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 2o8d_1_B DATA FIRST_RESID 362 DATA SEQUENCE PTVWYHETLE WLKEEKRRDE HRRRPDHPDF DASTLYVPED FLNSCTPGMR DATA SEQUENCE KWWQIKSQNF DLVICYKVGK FYELYHMDAL IGVSELGLVF MKGNWAHSGF DATA SEQUENCE PEIAFGRYSD SLVQKGYKVA RVEQTETPEM MEARCRKMAH ISKYDRVVRR DATA SEQUENCE EICRIITKGT QTYSVLEGDP SENYSKYLLS LKEKEEDSSX HTRAYGVCFV DATA SEQUENCE DTSLGKFFIG QFSDDRHCSR FRTLVAHYPP VQVLFEKGNL SKETKTILKS DATA SEQUENCE SLSCSLQEGL IPGSQFWDAS KTLRTLLEEE YFREKLSDGI XVMLPQVLKG DATA SEQUENCE MTSESDSIGL TPGEKSELAL SALGGCVFYL KKCLIDQELL SMANFEEYIP DATA SEQUENCE LDSDTVSXXX XXXXXXKAYQ RMVLDAVTLN NLEIFLNGTN GSTEGTLLER DATA SEQUENCE VDTCHTPFGK RLLKQWLCAP LCNHYAINDR LDAIEDLMVV PDKISEVVEL DATA SEQUENCE LKKLPDLERL LSKIHNVGSP LKSQNHPDSR AIMYEETTYS KKKIIDFLSA DATA SEQUENCE LEGFKVMCKI IGIMEEVADG FKSKILKQVI SLQTKNPEGR FPDLTVELNR DATA SEQUENCE WDTAFDHEKA RKTGLITPKA GFXSDYDQAL ADIRENEQSL LEYLEKQRNR DATA SEQUENCE IGCRTIVYWG IGRNRYQLEI PENFTTRNLP XEYELKSTKK GCKRYWTKTI DATA SEQUENCE EKKLANLINA EERRDVSLKD CMRRLFYNFD KNYKDWQSAV ECIAVLDVLL DATA SEQUENCE CLANYSRGGD GPMCRPVILL PEDTPPFLEL KGSRHPCXXX XXXGDDFIPN DATA SEQUENCE DILIGCEEEE QENXKAYCVL VTGPNMGGKS TLMRQAGLLA VMAQMGCYVP DATA SEQUENCE AEVCRLTPID RVFTRLGXXX XXXXXXSTFF VELSETASIL MHATAHSLVL DATA SEQUENCE VDELGRGTAT FDGTAIANAV VKELAETIKC RTLFSTHYHS LVEDYSQNVA DATA SEQUENCE VRLGHMACMX XXXXXXXXXX XXTFLYKFIK GACPKSYGFN AARLANLPEE DATA SEQUENCE VIQKGHRKAR EFEKMNQSLR LFRE 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 362 P HA 0.000 nan 4.420 nan 0.000 0.216 362 P C 0.000 177.048 177.300 -0.420 0.000 1.155 362 P CA 0.000 62.919 63.100 -0.301 0.000 0.800 362 P CB 0.000 31.500 31.700 -0.334 0.000 0.726 363 T N -1.333 113.055 114.554 -0.276 0.000 2.867 363 T HA 0.109 4.459 4.350 0.001 0.000 0.268 363 T C 0.716 175.227 174.700 -0.316 0.000 1.057 363 T CA 0.986 62.933 62.100 -0.256 0.000 1.136 363 T CB 0.019 68.797 68.868 -0.149 0.000 0.874 363 T HN 0.258 nan 8.240 nan 0.000 0.466 364 V N 0.445 120.171 119.914 -0.313 0.000 2.789 364 V HA 0.457 4.577 4.120 0.001 0.000 0.311 364 V C -1.072 174.868 176.094 -0.257 0.000 1.073 364 V CA -1.941 60.195 62.300 -0.273 0.000 0.921 364 V CB 2.038 33.783 31.823 -0.131 0.000 1.009 364 V HN 0.531 nan 8.190 nan 0.000 0.426 365 W N 2.183 123.438 121.300 -0.074 0.000 2.184 365 W HA 0.296 4.956 4.660 0.001 0.000 0.338 365 W C 1.252 177.796 176.519 0.042 0.000 1.257 365 W CA 0.002 57.346 57.345 -0.002 0.000 1.243 365 W CB 0.279 29.738 29.460 -0.001 0.000 1.122 365 W HN 0.765 nan 8.180 nan 0.000 0.585 366 Y N 2.314 122.872 120.300 0.431 0.000 2.114 366 Y HA -0.427 4.123 4.550 0.001 0.000 0.282 366 Y C 2.838 178.869 175.900 0.219 0.000 1.165 366 Y CA 2.654 60.943 58.100 0.316 0.000 1.148 366 Y CB -0.613 38.107 38.460 0.434 0.000 0.972 366 Y HN 0.523 nan 8.280 nan 0.000 0.504 367 H N -0.813 118.388 