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 2xct_1_S DATA FIRST_RESID 417 DATA SEQUENCE KLADCSSKSP EECEIFLVEG DSAGGSTKSG RDSRTQAILP LRGKILNVEK DATA SEQUENCE ARLDRILNNN EIRQMITAFG TGIGGDFDLA KARYHKIVIM TDADVDGAHI DATA SEQUENCE RTLLLTFFYR FMRPLIEAGY VYIAQPPTXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXGLGEM NADQLWETTM NPEHRALLQV KLEDAIEADQ DATA SEQUENCE TFEMLMGDVV ENRRQFIEDN AVYAXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXRNITS 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 0.000 176.611 176.600 0.018 0.000 0.988 417 K CA 0.000 56.294 56.287 0.012 0.000 0.838 417 K CB 0.000 32.504 32.500 0.006 0.000 1.064 418 L N 0.379 121.618 121.223 0.027 0.000 2.356 418 L HA 0.827 5.169 4.340 0.003 0.000 0.264 418 L C 0.558 177.458 176.870 0.050 0.000 1.029 418 L CA -0.683 54.181 54.840 0.039 0.000 0.897 418 L CB 0.971 43.059 42.059 0.047 0.000 1.256 418 L HN 0.361 nan 8.230 nan 0.000 0.444 419 A N 3.076 125.923 122.820 0.045 0.000 3.110 419 A HA 0.020 4.342 4.320 0.003 0.000 0.265 419 A C 0.718 178.343 177.584 0.069 0.000 1.962 419 A CA 0.007 52.072 52.037 0.046 0.000 1.493 419 A CB -1.271 17.748 19.000 0.032 0.000 0.941 419 A HN 0.825 nan 8.150 nan 0.000 0.610 420 D N 0.321 120.775 120.400 0.090 0.000 2.351 420 D HA -0.032 4.610 4.640 0.003 0.000 0.232 420 D C 1.107 177.482 176.300 0.125 0.000 1.275 420 D CA 1.062 55.144 54.000 0.136 0.000 0.882 420 D CB 0.549 41.437 40.800 0.146 0.000 1.221 420 D HN 0.657 nan 8.370 nan 0.000 0.485 421 C N 0.361 119.763 119.300 0.169 0.000 2.644 421 C HA 0.480 4.941 4.460 0.003 0.000 0.330 421 C C 2.009 177.056 174.990 0.095 0.000 1.606 421 C CA 0.388 59.489 59.018 0.137 0.000 2.115 421 C CB 0.220 28.070 27.740 0.184 0.000 1.990 421 C HN 0.642 nan 8.230 nan 0.000 0.581 422 S N -0.104 115.640 115.700 0.073 0.000 2.566 422 S HA 0.106 4.578 4.470 0.003 0.000 0.234 422 S C 0.884 175.508 174.600 0.041 0.000 1.075 422 S CA 0.773 59.001 58.200 0.047 0.000 0.926 422 S CB -0.943 62.275 63.200 0.030 0.000 0.811 422 S HN 1.228 nan 8.310 nan 0.000 0.518 423 S N 1.538 117.266 115.700 0.046 0.000 2.474 423 S HA 0.413 4.885 4.470 0.003 0.000 0.276 423 S C -0.351 174.265 174.600 0.027 0.000 1.227 423 S CA -0.576 57.643 58.200 0.032 0.000 1.050 423 S CB 0.431 63.651 63.200 0.033 0.000 0.939 423 S HN 0.296 nan 8.310 nan 0.000 0.490 424 K N 3.310 123.713 120.400 0.004 0.000 2.811 424 K HA 0.291 4.613 4.320 0.003 0.000 0.217 424 K C -0.300 176.275 176.600 -0.041 0.000 1.115 424 K CA 0.012 56.287 56.287 -0.021 0.000 1.179 424 K CB 0.532 33.021 32.500 -0.019 0.000 0.994 424 K HN 0.370 nan 8.250 nan 0.000 0.464 425 S N 2.389 118.066 115.700 -0.038 0.000 2.473 425 S HA 0.149 4.621 4.470 0.003 0.000 0.312 425 S C -1.821 172.723 174.600 -0.094 0.000 1.087 425 S CA -1.300 56.863 58.200 -0.060 0.000 1.077 425 S CB 0.675 63.845 63.200 -0.049 0.000 1.065 425 S HN 0.143 nan 8.310 nan 0.000 0.510 426 P HA -0.133 nan 4.420 nan 0.000 0.228 426 P C 1.422 178.579 177.300 -0.238 0.000 1.151 426 P CA 0.623 63.637 63.100 -0.144 0.000 0.770 426 P CB 0.182 31.825 31.700 -0.095 0.000 0.786 427 E N 0.870 120.847 120.200 -0.373 0.000 2.230 427 E HA -0.155 4.197 4.350 0.003 0.000 0.192 427 E C 1.202 177.575 176.600 -0.379 0.000 0.987 427 E CA 1.110 57.077 56.400 -0.723 0.000 0.841 427 E CB -0.415 28.988 29.700 -0.496 0.000 0.783 427 E HN 0.445 nan 8.360 nan 0.000 0.481 428 E N -0.121 119.973 120.200 -0.177 0.000 2.473 428 E HA 0.205 4.557 4.350 0.003 0.000 0.204 428 E C 0.453 177.056 176.600 0.005 0.000 0.994 428 E CA -0.278 56.079 56.400 -0.071 0.000 0.945 428 E CB 0.032 29.706 29.700 -0.043 0.000 0.990 428 E HN -0.016 nan 8.360 nan 0.000 0.493 429 C N 2.676 121.995 119.300 0.032 0.000 2.604 429 C HA 0.324 4.786 4.460 0.003 0.000 0.396 429 C C -0.001 175.136 174.990 0.244 0.000 1.282 429 C CA -0.347 58.768 59.018 0.162 0.000 2.292 429 C CB -0.068 27.783 27.740 0.186 0.000 2.633 429 C HN 0.493 nan 8.230 nan 0.000 0.620 430 E N 2.010 122.385 120.200 0.291 0.000 2.278 430 E HA 0.543 4.895 4.350 0.003 0.000 0.272 430 E C -1.486 175.181 176.600 0.112 0.000 0.890 430 E CA -0.480 56.011 56.400 0.152 0.000 0.770 430 E CB 1.383 31.110 29.700 0.045 0.000 1.212 430 E HN 0.657 nan 8.360 nan 0.000 0.415 431 I N 3.890 124.367 120.570 -0.155 0.000 2.339 431 I HA 0.322 4.494 4.170 0.003 0.000 0.290 431 I C -1.372 174.707 176.117 -0.064 0.000 0.994 431 I CA -1.148 60.020 61.300 -0.219 0.000 1.191 431 I CB 0.526 38.025 38.000 -0.834 0.000 1.343 431 I HN 0.555 nan 8.210 nan 0.000 0.458 432 F N 7.839 127.782 119.950 -0.012 0.000 2.351 432 F HA 0.326 4.855 4.527 0.003 0.000 0.362 432 F C 0.209 176.043 175.800 0.057 0.000 1.131 432 F CA -0.625 57.402 58.000 0.045 0.000 1.187 432 F CB 0.307 39.335 39.000 0.048 0.000 1.434 432 F HN 0.206 nan 8.300 nan 0.000 0.553 433 L N 4.702 126.049 121.223 0.207 0.000 2.654 433 L HA 0.134 4.476 4.340 0.003 0.000 0.271 433 L C 0.269 177.239 176.870 0.166 0.000 1.169 433 L CA -0.223 54.724 54.840 0.180 0.000 0.947 433 L CB -0.278 41.916 42.059 0.226 0.000 1.232 433 L HN 0.394 nan 8.230 nan 0.000 0.486 434 V N 1.150 121.140 119.914 0.126 0.000 2.769 434 V HA 0.458 4.580 4.120 0.003 0.000 0.312 434 V C -0.056 176.075 176.094 0.063 0.000 1.058 434 V CA -0.948 61.413 62.300 0.102 0.000 0.952 434 V CB 1.934 33.809 31.823 0.088 0.000 1.019 434 V HN 0.788 nan 8.190 nan 0.000 0.445 435 E N 2.762 122.995 120.200 0.054 0.000 2.105 435 E HA 0.532 4.884 4.350 0.003 0.000 0.285 435 E C 0.254 176.867 176.600 0.021 0.000 1.055 435 E CA 0.559 56.981 56.400 0.037 0.000 0.843 435 E CB 0.393 30.121 29.700 0.046 0.000 1.067 435 E HN 1.925 nan 8.360 nan 0.000 0.398 436 G N 4.508 113.317 108.800 0.015 0.000 2.733 436 G HA2 -0.256 3.706 3.960 0.003 0.000 0.686 436 G HA3 -0.256 3.706 3.960 0.003 0.000 0.686 436 G C 0.309 175.202 174.900 -0.013 0.000 1.373 436 G CA -0.172 44.933 45.100 0.009 0.000 0.838 436 G HN 0.696 nan 8.290 nan 0.000 0.588 437 D N 0.245 120.642 120.400 -0.005 0.000 2.178 437 D HA -0.093 4.549 4.640 0.003 0.000 0.201 437 D C 2.521 178.787 176.300 -0.055 0.000 0.980 437 D CA 1.847 55.840 54.000 -0.012 0.000 0.842 437 D CB -0.102 40.705 40.800 0.012 0.000 0.948 437 D HN 0.382 nan 8.370 nan 0.000 0.472 438 S N 0.069 115.696 115.700 -0.122 0.000 2.359 438 S HA -0.161 4.310 4.470 0.003 0.000 0.222 438 S C 1.825 176.269 174.600 -0.260 0.000 1.038 438 S CA 1.567 59.574 58.200 -0.322 0.000 1.051 438 S CB -0.340 62.366 63.200 -0.822 0.000 0.944 438 S HN 0.463 nan 8.310 nan 0.000 0.433 439 A N 0.694 123.395 122.820 -0.198 0.000 2.359 439 A HA 0.477 4.799 4.320 0.003 0.000 0.240 439 A C 1.689 179.244 177.584 -0.048 0.000 1.306 439 A CA 0.553 52.525 52.037 -0.109 0.000 0.898 439 A CB -0.658 18.299 19.000 -0.073 0.000 0.956 439 A HN 0.490 nan 8.150 nan 0.000 0.497 440 G N -0.650 108.123 108.800 -0.044 0.000 2.539 440 G HA2 0.198 4.160 3.960 0.003 0.000 0.215 440 G HA3 0.198 4.160 3.960 0.003 0.000 0.215 440 G C 1.236 176.130 174.900 -0.009 0.000 1.141 440 G CA 0.975 46.066 45.100 -0.014 0.000 0.806 440 G HN 0.548 nan 8.290 nan 0.000 0.533 441 G N 0.924 109.716 108.800 -0.014 0.000 2.439 441 G HA2 -0.060 3.901 3.960 0.003 0.000 0.212 441 G HA3 -0.060 3.901 3.960 0.003 0.000 0.212 441 G C 1.978 176.885 174.900 0.011 0.000 1.199 441 G CA 1.183 46.285 45.100 0.004 0.000 0.807 441 G HN 0.323 nan 8.290 nan 0.000 0.537 442 S N 0.555 116.262 115.700 0.011 0.000 2.420 442 S HA -0.132 4.340 4.470 0.003 0.000 0.237 442 S C 2.369 176.981 174.600 0.020 0.000 1.023 442 S CA 1.748 59.963 58.200 0.026 0.000 0.991 442 S CB -0.321 62.894 63.200 0.025 0.000 0.792 442 S HN 0.442 nan 8.310 nan 0.000 0.488 443 T N 1.354 115.911 114.554 0.004 0.000 2.814 443 T HA 0.049 4.401 4.350 0.003 0.000 0.254 443 T C 1.809 176.503 174.700 -0.010 0.000 1.037 443 T CA 0.830 62.926 62.100 -0.007 0.000 1.143 443 T CB -0.126 68.733 68.868 -0.015 0.000 0.866 443 T HN 0.333 nan 8.240 nan 0.000 0.431 444 K N 0.966 121.363 120.400 -0.006 0.000 2.063 444 K HA -0.004 4.318 4.320 0.003 0.000 0.208 444 K C 1.542 178.127 176.600 -0.025 0.000 1.048 444 K CA 1.088 57.369 56.287 -0.009 0.000 0.928 444 K CB -0.122 32.376 32.500 -0.003 0.000 0.713 444 K HN 0.095 nan 8.250 nan 0.000 0.442 445 S N -1.089 114.599 115.700 -0.020 0.000 2.481 445 S HA 0.270 4.741 4.470 0.003 0.000 0.243 445 S C 0.221 174.795 174.600 -0.044 0.000 1.152 445 S CA -0.100 58.077 58.200 -0.038 0.000 1.168 445 S CB 0.927 64.115 63.200 -0.021 0.000 0.835 445 S HN 0.504 nan 8.310 nan 0.000 0.474 446 G N 1.343 110.117 108.800 -0.043 0.000 3.314 446 G HA2 0.157 4.119 3.960 0.003 0.000 0.230 446 G HA3 0.157 4.119 3.960 0.003 0.000 0.230 446 G C 0.091 174.926 174.900 -0.107 0.000 1.058 446 G CA -0.682 44.407 45.100 -0.018 0.000 0.926 446 G HN 0.527 nan 8.290 nan 0.000 0.564 447 R N 0.918 121.343 120.500 -0.125 0.000 2.312 447 R HA 0.482 4.824 4.340 0.003 0.000 0.311 447 R C -1.016 175.068 176.300 -0.359 0.000 1.004 447 R CA -0.685 55.356 56.100 -0.099 0.000 0.902 447 R CB 1.244 31.547 30.300 0.004 0.000 1.073 447 R HN -0.051 nan 8.270 nan 0.000 0.457 448 D N 2.996 123.068 120.400 -0.547 0.000 2.376 448 D HA -0.084 4.558 4.640 0.003 0.000 0.278 448 D C 0.386 176.648 176.300 -0.062 0.000 1.384 448 D CA 0.114 53.935 54.000 -0.298 0.000 1.033 448 D CB 0.589 41.360 40.800 -0.049 0.000 1.102 448 D HN 0.647 nan 8.370 nan 0.000 0.530 449 S N 3.048 118.697 115.700 -0.085 0.000 2.805 449 S HA -0.075 4.396 4.470 0.003 0.000 0.230 449 S C 1.532 176.141 174.600 0.016 0.000 0.968 449 S CA 0.027 58.213 58.200 -0.024 0.000 0.976 449 S CB -0.026 63.148 63.200 -0.043 0.000 0.787 449 S HN 0.560 nan 8.310 nan 0.000 0.533 450 R N 0.677 121.196 120.500 0.032 0.000 2.221 450 R HA 0.068 4.410 4.340 0.003 0.000 0.195 450 R C 1.395 177.742 176.300 0.078 0.000 0.956 450 R CA 1.336 57.462 56.100 0.043 0.000 1.064 450 R CB 0.319 30.638 30.300 0.031 0.000 1.049 450 R HN 0.614 nan 8.270 nan 0.000 0.534 451 T N -3.254 111.370 114.554 0.116 0.000 3.130 451 T HA 0.256 4.607 4.350 0.003 0.000 0.288 451 T C -0.058 174.771 174.700 0.214 0.000 0.936 451 T CA -0.469 61.720 62.100 0.148 0.000 0.897 451 T CB 0.576 69.523 68.868 0.131 0.000 1.178 451 T HN -0.045 nan 8.240 nan 0.000 0.543 452 Q N 1.350 121.276 119.800 0.210 0.000 2.363 452 Q HA 0.738 5.080 4.340 0.003 0.000 0.265 452 Q C -1.176 174.941 176.000 0.195 0.000 1.032 452 Q CA -0.686 55.270 55.803 0.255 0.000 0.746 452 Q CB 2.085 30.961 28.738 0.230 0.000 1.237 452 Q HN 0.496 nan 8.270 nan 0.000 0.475 453 A N 3.770 126.719 122.820 0.215 0.000 2.330 453 A HA 0.700 5.022 4.320 0.003 0.000 0.327 453 A C -0.611 177.038 177.584 0.108 0.000 1.155 453 A CA -0.539 51.589 52.037 0.152 0.000 0.803 453 A CB 0.705 19.830 19.000 0.208 0.000 1.208 453 A HN 0.754 nan 8.150 nan 0.000 0.477 454 I N 1.559 122.182 120.570 0.088 0.000 2.577 454 I HA 0.496 4.667 4.170 0.003 0.000 0.305 454 I C -0.898 175.254 176.117 0.059 0.000 0.986 454 I CA -0.748 60.601 61.300 0.082 0.000 1.189 454 I CB 1.899 39.934 38.000 0.058 0.000 1.355 454 I HN 0.520 nan 8.210 nan 0.000 0.476 455 L N 8.471 129.732 121.223 0.064 0.000 2.611 455 L HA 0.571 4.913 4.340 0.003 0.000 0.263 455 L C -2.774 174.124 176.870 0.046 0.000 0.969 455 L CA -1.714 53.151 54.840 0.042 0.000 0.894 455 L CB 1.420 43.494 42.059 0.025 0.000 1.229 455 L HN 0.184 nan 8.230 nan 0.000 0.416 456 P HA 0.487 nan 4.420 nan 0.000 0.275 456 P C -1.245 176.061 177.300 0.010 0.000 1.266 456 P CA -0.252 62.862 63.100 0.023 0.000 0.793 456 P CB 0.746 32.453 31.700 0.013 0.000 1.074 457 L N 0.511 121.738 121.223 0.007 0.000 2.541 457 L HA 0.368 4.710 4.340 0.003 0.000 0.266 457 L C 0.106 176.971 176.870 -0.010 0.000 0.966 457 L CA -0.561 54.272 54.840 -0.011 0.000 0.871 457 L CB 1.578 43.630 42.059 -0.011 0.000 1.232 457 L HN 0.190 nan 8.230 nan 0.000 0.408 458 R N 2.963 123.453 120.500 -0.017 0.000 2.710 458 R HA 0.219 4.561 4.340 0.003 0.000 0.301 458 R C 1.236 177.533 176.300 -0.006 0.000 1.331 458 R CA 0.597 56.692 56.100 -0.008 0.000 0.996 458 R CB -0.587 29.704 30.300 -0.015 0.000 1.075 458 R HN 0.896 nan 8.270 nan 0.000 0.500 459 G N 2.943 111.749 108.800 0.011 0.000 2.660 459 G HA2 -0.375 3.587 3.960 0.003 0.000 0.321 459 G HA3 -0.375 3.587 3.960 0.003 0.000 0.321 459 G C -0.335 174.562 174.900 -0.006 0.000 1.246 459 G CA 0.114 45.224 45.100 0.018 0.000 1.000 459 G HN 0.479 nan 8.290 nan 0.000 0.550 460 K N 0.567 120.962 120.400 -0.010 0.000 2.298 460 K HA 0.496 4.818 4.320 0.003 0.000 0.280 460 K C 0.137 176.692 176.600 -0.074 0.000 1.032 460 K CA -0.602 55.659 56.287 -0.043 0.000 0.958 460 K CB 1.750 34.239 32.500 -0.018 0.000 0.978 460 K HN 0.380 nan 8.250 nan 0.000 0.472 461 I N 2.332 122.832 120.570 -0.117 0.000 2.783 461 I HA 0.209 4.381 4.170 0.003 0.000 0.312 461 I C -0.245 175.780 176.117 -0.153 0.000 0.988 461 I CA -1.656 59.553 61.300 -0.153 0.000 1.182 461 I CB 1.082 38.958 38.000 -0.206 0.000 1.368 461 I HN 0.522 nan 8.210 nan 0.000 0.511 462 L N 5.121 126.241 121.223 -0.172 0.000 2.456 462 L HA 0.165 4.507 4.340 0.003 0.000 0.272 462 L C 0.251 177.045 176.870 -0.125 0.000 1.189 462 L CA 0.223 54.981 54.840 -0.135 0.000 0.846 462 L CB 0.056 42.029 42.059 -0.143 0.000 1.111 462 L HN 0.674 nan 8.230 nan 0.000 0.475 463 N N 3.677 122.336 118.700 -0.067 0.000 2.605 463 N HA 0.007 4.749 4.740 0.003 0.000 0.258 463 N C 1.011 176.517 175.510 -0.006 0.000 1.156 463 N CA 0.264 53.296 53.050 -0.029 0.000 1.008 463 N CB 0.553 39.045 38.487 0.008 0.000 1.354 463 N HN 0.609 nan 8.380 nan 0.000 0.509 464 V N 0.817 120.722 119.914 -0.015 0.000 2.380 464 V HA -0.141 3.981 4.120 0.003 0.000 0.251 464 V C 1.726 177.890 176.094 0.116 0.000 1.063 464 V CA 1.407 63.726 62.300 0.031 0.000 1.055 464 V CB -0.468 31.367 31.823 0.020 0.000 0.657 464 V HN 0.411 nan 8.190 nan 0.000 0.455 465 E N 1.409 121.676 120.200 0.112 0.000 2.510 465 E HA -0.023 4.329 4.350 0.003 0.000 0.202 465 E C 1.624 178.275 176.600 0.085 0.000 1.072 465 E CA 1.475 57.943 56.400 0.113 0.000 0.883 465 E CB -0.021 29.751 29.700 0.121 0.000 0.818 465 E HN 0.916 nan 8.360 nan 0.000 0.548 466 K N -0.872 119.569 120.400 0.068 0.000 2.895 466 K HA 0.608 4.930 4.320 0.003 0.000 0.200 466 K C -0.242 176.384 176.600 0.043 0.000 1.133 466 K CA 0.355 56.674 56.287 0.052 0.000 1.060 466 K CB 0.662 33.189 32.500 0.045 0.000 0.735 466 K HN 0.088 nan 8.250 nan 0.000 0.451 467 A N 0.196 123.048 122.820 0.052 0.000 2.465 467 A HA 0.757 5.079 4.320 0.003 0.000 0.292 467 A C 0.330 177.952 177.584 0.063 0.000 1.041 467 A CA -0.110 51.952 52.037 0.042 0.000 0.718 467 A CB 0.747 19.758 19.000 0.019 0.000 1.266 467 A HN 1.286 nan 8.150 nan 0.000 0.403 468 R N 0.773 121.306 120.500 0.055 0.000 2.919 468 R HA 0.278 4.620 4.340 0.003 0.000 0.271 468 R C 1.061 177.412 176.300 0.084 0.000 0.995 468 R CA 0.959 57.099 56.100 0.065 0.000 1.158 468 R CB -0.522 29.805 30.300 0.045 0.000 1.071 468 R HN 1.776 nan 8.270 nan 0.000 0.476 469 L N 0.779 122.065 121.223 0.104 0.000 2.017 469 L HA -0.149 4.193 4.340 0.003 0.000 0.208 469 L C 2.466 179.387 176.870 0.085 0.000 1.073 469 L CA 2.787 57.710 54.840 0.137 0.000 0.745 469 L CB -0.454 41.692 42.059 0.144 0.000 0.894 469 L HN 1.024 nan 8.230 nan 0.000 0.432 470 D N -0.601 119.834 120.400 0.059 0.000 2.172 470 D HA -0.346 4.295 4.640 0.003 0.000 0.196 470 D C 2.136 178.450 176.300 0.022 0.000 0.999 470 D CA 1.851 55.874 54.000 0.038 0.000 0.856 470 D CB -0.383 40.435 40.800 0.029 0.000 0.934 470 D HN 0.349 nan 8.370 nan 0.000 0.453 471 R N 0.507 121.018 120.500 0.019 0.000 2.115 471 R HA 0.108 4.450 4.340 0.003 0.000 0.226 471 R C 2.530 178.815 176.300 -0.024 0.000 1.100 471 R CA 0.650 56.749 56.100 -0.001 0.000 0.980 471 R CB -0.340 29.962 30.300 0.004 0.000 0.875 471 R HN 0.272 nan 8.270 nan 0.000 0.445 472 I N -0.002 120.558 120.570 -0.017 0.000 2.162 472 I HA -0.205 3.967 4.170 0.003 0.000 0.238 472 I C 1.612 177.680 176.117 -0.082 0.000 1.076 472 I CA 1.035 62.291 61.300 -0.074 0.000 1.353 472 I CB -0.183 37.789 38.000 -0.047 0.000 1.063 472 I HN 0.132 nan 8.210 nan 0.000 0.408 473 L N 0.963 122.181 121.223 -0.009 0.000 2.633 473 L HA -0.083 4.259 4.340 0.003 0.000 0.235 473 L C 1.529 178.393 176.870 -0.011 0.000 1.163 473 L CA 0.575 55.421 54.840 0.009 0.000 0.859 473 L CB -0.607 41.492 42.059 0.066 0.000 0.973 473 L HN 0.389 nan 8.230 nan 0.000 0.451 474 N N -0.654 118.029 118.700 -0.028 0.000 2.332 474 N HA -0.033 4.709 4.740 0.003 0.000 0.190 474 N C 0.595 176.072 175.510 -0.054 0.000 1.117 474 N CA 0.036 53.068 53.050 -0.030 0.000 0.883 474 N CB 0.343 38.820 38.487 -0.017 0.000 1.089 474 N HN 0.311 nan 8.380 nan 0.000 0.480 475 N N 2.427 121.079 118.700 -0.081 0.000 2.394 475 N HA -0.065 4.676 4.740 0.003 0.000 0.282 475 N C 1.015 176.453 175.510 -0.119 0.000 1.351 475 N CA -0.003 52.982 53.050 -0.109 0.000 0.936 475 N CB 0.124 38.518 38.487 -0.157 0.000 1.274 475 N HN 0.254 nan 8.380 nan 0.000 0.489 476 N N 2.853 121.501 118.700 -0.087 0.000 2.073 476 N HA -0.305 4.437 4.740 0.003 0.000 0.199 476 N C 0.959 176.403 175.510 -0.109 0.000 1.023 476 N CA 1.793 54.795 53.050 -0.079 0.000 0.880 476 N CB 0.092 38.545 38.487 -0.057 0.000 1.052 476 N HN 0.594 nan 8.380 nan 0.000 0.449 477 E N 0.290 120.409 120.200 -0.134 0.000 2.070 477 E HA -0.179 4.173 4.350 0.003 0.000 0.197 477 E C 2.002 178.453 176.600 -0.249 0.000 1.004 477 E CA 1.088 57.385 56.400 -0.171 0.000 0.805 477 E CB -0.108 29.477 29.700 -0.191 0.000 0.744 477 E HN 0.377 nan 8.360 nan 0.000 0.451 478 I N 0.545 120.920 120.570 -0.325 0.000 2.248 478 I HA -0.268 3.904 4.170 0.003 0.000 0.248 478 I C 2.006 177.980 176.117 -0.239 0.000 1.107 478 I CA 1.543 62.571 61.300 -0.454 0.000 1.373 478 I CB -0.722 37.016 38.000 -0.437 0.000 1.055 478 I HN 0.120 nan 8.210 nan 0.000 0.418 479 R N -0.095 120.319 120.500 -0.144 0.000 2.236 479 R HA -0.063 4.279 4.340 0.003 0.000 0.208 479 R C 1.960 178.223 176.300 -0.061 0.000 1.036 479 R CA 0.526 56.587 56.100 -0.065 0.000 1.001 479 R CB -0.043 30.231 30.300 -0.042 0.000 0.896 479 R HN 0.496 nan 8.270 nan 0.000 0.464 480 Q N -0.623 119.119 119.800 -0.097 0.000 2.402 480 Q HA 0.119 4.461 4.340 0.003 0.000 0.206 480 Q C 1.639 177.554 176.000 -0.142 0.000 0.919 480 Q CA 0.593 56.346 55.803 -0.085 0.000 0.923 480 Q CB 0.397 29.092 28.738 -0.071 0.000 1.048 480 Q HN 0.287 nan 8.270 nan 0.000 0.515 481 M N -0.305 119.161 119.600 -0.223 0.000 2.394 481 M HA 0.015 4.497 4.480 0.003 0.000 0.266 481 M C 1.604 177.437 176.300 -0.778 0.000 1.098 481 M CA 1.095 56.091 55.300 -0.508 0.000 1.149 481 M CB 0.229 32.626 32.600 -0.340 0.000 1.369 481 M HN 0.180 nan 8.290 nan 0.000 0.450 482 I N -0.759 119.688 120.570 -0.206 0.000 2.676 482 I HA -0.169 4.003 4.170 0.003 0.000 0.259 482 I C 2.176 178.344 176.117 0.085 0.000 1.194 482 I CA 0.843 62.185 61.300 0.071 0.000 1.473 482 I CB -0.521 37.593 38.000 0.190 0.000 1.096 482 I HN 0.221 nan 8.210 nan 0.000 0.443 483 T N 0.666 115.224 114.554 0.007 0.000 2.812 483 T HA -0.010 4.342 4.350 0.003 0.000 0.264 483 T C 1.861 176.626 174.700 0.107 0.000 1.042 483 T CA 1.421 63.552 62.100 0.053 0.000 1.140 483 T CB -0.071 68.812 68.868 0.024 0.000 0.870 483 T HN 0.453 nan 8.240 nan 0.000 0.445 484 A N -0.250 122.605 122.820 0.058 0.000 2.235 484 A HA 0.248 4.570 4.320 0.003 0.000 0.208 484 A C 1.201 179.156 177.584 0.618 0.000 1.172 484 A CA 0.555 52.744 52.037 0.252 0.000 0.786 484 A CB -0.464 18.600 19.000 0.108 0.000 0.804 484 A HN 0.446 nan 8.150 nan 0.000 0.479 485 F N -1.509 118.600 119.950 0.266 0.000 2.637 485 F HA 0.294 4.823 4.527 0.003 0.000 0.284 485 F C 2.013 177.902 175.800 0.150 0.000 1.105 485 F CA -0.212 57.937 58.000 0.249 0.000 1.356 485 F CB -1.011 38.140 39.000 0.251 0.000 1.096 485 F HN 0.310 nan 8.300 nan 0.000 0.616 486 G N 0.981 109.961 108.800 0.299 0.000 2.244 486 G HA2 -0.410 3.552 3.960 0.003 0.000 0.274 486 G HA3 -0.410 3.552 3.960 0.003 0.000 0.274 486 G C 1.223 176.183 174.900 0.099 0.000 1.002 486 G CA 1.295 46.489 45.100 0.157 0.000 0.740 486 G HN 0.473 nan 8.290 nan 0.000 0.516 487 T N -3.057 111.586 114.554 0.147 0.000 2.976 487 T HA 0.472 4.823 4.350 0.003 0.000 0.257 487 T C 1.946 176.666 174.700 0.033 0.000 1.051 487 T CA 1.489 63.565 62.100 -0.041 0.000 1.141 487 T CB 0.381 69.188 68.868 -0.102 0.000 0.881 487 T HN 2.330 nan 8.240 nan 0.000 0.461 488 G N 1.658 110.568 108.800 0.183 0.000 2.526 488 G HA2 0.074 4.036 3.960 0.003 0.000 0.250 488 G HA3 0.074 4.036 3.960 0.003 0.000 0.250 488 G C -0.675 174.410 174.900 0.307 0.000 1.289 488 G CA -0.442 44.774 45.100 0.193 0.000 0.947 488 G HN 1.356 nan 8.290 nan 0.000 0.517 489 I N -2.283 118.445 120.570 0.264 0.000 3.042 489 I HA 0.827 4.999 4.170 0.003 0.000 0.310 489 I C 1.164 177.389 176.117 0.180 0.000 1.117 489 I CA 0.127 61.602 61.300 0.293 0.000 1.003 489 I CB 1.729 39.958 38.000 0.382 0.000 1.228 489 I HN 2.698 nan 8.210 nan 0.000 0.443 490 G N 2.805 111.650 108.800 0.076 0.000 2.622 490 G HA2 -0.321 3.641 3.960 0.003 0.000 0.307 490 G HA3 -0.321 3.641 3.960 0.003 0.000 0.307 490 G C 0.797 175.700 174.900 0.005 0.000 1.226 490 G CA 0.735 45.799 45.100 -0.061 0.000 0.997 490 G HN 1.535 nan 8.290 nan 0.000 0.551 491 G N -0.217 108.580 108.800 -0.005 0.000 2.464 491 G HA2 0.113 4.075 3.960 0.003 0.000 0.217 491 G HA3 0.113 4.075 3.960 0.003 0.000 0.217 491 G C 1.145 176.080 174.900 0.058 0.000 1.138 491 G CA 1.521 46.631 45.100 0.016 0.000 0.793 491 G HN 0.717 nan 8.290 nan 0.000 0.539 492 D N 0.099 120.540 120.400 0.067 0.000 2.378 492 D HA -0.027 4.615 4.640 0.003 0.000 0.227 492 D C 0.846 177.195 176.300 0.082 0.000 1.012 492 D CA -0.215 53.821 54.000 0.060 0.000 0.905 492 D CB -0.070 40.766 40.800 0.061 0.000 0.895 492 D HN 0.293 nan 8.370 nan 0.000 0.532 493 F N 1.982 121.919 119.950 -0.021 0.000 2.586 493 F HA 0.073 4.602 4.527 0.004 0.000 0.335 493 F C 0.459 176.232 175.800 -0.045 0.000 1.210 493 F CA 0.226 58.208 58.000 -0.029 0.000 1.359 493 F CB 0.630 39.590 39.000 -0.067 0.000 1.142 493 F HN -0.278 nan 8.300 nan 0.000 0.606 494 D N 4.597 124.174 120.400 -1.372 0.000 2.527 494 D HA 0.049 4.691 4.640 0.003 0.000 0.242 494 D C 0.595 176.213 176.300 -1.137 0.000 1.285 494 D CA -0.290 53.170 54.000 -0.900 0.000 0.886 494 D CB 0.739 41.283 40.800 -0.426 0.000 1.402 494 D HN 0.615 nan 8.370 nan 0.000 0.528 495 L N 2.723 123.308 121.223 -1.063 0.000 2.351 495 L HA -0.107 4.235 4.340 0.003 0.000 0.220 495 L C 1.822 178.514 176.870 -0.297 0.000 1.127 495 L CA 2.299 56.831 54.840 -0.512 0.000 0.786 495 L CB -0.111 41.868 42.059 -0.132 0.000 0.914 495 L HN 0.392 nan 8.230 nan 0.000 0.443 496 A N -1.245 121.434 122.820 -0.235 0.000 1.943 496 A HA -0.075 4.247 4.320 0.003 0.000 0.213 496 A C 2.258 179.801 177.584 -0.068 0.000 1.181 496 A CA 0.968 52.954 52.037 -0.085 0.000 0.653 496 A CB -0.283 18.675 19.000 -0.070 0.000 0.833 496 A HN 0.432 nan 8.150 nan 0.000 0.451 497 K N 0.376 120.681 120.400 -0.159 0.000 2.365 497 K HA 0.175 4.497 4.320 0.003 0.000 0.199 497 K C 0.867 177.431 176.600 -0.061 0.000 1.045 497 K CA 0.307 56.527 56.287 -0.112 0.000 0.962 497 K CB -0.330 32.082 32.500 -0.146 0.000 0.759 497 K HN 0.466 nan 8.250 nan 0.000 0.469 498 A N 1.633 124.416 122.820 -0.062 0.000 2.587 498 A HA -0.105 4.216 4.320 0.003 0.000 0.235 498 A C 0.705 178.336 177.584 0.078 0.000 1.044 498 A CA 0.391 52.470 52.037 0.070 0.000 0.754 498 A CB 0.172 19.300 19.000 0.214 0.000 0.968 498 A HN 0.355 nan 8.150 nan 0.000 0.509 499 R N 0.615 121.115 120.500 -0.000 0.000 2.223 499 R HA 0.116 4.458 4.340 0.003 0.000 0.198 499 R C -0.805 175.183 176.300 -0.519 0.000 0.984 499 R CA 0.683 56.591 56.100 -0.320 0.000 1.018 499 R CB 0.179 30.136 30.300 -0.571 0.000 0.945 499 