA 0.400 4.930 4.527 0.005 0.000 0.332 1218 F C -1.137 174.565 175.800 -0.163 0.000 1.073 1218 F CA -1.890 55.952 58.000 -0.263 0.000 1.017 1218 F CB 1.253 40.145 39.000 -0.180 0.000 1.301 1218 F HN 0.277 nan 8.300 nan 0.000 0.492 1219 P HA -0.066 nan 4.420 nan 0.000 0.216 1219 P C 1.425 178.824 177.300 0.165 0.000 1.156 1219 P CA 1.689 64.846 63.100 0.095 0.000 0.855 1219 P CB -0.296 31.497 31.700 0.156 0.000 0.786 1220 T N -3.247 111.463 114.554 0.260 0.000 2.996 1220 T HA 0.149 4.502 4.350 0.005 0.000 0.271 1220 T C 1.132 175.896 174.700 0.107 0.000 1.126 1220 T CA 0.901 63.124 62.100 0.205 0.000 1.103 1220 T CB -0.956 68.065 68.868 0.254 0.000 0.870 1220 T HN 0.288 nan 8.240 nan 0.000 0.528 1221 A N 0.768 123.642 122.820 0.092 0.000 5.193 1221 A HA 0.281 4.604 4.320 0.005 0.000 0.277 1221 A C 1.483 179.028 177.584 -0.066 0.000 2.165 1221 A CA 0.785 52.836 52.037 0.024 0.000 0.716 1221 A CB -1.956 17.058 19.000 0.023 0.000 1.132 1221 A HN 2.416 nan 8.150 nan 0.000 0.341 1222 G N -2.716 106.042 108.800 -0.070 0.000 2.698 1222 G HA2 0.280 4.243 3.960 0.005 0.000 0.233 1222 G HA3 0.280 4.243 3.960 0.005 0.000 0.233 1222 G C -0.536 174.271 174.900 -0.155 0.000 1.352 1222 G CA 0.451 45.478 45.100 -0.122 0.000 0.879 1222 G HN 2.041 nan 8.290 nan 0.000 0.567 1223 L N -0.045 121.067 121.223 -0.185 0.000 2.354 1223 L HA 0.804 5.147 4.340 0.005 0.000 0.264 1223 L C 0.536 177.284 176.870 -0.203 0.000 1.008 1223 L CA -0.824 53.916 54.840 -0.166 0.000 0.819 1223 L CB 1.956 43.935 42.059 -0.132 0.000 1.339 1223 L HN 0.723 nan 8.230 nan 0.000 0.420 1224 I N 0.900 121.379 120.570 -0.151 0.000 2.509 1224 I HA 0.432 4.604 4.170 0.005 0.000 0.293 1224 I C -0.752 175.314 176.117 -0.084 0.000 1.020 1224 I CA -0.732 60.494 61.300 -0.124 0.000 1.088 1224 I CB 1.717 39.666 38.000 -0.086 0.000 1.267 1224 I HN 0.340 nan 8.210 nan 0.000 0.430 1225 L N 5.841 127.018 121.223 -0.078 0.000 2.449 1225 L HA 0.619 4.962 4.340 0.005 0.000 0.255 1225 L C 0.564 177.411 176.870 -0.038 0.000 1.167 1225 L CA -0.057 54.747 54.840 -0.061 0.000 1.090 1225 L CB 0.070 42.086 42.059 -0.071 0.000 1.385 1225 L HN 1.028 nan 8.230 nan 0.000 0.411 1226 G N 1.045 109.828 108.800 -0.029 0.000 2.697 1226 G HA2 -0.162 3.801 3.960 0.005 0.000 0.686 1226 G HA3 -0.162 3.801 3.960 0.005 0.000 0.686 1226 G C 0.016 174.910 174.900 -0.011 0.000 1.179 1226 G CA -0.819 44.272 45.100 -0.016 0.000 0.765 1226 G HN 0.483 nan 8.290 nan 0.000 0.649 1227 K N 0.530 120.930 120.400 0.001 0.000 2.487 1227 K HA 0.042 4.365 4.320 0.005 0.000 0.192 1227 K C 2.488 179.090 176.600 0.003 0.000 1.027 1227 K CA 0.925 57.218 56.287 0.010 0.000 1.054 1227 K CB 0.082 32.600 32.500 0.031 0.000 0.824 1227 K HN 0.619 nan 8.250 nan 0.000 0.510 1228 S N 0.238 115.936 115.700 -0.003 0.000 2.402 1228 S HA -0.092 4.381 4.470 0.005 0.000 0.229 1228 S C 1.991 176.584 174.600 -0.012 0.000 1.021 1228 S CA 1.060 59.258 58.200 -0.003 0.000 0.974 1228 S CB -0.219 62.980 63.200 -0.002 0.000 0.800 1228 S HN 0.409 nan 8.310 nan 0.000 0.484 1229 G N 0.483 109.268 108.800 -0.026 0.000 2.833 1229 G HA2 0.357 4.320 3.960 0.005 0.000 0.210 1229 G HA3 0.357 4.320 3.960 0.005 0.000 0.210 1229 G C 1.220 176.066 174.900 -0.091 0.000 1.139 1229 G CA -0.055 45.020 45.100 -0.041 0.000 0.771 1229 G HN 0.509 nan 8.290 nan 0.000 0.535 1230 I N -0.054 120.456 120.570 -0.101 0.000 2.494 1230 I HA 0.044 4.217 4.170 0.005 0.000 0.250 1230 I C 2.676 178.690 176.117 -0.173 0.000 1.112 1230 I CA 0.403 61.580 61.300 -0.205 0.000 1.438 1230 I CB -0.128 37.803 38.000 -0.116 0.000 1.111 1230 I HN 0.073 nan 8.210 nan 0.000 0.431 1231 R N 1.610 122.100 120.500 -0.017 0.000 2.073 1231 R HA -0.221 4.122 4.340 0.005 0.000 0.234 1231 R C 2.479 178.795 176.300 0.027 0.000 1.134 1231 R CA 1.740 57.877 56.100 0.060 0.000 0.952 1231 R CB -0.231 30.100 30.300 0.052 0.000 0.850 1231 R HN 0.145 nan 8.270 nan 0.000 0.433 1232 R N 0.094 120.587 120.500 -0.013 0.000 2.103 1232 R HA -0.175 4.168 4.340 0.005 0.000 0.242 1232 R C 2.099 178.383 176.300 -0.027 0.000 1.142 1232 R CA 1.905 57.998 56.100 -0.012 0.000 0.960 1232 R CB -0.377 29.912 30.300 -0.017 0.000 0.858 1232 R HN 0.366 nan 8.270 nan 0.000 0.439 1233 A N -0.198 122.561 122.820 -0.102 0.000 1.841 1233 A HA -0.161 4.162 4.320 0.005 0.000 0.214 1233 A C 1.977 179.525 177.584 -0.060 0.000 1.195 1233 A CA 1.309 53.262 52.037 -0.140 0.000 0.611 1233 A CB -0.956 17.863 19.000 -0.302 0.000 0.835 1233 A HN 0.453 nan 8.150 nan 0.000 0.443 1234 Y N 0.507 120.800 120.300 -0.011 0.000 2.165 1234 Y HA -0.193 4.360 4.550 0.005 0.000 0.286 1234 Y C 2.462 178.355 175.900 -0.011 0.000 1.155 1234 Y CA 1.298 59.389 58.100 -0.014 0.000 1.164 1234 Y CB -0.794 37.658 38.460 -0.013 0.000 0.978 1234 Y HN 0.482 nan 8.280 nan 0.000 0.513 1235 E N -0.694 119.600 120.200 0.156 0.000 2.001 1235 E HA -0.153 4.199 4.350 0.005 0.000 0.195 1235 E C 2.010 178.647 176.600 0.061 0.000 1.002 1235 E CA 2.104 58.556 56.400 0.086 0.000 0.819 1235 E CB -0.188 29.548 29.700 0.060 0.000 0.769 1235 E HN 0.449 nan 8.360 nan 0.000 0.454 1236 T N -1.648 112.933 114.554 0.045 0.000 2.634 1236 T HA 0.105 4.457 4.350 0.005 0.000 0.243 1236 T C 1.536 176.260 174.700 0.039 0.000 1.121 1236 T CA 0.893 63.014 62.100 0.035 0.000 1.315 1236 T CB -0.336 68.546 68.868 0.024 0.000 0.944 1236 T HN 0.417 nan 8.240 nan 0.000 0.402 1237 G N -0.010 108.807 108.800 0.029 0.000 4.106 1237 G HA2 0.066 4.028 3.960 0.005 0.000 0.220 1237 G HA3 0.066 4.028 3.960 0.005 0.000 0.220 1237 G C -0.012 174.898 174.900 0.017 0.000 0.853 1237 G CA -0.697 44.421 45.100 0.029 0.000 0.920 1237 G HN 0.365 nan 8.290 nan 0.000 0.715 1238 R N 0.090 120.597 120.500 0.011 0.000 2.561 1238 R HA 0.689 5.032 4.340 0.005 0.000 0.297 1238 R C -0.494 175.804 176.300 -0.003 0.000 0.969 1238 R CA -0.058 56.051 56.100 0.015 0.000 0.879 1238 R CB 2.208 32.523 30.300 0.025 0.000 1.178 1238 R HN 0.574 nan 8.270 nan 0.000 0.445 1239 G N 0.273 109.071 108.800 -0.003 0.000 2.503 1239 G HA2 0.076 4.039 3.960 0.005 0.000 0.305 1239 G HA3 0.076 4.039 3.960 0.005 0.000 0.305 1239 G C -1.442 173.461 174.900 0.004 0.000 1.575 1239 G CA -0.489 44.602 45.100 -0.017 0.000 0.890 1239 G HN 0.341 nan 8.290 nan 0.000 0.612 1240 S N 1.001 116.711 115.700 0.017 0.000 2.465 1240 S HA 0.562 5.035 4.470 0.005 0.000 0.279 1240 S C 0.424 175.039 174.600 0.025 0.000 1.201 1240 S CA -0.655 57.571 58.200 0.044 0.000 1.053 1240 S CB 0.022 63.248 63.200 0.043 0.000 0.953 1240 S HN 0.396 nan 8.310 nan 0.000 0.488 1241 I N 5.336 125.939 120.570 0.054 0.000 2.339 1241 I HA 0.298 4.471 4.170 0.005 0.000 0.290 1241 I C 0.304 176.460 176.117 0.064 0.000 0.994 1241 I CA -0.621 60.699 61.300 0.033 0.000 1.191 1241 I CB 1.444 39.455 38.000 0.020 0.000 1.343 1241 I HN 0.561 nan 8.210 nan 0.000 0.458 1242 Q N 6.686 126.496 119.800 0.017 0.000 2.288 1242 Q HA 0.486 4.829 4.340 0.005 0.000 0.254 1242 Q C -0.544 175.434 176.000 -0.037 0.000 0.932 1242 Q CA -0.043 55.759 55.803 -0.001 0.000 0.902 1242 Q CB 2.239 30.964 28.738 -0.021 0.000 1.203 1242 Q HN 0.511 nan 8.270 nan 0.000 0.415 1243 M N 2.620 122.192 119.600 -0.047 0.000 2.190 1243 M HA 0.461 4.944 4.480 0.005 0.000 0.312 1243 M C -0.385 175.834 176.300 -0.135 0.000 0.990 1243 M CA -0.618 54.616 55.300 -0.110 0.000 0.927 1243 M CB 2.317 34.871 32.600 -0.077 0.000 1.571 1243 M HN 0.371 nan 8.290 nan 0.000 0.427 1244 R N 1.688 122.075 120.500 -0.190 0.000 2.562 1244 R HA 0.609 4.952 4.340 0.005 0.000 0.298 1244 R C -0.768 175.414 176.300 -0.198 0.000 0.961 1244 R CA -0.319 55.632 56.100 -0.248 0.000 0.881 1244 R CB 1.551 31.619 30.300 -0.387 0.000 1.159 1244 R HN 0.777 nan 8.270 nan 0.000 0.450 1245 S N 2.775 118.387 115.700 -0.147 0.000 2.584 1245 S HA 0.167 4.640 4.470 0.005 0.000 0.270 1245 S C -0.044 174.516 174.600 -0.065 0.000 1.346 1245 S CA -0.672 57.484 58.200 -0.074 0.000 1.018 1245 S CB 0.687 63.886 63.200 -0.002 0.000 0.899 1245 S HN 0.651 nan 8.310 nan 0.000 0.542 1246 R N 0.563 121.041 120.500 -0.036 0.000 2.308 1246 R HA 0.526 4.869 4.340 0.005 0.000 0.305 1246 R C -0.930 175.381 176.300 0.019 0.000 1.053 1246 R CA -0.253 55.837 56.100 -0.018 0.000 0.957 1246 R CB 0.183 30.473 30.300 -0.017 0.000 1.022 1246 R HN 0.761 nan 8.270 nan 0.000 0.461 1247 A N 4.661 127.504 122.820 0.039 0.000 2.429 1247 A HA 0.420 4.743 4.320 0.005 0.000 0.289 1247 A C -1.202 176.414 177.584 0.053 0.000 1.043 1247 A CA -0.746 51.329 52.037 0.064 0.000 0.722 1247 A CB 1.591 20.669 19.000 0.129 0.000 1.243 1247 A HN 0.481 nan 8.150 nan 0.000 0.415 1248 V N 2.677 122.611 119.914 0.034 0.000 2.481 1248 V HA 0.413 4.536 4.120 0.005 0.000 0.286 1248 V C 0.110 176.217 176.094 0.022 0.000 1.042 1248 V CA -0.355 61.961 62.300 0.026 0.000 0.928 1248 V CB 1.354 33.187 31.823 0.017 0.000 0.986 1248 V HN 0.687 nan 8.190 nan 0.000 0.462 1249 I N 4.296 124.877 120.570 0.019 0.000 2.276 1249 I HA 0.332 4.505 4.170 0.005 0.000 0.290 1249 I C 0.590 176.711 176.117 0.007 0.000 1.109 1249 I CA -0.110 61.196 61.300 0.010 0.000 1.229 1249 I CB 0.010 38.016 38.000 0.009 0.000 1.452 1249 I HN 0.853 nan 8.210 nan 0.000 0.497 1250 E N 5.078 125.281 120.200 0.005 0.000 2.227 1250 E HA 0.575 4.928 4.350 0.005 0.000 0.268 1250 E C -0.945 175.655 176.600 0.001 0.000 0.990 1250 E CA -0.847 55.555 56.400 0.004 0.000 0.856 1250 E CB 1.466 31.169 29.700 0.005 0.000 1.159 1250 E HN 0.470 nan 8.360 nan 0.000 0.401 1251 E N 0.519 120.720 120.200 0.001 0.000 2.249 1251 E HA 0.387 4.740 4.350 0.005 0.000 0.263 1251 E C -0.329 176.271 176.600 -0.000 0.000 0.950 1251 E CA -0.945 55.454 56.400 -0.000 0.000 0.827 1251 E CB 1.794 31.494 29.700 -0.000 0.000 1.220 1251 E HN 0.443 nan 8.360 nan 0.000 0.411 1252 R N 0.980 121.479 120.500 -0.001 0.000 2.637 1252 R HA 0.258 4.601 4.340 0.005 0.000 0.446 1252 R C -0.375 175.925 176.300 -0.001 0.000 1.024 1252 R CA 0.384 56.484 