119.070 0.218 0.000 2.489 367 H HA -0.082 4.475 4.556 0.001 0.000 0.293 367 H C 1.266 176.539 175.328 -0.091 0.000 1.066 367 H CA 1.546 57.581 56.048 -0.023 0.000 1.305 367 H CB -0.625 29.234 29.762 0.162 0.000 1.386 367 H HN 0.546 nan 8.280 nan 0.000 0.551 368 E N 0.954 120.876 120.200 -0.463 0.000 2.516 368 E HA -0.057 4.293 4.350 0.001 0.000 0.199 368 E C 1.491 177.956 176.600 -0.225 0.000 1.069 368 E CA 1.122 57.334 56.400 -0.313 0.000 0.876 368 E CB 0.181 29.732 29.700 -0.249 0.000 0.843 368 E HN 0.723 nan 8.360 nan 0.000 0.530 369 T N -2.052 112.338 114.554 -0.273 0.000 3.040 369 T HA 0.171 4.522 4.350 0.001 0.000 0.250 369 T C 0.657 175.141 174.700 -0.359 0.000 1.058 369 T CA -0.320 61.626 62.100 -0.257 0.000 0.988 369 T CB -0.015 68.731 68.868 -0.202 0.000 0.993 369 T HN -0.065 nan 8.240 nan 0.000 0.519 370 L N 2.618 123.523 121.223 -0.529 0.000 2.369 370 L HA 0.312 4.652 4.340 0.001 0.000 0.279 370 L C 1.483 177.894 176.870 -0.765 0.000 1.108 370 L CA -0.688 53.653 54.840 -0.831 0.000 0.852 370 L CB 0.686 41.943 42.059 -1.337 0.000 1.169 370 L HN 0.061 nan 8.230 nan 0.000 0.452 371 E N 4.033 123.894 120.200 -0.566 0.000 2.077 371 E HA -0.195 4.155 4.350 0.001 0.000 0.193 371 E C 1.731 178.184 176.600 -0.245 0.000 0.989 371 E CA 1.462 57.684 56.400 -0.297 0.000 0.800 371 E CB -0.058 29.576 29.700 -0.110 0.000 0.746 371 E HN 0.813 nan 8.360 nan 0.000 0.452 372 W N 0.186 121.414 121.300 -0.121 0.000 2.961 372 W HA 0.076 4.737 4.660 0.001 0.000 0.240 372 W C 1.160 177.622 176.519 -0.096 0.000 1.305 372 W CA -0.120 57.167 57.345 -0.097 0.000 1.465 372 W CB -0.509 28.866 29.460 -0.143 0.000 1.135 372 W HN -0.009 nan 8.180 nan 0.000 0.688 373 L N 1.424 122.426 121.223 -0.367 0.000 2.537 373 L HA 0.302 4.643 4.340 0.001 0.000 0.224 373 L C 0.989 177.848 176.870 -0.019 0.000 1.065 373 L CA 0.452 55.182 54.840 -0.182 0.000 0.860 373 L CB -0.314 41.499 42.059 -0.409 0.000 1.086 373 L HN -0.338 nan 8.230 nan 0.000 0.482 374 K N 0.925 121.280 120.400 -0.075 0.000 2.448 374 K HA -0.029 4.292 4.320 0.001 0.000 0.278 374 K C 0.953 177.582 176.600 0.048 0.000 1.009 374 K CA 0.086 56.370 56.287 -0.005 0.000 0.995 374 K CB 0.555 33.031 32.500 -0.041 0.000 0.917 374 K HN 0.165 nan 8.250 nan 0.000 0.481 375 E N 2.240 122.487 120.200 0.078 0.000 2.233 375 E HA -0.266 4.085 4.350 0.001 0.000 0.199 375 E C 0.953 177.586 176.600 0.055 0.000 1.004 375 E CA 1.524 57.977 56.400 0.088 0.000 0.819 375 E CB 0.072 29.828 29.700 0.093 0.000 0.738 375 E HN 0.532 nan 8.360 nan 0.000 0.478 376 E N 0.188 120.411 120.200 0.038 0.000 2.268 376 E HA -0.106 4.244 4.350 0.001 0.000 0.195 376 E C 1.294 177.912 176.600 0.030 0.000 0.995 376 E CA 0.832 57.247 56.400 0.025 0.000 0.836 376 E CB 0.172 29.882 29.700 0.016 0.000 0.763 376 E HN 0.114 nan 8.360 nan 0.000 0.491 377 K N -0.140 120.287 120.400 0.046 