R HN 0.756 nan 8.270 nan 0.000 0.479 500 Y N -0.879 119.513 120.300 0.154 0.000 2.425 500 Y HA 0.326 4.878 4.550 0.003 0.000 0.344 500 Y C 0.820 176.715 175.900 -0.009 0.000 0.969 500 Y CA -0.945 57.212 58.100 0.094 0.000 1.052 500 Y CB 1.378 39.895 38.460 0.094 0.000 1.215 500 Y HN -0.065 nan 8.280 nan 0.000 0.451 501 H N 1.570 120.515 119.070 -0.209 0.000 2.526 501 H HA 0.214 4.772 4.556 0.003 0.000 0.274 501 H C -0.347 174.754 175.328 -0.380 0.000 0.999 501 H CA 0.273 55.878 56.048 -0.738 0.000 1.157 501 H CB 0.568 30.000 29.762 -0.549 0.000 1.407 501 H HN 0.436 nan 8.280 nan 0.000 0.568 502 K N 1.490 121.916 120.400 0.043 0.000 2.814 502 K HA 0.188 4.509 4.320 0.003 0.000 0.205 502 K C -1.276 175.372 176.600 0.079 0.000 1.093 502 K CA -0.442 55.969 56.287 0.207 0.000 1.035 502 K CB 1.179 33.650 32.500 -0.048 0.000 1.220 502 K HN -0.014 nan 8.250 nan 0.000 0.576 503 I N 2.401 123.014 120.570 0.072 0.000 2.322 503 I HA 0.060 4.232 4.170 0.003 0.000 0.292 503 I C -0.078 176.070 176.117 0.051 0.000 1.060 503 I CA -0.336 60.958 61.300 -0.009 0.000 1.309 503 I CB 1.049 38.973 38.000 -0.128 0.000 1.415 503 I HN 0.055 nan 8.210 nan 0.000 0.492 504 V N 7.575 127.448 119.914 -0.067 0.000 2.384 504 V HA 0.402 4.523 4.120 0.003 0.000 0.287 504 V C 0.277 176.419 176.094 0.079 0.000 1.020 504 V CA -0.699 61.564 62.300 -0.061 0.000 0.850 504 V CB 1.314 32.847 31.823 -0.484 0.000 0.987 504 V HN 0.404 nan 8.190 nan 0.000 0.436 505 I N 5.394 126.058 120.570 0.157 0.000 2.294 505 I HA 0.351 4.522 4.170 0.003 0.000 0.295 505 I C 0.110 176.324 176.117 0.161 0.000 1.098 505 I CA 0.160 61.569 61.300 0.182 0.000 1.277 505 I CB 0.423 38.541 38.000 0.195 0.000 1.434 505 I HN 0.640 nan 8.210 nan 0.000 0.498 506 M N 8.360 128.070 119.600 0.185 0.000 2.055 506 M HA 0.354 4.836 4.480 0.003 0.000 0.346 506 M C -0.553 175.825 176.300 0.130 0.000 1.074 506 M CA -0.110 55.295 55.300 0.174 0.000 1.009 506 M CB 0.612 33.357 32.600 0.241 0.000 1.423 506 M HN 0.650 nan 8.290 nan 0.000 0.410 507 T N 0.412 115.029 114.554 0.105 0.000 2.908 507 T HA 0.471 4.823 4.350 0.003 0.000 0.290 507 T C -0.450 174.298 174.700 0.079 0.000 1.034 507 T CA -1.086 61.066 62.100 0.086 0.000 1.010 507 T CB 1.390 70.305 68.868 0.079 0.000 1.068 507 T HN 0.695 nan 8.240 nan 0.000 0.481 508 D N 0.715 121.159 120.400 0.075 0.000 2.400 508 D HA 0.156 4.797 4.640 0.003 0.000 0.238 508 D C 0.371 176.716 176.300 0.074 0.000 1.157 508 D CA -0.637 53.408 54.000 0.076 0.000 0.889 508 D CB 0.654 41.506 40.800 0.087 0.000 1.199 508 D HN 0.817 nan 8.370 nan 0.000 0.436 509 A N 2.021 124.882 122.820 0.069 0.000 3.074 509 A HA 0.342 4.664 4.320 0.003 0.000 0.251 509 A C -0.510 177.109 177.584 0.058 0.000 1.695 509 A CA -0.394 51.679 52.037 0.060 0.000 1.343 509 A CB -1.064 17.968 19.000 0.054 0.000 1.078 509 A HN 0.667 nan 8.150 nan 0.000 0.644 510 D N -2.395 118.042 120.400 0.062 0.000 2.579 510 D HA 0.261 4.902 4.640 0.003 0.000 0.257 510 D C 0.765 177.099 176.300 0.057 0.000 1.176 510 D CA -0.028 54.005 54.000 0.055 0.000 0.914 510 D CB 0.834 41.669 40.800 0.059 0.000 1.431 510 D HN 0.305 nan 8.370 nan 0.000 0.454 511 V N -0.859 119.082 119.914 0.046 0.000 2.568 511 V HA -0.174 3.948 4.120 0.003 0.000 0.253 511 V C 0.904 177.037 176.094 0.066 0.000 1.072 511 V CA 2.131 64.456 62.300 0.043 0.000 1.084 511 V CB -0.525 31.310 31.823 0.020 0.000 0.676 511 V HN 0.580 nan 8.190 nan 0.000 0.469 512 D N 0.640 121.085 120.400 0.075 0.000 2.213 512 D HA 0.043 4.685 4.640 0.003 0.000 0.205 512 D C 2.180 178.556 176.300 0.126 0.000 0.961 512 D CA 1.378 55.443 54.000 0.109 0.000 0.853 512 D CB -0.117 40.738 40.800 0.092 0.000 0.967 512 D HN 0.591 nan 8.370 nan 0.000 0.496 513 G N 0.876 109.734 108.800 0.096 0.000 2.422 513 G HA2 -0.201 3.761 3.960 0.003 0.000 0.218 513 G HA3 -0.201 3.761 3.960 0.003 0.000 0.218 513 G C 1.599 176.550 174.900 0.086 0.000 1.146 513 G CA 0.996 46.147 45.100 0.085 0.000 0.769 513 G HN 0.338 nan 8.290 nan 0.000 0.547 514 A N -0.634 122.242 122.820 0.093 0.000 2.168 514 A HA 0.095 4.417 4.320 0.003 0.000 0.215 514 A C 1.858 179.518 177.584 0.127 0.000 1.152 514 A CA 1.433 53.524 52.037 0.091 0.000 0.716 514 A CB -0.539 18.506 19.000 0.075 0.000 0.794 514 A HN 0.629 nan 8.150 nan 0.000 0.465 515 H N -0.335 118.751 119.070 0.026 0.000 2.266 515 H HA 0.005 4.563 4.556 0.003 0.000 0.308 515 H C 1.935 177.275 175.328 0.020 0.000 1.057 515 H CA 1.298 57.358 56.048 0.020 0.000 1.330 515 H CB -0.152 29.621 29.762 0.018 0.000 1.400 515 H HN 0.325 nan 8.280 nan 0.000 0.503 516 I N 0.891 121.387 120.570 -0.123 0.000 2.210 516 I HA -0.425 3.747 4.170 0.003 0.000 0.249 516 I C 2.912 178.971 176.117 -0.096 0.000 1.047 516 I CA 1.651 62.858 61.300 -0.156 0.000 1.323 516 I CB -0.372 37.603 38.000 -0.040 0.000 1.017 516 I HN 0.394 nan 8.210 nan 0.000 0.427 517 R N 0.325 120.815 120.500 -0.016 0.000 2.070 517 R HA -0.184 4.158 4.340 0.003 0.000 0.233 517 R C 2.487 178.797 176.300 0.016 0.000 1.137 517 R CA 2.477 58.590 56.100 0.023 0.000 0.945 517 R CB -0.434 29.901 30.300 0.059 0.000 0.845 517 R HN 0.584 nan 8.270 nan 0.000 0.430 518 T N 0.341 114.905 114.554 0.017 0.000 2.565 518 T HA -0.268 4.084 4.350 0.003 0.000 0.265 518 T C 2.029 176.746 174.700 0.029 0.000 1.082 518 T CA 1.854 63.971 62.100 0.028 0.000 1.173 518 T CB -0.943 67.948 68.868 0.039 0.000 0.864 518 T HN 0.228 nan 8.240 nan 0.000 0.425 519 L N 0.697 121.877 121.223 -0.072 0.000 2.011 519 L HA -0.201 4.141 4.340 0.003 0.000 0.225 519 L C 3.011 179.834 176.870 -0.078 0.000 1.084 519 L CA 2.073 56.857 54.840 -0.093 0.000 0.791 519 L CB -0.893 41.041 42.059 -0.209 0.000 0.898 519 L HN 0.332 nan 8.230 nan 0.000 0.440 520 L N -0.776 120.368 121.223 -0.132 0.000 1.955 520 L HA -0.302 4.040 4.340 0.003 0.000 0.213 520 L C 2.627 179.277 176.870 -0.367 0.000 1.072 520 L CA 1.487 56.149 54.840 -0.297 0.000 0.755 520 L CB -0.542 41.377 42.059 -0.233 0.000 0.888 520 L HN 0.275 nan 8.230 nan 0.000 0.432 521 L N -0.706 120.486 121.223 -0.051 0.000 2.103 521 L HA -0.330 4.012 4.340 0.003 0.000 0.215 521 L C 2.587 179.566 176.870 0.181 0.000 1.080 521 L CA 1.830 56.784 54.840 0.190 0.000 0.764 521 L CB -0.757 41.485 42.059 0.306 0.000 0.890 521 L HN 0.346 nan 8.230 nan 0.000 0.435 522 T N -0.814 113.855 114.554 0.192 0.000 2.821 522 T HA -0.213 4.139 4.350 0.003 0.000 0.267 522 T C 1.470 176.161 174.700 -0.015 0.000 1.046 522 T CA 1.479 63.611 62.100 0.053 0.000 1.139 522 T CB -0.260 68.742 68.868 0.223 0.000 0.871 522 T HN 0.407 nan 8.240 nan 0.000 0.454 523 F N 0.485 120.338 119.950 -0.162 0.000 2.407 523 F HA 0.201 4.730 4.527 0.003 0.000 0.299 523 F C 1.448 177.307 175.800 0.099 0.000 1.097 523 F CA 0.674 58.591 58.000 -0.138 0.000 1.422 523 F CB -0.531 38.274 39.000 -0.325 0.000 1.067 523 F HN 0.205 nan 8.300 nan 0.000 0.539 524 F N -1.592 118.221 119.950 -0.228 0.000 2.416 524 F HA -0.091 4.438 4.527 0.002 0.000 0.296 524 F C 1.946 177.603 175.800 -0.239 0.000 1.099 524 F CA 0.378 58.193 58.000 -0.308 0.000 1.427 524 F CB -0.343 38.586 39.000 -0.118 0.000 1.079 524 F HN 0.088 nan 8.300 nan 0.000 0.536 525 Y N 0.673 120.862 120.300 -0.185 0.000 2.448 525 Y HA 0.024 4.576 4.550 0.004 0.000 0.289 525 Y C 2.210 177.929 175.900 -0.301 0.000 1.114 525 Y CA 0.616 58.524 58.100 -0.319 0.000 1.235 525 Y CB -0.064 37.988 38.460 -0.680 0.000 1.045 525 Y HN -0.268 nan 8.280 nan 0.000 0.554 526 R N -0.165 120.255 120.500 -0.132 0.000 2.046 526 R HA 0.001 4.343 4.340 0.003 0.000 0.223 526 R C 1.715 177.895 176.300 -0.200 0.000 1.179 526 R CA 1.295 57.318 56.100 -0.129 0.000 0.952 526 R CB -1.470 28.898 30.300 0.114 0.000 0.843 526 R HN 0.320 nan 8.270 nan 0.000 0.439 527 F N -0.018 119.788 119.950 -0.241 0.000 2.811 527 F HA 0.232 4.761 4.527 0.003 0.000 0.301 527 F C 1.134 176.732 175.800 -0.336 0.000 1.151 527 F CA 0.663 58.533 58.000 -0.217 0.000 1.412 527 F CB 0.056 38.987 39.000 -0.116 0.000 1.113 527 F HN -0.066 nan 8.300 nan 0.000 0.579 528 M N -1.435 117.978 119.600 -0.311 0.000 4.510 528 M HA 0.185 4.667 4.480 0.003 0.000 0.567 528 M C 1.608 177.522 176.300 -0.643 0.000 2.034 528 M CA 0.042 54.975 55.300 -0.612 0.000 0.564 528 M CB 0.182 32.465 32.600 -0.528 0.000 1.478 528 M HN -0.054 nan 8.290 nan 0.000 0.607 529 R N 0.646 120.829 120.500 -0.529 0.000 2.117 529 R HA -0.066 4.276 4.340 0.003 0.000 0.243 529 R C -0.922 175.112 176.300 -0.444 0.000 1.143 529 R CA 2.036 57.855 56.100 -0.467 0.000 0.968 529 R CB -2.688 27.282 30.300 -0.549 0.000 0.863 529 R HN 0.276 nan 8.270 nan 0.000 0.444 530 P HA -0.194 nan 4.420 nan 0.000 0.216 530 P C 1.489 178.521 177.300 -0.446 0.000 1.157 530 P CA 1.079 63.934 63.100 -0.408 0.000 0.880 530 P CB -0.203 31.280 31.700 -0.362 0.000 0.791 531 L N -0.925 119.919 121.223 -0.632 0.000 2.043 531 L HA -0.183 4.159 4.340 0.003 0.000 0.212 531 L C 2.258 178.883 176.870 -0.409 0.000 1.075 531 L CA 1.829 56.323 54.840 -0.577 0.000 0.752 531 L CB -1.006 40.674 42.059 -0.631 0.000 0.891 531 L HN -0.096 nan 8.230 nan 0.000 0.432 532 I N -1.035 119.331 120.570 -0.339 0.000 2.439 532 I HA -0.219 3.953 4.170 0.003 0.000 0.251 532 I C 1.997 178.008 176.117 -0.177 0.000 1.139 532 I CA 0.976 62.144 61.300 -0.220 0.000 1.438 532 I CB -0.361 37.573 38.000 -0.109 0.000 1.085 532 I HN 0.320 nan 8.210 nan 0.000 0.427 533 E N 1.009 121.093 120.200 -0.193 0.000 2.482 533 E HA -0.006 4.346 4.350 0.003 0.000 0.196 533 E C 1.521 178.047 176.600 -0.124 0.000 1.047 533 E CA 0.627 56.944 56.400 -0.139 0.000 0.869 533 E CB 0.099 29.711 29.700 -0.146 0.000 0.836 533 E HN 0.442 nan 8.360 nan 0.000 0.520 534 A N 0.646 123.367 122.820 -0.166 0.000 2.500 534 A HA 0.403 4.725 4.320 0.003 0.000 0.267 534 A C 1.258 178.941 177.584 0.165 0.000 1.290 534 A CA 0.288 52.268 52.037 -0.094 0.000 0.928 534 A CB -0.042 18.672 19.000 -0.475 0.000 1.066 534 A HN 0.185 nan 8.150 nan 0.000 0.516 535 G N -1.079 107.738 108.800 0.027 0.000 2.338 535 G HA2 -0.326 3.636 3.960 0.003 0.000 0.296 535 G HA3 -0.326 3.636 3.960 0.003 0.000 0.296 535 G C 0.277 175.175 174.900 -0.005 0.000 1.040 535 G CA 0.975 46.070 45.100 -0.008 0.000 1.004 535 G HN 0.652 nan 8.290 nan 0.000 0.509 536 Y N -1.805 118.240 120.300 -0.425 0.000 2.483 536 Y HA 0.352 4.903 4.550 0.003 0.000 0.258 536 Y C 1.212 176.717 175.900 -0.659 0.000 1.083 536 Y CA -0.084 57.792 58.100 -0.373 0.000 1.283 536 Y CB 1.262 39.528 38.460 -0.324 0.000 1.178 536 Y HN 0.229 nan 8.280 nan 0.000 0.515 537 V N 1.581 121.036 119.914 -0.766 0.000 2.376 537 V HA 0.297 4.419 4.120 0.003 0.000 0.287 537 V C -1.170 174.531 176.094 -0.656 0.000 1.015 537 V CA -0.907 61.039 62.300 -0.589 0.000 0.834 537 V CB 0.085 31.712 31.823 -0.327 0.000 1.001 537 V HN 0.046 nan 8.190 nan 0.000 0.428 538 Y N 4.107 124.390 120.300 -0.027 0.000 2.773 538 Y HA 0.774 5.325 4.550 0.002 0.000 0.323 538 Y C -0.103 175.804 175.900 0.011 0.000 1.183 538 Y CA -1.798 56.295 58.100 -0.013 0.000 1.144 538 Y CB 1.433 39.863 38.460 -0.050 0.000 1.340 538 Y HN 0.343 nan 8.280 nan 0.000 0.531 539 I N 1.106 121.801 120.570 0.208 0.000 2.497 539 I HA 0.579 4.751 4.170 0.003 0.000 0.284 539 I C -0.012 176.174 176.117 0.115 0.000 1.060 539 I CA -1.104 60.281 61.300 0.142 0.000 1.071 539 I CB 1.441 39.512 38.000 0.118 0.000 1.216 539 I HN 0.791 nan 8.210 nan 0.000 0.442 540 A N 5.398 128.286 122.820 0.114 0.000 2.377 540 A HA 0.208 4.530 4.320 0.003 0.000 0.274 540 A C 0.208 177.847 177.584 0.091 0.000 1.178 540 A CA 0.572 52.679 52.037 0.117 0.000 0.836 540 A CB 0.151 19.264 19.000 0.188 0.000 1.111 540 A HN 0.808 nan 8.150 nan 0.000 0.517 541 Q N -0.490 119.355 119.800 0.075 0.000 3.853 541 Q HA 0.244 4.586 4.340 0.003 0.000 0.220 541 Q C -2.697 173.331 176.000 0.046 0.000 0.826 541 Q CA -1.185 54.652 55.803 0.058 0.000 0.821 541 Q CB 1.038 29.803 28.738 0.046 0.000 1.546 541 Q HN 0.532 nan 8.270 nan 0.000 0.410 542 P HA 0.061 nan 4.420 nan 0.000 0.268 542 P C -2.336 174.987 177.300 0.038 0.000 1.208 542 P CA -0.751 62.375 63.100 0.043 0.000 0.777 542 P CB -0.027 31.704 31.700 0.052 0.000 0.875 543 P HA 0.106 nan 4.420 nan 0.000 0.271 543 P C -0.125 177.197 177.300 0.035 0.000 1.233 543 P CA 0.000 63.117 63.100 0.029 0.000 0.789 543 P CB 0.136 31.850 31.700 0.024 0.000 0.951 583 L N 0.603 121.868 121.223 0.072 0.000 2.347 583 L HA 0.258 4.600 4.340 0.003 0.000 0.249 583 L C 2.369 179.237 176.870 -0.003 0.000 1.260 583 L CA 1.582 56.444 54.840 0.036 0.000 0.815 583 L CB -0.429 41.644 42.059 0.024 0.000 1.096 583 L HN 1.682 nan 8.230 nan 0.000 0.604 584 G N -0.765 107.986 108.800 -0.083 0.000 3.403 584 G HA2 -0.442 3.520 3.960 0.003 0.000 0.226 584 G HA3 -0.442 3.520 3.960 0.003 0.000 0.226 584 G C 1.183 176.023 174.900 -0.101 0.000 1.312 584 G CA 0.981 45.938 45.100 -0.239 0.000 1.060 584 G HN 0.797 nan 8.290 nan 0.000 0.574 585 E N 0.803 121.038 120.200 0.059 0.000 2.153 585 E HA 0.015 4.367 4.350 0.003 0.000 0.194 585 E C 1.649 178.336 176.600 0.144 0.000 0.988 585 E CA 0.183 56.698 56.400 0.193 0.000 0.811 585 E CB -0.158 29.689 29.700 0.243 0.000 0.746 585 E HN 0.634 nan 8.360 nan 0.000 0.466 586 M N 1.668 121.325 119.600 0.095 0.000 2.252 586 M HA -0.043 4.438 4.480 0.003 0.000 0.321 586 M C 0.395 176.750 176.300 0.092 0.000 1.070 586 M CA 0.094 55.445 55.300 0.085 0.000 1.143 586 M CB 0.024 32.661 32.600 0.062 0.000 1.498 586 M HN -0.066 nan 8.290 nan 0.000 0.445 587 N N 0.270 119.023 118.700 0.089 0.000 2.317 587 N HA 0.214 4.956 4.740 0.003 0.000 0.245 587 N C 0.744 176.298 175.510 0.074 0.000 1.294 587 N CA 0.297 53.398 53.050 0.084 0.000 0.924 587 N CB 0.396 38.922 38.487 0.065 0.000 1.186 587 N HN 0.697 nan 8.380 nan 0.000 0.495 588 A N 0.309 123.171 122.820 0.070 0.000 1.832 588 A HA -0.185 4.137 4.320 0.003 0.000 0.214 588 A C 1.714 179.342 177.584 0.072 0.000 1.204 588 A CA 2.082 54.155 52.037 0.061 0.000 0.606 588 A CB -1.235 17.793 19.000 0.046 0.000 0.849 588 A HN 0.932 nan 8.150 nan 0.000 0.445 589 D N -0.921 119.514 120.400 0.060 0.000 2.177 589 D HA -0.336 4.306 4.640 0.003 0.000 0.189 589 D C 1.849 178.210 176.300 0.102 0.000 1.002 589 D CA 2.167 56.210 54.000 0.072 0.000 0.845 589 D CB -0.563 40.266 40.800 0.047 0.000 0.960 589 D HN 0.367 nan 8.370 nan 0.000 0.447 590 Q N -0.940 118.905 119.800 0.075 0.000 2.376 590 Q HA -0.072 4.270 4.340 0.003 0.000 0.211 590 Q C 1.806 177.848 176.000 0.071 0.000 0.986 590 Q CA 0.716 56.558 55.803 0.065 0.000 0.886 590 Q CB -0.263 28.510 28.738 0.058 0.000 0.927 590 Q HN 0.475 nan 8.270 nan 0.000 0.457 591 L N -0.947 120.332 121.223 0.093 0.000 2.071 591 L HA -0.104 4.238 4.340 0.003 0.000 0.201 591 L C 1.922 178.856 176.870 0.107 0.000 1.076 591 L CA 1.672 56.563 54.840 0.084 0.000 0.755 591 L CB -1.503 40.603 42.059 0.078 0.000 0.915 591 L HN 0.581 nan 8.230 nan 0.000 0.445 592 W N 1.359 122.638 121.300 -0.035 0.000 2.318 592 W HA -0.265 4.398 4.660 0.005 0.000 0.313 592 W C 2.095 178.611 176.519 -0.005 0.000 1.221 592 W CA 1.774 59.096 57.345 -0.038 0.000 1.266 592 W CB -0.010 29.430 29.460 -0.034 0.000 1.150 592 W HN 0.268 nan 8.180 nan 0.000 0.496 593 E N -0.129 120.099 120.200 0.047 0.000 2.017 593 E HA -0.201 4.151 4.350 0.003 0.000 0.193 593 E C 2.167 178.696 176.600 -0.119 0.000 0.997 593 E CA 2.810 59.160 56.400 -0.084 0.000 0.804 593 E CB -1.262 28.405 29.700 -0.055 0.000 0.757 593 E HN 0.402 nan 8.360 nan 0.000 0.448 594 T N -2.039 112.477 114.554 -0.063 0.000 2.929 594 T HA -0.055 4.297 4.350 0.003 0.000 0.271 594 T C 1.498 176.168 174.700 -0.050 0.000 1.085 594 T CA 1.787 63.863 62.100 -0.040 0.000 1.125 594 T CB -0.072 68.790 68.868 -0.010 0.000 0.874 594 T HN 0.055 nan 8.240 nan 0.000 0.494 595 T N -0.656 113.838 114.554 -0.100 0.000 3.211 595 T HA 0.365 4.717 4.350 0.003 0.000 0.261 595 T C 1.351 175.960 174.700 -0.151 0.000 0.880 595 T CA -0.342 61.715 62.100 -0.072 0.000 0.903 595 T CB 0.058 68.922 68.868 -0.006 0.000 1.264 595 T HN 0.189 nan 8.240 nan 0.000 0.532 596 M N 1.301 120.685 119.600 -0.359 0.000 2.371 596 M HA 0.305 4.787 4.480 0.003 0.000 0.246 596 M C 0.377 175.951 176.300 -1.210 0.000 1.103 596 M CA 0.138 55.088 55.300 -0.584 0.000 1.010 596 M CB 0.226 32.572 32.600 -0.424 0.000 1.457 596 M HN 0.102 nan 8.290 nan 0.000 0.486 597 N N 2.767 120.673 118.700 -1.322 0.000 2.437 597 N HA 0.153 4.895 4.740 0.003 0.000 0.243 597 N C -1.819 173.415 175.510 -0.461 0.000 1.041 597 N CA -1.627 50.679 53.050 -1.240 0.000 0.940 597 N CB 1.369 39.273 38.487 -0.971 0.000 1.133 597 N HN -0.068 nan 8.380 nan 0.000 0.506 598 P HA -0.160 nan 4.420 nan 0.000 0.231 598 P C 0.079 177.294 177.300 -0.143 0.000 1.154 598 P CA 1.236 64.251 63.100 -0.142 0.000 0.762 598 P CB 0.384 32.051 31.700 -0.055 0.000 0.790 599 E N -1.009 119.073 120.200 -0.196 0.000 2.110 599 E HA -0.055 4.297 4.350 0.003 0.000 0.193 599 E C 1.255 177.627 176.600 -0.381 0.000 0.950 599 E CA 0.620 56.829 56.400 -0.318 0.000 0.840 599 E CB -0.147 29.270 29.700 -0.471 0.000 0.809 599 E HN 0.472 nan 8.360 nan 0.000 0.465 600 H N -0.081 118.926 119.070 -0.104 0.000 2.652 600 H HA 0.137 4.695 4.556 0.003 0.000 0.274 600 H C 0.568 175.838 175.328 -0.096 0.000 1.021 600 H CA -0.280 55.718 56.048 -0.083 0.000 1.187 600 H CB 0.290 30.007 29.762 -0.075 0.000 1.505 600 H HN -0.007 nan 8.280 nan 0.000 0.530 601 R N 1.130 121.602 120.500 -0.046 0.000 2.668 601 R HA 0.660 5.002 4.340 0.003 0.000 0.268 601 R C -0.656 175.625 176.300 -0.031 0.000 1.232 601 R CA -0.365 55.702 56.100 -0.055 0.000 1.166 601 R CB 0.622 30.862 30.300 -0.100 0.000 1.179 601 R HN 0.051 nan 8.270 nan 0.000 0.606 602 A N 1.028 123.837 122.820 -0.018 0.000 2.480 602 A HA 0.445 4.766 4.320 0.003 0.000 0.289 602 A C -1.191 176.396 177.584 0.006 0.000 1.044 602 A CA -0.851 51.182 52.037 -0.006 0.000 0.761 602 A CB 1.281 20.286 19.000 0.009 0.000 1.289 602 A HN 0.538 nan 8.150 nan 0.000 0.401 603 L N 3.728 124.949 121.223 -0.003 0.000 2.372 603 L HA 0.401 4.743 4.340 0.003 0.000 0.273 603 L C -0.344 176.573 176.870 0.078 0.000 0.989 603 L CA -0.593 54.259 54.840 0.020 0.000 0.841 603 L CB 1.611 43.623 42.059 -0.079 0.000 1.225 603 L HN 0.639 nan 8.230 nan 0.000 0.414 604 L N 2.899 124.182 121.223 0.100 0.000 2.525 604 L HA 0.017 4.358 4.340 0.003 0.000 0.278 604 L C 0.513 177.490 176.870 0.178 0.000 1.218 604 L CA 0.535 55.441 54.840 0.110 0.000 0.878 604 L CB 0.892 43.004 42.059 0.088 0.000 1.127 604 L HN 0.692 nan 8.230 nan 0.000 0.492 605 Q N 2.040 121.936 119.800 0.162 0.000 2.261 605 Q HA 0.294 4.636 4.340 0.003 0.000 0.252 605 Q C -1.004 175.021 176.000 0.041 0.000 0.915 605 Q CA -0.619 55.270 55.803 0.143 0.000 0.915 605 Q CB 1.570 30.390 28.738 0.136 0.000 1.204 605 Q HN 0.441 nan 8.270 nan 0.000 0.421 606 V N 5.078 124.972 119.914 -0.032 0.000 2.368 606 V HA 0.267 4.389 4.120 0.003 0.000 0.266 606 V C -0.348 175.735 176.094 -0.018 0.000 1.045 606 V CA -0.271 62.028 62.300 -0.002 0.000 0.899 606 V CB 0.579 32.410 31.823 0.014 0.000 1.006 606 V HN 0.712 nan 8.190 nan 0.000 0.470 607 K N 4.340 124.748 120.400 0.013 0.000 2.203 607 K HA 0.710 5.031 4.320 0.003 0.000 0.251 607 K C -0.996 175.627 176.600 0.038 0.000 0.944 607 K CA -0.954 55.341 56.287 0.012 0.000 0.829 607 K CB 2.343 34.852 32.500 0.016 0.000 1.125 607 K HN 0.439 nan 8.250 nan 0.000 0.430 608 L N 2.640 123.887 121.223 0.040 0.000 2.337 608 L HA 0.258 4.600 4.340 0.003 0.000 0.269 608 L C 0.452 177.351 176.870 0.049 0.000 1.018 608 L CA 0.260 55.144 54.840 0.073 0.000 0.876 608 L CB 0.693 42.817 42.059 0.109 0.000 1.236 608 L HN 0.626 nan 8.230 nan 0.000 0.436 609 E N 1.272 121.497 120.200 0.042 0.000 2.042 609 E HA 0.009 4.361 4.350 0.003 0.000 0.189 609 E C -0.236 176.385 176.600 0.034 0.000 0.974 609 E CA 0.729 57.147 56.400 0.030 0.000 0.806 609 E CB 0.347 30.061 29.700 0.022 0.000 0.769 609 E HN 0.658 nan 8.360 nan 0.000 0.451 610 D N -0.254 120.170 120.400 0.041 0.000 2.460 610 D HA 0.290 4.932 4.640 0.003 0.000 0.232 610 D C 0.228 176.572 176.300 0.074 0.000 1.079 610 D CA -0.260 53.766 54.000 0.043 0.000 0.864 610 D CB 1.204 42.021 40.800 0.029 0.000 1.048 610 D HN -0.042 nan 8.370 nan 0.000 0.523 611 A N 4.601 127.472 122.820 0.084 0.000 2.216 611 A HA -0.055 4.267 4.320 0.003 0.000 0.214 611 A C 1.771 179.435 177.584 0.134 0.000 1.160 611 A CA 0.592 52.713 52.037 0.140 0.000 0.725 611 A CB -0.286 18.763 19.000 0.082 0.000 0.784 611 A HN 0.644 nan 8.150 nan 0.000 0.472 612 I N -0.977 119.640 120.570 0.079 0.000 2.499 612 I HA -0.060 4.112 4.170 0.003 0.000 0.243 612 I C 2.250 178.396 176.117 0.049 0.000 1.085 612 I CA 1.190 62.526 61.300 0.061 0.000 1.422 612 I CB -1.289 36.733 38.000 0.037 0.000 1.165 612 I HN 0.480 nan 8.210 nan 0.000 0.440 613 E N 1.143 121.361 120.200 0.031 0.000 2.401 613 E HA -0.137 4.214 4.350 0.003 0.000 0.199 613 E C 2.027 178.619 176.600 -0.013 0.000 1.023 613 E CA 0.935 57.339 56.400 0.008 0.000 0.859 613 E CB 0.253 29.954 29.700 0.002 0.000 0.780 613 E HN 0.434 nan 8.360 nan 0.000 0.523 614 A N 0.717 123.541 122.820 0.007 0.000 1.943 614 A HA -0.094 4.228 4.320 0.003 0.000 0.213 614 A C 1.813 179.370 177.584 -0.045 0.000 1.181 614 A CA 0.863 52.869 52.037 -0.051 0.000 0.653 614 A CB -0.079 18.914 19.000 -0.011 0.000 0.833 614 A HN 0.195 nan 8.150 nan 0.000 0.451 615 D N -0.158 120.296 120.400 0.090 0.000 2.149 615 D HA -0.187 4.455 4.640 0.003 0.000 0.198 615 D C 2.041 178.385 176.300 0.074 0.000 0.990 615 D CA 1.362 55.452 54.000 0.151 0.000 0.839 615 D CB -0.186 40.721 40.800 0.178 0.000 0.948 615 D HN 0.566 nan 8.370 nan 0.000 0.460 616 Q N -0.056 119.759 119.800 0.024 0.000 2.045 616 Q HA -0.147 4.195 4.340 0.003 0.000 0.206 616 Q C 2.208 178.169 176.000 -0.065 0.000 0.991 616 Q CA 1.931 57.727 55.803 -0.012 0.000 0.851 616 Q CB -0.118 28.607 28.738 -0.022 0.000 0.911 616 Q HN 0.299 nan 8.270 nan 0.000 0.418 617 T N 0.513 114.985 114.554 -0.137 0.000 2.635 617 T HA -0.184 4.168 4.350 0.003 0.000 0.267 617 T C 1.515 176.037 174.700 -0.298 0.000 1.040 617 T CA 1.551 63.480 62.100 -0.286 0.000 1.156 617 T CB -0.599 68.017 68.868 -0.421 0.000 0.863 617 T HN 0.207 nan 8.240 nan 0.000 0.430 618 F N 1.297 121.121 119.950 -0.211 0.000 2.216 618 F HA -0.013 4.517 4.527 0.005 0.000 0.300 618 F C 2.607 178.351 175.800 -0.094 0.000 1.085 618 F CA 1.074 58.976 58.000 -0.162 0.000 1.326 618 F CB -0.223 38.671 39.000 -0.177 0.000 1.027 618 F HN 0.198 nan 8.300 nan 0.000 0.497 619 E N -0.083 120.171 120.200 0.090 0.000 2.427 619 E HA -0.170 4.182 4.350 0.003 0.000 0.196 619 E C 2.031 178.630 176.600 -0.002 0.000 1.028 619 E CA 0.428 56.860 56.400 0.053 0.000 0.864 619 E CB 0.021 29.750 29.700 0.049 0.000 0.813 619 E HN 0.485 nan 8.360 nan 0.000 0.514 620 M N -0.381 119.180 119.600 -0.065 0.000 2.556 620 M HA 0.040 4.522 4.480 0.003 0.000 0.264 620 M C 1.521 177.741 176.300 -0.133 0.000 1.163 620 M CA 0.635 55.874 55.300 -0.102 0.000 1.186 620 M CB 0.307 32.810 32.600 -0.163 0.000 1.321 620 M HN 0.076 nan 8.290 nan 0.000 0.485 621 L N 0.099 121.201 121.223 -0.202 0.000 2.068 621 L HA -0.041 4.301 4.340 0.003 0.000 0.204 621 L C 2.171 179.010 176.870 -0.052 0.000 1.076 621 L CA 0.724 55.450 54.840 -0.190 0.000 0.753 621 L CB -0.646 41.236 42.059 -0.295 0.000 0.910 621 L HN 0.373 nan 8.230 nan 0.000 0.439 622 M N 0.005 119.603 119.600 -0.004 0.000 2.414 622 M HA 0.250 4.732 4.480 0.003 0.000 0.251 622 M C 1.314 177.650 176.300 0.060 0.000 1.116 622 M CA 0.168 55.502 55.300 0.057 0.000 1.056 622 M CB -0.847 31.819 32.600 0.110 0.000 1.388 622 M HN 0.121 nan 8.290 nan 0.000 0.487 623 G N 2.356 111.184 108.800 0.047 0.000 2.680 623 G HA2 0.024 3.986 3.960 0.003 0.000 0.274 623 G HA3 0.024 3.986 3.960 0.003 0.000 0.274 623 G C 0.023 174.946 174.900 0.039 