56.100 -0.001 0.000 1.080 1252 R CB 0.213 30.512 30.300 -0.001 0.000 1.421 1252 R HN 0.791 nan 8.270 nan 0.000 0.593 1253 G N -0.683 108.117 108.800 -0.001 0.000 2.856 1253 G HA2 -0.092 3.871 3.960 0.005 0.000 0.674 1253 G HA3 -0.092 3.871 3.960 0.005 0.000 0.674 1253 G C 0.572 175.471 174.900 -0.001 0.000 1.519 1253 G CA -0.277 44.822 45.100 -0.001 0.000 0.940 1253 G HN 0.800 nan 8.290 nan 0.000 0.564 1254 G N -1.200 107.599 108.800 -0.001 0.000 2.155 1254 G HA2 0.334 4.296 3.960 0.005 0.000 0.257 1254 G HA3 0.334 4.296 3.960 0.005 0.000 0.257 1254 G C 1.725 176.624 174.900 -0.002 0.000 0.983 1254 G CA 1.058 46.157 45.100 -0.002 0.000 0.676 1254 G HN 3.180 nan 8.290 nan 0.000 0.528 1255 G N -1.342 107.456 108.800 -0.002 0.000 2.284 1255 G HA2 0.036 3.999 3.960 0.005 0.000 0.201 1255 G HA3 0.036 3.999 3.960 0.005 0.000 0.201 1255 G C 0.384 175.282 174.900 -0.004 0.000 0.998 1255 G CA 0.616 45.714 45.100 -0.003 0.000 0.651 1255 G HN 1.601 nan 8.290 nan 0.000 0.489 1256 R N 0.966 121.464 120.500 -0.004 0.000 2.787 1256 R HA 0.785 5.127 4.340 0.005 0.000 0.271 1256 R C -0.606 175.691 176.300 -0.005 0.000 0.993 1256 R CA -0.678 55.418 56.100 -0.005 0.000 0.993 1256 R CB 0.935 31.232 30.300 -0.006 0.000 1.155 1256 R HN 0.378 nan 8.270 nan 0.000 0.486 1257 Q N 0.825 120.621 119.800 -0.007 0.000 2.297 1257 Q HA 0.576 4.919 4.340 0.005 0.000 0.269 1257 Q C -0.515 175.480 176.000 -0.008 0.000 1.051 1257 Q CA -1.024 54.775 55.803 -0.007 0.000 0.869 1257 Q CB 2.689 31.422 28.738 -0.008 0.000 1.346 1257 Q HN 0.719 nan 8.270 nan 0.000 0.457 1258 R N -0.241 120.255 120.500 -0.007 0.000 2.710 1258 R HA 0.610 4.953 4.340 0.005 0.000 0.270 1258 R C -1.374 174.922 176.300 -0.007 0.000 1.021 1258 R CA -0.749 55.346 56.100 -0.009 0.000 0.889 1258 R CB 0.932 31.228 30.300 -0.007 0.000 1.243 1258 R HN 0.519 nan 8.270 nan 0.000 0.464 1259 I N 1.257 121.821 120.570 -0.010 0.000 2.566 1259 I HA 0.514 4.687 4.170 0.005 0.000 0.303 1259 I C -0.487 175.631 176.117 0.001 0.000 0.983 1259 I CA -1.491 59.806 61.300 -0.006 0.000 1.235 1259 I CB 2.001 39.992 38.000 -0.015 0.000 1.386 1259 I HN 0.254 nan 8.210 nan 0.000 0.494 1260 V N 5.400 125.319 119.914 0.009 0.000 2.532 1260 V HA 0.260 4.383 4.120 0.005 0.000 0.294 1260 V C -0.406 175.699 176.094 0.019 0.000 1.036 1260 V CA -0.507 61.800 62.300 0.011 0.000 0.876 1260 V CB 2.180 34.009 31.823 0.009 0.000 1.012 1260 V HN 0.433 nan 8.190 nan 0.000 0.432 1261 V N 4.594 124.519 119.914 0.018 0.000 2.394 1261 V HA 0.498 4.621 4.120 0.005 0.000 0.282 1261 V C 0.908 177.011 176.094 0.014 0.000 1.031 1261 V CA 0.068 62.382 62.300 0.024 0.000 0.881 1261 V CB 1.349 33.190 31.823 0.029 0.000 0.982 1261 V HN 0.968 nan 8.190 nan 0.000 0.451 1262 T N 0.352 114.914 114.554 0.014 0.000 3.058 1262 T HA 0.390 4.743 4.350 0.005 0.000 0.278 1262 T C 0.144 174.851 174.700 0.010 0.000 0.974 1262 T CA -0.209 61.898 62.100 0.011 0.000 0.893 1262 T CB 0.267 69.142 68.868 0.012 0.000 1.138 1262 T HN 0.645 nan 8.240 nan 0.000 0.529 1263 E N 1.128 121.332 120.200 0.006 0.000 2.366 1263 E HA 0.675 5.028 4.350 0.005 0.000 0.278 1263 E C -1.198 175.398 176.600 -0.007 0.000 0.923 1263 E CA -1.065 55.336 56.400 0.002 0.000 0.761 1263 E CB 2.819 32.516 29.700 -0.006 0.000 1.231 1263 E HN 0.434 nan 8.360 nan 0.000 0.443 1264 I N -2.438 118.128 120.570 -0.006 0.000 3.239 1264 I HA 0.670 4.843 4.170 0.005 0.000 0.314 1264 I C -2.760 173.346 176.117 -0.018 0.000 1.126 1264 I CA -3.057 58.234 61.300 -0.015 0.000 0.973 1264 I CB 1.641 39.632 38.000 -0.014 0.000 1.252 1264 I HN 0.177 nan 8.210 nan 0.000 0.463 1265 P HA 0.141 nan 4.420 nan 0.000 0.276 1265 P C -0.607 176.752 177.300 0.098 0.000 1.230 1265 P CA 0.023 63.117 63.100 -0.010 0.000 0.776 1265 P CB 0.191 31.885 31.700 -0.009 0.000 0.888 1266 F N 3.483 123.454 119.950 0.034 0.000 2.594 1266 F HA -0.166 4.363 4.527 0.004 0.000 0.384 1266 F C 1.355 177.213 175.800 0.097 0.000 1.060 1266 F CA 1.138 59.253 58.000 0.193 0.000 1.278 1266 F CB -0.228 39.106 39.000 0.558 0.000 0.977 1266 F HN 0.535 nan 8.300 nan 0.000 0.576 1267 Q N 1.377 120.868 119.800 -0.516 0.000 2.502 1267 Q HA -0.160 4.183 4.340 0.005 0.000 0.273 1267 Q C -1.216 174.647 176.000 -0.228 0.000 1.127 1267 Q CA 0.606 56.107 55.803 -0.503 0.000 0.952 1267 Q CB -1.658 26.690 28.738 -0.649 0.000 1.333 1267 Q HN 0.396 nan 8.270 nan 0.000 0.494 1268 V N 1.439 121.263 119.914 -0.149 0.000 2.409 1268 V HA 0.253 4.376 4.120 0.005 0.000 0.291 1268 V C 0.430 176.456 176.094 -0.113 0.000 1.020 1268 V CA -0.825 61.413 62.300 -0.103 0.000 0.848 1268 V CB 1.746 33.533 31.823 -0.059 0.000 0.990 1268 V HN 0.214 nan 8.190 nan 0.000 0.430 1269 N N 4.257 122.897 118.700 -0.100 0.000 2.400 1269 N HA 0.022 4.765 4.740 0.005 0.000 0.267 1269 N C 1.113 176.575 175.510 -0.081 0.000 1.208 1269 N CA 0.276 53.267 53.050 -0.098 0.000 0.951 1269 N CB 0.610 39.051 38.487 -0.076 0.000 1.227 1269 N HN 0.795 nan 8.380 nan 0.000 0.488 1270 K N 3.692 124.035 120.400 -0.094 0.000 2.032 1270 K HA -0.241 4.082 4.320 0.005 0.000 0.218 1270 K C 1.449 178.017 176.600 -0.053 0.000 1.054 1270 K CA 2.043 58.288 56.287 -0.071 0.000 0.941 1270 K CB -0.154 32.297 32.500 -0.082 0.000 0.720 1270 K HN 0.555 nan 8.250 nan 0.000 0.449 1271 A N 0.671 123.458 122.820 -0.056 0.000 2.066 1271 A HA -0.101 4.222 4.320 0.005 0.000 0.218 1271 A C 2.063 179.626 177.584 -0.034 0.000 1.157 1271 A CA 1.343 53.355 52.037 -0.041 0.000 0.670 1271 A CB -0.422 18.554 19.000 -0.039 0.000 0.804 1271 A HN 0.450 nan 8.150 nan 0.000 0.453 1272 R N -1.076 119.401 120.500 -0.038 0.000 2.119 1272 R HA 0.083 4.426 4.340 0.005 0.000 0.222 1272 R C 2.107 178.391 176.300 -0.027 0.000 1.088 1272 R CA 1.158 57.239 56.100 -0.032 0.000 0.984 1272 R CB -0.254 30.024 30.300 -0.036 0.000 0.884 1272 R HN 0.564 nan 8.270 nan 0.000 0.447 1273 M N 0.365 119.947 119.600 -0.029 0.000 2.098 1273 M HA -0.115 4.368 4.480 0.005 0.000 0.262 1273 M C 1.895 178.185 176.300 -0.018 0.000 1.072 1273 M CA 1.704 56.991 55.300 -0.021 0.000 1.133 1273 M CB -0.096 32.491 32.600 -0.021 0.000 1.344 1273 M HN 0.182 nan 8.290 nan 0.000 0.414 1274 I N 0.681 121.239 120.570 -0.020 0.000 2.236 1274 I HA -0.318 3.855 4.170 0.005 0.000 0.249 1274 I C 2.305 178.412 176.117 -0.017 0.000 1.102 1274 I CA 1.515 62.804 61.300 -0.018 0.000 1.365 1274 I CB -0.474 37.514 38.000 -0.019 0.000 1.051 1274 I HN 0.394 nan 8.210 nan 0.000 0.420 1275 E N 1.423 121.612 120.200 -0.017 0.000 2.072 1275 E HA -0.175 4.178 4.350 0.005 0.000 0.191 1275 E C 1.940 178.532 176.600 -0.014 0.000 0.985 1275 E CA 1.432 57.823 56.400 -0.015 0.000 0.801 1275 E CB -0.044 29.646 29.700 -0.016 0.000 0.750 1275 E HN 0.330 nan 8.360 nan 0.000 0.452 1276 K N -0.121 120.271 120.400 -0.014 0.000 2.439 1276 K HA 0.015 4.338 4.320 0.005 0.000 0.197 1276 K C 1.917 178.510 176.600 -0.012 0.000 1.041 1276 K CA 0.552 56.831 56.287 -0.012 0.000 0.970 1276 K CB 0.171 32.664 32.500 -0.011 0.000 0.773 1276 K HN 0.271 nan 8.250 nan 0.000 0.479 1277 I N 0.606 121.168 120.570 -0.014 0.000 2.385 1277 I HA -0.127 4.046 4.170 0.005 0.000 0.244 1277 I C 2.393 178.500 176.117 -0.017 0.000 1.089 1277 I CA 0.520 61.810 61.300 -0.017 0.000 1.410 1277 I CB -0.248 37.741 38.000 -0.018 0.000 1.117 1277 I HN 0.055 nan 8.210 nan 0.000 0.429 1278 A N 0.356 123.167 122.820 -0.016 0.000 1.978 1278 A HA -0.234 4.089 4.320 0.005 0.000 0.220 1278 A C 2.151 179.727 177.584 -0.013 0.000 1.170 1278 A CA 1.579 53.607 52.037 -0.014 0.000 0.636 1278 A CB -0.571 18.421 19.000 -0.013 0.000 0.810 1278 A HN 0.420 nan 8.150 nan 0.000 0.448 1279 E N -0.178 120.014 120.200 -0.012 0.000 2.058 1279 E HA -0.170 4.183 4.350 0.005 0.000 0.194 1279 E C 1.682 178.275 176.600 -0.011 0.000 0.997 1279 E CA 1.361 57.755 56.400 -0.011 0.000 0.801 1279 E CB -0.281 29.413 29.700 -0.010 0.000 0.746 1279 E HN 0.688 nan 8.360 nan 0.000 0.450 1280 L N 0.525 121.740 121.223 -0.013 0.000 2.551 1280 L HA -0.081 4.262 4.340 0.005 0.000 0.228 1280 L C 1.987 178.848 176.870 -0.014 0.000 1.153 1280 L CA 0.077 54.909 54.840 -0.013 0.000 0.851 1280 L CB -0.091 41.959 42.059 -0.015 0.000 0.959 1280 L HN 0.030 nan 8.230 nan 0.000 0.451 1281 V N -0.774 119.132 119.914 -0.015 0.000 2.672 1281 V HA -0.045 4.078 4.120 0.005 0.000 0.242 1281 V C 2.471 178.557 176.094 -0.012 0.000 1.059 1281 V CA 0.813 63.104 62.300 -0.015 0.000 1.081 1281 V CB -0.272 31.541 31.823 -0.016 0.000 0.752 1281 V HN 0.305 nan 8.190 nan 0.000 0.472 1282 R N 0.654 121.147 120.500 -0.011 0.000 2.105 1282 R HA -0.174 4.169 4.340 0.005 0.000 0.239 1282 R C 1.340 177.635 176.300 -0.009 0.000 1.135 1282 R CA 1.884 57.978 56.100 -0.009 0.000 0.967 1282 R CB -0.241 30.053 30.300 -0.009 0.000 0.861 1282 R HN 0.483 nan 8.270 nan 0.000 0.442 1283 D N -0.186 120.209 120.400 -0.009 0.000 2.319 1283 D HA 0.038 4.681 4.640 0.005 0.000 0.230 1283 D C -0.090 176.205 176.300 -0.008 0.000 1.094 1283 D CA 0.200 54.195 54.000 -0.008 0.000 0.856 1283 D CB 0.236 41.032 40.800 -0.007 0.000 0.915 1283 D HN 0.040 nan 8.370 nan 0.000 0.517 1284 K N -0.478 119.916 120.400 -0.010 0.000 3.104 1284 K HA -0.274 4.049 4.320 0.005 0.000 0.285 1284 K C 0.891 177.484 176.600 -0.011 0.000 1.136 1284 K CA 0.585 56.866 56.287 -0.010 0.000 0.842 1284 K CB -0.870 31.624 32.500 -0.009 0.000 1.217 1284 K HN 0.146 nan 8.250 nan 0.000 0.467 1285 K N 0.273 120.666 120.400 -0.011 0.000 2.555 1285 K HA 0.137 4.460 4.320 0.005 0.000 0.193 1285 K C 0.423 177.014 176.600 -0.015 0.000 1.032 1285 K CA 0.623 56.903 56.287 -0.012 0.000 1.004 1285 K CB 0.081 32.575 32.500 -0.010 0.000 0.804 1285 K HN 0.372 nan 8.250 nan 0.000 0.496 1286 I N 0.992 121.552 120.570 -0.018 0.000 2.785 1286 I HA 0.056 4.229 4.170 0.005 0.000 0.293 1286 I C -2.040 174.063 176.117 -0.023 0.000 1.446 1286 I CA -0.815 60.471 61.300 -0.023 0.000 1.028 1286 I CB 2.051 40.033 38.000 -0.030 0.000 1.349 