0.000 2.481 377 K HA 0.148 4.469 4.320 0.001 0.000 0.210 377 K C 0.314 176.980 176.600 0.110 0.000 1.161 377 K CA -0.355 55.973 56.287 0.068 0.000 1.023 377 K CB 0.879 33.421 32.500 0.070 0.000 0.971 377 K HN -0.102 nan 8.250 nan 0.000 0.577 378 R N 2.173 122.739 120.500 0.110 0.000 2.697 378 R HA 0.039 4.379 4.340 0.001 0.000 0.265 378 R C -0.565 175.833 176.300 0.164 0.000 1.009 378 R CA 0.809 56.992 56.100 0.139 0.000 1.099 378 R CB 0.475 30.844 30.300 0.115 0.000 0.965 378 R HN 0.032 nan 8.270 nan 0.000 0.428 379 R N 1.778 122.390 120.500 0.188 0.000 2.781 379 R HA 0.200 4.540 4.340 0.001 0.000 0.269 379 R C -1.082 175.317 176.300 0.166 0.000 1.025 379 R CA -1.052 55.180 56.100 0.220 0.000 0.914 379 R CB 1.003 31.375 30.300 0.120 0.000 1.236 379 R HN 0.641 nan 8.270 nan 0.000 0.465 380 D N 1.165 121.650 120.400 0.142 0.000 2.352 380 D HA -0.066 4.574 4.640 0.001 0.000 0.238 380 D C 1.096 177.400 176.300 0.007 0.000 1.286 380 D CA 0.339 54.318 54.000 -0.036 0.000 0.923 380 D CB 0.633 41.408 40.800 -0.041 0.000 1.146 380 D HN 0.552 nan 8.370 nan 0.000 0.471 381 E N -0.508 119.667 120.200 -0.042 0.000 2.058 381 E HA -0.219 4.131 4.350 0.001 0.000 0.194 381 E C 0.749 177.259 176.600 -0.151 0.000 0.997 381 E CA 1.092 57.435 56.400 -0.094 0.000 0.801 381 E CB 0.051 29.657 29.700 -0.158 0.000 0.746 381 E HN 0.452 nan 8.360 nan 0.000 0.450 382 H N -0.065 118.972 119.070 -0.055 0.000 2.592 382 H HA 0.199 4.755 4.556 0.001 0.000 0.291 382 H C 0.063 175.315 175.328 -0.127 0.000 1.052 382 H CA 0.262 56.262 56.048 -0.080 0.000 1.175 382 H CB 0.073 29.777 29.762 -0.096 0.000 1.378 382 H HN 0.172 nan 8.280 nan 0.000 0.576 383 R N 0.528 120.979 120.500 -0.082 0.000 3.651 383 R HA -0.165 4.176 4.340 0.001 0.000 0.292 383 R C -0.279 175.980 176.300 -0.069 0.000 1.161 383 R CA 0.382 56.356 56.100 -0.210 0.000 0.787 383 R CB -1.436 28.623 30.300 -0.400 0.000 1.249 383 R HN 0.356 nan 8.270 nan 0.000 0.476 384 R N 0.720 121.231 120.500 0.018 0.000 2.457 384 R HA 0.410 4.751 4.340 0.001 0.000 0.284 384 R C 0.258 176.718 176.300 0.266 0.000 1.024 384 R CA -0.973 55.174 56.100 0.077 0.000 1.025 384 R CB 1.014 31.254 30.300 -0.099 0.000 1.063 384 R HN -0.071 nan 8.270 nan 0.000 0.493 385 R N 2.258 122.881 120.500 0.205 0.000 2.486 385 R HA 0.258 4.598 4.340 0.001 0.000 0.286 385 R C -1.945 174.221 176.300 -0.224 0.000 0.999 385 R CA -2.231 53.906 56.100 0.061 0.000 0.993 385 R CB 0.695 31.014 30.300 0.031 0.000 1.084 385 R HN 0.265 nan 8.270 nan 0.000 0.487 386 P HA -0.219 nan 4.420 nan 0.000 0.219 386 P C -0.035 176.929 177.300 -0.560 0.000 1.149 386 P CA 1.612 63.908 63.100 -1.340 0.000 0.835 386 P CB 0.099 31.351 31.700 -0.746 0.000 0.778 387 D N -3.436 116.821 120.400 -0.238 0.000 2.349 387 D HA -0.118 4.522 4.640 0.001 0.000 0.224 387 D C 0.639 176.939 176.300 -0.000 0.000 1.029 387 D CA 