0.000 1.292 623 G CA 0.238 45.366 45.100 0.047 0.000 1.007 623 G HN 0.538 nan 8.290 nan 0.000 0.578 624 D N -2.420 118.002 120.400 0.036 0.000 2.368 624 D HA 0.137 4.779 4.640 0.003 0.000 0.218 624 D C 0.327 176.643 176.300 0.027 0.000 1.112 624 D CA -0.363 53.656 54.000 0.032 0.000 0.834 624 D CB 0.425 41.245 40.800 0.032 0.000 0.953 624 D HN 0.157 nan 8.370 nan 0.000 0.505 625 V N 1.317 121.246 119.914 0.025 0.000 2.383 625 V HA 0.095 4.217 4.120 0.003 0.000 0.275 625 V C 1.297 177.405 176.094 0.023 0.000 1.036 625 V CA -0.595 61.718 62.300 0.022 0.000 0.889 625 V CB 1.715 33.551 31.823 0.021 0.000 0.985 625 V HN 0.032 nan 8.190 nan 0.000 0.459 626 V N 3.262 123.190 119.914 0.024 0.000 2.346 626 V HA -0.087 4.035 4.120 0.003 0.000 0.244 626 V C 2.169 178.281 176.094 0.030 0.000 1.037 626 V CA 1.563 63.878 62.300 0.026 0.000 1.029 626 V CB -0.381 31.456 31.823 0.023 0.000 0.663 626 V HN 0.950 nan 8.190 nan 0.000 0.454 627 E N 1.872 122.089 120.200 0.028 0.000 1.998 627 E HA -0.296 4.056 4.350 0.003 0.000 0.221 627 E C 1.980 178.605 176.600 0.042 0.000 1.018 627 E CA 2.224 58.643 56.400 0.032 0.000 0.891 627 E CB -0.835 28.881 29.700 0.027 0.000 0.807 627 E HN 0.500 nan 8.360 nan 0.000 0.523 628 N N 0.229 118.952 118.700 0.040 0.000 2.202 628 N HA -0.292 4.450 4.740 0.003 0.000 0.197 628 N C 1.963 177.520 175.510 0.079 0.000 0.995 628 N CA 1.590 54.672 53.050 0.052 0.000 0.894 628 N CB -0.367 38.139 38.487 0.033 0.000 1.010 628 N HN 0.202 nan 8.380 nan 0.000 0.453 629 R N 1.314 121.852 120.500 0.063 0.000 2.064 629 R HA -0.023 4.319 4.340 0.003 0.000 0.228 629 R C 2.388 178.765 176.300 0.128 0.000 1.144 629 R CA 1.111 57.264 56.100 0.089 0.000 0.932 629 R CB -0.214 30.116 30.300 0.051 0.000 0.833 629 R HN 0.092 nan 8.270 nan 0.000 0.429 630 R N 0.350 120.899 120.500 0.082 0.000 2.134 630 R HA -0.270 4.072 4.340 0.003 0.000 0.248 630 R C 2.300 178.646 176.300 0.076 0.000 1.143 630 R CA 2.377 58.519 56.100 0.069 0.000 0.957 630 R CB -0.228 30.100 30.300 0.048 0.000 0.867 630 R HN 0.466 nan 8.270 nan 0.000 0.441 631 Q N -0.682 119.168 119.800 0.083 0.000 1.975 631 Q HA -0.231 4.111 4.340 0.003 0.000 0.205 631 Q C 1.985 178.043 176.000 0.096 0.000 0.990 631 Q CA 2.047 57.897 55.803 0.078 0.000 0.845 631 Q CB -0.392 28.392 28.738 0.076 0.000 0.913 631 Q HN 0.369 nan 8.270 nan 0.000 0.420 632 F N 1.507 121.453 119.950 -0.006 0.000 2.141 632 F HA -0.279 4.249 4.527 0.002 0.000 0.300 632 F C 1.802 177.591 175.800 -0.018 0.000 1.079 632 F CA 1.562 59.553 58.000 -0.015 0.000 1.264 632 F CB -0.179 38.806 39.000 -0.024 0.000 1.011 632 F HN 0.042 nan 8.300 nan 0.000 0.487 633 I N -0.141 120.411 120.570 -0.029 0.000 2.394 633 I HA -0.210 3.962 4.170 0.003 0.000 0.251 633 I C 2.195 178.227 176.117 -0.141 0.000 1.136 633 I CA 1.381 62.601 61.300 -0.134 0.000 1.425 633 I CB -0.703 37.303 38.000 0.009 0.000 1.079 633 I HN 0.198 nan 8.210 nan 0.000 0.425 634 E N 0.972 121.137 120.200 -0.057 0.000 2.112 634 E HA -0.151 4.201 4.350 0.003 0.000 0.190 634 E C 1.451 178.021 176.600 -0.050 0.000 0.979 634 E CA 0.861 57.255 56.400 -0.009 0.000 0.814 634 E CB -0.023 29.690 29.700 0.022 0.000 0.762 634 E HN 0.433 nan 8.360 nan 0.000 0.460 635 D N 1.612 121.950 120.400 -0.102 0.000 2.240 635 D HA -0.141 4.501 4.640 0.003 0.000 0.204 635 D C 1.171 177.369 176.300 -0.170 0.000 1.018 635 D CA 1.112 55.040 54.000 -0.121 0.000 0.887 635 D CB -0.367 40.349 40.800 -0.141 0.000 1.087 635 D HN 0.098 nan 8.370 nan 0.000 0.464 636 N N 0.954 119.455 118.700 -0.332 0.000 2.362 636 N HA 0.231 4.973 4.740 0.003 0.000 0.211 636 N C -0.041 175.299 175.510 -0.284 0.000 1.170 636 N CA -0.035 52.831 53.050 -0.307 0.000 0.828 636 N CB 0.060 38.299 38.487 -0.412 0.000 1.034 636 N HN 0.091 nan 8.380 nan 0.000 0.475 637 A N 0.333 123.008 122.820 -0.242 0.000 2.475 637 A HA 0.249 4.571 4.320 0.003 0.000 0.239 637 A C 0.310 177.713 177.584 -0.302 0.000 1.087 637 A CA 0.155 52.008 52.037 -0.308 0.000 0.779 637 A CB 0.485 19.326 19.000 -0.264 0.000 1.036 637 A HN 0.097 nan 8.150 nan 0.000 0.506 638 V N 2.178 121.811 119.914 -0.470 0.000 2.454 638 V HA 0.252 4.373 4.120 0.003 0.000 0.267 638 V C -1.436 174.457 176.094 -0.335 0.000 0.993 638 V CA -0.194 61.933 62.300 -0.289 0.000 0.836 638 V CB -0.112 31.600 31.823 -0.185 0.000 1.055 638 V HN 0.728 nan 8.190 nan 0.000 0.452 639 Y N 2.372 122.652 120.300 -0.033 0.000 2.334 639 Y HA 0.866 5.418 4.550 0.002 0.000 0.328 639 Y C 0.556 176.444 175.900 -0.019 0.000 1.130 639 Y CA -0.024 58.061 58.100 -0.025 0.000 1.163 639 Y CB 2.010 40.455 38.460 -0.025 0.000 1.207 639 Y HN 0.726 nan 8.280 nan 0.000 0.471 1013 N N 1.388 120.092 118.700 0.006 0.000 2.431 1013 N HA 0.084 4.826 4.740 0.003 0.000 0.265 1013 N C 1.006 176.520 175.510 0.006 0.000 1.184 1013 N CA -0.048 53.005 53.050 0.006 0.000 0.943 1013 N CB 0.961 39.452 38.487 0.007 0.000 1.080 1013 N HN 0.664 nan 8.380 nan 0.000 0.477 1014 I N 2.967 123.539 120.570 0.004 0.000 2.202 1014 I HA -0.268 3.904 4.170 0.003 0.000 0.242 1014 I C 1.629 177.748 176.117 0.004 0.000 1.091 1014 I CA 1.185 62.487 61.300 0.003 0.000 1.368 1014 I CB 0.020 38.020 38.000 -0.000 0.000 1.058 1014 I HN 0.499 nan 8.210 nan 0.000 0.410 1015 T N 0.156 114.710 114.554 0.000 0.000 2.708 1015 T HA -0.173 4.179 4.350 0.003 0.000 0.266 1015 T C 2.033 176.737 174.700 0.007 0.000 1.037 1015 T CA 1.774 63.872 62.100 -0.002 0.000 1.146 1015 T CB -0.184 68.680 68.868 -0.006 0.000 0.865 1015 T HN 0.373 nan 8.240 nan 0.000 0.435 1016 S N 0.845 116.551 115.700 0.010 0.000 2.369 1016 S HA -0.227 4.245 4.470 0.003 0.000 0.225 1016 S C 2.072 176.687 174.600 0.026 0.000 1.043 1016 S CA 1.968 60.178 58.200 0.017 0.000 1.074 1016 S CB -0.458 62.750 63.200 0.014 0.000 0.962 1016 S HN 0.750 nan 8.310 nan 0.000 0.433 1017 E N 0.691 120.906 120.200 0.025 0.000 2.049 1017 E HA -0.198 4.154 4.350 0.003 0.000 0.198 1017 E C 2.031 178.662 176.600 0.052 0.000 1.007 1017 E CA 1.430 57.850 56.400 0.034 0.000 0.809 1017 E CB -0.210 29.506 29.700 0.025 0.000 0.749 1017 E HN 0.315 nan 8.360 nan 0.000 0.450 1018 M N -0.156 119.470 119.600 0.043 0.000 2.267 1018 M HA -0.137 4.345 4.480 0.003 0.000 0.263 1018 M C 2.654 179.001 176.300 0.079 0.000 1.063 1018 M CA 2.058 57.392 55.300 0.056 0.000 1.090 1018 M CB -0.824 31.782 32.600 0.010 0.000 1.392 1018 M HN 0.359 nan 8.290 nan 0.000 0.422 1019 R N 0.283 120.818 120.500 0.057 0.000 2.280 1019 R HA 0.062 4.404 4.340 0.003 0.000 0.195 1019 R C 1.637 177.997 176.300 0.099 0.000 0.935 1019 R CA 0.904 57.044 56.100 0.067 0.000 1.033 1019 R CB -0.780 29.538 30.300 0.029 0.000 0.964 1019 R HN 0.566 nan 8.270 nan 0.000 0.489 1020 E N -0.640 119.614 120.200 0.090 0.000 2.110 1020 E HA 0.054 4.406 4.350 0.003 0.000 0.193 1020 E C 2.002 178.664 176.600 0.104 0.000 0.950 1020 E CA 0.975 57.424 56.400 0.082 0.000 0.840 1020 E CB 0.401 30.134 29.700 0.055 0.000 0.809 1020 E HN 0.409 nan 8.360 nan 0.000 0.465 1021 S N 0.456 116.221 115.700 0.109 0.000 2.406 1021 S HA -0.063 4.409 4.470 0.003 0.000 0.228 1021 S C 1.522 176.216 174.600 0.158 0.000 1.020 1021 S CA 0.527 58.789 58.200 0.104 0.000 0.965 1021 S CB -0.099 63.145 63.200 0.073 0.000 0.798 1021 S HN 0.235 nan 8.310 nan 0.000 0.488 1022 F N 1.627 121.615 119.950 0.064 0.000 2.234 1022 F HA 0.057 4.586 4.527 0.003 0.000 0.296 1022 F C 1.769 177.655 175.800 0.144 0.000 1.089 1022 F CA 0.664 58.731 58.000 0.112 0.000 1.343 1022 F CB -0.206 38.841 39.000 0.079 0.000 1.040 1022 F HN 0.141 nan 8.300 nan 0.000 0.498 1023 L N 0.834 122.237 121.223 0.299 0.000 2.027 1023 L HA -0.164 4.178 4.340 0.003 0.000 0.206 1023 L C 1.747 178.653 176.870 0.059 0.000 1.074 1023 L CA 2.037 56.990 54.840 0.189 0.000 0.745 1023 L CB -1.151 41.007 42.059 0.165 0.000 0.898 1023 L HN 0.011 nan 8.230 nan 0.000 0.433 1024 D N -1.677 118.764 120.400 0.068 0.000 2.149 1024 D HA -0.261 4.381 4.640 0.003 0.000 0.198 1024 D C 1.907 178.230 176.300 0.039 0.000 0.990 1024 D CA 1.523 55.550 54.000 0.046 0.000 0.839 1024 D CB -0.276 40.558 40.800 0.057 0.000 0.948 1024 D HN 0.463 nan 8.370 nan 0.000 0.460 1025 Y N 1.425 121.652 120.300 -0.122 0.000 2.049 1025 Y HA -0.209 4.343 4.550 0.003 0.000 0.277 1025 Y C 2.234 178.005 175.900 -0.215 0.000 1.143 1025 Y CA 1.740 59.729 58.100 -0.186 0.000 1.115 1025 Y CB -0.914 37.371 38.460 -0.292 0.000 0.975 1025 Y HN -0.040 nan 8.280 nan 0.000 0.487 1026 A N 0.851 123.379 122.820 -0.486 0.000 1.865 1026 A HA -0.221 4.101 4.320 0.003 0.000 0.217 1026 A C 2.270 179.680 177.584 -0.289 0.000 1.191 1026 A CA 2.107 53.835 52.037 -0.514 0.000 0.623 1026 A CB -0.864 17.929 19.000 -0.346 0.000 0.826 1026 A HN 0.529 nan 8.150 nan 0.000 0.444 1027 M N -0.294 119.213 119.600 -0.154 0.000 3.424 1027 M HA -0.222 4.260 4.480 0.003 0.000 0.284 1027 M C 2.422 178.652 176.300 -0.116 0.000 1.045 1027 M CA 2.059 57.303 55.300 -0.093 0.000 1.057 1027 M CB -1.689 30.886 32.600 -0.041 0.000 1.202 1027 M HN 0.558 nan 8.290 nan 0.000 0.584 1028 S N 0.004 115.646 115.700 -0.097 0.000 2.429 1028 S HA -0.216 4.256 4.470 0.003 0.000 0.263 1028 S C 1.936 176.467 174.600 -0.114 0.000 1.084 1028 S CA 2.988 61.142 58.200 -0.077 0.000 1.284 1028 S CB -0.764 62.413 63.200 -0.037 0.000 1.192 1028 S HN 0.323 nan 8.310 nan 0.000 0.436 1029 V N 2.065 121.852 119.914 -0.211 0.000 2.428 1029 V HA -0.248 3.874 4.120 0.003 0.000 0.255 1029 V C 2.198 178.198 176.094 -0.156 0.000 1.080 1029 V CA 2.327 64.495 62.300 -0.221 0.000 1.083 1029 V CB -0.836 30.751 31.823 -0.393 0.000 0.665 1029 V HN 0.570 nan 8.190 nan 0.000 0.461 1030 I N 0.118 120.599 120.570 -0.148 0.000 2.406 1030 I HA -0.097 4.075 4.170 0.003 0.000 0.249 1030 I C 2.103 178.181 176.117 -0.065 0.000 1.122 1030 I CA 1.487 62.727 61.300 -0.101 0.000 1.431 1030 I CB -0.169 37.778 38.000 -0.088 0.000 1.087 1030 I HN 0.406 nan 8.210 nan 0.000 0.424 1031 V N -2.229 117.650 119.914 -0.058 0.000 3.660 1031 V HA 0.473 4.595 4.120 0.003 0.000 0.276 1031 V C 0.959 177.041 176.094 -0.019 0.000 1.317 1031 V CA 0.525 62.804 62.300 -0.035 0.000 1.097 1031 V CB 0.179 31.985 31.823 -0.029 0.000 0.863 1031 V HN 0.256 nan 8.190 nan 0.000 0.438 1032 A N -0.056 122.752 122.820 -0.019 0.000 3.214 1032 A HA 0.717 5.039 4.320 0.003 0.000 0.203 1032 A C 0.638 178.231 177.584 0.015 0.000 0.960 1032 A CA 0.279 52.324 52.037 0.013 0.000 1.113 1032 A CB 0.318 19.334 19.000 0.027 0.000 1.280 1032 A HN 0.394 nan 8.150 nan 0.000 0.573 1033 R N -1.446 119.050 120.500 -0.006 0.000 4.886 1033 R HA 0.320 4.662 4.340 0.003 0.000 0.061 1033 R C 0.950 177.244 176.300 -0.010 0.000 0.723 1033 R CA 0.965 57.058 56.100 -0.012 0.000 1.620 1033 R CB -0.449 29.811 30.300 -0.068 0.000 1.411 1033 R HN 0.592 nan 8.270 nan 0.000 0.410 1034 A N 1.365 124.166 122.820 -0.031 0.000 2.470 1034 A HA 0.467 4.789 4.320 0.003 0.000 0.251 1034 A C -0.066 177.517 177.584 -0.001 0.000 1.245 1034 A CA -0.237 51.791 52.037 -0.016 0.000 0.932 1034 A CB 0.381 19.357 19.000 -0.040 0.000 1.037 1034 A HN 0.127 nan 8.150 nan 0.000 0.522 1035 L N 0.488 121.709 121.223 -0.004 0.000 2.370 1035 L HA 0.471 4.813 4.340 0.003 0.000 0.266 1035 L C -2.907 173.965 176.870 0.003 0.000 1.002 1035 L CA -2.368 52.470 54.840 -0.004 0.000 0.818 1035 L CB 2.906 44.952 42.059 -0.023 0.000 1.325 1035 L HN -0.061 nan 8.230 nan 0.000 0.418 1036 P HA 0.175 nan 4.420 nan 0.000 0.297 1036 P C -1.227 176.049 177.300 -0.040 0.000 1.319 1036 P CA -0.550 62.542 63.100 -0.013 0.000 0.810 1036 P CB 0.924 32.613 31.700 -0.019 0.000 0.947 1037 D N 2.322 122.693 120.400 -0.048 0.000 2.488 1037 D HA -0.088 4.554 4.640 0.003 0.000 0.238 1037 D C 1.425 177.671 176.300 -0.090 0.000 1.138 1037 D CA 0.188 54.146 54.000 -0.070 0.000 0.873 1037 D CB 1.221 41.977 40.800 -0.072 0.000 1.183 1037 D HN 0.074 nan 8.370 nan 0.000 0.458 1038 V N 5.825 125.679 119.914 -0.100 0.000 2.380 1038 V HA -0.302 3.820 4.120 0.003 0.000 0.251 1038 V C 2.108 178.142 176.094 -0.101 0.000 1.063 1038 V CA 2.082 64.323 62.300 -0.098 0.000 1.055 1038 V CB -0.158 31.597 31.823 -0.112 0.000 0.657 1038 V HN 0.576 nan 8.190 nan 0.000 0.455 1039 R N 1.376 121.786 120.500 -0.150 0.000 2.078 1039 R HA -0.091 4.251 4.340 0.003 0.000 0.224 1039 R C 1.841 177.953 176.300 -0.313 0.000 1.149 1039 R CA 1.796 57.706 56.100 -0.315 0.000 0.916 1039 R CB -0.903 29.131 30.300 -0.443 0.000 0.821 1039 R HN 0.739 nan 8.270 nan 0.000 0.434 1040 D N -0.008 120.239 120.400 -0.255 0.000 2.336 1040 D HA 0.065 4.707 4.640 0.003 0.000 0.228 1040 D C 0.827 177.027 176.300 -0.167 0.000 1.120 1040 D CA 0.345 54.224 54.000 -0.202 0.000 0.839 1040 D CB -0.012 40.700 40.800 -0.146 0.000 0.932 1040 D HN 0.439 nan 8.370 nan 0.000 0.509 1041 G N 0.524 109.234 108.800 -0.151 0.000 2.402 1041 G HA2 -0.296 3.666 3.960 0.003 0.000 0.300 1041 G HA3 -0.296 3.666 3.960 0.003 0.000 0.300 1041 G C -0.001 174.844 174.900 -0.091 0.000 0.987 1041 G CA 0.805 45.831 45.100 -0.124 0.000 0.881 1041 G HN 0.463 nan 8.290 nan 0.000 0.512 1042 L N -1.771 119.412 121.223 -0.067 0.000 2.286 1042 L HA 0.666 5.008 4.340 0.003 0.000 0.265 1042 L C 0.710 177.599 176.870 0.032 0.000 1.012 1042 L CA -1.176 53.654 54.840 -0.015 0.000 0.818 1042 L CB 1.583 43.640 42.059 -0.003 0.000 1.337 1042 L HN 0.079 nan 8.230 nan 0.000 0.438 1043 K N 0.587 121.065 120.400 0.130 0.000 2.288 1043 K HA 0.406 4.728 4.320 0.003 0.000 0.234 1043 K C -1.985 174.667 176.600 0.086 0.000 1.037 1043 K CA -1.581 54.780 56.287 0.124 0.000 0.914 1043 K CB 0.983 33.612 32.500 0.215 0.000 1.197 1043 K HN 0.150 nan 8.250 nan 0.000 0.471 1044 P HA -0.208 nan 4.420 nan 0.000 0.205 1044 P C 1.434 178.726 177.300 -0.013 0.000 1.193 1044 P CA 0.756 63.891 63.100 0.057 0.000 0.929 1044 P CB 0.045 31.826 31.700 0.133 0.000 0.772 1045 V N -0.929 118.915 119.914 -0.117 0.000 2.511 1045 V HA -0.336 3.785 4.120 0.003 0.000 0.257 1045 V C 2.091 177.998 176.094 -0.312 0.000 1.088 1045 V CA 2.210 64.245 62.300 -0.443 0.000 1.098 1045 V CB -1.154 30.273 31.823 -0.660 0.000 0.674 1045 V HN 0.193 nan 8.190 nan 0.000 0.470 1046 H N -0.578 118.444 119.070 -0.081 0.000 2.307 1046 H HA -0.072 4.486 4.556 0.003 0.000 0.303 1046 H C 2.481 177.776 175.328 -0.054 0.000 1.073 1046 H CA 1.771 57.790 56.048 -0.047 0.000 1.338 1046 H CB -0.146 29.619 29.762 0.004 0.000 1.389 1046 H HN 0.304 nan 8.280 nan 0.000 0.503 1047 R N 1.140 121.684 120.500 0.073 0.000 2.117 1047 R HA -0.146 4.196 4.340 0.003 0.000 0.243 1047 R C 1.534 177.804 176.300 -0.050 0.000 1.143 1047 R CA 1.643 57.740 56.100 -0.004 0.000 0.968 1047 R CB 0.040 30.316 30.300 -0.040 0.000 0.863 1047 R HN 0.227 nan 8.270 nan 0.000 0.444 1048 R N -0.399 120.049 120.500 -0.087 0.000 2.310 1048 R HA 0.191 4.533 4.340 0.003 0.000 0.202 1048 R C 1.749 177.953 176.300 -0.159 0.000 0.933 1048 R CA 0.238 56.236 56.100 -0.170 0.000 1.054 1048 R CB 0.288 30.526 30.300 -0.103 0.000 0.985 1048 R HN 0.307 nan 8.270 nan 0.000 0.489 1049 I N 0.069 120.582 120.570 -0.094 0.000 2.703 1049 I HA -0.131 4.041 4.170 0.003 0.000 0.259 1049 I C 1.667 177.763 176.117 -0.034 0.000 1.151 1049 I CA 0.919 62.184 61.300 -0.057 0.000 1.470 1049 I CB 0.004 37.981 38.000 -0.038 0.000 1.112 1049 I HN 0.164 nan 8.210 nan 0.000 0.437 1050 L N -0.326 120.888 121.223 -0.015 0.000 2.049 1050 L HA -0.205 4.137 4.340 0.003 0.000 0.203 1050 L C 2.712 179.586 176.870 0.007 0.000 1.074 1050 L CA 1.521 56.364 54.840 0.005 0.000 0.749 1050 L CB -1.069 41.007 42.059 0.027 0.000 0.907 1050 L HN 0.187 nan 8.230 nan 0.000 0.439 1051 Y N 1.534 121.746 120.300 -0.147 0.000 2.333 1051 Y HA -0.135 4.417 4.550 0.003 0.000 0.290 1051 Y C 2.279 178.064 175.900 -0.192 0.000 1.144 1051 Y CA 1.289 59.291 58.100 -0.164 0.000 1.228 1051 Y CB -0.414 37.904 38.460 -0.238 0.000 0.985 1051 Y HN 0.083 nan 8.280 nan 0.000 0.542 1052 G N 0.179 108.842 108.800 -0.228 0.000 2.443 1052 G HA2 -0.186 3.776 3.960 0.003 0.000 0.219 1052 G HA3 -0.186 3.776 3.960 0.003 0.000 0.219 1052 G C 1.575 176.440 174.900 -0.059 0.000 1.131 1052 G CA 1.045 46.058 45.100 -0.146 0.000 0.775 1052 G HN 0.447 nan 8.290 nan 0.000 0.547 1053 L N 0.021 121.209 121.223 -0.059 0.000 1.982 1053 L HA -0.041 4.301 4.340 0.003 0.000 0.206 1053 L C 2.621 179.462 176.870 -0.048 0.000 1.078 1053 L CA 1.061 55.884 54.840 -0.029 0.000 0.749 1053 L CB -0.699 41.352 42.059 -0.013 0.000 0.894 1053 L HN 0.223 nan 8.230 nan 0.000 0.436 1054 N N 0.212 118.874 118.700 -0.063 0.000 2.242 1054 N HA -0.231 4.511 4.740 0.003 0.000 0.193 1054 N C 0.613 176.059 175.510 -0.106 0.000 1.000 1054 N CA 1.241 54.251 53.050 -0.067 0.000 0.885 1054 N CB 0.176 38.631 38.487 -0.054 0.000 0.988 1054 N HN 0.377 nan 8.380 nan 0.000 0.444 1055 E N -0.218 119.882 120.200 -0.166 0.000 2.496 1055 E HA 0.112 4.464 4.350 0.003 0.000 0.202 1055 E C 0.069 176.636 176.600 -0.054 0.000 1.021 1055 E CA 0.054 56.361 56.400 -0.155 0.000 1.015 1055 E CB 0.939 30.464 29.700 -0.291 0.000 1.102 1055 E HN 0.364 nan 8.360 nan 0.000 0.452 1056 Q N -0.832 118.951 119.800 -0.028 0.000 1.985 1056 Q HA 0.127 4.469 4.340 0.003 0.000 0.199 1056 Q C 0.634 176.640 176.000 0.009 0.000 0.776 1056 Q CA 0.265 56.068 55.803 0.001 0.000 0.988 1056 Q CB 1.413 30.162 28.738 0.017 0.000 1.224 1056 Q HN 0.417 nan 8.270 nan 0.000 0.432 1057 G N 2.169 110.971 108.800 0.004 0.000 2.225 1057 G HA2 -0.267 3.695 3.960 0.003 0.000 0.267 1057 G HA3 -0.267 3.695 3.960 0.003 0.000 0.267 1057 G C 0.521 175.439 174.900 0.030 0.000 1.024 1057 G CA 0.490 45.599 45.100 0.016 0.000 0.784 1057 G HN 0.254 nan 8.290 nan 0.000 0.507 1058 M N 2.241 121.858 119.600 0.028 0.000 3.663 1058 M HA 0.145 4.627 4.480 0.003 0.000 0.198 1058 M C 1.243 177.570 176.300 0.045 0.000 1.365 1058 M CA 0.905 56.230 55.300 0.043 0.000 1.595 1058 M CB -1.227 31.393 32.600 0.034 0.000 1.120 1058 M HN 0.457 nan 8.290 nan 0.000 0.522 1059 T N -2.269 112.316 114.554 0.052 0.000 2.852 1059 T HA 0.431 4.783 4.350 0.003 0.000 0.281 1059 T C -2.010 172.736 174.700 0.076 0.000 0.993 1059 T CA -1.401 60.731 62.100 0.053 0.000 0.933 1059 T CB 0.938 69.833 68.868 0.045 0.000 1.187 1059 T HN 0.037 nan 8.240 nan 0.000 0.559 1060 P HA -0.024 nan 4.420 nan 0.000 0.213 1060 P C 1.490 178.844 177.300 0.089 0.000 1.169 1060 P CA 1.071 64.228 63.100 0.094 0.000 0.885 1060 P CB -0.195 31.555 31.700 0.083 0.000 0.779 1061 D N 0.154 120.593 120.400 0.065 0.000 2.203 1061 D HA -0.166 4.476 4.640 0.003 0.000 0.199 1061 D C 0.976 177.302 176.300 0.044 0.000 0.997 1061 D CA 1.797 55.826 54.000 0.048 0.000 0.863 1061 D CB -0.831 39.993 40.800 0.039 0.000 0.928 1061 D HN 0.187 nan 8.370 nan 0.000 0.458 1062 K N 0.871 121.305 120.400 0.056 0.000 2.836 1062 K HA 0.492 4.814 4.320 0.003 0.000 0.300 1062 K C 0.918 177.556 176.600 0.064 0.000 1.004 1062 K CA 0.079 56.396 56.287 0.050 0.000 1.140 1062 K CB -0.372 32.159 32.500 0.051 0.000 1.458 1062 K HN 0.379 nan 8.250 nan 0.000 0.550 1063 S N -1.351 114.387 115.700 0.064 0.000 2.738 1063 S HA 0.620 5.092 4.470 0.003 0.000 0.284 1063 S C -0.359 174.384 174.600 0.237 0.000 1.146 1063 S CA -0.681 57.554 58.200 0.059 0.000 0.997 1063 S CB 0.304 63.510 63.200 0.010 0.000 1.081 1063 S HN 0.393 nan 8.310 nan 0.000 0.553 1064 Y N 1.259 121.579 120.300 0.033 0.000 2.319 1064 Y HA 0.455 5.007 4.550 0.003 0.000 0.328 1064 Y C 0.657 176.584 175.900 0.044 0.000 1.133 1064 Y CA -1.169 56.958 58.100 0.044 0.000 1.265 1064 Y CB 0.449 38.941 38.460 0.054 0.000 1.218 1064 Y HN 0.503 nan 8.280 nan 0.000 0.508 1065 K N 1.806 122.319 120.400 0.189 0.000 2.207 1065 K HA 0.546 4.868 4.320 0.003 0.000 0.255 1065 K C 0.222 176.880 176.600 0.098 0.000 0.941 1065 K CA -1.005 55.352 56.287 0.117 0.000 0.825 1065 K CB 1.029 33.577 32.500 0.080 0.000 1.119 1065 K HN 0.612 nan 8.250 nan 0.000 0.430 1066 K N 0.846 121.292 120.400 0.077 0.000 2.285 1066 K HA 0.044 4.366 4.320 0.003 0.000 0.255 1066 K C 1.150 177.768 176.600 0.030 0.000 1.000 1066 K CA 0.602 56.923 56.287 0.056 0.000 0.887 1066 K CB -0.397 32.117 32.500 0.023 0.000 0.997 1066 K HN 0.637 nan 8.250 nan 0.000 0.510 1067 S N 0.655 116.357 115.700 0.003 0.000 2.336 1067 S HA -0.023 4.449 4.470 0.003 0.000 0.214 1067 S C 2.462 177.033 174.600 -0.048 0.000 1.032 1067 S CA 1.201 59.385 58.200 -0.026 0.000 1.001 1067 S CB -0.770 62.362 63.200 -0.114 0.000 0.953 1067 S HN 1.101 nan 8.310 nan 0.000 0.430 1068 A N 2.292 125.057 122.820 -0.092 0.000 1.929 1068 A HA -0.270 4.052 4.320 0.003 0.000 0.221 1068 A C 2.402 179.972 177.584 -0.023 0.000 1.211 1068 A CA 3.172 55.166 52.037 -0.073 0.000 0.657 1068 A CB -1.606 17.341 19.000 -0.089 0.000 0.827 1068 A HN 0.602 nan 8.150 nan 0.000 0.462 1069 R N -0.192 120.300 120.500 -0.013 0.000 2.133 1069 R HA -0.128 4.214 4.340 0.003 0.000 0.247 1069 R C 2.002 178.318 176.300 0.027 0.000 1.151 1069 R CA 2.089 58.194 56.100 0.009 0.000 0.971 1069 R CB -1.443 28.866 30.300 0.014 0.000 0.866 1069 R HN 0.763 nan 8.270 nan 0.000 0.447 1070 I N -0.450 120.137 120.570 0.029 0.000 2.480 1070 I HA -0.101 4.071 4.170 0.003 0.000 0.251 1070 I C 2.220 178.373 176.117 0.061 0.000 1.124 1070 I CA 0.799 62.126 61.300 0.046 0.000 1.444 1070 I CB -0.238 37.789 38.000 0.044 0.000 1.098 1070 I HN 0.134 nan 8.210 nan 0.000 0.428 1071 V N 1.383 121.327 119.914 0.049 0.000 2.256 1071 V HA -0.106 4.015 4.120 0.003 0.000 0.240 1071 V C 2.716 178.860 176.094 0.083 0.000 1.036 1071 V CA 2.147 64.487 62.300 0.068 0.000 1.008 1071 V CB -1.363 30.491 31.823 0.052 0.000 0.648 1071 V HN 0.510 nan 8.190 nan 0.000 0.453 1072 G N -0.453 108.379 108.800 0.054 0.000 2.626 1072 G HA2 -0.391 3.571 3.960 0.003 0.000 0.224 1072 G HA3 -0.391 3.571 3.960 0.003 0.000 0.224 1072 G C 1.405 176.350 174.900 0.076 0.000 1.095 1072 G CA 1.344 46.477 45.100 0.055 0.000 0.738 1072 G HN 0.569 nan 8.290 nan 0.000 0.600 1073 D N -0.107 120.347 120.400 0.089 0.000 2.103 1073 D HA -0.059 4.583 4.640 0.003 0.000 0.199 1073 D C 2.507 178.935 176.300 0.213 0.000 0.978 1073 D CA 0.966 55.036 54.000 0.117 0.000 0.829 1073 D CB 0.131 40.998 40.800 0.112 0.000 0.981 1073 D HN 0.238 nan 8.370 nan 0.000 0.464 1074 V N 1.311 121.371 119.914 0.244 0.000 3.129 1074 V HA -0.041 4.081 4.120 0.003 0.000 0.259 1074 V C 2.228 178.527 176.094 0.342 0.000 1.116 1074 V CA 0.608 63.137 62.300 0.383 0.000 1.127 1074 V CB -0.107 31.849 31.823 0.221 0.000 0.742 1074 V HN 0.250 nan 8.190 nan 0.000 0.474 1075 M N 0.050 119.786 119.600 0.227 0.000 2.510 1075 M HA 0.156 4.638 4.480 0.003 0.000 0.256 1075 M C 1.607 178.007 176.300 0.168 0.000 1.132 1075 M CA 1.217 56.636 55.300 0.200 0.000 1.105 1075 M CB 0.259 32.944 32.600 0.141 0.000 1.375 1075 M HN 0.355 nan 8.290 nan 0.000 0.477 1076 G N -0.219 108.667 108.800 0.143 0.000 2.748 1076 G HA2 0.086 4.048 3.960 0.003 0.000 0.204 1076 G HA3 0.086 4.048 3.960 0.003 0.000 0.204 1076 G C 1.212 176.135 174.900 0.038 0.000 1.095 1076 G CA -0.182 44.984 45.100 0.111 0.000 0.775 1076 G HN 0.303 nan 8.290 nan 0.000 0.531 1077 K N -0.629 119.752 120.400 -0.032 0.000 2.372 1077 K HA 0.319 4.641 4.320 0.003 0.000 0.200 1077 K C -0.002 176.211 176.600 -0.645 0.000 1.022 1077 K CA 0.050 56.116 56.287 -0.368 0.000 1.125 1077 K CB 0.468 32.679 32.500 -0.482 0.000 0.855 1077 K HN 0.440 nan 8.250 nan 0.000 0.524 1078 Y N -2.640 117.779 120.300 0.199 0.000 2.594 1078 Y HA 0.089 4.641 4.550 0.003 0.000 0.282 1078 Y C -0.067 176.043 175.900 0.350 0.000 1.081 1078 Y CA -0.525 57.723 58.100 0.246 0.000 1.025 1078 Y CB 0.527 39.120 38.460 0.222 0.000 1.381 1078 Y HN -0.012 nan 8.280 nan 0.000 0.550 1079 H N 3.025 122.286 119.070 0.319 0.000 2.854 1079 H HA 0.418 4.976 4.556 0.003 0.000 0.275 1079 H C -2.905 172.348 175.328 -0.125 0.000 1.198 1079 H CA -2.614 53.496 56.048 0.105 0.000 1.489 1079 H CB 