1286 I HN -0.043 nan 8.210 nan 0.000 0.438 1287 D N 4.388 124.773 120.400 -0.025 0.000 2.419 1287 D HA 0.638 5.281 4.640 0.005 0.000 0.234 1287 D C 0.385 176.670 176.300 -0.025 0.000 1.014 1287 D CA -0.004 53.983 54.000 -0.022 0.000 0.919 1287 D CB 2.011 42.800 40.800 -0.018 0.000 1.366 1287 D HN 0.909 nan 8.370 nan 0.000 0.490 1288 G N 0.172 108.959 108.800 -0.021 0.000 2.130 1288 G HA2 -0.147 3.816 3.960 0.005 0.000 0.216 1288 G HA3 -0.147 3.816 3.960 0.005 0.000 0.216 1288 G C -0.257 174.629 174.900 -0.023 0.000 0.999 1288 G CA -0.084 45.003 45.100 -0.022 0.000 0.686 1288 G HN 0.537 nan 8.290 nan 0.000 0.515 1289 I N 1.620 122.177 120.570 -0.022 0.000 2.382 1289 I HA 0.293 4.465 4.170 0.005 0.000 0.286 1289 I C 1.682 177.789 176.117 -0.017 0.000 1.002 1289 I CA -0.113 61.174 61.300 -0.022 0.000 1.135 1289 I CB 1.728 39.713 38.000 -0.025 0.000 1.288 1289 I HN 0.213 nan 8.210 nan 0.000 0.448 1290 T N 0.659 115.203 114.554 -0.015 0.000 2.976 1290 T HA 0.074 4.427 4.350 0.005 0.000 0.257 1290 T C 0.347 175.040 174.700 -0.012 0.000 1.051 1290 T CA 0.510 62.602 62.100 -0.012 0.000 1.141 1290 T CB 0.188 69.050 68.868 -0.011 0.000 0.881 1290 T HN 0.519 nan 8.240 nan 0.000 0.461 1291 D N -0.816 119.577 120.400 -0.013 0.000 2.654 1291 D HA 0.561 5.204 4.640 0.005 0.000 0.231 1291 D C -2.114 174.179 176.300 -0.013 0.000 1.239 1291 D CA -0.788 53.205 54.000 -0.012 0.000 0.790 1291 D CB 2.046 42.840 40.800 -0.010 0.000 1.480 1291 D HN 0.098 nan 8.370 nan 0.000 0.442 1292 L N 1.968 123.183 121.223 -0.012 0.000 2.362 1292 L HA 0.751 5.094 4.340 0.005 0.000 0.271 1292 L C -1.003 175.860 176.870 -0.011 0.000 1.002 1292 L CA -0.325 54.507 54.840 -0.013 0.000 0.818 1292 L CB 1.580 43.630 42.059 -0.014 0.000 1.298 1292 L HN 0.555 nan 8.230 nan 0.000 0.420 1293 R N 1.723 122.216 120.500 -0.011 0.000 2.604 1293 R HA 0.375 4.718 4.340 0.005 0.000 0.270 1293 R C -1.957 174.338 176.300 -0.009 0.000 1.052 1293 R CA -0.680 55.415 56.100 -0.009 0.000 0.902 1293 R CB 1.533 31.828 30.300 -0.008 0.000 1.233 1293 R HN 0.650 nan 8.270 nan 0.000 0.455 1294 D N 1.849 122.243 120.400 -0.010 0.000 2.349 1294 D HA 0.158 4.801 4.640 0.005 0.000 0.232 1294 D C -0.384 175.912 176.300 -0.007 0.000 1.071 1294 D CA -0.178 53.816 54.000 -0.010 0.000 0.832 1294 D CB 1.455 42.247 40.800 -0.013 0.000 1.086 1294 D HN 0.540 nan 8.370 nan 0.000 0.504 1295 E N 1.891 122.088 120.200 -0.005 0.000 2.558 1295 E HA 0.120 4.473 4.350 0.005 0.000 0.205 1295 E C -0.150 176.450 176.600 0.000 0.000 1.006 1295 E CA -0.198 56.201 56.400 -0.002 0.000 0.961 1295 E CB 0.703 30.403 29.700 -0.000 0.000 1.044 1295 E HN 0.417 nan 8.360 nan 0.000 0.465 1296 T N 1.472 116.025 114.554 -0.002 0.000 2.926 1296 T HA 0.242 4.595 4.350 0.005 0.000 0.307 1296 T C 0.062 174.765 174.700 0.005 0.000 1.059 1296 T CA 0.025 62.126 62.100 0.001 0.000 1.122 1296 T CB 0.912 69.777 68.868 -0.005 0.000 0.972 1296 T HN 0.185 nan 8.240 nan 0.000 0.545 1297 S N 1.035 116.742 115.700 0.011 0.000 2.633 1297 S HA 0.272 4.745 4.470 0.005 0.000 0.271 1297 S C 0.526 175.139 174.600 0.022 0.000 1.112 1297 S CA -0.992 57.216 58.200 0.015 0.000 0.828 1297 S CB 0.495 63.702 63.200 0.011 0.000 1.086 1297 S HN 0.444 nan 8.310 nan 0.000 0.461 1298 L N 0.324 121.562 121.223 0.026 0.000 2.187 1298 L HA -0.069 4.274 4.340 0.005 0.000 0.213 1298 L C 2.438 179.326 176.870 0.031 0.000 1.100 1298 L CA 1.405 56.265 54.840 0.033 0.000 0.765 1298 L CB -0.329 41.751 42.059 0.034 0.000 0.904 1298 L HN 0.677 nan 8.230 nan 0.000 0.437 1299 R N -1.886 118.629 120.500 0.024 0.000 2.282 1299 R HA 0.072 4.415 4.340 0.005 0.000 0.195 1299 R C 0.995 177.307 176.300 0.021 0.000 0.909 1299 R CA 0.697 56.810 56.100 0.023 0.000 1.039 1299 R CB 0.189 30.500 30.300 0.019 0.000 1.015 1299 R HN 0.176 nan 8.270 nan 0.000 0.513 1300 T N -0.561 114.005 114.554 0.020 0.000 3.215 1300 T HA 0.339 4.692 4.350 0.005 0.000 0.271 1300 T C 0.983 175.695 174.700 0.020 0.000 1.012 1300 T CA -0.074 62.036 62.100 0.017 0.000 0.899 1300 T CB 0.739 69.615 68.868 0.013 0.000 1.089 1300 T HN 0.400 nan 8.240 nan 0.000 0.552 1301 G N 2.633 111.449 108.800 0.026 0.000 2.602 1301 G HA2 -0.289 3.674 3.960 0.005 0.000 0.317 1301 G HA3 -0.289 3.674 3.960 0.005 0.000 0.317 1301 G C 0.092 175.006 174.900 0.023 0.000 1.327 1301 G CA 0.129 45.247 45.100 0.030 0.000 0.971 1301 G HN 1.029 nan 8.290 nan 0.000 0.540 1302 V N -0.755 119.173 119.914 0.022 0.000 2.488 1302 V HA 0.715 4.838 4.120 0.005 0.000 0.277 1302 V C 0.584 176.684 176.094 0.009 0.000 1.046 1302 V CA 0.460 62.767 62.300 0.012 0.000 0.986 1302 V CB 1.246 33.075 31.823 0.010 0.000 0.989 1302 V HN 0.950 nan 8.190 nan 0.000 0.475 1303 R N 3.373 123.876 120.500 0.004 0.000 2.659 1303 R HA 0.559 4.902 4.340 0.005 0.000 0.290 1303 R C -2.229 174.071 176.300 0.000 0.000 1.253 1303 R CA -0.326 55.776 56.100 0.004 0.000 1.010 1303 R CB 2.043 32.347 30.300 0.006 0.000 1.236 1303 R HN 0.650 nan 8.270 nan 0.000 0.413 1304 V N 4.648 124.562 119.914 0.000 0.000 2.417 1304 V HA 0.462 4.585 4.120 0.005 0.000 0.291 1304 V C -0.205 175.888 176.094 -0.001 0.000 1.024 1304 V CA -0.731 61.567 62.300 -0.002 0.000 0.861 1304 V CB 1.880 33.701 31.823 -0.003 0.000 0.985 1304 V HN 0.418 nan 8.190 nan 0.000 0.436 1305 V N 6.113 126.025 119.914 -0.004 0.000 2.417 1305 V HA 0.492 4.615 4.120 0.005 0.000 0.291 1305 V C -0.330 175.759 176.094 -0.008 0.000 1.024 1305 V CA -0.494 61.803 62.300 -0.004 0.000 0.861 1305 V CB 1.823 33.644 31.823 -0.004 0.000 0.985 1305 V HN 0.623 nan 8.190 nan 0.000 0.436 1306 I N 3.726 124.289 120.570 -0.011 0.000 2.328 1306 I HA 0.410 4.583 4.170 0.005 0.000 0.287 1306 I C -0.198 175.910 176.117 -0.015 0.000 1.012 1306 I CA -0.638 60.653 61.300 -0.016 0.000 1.195 1306 I CB 1.170 39.156 38.000 -0.024 0.000 1.350 1306 I HN 0.451 nan 8.210 nan 0.000 0.464 1307 D N 5.732 126.124 120.400 -0.014 0.000 2.351 1307 D HA 0.311 4.954 4.640 0.005 0.000 0.251 1307 D C -0.096 176.194 176.300 -0.016 0.000 1.137 1307 D CA 0.116 54.108 54.000 -0.013 0.000 0.879 1307 D CB 2.502 43.296 40.800 -0.011 0.000 1.181 1307 D HN 0.139 nan 8.370 nan 0.000 0.448 1308 V N 2.954 122.858 119.914 -0.016 0.000 2.715 1308 V HA 0.296 4.419 4.120 0.005 0.000 0.310 1308 V C 0.824 176.909 176.094 -0.015 0.000 1.054 1308 V CA -0.894 61.395 62.300 -0.019 0.000 0.928 1308 V CB 2.395 34.205 31.823 -0.022 0.000 1.007 1308 V HN 0.440 nan 8.190 nan 0.000 0.437 1309 R N 1.503 121.993 120.500 -0.016 0.000 2.944 1309 R HA 0.077 4.420 4.340 0.005 0.000 0.279 1309 R C 0.201 176.494 176.300 -0.012 0.000 1.048 1309 R CA -0.420 55.672 56.100 -0.013 0.000 1.196 1309 R CB 0.235 30.527 30.300 -0.013 0.000 1.134 1309 R HN 0.575 nan 8.270 nan 0.000 0.525 1310 K N 1.987 122.381 120.400 -0.010 0.000 2.250 1310 K HA -0.081 4.242 4.320 0.005 0.000 0.277 1310 K C -0.585 176.010 176.600 -0.008 0.000 1.091 1310 K CA 0.939 57.221 56.287 -0.008 0.000 1.046 1310 K CB -0.146 32.350 32.500 -0.007 0.000 0.982 1310 K HN 0.584 nan 8.250 nan 0.000 0.429 1311 D N 1.468 121.863 120.400 -0.009 0.000 2.884 1311 D HA -0.273 4.370 4.640 0.005 0.000 0.186 1311 D C -0.298 175.996 176.300 -0.010 0.000 1.520 1311 D CA 1.944 55.939 54.000 -0.008 0.000 1.997 1311 D CB -1.617 39.179 40.800 -0.007 0.000 1.362 1311 D HN 0.705 nan 8.370 nan 0.000 0.474 1312 A N 1.201 124.015 122.820 -0.011 0.000 2.581 1312 A HA 0.038 4.361 4.320 0.005 0.000 0.257 1312 A C 0.588 178.162 177.584 -0.016 0.000 1.022 1312 A CA 0.508 52.537 52.037 -0.013 0.000 0.812 1312 A CB -0.136 18.856 19.000 -0.014 0.000 0.918 1312 A HN 0.309 nan 8.150 nan 0.000 0.516 1313 N N 2.325 121.016 118.700 -0.015 0.000 2.414 1313 N HA 0.124 4.867 4.740 0.005 0.000 0.268 1313 N C 1.298 176.794 175.510 -0.024 0.000 1.286 1313 N CA 0.697 53.737 53.050 -0.016 0.000 0.896 1313 N CB 0.773 39.253 38.487 -0.013 0.000 1.093 1313 N HN 0.667 nan 8.380 nan 0.000 0.480 1314 A N 3.275 126.079 122.820 -0.025 0.000 1.933 1314 A HA -0.131 4.192 4.320 0.005 0.000 0.218 1314 A C 2.217 179.772 177.584 -0.047 0.000 1.175 1314 A CA 1.531 53.547 52.037 -0.036 0.000 0.628 1314 A CB -0.474 18.509 19.000 -0.030 0.000 0.814 1314 A HN 0.697 nan 8.150 nan 0.000 0.444 1315 S N -1.005 114.676 115.700 -0.032 0.000 2.420 1315 S HA -0.154 4.318 4.470 0.005 0.000 0.237 1315 S C 1.794 176.367 174.600 -0.046 0.000 1.023 1315 S CA 1.409 59.591 58.200 -0.029 0.000 0.991 1315 S CB -0.378 62.817 63.200 -0.007 0.000 0.792 1315 S HN 0.447 nan 8.310 nan 0.000 0.488 1316 V N 1.233 121.120 119.914 -0.045 0.000 2.725 1316 V HA 0.034 4.157 4.120 0.005 0.000 0.247 1316 V C 1.605 177.654 176.094 -0.076 0.000 1.058 1316 V CA 0.979 63.250 62.300 -0.048 0.000 1.080 1316 V CB -0.255 31.549 31.823 -0.031 0.000 0.713 1316 V HN 0.478 nan 8.190 nan 0.000 0.465 1317 I N -0.534 119.985 120.570 -0.084 0.000 2.202 1317 I HA -0.166 4.006 4.170 0.005 0.000 0.242 1317 I C 2.381 178.391 176.117 -0.178 0.000 1.091 1317 I CA 1.296 62.535 61.300 -0.103 0.000 1.368 1317 I CB -0.543 37.408 38.000 -0.082 0.000 1.058 1317 I HN 0.333 nan 8.210 nan 0.000 0.410 1318 L N 1.597 122.692 121.223 -0.213 0.000 1.990 1318 L HA -0.247 4.096 4.340 0.005 0.000 0.213 1318 L C 1.917 178.367 176.870 -0.701 0.000 1.072 1318 L CA 2.099 56.698 54.840 -0.401 0.000 0.755 1318 L CB -0.907 40.993 42.059 -0.266 0.000 0.889 1318 L HN 0.213 nan 8.230 nan 0.000 0.432 1319 N N -0.469 118.011 118.700 -0.368 0.000 2.550 1319 N HA -0.096 4.646 4.740 0.005 0.000 0.186 1319 N C 1.419 176.846 175.510 -0.137 0.000 1.110 1319 N CA 0.538 53.471 53.050 -0.196 0.000 0.912 1319 N CB -0.314 38.168 38.487 -0.009 0.000 0.968 1319 N HN 0.429 nan 8.380 nan 0.000 0.448 1320 N N -0.166 118.428 118.700 -0.176 0.000 2.402 1320 N HA 0.134 4.877 4.740 0.005 0.000 0.174 1320 N C 1.287 176.724 175.510 -0.121 0.000 1.027 1320 N CA 0.250 53.237 53.050 -0.106 0.000 0.891 1320 N CB 0.328 38.766 38.487 -0.081 0.000 