0.269 54.214 54.000 -0.091 0.000 0.879 387 D CB -1.105 39.656 40.800 -0.066 0.000 0.906 387 D HN 0.235 nan 8.370 nan 0.000 0.528 388 H N 1.508 120.563 119.070 -0.025 0.000 2.803 388 H HA 0.093 4.649 4.556 0.001 0.000 0.330 388 H C -1.510 173.881 175.328 0.105 0.000 1.057 388 H CA -1.236 54.850 56.048 0.063 0.000 1.458 388 H CB 1.800 31.640 29.762 0.131 0.000 1.470 388 H HN -0.173 nan 8.280 nan 0.000 0.560 389 P HA -0.113 nan 4.420 nan 0.000 0.218 389 P C 0.243 177.709 177.300 0.277 0.000 1.148 389 P CA 1.243 64.444 63.100 0.167 0.000 0.822 389 P CB 0.409 32.139 31.700 0.050 0.000 0.784 390 D N -2.055 118.634 120.400 0.481 0.000 2.388 390 D HA 0.070 4.711 4.640 0.001 0.000 0.221 390 D C 0.155 176.529 176.300 0.123 0.000 1.133 390 D CA -0.396 53.737 54.000 0.222 0.000 0.831 390 D CB -0.719 40.156 40.800 0.125 0.000 0.962 390 D HN 0.134 nan 8.370 nan 0.000 0.502 391 F N 2.319 122.317 119.950 0.080 0.000 2.608 391 F HA 0.060 4.588 4.527 0.001 0.000 0.380 391 F C 0.424 176.254 175.800 0.049 0.000 1.083 391 F CA -0.199 57.821 58.000 0.033 0.000 1.266 391 F CB 0.624 39.680 39.000 0.093 0.000 1.076 391 F HN -0.267 nan 8.300 nan 0.000 0.574 392 D N 5.612 125.618 120.400 -0.657 0.000 2.472 392 D HA 0.326 4.967 4.640 0.001 0.000 0.234 392 D C 0.749 176.634 176.300 -0.692 0.000 1.088 392 D CA 0.058 53.785 54.000 -0.455 0.000 0.882 392 D CB 1.294 41.973 40.800 -0.201 0.000 1.037 392 D HN 0.700 nan 8.370 nan 0.000 0.520 393 A N 2.700 125.248 122.820 -0.453 0.000 2.032 393 A HA -0.176 4.145 4.320 0.001 0.000 0.221 393 A C 1.897 179.519 177.584 0.063 0.000 1.165 393 A CA 1.832 53.802 52.037 -0.112 0.000 0.645 393 A CB -0.387 18.750 19.000 0.228 0.000 0.807 393 A HN 0.551 nan 8.150 nan 0.000 0.453 394 S N -0.832 114.889 115.700 0.035 0.000 2.650 394 S HA 0.142 4.612 4.470 0.001 0.000 0.219 394 S C 0.701 175.378 174.600 0.128 0.000 0.960 394 S CA 0.558 58.834 58.200 0.127 0.000 0.925 394 S CB -0.938 62.324 63.200 0.104 0.000 0.775 394 S HN 0.744 nan 8.310 nan 0.000 0.525 395 T N -0.441 114.128 114.554 0.024 0.000 2.916 395 T HA 0.757 5.107 4.350 0.001 0.000 0.292 395 T C -1.092 173.542 174.700 -0.110 0.000 1.064 395 T CA -0.946 61.152 62.100 -0.003 0.000 1.011 395 T CB 1.717 70.561 68.868 -0.040 0.000 1.152 395 T HN 0.237 nan 8.240 nan 0.000 0.510 396 L N 1.376 122.535 121.223 -0.106 0.000 2.464 396 L HA 0.582 4.922 4.340 0.001 0.000 0.266 396 L C -1.566 175.256 176.870 -0.081 0.000 0.965 396 L CA -1.052 53.663 54.840 -0.209 0.000 0.833 396 L CB 1.936 43.809 42.059 -0.310 0.000 1.296 396 L HN 0.853 nan 8.230 nan 0.000 0.405 397 Y N 5.475 125.678 120.300 -0.162 0.000 2.539 397 Y HA 0.570 5.121 4.550 0.001 0.000 0.352 397 Y C -0.999 174.692 175.900 -0.349 0.000 1.004 397 Y CA -0.366 57.618 58.100 -0.194 0.000 1.278 397 Y CB 0.648 39.024 38.460 -0.139 0.000 1.136 397 Y HN 0.381 nan 8.280 nan 