1.651 31.503 29.762 0.151 0.000 1.519 1079 H HN -0.192 nan 8.280 nan 0.000 0.503 1080 P HA 0.179 nan 4.420 nan 0.000 0.231 1080 P C -0.653 176.084 177.300 -0.938 0.000 1.811 1080 P CA 0.207 62.854 63.100 -0.755 0.000 1.051 1080 P CB 0.233 31.226 31.700 -1.178 0.000 1.951 1081 H N -0.130 118.795 119.070 -0.242 0.000 3.476 1081 H HA 0.581 5.138 4.556 0.003 0.000 0.317 1081 H C 0.403 175.723 175.328 -0.014 0.000 1.674 1081 H CA -0.688 55.273 56.048 -0.145 0.000 1.247 1081 H CB 0.634 30.290 29.762 -0.178 0.000 1.740 1081 H HN 0.165 nan 8.280 nan 0.000 0.667 1082 G N -0.053 108.853 108.800 0.176 0.000 2.367 1082 G HA2 0.218 4.180 3.960 0.003 0.000 0.314 1082 G HA3 0.218 4.180 3.960 0.003 0.000 0.314 1082 G C 0.394 175.369 174.900 0.125 0.000 1.130 1082 G CA -0.106 45.059 45.100 0.109 0.000 0.864 1082 G HN 0.653 nan 8.290 nan 0.000 0.486 1083 D N 0.565 121.022 120.400 0.094 0.000 2.203 1083 D HA -0.268 4.374 4.640 0.003 0.000 0.199 1083 D C 2.234 178.610 176.300 0.127 0.000 0.997 1083 D CA 2.166 56.223 54.000 0.095 0.000 0.863 1083 D CB -0.137 40.690 40.800 0.044 0.000 0.928 1083 D HN 0.376 nan 8.370 nan 0.000 0.458 1084 S N -0.993 114.777 115.700 0.117 0.000 2.387 1084 S HA -0.073 4.398 4.470 0.003 0.000 0.226 1084 S C 2.065 176.727 174.600 0.103 0.000 1.026 1084 S CA 0.906 59.190 58.200 0.139 0.000 0.972 1084 S CB -0.641 62.620 63.200 0.101 0.000 0.814 1084 S HN 0.188 nan 8.310 nan 0.000 0.477 1085 S N 0.962 116.715 115.700 0.088 0.000 2.555 1085 S HA 0.264 4.736 4.470 0.003 0.000 0.230 1085 S C 1.481 176.111 174.600 0.051 0.000 0.978 1085 S CA 0.660 58.897 58.200 0.060 0.000 0.934 1085 S CB -0.490 62.749 63.200 0.066 0.000 0.766 1085 S HN 0.621 nan 8.310 nan 0.000 0.533 1086 I N -1.139 119.485 120.570 0.090 0.000 2.681 1086 I HA 0.029 4.201 4.170 0.003 0.000 0.247 1086 I C 2.049 178.201 176.117 0.058 0.000 1.091 1086 I CA 0.488 61.810 61.300 0.037 0.000 1.442 1086 I CB -1.039 37.012 38.000 0.084 0.000 1.219 1086 I HN 0.163 nan 8.210 nan 0.000 0.451 1087 Y N 2.628 122.909 120.300 -0.032 0.000 2.132 1087 Y HA -0.333 4.219 4.550 0.003 0.000 0.280 1087 Y C 2.319 178.175 175.900 -0.075 0.000 1.193 1087 Y CA 1.999 60.064 58.100 -0.058 0.000 1.157 1087 Y CB -0.558 37.872 38.460 -0.050 0.000 0.966 1087 Y HN 0.257 nan 8.280 nan 0.000 0.511 1088 E N -0.636 119.475 120.200 -0.148 0.000 2.112 1088 E HA -0.035 4.317 4.350 0.003 0.000 0.190 1088 E C 2.328 178.840 176.600 -0.147 0.000 0.979 1088 E CA 0.784 57.036 56.400 -0.247 0.000 0.814 1088 E CB -0.345 29.282 29.700 -0.122 0.000 0.762 1088 E HN 0.499 nan 8.360 nan 0.000 0.460 1089 A N 0.836 123.600 122.820 -0.093 0.000 2.125 1089 A HA -0.165 4.157 4.320 0.003 0.000 0.219 1089 A C 2.016 179.598 177.584 -0.004 0.000 1.156 1089 A CA 1.083 53.092 52.037 -0.046 0.000 0.671 1089 A CB -0.362 18.472 19.000 -0.277 0.000 0.794 1089 A HN 0.239 nan 8.150 nan 0.000 0.459 1090 M N -0.660 118.888 119.600 -0.087 0.000 2.276 1090 M HA -0.055 4.427 4.480 0.003 0.000 0.262 1090 M C 1.922 178.151 176.300 -0.118 0.000 1.098 1090 M CA 1.409 56.663 55.300 -0.077 0.000 1.167 1090 M CB -0.104 32.470 32.600 -0.043 0.000 1.337 1090 M HN 0.213 nan 8.290 nan 0.000 0.446 1091 V N 1.123 120.875 119.914 -0.270 0.000 2.250 1091 V HA -0.361 3.761 4.120 0.003 0.000 0.250 1091 V C 2.270 178.321 176.094 -0.071 0.000 1.060 1091 V CA 2.202 64.349 62.300 -0.255 0.000 1.030 1091 V CB -1.229 30.328 31.823 -0.444 0.000 0.643 1091 V HN 0.512 nan 8.190 nan 0.000 0.445 1092 R N -0.804 119.660 120.500 -0.060 0.000 2.139 1092 R HA -0.138 4.204 4.340 0.003 0.000 0.243 1092 R C 2.145 178.386 176.300 -0.099 0.000 1.145 1092 R CA 1.712 57.832 56.100 0.033 0.000 0.976 1092 R CB -0.331 30.061 30.300 0.153 0.000 0.866 1092 R HN 0.491 nan 8.270 nan 0.000 0.449 1093 M N -1.126 118.294 119.600 -0.301 0.000 2.556 1093 M HA 0.061 4.543 4.480 0.003 0.000 0.245 1093 M C 1.654 177.614 176.300 -0.566 0.000 1.128 1093 M CA 0.368 55.166 55.300 -0.836 0.000 1.069 1093 M CB 0.607 32.904 32.600 -0.504 0.000 1.469 1093 M HN 0.144 nan 8.290 nan 0.000 0.494 1094 A N -0.540 122.137 122.820 -0.238 0.000 2.197 1094 A HA 0.136 4.458 4.320 0.003 0.000 0.210 1094 A C 0.643 178.108 177.584 -0.198 0.000 1.180 1094 A CA -0.100 51.856 52.037 -0.134 0.000 0.846 1094 A CB 0.161 19.234 19.000 0.122 0.000 0.884 1094 A HN 0.398 nan 8.150 nan 0.000 0.487 1095 Q N 1.116 120.760 119.800 -0.261 0.000 2.295 1095 Q HA 0.268 4.610 4.340 0.003 0.000 0.259 1095 Q C -0.457 175.218 176.000 -0.542 0.000 0.976 1095 Q CA -0.122 55.340 55.803 -0.568 0.000 0.923 1095 Q CB 0.866 29.044 28.738 -0.935 0.000 1.185 1095 Q HN 0.477 nan 8.270 nan 0.000 0.410 1096 D N 1.781 121.920 120.400 -0.436 0.000 2.348 1096 D HA -0.135 4.507 4.640 0.003 0.000 0.216 1096 D C 0.757 177.022 176.300 -0.058 0.000 0.970 1096 D CA 0.671 54.579 54.000 -0.153 0.000 0.889 1096 D CB -0.181 40.598 40.800 -0.035 0.000 0.912 1096 D HN 0.625 nan 8.370 nan 0.000 0.524 1097 F N -0.715 119.291 119.950 0.094 0.000 2.656 1097 F HA 0.398 4.926 4.527 0.003 0.000 0.291 1097 F C 1.888 177.804 175.800 0.192 0.000 1.122 1097 F CA -0.268 57.797 58.000 0.110 0.000 1.427 1097 F CB -0.399 38.648 39.000 0.079 0.000 1.125 1097 F HN -0.177 nan 8.300 nan 0.000 0.583 1098 S N -1.387 114.295 115.700 -0.030 0.000 2.439 1098 S HA 0.070 4.542 4.470 0.003 0.000 0.224 1098 S C -0.378 174.365 174.600 0.239 0.000 1.029 1098 S CA 0.340 58.662 58.200 0.202 0.000 0.946 1098 S CB -0.307 62.961 63.200 0.114 0.000 0.797 1098 S HN 0.240 nan 8.310 nan 0.000 0.504 1099 Y N 1.247 121.513 120.300 -0.055 0.000 2.335 1099 Y HA 0.490 5.042 4.550 0.003 0.000 0.338 1099 Y C 0.970 176.808 175.900 -0.104 0.000 0.977 1099 Y CA -1.539 56.537 58.100 -0.041 0.000 1.114 1099 Y CB 1.125 39.557 38.460 -0.046 0.000 1.182 1099 Y HN -0.149 nan 8.280 nan 0.000 0.463 1100 R N 1.963 122.391 120.500 -0.121 0.000 2.091 1100 R HA -0.106 4.236 4.340 0.003 0.000 0.238 1100 R C -0.903 175.037 176.300 -0.600 0.000 1.136 1100 R CA 1.839 57.703 56.100 -0.394 0.000 0.959 1100 R CB -0.169 29.851 30.300 -0.467 0.000 0.856 1100 R HN 0.648 nan 8.270 nan 0.000 0.437 1101 Y N -0.317 120.026 120.300 0.072 0.000 2.609 1101 Y HA 0.397 4.949 4.550 0.003 0.000 0.350 1101 Y C -2.257 173.706 175.900 0.104 0.000 1.050 1101 Y CA -3.452 54.672 58.100 0.040 0.000 1.290 1101 Y CB 1.195 39.628 38.460 -0.046 0.000 1.094 1101 Y HN 0.014 nan 8.280 nan 0.000 0.583 1102 P HA -0.046 nan 4.420 nan 0.000 0.266 1102 P C 0.268 177.572 177.300 0.006 0.000 1.180 1102 P CA 0.605 63.733 63.100 0.047 0.000 0.765 1102 P CB 0.900 32.577 31.700 -0.039 0.000 0.806 1103 L N 1.432 122.580 121.223 -0.125 0.000 2.808 1103 L HA 0.220 4.562 4.340 0.003 0.000 0.246 1103 L C -0.022 176.791 176.870 -0.095 0.000 1.153 1103 L CA 0.039 54.840 54.840 -0.065 0.000 0.956 1103 L CB 0.396 42.445 42.059 -0.018 0.000 1.270 1103 L HN 0.051 nan 8.230 nan 0.000 0.528 1104 V N -0.135 119.698 119.914 -0.136 0.000 2.439 1104 V HA 0.171 4.293 4.120 0.003 0.000 0.277 1104 V C -0.685 175.338 176.094 -0.118 0.000 1.008 1104 V CA -0.716 61.522 62.300 -0.102 0.000 0.846 1104 V CB 1.571 33.344 31.823 -0.084 0.000 1.031 1104 V HN 0.045 nan 8.190 nan 0.000 0.441 1105 D N 3.898 124.226 120.400 -0.121 0.000 2.383 1105 D HA 0.254 4.896 4.640 0.003 0.000 0.275 1105 D C 0.563 176.675 176.300 -0.314 0.000 1.344 1105 D CA 0.877 54.772 54.000 -0.175 0.000 0.984 1105 D CB 1.131 41.864 40.800 -0.111 0.000 1.104 1105 D HN 0.645 nan 8.370 nan 0.000 0.524 1106 G N 1.881 110.439 108.800 -0.404 0.000 2.552 1106 G HA2 0.635 4.597 3.960 0.003 0.000 0.324 1106 G HA3 0.635 4.597 3.960 0.003 0.000 0.324 1106 G C -0.823 173.681 174.900 -0.661 0.000 1.217 1106 G CA -0.341 44.402 45.100 -0.595 0.000 0.989 1106 G HN 0.565 nan 8.290 nan 0.000 0.490 1107 Q N -0.782 118.743 119.800 -0.458 0.000 3.550 1107 Q HA 0.656 4.998 4.340 0.003 0.000 0.206 1107 Q C 0.038 176.116 176.000 0.130 0.000 0.891 1107 Q CA 0.284 56.035 55.803 -0.086 0.000 0.737 1107 Q CB 0.819 29.711 28.738 0.256 0.000 1.417 1107 Q HN 2.627 nan 8.270 nan 0.000 0.460 1108 G N 0.515 109.363 108.800 0.079 0.000 2.339 1108 G HA2 0.202 4.164 3.960 0.003 0.000 0.275 1108 G HA3 0.202 4.164 3.960 0.003 0.000 0.275 1108 G C -1.206 173.907 174.900 0.356 0.000 1.323 1108 G CA -0.345 44.904 45.100 0.249 0.000 0.927 1108 G HN 0.804 nan 8.290 nan 0.000 0.486 1109 N N 0.705 119.602 118.700 0.329 0.000 2.399 1109 N HA 0.236 4.978 4.740 0.003 0.000 0.284 1109 N C -0.155 175.617 175.510 0.436 0.000 1.283 1109 N CA -0.024 53.201 53.050 0.293 0.000 0.972 1109 N CB -0.355 38.215 38.487 0.138 0.000 1.328 1109 N HN 0.324 nan 8.380 nan 0.000 0.486 1110 F N 1.484 121.475 119.950 0.068 0.000 2.668 1110 F HA 0.339 4.868 4.527 0.003 0.000 0.301 1110 F C 1.625 177.466 175.800 0.068 0.000 1.106 1110 F CA 0.055 58.082 58.000 0.045 0.000 1.289 1110 F CB -0.190 38.821 39.000 0.017 0.000 1.006 1110 F HN 0.539 nan 8.300 nan 0.000 0.535 1111 G N 0.916 109.853 108.800 0.230 0.000 2.750 1111 G HA2 -0.020 3.942 3.960 0.003 0.000 0.228 1111 G HA3 -0.020 3.942 3.960 0.003 0.000 0.228 1111 G C 0.005 175.037 174.900 0.220 0.000 1.367 1111 G CA -0.251 44.952 45.100 0.171 0.000 0.871 1111 G HN 0.751 nan 8.290 nan 0.000 0.560 1112 S N -2.349 113.431 115.700 0.133 0.000 2.903 1112 S HA 0.675 5.147 4.470 0.003 0.000 0.314 1112 S C 1.456 175.914 174.600 -0.237 0.000 1.177 1112 S CA 0.266 58.474 58.200 0.012 0.000 0.859 1112 S CB 1.020 64.181 63.200 -0.065 0.000 1.265 1112 S HN 0.869 nan 8.310 nan 0.000 0.584 1113 M N 1.538 120.774 119.600 -0.608 0.000 2.108 1113 M HA -0.075 4.407 4.480 0.003 0.000 0.261 1113 M C 0.904 177.063 176.300 -0.235 0.000 1.066 1113 M CA 1.711 56.677 55.300 -0.557 0.000 1.107 1113 M CB -0.751 31.539 32.600 -0.516 0.000 1.356 1113 M HN 0.604 nan 8.290 nan 0.000 0.406 1114 D N 0.408 120.707 120.400 -0.167 0.000 2.411 1114 D HA -0.033 4.609 4.640 0.003 0.000 0.226 1114 D C 1.000 177.265 176.300 -0.058 0.000 0.988 1114 D CA 1.181 55.124 54.000 -0.095 0.000 0.938 1114 D CB -0.461 40.294 40.800 -0.074 0.000 0.883 1114 D HN 0.606 nan 8.370 nan 0.000 0.525 1115 G N 2.394 111.165 108.800 -0.048 0.000 2.324 1115 G HA2 -0.246 3.716 3.960 0.003 0.000 0.292 1115 G HA3 -0.246 3.716 3.960 0.003 0.000 0.292 1115 G C -0.878 174.028 174.900 0.010 0.000 1.079 1115 G CA -0.396 44.702 45.100 -0.003 0.000 1.026 1115 G HN 0.168 nan 8.290 nan 0.000 0.506 1116 D N 0.529 120.943 120.400 0.023 0.000 2.455 1116 D HA 0.444 5.086 4.640 0.003 0.000 0.234 1116 D C 1.360 177.682 176.300 0.036 0.000 1.224 1116 D CA 0.651 54.668 54.000 0.028 0.000 0.999 1116 D CB 0.412 41.234 40.800 0.036 0.000 1.072 1116 D HN 0.613 nan 8.370 nan 0.000 0.514 1117 G N 2.485 111.299 108.800 0.024 0.000 2.388 1117 G HA2 0.141 4.102 3.960 0.003 0.000 0.289 1117 G HA3 0.141 4.102 3.960 0.003 0.000 0.289 1117 G C 0.793 175.710 174.900 0.029 0.000 0.791 1117 G CA -0.128 44.984 45.100 0.020 0.000 1.619 1117 G HN 0.715 nan 8.290 nan 0.000 0.375 1118 A N 2.340 125.165 122.820 0.009 0.000 2.617 1118 A HA 0.353 4.675 4.320 0.003 0.000 0.232 1118 A C 1.514 179.158 177.584 0.099 0.000 1.027 1118 A CA 0.613 52.660 52.037 0.017 0.000 0.806 1118 A CB -0.063 18.845 19.000 -0.152 0.000 0.908 1118 A HN 2.352 nan 8.150 nan 0.000 0.484 1119 A N 1.937 124.824 122.820 0.110 0.000 2.552 1119 A HA 0.449 4.771 4.320 0.003 0.000 0.241 1119 A C 1.233 178.968 177.584 0.253 0.000 1.103 1119 A CA 0.475 52.583 52.037 0.119 0.000 0.789 1119 A CB -0.631 18.399 19.000 0.050 0.000 1.050 1119 A HN 2.558 nan 8.150 nan 0.000 0.515 1120 A N 0.374 123.343 122.820 0.248 0.000 2.325 1120 A HA 0.417 4.739 4.320 0.003 0.000 0.260 1120 A C 1.304 178.908 177.584 0.033 0.000 1.133 1120 A CA 0.606 52.749 52.037 0.178 0.000 0.801 1120 A CB -0.153 18.978 19.000 0.219 0.000 1.092 1120 A HN 1.393 nan 8.150 nan 0.000 0.504 1121 M N -0.956 118.419 119.600 -0.375 0.000 2.509 1121 M HA 0.168 4.650 4.480 0.003 0.000 0.250 1121 M C 1.691 177.823 176.300 -0.279 0.000 1.132 1121 M CA 0.990 55.965 55.300 -0.543 0.000 1.080 1121 M CB -0.266 31.745 32.600 -0.982 0.000 1.408 1121 M HN 0.794 nan 8.290 nan 0.000 0.484 1122 R N 1.275 121.563 120.500 -0.353 0.000 2.133 1122 R HA -0.166 4.176 4.340 0.003 0.000 0.247 1122 R C 1.186 177.202 176.300 -0.473 0.000 1.151 1122 R CA 2.352 58.142 56.100 -0.517 0.000 0.971 1122 R CB -0.403 29.405 30.300 -0.818 0.000 0.866 1122 R HN 0.489 nan 8.270 nan 0.000 0.447 1123 F N 0.415 120.351 119.950 -0.023 0.000 2.220 1123 F HA 0.081 4.609 4.527 0.003 0.000 0.290 1123 F C 1.353 177.193 175.800 0.067 0.000 1.080 1123 F CA 0.505 58.523 58.000 0.031 0.000 1.318 1123 F CB -0.856 38.173 39.000 0.049 0.000 1.063 1123 F HN -0.075 nan 8.300 nan 0.000 0.498 1124 T N 0.568 115.283 114.554 0.268 0.000 2.900 1124 T HA 0.336 4.688 4.350 0.003 0.000 0.307 1124 T C -0.418 174.408 174.700 0.209 0.000 1.065 1124 T CA -0.541 61.721 62.100 0.270 0.000 1.105 1124 T CB 0.948 69.957 68.868 0.234 0.000 0.979 1124 T HN 0.189 nan 8.240 nan 0.000 0.544 1125 E N -0.098 120.257 120.200 0.258 0.000 2.292 1125 E HA 0.609 4.961 4.350 0.003 0.000 0.272 1125 E C -1.074 175.568 176.600 0.069 0.000 0.881 1125 E CA -1.235 55.273 56.400 0.180 0.000 0.754 1125 E CB 2.365 32.209 29.700 0.240 0.000 1.201 1125 E HN 0.840 nan 8.360 nan 0.000 0.425 1126 A N 2.619 125.448 122.820 0.015 0.000 2.515 1126 A HA 0.917 5.238 4.320 0.003 0.000 0.296 1126 A C -0.695 176.833 177.584 -0.094 0.000 1.094 1126 A CA -0.704 51.294 52.037 -0.064 0.000 0.718 1126 A CB 1.753 20.796 19.000 0.072 0.000 1.307 1126 A HN 0.807 nan 8.150 nan 0.000 0.408 1127 R N 0.174 120.593 120.500 -0.135 0.000 2.921 1127 R HA 0.611 4.953 4.340 0.003 0.000 0.268 1127 R C -1.052 175.217 176.300 -0.051 0.000 1.008 1127 R CA -0.925 55.139 56.100 -0.060 0.000 0.876 1127 R CB 0.430 30.722 30.300 -0.014 0.000 1.395 1127 R HN 0.567 nan 8.270 nan 0.000 0.443 1128 M N 1.324 120.919 119.600 -0.009 0.000 2.163 1128 M HA 0.252 4.733 4.480 0.003 0.000 0.305 1128 M C 0.190 176.490 176.300 0.000 0.000 1.166 1128 M CA 0.051 55.350 55.300 -0.003 0.000 1.132 1128 M CB 1.283 33.895 32.600 0.019 0.000 1.413 1128 M HN 0.845 nan 8.290 nan 0.000 0.478 1129 T N -2.013 112.540 114.554 -0.002 0.000 2.948 1129 T HA 0.411 4.763 4.350 0.003 0.000 0.285 1129 T C 0.539 175.259 174.700 0.033 0.000 1.019 1129 T CA -0.960 61.148 62.100 0.014 0.000 1.013 1129 T CB 1.326 70.189 68.868 -0.009 0.000 1.117 1129 T HN 0.626 nan 8.240 nan 0.000 0.533 1130 K N 0.188 120.636 120.400 0.081 0.000 2.097 1130 K HA 0.071 4.393 4.320 0.003 0.000 0.205 1130 K C 2.132 178.760 176.600 0.047 0.000 1.050 1130 K CA 1.255 57.633 56.287 0.153 0.000 0.938 1130 K CB -0.527 32.136 32.500 0.270 0.000 0.718 1130 K HN 0.664 nan 8.250 nan 0.000 0.442 1131 I N 1.130 121.580 120.570 -0.201 0.000 2.208 1131 I HA -0.286 3.885 4.170 0.003 0.000 0.245 1131 I C 1.581 177.405 176.117 -0.489 0.000 1.097 1131 I CA 1.676 62.437 61.300 -0.899 0.000 1.363 1131 I CB -0.303 37.230 38.000 -0.777 0.000 1.051 1131 I HN 0.068 nan 8.210 nan 0.000 0.413 1132 T N 2.239 116.694 114.554 -0.165 0.000 2.720 1132 T HA -0.173 4.179 4.350 0.003 0.000 0.268 1132 T C 1.867 176.583 174.700 0.027 0.000 1.037 1132 T CA 1.977 64.072 62.100 -0.008 0.000 1.144 1132 T CB -0.666 68.207 68.868 0.008 0.000 0.864 1132 T HN 0.391 nan 8.240 nan 0.000 0.444 1133 L N 0.917 122.148 121.223 0.013 0.000 2.270 1133 L HA -0.139 4.203 4.340 0.003 0.000 0.217 1133 L C 2.252 179.166 176.870 0.073 0.000 1.107 1133 L CA 1.052 55.924 54.840 0.053 0.000 0.772 1133 L CB -0.553 41.551 42.059 0.076 0.000 0.902 1133 L HN 0.205 nan 8.230 nan 0.000 0.439 1134 E N -0.617 119.617 120.200 0.057 0.000 2.474 1134 E HA 0.096 4.447 4.350 0.003 0.000 0.195 1134 E C 2.011 178.737 176.600 0.209 0.000 1.039 1134 E CA 0.209 56.678 56.400 0.116 0.000 0.881 1134 E CB 0.400 30.128 29.700 0.047 0.000 0.970 1134 E HN 0.521 nan 8.360 nan 0.000 0.486 1135 L N -0.375 120.958 121.223 0.184 0.000 2.249 1135 L HA 0.052 4.394 4.340 0.003 0.000 0.207 1135 L C 1.727 178.648 176.870 0.086 0.000 1.090 1135 L CA 0.675 55.591 54.840 0.128 0.000 0.802 1135 L CB 0.061 42.179 42.059 0.098 0.000 0.947 1135 L HN 0.109 nan 8.230 nan 0.000 0.453 1136 L N -1.701 119.576 121.223 0.091 0.000 2.590 1136 L HA 0.163 4.504 4.340 0.003 0.000 0.227 1136 L C 1.261 178.183 176.870 0.086 0.000 1.099 1136 L CA -0.142 54.752 54.840 0.090 0.000 0.872 1136 L CB -0.182 41.934 42.059 0.095 0.000 1.088 1136 L HN 0.009 nan 8.230 nan 0.000 0.479 1137 R N 2.383 122.934 120.500 0.085 0.000 2.770 1137 R HA -0.125 4.217 4.340 0.003 0.000 0.361 1137 R C -0.505 175.828 176.300 0.056 0.000 0.860 1137 R CA 0.760 56.905 56.100 0.074 0.000 1.071 1137 R CB -0.334 30.018 30.300 0.086 0.000 0.907 1137 R HN 0.246 nan 8.270 nan 0.000 0.403 1138 D N 2.510 122.936 120.400 0.043 0.000 3.064 1138 D HA -0.177 4.465 4.640 0.003 0.000 0.206 1138 D C 0.498 176.799 176.300 0.002 0.000 0.981 1138 D CA 0.652 54.657 54.000 0.008 0.000 0.972 1138 D CB -1.208 39.591 40.800 -0.003 0.000 1.045 1138 D HN 0.644 nan 8.370 nan 0.000 0.453 1139 I N 0.093 120.699 120.570 0.061 0.000 2.761 1139 I HA -0.076 4.096 4.170 0.003 0.000 0.261 1139 I C 1.513 177.738 176.117 0.181 0.000 1.198 1139 I CA 0.960 62.334 61.300 0.124 0.000 1.482 1139 I CB 0.182 38.297 38.000 0.192 0.000 1.100 1139 I HN -0.039 nan 8.210 nan 0.000 0.445 1140 N N 1.218 119.962 118.700 0.074 0.000 2.422 1140 N HA 0.006 4.748 4.740 0.003 0.000 0.181 1140 N C 0.343 175.729 175.510 -0.207 0.000 1.080 1140 N CA 0.486 53.533 53.050 -0.007 0.000 0.893 1140 N CB 0.108 38.593 38.487 -0.003 0.000 0.973 1140 N HN 0.394 nan 8.380 nan 0.000 0.456 1141 K N 1.558 121.739 120.400 -0.365 0.000 3.100 1141 K HA 0.019 4.341 4.320 0.003 0.000 0.256 1141 K C -0.483 175.636 176.600 -0.802 0.000 1.146 1141 K CA -0.261 55.419 56.287 -1.013 0.000 1.233 1141 K CB -0.371 31.684 32.500 -0.742 0.000 1.226 1141 K HN -0.079 nan 8.250 nan 0.000 0.442 1142 D N 1.796 121.987 120.400 -0.348 0.000 2.971 1142 D HA -0.179 4.463 4.640 0.003 0.000 0.212 1142 D C 0.416 176.684 176.300 -0.053 0.000 1.243 1142 D CA 1.190 55.149 54.000 -0.068 0.000 0.781 1142 D CB -0.472 40.370 40.800 0.071 0.000 0.894 1142 D HN 0.554 nan 8.370 nan 0.000 0.392 1143 T N -0.736 113.795 114.554 -0.039 0.000 3.026 1143 T HA 0.308 4.659 4.350 0.003 0.000 0.245 1143 T C 1.060 175.736 174.700 -0.039 0.000 1.004 1143 T CA 0.509 62.578 62.100 -0.053 0.000 1.069 1143 T CB 0.045 68.871 68.868 -0.070 0.000 1.005 1143 T HN 0.455 nan 8.240 nan 0.000 0.472 1144 I N -0.759 119.812 120.570 0.002 0.000 2.969 1144 I HA 0.732 4.904 4.170 0.003 0.000 0.307 1144 I C -1.992 174.145 176.117 0.032 0.000 1.149 1144 I CA -1.461 59.830 61.300 -0.015 0.000 1.008 1144 I CB 1.447 39.412 38.000 -0.059 0.000 1.232 1144 I HN -0.300 nan 8.210 nan 0.000 0.435 1145 D N 3.386 123.784 120.400 -0.003 0.000 2.389 1145 D HA 0.375 5.017 4.640 0.003 0.000 0.247 1145 D C -0.704 175.587 176.300 -0.016 0.000 1.128 1145 D CA 0.538 54.562 54.000 0.041 0.000 0.884 1145 D CB 0.424 41.231 40.800 0.013 0.000 1.194 1145 D HN 0.318 nan 8.370 nan 0.000 0.441 1146 F N 1.193 121.126 119.950 -0.029 0.000 2.411 1146 F HA 0.565 5.094 4.527 0.003 0.000 0.324 1146 F C 0.666 176.452 175.800 -0.024 0.000 1.086 1146 F CA -0.811 57.164 58.000 -0.042 0.000 1.028 1146 F CB 0.855 39.845 39.000 -0.016 0.000 1.284 1146 F HN 0.196 nan 8.300 nan 0.000 0.501 1147 I N -1.913 118.749 120.570 0.153 0.000 2.908 1147 I HA 0.393 4.565 4.170 0.003 0.000 0.300 1147 I C -1.443 174.728 176.117 0.089 0.000 1.385 1147 I CA -1.159 60.193 61.300 0.085 0.000 1.004 1147 I CB 1.781 39.798 38.000 0.028 0.000 1.309 1147 I HN 0.250 nan 8.210 nan 0.000 0.449 1148 D N 3.930 124.366 120.400 0.060 0.000 2.474 1148 D HA 0.029 4.671 4.640 0.003 0.000 0.232 1148 D C 0.098 176.420 176.300 0.036 0.000 1.177 1148 D CA 0.643 54.665 54.000 0.036 0.000 0.876 1148 D CB 0.508 41.319 40.800 0.017 0.000 1.208 1148 D HN 0.712 nan 8.370 nan 0.000 0.464 1149 N N 0.589 119.286 118.700 -0.006 0.000 2.476 1149 N HA -0.009 4.733 4.740 0.003 0.000 0.287 1149 N C 1.056 176.532 175.510 -0.056 0.000 1.262 1149 N CA -0.526 52.515 53.050 -0.016 0.000 0.980 1149 N CB -0.190 38.239 38.487 -0.096 0.000 1.163 1149 N HN 0.584 nan 8.380 nan 0.000 0.592 1150 Y N -1.537 118.769 120.300 0.009 0.000 2.465 1150 Y HA -0.050 4.502 4.550 0.003 0.000 0.289 1150 Y C 0.270 176.160 175.900 -0.017 0.000 1.150 1150 Y CA 1.375 59.469 58.100 -0.010 0.000 1.293 1150 Y CB -0.377 38.062 38.460 -0.036 0.000 0.977 1150 Y HN 0.529 nan 8.280 nan 0.000 0.556 1151 D N -1.618 118.503 120.400 -0.465 0.000 2.563 1151 D HA 0.185 4.827 4.640 0.003 0.000 0.237 1151 D C 1.726 177.910 176.300 -0.195 0.000 1.282 1151 D CA 0.040 53.867 54.000 -0.288 0.000 0.816 1151 D CB -0.106 40.457 40.800 -0.395 0.000 1.066 1151 D HN 0.406 nan 8.370 nan 0.000 0.501 1152 G N 1.589 110.296 108.800 -0.156 0.000 2.366 1152 G HA2 -0.501 3.461 3.960 0.003 0.000 0.263 1152 G HA3 -0.501 3.461 3.960 0.003 0.000 0.263 1152 G C 1.267 176.111 174.900 -0.093 0.000 0.986 1152 G CA 0.976 46.024 45.100 -0.087 0.000 0.632 1152 G HN 0.401 nan 8.290 nan 0.000 0.555 1153 N N 1.261 119.880 118.700 -0.134 0.000 2.348 1153 N HA 0.053 4.795 4.740 0.003 0.000 0.185 1153 N C 0.934 176.376 175.510 -0.112 0.000 1.019 1153 N CA 1.586 54.566 53.050 -0.117 0.000 0.880 1153 N CB 0.075 38.480 38.487 -0.137 0.000 0.965 1153 N HN 0.724 nan 8.380 nan 0.000 0.437 1154 E N -0.367 119.753 120.200 -0.134 0.000 2.410 1154 E HA 0.409 4.761 4.350 0.003 0.000 0.269 1154 E C -0.381 176.210 176.600 -0.014 0.000 0.937 1154 E CA -0.705 55.636 56.400 -0.097 0.000 0.793 1154 E CB 1.952 31.531 29.700 -0.201 0.000 1.314 1154 E HN -0.106 nan 8.360 nan 0.000 0.447 1155 R N 1.250 121.803 120.500 0.088 0.000 2.670 1155 R HA 0.430 4.772 4.340 0.003 0.000 0.289 1155 R C -0.057 176.493 176.300 0.418 0.000 0.965 1155 R CA -0.535 55.693 56.100 0.212 0.000 0.899 1155 R CB 2.110 32.534 30.300 0.207 0.000 1.173 1155 R HN 0.737 nan 8.270 nan 0.000 0.456 1156 E N 1.885 122.278 120.200 0.321 0.000 2.429 1156 E HA 0.552 4.904 4.350 0.003 0.000 0.276 1156 E C -2.840 173.494 176.600 -0.444 0.000 0.953 1156 E CA -2.395 54.018 56.400 0.021 0.000 0.787 1156 E CB 2.482 32.291 29.700 0.182 0.000 1.307 1156 E HN 0.057 nan 8.360 nan 0.000 0.458 1157 P HA -0.025 nan 4.420 nan 0.000 0.268 1157 P C 0.594 177.606 177.300 -0.481 0.000 1.205 1157 P CA 0.090 62.567 63.100 -1.039 0.000 0.771 1157 P CB 0.935 32.054 31.700 -0.968 0.000 0.858 1158 S N 1.953 117.444 115.700 -0.347 0.000 2.414 1158 S HA 0.078 4.550 4.470 0.003 0.000 0.227 1158 S C 0.730 175.235 174.600 -0.158 0.000 1.022 1158 S CA 0.669 58.762 58.200 -0.180 0.000 0.958 1158 S CB -0.252 62.880 63.200 -0.113 0.000 0.797 1158 S HN 0.401 nan 8.310 nan 0.000 0.493 1159 V N -0.111 119.688 119.914 -0.193 0.000 3.258 1159 V HA 0.506 4.628 4.120 0.003 0.000 0.299 1159 V C -1.683 174.318 176.094 -0.155 0.000 1.376 1159 V CA -1.308 60.909 62.300 -0.138 0.000 1.063 1159 V CB 1.970 33.750 31.823 -0.073 0.000 1.103 1159 V HN 0.445 nan 8.190 nan 0.000 0.451 1160 L N 3.083 124.245 121.223 -0.101 0.000 2.416 1160 L HA 0.533 4.875 4.340 0.003 0.000 0.263 1160 L C -1.779 175.111 176.870 0.034 0.000 1.065 1160 L CA -1.717 53.088 54.840 -0.059 0.000 0.798 1160 L CB 1.575 43.608 42.059 -0.042 0.000 1.267 1160 L HN 0.470 nan 8.230 nan 0.000 0.467 1161 P HA -0.058 nan 4.420 nan 0.000 0.217 1161 P C -0.014 177.410 177.300 0.206 0.000 1.154 1161 P CA 0.960 64.152 63.100 0.153 0.000 0.841 1161 P CB 0.181 31.919 31.700 0.065 0.000 0.788 1162 A N -0.060 122.799 122.820 0.066 0.000 2.136 1162 A HA -0.219 4.103 4.320 0.003 0.000 0.274 1162 A C 0.992 178.656 177.584 0.133 0.000 1.388 1162 A CA 0.289 52.304 52.037 -0.036 0.000 0.741 1162 A