1.016 1320 N HN 0.235 nan 8.380 nan 0.000 0.439 1321 L N 0.199 121.281 121.223 -0.234 0.000 2.217 1321 L HA -0.091 4.252 4.340 0.005 0.000 0.211 1321 L C 1.734 178.559 176.870 -0.075 0.000 1.107 1321 L CA 0.677 55.407 54.840 -0.182 0.000 0.783 1321 L CB -0.341 41.581 42.059 -0.228 0.000 0.919 1321 L HN 0.114 nan 8.230 nan 0.000 0.442 1322 Y N 0.151 120.445 120.300 -0.010 0.000 2.293 1322 Y HA -0.147 4.406 4.550 0.005 0.000 0.291 1322 Y C 2.513 178.409 175.900 -0.008 0.000 1.137 1322 Y CA 0.377 58.471 58.100 -0.010 0.000 1.202 1322 Y CB -0.556 37.898 38.460 -0.010 0.000 0.990 1322 Y HN 0.038 nan 8.280 nan 0.000 0.537 1323 K N 0.315 120.786 120.400 0.119 0.000 1.975 1323 K HA -0.132 4.191 4.320 0.005 0.000 0.210 1323 K C 2.086 178.711 176.600 0.040 0.000 1.041 1323 K CA 1.270 57.597 56.287 0.067 0.000 0.942 1323 K CB -0.667 31.856 32.500 0.038 0.000 0.729 1323 K HN 0.327 nan 8.250 nan 0.000 0.439 1324 Q N 0.406 120.217 119.800 0.017 0.000 2.050 1324 Q HA -0.099 4.244 4.340 0.005 0.000 0.202 1324 Q C 1.426 177.434 176.000 0.013 0.000 0.980 1324 Q CA 1.853 57.661 55.803 0.008 0.000 0.840 1324 Q CB -0.154 28.581 28.738 -0.006 0.000 0.898 1324 Q HN 0.497 nan 8.270 nan 0.000 0.424 1325 T N -2.308 112.255 114.554 0.016 0.000 2.902 1325 T HA 0.300 4.653 4.350 0.005 0.000 0.287 1325 T C -2.289 172.431 174.700 0.034 0.000 1.048 1325 T CA -1.693 60.417 62.100 0.017 0.000 0.941 1325 T CB 0.833 69.705 68.868 0.008 0.000 1.432 1325 T HN -0.158 nan 8.240 nan 0.000 0.586 1326 P HA 0.314 nan 4.420 nan 0.000 0.259 1326 P C 0.865 178.188 177.300 0.037 0.000 1.530 1326 P CA -0.367 62.747 63.100 0.024 0.000 1.022 1326 P CB -0.049 31.653 31.700 0.003 0.000 1.514 1327 L N -0.399 120.869 121.223 0.075 0.000 2.450 1327 L HA 0.036 4.379 4.340 0.005 0.000 0.224 1327 L C 0.705 177.630 176.870 0.092 0.000 1.149 1327 L CA 1.586 56.495 54.840 0.114 0.000 0.816 1327 L CB -0.967 41.222 42.059 0.216 0.000 0.932 1327 L HN 0.097 nan 8.230 nan 0.000 0.449 1328 Q N -0.867 118.979 119.800 0.076 0.000 2.269 1328 Q HA 0.454 4.797 4.340 0.005 0.000 0.263 1328 Q C -1.326 174.684 176.000 0.018 0.000 0.983 1328 Q CA -0.274 55.534 55.803 0.009 0.000 0.777 1328 Q CB 1.543 30.281 28.738 -0.001 0.000 1.273 1328 Q HN 0.135 nan 8.270 nan 0.000 0.440 1329 T N 0.675 115.233 114.554 0.006 0.000 2.812 1329 T HA 0.584 4.937 4.350 0.005 0.000 0.294 1329 T C -0.961 173.764 174.700 0.042 0.000 1.159 1329 T CA -0.855 61.258 62.100 0.021 0.000 1.008 1329 T CB 1.540 70.417 68.868 0.016 0.000 1.289 1329 T HN 0.536 nan 8.240 nan 0.000 0.514 1330 S N 0.349 116.084 115.700 0.058 0.000 2.498 1330 S HA 0.600 5.073 4.470 0.005 0.000 0.317 1330 S C -0.738 173.961 174.600 0.164 0.000 1.090 1330 S CA -0.848 57.413 58.200 0.102 0.000 1.089 1330 S CB 0.311 63.557 63.200 0.077 0.000 0.997 1330 S HN 0.671 nan 8.310 nan 0.000 0.470 1331 F N 3.817 123.816 119.950 0.083 0.000 2.487 1331 F HA 0.424 4.954 4.527 0.004 0.000 0.364 1331 F C 1.116 176.952 175.800 0.061 0.000 1.126 1331 F CA -0.344 57.723 58.000 0.112 0.000 1.135 1331 F CB -0.032 39.070 39.000 0.170 0.000 1.127 1331 F HN 0.891 nan 8.300 nan 0.000 0.559 1332 G N 6.985 115.970 108.800 0.307 0.000 2.621 1332 G HA2 0.368 4.331 3.960 0.005 0.000 0.306 1332 G HA3 0.368 4.331 3.960 0.005 0.000 0.306 1332 G C -0.352 174.759 174.900 0.350 0.000 0.893 1332 G CA -0.498 44.748 45.100 0.244 0.000 1.486 1332 G HN 0.539 nan 8.290 nan 0.000 0.477 1333 V N 2.318 122.433 119.914 0.335 0.000 2.924 1333 V HA 0.243 4.366 4.120 0.005 0.000 0.305 1333 V C 0.790 176.971 176.094 0.145 0.000 1.073 1333 V CA -0.333 62.112 62.300 0.242 0.000 1.098 1333 V CB 1.294 33.099 31.823 -0.030 0.000 1.000 1333 V HN 0.848 nan 8.190 nan 0.000 0.484 1334 N N 2.491 121.271 118.700 0.134 0.000 3.029 1334 N HA 0.191 4.934 4.740 0.005 0.000 0.198 1334 N C -0.614 174.944 175.510 0.081 0.000 1.444 1334 N CA -0.432 52.674 53.050 0.092 0.000 0.784 1334 N CB 0.277 38.820 38.487 0.093 0.000 1.539 1334 N HN 0.693 nan 8.380 nan 0.000 0.582 1335 M N 3.082 122.719 119.600 0.062 0.000 3.268 1335 M HA 0.196 4.679 4.480 0.005 0.000 0.249 1335 M C -0.407 175.918 176.300 0.041 0.000 1.527 1335 M CA 0.586 55.918 55.300 0.054 0.000 1.645 1335 M CB -0.543 32.086 32.600 0.047 0.000 1.193 1335 M HN 0.300 nan 8.290 nan 0.000 0.534 1336 I N 1.989 122.583 120.570 0.040 0.000 2.412 1336 I HA 0.416 4.589 4.170 0.005 0.000 0.279 1336 I C 0.464 176.588 176.117 0.010 0.000 1.063 1336 I CA -0.495 60.819 61.300 0.024 0.000 1.193 1336 I CB 0.658 38.675 38.000 0.029 0.000 1.370 1336 I HN 0.526 nan 8.210 nan 0.000 0.479 1337 A N 6.404 129.219 122.820 -0.009 0.000 2.517 1337 A HA 0.845 5.168 4.320 0.005 0.000 0.280 1337 A C -0.569 176.979 177.584 -0.059 0.000 1.353 1337 A CA -0.518 51.502 52.037 -0.029 0.000 0.907 1337 A CB 0.621 19.598 19.000 -0.038 0.000 1.495 1337 A HN 0.556 nan 8.150 nan 0.000 0.506 1338 L N 0.316 121.491 121.223 -0.081 0.000 2.280 1338 L HA 0.462 4.805 4.340 0.005 0.000 0.287 1338 L C -0.919 175.846 176.870 -0.176 0.000 1.023 1338 L CA -0.106 54.666 54.840 -0.113 0.000 0.819 1338 L CB 1.616 43.623 42.059 -0.086 0.000 1.212 1338 L HN 0.352 nan 8.230 nan 0.000 0.420 1339 V N 3.359 123.141 119.914 -0.220 0.000 2.384 1339 V HA 0.353 4.476 4.120 0.005 0.000 0.287 1339 V C 0.159 176.112 176.094 -0.235 0.000 1.020 1339 V CA -1.031 61.081 62.300 -0.313 0.000 0.850 1339 V CB 1.304 32.880 31.823 -0.412 0.000 0.987 1339 V HN 0.826 nan 8.190 nan 0.000 0.436 1340 N N 4.010 122.591 118.700 -0.198 0.000 2.707 1340 N HA -0.236 4.506 4.740 0.005 0.000 0.253 1340 N C 1.240 176.665 175.510 -0.142 0.000 0.998 1340 N CA 1.466 54.435 53.050 -0.136 0.000 0.751 1340 N CB -0.945 37.481 38.487 -0.101 0.000 0.920 1340 N HN 1.579 nan 8.380 nan 0.000 0.539 1341 G N -1.315 107.403 108.800 -0.136 0.000 2.176 1341 G HA2 -0.349 3.614 3.960 0.005 0.000 0.253 1341 G HA3 -0.349 3.614 3.960 0.005 0.000 0.253 1341 G C 0.087 174.842 174.900 -0.243 0.000 0.979 1341 G CA 0.593 45.628 45.100 -0.108 0.000 0.641 1341 G HN 0.597 nan 8.290 nan 0.000 0.530 1342 R N 0.508 120.798 120.500 -0.349 0.000 2.670 1342 R HA 0.505 4.848 4.340 0.005 0.000 0.289 1342 R C -2.749 173.385 176.300 -0.276 0.000 0.965 1342 R CA -2.080 53.687 56.100 -0.554 0.000 0.899 1342 R CB 2.321 32.245 30.300 -0.627 0.000 1.173 1342 R HN 0.011 nan 8.270 nan 0.000 0.456 1343 P HA 0.051 nan 4.420 nan 0.000 0.263 1343 P C -1.136 176.123 177.300 -0.068 0.000 1.601 1343 P CA 0.059 63.115 63.100 -0.073 0.000 1.161 1343 P CB 0.262 31.966 31.700 0.007 0.000 1.730 1344 K N 3.778 124.132 120.400 -0.077 0.000 2.235 1344 K HA 0.311 4.634 4.320 0.005 0.000 0.266 1344 K C -0.543 176.044 176.600 -0.021 0.000 0.980 1344 K CA -1.091 55.164 56.287 -0.052 0.000 0.849 1344 K CB 0.832 33.290 32.500 -0.069 0.000 1.098 1344 K HN 0.147 nan 8.250 nan 0.000 0.445 1345 L N 6.963 128.186 121.223 0.000 0.000 2.361 1345 L HA 0.322 4.664 4.340 0.005 0.000 0.278 1345 L C -0.914 175.970 176.870 0.023 0.000 1.113 1345 L CA -0.045 54.805 54.840 0.016 0.000 0.849 1345 L CB -0.112 41.961 42.059 0.023 0.000 1.155 1345 L HN 0.622 nan 8.230 nan 0.000 0.452 1346 I N 2.561 123.149 120.570 0.030 0.000 3.294 1346 I HA 0.761 4.934 4.170 0.005 0.000 0.311 1346 I C -0.308 175.838 176.117 0.048 0.000 1.111 1346 I CA -0.762 60.564 61.300 0.043 0.000 0.976 1346 I CB 1.365 39.401 38.000 0.061 0.000 1.260 1346 I HN 0.677 nan 8.210 nan 0.000 0.474 1347 N N 1.001 119.732 118.700 0.052 0.000 2.879 1347 N HA 0.304 5.047 4.740 0.005 0.000 0.329 1347 N C 0.568 176.110 175.510 0.055 0.000 1.337 1347 N CA -0.683 52.403 53.050 0.061 0.000 0.844 1347 N CB -0.129 38.391 38.487 0.054 0.000 1.236 1347 N HN 0.757 nan 8.380 nan 0.000 0.601 1348 L N 0.085 121.346 121.223 0.064 0.000 2.017 1348 L HA 0.028 4.371 4.340 0.005 0.000 0.208 1348 L C 2.143 178.978 176.870 -0.060 0.000 1.073 1348 L CA 1.978 56.803 54.840 -0.025 0.000 0.745 1348 L CB -1.312 40.656 42.059 -0.153 0.000 0.894 1348 L HN 0.859 nan 8.230 nan 0.000 0.432 1349 K N -0.175 120.200 120.400 -0.042 0.000 2.002 1349 K HA -0.195 4.128 4.320 0.005 0.000 0.209 1349 K C 1.810 178.393 176.600 -0.029 0.000 1.048 1349 K CA 1.831 58.091 56.287 -0.045 0.000 0.930 1349 K CB -0.215 32.261 32.500 -0.040 0.000 0.714 1349 K HN 0.617 nan 8.250 nan 0.000 0.438 1350 E N 0.148 120.344 120.200 -0.007 0.000 2.265 1350 E HA -0.178 4.175 4.350 0.005 0.000 0.196 1350 E C 1.828 178.489 176.600 0.102 0.000 0.996 1350 E CA 0.919 57.320 56.400 0.002 0.000 0.832 1350 E CB -0.188 29.547 29.700 0.059 0.000 0.756 1350 E HN 0.397 nan 8.360 nan 0.000 0.491 1351 A N 2.008 124.876 122.820 0.079 0.000 1.898 1351 A HA -0.073 4.250 4.320 0.005 0.000 0.216 1351 A C 2.294 179.937 177.584 0.098 0.000 1.181 1351 A CA 0.886 52.975 52.037 0.086 0.000 0.620 1351 A CB -0.447 18.554 19.000 0.003 0.000 0.819 1351 A HN 0.185 nan 8.150 nan 0.000 0.442 1352 L N -0.638 120.611 121.223 0.044 0.000 2.209 1352 L HA -0.058 4.285 4.340 0.005 0.000 0.207 1352 L C 2.380 179.305 176.870 0.091 0.000 1.094 1352 L CA 0.604 55.494 54.840 0.083 0.000 0.790 1352 L CB -0.579 41.487 42.059 0.013 0.000 0.932 1352 L HN 0.209 nan 8.230 nan 0.000 0.447 1353 V N -0.674 119.237 119.914 -0.005 0.000 2.427 1353 V HA -0.257 3.866 4.120 0.005 0.000 0.248 1353 V C 2.508 178.549 176.094 -0.087 0.000 1.051 1353 V CA 1.521 63.771 62.300 -0.084 0.000 1.048 1353 V CB -0.779 30.935 31.823 -0.182 0.000 0.666 1353 V HN 0.445 nan 8.190 nan 0.000 0.456 1354 H N -1.375 117.716 119.070 0.035 0.000 2.363 1354 H HA -0.121 4.438 4.556 0.005 0.000 0.301 1354 H C 2.172 177.528 175.328 0.048 0.000 1.074 1354 H CA 2.056 58.119 56.048 0.025 0.000 1.354 1354 H CB -0.208 29.560 29.762 0.011 0.000 1.397 1354 H HN 0.613 nan 8.280 nan 0.000 0.516 1355 Y N 1.111 121.477 120.300 0.110 0.000 2.314 1355 Y HA -0.076 4.476 4.550 0.004 0.000 0.293 1355 Y C 2.426 178.379 175.900 0.089 0.000 1.129 1355 Y CA 0.694 58.838 58.100 0.074 0.000 1.201 1355 Y CB -0.298 38.181 38.460 0.032 0.000 0.999 1355 Y HN 0.074 nan 8.280 nan 0.000 0.541 1356 L N -0.171 121.032 121.223 -0.034 0.000 2.179 1356 L HA -0.056 4.287 4.340 0.005 0.000 0.208 1356 L C 2.075 178.877 176.870 -0.114 0.000 1.096 1356 L CA 1.186 55.950 54.840 -0.128 0.000 0.779 1356 L CB -0.330 41.731 42.059 0.003 0.000 0.922 1356 L HN 0.039 nan 8.230 nan 0.000 0.443 1357 E N -0.337 119.838 120.200 -0.042 0.000 2.118 1357 E HA -0.274 4.078 4.350 0.005 0.000 0.195 1357 E C 1.883 178.477 176.600 -0.009 0.000 0.992 1357 E CA 1.217 57.606 56.400 -0.019 0.000 0.804 1357 E CB -0.380 29.332 29.700 0.020 0.000 0.741 1357 E HN 0.605 nan 8.360 nan 0.000 0.458 1358 H N 1.524 120.504 119.070 -0.150 0.000 2.253 1358 H HA -0.084 4.475 4.556 0.005 0.000 0.296 1358 H C 2.036 177.238 175.328 -0.209 0.000 1.067 1358 H CA 2.111 58.051 56.048 -0.181 0.000 1.245 1358 H CB -0.092 29.533 29.762 -0.229 0.000 1.364 1358 H HN 0.025 nan 8.280 nan 0.000 0.494 1359 Q N 0.706 120.302 119.800 -0.340 0.000 2.133 1359 Q HA -0.203 4.140 4.340 0.005 0.000 0.208 1359 Q C 2.352 178.225 176.000 -0.212 0.000 0.991 1359 Q CA 1.662 57.271 55.803 -0.324 0.000 0.867 1359 Q CB -0.317 28.236 28.738 -0.308 0.000 0.911 1359 Q HN 0.515 nan 8.270 nan 0.000 0.417 1360 K N -0.287 120.019 120.400 -0.157 0.000 2.063 1360 K HA -0.102 4.221 4.320 0.005 0.000 0.208 1360 K C 2.194 178.730 176.600 -0.106 0.000 1.048 1360 K CA 1.686 57.910 56.287 -0.105 0.000 0.928 1360 K CB 0.015 32.470 32.500 -0.075 0.000 0.713 1360 K HN 0.227 nan 8.250 nan 0.000 0.442 1361 T N 0.564 115.045 114.554 -0.122 0.000 2.851 1361 T HA -0.067 4.286 4.350 0.005 0.000 0.262 1361 T C 1.996 176.605 174.700 -0.152 0.000 1.043 1361 T CA 0.899 62.933 62.100 -0.110 0.000 1.140 1361 T CB -0.172 68.651 68.868 -0.075 0.000 0.872 1361 T HN -0.084 nan 8.240 nan 0.000 0.446 1362 V N 1.788 121.547 119.914 -0.257 0.000 2.215 1362 V HA -0.194 3.929 4.120 0.005 0.000 0.246 1362 V C 2.698 178.704 176.094 -0.146 0.000 1.047 1362 V CA 1.668 63.812 62.300 -0.259 0.000 0.999 1362 V CB -1.041 30.555 31.823 -0.378 0.000 0.635 1362 V HN 0.284 nan 8.190 nan 0.000 0.450 1363 V N 0.132 119.968 119.914 -0.131 0.000 2.660 1363 V HA -0.309 3.814 4.120 0.005 0.000 0.257 1363 V C 2.533 178.595 176.094 -0.054 0.000 1.088 1363 V CA 2.391 64.645 62.300 -0.075 0.000 1.106 1363 V CB -0.990 30.790 31.823 -0.071 0.000 0.686 1363 V HN 0.486 nan 8.190 nan 0.000 0.481 1364 R N 0.287 120.748 120.500 -0.064 0.000 2.057 1364 R HA -0.100 4.242 4.340 0.005 0.000 0.229 1364 R C 2.571 178.855 176.300 -0.025 0.000 1.136 1364 R CA 1.447 57.520 56.100 -0.044 0.000 0.952 1364 R CB -0.128 30.144 30.300 -0.048 0.000 0.848 1364 R HN 0.423 nan 8.270 nan 0.000 0.430 1365 R N -0.072 120.408 120.500 -0.034 0.000 2.189 1365 R HA -0.050 4.293 4.340 0.005 0.000 0.223 1365 R C 2.185 178.508 176.300 0.039 0.000 1.092 1365 R CA 0.870 56.963 56.100 -0.010 0.000 0.989 1365 R CB -0.272 30.001 30.300 -0.046 0.000 0.876 1365 R HN 0.162 nan 8.270 nan 0.000 0.457 1366 R N 0.602 121.119 120.500 0.028 0.000 2.328 1366 R HA -0.013 4.330 4.340 0.005 0.000 0.200 1366 R C 0.317 176.676 176.300 0.098 0.000 0.983 1366 R CA 0.924 57.077 56.100 0.089 0.000 1.062 1366 R CB 0.266 30.593 30.300 0.045 0.000 0.956 1366 R HN 0.085 nan 8.270 nan 0.000 0.479 1367 T N -0.848 113.742 114.554 0.060 0.000 3.058 1367 T HA 0.033 4.386 4.350 0.005 0.000 0.247 1367 T C 1.278 176.004 174.700 0.044 0.000 0.987 1367 T CA -0.006 62.114 62.100 0.033 0.000 1.062 1367 T CB 0.273 69.135 68.868 -0.010 0.000 1.048 1367 T HN 0.136 nan 8.240 nan 0.000 0.468 1368 Q N 0.147 119.979 119.800 0.053 0.000 2.234 1368 Q HA -0.088 4.254 4.340 0.005 0.000 0.206 1368 Q C 1.724 177.795 176.000 0.118 0.000 0.980 1368 Q CA 1.428 57.268 55.803 0.062 0.000 0.869 1368 Q CB -0.195 28.573 28.738 0.050 0.000 0.912 1368 Q HN 0.569 nan 8.270 nan 0.000 0.436 1369 Y N 0.516 120.822 120.300 0.009 0.000 2.153 1369 Y HA -0.076 4.474 4.550 0.000 0.000 0.289 1369 Y C 1.728 177.654 175.900 0.043 0.000 1.119 1369 Y CA 1.226 59.338 58.100 0.020 0.000 1.116 1369 Y CB -0.356 38.113 38.460 0.015 0.000 1.004 1369 Y HN 0.077 nan 8.280 nan 0.000 0.501 1370 N N 0.853 119.491 118.700 -0.104 0.000 2.417 1370 N HA -0.171 4.572 4.740 0.005 0.000 0.187 1370 N C 1.748 177.248 175.510 -0.016 0.000 1.027 1370 N CA 1.319 54.302 53.050 -0.112 0.000 0.891 1370 N CB -0.380 38.163 38.487 0.093 0.000 0.956 1370 N HN 0.525 nan 8.380 nan 0.000 0.442 1371 L N 0.861 122.079 121.223 -0.008 0.000 2.084 1371 L HA 0.062 4.405 4.340 0.005 0.000 0.202 1371 L C 1.939 178.808 176.870 -0.002 0.000 1.074 1371 L CA 1.251 56.100 54.840 0.016 0.000 0.757 1371 L CB -0.244 41.823 42.059 0.013 0.000 0.918 1371 L HN -0.126 nan 8.230 nan 0.000 0.444 1372 R N -0.180 120.316 120.500 -0.006 0.000 2.293 1372 R HA -0.148 4.195 4.340 0.005 0.000 0.219 1372 R C 2.076 178.359 176.300 -0.027 0.000 1.091 1372 R CA 1.321 57.422 56.100 0.003 0.000 1.004 1372 R CB -0.258 30.066 30.300 0.040 0.000 0.865 1372 R HN 0.448 nan 8.270 nan 0.000 0.469 1373 K N 0.678 121.023 120.400 -0.093 0.000 2.168 1373 K HA 0.071 4.394 4.320 0.005 0.000 0.201 1373 K C 1.993 178.553 176.600 -0.068 0.000 1.049 1373 K CA 0.816 57.034 56.287 -0.114 0.000 0.974 1373 K CB 0.039 32.384 32.500 -0.258 0.000 0.792 1373 K HN 0.068 nan 8.250 nan 0.000 0.463 1374 A N 1.553 124.342 122.820 -0.051 0.000 2.070 1374 A HA -0.126 4.197 4.320 0.005 0.000 0.220 1374 A C 1.784 179.378 177.584 0.017 0.000 1.159 1374 A CA 1.322 53.351 52.037 -0.014 0.000 0.656 1374 A CB -0.282 18.759 19.000 0.068 0.000 0.800 1374 A HN 0.298 nan 8.150 nan 0.000 0.453 1375 K N -0.669 119.744 120.400 0.022 0.000 2.044 1375 K HA -0.066 4.257 4.320 0.005 0.000 0.204 1375 K C 1.080 177.730 176.600 0.084 0.000 1.049 1375 K CA 1.233 57.550 56.287 0.049 0.000 0.945 1375 K CB -0.108 32.415 32.500 0.039 0.000 0.724 1375 K HN 0.341 nan 8.250 nan 0.000 0.440 1376 D N 0.306 120.734 120.400 0.046 0.000 2.249 1376 D HA -0.081 4.562 4.640 0.005 0.000 0.205 1376 D C 1.911 178.267 176.300 0.094 0.000 0.962 1376 D CA 0.667 54.699 54.000 0.052 0.000 0.860 1376 D CB 0.166 40.953 40.800 -0.023 0.000 0.955 1376 D HN -0.006 nan 8.370 nan 0.000 0.505 1377 R N 1.572 122.106 120.500 0.058 0.000 2.092 1377 R HA 0.007 4.350 4.340 0.005 0.000 0.231 1377 R C 1.788 178.149 176.300 0.103 0.000 1.119 1377 R CA 1.682 57.815 56.100 0.056 0.000 0.970 1377 R CB -0.651 29.656 30.300 0.011 0.000 0.864 1377 R HN 0.012 nan 8.270 nan 0.000 0.440 1378 A N -1.117 121.778 122.820 0.125 0.000 2.067 1378 A HA -0.058 4.265 4.320 0.005 0.000 0.217 1378 A C 1.956 179.654 177.584 0.191 0.000 1.156 1378 A CA 1.232 53.386 52.037 0.195 0.000 0.683 1378 A CB -0.724 18.357 19.000 0.135 0.000 0.808 1378 A HN 0.626 nan 8.150 nan 0.000 0.455 1379 H N -0.477 118.636 119.070 0.072 0.000 2.423 1379 H HA -0.031 4.527 4.556 0.004 0.000 0.297 1379 H C 1.761 177.108 175.328 0.032 0.000 1.075 1379 H CA 1.655 57.733 56.048 0.049 0.000 1.342 1379 H CB 0.083 29.865 29.762 0.032 0.000 1.395 1379 H HN 0.353 nan 8.280 nan 0.000 0.530 1380 I N 0.123 120.796 120.570 0.172 0.000 2.162 1380 I HA -0.220 3.953 4.170 0.005 0.000 0.238 1380 I C 2.297 178.431 176.117 0.028 0.000 1.076 1380 I CA 0.958 62.314 61.300 0.093 0.000 1.353 1380 I CB -1.068 36.974 38.000 0.070 0.000 1.063 1380 I HN 0.351 nan 8.210 nan 0.000 0.408 1381 L N 0.555 121.802 121.223 0.040 0.000 2.129 1381 L HA -0.251 4.092 4.340 0.005 0.000 0.212 1381 L C 2.447 179.239 176.870 -0.130 0.000 1.087 1381 L CA 1.446 56.275 54.840 -0.018 0.000 0.757 1381 L CB -0.546 41.559 42.059 0.076 0.000 0.896 1381 L HN 0.331 nan 8.230 nan 0.000 0.434 1382 E N -0.455 119.682 120.200 -0.106 0.000 2.150 1382 E HA -0.154 4.198 4.350 0.005 0.000 0.193 1382 E C 2.174 178.681 176.600 -0.154 0.000 0.985 1382 E CA 0.916 57.213 56.400 -0.171 0.000 0.814 1382 E CB -0.194 29.439 29.700 -0.113 0.000 0.752 1382 E HN 0.572 nan 8.360 nan 0.000 0.466 1383 G N 0.632 109.360 108.800 -0.119 0.000 2.464 1383 G HA2 -0.130 3.833 3.960 0.005 0.000 0.217 1383 G HA3 -0.130 3.833 3.960 0.005 0.000 0.217 1383 G C 1.466 176.295 174.900 -0.118 0.000 1.138 1383 G CA -0.064 44.968 45.100 -0.113 0.000 0.793 1383 G HN 0.073 nan 8.290 nan 0.000 0.539 1384 L N 1.105 122.266 121.223 -0.105 0.000 2.056 1384 L HA -0.031 4.312 4.340 0.005 0.000 0.207 1384 L C 3.115 179.915 176.870 -0.117 0.000 1.078 1384 L CA 1.704 56.486 54.840 -0.097 0.000 0.749 1384 L CB -0.636 41.377 42.059 -0.076 0.000 0.901 1384 L HN 0.419 nan 8.230 nan 0.000 0.433 1385 R N -0.257 120.152 120.500 -0.152 0.000 2.148 1385 R HA -0.081 4.261 4.340 0.005 0.000 0.227 1385 R C 2.018 178.248 176.300 -0.116 0.000 1.103 1385 R CA 1.113 57.124 56.100 -0.149 0.000 0.983 1385 R CB -0.498 29.672 30.300 -0.218 0.000 0.874 1385 R HN 0.274 nan 8.270 nan 0.000 0.451 1386 I N 1.373 121.860 120.570 -0.138 0.000 2.333 1386 I HA -0.065 4.108 4.170 0.005 0.000 0.246 1386 I C 2.480 178.486 176.117 -0.184 0.000 1.106 1386 I CA 1.021 62.230 61.300 -0.153 0.000 1.411 1386 I CB -0.394 37.466 38.000 -0.233 0.000 1.082 1386 I HN 0.288 nan 8.210 nan 0.000 0.420 1387 A N 0.818 123.519 122.820 -0.198 0.000 2.121 1387 A HA -0.079 4.244 4.320 0.005 0.000 0.218 1387 A C 2.261 179.782 177.584 -0.105 0.000 1.154 1387 A CA 1.016 52.938 52.037 -0.191 0.000 0.679 1387 A CB -0.401 18.508 19.000 -0.152 0.000 0.795 1387 A HN 0.318 nan 8.150 nan 0.000 0.458 1388 L N -0.586 120.590 121.223 -0.078 0.000 2.095 1388 L HA -0.047 4.295 4.340 0.005 0.000 0.204 1388 L C 1.111 177.960 176.870 -0.034 0.000 1.080 1388 L CA 1.615 56.424 54.840 -0.051 0.000 0.759 1388 L CB -0.794 41.233 42.059 -0.053 0.000 0.914 1388 L HN 0.354 nan 8.230 nan 0.000 0.439 1389 D N -2.140 118.252 120.400 -0.013 0.000 2.360 1389 D HA 0.032 4.675 4.640 0.005 0.000 0.210 1389 D C 0.925 177.171 176.300 -0.092 0.000 1.047 1389 D CA 0.399 54.381 