CB -1.670 17.233 19.000 -0.163 0.000 1.173 1162 A HN 0.094 nan 8.150 nan 0.000 0.329 1163 R N -0.571 120.050 120.500 0.202 0.000 2.395 1163 R HA 0.112 4.454 4.340 0.003 0.000 0.202 1163 R C 0.226 176.781 176.300 0.425 0.000 1.088 1163 R CA 1.391 57.649 56.100 0.263 0.000 1.090 1163 R CB -1.279 29.148 30.300 0.212 0.000 0.876 1163 R HN 1.230 nan 8.270 nan 0.000 0.477 1164 F N -2.178 117.913 119.950 0.235 0.000 2.623 1164 F HA 0.413 4.942 4.527 0.003 0.000 0.323 1164 F C -2.812 172.917 175.800 -0.118 0.000 1.158 1164 F CA -3.097 54.938 58.000 0.059 0.000 1.030 1164 F CB 1.571 40.528 39.000 -0.071 0.000 1.280 1164 F HN -0.243 nan 8.300 nan 0.000 0.474 1165 P HA -0.055 nan 4.420 nan 0.000 0.231 1165 P C -0.321 176.702 177.300 -0.462 0.000 1.210 1165 P CA 0.697 63.292 63.100 -0.841 0.000 1.332 1165 P CB 0.222 31.416 31.700 -0.844 0.000 1.594 1166 N N 2.028 120.402 118.700 -0.543 0.000 2.446 1166 N HA -0.083 4.659 4.740 0.003 0.000 0.179 1166 N C 1.504 176.895 175.510 -0.198 0.000 1.054 1166 N CA 0.160 52.980 53.050 -0.383 0.000 0.905 1166 N CB -0.430 37.730 38.487 -0.544 0.000 0.973 1166 N HN 0.129 nan 8.380 nan 0.000 0.448 1167 L N 0.128 121.227 121.223 -0.208 0.000 1.970 1167 L HA -0.059 4.283 4.340 0.003 0.000 0.212 1167 L C 1.584 178.382 176.870 -0.120 0.000 1.071 1167 L CA 1.699 56.452 54.840 -0.145 0.000 0.751 1167 L CB -0.329 41.647 42.059 -0.138 0.000 0.889 1167 L HN 0.217 nan 8.230 nan 0.000 0.432 1168 L N -1.049 120.073 121.223 -0.169 0.000 2.307 1168 L HA 0.120 4.462 4.340 0.003 0.000 0.211 1168 L C 2.588 179.413 176.870 -0.076 0.000 1.099 1168 L CA 0.775 55.503 54.840 -0.185 0.000 0.816 1168 L CB -0.966 40.841 42.059 -0.420 0.000 0.952 1168 L HN 0.263 nan 8.230 nan 0.000 0.455 1169 A N 0.335 123.128 122.820 -0.044 0.000 1.877 1169 A HA -0.186 4.136 4.320 0.003 0.000 0.216 1169 A C 2.172 179.811 177.584 0.092 0.000 1.186 1169 A CA 2.030 54.136 52.037 0.117 0.000 0.620 1169 A CB -0.383 18.776 19.000 0.265 0.000 0.822 1169 A HN 0.437 nan 8.150 nan 0.000 0.443 1170 N N -1.430 117.277 118.700 0.012 0.000 2.407 1170 N HA 0.187 4.929 4.740 0.003 0.000 0.182 1170 N C 0.674 176.065 175.510 -0.199 0.000 1.079 1170 N CA 1.037 54.007 53.050 -0.133 0.000 0.882 1170 N CB 0.517 38.902 38.487 -0.170 0.000 1.106 1170 N HN 0.621 nan 8.380 nan 0.000 0.461 1171 G N 1.053 109.792 108.800 -0.102 0.000 3.138 1171 G HA2 0.021 3.983 3.960 0.003 0.000 0.685 1171 G HA3 0.021 3.983 3.960 0.003 0.000 0.685 1171 G C -0.618 174.271 174.900 -0.017 0.000 0.995 1171 G CA -0.036 45.053 45.100 -0.019 0.000 0.849 1171 G HN 0.448 nan 8.290 nan 0.000 0.537 1172 A N 1.931 124.766 122.820 0.025 0.000 2.350 1172 A HA 0.998 5.320 4.320 0.003 0.000 0.324 1172 A C 0.427 178.068 177.584 0.094 0.000 1.118 1172 A CA 0.317 52.371 52.037 0.028 0.000 0.783 1172 A CB 1.747 20.741 19.000 -0.010 0.000 1.236 1172 A HN 2.373 nan 8.150 nan 0.000 0.457 1173 S N 1.194 116.947 115.700 0.089 0.000 2.653 1173 S HA 0.680 5.152 4.470 0.003 0.000 0.272 1173 S C -0.029 174.589 174.600 0.031 0.000 1.221 1173 S CA -0.058 58.184 58.200 0.070 0.000 1.149 1173 S CB 0.814 64.058 63.200 0.073 0.000 1.029 1173 S HN 1.491 nan 8.310 nan 0.000 0.481 1174 G N 1.829 110.641 108.800 0.019 0.000 2.432 1174 G HA2 0.718 4.680 3.960 0.003 0.000 0.331 1174 G HA3 0.718 4.680 3.960 0.003 0.000 0.331 1174 G C -0.796 174.098 174.900 -0.010 0.000 1.170 1174 G CA -1.110 43.996 45.100 0.010 0.000 0.943 1174 G HN 0.764 nan 8.290 nan 0.000 0.483 1175 I N 1.455 122.016 120.570 -0.015 0.000 2.420 1175 I HA 0.576 4.748 4.170 0.003 0.000 0.282 1175 I C 0.409 176.505 176.117 -0.034 0.000 1.019 1175 I CA -0.558 60.728 61.300 -0.023 0.000 1.130 1175 I CB 1.561 39.549 38.000 -0.020 0.000 1.262 1175 I HN 0.589 nan 8.210 nan 0.000 0.454 1176 A N 5.532 128.327 122.820 -0.042 0.000 2.414 1176 A HA 0.882 5.204 4.320 0.003 0.000 0.278 1176 A C -0.342 177.200 177.584 -0.069 0.000 1.228 1176 A CA -0.622 51.371 52.037 -0.073 0.000 0.857 1176 A CB 1.209 20.165 19.000 -0.073 0.000 1.389 1176 A HN 0.319 nan 8.150 nan 0.000 0.452 1177 V N -0.120 119.727 119.914 -0.112 0.000 3.083 1177 V HA 0.466 4.588 4.120 0.003 0.000 0.306 1177 V C 1.921 178.008 176.094 -0.011 0.000 1.077 1177 V CA 1.240 63.504 62.300 -0.060 0.000 1.073 1177 V CB 0.707 32.453 31.823 -0.128 0.000 1.081 1177 V HN 2.003 nan 8.190 nan 0.000 0.474 1178 G N 2.062 110.891 108.800 0.049 0.000 2.719 1178 G HA2 -0.350 3.612 3.960 0.003 0.000 0.243 1178 G HA3 -0.350 3.612 3.960 0.003 0.000 0.243 1178 G C 0.267 175.178 174.900 0.019 0.000 1.031 1178 G CA 1.815 46.943 45.100 0.046 0.000 0.685 1178 G HN 0.819 nan 8.290 nan 0.000 0.561 1179 M N -2.883 116.718 119.600 0.001 0.000 3.299 1179 M HA 0.820 5.302 4.480 0.003 0.000 0.340 1179 M C -0.347 175.945 176.300 -0.013 0.000 1.502 1179 M CA -0.408 54.889 55.300 -0.006 0.000 0.805 1179 M CB 1.538 34.132 32.600 -0.010 0.000 2.226 1179 M HN 1.788 nan 8.290 nan 0.000 0.460 1180 A N 0.268 123.079 122.820 -0.015 0.000 2.448 1180 A HA 0.519 4.841 4.320 0.003 0.000 0.288 1180 A C -1.128 176.447 177.584 -0.015 0.000 0.931 1180 A CA -0.139 51.887 52.037 -0.019 0.000 0.739 1180 A CB 0.373 19.360 19.000 -0.022 0.000 1.037 1180 A HN 0.901 nan 8.150 nan 0.000 0.361 1181 T N 0.991 115.539 114.554 -0.010 0.000 2.950 1181 T HA 0.778 5.130 4.350 0.003 0.000 0.288 1181 T C -0.894 173.809 174.700 0.006 0.000 1.035 1181 T CA -0.475 61.628 62.100 0.005 0.000 1.028 1181 T CB 1.042 69.919 68.868 0.014 0.000 1.109 1181 T HN 1.130 nan 8.240 nan 0.000 0.514 1182 N N 2.625 121.348 118.700 0.037 0.000 2.752 1182 N HA 0.316 5.058 4.740 0.003 0.000 0.268 1182 N C -1.771 173.892 175.510 0.254 0.000 1.190 1182 N CA -0.311 52.771 53.050 0.055 0.000 0.897 1182 N CB 0.639 39.037 38.487 -0.148 0.000 1.515 1182 N HN 0.604 nan 8.380 nan 0.000 0.567 1183 I N 3.702 124.487 120.570 0.358 0.000 2.465 1183 I HA 0.525 4.697 4.170 0.003 0.000 0.291 1183 I C -2.252 174.117 176.117 0.419 0.000 1.014 1183 I CA -1.992 59.544 61.300 0.394 0.000 1.093 1183 I CB 2.550 40.663 38.000 0.189 0.000 1.267 1183 I HN 0.254 nan 8.210 nan 0.000 0.431 1184 P HA 0.479 nan 4.420 nan 0.000 0.283 1184 P C -2.688 174.528 177.300 -0.140 0.000 1.271 1184 P CA -2.127 60.779 63.100 -0.324 0.000 0.841 1184 P CB 0.249 31.459 31.700 -0.816 0.000 1.122 1185 P HA 0.241 nan 4.420 nan 0.000 0.280 1185 P C -0.488 176.633 177.300 -0.299 0.000 1.278 1185 P CA 0.457 63.383 63.100 -0.290 0.000 0.787 1185 P CB 0.312 31.702 31.700 -0.517 0.000 1.163 1186 H N -3.006 115.896 119.070 -0.279 0.000 3.234 1186 H HA 0.357 4.915 4.556 0.003 0.000 0.280 1186 H C -0.655 174.586 175.328 -0.146 0.000 1.601 1186 H CA -0.559 55.352 56.048 -0.228 0.000 1.198 1186 H CB 0.558 30.232 29.762 -0.147 0.000 1.840 1186 H HN 0.322 nan 8.280 nan 0.000 0.681 1187 N N 1.332 120.090 118.700 0.097 0.000 2.362 1187 N HA 0.069 4.811 4.740 0.003 0.000 0.298 1187 N C 0.070 175.658 175.510 0.131 0.000 1.048 1187 N CA -0.287 52.824 53.050 0.102 0.000 0.858 1187 N CB 1.968 40.477 38.487 0.038 0.000 1.218 1187 N HN 0.503 nan 8.380 nan 0.000 0.488 1188 L N 3.865 125.201 121.223 0.188 0.000 2.179 1188 L HA 0.030 4.372 4.340 0.003 0.000 0.208 1188 L C 1.822 178.692 176.870 -0.000 0.000 1.096 1188 L CA 1.788 56.652 54.840 0.039 0.000 0.779 1188 L CB -0.952 40.994 42.059 -0.189 0.000 0.922 1188 L HN 0.705 nan 8.230 nan 0.000 0.443 1189 T N -0.470 114.097 114.554 0.022 0.000 2.520 1189 T HA -0.240 4.112 4.350 0.003 0.000 0.258 1189 T C 1.604 176.304 174.700 -0.000 0.000 1.125 1189 T CA 1.704 63.809 62.100 0.008 0.000 1.206 1189 T CB -0.504 68.375 68.868 0.017 0.000 0.864 1189 T HN 0.376 nan 8.240 nan 0.000 0.400 1190 E N 0.956 121.159 120.200 0.005 0.000 2.149 1190 E HA -0.221 4.131 4.350 0.003 0.000 0.215 1190 E C 2.185 178.769 176.600 -0.027 0.000 1.055 1190 E CA 1.605 58.003 56.400 -0.004 0.000 0.870 1190 E CB -0.646 29.060 29.700 0.009 0.000 0.764 1190 E HN 0.403 nan 8.360 nan 0.000 0.463 1191 L N 0.495 121.692 121.223 -0.043 0.000 1.944 1191 L HA -0.263 4.079 4.340 0.003 0.000 0.218 1191 L C 2.579 179.408 176.870 -0.068 0.000 1.075 1191 L CA 1.508 56.293 54.840 -0.091 0.000 0.767 1191 L CB -0.736 41.246 42.059 -0.128 0.000 0.890 1191 L HN 0.203 nan 8.230 nan 0.000 0.434 1192 I N 0.024 120.568 120.570 -0.044 0.000 2.236 1192 I HA -0.321 3.851 4.170 0.003 0.000 0.249 1192 I C 2.150 178.266 176.117 -0.001 0.000 1.102 1192 I CA 1.311 62.606 61.300 -0.009 0.000 1.365 1192 I CB -0.790 37.218 38.000 0.013 0.000 1.051 1192 I HN 0.406 nan 8.210 nan 0.000 0.420 1193 N N 1.512 120.207 118.700 -0.008 0.000 2.166 1193 N HA -0.113 4.629 4.740 0.003 0.000 0.186 1193 N C 1.940 177.443 175.510 -0.011 0.000 1.019 1193 N CA 1.499 54.546 53.050 -0.006 0.000 0.856 1193 N CB -0.798 37.685 38.487 -0.006 0.000 0.993 1193 N HN 0.473 nan 8.380 nan 0.000 0.426 1194 G N 1.164 109.948 108.800 -0.027 0.000 2.511 1194 G HA2 -0.230 3.732 3.960 0.003 0.000 0.216 1194 G HA3 -0.230 3.732 3.960 0.003 0.000 0.216 1194 G C 1.646 176.534 174.900 -0.019 0.000 1.218 1194 G CA 1.588 46.666 45.100 -0.038 0.000 0.788 1194 G HN 0.204 nan 8.290 nan 0.000 0.560 1195 V N 1.353 121.263 119.914 -0.006 0.000 2.252 1195 V HA -0.221 3.901 4.120 0.003 0.000 0.249 1195 V C 2.925 179.035 176.094 0.027 0.000 1.056 1195 V CA 1.810 64.130 62.300 0.033 0.000 1.022 1195 V CB -0.942 30.939 31.823 0.097 0.000 0.641 1195 V HN 0.357 nan 8.190 nan 0.000 0.445 1196 L N 0.563 121.800 121.223 0.023 0.000 2.085 1196 L HA -0.280 4.062 4.340 0.003 0.000 0.218 1196 L C 2.480 179.355 176.870 0.009 0.000 1.080 1196 L CA 2.214 57.064 54.840 0.017 0.000 0.776 1196 L CB -0.649 41.417 42.059 0.012 0.000 0.891 1196 L HN 0.404 nan 8.230 nan 0.000 0.437 1197 S N -1.135 114.567 115.700 0.003 0.000 2.486 1197 S HA 0.006 4.478 4.470 0.003 0.000 0.220 1197 S C 1.620 176.219 174.600 -0.002 0.000 1.011 1197 S CA 0.196 58.396 58.200 -0.001 0.000 0.921 1197 S CB 0.123 63.321 63.200 -0.004 0.000 0.785 1197 S HN 0.249 nan 8.310 nan 0.000 0.517 1198 L N 2.748 123.970 121.223 -0.001 0.000 2.131 1198 L HA 0.047 4.389 4.340 0.003 0.000 0.206 1198 L C 2.246 179.117 176.870 0.001 0.000 1.087 1198 L CA 1.720 56.559 54.840 -0.002 0.000 0.767 1198 L CB -0.920 41.137 42.059 -0.003 0.000 0.917 1198 L HN 0.337 nan 8.230 nan 0.000 0.441 1199 S N -0.836 114.868 115.700 0.007 0.000 2.419 1199 S HA -0.221 4.251 4.470 0.003 0.000 0.235 1199 S C 1.859 176.460 174.600 0.000 0.000 1.019 1199 S CA 1.399 59.603 58.200 0.006 0.000 0.982 1199 S CB -0.585 62.624 63.200 0.014 0.000 0.789 1199 S HN 0.588 nan 8.310 nan 0.000 0.490 1200 K N 0.852 121.252 120.400 0.000 0.000 2.211 1200 K HA 0.199 4.521 4.320 0.003 0.000 0.201 1200 K C 0.388 176.986 176.600 -0.004 0.000 1.052 1200 K CA 0.557 56.843 56.287 -0.002 0.000 0.973 1200 K CB -0.071 32.428 32.500 -0.001 0.000 0.766 1200 K HN 0.331 nan 8.250 nan 0.000 0.466 1201 N N -0.054 118.644 118.700 -0.004 0.000 2.296 1201 N HA 0.172 4.914 4.740 0.003 0.000 0.294 1201 N C -2.516 172.989 175.510 -0.007 0.000 1.033 1201 N CA -2.310 50.737 53.050 -0.005 0.000 0.839 1201 N CB 1.995 40.480 38.487 -0.004 0.000 1.395 1201 N HN -0.303 nan 8.380 nan 0.000 0.479 1202 P HA 0.150 nan 4.420 nan 0.000 0.216 1202 P C -0.406 176.888 177.300 -0.011 0.000 1.154 1202 P CA 0.863 63.956 63.100 -0.012 0.000 0.857 1202 P CB 0.427 32.120 31.700 -0.012 0.000 0.787 1203 D N -0.400 119.996 120.400 -0.008 0.000 2.370 1203 D HA 0.106 4.747 4.640 0.003 0.000 0.230 1203 D C 0.950 177.248 176.300 -0.003 0.000 1.143 1203 D CA -0.288 53.709 54.000 -0.005 0.000 0.834 1203 D CB -0.856 39.942 40.800 -0.004 0.000 0.944 1203 D HN 0.218 nan 8.370 nan 0.000 0.504 1204 I N 0.532 121.099 120.570 -0.005 0.000 3.543 1204 I HA 0.012 4.184 4.170 0.003 0.000 0.262 1204 I C 0.546 176.663 176.117 -0.001 0.000 1.301 1204 I CA 0.083 61.382 61.300 -0.003 0.000 1.242 1204 I CB 0.601 38.598 38.000 -0.005 0.000 1.402 1204 I HN 0.061 nan 8.210 nan 0.000 0.671 1205 S N 3.437 119.138 115.700 0.001 0.000 2.810 1205 S HA 0.492 4.964 4.470 0.003 0.000 0.315 1205 S C 0.512 175.116 174.600 0.007 0.000 1.138 1205 S CA -0.847 57.357 58.200 0.006 0.000 0.889 1205 S CB 1.307 64.513 63.200 0.011 0.000 1.236 1205 S HN 0.612 nan 8.310 nan 0.000 0.548 1206 I N 0.562 121.143 120.570 0.018 0.000 3.030 1206 I HA 0.089 4.261 4.170 0.003 0.000 0.270 1206 I C 2.576 178.720 176.117 0.045 0.000 1.211 1206 I CA 0.800 62.117 61.300 0.028 0.000 1.479 1206 I CB -0.707 37.322 38.000 0.048 0.000 1.105 1206 I HN 0.807 nan 8.210 nan 0.000 0.447 1207 A N 0.967 123.809 122.820 0.037 0.000 1.855 1207 A HA -0.233 4.088 4.320 0.003 0.000 0.215 1207 A C 2.251 179.851 177.584 0.027 0.000 1.191 1207 A CA 1.643 53.701 52.037 0.035 0.000 0.613 1207 A CB -0.592 18.423 19.000 0.026 0.000 0.829 1207 A HN 0.373 nan 8.150 nan 0.000 0.442 1208 E N -0.555 119.656 120.200 0.017 0.000 2.118 1208 E HA -0.179 4.173 4.350 0.003 0.000 0.195 1208 E C 1.919 178.524 176.600 0.007 0.000 0.992 1208 E CA 1.049 57.455 56.400 0.010 0.000 0.804 1208 E CB -0.181 29.522 29.700 0.006 0.000 0.741 1208 E HN 0.595 nan 8.360 nan 0.000 0.458 1209 L N -0.038 121.188 121.223 0.004 0.000 2.109 1209 L HA -0.106 4.236 4.340 0.003 0.000 0.207 1209 L C 2.368 179.242 176.870 0.006 0.000 1.086 1209 L CA 0.803 55.638 54.840 -0.009 0.000 0.760 1209 L CB -0.037 42.002 42.059 -0.033 0.000 0.910 1209 L HN 0.262 nan 8.230 nan 0.000 0.437 1210 M N -1.124 118.498 119.600 0.037 0.000 2.630 1210 M HA -0.137 4.345 4.480 0.003 0.000 0.254 1210 M C 1.538 177.869 176.300 0.051 0.000 1.092 1210 M CA 1.043 56.389 55.300 0.076 0.000 1.087 1210 M CB -0.069 32.599 32.600 0.112 0.000 1.453 1210 M HN 0.237 nan 8.290 nan 0.000 0.509 1211 E N 0.087 120.304 120.200 0.029 0.000 2.170 1211 E HA -0.127 4.225 4.350 0.003 0.000 0.191 1211 E C 1.435 178.043 176.600 0.013 0.000 0.981 1211 E CA 0.660 57.071 56.400 0.019 0.000 0.830 1211 E CB 0.235 29.942 29.700 0.013 0.000 0.775 1211 E HN 0.339 nan 8.360 nan 0.000 0.470 1212 D N 0.310 120.715 120.400 0.008 0.000 2.091 1212 D HA 0.004 4.646 4.640 0.003 0.000 0.199 1212 D C 0.671 176.972 176.300 0.003 0.000 0.980 1212 D CA 0.940 54.940 54.000 -0.000 0.000 0.831 1212 D CB 0.270 41.063 40.800 -0.012 0.000 0.987 1212 D HN 0.070 nan 8.370 nan 0.000 0.460 1213 I N 0.032 120.606 120.570 0.006 0.000 2.707 1213 I HA 0.208 4.380 4.170 0.003 0.000 0.309 1213 I C 1.129 177.296 176.117 0.084 0.000 1.001 1213 I CA -0.557 60.759 61.300 0.026 0.000 1.129 1213 I CB 2.193 40.183 38.000 -0.017 0.000 1.308 1213 I HN -0.197 nan 8.210 nan 0.000 0.466 1214 E N 1.771 122.032 120.200 0.102 0.000 2.406 1214 E HA 0.428 4.780 4.350 0.003 0.000 0.200 1214 E C 0.269 176.968 176.600 0.164 0.000 1.034 1214 E CA -0.326 56.134 56.400 0.101 0.000 1.057 1214 E CB 0.521 30.229 29.700 0.014 0.000 1.751 1214 E HN 0.739 nan 8.360 nan 0.000 0.525 1215 G N 0.454 109.267 108.800 0.021 0.000 2.695 1215 G HA2 0.370 4.332 3.960 0.003 0.000 0.290 1215 G HA3 0.370 4.332 3.960 0.003 0.000 0.290 1215 G C -2.898 171.724 174.900 -0.463 0.000 1.410 1215 G CA -1.319 43.705 45.100 -0.126 0.000 0.844 1215 G HN -0.154 nan 8.290 nan 0.000 0.478 1216 P HA 0.060 nan 4.420 nan 0.000 0.238 1216 P C -0.425 176.063 177.300 -1.355 0.000 1.434 1216 P CA 0.024 62.351 63.100 -1.288 0.000 1.292 1216 P CB -0.042 30.924 31.700 -1.225 0.000 1.804 1217 D N 2.523 122.435 120.400 -0.814 0.000 2.502 1217 D HA -0.072 4.570 4.640 0.003 0.000 0.249 1217 D C -0.370 175.494 176.300 -0.725 0.000 1.188 1217 D CA 0.501 54.137 54.000 -0.606 0.000 0.890 1217 D CB -0.040 40.572 40.800 -0.314 0.000 1.140 1217 D HN 0.026 nan 8.370 nan 0.000 0.505 1218 F N 4.399 124.131 119.950 -0.364 0.000 2.378 1218 F HA 0.317 4.846 4.527 0.003 0.000 0.325 1218 F C -0.874 174.720 175.800 -0.344 0.000 1.097 1218 F CA -2.394 55.301 58.000 -0.508 0.000 1.079 1218 F CB 0.983 39.730 39.000 -0.421 0.000 1.240 1218 F HN 0.304 nan 8.300 nan 0.000 0.519 1219 P HA 0.010 nan 4.420 nan 0.000 0.253 1219 P C 0.430 177.787 177.300 0.095 0.000 1.281 1219 P CA 0.780 63.847 63.100 -0.055 0.000 0.792 1219 P CB -0.290 31.382 31.700 -0.045 0.000 1.193 1220 T N -4.753 109.886 114.554 0.142 0.000 2.975 1220 T HA 0.556 4.908 4.350 0.003 0.000 0.257 1220 T C 1.036 175.798 174.700 0.102 0.000 1.003 1220 T CA 0.403 62.594 62.100 0.151 0.000 0.932 1220 T CB 0.179 69.158 68.868 0.185 0.000 1.087 1220 T HN 0.205 nan 8.240 nan 0.000 0.512 1221 A N 1.314 124.190 122.820 0.095 0.000 5.351 1221 A HA 0.265 4.587 4.320 0.003 0.000 0.289 1221 A C 1.366 179.013 177.584 0.105 0.000 2.064 1221 A CA 1.037 53.110 52.037 0.060 0.000 0.716 1221 A CB -1.793 17.225 19.000 0.030 0.000 1.202 1221 A HN 2.225 nan 8.150 nan 0.000 0.357 1222 G N -2.855 105.981 108.800 0.060 0.000 2.445 1222 G HA2 0.387 4.349 3.960 0.003 0.000 0.212 1222 G HA3 0.387 4.349 3.960 0.003 0.000 0.212 1222 G C -0.547 174.372 174.900 0.032 0.000 1.217 1222 G CA 0.323 45.454 45.100 0.052 0.000 1.002 1222 G HN 2.058 nan 8.290 nan 0.000 0.574 1223 L N 0.040 121.276 121.223 0.022 0.000 2.409 1223 L HA 0.784 5.126 4.340 0.003 0.000 0.262 1223 L C 0.180 177.054 176.870 0.006 0.000 0.992 1223 L CA -0.778 54.062 54.840 0.001 0.000 0.817 1223 L CB 2.146 44.193 42.059 -0.020 0.000 1.350 1223 L HN 0.675 nan 8.230 nan 0.000 0.411 1224 I N 1.762 122.329 120.570 -0.006 0.000 2.750 1224 I HA 0.475 4.647 4.170 0.003 0.000 0.308 1224 I C -0.783 175.318 176.117 -0.027 0.000 1.016 1224 I CA -0.854 60.441 61.300 -0.008 0.000 1.098 1224 I CB 1.941 39.927 38.000 -0.023 0.000 1.279 1224 I HN 0.316 nan 8.210 nan 0.000 0.454 1225 L N 2.774 123.980 121.223 -0.028 0.000 2.322 1225 L HA 0.584 4.926 4.340 0.003 0.000 0.279 1225 L C 0.980 177.835 176.870 -0.024 0.000 1.036 1225 L CA -0.042 54.784 54.840 -0.023 0.000 0.807 1225 L CB 1.208 43.255 42.059 -0.021 0.000 1.226 1225 L HN 0.945 nan 8.230 nan 0.000 0.433 1226 G N 2.508 111.297 108.800 -0.020 0.000 2.594 1226 G HA2 -0.330 3.632 3.960 0.003 0.000 0.297 1226 G HA3 -0.330 3.632 3.960 0.003 0.000 0.297 1226 G C 0.467 175.342 174.900 -0.041 0.000 1.273 1226 G CA 0.792 45.878 45.100 -0.024 0.000 0.974 1226 G HN 0.768 nan 8.290 nan 0.000 0.552 1227 K N -0.879 119.491 120.400 -0.049 0.000 2.464 1227 K HA 0.111 4.433 4.320 0.003 0.000 0.181 1227 K C 2.312 178.864 176.600 -0.079 0.000 1.786 1227 K CA 0.836 57.078 56.287 -0.074 0.000 1.021 1227 K CB 0.032 32.497 32.500 -0.059 0.000 1.603 1227 K HN 0.513 nan 8.250 nan 0.000 0.570 1228 S N 1.109 116.778 115.700 -0.052 0.000 2.378 1228 S HA -0.184 4.287 4.470 0.003 0.000 0.221 1228 S C 2.131 176.698 174.600 -0.055 0.000 1.037 1228 S CA 1.687 59.862 58.200 -0.042 0.000 1.069 1228 S CB -1.138 62.047 63.200 -0.024 0.000 1.006 1228 S HN 0.409 nan 8.310 nan 0.000 0.423 1229 G N 2.041 110.809 108.800 -0.053 0.000 2.440 1229 G HA2 -0.141 3.821 3.960 0.003 0.000 0.218 1229 G HA3 -0.141 3.821 3.960 0.003 0.000 0.218 1229 G C 1.401 176.235 174.900 -0.111 0.000 1.154 1229 G CA 1.024 46.092 45.100 -0.053 0.000 0.767 1229 G HN 0.523 nan 8.290 nan 0.000 0.552 1230 I N 0.195 120.655 120.570 -0.183 0.000 2.143 1230 I HA -0.317 3.855 4.170 0.003 0.000 0.245 1230 I C 2.854 178.685 176.117 -0.477 0.000 1.068 1230 I CA 1.878 62.936 61.300 -0.403 0.000 1.326 1230 I CB -0.273 37.470 38.000 -0.429 0.000 1.028 1230 I HN 0.165 nan 8.210 nan 0.000 0.412 1231 R N 0.555 120.913 120.500 -0.237 0.000 2.148 1231 R HA -0.148 4.194 4.340 0.003 0.000 0.227 1231 R C 2.446 178.738 176.300 -0.013 0.000 1.103 1231 R CA 1.051 57.096 56.100 -0.091 0.000 0.983 1231 R CB -0.115 30.167 30.300 -0.031 0.000 0.874 1231 R HN 0.262 nan 8.270 nan 0.000 0.451 1232 R N -0.582 119.899 120.500 -0.031 0.000 2.161 1232 R HA 0.040 4.382 4.340 0.003 0.000 0.213 1232 R C 1.737 178.062 176.300 0.042 0.000 1.055 1232 R CA 1.039 57.146 56.100 0.012 0.000 0.996 1232 R CB 0.019 30.321 30.300 0.004 0.000 0.901 1232 R HN 0.228 nan 8.270 nan 0.000 0.456 1233 A N -0.096 122.735 122.820 0.019 0.000 2.016 1233 A HA -0.078 4.244 4.320 0.003 0.000 0.217 1233 A C 1.400 179.135 177.584 0.252 0.000 1.162 1233 A CA 0.629 52.724 52.037 0.097 0.000 0.662 1233 A CB -0.301 18.738 19.000 0.065 0.000 0.812 1233 A HN 0.323 nan 8.150 nan 0.000 0.450 1234 Y N -0.239 120.090 120.300 0.049 0.000 2.314 1234 Y HA 0.050 4.602 4.550 0.003 0.000 0.294 1234 Y C 2.405 178.323 175.900 0.029 0.000 1.119 1234 Y CA 0.700 58.825 58.100 0.041 0.000 1.179 1234 Y CB -0.383 38.099 38.460 0.035 0.000 1.025 1234 Y HN 0.308 nan 8.280 nan 0.000 0.541 1235 E N -0.561 119.755 120.200 0.194 0.000 2.158 1235 E HA -0.090 4.261 4.350 0.003 0.000 0.191 1235 E C 1.912 178.561 176.600 0.082 0.000 0.982 1235 E CA 1.683 58.151 56.400 0.114 0.000 0.823 1235 E CB 0.111 29.860 29.700 0.081 0.000 0.766 1235 E HN 0.529 nan 8.360 nan 0.000 0.468 1236 T N -4.769 109.834 114.554 0.082 0.000 2.954 1236 T HA 0.310 4.662 4.350 0.003 0.000 0.252 1236 T C 1.353 176.092 174.700 0.065 0.000 0.983 1236 T CA 1.037 63.174 62.100 0.061 0.000 0.941 1236 T CB 1.058 69.954 68.868 0.048 0.000 1.141 1236 T HN 0.175 nan 8.240 nan 0.000 0.500 1237 G N 0.680 109.534 108.800 0.090 0.000 2.218 1237 G HA2 0.235 4.197 3.960 0.003 0.000 0.216 1237 G HA3 0.235 4.197 3.960 0.003 0.000 0.216 1237 G C 0.237 175.195 174.900 0.097 0.000 0.994 1237 G CA 0.183 45.340 45.100 0.094 0.000 0.637 1237 G HN 1.075 nan 8.290 nan 0.000 0.505 1238 R N -0.371 120.177 120.500 0.080 0.000 2.698 1238 R HA 1.033 5.375 4.340 0.003 0.000 0.275 1238 R C 0.337 176.669 176.300 0.054 0.000 1.001 1238 R CA 0.744 56.884 56.100 0.066 0.000 0.896 1238 R CB 1.413 31.738 30.300 0.043 0.000 1.218 1238 R HN 2.239 nan 8.270 nan 0.000 0.462 1239 G N -0.215 108.616 108.800 0.050 0.000 2.328 1239 G HA2 0.467 4.429 3.960 0.003 0.000 0.299 1239 G HA3 0.467 4.429 3.960 0.003 0.000 0.299 1239 G C -1.144 173.783 174.900 0.044 0.000 1.435 1239 G CA 0.034 45.155 45.100 0.035 0.000 0.865 1239 G HN 0.966 nan 8.290 nan 0.000 0.601 1240 S N -1.004 114.715 115.700 0.032 0.000 2.578 1240 S HA 0.849 5.321 4.470 0.003 0.000 0.301 1240 S C -0.400 174.229 174.600 0.048 0.000 1.091 1240 S CA -0.488 57.739 58.200 0.046 0.000 1.032 1240 S CB 1.293 64.508 63.200 0.024 0.000 1.064 1240 S HN 0.565 nan 8.310 nan 0.000 0.508 1241 I N 2.358 122.980 120.570 0.088 0.000 2.569 1241 I HA 0.293 4.465 4.170 0.003 0.000 0.290 1241 I C -0.797 175.375 176.117 0.091 0.000 1.088 1241 I CA -0.736 60.612 61.300 0.081 0.000 1.047 1241 I CB 1.969 40.040 38.000 0.119 0.000 1.237 1241 I HN 0.337 nan 8.210 nan 0.000 0.421 1242 Q N 6.824 126.651 119.800 0.045 0.000 2.267 1242 Q HA 0.571 4.913 4.340 0.003 0.000 0.255 1242 Q C -0.820 175.194 176.000 0.025 0.000 0.923 1242 Q CA -0.042 55.774 55.803 0.022 0.000 0.925 1242 Q CB 1.964 30.696 28.738 -0.010 0.000 1.195 1242 Q HN 0.564 nan 8.270 nan 0.000 0.417 1243 M N 1.221 120.823 119.600 0.004 0.000 2.528 1243 M HA 0.815 5.297 4.480 0.003 0.000 0.321 1243 M C 0.142 176.364 176.300 -0.130 0.000 1.153 1243 M CA -0.721 54.572 55.300 -0.011 0.000 0.951 1243 M CB 2.025 34.628 32.600 0.006 0.000 1.705 1243 M HN 0.597 nan 8.290 nan 0.000 0.451 1244 R N 0.651 121.049 120.500 -0.171 0.000 2.707 1244 R HA 0.748 5.090 4.340 0.003 0.000 0.272 1244 R C -1.044 175.142 176.300 -0.190 0.000 1.011 1244 R CA -1.013 54.884 56.100 -0.339 0.000 0.893 1244 R CB 1.005 30.868 30.300 -0.728 0.000 1.233 1244 R HN 0.799 nan 8.270 nan 0.000 0.464 1245 S N 1.397 117.009 115.700 -0.147 0.000 2.505 1245 S HA 0.266 4.738 4.470 0.003 0.000 0.276 1245 S C 0.362 174.979 174.600 0.029 0.000 1.274 1245 S CA -0.597 57.591 58.200 -0.021 0.000 1.053 1245 S CB 0.801 64.018 63.200 0.028 0.000 0.919 1245 S HN 0.612 nan 8.310 nan 0.000 0.490 1246 R N 2.396 122.912 120.500 0.026 0.000 2.474 1246 R HA 0.258 4.600 4.340 0.003 0.000 0.339 1246 R C -0.412 175.922 