54.000 -0.030 0.000 0.854 1389 D CB 0.340 41.133 40.800 -0.011 0.000 0.936 1389 D HN 0.385 nan 8.370 nan 0.000 0.514 1390 H N 0.483 119.509 119.070 -0.072 0.000 2.502 1390 H HA 0.156 4.714 4.556 0.004 0.000 0.268 1390 H C 1.397 176.698 175.328 -0.044 0.000 1.177 1390 H CA -0.286 55.747 56.048 -0.025 0.000 0.961 1390 H CB 0.898 30.639 29.762 -0.034 0.000 1.737 1390 H HN 0.050 nan 8.280 nan 0.000 0.569 1391 I N 1.026 121.610 120.570 0.023 0.000 2.099 1391 I HA -0.259 3.914 4.170 0.005 0.000 0.239 1391 I C 1.686 177.819 176.117 0.027 0.000 1.066 1391 I CA 1.830 63.132 61.300 0.003 0.000 1.324 1391 I CB 0.135 38.128 38.000 -0.012 0.000 1.037 1391 I HN 0.175 nan 8.210 nan 0.000 0.401 1392 D N -0.098 120.322 120.400 0.034 0.000 2.310 1392 D HA -0.189 4.454 4.640 0.005 0.000 0.212 1392 D C 1.949 178.294 176.300 0.074 0.000 0.965 1392 D CA 0.948 54.972 54.000 0.040 0.000 0.879 1392 D CB -0.063 40.752 40.800 0.026 0.000 0.921 1392 D HN 0.525 nan 8.370 nan 0.000 0.510 1393 E N 0.727 121.002 120.200 0.126 0.000 2.072 1393 E HA -0.123 4.230 4.350 0.005 0.000 0.191 1393 E C 2.096 178.829 176.600 0.222 0.000 0.985 1393 E CA 0.652 57.176 56.400 0.208 0.000 0.801 1393 E CB 0.052 29.983 29.700 0.385 0.000 0.750 1393 E HN 0.073 nan 8.360 nan 0.000 0.452 1394 I N 0.455 121.122 120.570 0.161 0.000 2.202 1394 I HA -0.206 3.967 4.170 0.005 0.000 0.242 1394 I C 2.130 178.289 176.117 0.071 0.000 1.091 1394 I CA 0.833 62.191 61.300 0.097 0.000 1.368 1394 I CB -1.112 36.874 38.000 -0.024 0.000 1.058 1394 I HN 0.173 nan 8.210 nan 0.000 0.410 1395 I N 1.694 122.294 120.570 0.049 0.000 2.099 1395 I HA -0.287 3.886 4.170 0.005 0.000 0.239 1395 I C 2.730 178.871 176.117 0.041 0.000 1.066 1395 I CA 2.002 63.322 61.300 0.034 0.000 1.324 1395 I CB -0.861 37.153 38.000 0.024 0.000 1.037 1395 I HN 0.248 nan 8.210 nan 0.000 0.401 1396 S N -1.567 114.162 115.700 0.048 0.000 2.547 1396 S HA -0.081 4.392 4.470 0.005 0.000 0.235 1396 S C 1.804 176.433 174.600 0.048 0.000 0.980 1396 S CA 1.185 59.410 58.200 0.042 0.000 0.941 1396 S CB -0.859 62.364 63.200 0.038 0.000 0.763 1396 S HN 0.445 nan 8.310 nan 0.000 0.532 1397 T N 2.501 117.096 114.554 0.069 0.000 2.896 1397 T HA 0.252 4.605 4.350 0.005 0.000 0.263 1397 T C 1.637 176.370 174.700 0.054 0.000 1.050 1397 T CA 0.877 63.021 62.100 0.074 0.000 1.140 1397 T CB -0.275 68.671 68.868 0.130 0.000 0.877 1397 T HN 0.409 nan 8.240 nan 0.000 0.457 1398 I N 0.558 121.156 120.570 0.047 0.000 2.277 1398 I HA -0.046 4.127 4.170 0.005 0.000 0.243 1398 I C 2.761 178.893 176.117 0.025 0.000 1.094 1398 I CA 1.004 62.324 61.300 0.033 0.000 1.393 1398 I CB -0.311 37.705 38.000 0.026 0.000 1.078 1398 I HN 0.044 nan 8.210 nan 0.000 0.417 1399 R N 1.067 121.582 120.500 0.024 0.000 2.105 1399 R HA -0.233 4.110 4.340 0.005 0.000 0.239 1399 R C 2.249 178.559 176.300 0.017 0.000 1.135 1399 R CA 1.983 58.094 56.100 0.018 0.000 0.967 1399 R CB -0.381 29.930 30.300 0.017 0.000 0.861 1399 R HN 0.563 nan 8.270 nan 0.000 0.442 1400 E N 0.326 120.538 120.200 0.020 0.000 2.150 1400 E HA -0.051 4.302 4.350 0.005 0.000 0.193 1400 E C 0.195 176.804 176.600 0.015 0.000 0.985 1400 E CA 0.628 57.038 56.400 0.017 0.000 0.814 1400 E CB 0.039 29.750 29.700 0.017 0.000 0.752 1400 E HN -0.013 nan 8.360 nan 0.000 0.466 1401 S N 1.580 117.291 115.700 0.018 0.000 2.584 1401 S HA -0.008 4.464 4.470 0.005 0.000 0.270 1401 S C 0.407 175.015 174.600 0.013 0.000 1.346 1401 S CA -0.052 58.157 58.200 0.016 0.000 1.018 1401 S CB 0.980 64.192 63.200 0.020 0.000 0.899 1401 S HN 0.499 nan 8.310 nan 0.000 0.542 1402 D N 0.816 121.223 120.400 0.012 0.000 2.999 1402 D HA 0.032 4.675 4.640 0.005 0.000 0.273 1402 D C 0.976 177.282 176.300 0.010 0.000 1.485 1402 D CA 0.505 54.511 54.000 0.010 0.000 1.101 1402 D CB -1.366 39.439 40.800 0.008 0.000 1.109 1402 D HN 0.577 nan 8.370 nan 0.000 0.368 1403 T N -1.228 113.332 114.554 0.010 0.000 2.770 1403 T HA 0.251 4.604 4.350 0.005 0.000 0.281 1403 T C 0.247 174.953 174.700 0.011 0.000 0.981 1403 T CA -0.254 61.852 62.100 0.009 0.000 0.955 1403 T CB 0.874 69.747 68.868 0.009 0.000 1.060 1403 T HN -0.151 nan 8.240 nan 0.000 0.531 1404 D N -0.810 119.596 120.400 0.010 0.000 2.305 1404 D HA 0.109 4.752 4.640 0.005 0.000 0.206 1404 D C 1.914 178.221 176.300 0.012 0.000 0.974 1404 D CA 0.559 54.565 54.000 0.011 0.000 0.871 1404 D CB -0.011 40.795 40.800 0.010 0.000 0.947 1404 D HN 0.550 nan 8.370 nan 0.000 0.516 1405 K N -0.061 120.346 120.400 0.011 0.000 2.283 1405 K HA 0.021 4.343 4.320 0.005 0.000 0.202 1405 K C 1.097 177.704 176.600 0.013 0.000 1.048 1405 K CA 0.582 56.876 56.287 0.012 0.000 0.948 1405 K CB 0.469 32.975 32.500 0.010 0.000 0.742 1405 K HN 0.045 nan 8.250 nan 0.000 0.458 1406 V N -0.289 119.632 119.914 0.013 0.000 3.605 1406 V HA 0.126 4.249 4.120 0.005 0.000 0.284 1406 V C 1.409 177.514 176.094 0.017 0.000 1.386 1406 V CA 0.620 62.929 62.300 0.014 0.000 1.053 1406 V CB 0.889 32.720 31.823 0.012 0.000 0.857 1406 V HN 0.197 nan 8.190 nan 0.000 0.436 1407 A N -0.121 122.710 122.820 0.018 0.000 2.123 1407 A HA 0.051 4.374 4.320 0.005 0.000 0.214 1407 A C 2.076 179.675 177.584 0.026 0.000 1.152 1407 A CA 0.777 52.828 52.037 0.022 0.000 0.728 1407 A CB -0.179 18.833 19.000 0.019 0.000 0.814 1407 A HN 0.383 nan 8.150 nan 0.000 0.464 1408 M N -1.010 118.603 119.600 0.023 0.000 2.156 1408 M HA -0.071 4.412 4.480 0.005 0.000 0.264 1408 M C 1.969 178.286 176.300 0.029 0.000 1.067 1408 M CA 1.622 56.937 55.300 0.025 0.000 1.131 1408 M CB -0.878 31.735 32.600 0.021 0.000 1.368 1408 M HN 0.477 nan 8.290 nan 0.000 0.416 1409 E N 1.039 121.255 120.200 0.025 0.000 2.051 1409 E HA -0.112 4.241 4.350 0.005 0.000 0.192 1409 E C 1.963 178.581 176.600 0.030 0.000 0.991 1409 E CA 1.701 58.116 56.400 0.024 0.000 0.799 1409 E CB 0.027 29.738 29.700 0.018 0.000 0.748 1409 E HN 0.306 nan 8.360 nan 0.000 0.449 1410 S N -0.471 115.249 115.700 0.034 0.000 2.440 1410 S HA -0.093 4.380 4.470 0.005 0.000 0.238 1410 S C 1.561 176.204 174.600 0.071 0.000 1.010 1410 S CA 0.957 59.182 58.200 0.041 0.000 0.972 1410 S CB -0.076 63.149 63.200 0.043 0.000 0.774 1410 S HN 0.250 nan 8.310 nan 0.000 0.501 1411 L N -0.145 121.128 121.223 0.084 0.000 2.575 1411 L HA 0.226 4.569 4.340 0.005 0.000 0.228 1411 L C 2.243 179.181 176.870 0.113 0.000 1.075 1411 L CA 0.215 55.136 54.840 0.135 0.000 0.867 1411 L CB -0.205 41.914 42.059 0.100 0.000 1.097 1411 L HN 0.126 nan 8.230 nan 0.000 0.485 1412 Q N -0.181 119.660 119.800 0.068 0.000 2.245 1412 Q HA -0.105 4.237 4.340 0.005 0.000 0.201 1412 Q C 1.950 177.975 176.000 0.042 0.000 0.955 1412 Q CA 1.007 56.841 55.803 0.052 0.000 0.870 1412 Q CB 0.256 29.017 28.738 0.038 0.000 0.945 1412 Q HN 0.485 nan 8.270 nan 0.000 0.461 1413 Q N -0.091 119.728 119.800 0.031 0.000 2.084 1413 Q HA 0.009 4.352 4.340 0.005 0.000 0.194 1413 Q C 1.567 177.557 176.000 -0.017 0.000 0.969 1413 Q CA 0.735 56.541 55.803 0.007 0.000 0.829 1413 Q CB -0.030 28.707 28.738 -0.002 0.000 0.904 1413 Q HN 0.149 nan 8.270 nan 0.000 0.464 1414 R N -0.941 119.539 120.500 -0.034 0.000 2.320 1414 R HA 0.133 4.476 4.340 0.005 0.000 0.211 1414 R C 0.458 176.581 176.300 -0.294 0.000 0.931 1414 R CA 0.112 56.120 56.100 -0.152 0.000 1.071 1414 R CB 0.333 30.530 30.300 -0.171 0.000 1.025 1414 R HN 0.126 nan 8.270 nan 0.000 0.495 1415 F N -0.694 119.229 119.950 -0.044 0.000 2.915 1415 F HA 0.236 4.766 4.527 0.006 0.000 0.347 1415 F C -0.174 175.582 175.800 -0.073 0.000 1.104 1415 F CA -0.545 57.410 58.000 -0.075 0.000 1.126 1415 F CB 0.855 39.806 39.000 -0.082 0.000 1.145 1415 F HN -0.196 nan 8.300 nan 0.000 0.541 1416 K N 1.932 122.399 120.400 0.111 0.000 3.372 1416 K HA -0.136 4.187 4.320 0.005 0.000 0.272 1416 K C -1.233 175.393 176.600 0.044 0.000 1.037 1416 K CA 0.205 56.526 56.287 0.056 0.000 0.777 1416 K CB -1.280 31.240 32.500 0.033 0.000 1.347 1416 K HN 0.071 nan 8.250 nan 0.000 0.460 1417 L N 0.684 121.935 121.223 0.048 0.000 2.381 1417 L HA 0.414 4.757 4.340 0.005 0.000 0.268 1417 L C 1.217 178.110 176.870 0.037 0.000 0.997 1417 L CA -0.443 54.411 54.840 0.022 0.000 0.818 1417 L CB 1.940 44.006 42.059 0.011 0.000 1.310 1417 L HN 0.427 nan 8.230 nan 0.000 0.416 1418 S N 1.286 117.016 115.700 0.049 0.000 2.625 1418 S HA 0.128 4.601 4.470 0.005 0.000 0.262 1418 S C 0.954 175.597 174.600 0.071 0.000 1.223 1418 S CA -0.036 58.213 58.200 0.081 0.000 0.993 1418 S CB 1.121 64.417 63.200 0.160 0.000 1.051 1418 S HN 0.712 nan 8.310 nan 0.000 0.562 1419 E N 0.385 120.625 120.200 0.067 0.000 2.076 1419 E HA -0.017 4.336 4.350 0.005 0.000 0.190 1419 E C 1.541 178.169 176.600 0.046 0.000 0.979 1419 E CA 0.741 57.169 56.400 0.046 0.000 0.807 1419 E CB -0.163 29.557 29.700 0.033 0.000 0.761 1419 E HN 0.671 nan 8.360 nan 0.000 0.454 1420 K N 0.017 120.451 120.400 0.057 0.000 2.555 1420 K HA -0.040 4.283 4.320 0.005 0.000 0.193 1420 K C 1.417 178.067 176.600 0.083 0.000 1.032 1420 K CA 0.492 56.811 56.287 0.053 0.000 1.004 1420 K CB 0.184 32.696 32.500 0.020 0.000 0.804 1420 K HN 0.197 nan 8.250 nan 0.000 0.496 1421 Q N -1.311 118.540 119.800 0.085 0.000 2.280 1421 Q HA 0.191 4.534 4.340 0.005 0.000 0.228 1421 Q C 1.483 177.494 176.000 0.018 0.000 0.857 1421 Q CA 0.037 55.874 55.803 0.056 0.000 0.939 1421 Q CB 0.906 29.670 28.738 0.044 0.000 1.114 1421 Q HN 0.283 nan 8.270 nan 0.000 0.514 1422 A N 0.434 123.268 122.820 0.024 0.000 1.924 1422 A HA -0.117 4.206 4.320 0.005 0.000 0.211 1422 A C 1.892 179.483 177.584 0.011 0.000 1.198 1422 A CA 0.875 52.920 52.037 0.013 0.000 0.657 1422 A CB -0.168 18.846 19.000 0.023 0.000 0.852 1422 A HN 0.203 nan 8.150 nan 0.000 0.454 1423 Q N 0.326 120.136 119.800 0.017 0.000 2.050 1423 Q HA -0.041 4.302 4.340 0.005 0.000 0.202 1423 Q C 1.776 177.781 176.000 0.009 0.000 0.980 1423 Q CA 2.140 57.951 55.803 0.013 0.000 0.840 1423 Q CB -0.458 28.289 28.738 0.015 0.000 