176.300 0.057 0.000 1.033 1246 R CA 0.077 56.202 56.100 0.043 0.000 0.997 1246 R CB -0.574 29.742 30.300 0.028 0.000 0.963 1246 R HN 0.738 nan 8.270 nan 0.000 0.438 1247 A N 4.837 127.712 122.820 0.091 0.000 2.319 1247 A HA 0.394 4.716 4.320 0.003 0.000 0.310 1247 A C -0.644 176.976 177.584 0.061 0.000 1.152 1247 A CA -0.775 51.308 52.037 0.077 0.000 0.783 1247 A CB 1.420 20.483 19.000 0.105 0.000 1.184 1247 A HN 0.612 nan 8.150 nan 0.000 0.474 1248 V N 2.209 122.144 119.914 0.035 0.000 2.394 1248 V HA 0.605 4.727 4.120 0.003 0.000 0.282 1248 V C -0.154 175.946 176.094 0.010 0.000 1.031 1248 V CA -0.626 61.688 62.300 0.023 0.000 0.881 1248 V CB 0.866 32.699 31.823 0.018 0.000 0.982 1248 V HN 0.630 nan 8.190 nan 0.000 0.451 1249 I N 6.244 126.816 120.570 0.002 0.000 2.406 1249 I HA 0.312 4.483 4.170 0.003 0.000 0.293 1249 I C 0.765 176.879 176.117 -0.006 0.000 1.101 1249 I CA 0.221 61.516 61.300 -0.008 0.000 1.334 1249 I CB 0.035 38.025 38.000 -0.018 0.000 1.421 1249 I HN 0.984 nan 8.210 nan 0.000 0.513 1250 E N 7.283 127.479 120.200 -0.005 0.000 2.538 1250 E HA 0.577 4.929 4.350 0.003 0.000 0.232 1250 E C -0.898 175.699 176.600 -0.006 0.000 0.830 1250 E CA -0.919 55.478 56.400 -0.005 0.000 0.916 1250 E CB 1.191 30.890 29.700 -0.002 0.000 1.567 1250 E HN 0.566 nan 8.360 nan 0.000 0.389 1251 E N -1.485 118.712 120.200 -0.005 0.000 2.320 1251 E HA 0.621 4.973 4.350 0.003 0.000 0.264 1251 E C 0.060 176.657 176.600 -0.005 0.000 0.923 1251 E CA -0.899 55.498 56.400 -0.006 0.000 0.796 1251 E CB 1.786 31.483 29.700 -0.005 0.000 1.262 1251 E HN 0.563 nan 8.360 nan 0.000 0.428 1252 R N 0.898 121.395 120.500 -0.005 0.000 2.453 1252 R HA 0.399 4.741 4.340 0.003 0.000 0.233 1252 R C 0.755 177.052 176.300 -0.004 0.000 0.895 1252 R CA 0.737 56.834 56.100 -0.005 0.000 1.028 1252 R CB 0.258 30.554 30.300 -0.006 0.000 1.255 1252 R HN 1.238 nan 8.270 nan 0.000 0.571 1253 G N -2.588 106.209 108.800 -0.004 0.000 2.640 1253 G HA2 0.441 4.403 3.960 0.003 0.000 0.686 1253 G HA3 0.441 4.403 3.960 0.003 0.000 0.686 1253 G C 0.841 175.738 174.900 -0.004 0.000 1.229 1253 G CA 0.431 45.529 45.100 -0.004 0.000 0.796 1253 G HN 1.758 nan 8.290 nan 0.000 0.654 1254 G N -0.706 108.092 108.800 -0.004 0.000 2.143 1254 G HA2 0.387 4.349 3.960 0.003 0.000 0.249 1254 G HA3 0.387 4.349 3.960 0.003 0.000 0.249 1254 G C 1.947 176.844 174.900 -0.005 0.000 0.981 1254 G CA 1.044 46.141 45.100 -0.004 0.000 0.665 1254 G HN 3.110 nan 8.290 nan 0.000 0.528 1255 G N -1.139 107.658 108.800 -0.005 0.000 2.245 1255 G HA2 -0.319 3.643 3.960 0.003 0.000 0.264 1255 G HA3 -0.319 3.643 3.960 0.003 0.000 0.264 1255 G C 0.623 175.519 174.900 -0.006 0.000 0.985 1255 G CA 1.291 46.388 45.100 -0.005 0.000 0.625 1255 G HN 0.995 nan 8.290 nan 0.000 0.536 1256 R N 0.413 120.909 120.500 -0.006 0.000 2.679 1256 R HA 0.573 4.915 4.340 0.003 0.000 0.269 1256 R C 0.686 176.981 176.300 -0.008 0.000 1.076 1256 R CA 0.202 56.297 56.100 -0.007 0.000 1.160 1256 R CB 0.368 30.663 30.300 -0.007 0.000 1.054 1256 R HN 0.503 nan 8.270 nan 0.000 0.507 1257 Q N 0.564 120.359 119.800 -0.010 0.000 2.572 1257 Q HA 0.581 4.923 4.340 0.003 0.000 0.284 1257 Q C -0.741 175.251 176.000 -0.012 0.000 1.091 1257 Q CA -1.029 54.768 55.803 -0.011 0.000 0.840 1257 Q CB 2.578 31.308 28.738 -0.013 0.000 1.433 1257 Q HN 0.595 nan 8.270 nan 0.000 0.471 1258 R N -0.956 119.536 120.500 -0.013 0.000 2.774 1258 R HA 0.522 4.864 4.340 0.003 0.000 0.279 1258 R C -1.673 174.618 176.300 -0.015 0.000 1.022 1258 R CA -0.704 55.388 56.100 -0.014 0.000 0.855 1258 R CB 0.355 30.648 30.300 -0.011 0.000 1.279 1258 R HN 0.518 nan 8.270 nan 0.000 0.485 1259 I N 0.839 121.400 120.570 -0.016 0.000 2.750 1259 I HA 0.708 4.880 4.170 0.003 0.000 0.308 1259 I C -0.286 175.829 176.117 -0.004 0.000 1.016 1259 I CA -1.356 59.937 61.300 -0.013 0.000 1.098 1259 I CB 2.144 40.131 38.000 -0.021 0.000 1.279 1259 I HN 0.428 nan 8.210 nan 0.000 0.454 1260 V N 2.328 122.244 119.914 0.004 0.000 3.114 1260 V HA 0.641 4.763 4.120 0.003 0.000 0.308 1260 V C -0.751 175.354 176.094 0.018 0.000 1.168 1260 V CA -0.845 61.459 62.300 0.007 0.000 1.015 1260 V CB 2.056 33.881 31.823 0.004 0.000 1.050 1260 V HN 0.453 nan 8.190 nan 0.000 0.433 1261 V N 0.441 120.364 119.914 0.015 0.000 2.525 1261 V HA 0.448 4.570 4.120 0.003 0.000 0.299 1261 V C 0.798 176.899 176.094 0.011 0.000 1.034 1261 V CA 0.196 62.509 62.300 0.022 0.000 0.863 1261 V CB 1.303 33.142 31.823 0.028 0.000 0.999 1261 V HN 1.073 nan 8.190 nan 0.000 0.423 1262 T N 0.705 115.268 114.554 0.015 0.000 3.044 1262 T HA 0.300 4.652 4.350 0.003 0.000 0.255 1262 T C 0.368 175.073 174.700 0.010 0.000 1.073 1262 T CA 0.255 62.361 62.100 0.010 0.000 1.125 1262 T CB 0.361 69.237 68.868 0.012 0.000 0.908 1262 T HN 0.671 nan 8.240 nan 0.000 0.480 1263 E N 0.455 120.664 120.200 0.014 0.000 2.408 1263 E HA 0.720 5.072 4.350 0.003 0.000 0.275 1263 E C -1.067 175.539 176.600 0.010 0.000 0.935 1263 E CA -1.036 55.373 56.400 0.015 0.000 0.775 1263 E CB 2.831 32.544 29.700 0.022 0.000 1.277 1263 E HN 0.459 nan 8.360 nan 0.000 0.455 1264 I N -2.867 117.707 120.570 0.005 0.000 3.191 1264 I HA 0.655 4.827 4.170 0.003 0.000 0.313 1264 I C -2.813 173.291 176.117 -0.021 0.000 1.193 1264 I CA -3.063 58.229 61.300 -0.013 0.000 0.968 1264 I CB 2.261 40.245 38.000 -0.027 0.000 1.262 1264 I HN 0.204 nan 8.210 nan 0.000 0.456 1265 P HA 0.091 nan 4.420 nan 0.000 0.267 1265 P C -0.530 176.690 177.300 -0.133 0.000 1.209 1265 P CA 0.194 63.236 63.100 -0.095 0.000 0.763 1265 P CB 0.050 31.688 31.700 -0.104 0.000 0.816 1266 F N 3.875 123.534 119.950 -0.485 0.000 2.613 1266 F HA -0.159 4.370 4.527 0.003 0.000 0.373 1266 F C 1.216 176.832 175.800 -0.306 0.000 1.085 1266 F CA 0.790 58.443 58.000 -0.578 0.000 1.309 1266 F CB -0.323 37.731 39.000 -1.576 0.000 0.986 1266 F HN 0.543 nan 8.300 nan 0.000 0.592 1267 Q N 1.273 120.609 119.800 -0.772 0.000 2.463 1267 Q HA -0.151 4.191 4.340 0.003 0.000 0.299 1267 Q C -1.297 174.537 176.000 -0.278 0.000 1.353 1267 Q CA 0.487 55.936 55.803 -0.590 0.000 0.828 1267 Q CB -1.537 26.761 28.738 -0.732 0.000 1.157 1267 Q HN 0.407 nan 8.270 nan 0.000 0.436 1268 V N 1.046 120.849 119.914 -0.185 0.000 2.604 1268 V HA 0.324 4.446 4.120 0.003 0.000 0.305 1268 V C 0.260 176.288 176.094 -0.110 0.000 1.043 1268 V CA -0.810 61.413 62.300 -0.129 0.000 0.888 1268 V CB 1.959 33.718 31.823 -0.106 0.000 0.995 1268 V HN 0.269 nan 8.190 nan 0.000 0.429 1269 N N 3.727 122.372 118.700 -0.092 0.000 3.083 1269 N HA 0.138 4.879 4.740 0.003 0.000 0.260 1269 N C 0.974 176.439 175.510 -0.075 0.000 1.163 1269 N CA -0.093 52.906 53.050 -0.084 0.000 1.060 1269 N CB 0.383 38.830 38.487 -0.066 0.000 1.345 1269 N HN 0.776 nan 8.380 nan 0.000 0.515 1270 K N 2.489 122.836 120.400 -0.089 0.000 2.007 1270 K HA -0.338 3.984 4.320 0.003 0.000 0.231 1270 K C 1.614 178.180 176.600 -0.056 0.000 1.044 1270 K CA 2.594 58.837 56.287 -0.074 0.000 0.996 1270 K CB -0.367 32.079 32.500 -0.089 0.000 0.738 1270 K HN 0.412 nan 8.250 nan 0.000 0.447 1271 A N 0.689 123.474 122.820 -0.058 0.000 1.985 1271 A HA -0.318 4.003 4.320 0.003 0.000 0.223 1271 A C 2.199 179.763 177.584 -0.033 0.000 1.189 1271 A CA 2.405 54.417 52.037 -0.042 0.000 0.658 1271 A CB -0.797 18.179 19.000 -0.040 0.000 0.820 1271 A HN 0.607 nan 8.150 nan 0.000 0.464 1272 R N -1.455 119.023 120.500 -0.037 0.000 2.051 1272 R HA 0.025 4.367 4.340 0.003 0.000 0.225 1272 R C 2.319 178.603 176.300 -0.027 0.000 1.155 1272 R CA 1.331 57.413 56.100 -0.030 0.000 0.945 1272 R CB -0.424 29.855 30.300 -0.034 0.000 0.840 1272 R HN 0.492 nan 8.270 nan 0.000 0.432 1273 M N 0.566 120.147 119.600 -0.031 0.000 2.190 1273 M HA -0.301 4.181 4.480 0.003 0.000 0.252 1273 M C 1.996 178.286 176.300 -0.017 0.000 1.076 1273 M CA 2.060 57.345 55.300 -0.024 0.000 1.079 1273 M CB -0.251 32.333 32.600 -0.028 0.000 1.303 1273 M HN 0.354 nan 8.290 nan 0.000 0.412 1274 I N -0.714 119.844 120.570 -0.020 0.000 2.676 1274 I HA -0.206 3.965 4.170 0.003 0.000 0.259 1274 I C 2.030 178.139 176.117 -0.013 0.000 1.194 1274 I CA 0.884 62.175 61.300 -0.016 0.000 1.473 1274 I CB -0.294 37.694 38.000 -0.019 0.000 1.096 1274 I HN 0.347 nan 8.210 nan 0.000 0.443 1275 E N 1.034 121.226 120.200 -0.014 0.000 2.385 1275 E HA -0.094 4.257 4.350 0.003 0.000 0.194 1275 E C 1.949 178.543 176.600 -0.009 0.000 1.013 1275 E CA 0.934 57.327 56.400 -0.010 0.000 0.866 1275 E CB 0.166 29.859 29.700 -0.011 0.000 0.832 1275 E HN 0.225 nan 8.360 nan 0.000 0.500 1276 K N -0.191 120.203 120.400 -0.010 0.000 2.067 1276 K HA 0.122 4.444 4.320 0.003 0.000 0.203 1276 K C 1.951 178.547 176.600 -0.006 0.000 1.048 1276 K CA 0.816 57.098 56.287 -0.008 0.000 0.954 1276 K CB -0.006 32.489 32.500 -0.009 0.000 0.737 1276 K HN 0.151 nan 8.250 nan 0.000 0.444 1277 I N 1.005 121.572 120.570 -0.005 0.000 2.335 1277 I HA -0.256 3.916 4.170 0.003 0.000 0.251 1277 I C 2.095 178.209 176.117 -0.005 0.000 1.129 1277 I CA 1.162 62.460 61.300 -0.004 0.000 1.402 1277 I CB -0.252 37.746 38.000 -0.003 0.000 1.069 1277 I HN 0.153 nan 8.210 nan 0.000 0.424 1278 A N -0.502 122.315 122.820 -0.006 0.000 2.218 1278 A HA -0.082 4.240 4.320 0.003 0.000 0.209 1278 A C 2.240 179.821 177.584 -0.005 0.000 1.168 1278 A CA 0.419 52.452 52.037 -0.005 0.000 0.804 1278 A CB -0.290 18.707 19.000 -0.005 0.000 0.834 1278 A HN 0.414 nan 8.150 nan 0.000 0.482 1279 E N 0.152 120.349 120.200 -0.005 0.000 2.250 1279 E HA -0.030 4.322 4.350 0.003 0.000 0.192 1279 E C 1.585 178.182 176.600 -0.004 0.000 0.986 1279 E CA 0.394 56.791 56.400 -0.004 0.000 0.849 1279 E CB -0.032 29.665 29.700 -0.005 0.000 0.797 1279 E HN 0.656 nan 8.360 nan 0.000 0.482 1280 L N 0.215 121.436 121.223 -0.005 0.000 2.034 1280 L HA -0.091 4.251 4.340 0.003 0.000 0.203 1280 L C 2.614 179.481 176.870 -0.005 0.000 1.074 1280 L CA 0.579 55.416 54.840 -0.005 0.000 0.748 1280 L CB -0.772 41.285 42.059 -0.004 0.000 0.905 1280 L HN -0.021 nan 8.230 nan 0.000 0.439 1281 V N 0.325 120.235 119.914 -0.006 0.000 2.231 1281 V HA -0.357 3.765 4.120 0.003 0.000 0.248 1281 V C 2.755 178.846 176.094 -0.005 0.000 1.054 1281 V CA 2.234 64.530 62.300 -0.006 0.000 1.015 1281 V CB -0.695 31.124 31.823 -0.007 0.000 0.638 1281 V HN 0.441 nan 8.190 nan 0.000 0.444 1282 R N -0.005 120.492 120.500 -0.004 0.000 2.122 1282 R HA -0.245 4.097 4.340 0.003 0.000 0.236 1282 R C 2.151 178.449 176.300 -0.003 0.000 1.129 1282 R CA 2.465 58.563 56.100 -0.003 0.000 0.925 1282 R CB -0.625 29.673 30.300 -0.003 0.000 0.850 1282 R HN 0.534 nan 8.270 nan 0.000 0.431 1283 D N 0.424 120.822 120.400 -0.003 0.000 2.271 1283 D HA -0.131 4.511 4.640 0.003 0.000 0.207 1283 D C -0.093 176.205 176.300 -0.004 0.000 0.983 1283 D CA 1.219 55.217 54.000 -0.003 0.000 0.878 1283 D CB 0.102 40.900 40.800 -0.003 0.000 0.920 1283 D HN 0.279 nan 8.370 nan 0.000 0.479 1284 K N -0.681 119.716 120.400 -0.004 0.000 3.414 1284 K HA -0.125 4.197 4.320 0.003 0.000 0.277 1284 K C 0.073 176.670 176.600 -0.005 0.000 1.160 1284 K CA 0.220 56.504 56.287 -0.005 0.000 0.832 1284 K CB -1.328 31.169 32.500 -0.004 0.000 1.326 1284 K HN 0.264 nan 8.250 nan 0.000 0.466 1285 K N 0.090 120.487 120.400 -0.006 0.000 2.438 1285 K HA 0.362 4.684 4.320 0.003 0.000 0.206 1285 K C 0.502 177.097 176.600 -0.007 0.000 1.081 1285 K CA -0.030 56.254 56.287 -0.006 0.000 1.053 1285 K CB 0.853 33.350 32.500 -0.005 0.000 0.908 1285 K HN 0.351 nan 8.250 nan 0.000 0.556 1286 I N 1.367 121.932 120.570 -0.009 0.000 2.961 1286 I HA 0.099 4.271 4.170 0.003 0.000 0.303 1286 I C -2.225 173.885 176.117 -0.012 0.000 1.505 1286 I CA -0.751 60.542 61.300 -0.011 0.000 0.964 1286 I CB 2.352 40.344 38.000 -0.014 0.000 1.348 1286 I HN 0.037 nan 8.210 nan 0.000 0.508 1287 D N 2.214 122.605 120.400 -0.014 0.000 2.610 1287 D HA 0.608 5.250 4.640 0.003 0.000 0.271 1287 D C 0.187 176.478 176.300 -0.016 0.000 1.174 1287 D CA 0.105 54.097 54.000 -0.013 0.000 0.949 1287 D CB 1.615 42.408 40.800 -0.012 0.000 1.430 1287 D HN 0.969 nan 8.370 nan 0.000 0.467 1288 G N -0.598 108.193 108.800 -0.015 0.000 2.130 1288 G HA2 -0.112 3.850 3.960 0.003 0.000 0.216 1288 G HA3 -0.112 3.850 3.960 0.003 0.000 0.216 1288 G C -0.336 174.554 174.900 -0.018 0.000 0.999 1288 G CA 0.206 45.296 45.100 -0.017 0.000 0.686 1288 G HN 0.571 nan 8.290 nan 0.000 0.515 1289 I N 0.452 121.013 120.570 -0.016 0.000 2.545 1289 I HA 0.526 4.698 4.170 0.003 0.000 0.292 1289 I C 1.255 177.365 176.117 -0.012 0.000 1.040 1289 I CA -0.316 60.974 61.300 -0.016 0.000 1.068 1289 I CB 2.181 40.172 38.000 -0.016 0.000 1.251 1289 I HN 0.131 nan 8.210 nan 0.000 0.424 1290 T N -1.256 113.292 114.554 -0.012 0.000 2.990 1290 T HA 0.220 4.572 4.350 0.003 0.000 0.249 1290 T C 0.168 174.863 174.700 -0.008 0.000 1.039 1290 T CA 0.135 62.229 62.100 -0.009 0.000 1.036 1290 T CB 0.271 69.133 68.868 -0.009 0.000 0.994 1290 T HN 0.538 nan 8.240 nan 0.000 0.489 1291 D N -0.330 120.064 120.400 -0.009 0.000 2.602 1291 D HA 0.580 5.221 4.640 0.003 0.000 0.236 1291 D C -2.083 174.211 176.300 -0.009 0.000 1.209 1291 D CA -0.779 53.216 54.000 -0.008 0.000 0.831 1291 D CB 2.310 43.105 40.800 -0.008 0.000 1.478 1291 D HN 0.084 nan 8.370 nan 0.000 0.438 1292 L N 2.457 123.675 121.223 -0.008 0.000 2.471 1292 L HA 0.525 4.866 4.340 0.003 0.000 0.263 1292 L C -0.944 175.920 176.870 -0.010 0.000 0.985 1292 L CA -0.123 54.712 54.840 -0.009 0.000 0.868 1292 L CB 0.861 42.915 42.059 -0.008 0.000 1.203 1292 L HN 0.378 nan 8.230 nan 0.000 0.429 1293 R N 1.786 122.279 120.500 -0.012 0.000 2.803 1293 R HA 0.510 4.852 4.340 0.003 0.000 0.276 1293 R C -1.229 175.060 176.300 -0.020 0.000 0.978 1293 R CA -0.956 55.135 56.100 -0.015 0.000 0.939 1293 R CB 2.039 32.330 30.300 -0.014 0.000 1.179 1293 R HN 0.325 nan 8.270 nan 0.000 0.472 1294 D N 1.650 122.034 120.400 -0.026 0.000 2.483 1294 D HA 0.092 4.734 4.640 0.003 0.000 0.281 1294 D C -0.454 175.820 176.300 -0.043 0.000 1.174 1294 D CA -0.214 53.766 54.000 -0.034 0.000 0.938 1294 D CB 0.700 41.477 40.800 -0.038 0.000 1.002 1294 D HN 0.468 nan 8.370 nan 0.000 0.501 1295 E N 0.631 120.808 120.200 -0.038 0.000 2.335 1295 E HA 0.049 4.401 4.350 0.003 0.000 0.191 1295 E C -0.124 176.444 176.600 -0.053 0.000 1.150 1295 E CA 0.226 56.600 56.400 -0.043 0.000 1.001 1295 E CB 0.217 29.898 29.700 -0.031 0.000 1.127 1295 E HN 0.216 nan 8.360 nan 0.000 0.462 1296 T N 1.325 115.842 114.554 -0.061 0.000 2.782 1296 T HA 0.136 4.487 4.350 0.003 0.000 0.298 1296 T C 0.354 174.999 174.700 -0.092 0.000 0.944 1296 T CA -0.419 61.640 62.100 -0.068 0.000 1.001 1296 T CB 0.611 69.438 68.868 -0.069 0.000 0.932 1296 T HN 0.157 nan 8.240 nan 0.000 0.524 1297 S N 3.600 119.244 115.700 -0.094 0.000 2.618 1297 S HA 0.554 5.026 4.470 0.003 0.000 0.284 1297 S C 1.314 175.860 174.600 -0.091 0.000 1.102 1297 S CA -1.034 57.091 58.200 -0.125 0.000 0.984 1297 S CB 0.490 63.602 63.200 -0.148 0.000 1.280 1297 S HN 0.440 nan 8.310 nan 0.000 0.525 1298 L N 0.405 121.574 121.223 -0.090 0.000 2.084 1298 L HA 0.050 4.392 4.340 0.003 0.000 0.202 1298 L C 2.831 179.683 176.870 -0.029 0.000 1.074 1298 L CA 0.948 55.760 54.840 -0.048 0.000 0.757 1298 L CB -0.377 41.660 42.059 -0.037 0.000 0.918 1298 L HN 0.569 nan 8.230 nan 0.000 0.444 1299 R N -0.587 119.895 120.500 -0.030 0.000 2.073 1299 R HA -0.105 4.237 4.340 0.003 0.000 0.234 1299 R C 2.045 178.336 176.300 -0.015 0.000 1.134 1299 R CA 1.879 57.971 56.100 -0.013 0.000 0.952 1299 R CB -1.671 28.627 30.300 -0.004 0.000 0.850 1299 R HN 0.197 nan 8.270 nan 0.000 0.433 1300 T N -0.072 114.466 114.554 -0.027 0.000 2.737 1300 T HA -0.005 4.347 4.350 0.003 0.000 0.269 1300 T C 1.112 175.800 174.700 -0.020 0.000 1.040 1300 T CA 1.489 63.574 62.100 -0.025 0.000 1.142 1300 T CB -0.782 68.063 68.868 -0.038 0.000 0.861 1300 T HN 0.682 nan 8.240 nan 0.000 0.456 1301 G N 0.197 108.983 108.800 -0.023 0.000 2.760 1301 G HA2 -0.167 3.795 3.960 0.003 0.000 0.246 1301 G HA3 -0.167 3.795 3.960 0.003 0.000 0.246 1301 G C -0.335 174.549 174.900 -0.027 0.000 1.359 1301 G CA -0.710 44.380 45.100 -0.018 0.000 0.861 1301 G HN 0.474 nan 8.290 nan 0.000 0.541 1302 V N 0.707 120.607 119.914 -0.024 0.000 2.694 1302 V HA 0.476 4.598 4.120 0.003 0.000 0.306 1302 V C 0.948 177.027 176.094 -0.025 0.000 1.054 1302 V CA 1.584 63.865 62.300 -0.032 0.000 1.161 1302 V CB 1.123 32.929 31.823 -0.028 0.000 0.916 1302 V HN 1.121 nan 8.190 nan 0.000 0.490 1303 R N 3.228 123.710 120.500 -0.030 0.000 3.008 1303 R HA 0.534 4.876 4.340 0.003 0.000 0.284 1303 R C -2.314 173.971 176.300 -0.024 0.000 1.187 1303 R CA -0.299 55.787 56.100 -0.023 0.000 1.139 1303 R CB 1.499 31.785 30.300 -0.023 0.000 1.273 1303 R HN 0.509 nan 8.270 nan 0.000 0.410 1304 V N 4.661 124.565 119.914 -0.016 0.000 2.735 1304 V HA 0.635 4.757 4.120 0.003 0.000 0.310 1304 V C -0.632 175.457 176.094 -0.008 0.000 1.061 1304 V CA -0.679 61.612 62.300 -0.015 0.000 0.913 1304 V CB 2.339 34.154 31.823 -0.013 0.000 1.005 1304 V HN 0.490 nan 8.190 nan 0.000 0.428 1305 V N 4.984 124.892 119.914 -0.010 0.000 2.540 1305 V HA 0.502 4.624 4.120 0.003 0.000 0.302 1305 V C -0.421 175.668 176.094 -0.009 0.000 1.035 1305 V CA -0.547 61.748 62.300 -0.008 0.000 0.873 1305 V CB 2.064 33.881 31.823 -0.010 0.000 0.992 1305 V HN 0.597 nan 8.190 nan 0.000 0.428 1306 I N 3.397 123.961 120.570 -0.010 0.000 2.417 1306 I HA 0.291 4.463 4.170 0.003 0.000 0.283 1306 I C 0.070 176.179 176.117 -0.014 0.000 1.121 1306 I CA -0.360 60.932 61.300 -0.013 0.000 1.211 1306 I CB 0.368 38.357 38.000 -0.017 0.000 1.492 1306 I HN 0.621 nan 8.210 nan 0.000 0.522 1307 D N 3.346 123.738 120.400 -0.012 0.000 2.506 1307 D HA 0.106 4.748 4.640 0.003 0.000 0.234 1307 D C 0.163 176.455 176.300 -0.013 0.000 1.143 1307 D CA 0.575 54.568 54.000 -0.012 0.000 0.871 1307 D CB 1.660 42.454 40.800 -0.010 0.000 1.190 1307 D HN 0.040 nan 8.370 nan 0.000 0.459 1308 V N 2.238 122.144 119.914 -0.014 0.000 2.914 1308 V HA 0.277 4.399 4.120 0.003 0.000 0.314 1308 V C 0.244 176.330 176.094 -0.013 0.000 1.084 1308 V CA -1.026 61.265 62.300 -0.015 0.000 0.963 1308 V CB 2.398 34.209 31.823 -0.019 0.000 1.025 1308 V HN 0.429 nan 8.190 nan 0.000 0.432 1309 R N 3.544 124.036 120.500 -0.013 0.000 2.399 1309 R HA 0.126 4.468 4.340 0.003 0.000 0.324 1309 R C 0.090 176.383 176.300 -0.011 0.000 1.030 1309 R CA -0.092 56.002 56.100 -0.011 0.000 0.984 1309 R CB 0.006 30.299 30.300 -0.011 0.000 0.961 1309 R HN 0.744 nan 8.270 nan 0.000 0.433 1310 K N 3.419 123.813 120.400 -0.010 0.000 2.561 1310 K HA -0.189 4.133 4.320 0.003 0.000 0.280 1310 K C -0.067 176.528 176.600 -0.010 0.000 0.975 1310 K CA 1.125 57.406 56.287 -0.010 0.000 1.024 1310 K CB 0.337 32.832 32.500 -0.008 0.000 0.883 1310 K HN 0.692 nan 8.250 nan 0.000 0.496 1311 D N -0.333 120.061 120.400 -0.010 0.000 2.332 1311 D HA -0.215 4.427 4.640 0.003 0.000 0.166 1311 D C -0.466 175.826 176.300 -0.012 0.000 1.574 1311 D CA 1.807 55.801 54.000 -0.011 0.000 1.598 1311 D CB -1.270 39.525 40.800 -0.009 0.000 1.354 1311 D HN 0.720 nan 8.370 nan 0.000 0.481 1312 A N 0.668 123.480 122.820 -0.013 0.000 2.546 1312 A HA 0.223 4.545 4.320 0.003 0.000 0.243 1312 A C 0.555 178.128 177.584 -0.019 0.000 1.063 1312 A CA 0.295 52.322 52.037 -0.016 0.000 0.757 1312 A CB 0.135 19.125 19.000 -0.016 0.000 0.991 1312 A HN 0.237 nan 8.150 nan 0.000 0.503 1313 N N 2.143 120.831 118.700 -0.021 0.000 2.416 1313 N HA 0.232 4.974 4.740 0.003 0.000 0.271 1313 N C 1.165 176.656 175.510 -0.032 0.000 1.245 1313 N CA 0.611 53.647 53.050 -0.025 0.000 0.940 1313 N CB 0.823 39.296 38.487 -0.024 0.000 1.175 1313 N HN 0.630 nan 8.380 nan 0.000 0.483 1314 A N 3.253 126.053 122.820 -0.033 0.000 1.858 1314 A HA -0.153 4.169 4.320 0.003 0.000 0.216 1314 A C 2.188 179.737 177.584 -0.060 0.000 1.190 1314 A CA 1.813 53.825 52.037 -0.042 0.000 0.617 1314 A CB -0.706 18.273 19.000 -0.036 0.000 0.827 1314 A HN 0.683 nan 8.150 nan 0.000 0.443 1315 S N -0.265 115.401 115.700 -0.057 0.000 2.380 1315 S HA -0.196 4.276 4.470 0.003 0.000 0.229 1315 S C 1.868 176.417 174.600 -0.086 0.000 1.043 1315 S CA 1.593 59.748 58.200 -0.074 0.000 1.038 1315 S CB -0.799 62.370 63.200 -0.053 0.000 0.872 1315 S HN 0.358 nan 8.310 nan 0.000 0.456 1316 V N 2.579 122.456 119.914 -0.062 0.000 2.214 1316 V HA -0.236 3.886 4.120 0.003 0.000 0.244 1316 V C 2.117 178.169 176.094 -0.071 0.000 1.045 1316 V CA 2.112 64.378 62.300 -0.058 0.000 0.993 1316 V CB -0.972 30.828 31.823 -0.039 0.000 0.633 1316 V HN 0.442 nan 8.190 nan 0.000 0.449 1317 I N -0.076 120.458 120.570 -0.060 0.000 2.121 1317 I HA -0.353 3.819 4.170 0.003 0.000 0.243 1317 I C 2.440 178.502 176.117 -0.091 0.000 1.047 1317 I CA 2.105 63.368 61.300 -0.061 0.000 1.308 1317 I CB -0.831 37.139 38.000 -0.050 0.000 1.015 1317 I HN 0.382 nan 8.210 nan 0.000 0.410 1318 L N 1.234 122.382 121.223 -0.125 0.000 1.994 1318 L HA -0.175 4.167 4.340 0.003 0.000 0.208 1318 L C 2.121 178.791 176.870 -0.332 0.000 1.071 1318 L CA 1.986 56.698 54.840 -0.214 0.000 0.745 1318 L CB -1.185 40.740 42.059 -0.224 0.000 0.892 1318 L HN 0.154 nan 8.230 nan 0.000 0.431 1319 N N 0.648 119.182 118.700 -0.277 0.000 2.258 1319 N HA -0.176 4.566 4.740 0.003 0.000 0.187 1319 N C 1.135 176.550 175.510 -0.159 0.000 1.012 1319 N CA 1.341 54.234 53.050 -0.261 0.000 0.870 1319 N CB -0.463 37.944 38.487 -0.132 0.000 0.977 1319 N HN 0.527 nan 8.380 nan 0.000 0.434 1320 N N -0.085 118.546 118.700 -0.114 0.000 2.322 1320 N HA 0.104 4.846 4.740 0.003 0.000 0.194 1320 N C 1.040 176.528 175.510 -0.038 0.000 1.126 1320 N CA 0.020 53.038 53.050 -0.053 0.000 0.845 1320 N CB 0.653 39.116 38.487 -0.040 0.000 0.976 1320 N HN 0.306 nan 8.380 nan 0.000 0.475 1321 L N -0.535 120.646 121.223 -0.069 0.000 2.286 1321 L HA 0.068 4.410 4.340 0.003 0.000 0.203 1321 L C 1.362 178.292 176.870 0.100 0.000 1.068 1321 L CA 0.377 55.211 54.840 -0.010 0.000 0.811 1321 L CB -0.182 41.856 42.059 -0.034 0.000 0.989 1321 L HN 0.038 nan 8.230 nan 0.000 0.467 1322 Y N 1.147 121.443 120.300 -0.007 0.000 2.556 1322 Y HA -0.208 4.344 4.550 0.003 0.000 0.290 1322 Y C 2.170 178.066 175.900 -0.006 0.000 1.149 1322 Y CA 0.670 58.767 58.100 -0.006 0.000 1.329 1322 Y CB -0.650 37.809 38.460 -0.002 0.000 0.975 1322 Y HN 0.226 nan 8.280 nan 0.000 0.561 1323 K N -0.805 119.675 120.400 0.133 0.000 2.367 1323 K HA 0.109 4.431 4.320 0.003 0.000 0.195 1323 K C 1.028 177.653 176.600 0.042 0.000 1.060 1323 K CA 0.324 56.655 56.287 0.073 0.000 1.022 1323 K CB 0.352 32.882 32.500 0.049 0.000 0.894 1323 K HN 0.356 nan 8.250 nan 0.000 0.540 1324 Q N 0.478 120.300 119.800 0.037 0.000 2.164 1324 Q HA 0.064 4.406 4.340 0.003 0.000 0.226 1324 Q C 0.199 176.209 176.000 0.017 0.000 0.813 1324 Q CA 0.150 55.965 55.803 0.019 0.000 0.978 1324 Q CB 1.594 30.337 28.738 0.009 0.000 1.149 1324 Q HN 0.197 nan 8.270 nan 0.000 0.489 1325 T N -3.919 110.652 114.554 0.028 0.000 2.804 1325 T HA 0.337 4.688 4.350 0.003 0.000 0.290 1325 T C -2.396 172.315 174.700 0.018 0.000 1.099 1325 T CA -1.713 60.398 62.100 0.019 0.000 1.011 1325 T CB 1.295 70.176 68.868 0.022 0.000 1.291 1325 T HN -0.370 nan 8.240 nan 0.000 0.523 1326 P HA -0.024 nan 4.420 nan 0.000 0.220 1326 P C 1.651 178.947 177.300 -0.008 0.000 1.144 1326 P CA 0.282 63.373 63.100 -0.014 0.000 0.800 1326 P CB -0.148 31.536 31.700 -0.026 0.000 0.772 1327 L N -0.857 120.382 121.223 0.026 0.000 2.211 1327 L HA -0.155 4.187 4.340 0.003 0.000 0.216 1327 L C 0.935 177.801 176.870 -0.006 0.000 1.092 1327 L CA 1.874 56.747 54.840 0.056 0.000 0.767 1327 L CB -0.808 41.347 42.059 0.160 0.000 0.894 1327 L HN 0.046 nan 8.230 nan 0.000 0.437 1328 Q N -0.983 118.811 119.800 -0.010 0.000 2.290 1328 Q HA 0.396 4.738 4.340 0.003 0.000 0.269 1328 Q C -0.966 175.008 176.000 -0.043 0.000 1.016 1328 Q CA -0.343 55.407 55.803 -0.088 0.000 0.754 1328 Q CB 1.335 30.006 28.738 -0.110 0.000 1.247 1328 Q HN 0.221 nan 8.270 nan 0.000 0.451 1329 T N 0.486 115.008 114.554 -0.053 0.000 2.718 1329 T HA 0.685 5.037 4.350 0.003 0.000 0.267 1329 T C -0.479 174.213 174.700 -0.014 0.000 0.957 1329 T CA -0.661 61.417 62.100 -0.036 0.000 1.025 1329 T CB 1.337 70.175 68.868 -0.049 0.000 1.355 1329 T HN 0.602 nan 8.240 nan 0.000 0.572 1330 S N -0.557 115.142 115.700 -0.000 0.000 2.595 1330 S HA 0.729 5.201 4.470 0.003 0.000 0.281 1330 S C -1.692 172.966 174.600 0.095 0.000 1.117 1330 S CA -0.852 57.375 58.200 0.046 0.000 0.873 1330 S CB 1.338 64.552 63.200 0.023 0.000 1.108 1330 S HN 0.513 nan 8.310 nan 0.000 0.477 1331 F N 2.075 122.042 119.950 0.027 0.000 2.334 1331 F HA 0.578 5.107 4.527 0.003 0.000 0.367 1331 F C 0.958 176.788 175.800 0.049 0.000 1.115 1331 F CA -0.377 57.658 58.000 0.059 0.000 1.116 1331 F CB 0.764 39.865 39.000 0.168 0.000 1.230 1331 F HN 0.919 nan 8.300 nan 0.000 0.484 1332 G N 6.133 114.770 108.800 -0.272 0.000 2.563 1332 G HA2 0.322 4.284 3.960 0.003 0.000 0.295 1332 G HA3 0.322 4.284 3.960 0.003 0.000 0.295 1332 G C -0.426 174.395 174.900 -0.133 0.000 0.874 1332 G CA -0.309 44.691 45.100 -0.168 0.000 1.642 1332 G HN 0.467 nan 8.290 nan 0.000 0.483 1333 V N 3.025 123.009 119.914 0.116 0.000 2.530 1333 V HA 0.278 4.400 4.120 0.003 0.000 0.282 1333 V C 0.807 176.974 176.094 0.121 0.000 1.048 1333 V CA -0.294 62.148 62.300 0.237 0.000 0.997 1333 V CB 1.329 33.331 31.823 0.299 0.000 0.987 1333 V HN 0.881 nan 8.190 nan 0.000 0.477 1334 N N 4.238 123.009 118.700 0.118 0.000 2.657 1334 N HA 0.094 4.836 4.740 0.003 0.000 0.234 1334 N C -0.092 175.460 175.510 0.069 0.000 1.433 1334 N CA -0.462 52.628 53.050 0.066 0.000 1.078 1334 N CB 0.257 38.756 38.487 0.019 0.000 1.508 1334 N HN 0.663 nan 8.380 nan 0.000 0.547 1335 M N 2.092 121.750 119.600 0.096 0.000 3.583 1335 M HA 0.053 4.535 4.480 0.003 0.000 0.177 1335 M C 0.123 176.443 176.300 0.033 0.000 1.792 1335 M CA 0.860 56.205 55.300 0.077 0.000 1.798 1335 M CB -0.869 31.779 32.600 0.081 0.000 1.315 1335 M HN 0.243 nan 8.290 nan 0.000 0.518 1336 I N 1.514 122.097 120.570 0.023 0.000 2.532 1336 I HA 0.629 4.801 4.170 0.003 0.000 0.292 1336 I C 0.387 176.498 176.117 -0.011 0.000 1.014 1336 I CA -0.417 60.883 61.300 -0.001 0.000 1.340 1336 I CB 1.345 39.343 38.000 -0.003 0.000 1.422 1336 I HN 0.590 nan 8.210 nan 0.000 0.528 1337 A N 5.733 128.533 122.820 -0.034 0.000 2.590 1337 A HA 0.452 4.774 4.320 0.003 0.000 0.294 1337 A C -1.113 176.428 177.584 -0.071 0.000 1.046 1337 A CA -0.725 51.283 52.037 -0.047 0.000 0.684 1337 A CB 0.788 19.755 19.000 -0.054 0.000 1.279 1337 A HN 0.577 nan 8.150 nan 0.000 0.415 1338 L N 1.705 122.888 121.223 -0.068 0.000 2.565 1338 L HA 0.246 4.588 4.340 0.003 0.000 0.275 1338 L C -0.353 176.451 176.870 -0.111 0.000 1.137 1338 L CA -0.209 54.586 54.840 -0.075 0.000 0.915 1338 L CB 0.324 42.350 42.059 -0.055 0.000 1.232 1338 L HN 0.431 nan 8.230 nan 0.000 0.473 1339 V N 4.952 124.784 119.914 -0.137 0.000 2.364 1339 V HA 0.130 4.252 4.120 0.003 0.000 0.272 1339 V C 0.429 176.466 176.094 -0.097 0.000 1.036 1339 V CA -0.672 61.511 62.300 -0.196 0.000 0.880 1339 V CB 1.114 32.749 31.823 -0.314 0.000 0.991 1339 V HN 0.908 nan 8.190 nan 0.000 0.460 1340 N N 4.785 123.452 118.700 -0.055 0.000 2.685 1340 N HA -0.274 4.468 4.740 0.003 0.000 0.251 1340 N C 1.228 176.725 175.510 -0.021 0.000 1.020 1340 N CA 1.375 54.417 53.050 -0.014 0.000 0.762 1340 N CB -1.115 37.382 38.487 0.017 0.000 0.958 1340 N HN 1.395 nan 8.380 nan 0.000 0.539 1341 G N -1.177 107.601 108.800 -0.035 0.000 2.241 1341 G HA2 -0.353 3.609 3.960 0.003 0.000 0.244 1341 G HA3 -0.353 3.609 3.960 0.003 0.000 0.244 1341 G C 0.031 174.911 174.900 -0.033 0.000 0.998 1341 G CA 0.299 45.381 45.100 -0.030 0.000 0.621 1341 G HN 0.544 nan 8.290 nan 0.000 0.519 1342 R N 1.327 121.805 120.500 -0.036 0.000 2.265 1342 R HA 0.419 4.760 4.340 0.003 0.000 0.314 1342 R C -2.785 173.488 176.300 -0.044 0.000 1.053 1342 R CA -1.731 54.349 56.100 -0.032 0.000 0.931 1342 R CB 0.841 31.127 30.300 -0.023 0.000 1.024 1342 R HN 0.123 nan 8.270 nan 0.000 0.457 1343 P HA 0.015 nan 4.420 nan 0.000 0.265 1343 P C -0.840 176.437 177.300 -0.038 0.000 1.222 1343 P CA 0.174 63.250 63.100 -0.039 0.000 0.767 1343 P CB 0.413 32.096 31.700 -0.030 0.000 0.801 1344 K N 4.159 124.528 120.400 -0.052 0.000 2.535 1344 K HA 0.326 4.648 4.320 0.003 0.000 0.253 1344 K C -0.707 175.872 176.600 -0.037 0.000 0.953 1344 K CA -0.977 55.281 56.287 -0.048 0.000 0.863 1344 K CB 0.592 33.046 32.500 -0.077 0.000 1.111 1344 K HN 0.272 nan 8.250 nan 0.000 0.431 1345 L N 7.784 128.998 121.223 -0.015 0.000 2.704 1345 L HA 0.180 4.522 4.340 0.003 0.000 0.279 1345 L C -0.491 176.382 176.870 0.004 0.000 1.147 1345 L CA 0.353 55.192 54.840 -0.001 0.000 0.994 1345 L CB -0.296 41.768 42.059 0.009 0.000 1.332 1345 L HN 0.570 nan 8.230 nan 0.000 0.471 1346 I N 1.938 122.509 120.570 0.001 0.000 2.750 1346 I HA 0.578 4.750 4.170 0.003 0.000 0.308 1346 I C -0.098 176.035 176.117 0.027 0.000 1.016 1346 I CA -1.032 60.274 61.300 0.011 0.000 1.098 1346 I CB 1.441 39.437 38.000 -0.008 0.000 1.279 1346 I HN 0.533 nan 8.210 nan 0.000 0.454 1347 N N 3.625 122.346 118.700 0.035 0.000 2.386 1347 N HA 0.105 4.847 4.740 0.003 0.000 0.291 1347 N C 0.553 176.066 175.510 0.005 0.000 1.309 1347 N CA -0.548 52.528 53.050 0.043 0.000 0.948 1347 N CB 0.176 38.690 38.487 0.046 0.000 1.083 1347 N HN 0.671 nan 8.380 nan 0.000 0.527 1348 L N 0.630 121.837 121.223 -0.027 0.000 1.960 1348 L HA -0.050 4.292 4.340 0.003 0.000 0.209 1348 L C 2.560 179.368 176.870 -0.103 0.000 1.090 1348 L CA 1.841 56.593 54.840 -0.147 0.000 0.759 1348 L CB -1.467 40.412 42.059 -0.300 0.000 0.892 1348 L HN 0.810 nan 8.230 nan 0.000 0.436 1349 K N -0.487 119.869 120.400 -0.072 0.000 2.034 1349 K HA -0.295 4.027 4.320 0.003 0.000 0.214 1349 K C 2.056 178.653 176.600 -0.004 0.000 1.051 1349 K CA 2.266 58.527 56.287 -0.044 0.000 0.931 1349 K CB -0.523 31.962 32.500 -0.026 0.000 0.715 1349 K HN 0.453 nan 8.250 nan 0.000 0.446 1350 E N 0.166 120.383 120.200 0.029 0.000 2.171 1350 E HA -0.242 4.110 4.350 0.003 0.000 0.197 1350 E C 1.764 178.495 176.600 0.218 0.000 0.997 1350 E CA 1.099 57.558 56.400 0.097 0.000 0.810 1350 E CB -0.170 29.605 29.700 0.125 0.000 0.738 1350 E HN 0.503 nan 8.360 nan 0.000 0.467 1351 A N 1.498 124.384 122.820 0.109 0.000 1.837 1351 A HA -0.236 4.086 4.320 0.003 0.000 0.216 1351 A C 2.294 179.944 177.584 0.110 0.000 1.210 1351 A CA 1.885 53.972 52.037 0.083 0.000 0.632 1351 A CB -1.142 17.835 19.000 -0.039 0.000 0.843 1351 A HN 0.314 nan 8.150 nan 0.000 0.448 1352 L N -0.381 120.858 121.223 0.027 0.000 2.103 1352 L HA -0.273 4.069 4.340 0.003 0.000 0.215 1352 L C 2.513 179.441 176.870 0.097 0.000 1.080 1352 L CA 1.518 56.388 54.840 0.050 0.000 0.764 1352 L CB -0.993 41.057 42.059 -0.015 0.000 0.890 1352 L HN 0.301 nan 8.230 nan 0.000 0.435 1353 V N -0.589 119.345 119.914 0.034 0.000 2.231 1353 V HA -0.360 3.762 4.120 0.003 0.000 0.248 1353 V C 2.491 178.542 176.094 -0.073 0.000 1.054 1353 V CA 2.114 64.380 62.300 -0.057 0.000 1.015 1353 V CB -0.887 30.835 31.823 -0.169 0.000 0.638 1353 V HN 0.500 nan 8.190 nan 0.000 0.444 1354 H N -2.159 116.930 119.070 0.032 0.000 2.489 1354 H HA -0.177 4.380 4.556 0.003 0.000 0.293 1354 H C 2.109 177.471 175.328 0.058 0.000 1.066 1354 H CA 2.170 58.236 56.048 0.029 0.000 1.305 1354 H CB -0.041 29.726 29.762 0.009 0.000 1.386 1354 H HN 0.628 nan 8.280 nan 0.000 0.551 1355 Y N 0.998 121.331 120.300 0.054 0.000 2.231 1355 Y HA -0.109 4.443 4.550 0.003 0.000 0.294 1355 Y C 2.483 178.421 175.900 0.063 0.000 1.120 1355 Y CA 0.425 58.538 58.100 0.021 0.000 1.141 1355 Y CB -0.315 38.120 38.460 -0.041 0.000 1.022 1355 Y HN 0.019 nan 8.280 nan 0.000 0.523 1356 L N 1.344 122.654 121.223 0.145 0.000 1.971 1356 L HA -0.236 4.106 4.340 0.003 0.000 0.215 1356 L C 2.268 179.098 176.870 -0.066 0.000 1.072 1356 L CA 2.636 57.495 54.840 0.032 0.000 0.758 1356 L CB -1.446 40.648 42.059 0.058 0.000 0.889 1356 L HN 0.377 nan 8.230 nan 0.000 0.433 1357 E N -0.837 119.338 120.200 -0.041 0.000 2.114 1357 E HA -0.347 4.005 4.350 0.003 0.000 0.199 1357 E C 2.241 178.805 176.600 -0.061 0.000 1.008 1357 E CA 1.963 58.332 56.400 -0.052 0.000 0.810 1357 E CB -0.515 29.152 29.700 -0.054 0.000 0.739 1357 E HN 0.794 nan 8.360 nan 0.000 0.456 1358 H N -0.049 118.912 119.070 -0.182 0.000 2.267 1358 H HA -0.113 4.445 4.556 0.003 0.000 0.297 1358 H C 1.994 177.171 175.328 -0.251 0.000 1.080 1358 H CA 2.562 58.478 56.048 -0.219 0.000 1.278 1358 H CB -0.135 29.445 29.762 -0.304 0.000 1.365 1358 H HN 0.128 nan 8.280 nan 0.000 0.489 1359 Q N 0.943 120.528 119.800 -0.358 0.000 2.045 1359 Q HA -0.185 4.157 4.340 0.003 0.000 0.206 1359 Q C 2.325 178.192 176.000 -0.222 0.000 0.991 1359 Q CA 1.728 57.332 55.803 -0.332 0.000 0.851 1359 Q CB -0.412 28.162 28.738 -0.273 0.000 0.911 1359 Q HN 0.551 nan 8.270 nan 0.000 0.418 1360 K N -0.194 120.112 120.400 -0.157 0.000 2.173 1360 K HA -0.141 4.181 4.320 0.003 0.000 0.207 1360 K C 1.951 178.482 176.600 -0.116 0.000 1.046 1360 K CA 1.721 57.944 56.287 -0.107 0.000 0.929 1360 K CB -0.049 32.404 32.500 -0.077 0.000 0.720 1360 K HN 0.206 nan 8.250 nan 0.000 0.453 1361 T N -0.283 114.175 114.554 -0.160 0.000 3.037 1361 T HA 0.035 4.387 4.350 0.003 0.000 0.252 1361 T C 1.774 176.358 174.700 -0.193 0.000 1.073 1361 T CA 0.117 62.129 62.100 -0.147 0.000 1.091 1361 T CB 0.332 69.125 68.868 -0.124 0.000 0.935 1361 T HN -0.079 nan 8.240 nan 0.000 0.488 1362 V N 1.314 121.042 119.914 -0.309 0.000 2.358 1362 V HA -0.117 4.005 4.120 0.003 0.000 0.246 1362 V C 2.509 178.514 176.094 -0.148 0.000 1.047 1362 V CA 1.308 63.440 62.300 -0.280 0.000 1.035 1362 V CB -0.367 31.217 31.823 -0.398 0.000 0.658 1362 V HN 0.285 nan 8.190 nan 0.000 0.452 1363 V N -0.083 119.756 119.914 -0.125 0.000 2.221 1363 V HA -0.251 3.871 4.120 0.003 0.000 0.242 1363 V C 2.566 178.636 176.094 -0.041 0.000 1.041 1363 V CA 2.408 64.668 62.300 -0.067 0.000 0.995 1363 V CB -0.791 30.998 31.823 -0.057 0.000 0.635 1363 V HN 0.468 nan 8.190 nan 0.000 0.448 1364 R N -0.137 120.336 120.500 -0.045 0.000 2.133 1364 R HA -0.220 4.122 4.340 0.003 0.000 0.247 1364 R C 2.442 178.739 176.300 -0.006 0.000 1.151 1364 R CA 1.917 58.002 56.100 -0.023 0.000 0.971 1364 R CB -0.222 30.060 30.300 -0.029 0.000 0.866 1364 R HN 0.454 nan 8.270 nan 0.000 0.447 1365 R N -0.364 120.124 120.500 -0.021 0.000 2.115 1365 R HA -0.099 4.243 4.340 0.003 0.000 0.226 1365 R C 2.472 178.794 176.300 0.036 0.000 1.100 1365 R CA 1.321 57.422 56.100 0.002 0.000 0.980 1365 R CB -0.275 30.009 30.300 -0.027 0.000 0.875 1365 R HN 0.254 nan 8.270 nan 0.000 0.445 1366 R N 0.382 120.890 120.500 0.013 0.000 2.070 1366 R HA -0.117 4.225 4.340 0.003 0.000 0.233 1366 R C 1.833 178.219 176.300 0.142 0.000 1.137 1366 R CA 2.079 58.203 56.100 0.039 0.000 0.945 1366 R CB -0.497 29.811 30.300 0.012 0.000 0.845 1366 R HN 0.001 nan 8.270 nan 0.000 0.430 1367 T N 1.085 115.696 114.554 0.095 0.000 2.720 1367 T HA -0.181 4.171 4.350 0.003 0.000 0.268 1367 T C 1.751 176.516 174.700 0.108 0.000 1.037 1367 T CA 1.793 63.953 62.100 0.100 0.000 1.144 1367 T CB -0.158 68.736 68.868 0.044 0.000 0.864 1367 T HN 0.449 nan 8.240 nan 0.000 0.444 1368 Q N -0.861 118.995 119.800 0.092 0.000 2.291 1368 Q HA -0.109 4.233 4.340 0.003 0.000 0.206 1368 Q C 1.891 177.955 176.000 0.107 0.000 0.976 1368 Q CA 1.227 57.077 55.803 0.078 0.000 0.875 1368 Q CB -0.152 28.622 28.738 0.059 0.000 0.927 1368 Q HN 0.758 nan 8.270 nan 0.000 0.450 1369 Y N 0.921 121.230 120.300 0.015 0.000 2.177 1369 Y HA -0.066 4.486 4.550 0.003 0.000 0.291 1369 Y C 1.923 177.835 175.900 0.021 0.000 1.117 1369 Y CA 0.900 59.009 58.100 0.015 0.000 1.114 1369 Y CB -0.210 38.261 38.460 0.018 0.000 1.017 1369 Y HN -0.013 nan 8.280 nan 0.000 0.505 1370 N N 1.047 119.908 118.700 0.267 0.000 2.133 1370 N HA -0.234 4.508 4.740 0.003 0.000 0.193 1370 N C 1.719 177.224 175.510 -0.009 0.000 1.012 1370 N CA 1.739 54.866 53.050 0.128 0.000 0.871 1370 N CB -0.533 38.117 38.487 0.273 0.000 1.011 1370 N HN 0.417 nan 8.380 nan 0.000 0.435 1371 L N 1.521 122.752 121.223 0.014 0.000 1.973 1371 L HA -0.062 4.280 4.340 0.003 0.000 0.208 1371 L C 2.295 179.124 176.870 -0.068 0.000 1.073 1371 L CA 1.590 56.431 54.840 0.002 0.000 0.746 1371 L CB -0.525 41.544 42.059 0.017 0.000 0.891 1371 L HN 0.024 nan 8.230 nan 0.000 0.433 1372 R N -0.527 119.909 120.500 -0.105 0.000 2.105 1372 R HA -0.212 4.130 4.340 0.003 0.000 0.239 1372 R C 2.317 178.513 176.300 -0.173 0.000 1.135 1372 R CA 1.613 57.638 56.100 -0.124 0.000 0.967 1372 R CB -0.418 29.810 30.300 -0.120 0.000 0.861 1372 R HN 0.354 nan 8.270 nan 0.000 0.442 1373 K N 0.717 120.945 120.400 -0.287 0.000 2.044 1373 K HA -0.190 4.132 4.320 0.003 0.000 0.210 1373 K C 2.006 178.501 176.600 -0.175 0.000 1.049 1373 K CA 1.786 57.896 56.287 -0.295 0.000 0.927 1373 K CB -0.132 32.084 32.500 -0.474 0.000 0.713 1373 K HN 0.198 nan 8.250 nan 0.000 0.443 1374 A N 0.969 123.701 122.820 -0.146 0.000 1.929 1374 A HA -0.091 4.231 4.320 0.003 0.000 0.216 1374 A C 1.915 179.449 177.584 -0.083 0.000 1.176 1374 A CA 1.207 53.173 52.037 -0.119 0.000 0.628 1374 A CB -0.270 18.665 19.000 -0.108 0.000 0.816 1374 A HN 0.293 nan 8.150 nan 0.000 0.444 1375 K N -0.135 120.226 120.400 -0.065 0.000 2.001 1375 K HA -0.202 4.119 4.320 0.003 0.000 0.214 1375 K C 1.492 178.080 176.600 -0.020 0.000 1.050 1375 K CA 1.743 58.008 56.287 -0.037 0.000 0.934 1375 K CB -0.345 32.133 32.500 -0.037 0.000 0.718 1375 K HN 0.313 nan 8.250 nan 0.000 0.443 1376 D N -0.180 120.187 120.400 -0.056 0.000 2.280 1376 D HA -0.179 4.463 4.640 0.003 0.000 0.206 1376 D C 1.880 178.178 176.300 -0.002 0.000 0.988 1376 D CA 1.112 55.080 54.000 -0.052 0.000 0.886 1376 D CB 0.022 40.768 40.800 -0.090 0.000 0.914 1376 D HN 0.070 nan 8.370 nan 0.000 0.473 1377 R N 0.506 120.994 120.500 -0.020 0.000 2.075 1377 R HA 0.226 4.568 4.340 0.003 0.000 0.220 1377 R C 1.857 178.174 176.300 0.029 0.000 1.118 1377 R CA 1.306 57.401 56.100 -0.009 0.000 0.986 1377 R CB -0.819 29.447 30.300 -0.057 0.000 0.884 1377 R HN -0.003 nan 8.270 nan 0.000 0.439 1378 A N 0.548 123.363 122.820 -0.008 0.000 1.912 1378 A HA -0.369 3.953 4.320 0.003 0.000 0.217 1378 A C 2.006 179.690 177.584 0.167 0.000 1.309 1378 A CA 2.376 54.419 52.037 0.010 0.000 0.726 1378 A CB -1.721 17.257 19.000 -0.037 0.000 0.840 1378 A HN 0.751 nan 8.150 nan 0.000 0.473 1379 H N -0.901 118.204 119.070 0.059 0.000 2.450 1379 H HA -0.197 4.361 4.556 0.003 0.000 0.291 1379 H C 1.587 176.947 175.328 0.053 0.000 1.128 1379 H CA 2.240 58.324 56.048 0.060 0.000 1.203 1379 H CB -0.047 29.730 29.762 0.026 0.000 1.356 1379 H HN 0.387 nan 8.280 nan 0.000 0.503 1380 I N -0.261 120.415 120.570 0.175 0.000 2.585 1380 I HA -0.139 4.033 4.170 0.003 0.000 0.254 1380 I C 2.313 178.464 176.117 0.058 0.000 1.129 1380 I CA 0.646 62.008 61.300 0.103 0.000 1.455 1380 I CB -0.836 37.220 38.000 0.094 0.000 1.111 1380 I HN 0.374 nan 8.210 nan 0.000 0.433 1381 L N 0.496 121.784 121.223 0.109 0.000 2.362 1381 L HA -0.153 4.189 4.340 0.003 0.000 0.219 1381 L C 2.220 179.143 176.870 0.089 0.000 1.134 1381 L CA 1.005 55.931 54.840 0.144 0.000 0.807 1381 L CB -0.136 42.093 42.059 0.284 0.000 0.927 1381 L HN 0.303 nan 8.230 nan 0.000 0.447 1382 E N -0.866 119.377 120.200 0.071 0.000 2.190 1382 E HA -0.059 4.293 4.350 0.003 0.000 0.191 1382 E C 2.154 178.684 176.600 -0.117 0.000 0.978 1382 E CA 0.657 57.016 56.400 -0.068 0.000 0.839 1382 E CB -0.074 29.617 29.700 -0.016 0.000 0.787 1382 E HN 0.502 nan 8.360 nan 0.000 0.473 1383 G N 1.839 110.567 108.800 -0.120 0.000 2.453 1383 G HA2 -0.237 3.725 3.960 0.003 0.000 0.215 1383 G HA3 -0.237 3.725 3.960 0.003 0.000 0.215 1383 G C 1.580 176.417 174.900 -0.105 0.000 1.201 1383 G CA 0.386 45.415 45.100 -0.119 0.000 0.784 1383 G HN 0.071 nan 8.290 nan 0.000 0.545 1384 L N -0.050 121.125 121.223 -0.078 0.000 2.187 1384 L HA -0.072 4.270 4.340 0.003 0.000 0.213 1384 L C 3.123 179.930 176.870 -0.105 0.000 1.100 1384 L CA 0.703 55.494 54.840 -0.081 0.000 0.765 1384 L CB -0.285 41.745 42.059 -0.048 0.000 0.904 1384 L HN 0.185 nan 8.230 nan 0.000 0.437 1385 R N 0.239 120.669 120.500 -0.117 0.000 2.109 1385 R HA -0.178 4.164 4.340 0.003 0.000 0.227 1385 R C 2.269 178.467 176.300 -0.170 0.000 1.132 1385 R CA 1.845 57.855 56.100 -0.150 0.000 0.907 1385 R CB -0.562 29.619 30.300 -0.197 0.000 0.825 1385 R HN 0.198 nan 8.270 nan 0.000 0.432 1386 I N 0.810 121.288 120.570 -0.155 0.000 2.103 1386 I HA -0.408 3.764 4.170 0.003 0.000 0.241 1386 I C 2.675 178.675 176.117 -0.195 0.000 1.036 1386 I CA 1.704 62.922 61.300 -0.137 0.000 1.300 1386 I CB -0.686 37.306 38.000 -0.014 0.000 1.010 1386 I HN 0.354 nan 8.210 nan 0.000 0.406 1387 A N 0.849 123.539 122.820 -0.216 0.000 1.884 1387 A HA -0.259 4.063 4.320 0.003 0.000 0.219 1387 A C 2.323 179.799 177.584 -0.181 0.000 1.197 1387 A CA 2.027 53.914 52.037 -0.250 0.000 0.637 1387 A CB -1.147 17.726 19.000 -0.211 0.000 0.827 1387 A HN 0.465 nan 8.150 nan 0.000 0.450 1388 L N -0.888 120.239 121.223 -0.159 0.000 2.127 1388 L HA -0.203 4.139 4.340 0.003 0.000 0.211 1388 L C 1.415 178.183 176.870 -0.170 0.000 1.089 1388 L CA 1.539 56.297 54.840 -0.135 0.000 0.757 1388 L CB -0.432 41.556 42.059 -0.118 0.000 0.899 1388 L HN 0.349 nan 8.230 nan 0.000 0.434 1389 D N -2.127 118.106 120.400 -0.279 0.000 2.350 1389 D HA 0.014 4.656 4.640 0.003 0.000 0.213 1389 D C 0.532 176.416 176.300 -0.694 0.000 1.031 1389 D CA 0.658 54.393 54.000 -0.442 0.000 0.861 1389 D CB 0.249 40.740 40.800 -0.515 0.000 0.926 1389 D HN 0.350 nan 8.370 nan 0.000 0.520 1390 H N -0.097 118.959 119.070 -0.024 0.000 2.901 1390 H HA 0.115 4.673 4.556 0.003 0.000 0.227 1390 H C 1.321 176.641 175.328 -0.013 0.000 1.390 1390 H CA -0.555 55.512 56.048 0.032 0.000 1.120 1390 H CB 0.393 30.255 29.762 0.168 0.000 2.131 1390 H HN -0.050 nan 8.280 nan 0.000 0.549 1391 I N 1.895 122.466 120.570 0.002 0.000 2.118 1391 I HA -0.284 3.888 4.170 0.003 0.000 0.241 1391 I C 1.736 177.862 176.117 0.015 0.000 1.070 1391 I CA 1.737 63.022 61.300 -0.024 0.000 1.327 1391 I CB -0.109 37.867 38.000 -0.040 0.000 1.034 1391 I HN 0.313 nan 8.210 nan 0.000 0.405 1392 D N 0.465 120.891 120.400 0.042 0.000 2.149 1392 D HA -0.204 4.437 4.640 0.003 0.000 0.198 1392 D C 2.046 178.400 176.300 0.090 0.000 0.990 1392 D CA 1.685 55.717 54.000 0.053 0.000 0.839 1392 D CB -0.338 40.493 40.800 0.051 0.000 0.948 1392 D HN 0.639 nan 8.370 nan 0.000 0.460 1393 E N 1.160 121.451 120.200 0.151 0.000 2.268 1393 E HA -0.105 4.246 4.350 0.003 0.000 0.195 1393 E C 2.019 178.831 176.600 0.352 0.000 0.995 1393 E CA 0.462 57.015 56.400 0.255 0.000 0.836 1393 E CB -0.440 29.470 29.700 0.351 0.000 0.763 1393 E HN 0.172 nan 8.360 nan 0.000 0.491 1394 I N 0.503 121.150 120.570 0.128 0.000 2.400 1394 I HA -0.063 4.109 4.170 0.003 0.000 0.248 1394 I C 2.434 178.577 176.117 0.044 0.000 1.109 1394 I CA 0.509 61.795 61.300 -0.023 0.000 1.425 1394 I CB -0.587 37.288 38.000 -0.209 0.000 1.094 1394 I HN 0.239 nan 8.210 nan 0.000 0.425 1395 I N 1.041 121.631 120.570 0.033 0.000 2.315 1395 I HA -0.276 3.896 4.170 0.003 0.000 0.251 1395 I C 2.545 178.693 176.117 0.052 0.000 1.125 1395 I CA 1.202 62.521 61.300 0.032 0.000 1.392 1395 I CB -1.213 36.802 38.000 0.024 0.000 1.065 1395 I HN 0.188 nan 8.210 nan 0.000 0.424 1396 S N 0.644 116.392 115.700 0.080 0.000 2.344 1396 S HA -0.157 4.315 4.470 0.003 0.000 0.217 1396 S C 2.015 176.666 174.600 0.085 0.000 1.033 1396 S CA 1.973 60.219 58.200 0.076 0.000 1.017 1396 S CB -0.776 62.478 63.200 0.091 0.000 0.941 1396 S HN 0.442 nan 8.310 nan 0.000 0.430 1397 T N 2.229 116.869 114.554 0.145 0.000 2.849 1397 T HA -0.001 4.351 4.350 0.003 0.000 0.270 1397 T C 1.668 176.426 174.700 0.097 0.000 1.066 1397 T CA 1.041 63.234 62.100 0.155 0.000 1.130 1397 T CB -0.374 68.695 68.868 0.334 0.000 0.864 1397 T HN 0.231 nan 8.240 nan 0.000 0.481 1398 I N -0.015 120.599 120.570 0.073 0.000 2.260 1398 I HA -0.053 4.119 4.170 0.003 0.000 0.237 1398 I C 2.672 178.809 176.117 0.033 0.000 1.075 1398 I CA 0.600 61.925 61.300 0.043 0.000 1.376 1398 I CB -0.129 37.886 38.000 0.024 0.000 1.107 1398 I HN -0.055 nan 8.210 nan 0.000 0.420 1399 R N 1.197 121.714 120.500 0.029 0.000 2.189 1399 R HA -0.297 4.045 4.340 0.003 0.000 0.252 1399 R C 1.890 178.203 176.300 0.021 0.000 1.134 1399 R CA 2.399 58.512 56.100 0.022 0.000 0.954 1399 R CB -1.292 29.022 30.300 0.022 0.000 0.890 1399 R HN 0.639 nan 8.270 nan 0.000 0.443 1400 E N 0.536 120.751 120.200 0.026 0.000 2.515 1400 E HA -0.019 4.333 4.350 0.003 0.000 0.201 1400 E C -0.327 176.285 176.600 0.019 0.000 1.071 1400 E CA 0.354 56.766 56.400 0.021 0.000 0.880 1400 E CB 0.134 29.847 29.700 0.022 0.000 0.828 1400 E HN -0.044 nan 8.360 nan 0.000 0.540 1401 S N 1.583 117.295 115.700 0.021 0.000 2.448 1401 S HA 0.089 4.561 4.470 0.003 0.000 0.320 1401 S C -0.332 174.277 174.600 0.014 0.000 1.071 1401 S CA -0.796 57.415 58.200 0.019 0.000 1.113 1401 S CB 1.482 64.697 63.200 0.025 0.000 0.972 1401 S HN 0.131 nan 8.310 nan 0.000 0.465 1402 D N 2.495 122.901 120.400 0.011 0.000 2.137 1402 D HA -0.109 4.533 4.640 0.003 0.000 0.189 1402 D C 1.460 177.766 176.300 0.009 0.000 0.998 1402 D CA 1.806 55.811 54.000 0.009 0.000 0.839 1402 D CB -0.142 40.662 40.800 0.007 0.000 0.962 1402 D HN 0.637 nan 8.370 nan 0.000 0.446 1403 T N -2.520 112.040 114.554 0.010 0.000 2.932 1403 T HA 0.338 4.690 4.350 0.003 0.000 0.289 1403 T C 0.302 175.009 174.700 0.012 0.000 1.039 1403 T CA -0.876 61.230 62.100 0.009 0.000 1.024 1403 T CB 1.922 70.795 68.868 0.008 0.000 1.090 1403 T HN -0.309 nan 8.240 nan 0.000 0.496 1404 D N 0.118 120.525 120.400 0.011 0.000 2.309 1404 D HA -0.020 4.622 4.640 0.003 0.000 0.212 1404 D C 1.775 178.085 176.300 0.015 0.000 0.968 1404 D CA 0.961 54.969 54.000 0.013 0.000 0.882 1404 D CB 0.017 40.823 40.800 0.010 0.000 0.918 1404 D HN 0.693 nan 8.370 nan 0.000 0.503 1405 K N 0.144 120.552 120.400 0.013 0.000 2.057 1405 K HA -0.093 4.229 4.320 0.003 0.000 0.206 1405 K C 1.718 178.329 176.600 0.017 0.000 1.050 1405 K CA 0.694 56.989 56.287 0.014 0.000 0.935 1405 K CB 0.064 32.570 32.500 0.011 0.000 0.715 1405 K HN -0.091 nan 8.250 nan 0.000 0.439 1406 V N 1.391 121.315 119.914 0.017 0.000 2.232 1406 V HA -0.330 3.792 4.120 0.003 0.000 0.241 1406 V C 2.235 178.346 176.094 0.028 0.000 1.036 1406 V CA 2.077 64.389 62.300 0.020 0.000 0.993 1406 V CB -1.283 30.550 31.823 0.017 0.000 0.639 1406 V HN 0.556 nan 8.190 nan 0.000 0.459 1407 A N -0.262 122.575 122.820 0.029 0.000 1.941 1407 A HA -0.414 3.908 4.320 0.003 0.000 0.233 1407 A C 2.182 179.792 177.584 0.044 0.000 1.649 1407 A CA 3.298 55.358 52.037 0.037 0.000 0.726 1407 A CB -0.844 18.173 19.000 0.027 0.000 0.843 1407 A HN 0.519 nan 8.150 nan 0.000 0.511 1408 M N -1.604 118.016 119.600 0.034 0.000 2.286 1408 M HA -0.207 4.275 4.480 0.003 0.000 0.262 1408 M C 2.101 178.428 176.300 0.045 0.000 1.071 1408 M CA 2.416 57.737 55.300 0.035 0.000 1.091 1408 M CB -1.614 31.002 32.600 0.026 0.000 1.260 1408 M HN 0.616 nan 8.290 nan 0.000 0.442 1409 E N -0.059 120.164 120.200 0.037 0.000 2.033 1409 E HA -0.165 4.187 4.350 0.003 0.000 0.199 1409 E C 2.033 178.662 176.600 0.047 0.000 1.011 1409 E CA 2.070 58.492 56.400 0.036 0.000 0.815 1409 E CB -0.200 29.515 29.700 0.025 0.000 0.755 1409 E HN 0.396 nan 8.360 nan 0.000 0.451 1410 S N 0.860 116.589 115.700 0.047 0.000 2.365 1410 S HA -0.200 4.271 4.470 0.003 0.000 0.225 1410 