0.898 1423 Q HN 0.526 nan 8.270 nan 0.000 0.424 1424 A N -0.581 122.246 122.820 0.012 0.000 2.235 1424 A HA 0.078 4.401 4.320 0.005 0.000 0.208 1424 A C 1.733 179.315 177.584 -0.003 0.000 1.172 1424 A CA 0.400 52.441 52.037 0.008 0.000 0.786 1424 A CB -0.344 18.665 19.000 0.016 0.000 0.804 1424 A HN 0.526 nan 8.150 nan 0.000 0.479 1425 I N -1.234 119.331 120.570 -0.008 0.000 2.810 1425 I HA -0.030 4.143 4.170 0.005 0.000 0.262 1425 I C 1.895 178.003 176.117 -0.015 0.000 1.131 1425 I CA 0.535 61.822 61.300 -0.021 0.000 1.453 1425 I CB 0.075 38.053 38.000 -0.037 0.000 1.161 1425 I HN 0.269 nan 8.210 nan 0.000 0.444 1426 L N 0.200 121.419 121.223 -0.007 0.000 2.291 1426 L HA -0.139 4.204 4.340 0.005 0.000 0.214 1426 L C 1.377 178.246 176.870 -0.001 0.000 1.120 1426 L CA 0.875 55.714 54.840 -0.002 0.000 0.799 1426 L CB -0.488 41.574 42.059 0.004 0.000 0.925 1426 L HN 0.197 nan 8.230 nan 0.000 0.446 1427 D N -0.469 119.930 120.400 -0.001 0.000 2.347 1427 D HA 0.006 4.649 4.640 0.005 0.000 0.213 1427 D C 1.039 177.337 176.300 -0.002 0.000 0.985 1427 D CA 0.322 54.322 54.000 0.000 0.000 0.879 1427 D CB 0.200 41.002 40.800 0.003 0.000 0.919 1427 D HN 0.152 nan 8.370 nan 0.000 0.526 1428 M N 1.096 120.692 119.600 -0.006 0.000 2.243 1428 M HA 0.108 4.591 4.480 0.005 0.000 0.341 1428 M C 0.226 176.522 176.300 -0.007 0.000 1.130 1428 M CA 0.001 55.296 55.300 -0.008 0.000 1.162 1428 M CB 1.037 33.628 32.600 -0.014 0.000 1.497 1428 M HN -0.226 nan 8.290 nan 0.000 0.456 1429 R N 2.950 123.446 120.500 -0.007 0.000 2.519 1429 R HA 0.351 4.694 4.340 0.005 0.000 0.244 1429 R C 1.040 177.335 176.300 -0.007 0.000 1.241 1429 R CA -0.713 55.383 56.100 -0.006 0.000 1.120 1429 R CB 0.276 30.574 30.300 -0.005 0.000 1.333 1429 R HN 0.785 nan 8.270 nan 0.000 0.587 1430 L N 0.764 121.983 121.223 -0.006 0.000 2.298 1430 L HA 0.060 4.403 4.340 0.005 0.000 0.209 1430 L C 2.519 179.385 176.870 -0.008 0.000 1.084 1430 L CA 0.632 55.468 54.840 -0.007 0.000 0.816 1430 L CB -0.284 41.772 42.059 -0.005 0.000 0.967 1430 L HN 0.585 nan 8.230 nan 0.000 0.460 1431 R N 0.288 120.784 120.500 -0.007 0.000 2.293 1431 R HA -0.091 4.252 4.340 0.005 0.000 0.219 1431 R C 1.770 178.065 176.300 -0.008 0.000 1.091 1431 R CA 0.697 56.793 56.100 -0.007 0.000 1.004 1431 R CB -0.266 30.031 30.300 -0.005 0.000 0.865 1431 R HN 0.258 nan 8.270 nan 0.000 0.469 1432 R N 0.824 121.318 120.500 -0.010 0.000 2.193 1432 R HA 0.046 4.389 4.340 0.005 0.000 0.213 1432 R C 1.797 178.087 176.300 -0.015 0.000 1.055 1432 R CA 0.591 56.684 56.100 -0.013 0.000 0.995 1432 R CB -0.281 30.010 30.300 -0.015 0.000 0.893 1432 R HN 0.310 nan 8.270 nan 0.000 0.459 1433 L N 1.749 122.963 121.223 -0.014 0.000 2.610 1433 L HA -0.018 4.325 4.340 0.005 0.000 0.232 1433 L C 0.768 177.630 176.870 -0.014 0.000 1.149 1433 L CA 0.231 55.062 54.840 -0.015 0.000 0.872 1433 L CB -0.669 41.382 42.059 -0.013 0.000 0.992 1433 L HN 0.110 nan 8.230 nan 0.000 0.447 1434 T N -3.089 111.458 114.554 -0.012 0.000 2.855 1434 T HA 0.131 4.484 4.350 0.005 0.000 0.314 1434 T C 1.431 176.124 174.700 -0.012 0.000 1.077 1434 T CA -0.088 62.006 62.100 -0.010 0.000 1.095 1434 T CB 1.311 70.174 68.868 -0.008 0.000 0.987 1434 T HN 0.236 nan 8.240 nan 0.000 0.546 1435 G N -0.210 108.584 108.800 -0.011 0.000 2.744 1435 G HA2 0.081 4.044 3.960 0.005 0.000 0.211 1435 G HA3 0.081 4.044 3.960 0.005 0.000 0.211 1435 G C 1.167 176.061 174.900 -0.010 0.000 1.143 1435 G CA -0.120 44.973 45.100 -0.011 0.000 0.788 1435 G HN 0.689 nan 8.290 nan 0.000 0.534 1436 L N -0.502 120.716 121.223 -0.009 0.000 2.354 1436 L HA 0.180 4.523 4.340 0.005 0.000 0.212 1436 L C 2.517 179.382 176.870 -0.007 0.000 1.091 1436 L CA 0.468 55.303 54.840 -0.007 0.000 0.828 1436 L CB 0.070 42.126 42.059 -0.005 0.000 0.973 1436 L HN 0.224 nan 8.230 nan 0.000 0.461 1437 E N -0.309 119.886 120.200 -0.010 0.000 2.371 1437 E HA -0.161 4.192 4.350 0.005 0.000 0.194 1437 E C 1.876 178.468 176.600 -0.015 0.000 1.012 1437 E CA 0.058 56.452 56.400 -0.011 0.000 0.860 1437 E CB 0.217 29.910 29.700 -0.011 0.000 0.811 1437 E HN 0.184 nan 8.360 nan 0.000 0.502 1438 R N 1.827 122.316 120.500 -0.018 0.000 2.120 1438 R HA -0.122 4.221 4.340 0.005 0.000 0.234 1438 R C 0.999 177.287 176.300 -0.019 0.000 1.123 1438 R CA 1.643 57.728 56.100 -0.024 0.000 0.975 1438 R CB -0.008 30.277 30.300 -0.025 0.000 0.866 1438 R HN 0.049 nan 8.270 nan 0.000 0.446 1439 D N -0.634 119.759 120.400 -0.011 0.000 2.349 1439 D HA -0.007 4.636 4.640 0.005 0.000 0.214 1439 D C 0.938 177.240 176.300 0.003 0.000 1.063 1439 D CA 0.221 54.219 54.000 -0.004 0.000 0.847 1439 D CB 0.292 41.090 40.800 -0.003 0.000 0.933 1439 D HN 0.333 nan 8.370 nan 0.000 0.513 1440 K N 0.721 121.121 120.400 0.001 0.000 2.352 1440 K HA 0.148 4.471 4.320 0.005 0.000 0.194 1440 K C 1.781 178.389 176.600 0.014 0.000 1.038 1440 K CA 0.027 56.318 56.287 0.007 0.000 1.023 1440 K CB 0.512 33.013 32.500 0.002 0.000 0.840 1440 K HN -0.025 nan 8.250 nan 0.000 0.519 1441 I N 1.998 122.572 120.570 0.007 0.000 2.277 1441 I HA -0.207 3.966 4.170 0.005 0.000 0.243 1441 I C 2.025 178.172 176.117 0.050 0.000 1.094 1441 I CA 1.172 62.481 61.300 0.014 0.000 1.393 1441 I CB -0.146 37.840 38.000 -0.024 0.000 1.078 1441 I HN 0.271 nan 8.210 nan 0.000 0.417 1442 E N 1.795 122.012 120.200 0.029 0.000 2.267 1442 E HA -0.185 4.168 4.350 0.005 0.000 0.197 1442 E C 1.860 178.529 176.600 0.116 0.000 0.998 1442 E CA 1.312 57.757 56.400 0.076 0.000 0.830 1442 E CB -0.216 29.505 29.700 0.035 0.000 0.751 1442 E HN 0.456 nan 8.360 nan 0.000 0.491 1443 A N 0.821 123.684 122.820 0.072 0.000 2.147 1443 A HA 0.010 4.332 4.320 0.005 0.000 0.211 1443 A C 1.951 179.567 177.584 0.054 0.000 1.160 1443 A CA 0.618 52.689 52.037 0.056 0.000 0.781 1443 A CB -0.107 18.912 19.000 0.032 0.000 0.842 1443 A HN 0.305 nan 8.150 nan 0.000 0.475 1444 E N -1.832 118.409 120.200 0.067 0.000 2.276 1444 E HA -0.051 4.302 4.350 0.005 0.000 0.193 1444 E C 1.462 178.113 176.600 0.085 0.000 0.983 1444 E CA 0.223 56.654 56.400 0.052 0.000 0.861 1444 E CB -0.140 29.582 29.700 0.036 0.000 0.817 1444 E HN 0.697 nan 8.360 nan 0.000 0.485 1445 Y N 1.047 121.339 120.300 -0.012 0.000 2.220 1445 Y HA -0.057 4.495 4.550 0.003 0.000 0.291 1445 Y C 1.516 177.417 175.900 0.002 0.000 1.129 1445 Y CA 1.385 59.480 58.100 -0.008 0.000 1.161 1445 Y CB 0.225 38.680 38.460 -0.008 0.000 0.997 1445 Y HN 0.050 nan 8.280 nan 0.000 0.522 1446 N N 0.604 119.324 118.700 0.034 0.000 2.461 1446 N HA -0.085 4.658 4.740 0.005 0.000 0.188 1446 N C 1.125 176.615 175.510 -0.033 0.000 1.134 1446 N CA 0.768 53.797 53.050 -0.036 0.000 0.878 1446 N CB -0.056 38.454 38.487 0.038 0.000 0.972 1446 N HN 0.592 nan 8.380 nan 0.000 0.456 1447 E N -0.094 120.093 120.200 -0.021 0.000 2.400 1447 E HA 0.147 4.500 4.350 0.005 0.000 0.195 1447 E C 1.527 178.124 176.600 -0.006 0.000 1.012 1447 E CA 0.010 56.407 56.400 -0.006 0.000 0.875 1447 E CB 0.372 30.069 29.700 -0.005 0.000 0.859 1447 E HN 0.217 nan 8.360 nan 0.000 0.498 1448 L N 0.338 121.524 121.223 -0.062 0.000 2.102 1448 L HA -0.022 4.321 4.340 0.005 0.000 0.202 1448 L C 2.205 179.040 176.870 -0.058 0.000 1.076 1448 L CA 0.565 55.370 54.840 -0.059 0.000 0.761 1448 L CB -0.217 41.766 42.059 -0.127 0.000 0.921 1448 L HN 0.243 nan 8.230 nan 0.000 0.444 1449 L N -0.275 120.843 121.223 -0.175 0.000 2.261 1449 L HA -0.214 4.128 4.340 0.005 0.000 0.216 1449 L C 1.822 178.655 176.870 -0.062 0.000 1.114 1449 L CA 1.318 56.069 54.840 -0.149 0.000 0.777 1449 L CB -0.719 41.215 42.059 -0.208 0.000 0.910 1449 L HN 0.391 nan 8.230 nan 0.000 0.440 1450 N N -1.061 117.623 118.700 -0.028 0.000 2.207 1450 N HA -0.175 4.568 4.740 0.005 0.000 0.182 1450 N C 1.840 177.360 175.510 0.018 0.000 1.020 1450 N CA 0.604 53.652 53.050 -0.004 0.000 0.858 1450 N CB -0.121 38.372 38.487 0.011 0.000 0.991 1450 N HN 0.208 nan 8.380 nan 0.000 0.427 1451 Y N 1.494 121.756 120.300 -0.063 0.000 2.293 1451 Y HA 0.000 4.555 4.550 0.008 0.000 0.291 1451 Y C 1.624 177.491 175.900 -0.055 0.000 1.137 1451 Y CA 1.148 59.216 58.100 -0.054 0.000 1.202 1451 Y CB 0.026 38.453 38.460 -0.054 0.000 0.990 1451 Y HN 0.035 nan 8.280 nan 0.000 0.537 1452 I N -1.718 118.885 120.570 0.054 0.000 2.500 1452 I HA -0.189 3.983 4.170 0.005 0.000 0.252 1452 I C 2.549 178.623 176.117 -0.072 0.000 1.142 1452 I CA 1.124 62.418 61.300 -0.010 0.000 1.451 1452 I CB -0.546 37.459 38.000 0.008 0.000 1.093 1452 I HN 0.044 nan 8.210 nan 0.000 0.430 1453 S N 0.627 116.286 115.700 -0.069 0.000 2.447 1453 S HA -0.114 4.359 4.470 0.005 0.000 0.233 1453 S C 1.586 176.127 174.600 -0.098 0.000 1.006 1453 S CA 1.134 59.292 58.200 -0.069 0.000 0.957 1453 S CB -0.232 62.937 63.200 -0.052 0.000 0.773 1453 S HN 0.456 nan 8.310 nan 0.000 0.507 1454 E N 0.057 120.163 120.200 -0.157 0.000 2.437 1454 E HA 0.191 4.544 4.350 0.005 0.000 0.189 1454 E C 0.996 177.460 176.600 -0.226 0.000 1.054 1454 E CA 0.015 56.297 56.400 -0.196 0.000 0.874 1454 E CB 0.293 29.838 29.700 -0.259 0.000 1.011 1454 E HN 0.478 nan 8.360 nan 0.000 0.474 1455 L N -0.779 120.332 121.223 -0.187 0.000 2.588 1455 L HA 0.102 4.445 4.340 0.005 0.000 0.194 1455 L C 1.740 178.558 176.870 -0.086 0.000 1.070 1455 L CA 0.223 54.973 54.840 -0.150 0.000 0.852 1455 L CB 0.018 41.992 42.059 -0.142 0.000 1.199 1455 L HN -0.017 nan 8.230 nan 0.000 0.486 1456 E N 0.325 120.484 120.200 -0.068 0.000 2.204 1456 E HA -0.105 4.248 4.350 0.005 0.000 0.194 1456 E C 0.634 177.208 176.600 -0.044 0.000 0.989 1456 E CA 1.369 57.742 56.400 -0.044 0.000 0.824 1456 E CB -0.004 29.675 29.700 -0.034 0.000 0.756 1456 E HN 0.338 nan 8.360 nan 0.000 0.477 1457 T N 0.086 114.607 114.554 -0.054 0.000 3.264 1457 T HA 0.312 4.665 4.350 0.005 0.000 0.257 1457 T C 0.973 175.641 174.700 -0.054 0.000 0.976 1457 T CA 0.024 62.095 62.100 -0.048 0.000 0.908 1457 T CB 0.068 68.909 68.868 -0.045 0.000 1.082 1457 T HN 0.096 nan 8.240 nan 0.000 0.567 1458 I N -0.568 119.968 120.570 -0.057 0.000 4.655 1458 I HA 0.212 4.385 4.170 0.005 0.000 0.333 1458 I C 1.397 177.488 176.117 -0.044 0.000 1.312 1458 I CA 0.142 61.409 61.300 -0.055 0.000 1.270 1458 I CB 0.480 38.437 38.000 -0.071 0.000 1.318 1458 I HN 0.232 nan 8.210 nan 0.000 0.456 1459 L N 0.898 122.097 121.223 -0.039 0.000 2.221 1459 L HA 0.206 4.549 4.340 0.005 0.000 0.202 1459 L C 2.560 179.415 176.870 -0.025 0.000 1.074 1459 L CA 0.943 55.766 54.840 -0.029 0.000 0.795 1459 L CB -0.441 41.604 42.059 -0.024 0.000 0.960 1459 L HN 0.123 nan 8.230 nan 0.000 0.458 1460 A N -1.046 121.759 122.820 -0.026 0.000 2.206 1460 A HA -0.084 4.239 4.320 0.005 0.000 0.211 1460 A C 0.246 177.817 177.584 -0.023 0.000 1.158 1460 A CA 0.617 52.641 52.037 -0.022 0.000 0.761 1460 A CB -0.398 18.590 19.000 -0.020 0.000 0.801 1460 A HN 0.309 nan 8.150 nan 0.000 0.473 1461 D N -0.641 119.743 120.400 -0.027 0.000 2.438 1461 D HA 0.256 4.899 4.640 0.005 0.000 0.257 1461 D C 0.832 177.115 176.300 -0.028 0.000 1.148 1461 D CA -0.349 53.636 54.000 -0.026 0.000 0.902 1461 D CB 0.531 41.314 40.800 -0.029 0.000 1.062 1461 D HN 0.135 nan 8.370 nan 0.000 0.518 1462 E N 1.633 121.818 120.200 -0.025 0.000 2.339 1462 E HA -0.244 4.109 4.350 0.005 0.000 0.201 1462 E C 0.894 177.478 176.600 -0.027 0.000 1.015 1462 E CA 0.933 57.318 56.400 -0.026 0.000 0.841 1462 E CB 0.460 30.146 29.700 -0.023 0.000 0.754 1462 E HN 0.534 nan 8.360 nan 0.000 0.508 1463 E N -0.388 119.797 120.200 -0.026 0.000 2.201 1463 E HA -0.023 4.330 4.350 0.005 0.000 0.193 1463 E C 1.890 178.474 176.600 -0.026 0.000 0.957 1463 E CA 0.223 56.608 56.400 -0.024 0.000 0.858 1463 E CB 0.092 29.779 29.700 -0.021 0.000 0.816 1463 E HN -0.061 nan 8.360 nan 0.000 0.475 1464 V N 1.430 121.327 119.914 -0.029 0.000 2.626 1464 V HA -0.175 3.948 4.120 0.005 0.000 0.252 1464 V C 2.279 178.352 176.094 -0.035 0.000 1.067 1464 V CA 1.644 63.925 62.300 -0.032 0.000 1.081 1464 V CB -0.495 31.305 31.823 -0.037 0.000 0.686 1464 V HN 0.449 nan 8.190 nan 0.000 0.468 1465 L N 0.051 121.253 121.223 -0.036 0.000 2.127 1465 L HA 0.038 4.381 4.340 0.005 0.000 0.203 1465 L C 2.185 179.034 176.870 -0.035 0.000 1.080 1465 L CA 1.954 56.771 54.840 -0.038 0.000 0.768 1465 L CB -1.061 40.974 42.059 -0.040 0.000 0.924 1465 L HN 0.293 nan 8.230 nan 0.000 0.444 1466 L N -0.563 120.640 121.223 -0.033 0.000 2.275 1466 L HA -0.048 4.295 4.340 0.005 0.000 0.215 1466 L C 2.398 179.254 176.870 -0.024 0.000 1.119 1466 L CA 1.865 56.687 54.840 -0.031 0.000 0.790 1466 L CB -1.225 40.816 42.059 -0.029 0.000 0.919 1466 L HN 0.484 nan 8.230 nan 0.000 0.443 1467 Q N 0.518 120.304 119.800 -0.023 0.000 2.046 1467 Q HA -0.202 4.140 4.340 0.005 0.000 0.200 1467 Q C 2.117 178.107 176.000 -0.017 0.000 0.975 1467 Q CA 2.452 58.243 55.803 -0.019 0.000 0.836 1467 Q CB -0.760 27.966 28.738 -0.020 0.000 0.896 1467 Q HN 0.612 nan 8.270 nan 0.000 0.428 1468 L N -0.322 120.888 121.223 -0.022 0.000 2.079 1468 L HA -0.116 4.226 4.340 0.005 0.000 0.210 1468 L C 2.057 178.919 176.870 -0.014 0.000 1.081 1468 L CA 1.655 56.483 54.840 -0.019 0.000 0.752 1468 L CB -0.774 41.268 42.059 -0.028 0.000 0.896 1468 L HN 0.160 nan 8.230 nan 0.000 0.433 1469 V N 0.029 119.931 119.914 -0.020 0.000 2.287 1469 V HA -0.315 3.807 4.120 0.005 0.000 0.248 1469 V C 2.770 178.864 176.094 -0.001 0.000 1.053 1469 V CA 2.217 64.506 62.300 -0.018 0.000 1.027 1469 V CB -0.754 31.048 31.823 -0.036 0.000 0.646 1469 V HN 0.480 nan 8.190 nan 0.000 0.447 1470 R N -0.105 120.395 120.500 -0.001 0.000 2.103 1470 R HA -0.200 4.143 4.340 0.005 0.000 0.242 1470 R C 2.105 178.413 176.300 0.013 0.000 1.142 1470 R CA 1.954 58.059 56.100 0.008 0.000 0.960 1470 R CB -0.448 29.854 30.300 0.002 0.000 0.858 1470 R HN 0.600 nan 8.270 nan 0.000 0.439 1471 D N 0.096 120.500 120.400 0.008 0.000 2.117 1471 D HA -0.136 4.507 4.640 0.005 0.000 0.198 1471 D C 1.694 178.007 176.300 0.020 0.000 0.982 1471 D CA 1.127 55.133 54.000 0.010 0.000 0.828 1471 D CB -0.107 40.695 40.800 0.004 0.000 0.967 1471 D HN 0.363 nan 8.370 nan 0.000 0.464 1472 E N 0.302 120.516 120.200 0.024 0.000 2.106 1472 E HA -0.077 4.276 4.350 0.005 0.000 0.192 1472 E C 2.295 178.929 176.600 0.056 0.000 0.984 1472 E CA 0.448 56.871 56.400 0.038 0.000 0.806 1472 E CB -0.006 29.715 29.700 0.034 0.000 0.750 1472 E HN 0.300 nan 8.360 nan 0.000 0.458 1473 L N 0.427 121.684 121.223 0.055 0.000 2.313 1473 L HA -0.046 4.297 4.340 0.005 0.000 0.214 1473 L C 2.305 179.213 176.870 0.062 0.000 1.119 1473 L CA 0.809 55.694 54.840 0.076 0.000 0.809 1473 L CB -0.445 41.664 42.059 0.084 0.000 0.933 1473 L HN 0.066 nan 8.230 nan 0.000 0.449 1474 T N -1.185 113.395 114.554 0.043 0.000 2.857 1474 T HA -0.160 4.193 4.350 0.005 0.000 0.266 1474 T C 1.743 176.464 174.700 0.034 0.000 1.048 1474 T CA 0.949 63.068 62.100 0.032 0.000 1.139 1474 T CB -0.057 68.823 68.868 0.020 0.000 0.874 1474 T HN 0.340 nan 8.240 nan 0.000 0.455 1475 E N 1.000 121.224 120.200 0.041 0.000 2.051 1475 E HA -0.133 4.220 4.350 0.005 0.000 0.192 1475 E C 2.067 178.711 176.600 0.073 0.000 0.991 1475 E CA 0.992 57.418 56.400 0.043 0.000 0.799 1475 E CB -0.068 29.661 29.700 0.048 0.000 0.748 1475 E HN 0.349 nan 8.360 nan 0.000 0.449 1476 I N 1.281 121.916 120.570 0.108 0.000 2.454 1476 I HA -0.235 3.938 4.170 0.005 0.000 0.254 1476 I C 2.686 178.890 176.117 0.146 0.000 1.156 1476 I CA 1.090 62.495 61.300 0.176 0.000 1.433 1476 I CB -1.012 37.077 38.000 0.148 0.000 1.082 1476 I HN 0.225 nan 8.210 nan 0.000 0.432 1477 R N 1.200 121.742 120.500 0.071 0.000 2.100 1477 R HA -0.110 4.233 4.340 0.005 0.000 0.220 1477 R C 1.418 177.728 176.300 0.016 0.000 1.091 1477 R CA 1.338 57.456 56.100 0.031 0.000 0.986 1477 R CB -0.028 30.285 30.300 0.021 0.000 0.888 1477 R HN 0.199 nan 8.270 nan 0.000 0.444 1478 D N 0.356 120.761 120.400 0.008 0.000 2.234 1478 D HA -0.075 4.568 4.640 0.005 0.000 0.205 1478 D C 1.891 178.154 176.300 -0.063 0.000 0.962 1478 D CA 0.793 54.781 54.000 -0.020 0.000 0.855 1478 D CB -0.041 40.748 40.800 -0.018 0.000 0.951 1478 D HN 0.232 nan 8.370 nan 0.000 0.500 1479 R N -1.082 119.364 120.500 -0.090 0.000 2.100 1479 R HA 0.053 4.396 4.340 0.005 0.000 0.220 1479 R C 1.368 177.396 176.300 -0.454 0.000 1.091 1479 R CA 0.846 56.781 56.100 -0.276 0.000 0.986 1479 R CB 0.120 30.227 30.300 -0.320 0.000 0.888 1479 R HN 0.080 nan 8.270 nan 0.000 0.444 1480 F N -0.990 118.891 119.950 -0.114 0.000 2.592 1480 F HA 0.353 4.881 4.527 0.001 0.000 0.280 1480 F C 1.303 176.990 175.800 -0.189 0.000 1.083 1480 F CA 0.025 57.918 58.000 -0.177 0.000 1.365 1480 F CB -0.313 38.514 39.000 -0.289 0.000 1.100 1480 F HN -0.034 nan 8.300 nan 0.000 0.633 1481 G N 2.469 111.273 108.800 0.008 0.000 2.202 1481 G HA2 0.246 4.209 3.960 0.005 0.000 0.251 1481 G HA3 0.246 4.209 3.960 0.005 0.000 0.251 1481 G C -0.510 174.396 174.900 0.010 0.000 1.219 1481 G CA -0.050 45.034 45.100 -0.025 0.000 0.943 1481 G HN 0.278 nan 8.290 nan 0.000 0.465 1482 D N 1.361 121.791 120.400 0.050 0.000 2.654 1482 D HA 0.366 5.009 4.640 0.005 0.000 0.255 1482 D C -0.583 175.764 176.300 0.079 0.000 1.101 1482 D CA -0.817 53.228 54.000 0.076 0.000 1.116 1482 D CB 0.832 41.707 40.800 0.125 0.000 1.348 1482 D HN 0.283 nan 8.370 nan 0.000 0.609 1483 D N -0.692 119.749 120.400 0.068 0.000 2.358 1483 D HA 0.279 4.922 4.640 0.005 0.000 0.244 1483 D C 0.322 176.657 176.300 0.060 0.000 1.163 1483 D CA -0.288 53.745 54.000 0.054 0.000 0.945 1483 D CB 0.958 41.783 40.800 0.040 0.000 1.152 1483 D HN 0.240 nan 8.370 nan 0.000 0.451 1484 R N 0.516 121.045 120.500 0.048 0.000 2.641 1484 R HA 0.206 4.549 4.340 0.005 0.000 0.269 1484 R C 0.560 176.884 176.300 0.039 0.000 1.074 1484 R CA 0.137 56.264 56.100 0.045 0.000 1.133 1484 R CB 0.546 30.869 30.300 0.038 0.000 1.029 1484 R HN 0.473 nan 8.270 nan 0.000 0.488 1485 R N 0.298 120.822 120.500 0.039 0.000 2.215 1485 R HA 0.128 4.471 4.340 0.005 0.000 0.190 1485 R C -0.100 176.215 176.300 0.025 0.000 0.968 1485 R CA 0.383 56.505 56.100 0.036 0.000 1.122 1485 R CB 0.565 30.890 30.300 0.043 0.000 1.151 1485 R HN 0.542 nan 8.270 nan 0.000 0.582 1486 T N 1.833 116.410 114.554 0.037 0.000 2.749 1486 T HA 0.104 4.457 4.350 0.005 0.000 0.295 1486 T C -0.450 174.247 174.700 -0.004 0.000 0.936 1486 T CA -0.096 62.002 62.100 -0.002 0.000 1.060 1486 T CB 1.447 70.328 68.868 0.021 0.000 0.904 1486 T HN 0.082 nan 8.240 nan 0.000 0.500 1487 E N 3.534 123.718 120.200 -0.028 0.000 2.200 1487 E HA 0.279 4.632 4.350 0.005 0.000 0.283 1487 E C -0.516 176.065 176.600 -0.032 0.000 1.015 1487 E CA -0.575 55.813 56.400 -0.020 0.000 0.819 1487 E CB 0.521 30.209 29.700 -0.020 0.000 1.081 1487 E HN 0.560 nan 8.360 nan 0.000 0.397 1488 I N 4.513 125.075 120.570 -0.014 0.000 2.337 1488 I HA 0.083 4.256 4.170 0.005 0.000 0.291 1488 I C 0.175 176.281 176.117 -0.019 0.000 1.046 1488 I CA -0.235 61.055 61.300 -0.017 0.000 1.324 1488 I CB 1.033 39.036 38.000 0.005 0.000 1.409 1488 I HN 0.472 nan 8.210 nan 0.000 0.494 1489 Q N 5.966 125.747 119.800 -0.032 0.000 2.349 1489 Q HA 0.355 4.698 4.340 0.005 0.000 0.254 1489 Q C -1.130 174.858 176.000 -0.021 0.000 0.980 1489 Q CA -0.712 55.074 55.803 -0.028 0.000 0.924 1489 Q CB 0.918 29.631 28.738 -0.042 0.000 1.209 1489 Q HN 0.506 nan 8.270 nan 0.000 0.445 1490 L N 4.016 125.232 121.223 -0.011 0.000 2.385 1490 L HA 0.574 4.917 4.340 0.005 0.000 0.285 1490 L C 0.723 177.589 176.870 -0.006 0.000 1.125 1490 L CA 0.401 55.238 54.840 -0.006 0.000 0.890 1490 L CB 0.243 42.302 42.059 -0.000 0.000 1.251 1490 L HN 0.757 nan 8.230 nan 0.000 0.445 1491 G N 0.000 108.795 108.800 -0.008 0.000 5.446 1491 G HA2 0.000 3.963 3.960 0.005 0.000 0.244 1491 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 1491 G CA 0.000 45.097 45.100 -0.006 0.000 0.502 1491 G HN 0.000 nan 8.290 nan 0.000 0.925