S C 1.990 176.657 174.600 0.111 0.000 1.039 1410 S CA 1.059 59.292 58.200 0.055 0.000 1.033 1410 S CB -0.396 62.836 63.200 0.052 0.000 0.887 1410 S HN 0.176 nan 8.310 nan 0.000 0.447 1411 L N 1.060 122.373 121.223 0.149 0.000 2.263 1411 L HA -0.235 4.107 4.340 0.003 0.000 0.216 1411 L C 2.511 179.543 176.870 0.271 0.000 1.111 1411 L CA 1.238 56.230 54.840 0.253 0.000 0.773 1411 L CB -0.369 41.763 42.059 0.121 0.000 0.906 1411 L HN 0.443 nan 8.230 nan 0.000 0.439 1412 Q N -1.145 118.743 119.800 0.148 0.000 2.387 1412 Q HA -0.087 4.255 4.340 0.003 0.000 0.212 1412 Q C 1.654 177.701 176.000 0.077 0.000 0.925 1412 Q CA 0.519 56.389 55.803 0.112 0.000 0.901 1412 Q CB 0.044 28.826 28.738 0.074 0.000 1.020 1412 Q HN 0.551 nan 8.270 nan 0.000 0.545 1413 Q N 0.632 120.456 119.800 0.040 0.000 2.280 1413 Q HA 0.105 4.447 4.340 0.003 0.000 0.202 1413 Q C 1.142 177.108 176.000 -0.058 0.000 0.903 1413 Q CA 0.278 56.080 55.803 -0.002 0.000 0.948 1413 Q CB 0.426 29.161 28.738 -0.006 0.000 1.058 1413 Q HN 0.111 nan 8.270 nan 0.000 0.493 1414 R N -0.915 119.532 120.500 -0.088 0.000 2.531 1414 R HA 0.281 4.623 4.340 0.003 0.000 0.316 1414 R C -0.288 175.644 176.300 -0.613 0.000 0.955 1414 R CA 0.067 55.976 56.100 -0.318 0.000 1.120 1414 R CB 0.783 30.879 30.300 -0.339 0.000 1.361 1414 R HN 0.221 nan 8.270 nan 0.000 0.534 1415 F N 0.044 119.977 119.950 -0.027 0.000 3.031 1415 F HA 0.314 4.843 4.527 0.003 0.000 0.365 1415 F C -0.354 175.437 175.800 -0.015 0.000 1.128 1415 F CA -0.590 57.395 58.000 -0.026 0.000 1.068 1415 F CB 0.906 39.904 39.000 -0.005 0.000 1.280 1415 F HN -0.225 nan 8.300 nan 0.000 0.529 1416 K N 2.138 122.604 120.400 0.109 0.000 3.689 1416 K HA -0.169 4.153 4.320 0.003 0.000 0.276 1416 K C -0.985 175.662 176.600 0.079 0.000 0.932 1416 K CA 0.410 56.741 56.287 0.072 0.000 0.758 1416 K CB -1.456 31.070 32.500 0.045 0.000 1.500 1416 K HN 0.322 nan 8.250 nan 0.000 0.448 1417 L N 0.528 121.804 121.223 0.088 0.000 2.381 1417 L HA 0.346 4.688 4.340 0.003 0.000 0.268 1417 L C 0.798 177.715 176.870 0.077 0.000 0.997 1417 L CA -0.862 54.015 54.840 0.062 0.000 0.818 1417 L CB 1.999 44.095 42.059 0.062 0.000 1.310 1417 L HN 0.355 nan 8.230 nan 0.000 0.416 1418 S N 0.775 116.539 115.700 0.106 0.000 2.608 1418 S HA 0.056 4.528 4.470 0.003 0.000 0.261 1418 S C 1.030 175.702 174.600 0.121 0.000 1.314 1418 S CA 0.050 58.340 58.200 0.149 0.000 0.992 1418 S CB 1.299 64.660 63.200 0.268 0.000 0.935 1418 S HN 0.791 nan 8.310 nan 0.000 0.564 1419 E N 1.505 121.758 120.200 0.087 0.000 2.065 1419 E HA -0.249 4.103 4.350 0.003 0.000 0.201 1419 E C 1.859 178.498 176.600 0.066 0.000 1.016 1419 E CA 2.006 58.441 56.400 0.060 0.000 0.818 1419 E CB -0.220 29.502 29.700 0.037 0.000 0.749 1419 E HN 0.775 nan 8.360 nan 0.000 0.453 1420 K N -0.100 120.351 120.400 0.086 0.000 2.063 1420 K HA -0.210 4.112 4.320 0.003 0.000 0.208 1420 K C 2.450 179.109 176.600 0.098 0.000 1.048 1420 K CA 1.687 58.024 56.287 0.085 0.000 0.928 1420 K CB -0.151 32.394 32.500 0.075 0.000 0.713 1420 K HN 0.196 nan 8.250 nan 0.000 0.442 1421 Q N 0.227 120.107 119.800 0.133 0.000 2.050 1421 Q HA -0.161 4.181 4.340 0.003 0.000 0.202 1421 Q C 2.214 178.222 176.000 0.013 0.000 0.980 1421 Q CA 1.751 57.583 55.803 0.048 0.000 0.840 1421 Q CB -0.196 28.529 28.738 -0.021 0.000 0.898 1421 Q HN 0.390 nan 8.270 nan 0.000 0.424 1422 A N 0.506 123.341 122.820 0.026 0.000 1.883 1422 A HA -0.255 4.067 4.320 0.003 0.000 0.217 1422 A C 2.033 179.623 177.584 0.010 0.000 1.186 1422 A CA 1.421 53.467 52.037 0.014 0.000 0.624 1422 A CB -0.598 18.424 19.000 0.036 0.000 0.822 1422 A HN 0.294 nan 8.150 nan 0.000 0.444 1423 Q N -0.647 119.166 119.800 0.021 0.000 2.181 1423 Q HA -0.178 4.164 4.340 0.003 0.000 0.205 1423 Q C 2.403 178.408 176.000 0.008 0.000 0.980 1423 Q CA 1.630 57.443 55.803 0.016 0.000 0.862 1423 Q CB -0.619 28.131 28.738 0.020 0.000 0.905 1423 Q HN 0.682 nan 8.270 nan 0.000 0.429 1424 A N 0.359 123.186 122.820 0.010 0.000 1.898 1424 A HA -0.138 4.184 4.320 0.003 0.000 0.216 1424 A C 2.144 179.719 177.584 -0.016 0.000 1.181 1424 A CA 0.959 52.997 52.037 0.002 0.000 0.620 1424 A CB -0.516 18.490 19.000 0.010 0.000 0.819 1424 A HN 0.297 nan 8.150 nan 0.000 0.442 1425 I N -0.280 120.272 120.570 -0.029 0.000 2.094 1425 I HA -0.255 3.917 4.170 0.003 0.000 0.234 1425 I C 2.322 178.419 176.117 -0.034 0.000 1.063 1425 I CA 1.322 62.593 61.300 -0.048 0.000 1.328 1425 I CB -0.514 37.437 38.000 -0.081 0.000 1.058 1425 I HN 0.289 nan 8.210 nan 0.000 0.400 1426 L N 0.410 121.619 121.223 -0.022 0.000 2.113 1426 L HA -0.340 4.002 4.340 0.003 0.000 0.221 1426 L C 1.944 178.807 176.870 -0.011 0.000 1.084 1426 L CA 1.547 56.379 54.840 -0.012 0.000 0.787 1426 L CB -0.937 41.120 42.059 -0.002 0.000 0.893 1426 L HN 0.335 nan 8.230 nan 0.000 0.440 1427 D N -0.795 119.599 120.400 -0.011 0.000 2.213 1427 D HA -0.018 4.624 4.640 0.003 0.000 0.205 1427 D C 1.264 177.557 176.300 -0.012 0.000 0.961 1427 D CA 0.288 54.283 54.000 -0.008 0.000 0.853 1427 D CB -0.045 40.752 40.800 -0.005 0.000 0.967 1427 D HN 0.215 nan 8.370 nan 0.000 0.496 1428 M N 1.720 121.310 119.600 -0.017 0.000 2.336 1428 M HA 0.043 4.525 4.480 0.003 0.000 0.371 1428 M C 0.455 176.744 176.300 -0.018 0.000 1.542 1428 M CA 0.211 55.499 55.300 -0.020 0.000 0.959 1428 M CB 0.379 32.961 32.600 -0.030 0.000 2.033 1428 M HN -0.072 nan 8.290 nan 0.000 0.472 1429 R N 4.732 125.223 120.500 -0.015 0.000 2.707 1429 R HA 0.305 4.647 4.340 0.003 0.000 0.270 1429 R C 0.756 177.047 176.300 -0.015 0.000 1.083 1429 R CA -0.117 55.976 56.100 -0.013 0.000 1.182 1429 R CB -0.405 29.889 30.300 -0.010 0.000 1.084 1429 R HN 0.964 nan 8.270 nan 0.000 0.528 1430 L N 0.509 121.724 121.223 -0.013 0.000 2.141 1430 L HA -0.136 4.206 4.340 0.003 0.000 0.209 1430 L C 2.847 179.709 176.870 -0.013 0.000 1.094 1430 L CA 1.407 56.239 54.840 -0.013 0.000 0.763 1430 L CB -0.458 41.595 42.059 -0.010 0.000 0.908 1430 L HN 0.764 nan 8.230 nan 0.000 0.437 1431 R N 0.240 120.733 120.500 -0.011 0.000 2.153 1431 R HA -0.187 4.154 4.340 0.003 0.000 0.252 1431 R C 2.183 178.475 176.300 -0.013 0.000 1.158 1431 R CA 1.353 57.447 56.100 -0.010 0.000 0.975 1431 R CB -0.228 30.067 30.300 -0.009 0.000 0.871 1431 R HN 0.384 nan 8.270 nan 0.000 0.450 1432 R N 0.509 121.000 120.500 -0.016 0.000 2.328 1432 R HA -0.056 4.286 4.340 0.003 0.000 0.207 1432 R C 1.821 178.107 176.300 -0.023 0.000 1.056 1432 R CA 0.695 56.784 56.100 -0.019 0.000 1.016 1432 R CB -0.180 30.106 30.300 -0.022 0.000 0.872 1432 R HN 0.357 nan 8.270 nan 0.000 0.471 1433 L N 1.018 122.228 121.223 -0.021 0.000 2.307 1433 L HA 0.024 4.365 4.340 0.003 0.000 0.211 1433 L C 0.934 177.792 176.870 -0.020 0.000 1.099 1433 L CA 0.462 55.288 54.840 -0.023 0.000 0.816 1433 L CB -0.573 41.474 42.059 -0.021 0.000 0.952 1433 L HN 0.139 nan 8.230 nan 0.000 0.455 1434 T N -1.676 112.868 114.554 -0.016 0.000 2.908 1434 T HA 0.089 4.441 4.350 0.003 0.000 0.301 1434 T C 1.566 176.257 174.700 -0.015 0.000 1.019 1434 T CA 0.068 62.160 62.100 -0.013 0.000 1.152 1434 T CB 1.463 70.324 68.868 -0.011 0.000 0.966 1434 T HN 0.305 nan 8.240 nan 0.000 0.540 1435 G N 2.520 111.311 108.800 -0.015 0.000 2.599 1435 G HA2 -0.252 3.710 3.960 0.003 0.000 0.219 1435 G HA3 -0.252 3.710 3.960 0.003 0.000 0.219 1435 G C 1.279 176.171 174.900 -0.014 0.000 1.193 1435 G CA 1.053 46.143 45.100 -0.016 0.000 0.778 1435 G HN 0.681 nan 8.290 nan 0.000 0.589 1436 L N 0.393 121.610 121.223 -0.011 0.000 2.189 1436 L HA -0.059 4.283 4.340 0.003 0.000 0.214 1436 L C 2.621 179.486 176.870 -0.009 0.000 1.097 1436 L CA 1.449 56.284 54.840 -0.009 0.000 0.764 1436 L CB -0.157 41.898 42.059 -0.006 0.000 0.900 1436 L HN 0.175 nan 8.230 nan 0.000 0.436 1437 E N -0.544 119.649 120.200 -0.011 0.000 2.481 1437 E HA -0.034 4.318 4.350 0.003 0.000 0.195 1437 E C 1.508 178.099 176.600 -0.015 0.000 1.047 1437 E CA 0.333 56.726 56.400 -0.011 0.000 0.867 1437 E CB 0.154 29.847 29.700 -0.012 0.000 0.858 1437 E HN 0.468 nan 8.360 nan 0.000 0.513 1438 R N 0.235 120.724 120.500 -0.018 0.000 2.468 1438 R HA 0.102 4.444 4.340 0.003 0.000 0.280 1438 R C 0.453 176.741 176.300 -0.021 0.000 0.963 1438 R CA 0.105 56.190 56.100 -0.025 0.000 1.083 1438 R CB 0.605 30.885 30.300 -0.033 0.000 1.200 1438 R HN -0.058 nan 8.270 nan 0.000 0.541 1439 D N -0.184 120.209 120.400 -0.012 0.000 2.479 1439 D HA 0.055 4.697 4.640 0.003 0.000 0.216 1439 D C 1.133 177.434 176.300 0.002 0.000 1.110 1439 D CA 0.189 54.186 54.000 -0.005 0.000 0.841 1439 D CB 0.539 41.336 40.800 -0.005 0.000 1.040 1439 D HN 0.046 nan 8.370 nan 0.000 0.505 1440 K N 0.636 121.036 120.400 0.001 0.000 2.137 1440 K HA 0.126 4.448 4.320 0.003 0.000 0.202 1440 K C 2.110 178.716 176.600 0.011 0.000 1.052 1440 K CA 0.363 56.653 56.287 0.005 0.000 0.961 1440 K CB 0.516 33.016 32.500 0.000 0.000 0.741 1440 K HN 0.105 nan 8.250 nan 0.000 0.452 1441 I N 1.030 121.603 120.570 0.005 0.000 2.133 1441 I HA -0.262 3.910 4.170 0.003 0.000 0.238 1441 I C 2.600 178.735 176.117 0.031 0.000 1.074 1441 I CA 1.294 62.600 61.300 0.010 0.000 1.342 1441 I CB -0.210 37.783 38.000 -0.011 0.000 1.053 1441 I HN 0.133 nan 8.210 nan 0.000 0.404 1442 E N 1.749 121.956 120.200 0.011 0.000 2.031 1442 E HA -0.218 4.133 4.350 0.003 0.000 0.193 1442 E C 2.113 178.754 176.600 0.069 0.000 0.994 1442 E CA 1.867 58.281 56.400 0.022 0.000 0.800 1442 E CB -0.335 29.355 29.700 -0.017 0.000 0.752 1442 E HN 0.363 nan 8.360 nan 0.000 0.447 1443 A N 0.948 123.794 122.820 0.043 0.000 1.948 1443 A HA -0.298 4.024 4.320 0.003 0.000 0.220 1443 A C 2.275 179.893 177.584 0.057 0.000 1.177 1443 A CA 2.010 54.075 52.037 0.046 0.000 0.636 1443 A CB -0.813 18.202 19.000 0.026 0.000 0.815 1443 A HN 0.519 nan 8.150 nan 0.000 0.449 1444 E N -1.654 118.579 120.200 0.055 0.000 2.072 1444 E HA -0.204 4.148 4.350 0.003 0.000 0.190 1444 E C 1.826 178.457 176.600 0.052 0.000 0.982 1444 E CA 1.223 57.645 56.400 0.038 0.000 0.803 1444 E CB -0.287 29.427 29.700 0.022 0.000 0.755 1444 E HN 0.748 nan 8.360 nan 0.000 0.453 1445 Y N 1.986 122.278 120.300 -0.014 0.000 2.053 1445 Y HA -0.309 4.243 4.550 0.003 0.000 0.277 1445 Y C 2.168 178.068 175.900 0.000 0.000 1.159 1445 Y CA 2.276 60.370 58.100 -0.010 0.000 1.125 1445 Y CB -0.363 38.088 38.460 -0.015 0.000 0.969 1445 Y HN 0.091 nan 8.280 nan 0.000 0.492 1446 N N 0.592 119.453 118.700 0.267 0.000 2.091 1446 N HA -0.242 4.500 4.740 0.003 0.000 0.193 1446 N C 1.768 177.300 175.510 0.036 0.000 1.021 1446 N CA 1.914 55.057 53.050 0.155 0.000 0.862 1446 N CB -0.412 38.153 38.487 0.129 0.000 1.018 1446 N HN 0.605 nan 8.380 nan 0.000 0.429 1447 E N -0.114 120.098 120.200 0.020 0.000 2.216 1447 E HA 0.036 4.388 4.350 0.003 0.000 0.192 1447 E C 1.895 178.499 176.600 0.007 0.000 0.988 1447 E CA 0.021 56.432 56.400 0.018 0.000 0.834 1447 E CB 0.166 29.880 29.700 0.022 0.000 0.772 1447 E HN 0.275 nan 8.360 nan 0.000 0.479 1448 L N 0.595 121.782 121.223 -0.061 0.000 2.056 1448 L HA -0.179 4.162 4.340 0.003 0.000 0.207 1448 L C 2.389 179.231 176.870 -0.046 0.000 1.078 1448 L CA 0.861 55.655 54.840 -0.077 0.000 0.749 1448 L CB -0.453 41.489 42.059 -0.195 0.000 0.901 1448 L HN 0.292 nan 8.230 nan 0.000 0.433 1449 L N 0.040 121.190 121.223 -0.120 0.000 2.051 1449 L HA -0.280 4.062 4.340 0.003 0.000 0.214 1449 L C 1.471 178.337 176.870 -0.006 0.000 1.076 1449 L CA 1.904 56.692 54.840 -0.086 0.000 0.758 1449 L CB -0.656 41.365 42.059 -0.063 0.000 0.890 1449 L HN 0.481 nan 8.230 nan 0.000 0.433 1450 N N -2.304 116.409 118.700 0.021 0.000 2.322 1450 N HA -0.063 4.679 4.740 0.003 0.000 0.194 1450 N C 1.195 176.740 175.510 0.058 0.000 1.126 1450 N CA 0.008 53.076 53.050 0.030 0.000 0.845 1450 N CB 0.199 38.702 38.487 0.027 0.000 0.976 1450 N HN 0.333 nan 8.380 nan 0.000 0.475 1451 Y N 0.724 121.001 120.300 -0.040 0.000 2.539 1451 Y HA 0.267 4.819 4.550 0.003 0.000 0.284 1451 Y C 1.623 177.503 175.900 -0.033 0.000 1.134 1451 Y CA 0.201 58.282 58.100 -0.031 0.000 1.251 1451 Y CB 0.312 38.752 38.460 -0.033 0.000 1.260 1451 Y HN -0.071 nan 8.280 nan 0.000 0.528 1452 I N -0.841 119.852 120.570 0.204 0.000 2.756 1452 I HA -0.180 3.991 4.170 0.003 0.000 0.262 1452 I C 2.472 178.604 176.117 0.025 0.000 1.225 1452 I CA 0.915 62.280 61.300 0.109 0.000 1.472 1452 I CB -0.598 37.429 38.000 0.045 0.000 1.094 1452 I HN 0.105 nan 8.210 nan 0.000 0.454 1453 S N 1.080 116.783 115.700 0.006 0.000 2.354 1453 S HA -0.228 4.244 4.470 0.003 0.000 0.219 1453 S C 1.985 176.558 174.600 -0.046 0.000 1.035 1453 S CA 1.932 60.122 58.200 -0.018 0.000 1.037 1453 S CB -0.139 63.051 63.200 -0.017 0.000 0.956 1453 S HN 0.499 nan 8.310 nan 0.000 0.428 1454 E N 0.762 120.905 120.200 -0.096 0.000 2.023 1454 E HA -0.157 4.195 4.350 0.003 0.000 0.196 1454 E C 2.161 178.689 176.600 -0.120 0.000 1.003 1454 E CA 1.540 57.857 56.400 -0.139 0.000 0.809 1454 E CB -0.408 29.141 29.700 -0.252 0.000 0.755 1454 E HN 0.411 nan 8.360 nan 0.000 0.449 1455 L N 1.125 122.267 121.223 -0.134 0.000 2.054 1455 L HA -0.329 4.012 4.340 0.003 0.000 0.220 1455 L C 2.428 179.283 176.870 -0.025 0.000 1.081 1455 L CA 1.627 56.435 54.840 -0.054 0.000 0.780 1455 L CB -0.772 41.308 42.059 0.035 0.000 0.893 1455 L HN 0.242 nan 8.230 nan 0.000 0.438 1456 E N -0.783 119.406 120.200 -0.019 0.000 2.046 1456 E HA -0.143 4.209 4.350 0.003 0.000 0.190 1456 E C 2.113 178.701 176.600 -0.020 0.000 0.982 1456 E CA 1.522 57.915 56.400 -0.012 0.000 0.800 1456 E CB -0.403 29.294 29.700 -0.006 0.000 0.756 1456 E HN 0.430 nan 8.360 nan 0.000 0.449 1457 T N 1.901 116.438 114.554 -0.029 0.000 2.684 1457 T HA -0.204 4.148 4.350 0.003 0.000 0.267 1457 T C 1.846 176.528 174.700 -0.031 0.000 1.032 1457 T CA 1.330 63.411 62.100 -0.031 0.000 1.155 1457 T CB -0.213 68.629 68.868 -0.043 0.000 0.857 1457 T HN 0.118 nan 8.240 nan 0.000 0.457 1458 I N -0.374 120.174 120.570 -0.037 0.000 3.578 1458 I HA 0.115 4.287 4.170 0.003 0.000 0.295 1458 I C 1.655 177.759 176.117 -0.023 0.000 1.280 1458 I CA 0.370 61.650 61.300 -0.034 0.000 1.347 1458 I CB 0.105 38.077 38.000 -0.047 0.000 1.051 1458 I HN 0.215 nan 8.210 nan 0.000 0.460 1459 L N -0.254 120.959 121.223 -0.017 0.000 2.349 1459 L HA 0.218 4.560 4.340 0.003 0.000 0.200 1459 L C 2.234 179.097 176.870 -0.011 0.000 1.064 1459 L CA 0.442 55.276 54.840 -0.011 0.000 0.821 1459 L CB -0.287 41.770 42.059 -0.004 0.000 1.027 1459 L HN 0.070 nan 8.230 nan 0.000 0.476 1460 A N -0.919 121.895 122.820 -0.011 0.000 2.250 1460 A HA -0.021 4.301 4.320 0.003 0.000 0.208 1460 A C -0.093 177.485 177.584 -0.010 0.000 1.254 1460 A CA 0.664 52.695 52.037 -0.009 0.000 0.858 1460 A CB -0.585 18.411 19.000 -0.008 0.000 0.820 1460 A HN 0.327 nan 8.150 nan 0.000 0.484 1461 D N -1.612 118.780 120.400 -0.013 0.000 2.937 1461 D HA 0.190 4.832 4.640 0.003 0.000 0.215 1461 D C 0.175 176.467 176.300 -0.015 0.000 1.274 1461 D CA -0.361 53.631 54.000 -0.013 0.000 0.869 1461 D CB 1.303 42.094 40.800 -0.014 0.000 1.675 1461 D HN -0.071 nan 8.370 nan 0.000 0.538 1462 E N 1.662 121.853 120.200 -0.014 0.000 2.008 1462 E HA -0.147 4.205 4.350 0.003 0.000 0.191 1462 E C 1.326 177.916 176.600 -0.016 0.000 0.986 1462 E CA 0.958 57.349 56.400 -0.015 0.000 0.807 1462 E CB -0.054 29.637 29.700 -0.014 0.000 0.766 1462 E HN 0.585 nan 8.360 nan 0.000 0.450 1463 E N 0.961 121.152 120.200 -0.014 0.000 2.147 1463 E HA -0.150 4.201 4.350 0.003 0.000 0.199 1463 E C 1.977 178.568 176.600 -0.015 0.000 1.005 1463 E CA 0.923 57.315 56.400 -0.014 0.000 0.810 1463 E CB -0.380 29.313 29.700 -0.012 0.000 0.736 1463 E HN 0.038 nan 8.360 nan 0.000 0.460 1464 V N 0.324 120.228 119.914 -0.017 0.000 2.626 1464 V HA -0.182 3.939 4.120 0.003 0.000 0.252 1464 V C 2.272 178.352 176.094 -0.022 0.000 1.067 1464 V CA 1.503 63.791 62.300 -0.019 0.000 1.081 1464 V CB -0.424 31.387 31.823 -0.020 0.000 0.686 1464 V HN 0.367 nan 8.190 nan 0.000 0.468 1465 L N -0.066 121.144 121.223 -0.022 0.000 2.131 1465 L HA -0.016 4.326 4.340 0.003 0.000 0.206 1465 L C 2.042 178.897 176.870 -0.025 0.000 1.087 1465 L CA 1.881 56.706 54.840 -0.024 0.000 0.767 1465 L CB -0.551 41.493 42.059 -0.025 0.000 0.917 1465 L HN 0.334 nan 8.230 nan 0.000 0.441 1466 L N -0.695 120.516 121.223 -0.021 0.000 2.240 1466 L HA -0.043 4.299 4.340 0.003 0.000 0.211 1466 L C 2.334 179.197 176.870 -0.013 0.000 1.106 1466 L CA 1.555 56.384 54.840 -0.019 0.000 0.793 1466 L CB -0.939 41.110 42.059 -0.017 0.000 0.927 1466 L HN 0.393 nan 8.230 nan 0.000 0.446 1467 Q N -0.065 119.727 119.800 -0.014 0.000 2.050 1467 Q HA -0.205 4.137 4.340 0.003 0.000 0.202 1467 Q C 2.125 178.119 176.000 -0.010 0.000 0.980 1467 Q CA 2.226 58.022 55.803 -0.011 0.000 0.840 1467 Q CB -0.806 27.924 28.738 -0.013 0.000 0.898 1467 Q HN 0.524 nan 8.270 nan 0.000 0.424 1468 L N -0.441 120.773 121.223 -0.015 0.000 2.021 1468 L HA -0.198 4.144 4.340 0.003 0.000 0.215 1468 L C 2.164 179.030 176.870 -0.006 0.000 1.074 1468 L CA 1.817 56.648 54.840 -0.015 0.000 0.760 1468 L CB -0.988 41.058 42.059 -0.022 0.000 0.889 1468 L HN 0.181 nan 8.230 nan 0.000 0.433 1469 V N 0.093 120.002 119.914 -0.007 0.000 2.220 1469 V HA -0.367 3.755 4.120 0.003 0.000 0.246 1469 V C 2.635 178.742 176.094 0.022 0.000 1.049 1469 V CA 2.473 64.775 62.300 0.002 0.000 1.003 1469 V CB -0.834 30.983 31.823 -0.009 0.000 0.634 1469 V HN 0.501 nan 8.190 nan 0.000 0.444 1470 R N 0.222 120.734 120.500 0.020 0.000 2.096 1470 R HA -0.214 4.128 4.340 0.003 0.000 0.240 1470 R C 2.041 178.355 176.300 0.023 0.000 1.139 1470 R CA 1.924 58.040 56.100 0.027 0.000 0.952 1470 R CB -0.881 29.429 30.300 0.017 0.000 0.854 1470 R HN 0.462 nan 8.270 nan 0.000 0.436 1471 D N 0.669 121.077 120.400 0.013 0.000 2.204 1471 D HA -0.211 4.431 4.640 0.003 0.000 0.189 1471 D C 1.853 178.163 176.300 0.017 0.000 1.006 1471 D CA 1.733 55.738 54.000 0.009 0.000 0.855 1471 D CB -0.195 40.606 40.800 0.000 0.000 0.946 1471 D HN 0.411 nan 8.370 nan 0.000 0.448 1472 E N -0.362 119.851 120.200 0.023 0.000 2.112 1472 E HA -0.000 4.352 4.350 0.003 0.000 0.190 1472 E C 2.401 179.034 176.600 0.054 0.000 0.979 1472 E CA -0.028 56.393 56.400 0.034 0.000 0.814 1472 E CB 0.019 29.739 29.700 0.034 0.000 0.762 1472 E HN 0.242 nan 8.360 nan 0.000 0.460 1473 L N 1.072 122.333 121.223 0.063 0.000 2.127 1473 L HA -0.192 4.149 4.340 0.003 0.000 0.211 1473 L C 2.364 179.272 176.870 0.064 0.000 1.089 1473 L CA 1.223 56.117 54.840 0.089 0.000 0.757 1473 L CB -0.686 41.436 42.059 0.106 0.000 0.899 1473 L HN 0.254 nan 8.230 nan 0.000 0.434 1474 T N -1.216 113.363 114.554 0.042 0.000 2.684 1474 T HA -0.222 4.130 4.350 0.003 0.000 0.267 1474 T C 1.796 176.509 174.700 0.022 0.000 1.036 1474 T CA 1.144 63.259 62.100 0.025 0.000 1.148 1474 T CB -0.176 68.701 68.868 0.015 0.000 0.863 1474 T HN 0.290 nan 8.240 nan 0.000 0.436 1475 E N 0.661 120.876 120.200 0.025 0.000 2.086 1475 E HA -0.155 4.197 4.350 0.003 0.000 0.200 1475 E C 2.246 178.860 176.600 0.024 0.000 1.012 1475 E CA 1.105 57.517 56.400 0.019 0.000 0.812 1475 E CB -0.219 29.497 29.700 0.026 0.000 0.743 1475 E HN 0.333 nan 8.360 nan 0.000 0.453 1476 I N 0.916 121.524 120.570 0.063 0.000 2.202 1476 I HA -0.275 3.897 4.170 0.003 0.000 0.242 1476 I C 2.765 178.919 176.117 0.062 0.000 1.091 1476 I CA 1.104 62.467 61.300 0.106 0.000 1.368 1476 I CB -1.063 37.018 38.000 0.135 0.000 1.058 1476 I HN 0.215 nan 8.210 nan 0.000 0.410 1477 R N 1.433 121.951 120.500 0.030 0.000 2.159 1477 R HA -0.259 4.083 4.340 0.003 0.000 0.249 1477 R C 1.642 177.934 176.300 -0.013 0.000 1.136 1477 R CA 2.658 58.759 56.100 0.002 0.000 0.951 1477 R CB -0.400 29.904 30.300 0.006 0.000 0.876 1477 R HN 0.451 nan 8.270 nan 0.000 0.440 1478 D N -0.821 119.565 120.400 -0.023 0.000 2.249 1478 D HA -0.113 4.529 4.640 0.003 0.000 0.205 1478 D C 1.959 178.201 176.300 -0.098 0.000 0.962 1478 D CA 0.676 54.648 54.000 -0.046 0.000 0.860 1478 D CB -0.177 40.599 40.800 -0.041 0.000 0.955 1478 D HN 0.356 nan 8.370 nan 0.000 0.505 1479 R N -0.539 119.878 120.500 -0.138 0.000 2.276 1479 R HA -0.010 4.332 4.340 0.003 0.000 0.203 1479 R C 0.722 176.657 176.300 -0.607 0.000 1.017 1479 R CA 0.690 56.582 56.100 -0.346 0.000 1.010 1479 R CB 0.154 30.242 30.300 -0.352 0.000 0.900 1479 R HN 0.045 nan 8.270 nan 0.000 0.469 1480 F N -1.911 117.962 119.950 -0.128 0.000 2.925 1480 F HA 0.364 4.892 4.527 0.003 0.000 0.355 1480 F C 0.944 176.639 175.800 -0.174 0.000 1.073 1480 F CA -0.203 57.687 58.000 -0.183 0.000 1.127 1480 F CB 0.462 39.271 39.000 -0.318 0.000 1.123 1480 F HN -0.057 nan 8.300 nan 0.000 0.551 1481 G N 1.006 109.813 108.800 0.012 0.000 2.527 1481 G HA2 0.429 4.391 3.960 0.003 0.000 0.248 1481 G HA3 0.429 4.391 3.960 0.003 0.000 0.248 1481 G C -0.788 174.154 174.900 0.069 0.000 1.231 1481 G CA 0.046 45.155 45.100 0.015 0.000 0.838 1481 G HN 0.190 nan 8.290 nan 0.000 0.570 1482 D N -0.443 120.031 120.400 0.123 0.000 2.652 1482 D HA 0.378 5.020 4.640 0.003 0.000 0.285 1482 D C -0.645 175.700 176.300 0.075 0.000 1.173 1482 D CA -0.780 53.282 54.000 0.104 0.000 0.981 1482 D CB 0.651 41.530 40.800 0.131 0.000 1.440 1482 D HN 0.254 nan 8.370 nan 0.000 0.485 1483 D N -0.729 119.696 120.400 0.041 0.000 2.440 1483 D HA 0.198 4.840 4.640 0.003 0.000 0.269 1483 D C 0.128 176.429 176.300 0.000 0.000 1.249 1483 D CA -0.415 53.596 54.000 0.018 0.000 1.055 1483 D CB 0.494 41.298 40.800 0.006 0.000 1.104 1483 D HN 0.378 nan 8.370 nan 0.000 0.561 1484 R N 0.354 120.842 120.500 -0.019 0.000 2.202 1484 R HA 0.193 4.535 4.340 0.003 0.000 0.334 1484 R C 0.738 177.007 176.300 -0.052 0.000 1.036 1484 R CA -0.274 55.796 56.100 -0.050 0.000 0.878 1484 R CB 0.556 30.821 30.300 -0.059 0.000 1.067 1484 R HN 0.294 nan 8.270 nan 0.000 0.457 1485 R N 1.565 122.024 120.500 -0.070 0.000 2.075 1485 R HA 0.016 4.358 4.340 0.003 0.000 0.226 1485 R C 0.381 176.659 176.300 -0.037 0.000 1.114 1485 R CA 0.918 56.990 56.100 -0.047 0.000 0.972 1485 R CB -0.019 30.249 30.300 -0.054 0.000 0.869 1485 R HN 0.479 nan 8.270 nan 0.000 0.437 1486 T N 1.660 116.173 114.554 -0.069 0.000 2.851 1486 T HA 0.007 4.358 4.350 0.003 0.000 0.298 1486 T C -0.233 174.429 174.700 -0.063 0.000 0.977 1486 T CA 0.016 62.081 62.100 -0.058 0.000 1.126 1486 T CB 1.015 69.784 68.868 -0.165 0.000 0.916 1486 T HN 0.095 nan 8.240 nan 0.000 0.529 1487 E N 4.455 124.635 120.200 -0.033 0.000 2.035 1487 E HA 0.228 4.580 4.350 0.003 0.000 0.271 1487 E C -0.317 176.259 176.600 -0.040 0.000 0.953 1487 E CA -0.404 55.975 56.400 -0.034 0.000 0.777 1487 E CB 0.424 30.114 29.700 -0.016 0.000 1.104 1487 E HN 0.586 nan 8.360 nan 0.000 0.408 1488 I N 3.978 124.512 120.570 -0.061 0.000 2.556 1488 I HA -0.041 4.131 4.170 0.003 0.000 0.284 1488 I C 0.975 177.068 176.117 -0.039 0.000 1.114 1488 I CA 0.483 61.746 61.300 -0.061 0.000 1.418 1488 I CB 0.712 38.662 38.000 -0.083 0.000 1.394 1488 I HN 0.451 nan 8.210 nan 0.000 0.552 1489 Q N 5.713 125.494 119.800 -0.031 0.000 2.207 1489 Q HA 0.728 5.070 4.340 0.003 0.000 0.237 1489 Q C -1.231 174.759 176.000 -0.017 0.000 0.998 1489 Q CA -0.991 54.801 55.803 -0.018 0.000 0.951 1489 Q CB 2.394 31.126 28.738 -0.009 0.000 1.213 1489 Q HN 0.506 nan 8.270 nan 0.000 0.499 1490 L N -2.574 118.644 121.223 -0.009 0.000 2.611 1490 L HA 0.890 5.232 4.340 0.003 0.000 0.263 1490 L C -0.649 176.222 176.870 0.000 0.000 0.969 1490 L CA -0.290 54.546 54.840 -0.007 0.000 0.894 1490 L CB 1.694 43.748 42.059 -0.008 0.000 1.229 1490 L HN 0.606 nan 8.230 nan 0.000 0.416 1491 G N 0.000 108.802 108.800 0.003 0.000 5.446 1491 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 1491 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 1491 G CA 0.000 45.105 45.100 0.009 0.000 0.502 1491 G HN 0.000 nan 8.290 nan 0.000 0.925