0.000 0.528 398 V N 9.826 129.151 119.914 -0.981 0.000 2.347 398 V HA 0.322 4.443 4.120 0.001 0.000 0.280 398 V C -2.031 173.208 176.094 -1.425 0.000 1.021 398 V CA -2.102 59.382 62.300 -1.360 0.000 0.847 398 V CB 1.027 32.351 31.823 -0.832 0.000 0.990 398 V HN 0.720 nan 8.190 nan 0.000 0.444 399 P HA 0.020 nan 4.420 nan 0.000 0.265 399 P C 0.843 177.861 177.300 -0.470 0.000 1.193 399 P CA 0.269 62.808 63.100 -0.935 0.000 0.765 399 P CB 1.078 32.381 31.700 -0.662 0.000 0.823 400 E N 2.477 122.524 120.200 -0.255 0.000 2.086 400 E HA -0.284 4.066 4.350 0.001 0.000 0.200 400 E C 1.043 177.584 176.600 -0.098 0.000 1.012 400 E CA 1.940 58.256 56.400 -0.139 0.000 0.812 400 E CB -0.031 29.630 29.700 -0.064 0.000 0.743 400 E HN 0.548 nan 8.360 nan 0.000 0.453 401 D N -0.653 119.705 120.400 -0.069 0.000 2.349 401 D HA -0.123 4.518 4.640 0.001 0.000 0.224 401 D C 1.625 177.915 176.300 -0.017 0.000 1.029 401 D CA 0.140 54.121 54.000 -0.032 0.000 0.879 401 D CB -0.457 40.340 40.800 -0.006 0.000 0.906 401 D HN 0.289 nan 8.370 nan 0.000 0.528 402 F N 1.019 120.851 119.950 -0.196 0.000 2.147 402 F HA 0.128 4.656 4.527 0.001 0.000 0.291 402 F C 1.999 177.708 175.800 -0.152 0.000 1.093 402 F CA 0.674 58.569 58.000 -0.175 0.000 1.263 402 F CB -0.201 38.611 39.000 -0.314 0.000 1.036 402 F HN -0.137 nan 8.300 nan 0.000 0.481 403 L N 0.715 121.879 121.223 -0.099 0.000 1.990 403 L HA -0.328 4.012 4.340 0.001 0.000 0.213 403 L C 2.015 178.830 176.870 -0.091 0.000 1.072 403 L CA 1.729 56.509 54.840 -0.100 0.000 0.755 403 L CB -1.021 41.000 42.059 -0.063 0.000 0.889 403 L HN 0.190 nan 8.230 nan 0.000 0.432 404 N N -0.907 117.756 118.700 -0.061 0.000 2.519 404 N HA -0.151 4.590 4.740 0.001 0.000 0.186 404 N C 1.692 177.201 175.510 -0.002 0.000 1.062 404 N CA 1.060 54.119 53.050 0.014 0.000 0.910 404 N CB -0.129 38.367 38.487 0.015 0.000 0.958 404 N HN 0.154 nan 8.380 nan 0.000 0.445 405 S N -0.643 114.989 115.700 -0.114 0.000 2.557 405 S HA 0.186 4.656 4.470 0.001 0.000 0.223 405 S C 0.456 174.942 174.600 -0.190 0.000 0.969 405 S CA -0.613 57.501 58.200 -0.144 0.000 0.927 405 S CB -0.174 62.923 63.200 -0.171 0.000 0.806 405 S HN 0.199 nan 8.310 nan 0.000 0.489 406 C N 2.294 121.496 119.300 -0.162 0.000 2.347 406 C HA 0.644 5.104 4.460 0.001 0.000 0.366 406 C C 1.014 175.996 174.990 -0.013 0.000 1.241 406 C CA -0.833 58.116 59.018 -0.114 0.000 2.360 406 C CB 0.835 28.564 27.740 -0.019 0.000 2.290 406 C HN 0.629 nan 8.230 nan 0.000 0.587 407 T N -0.438 114.099 114.554 -0.028 0.000 2.913 407 T HA 0.205 4.556 4.350 0.001 0.000 0.297 407 T C -1.880 172.877 174.700 0.095 0.000 1.029 407 T CA -0.899 61.195 62.100 -0.010 0.000 1.104 407 T CB 0.622 69.451 68.868 -0.066 0.000 0.964 407 T HN 0.454 nan 8.240 nan 0.000 0.532 408 P HA -0.148 nan 4.420 nan 0.000 0.217 408 P C 1.871 179.321 177.300 0.249 0.000 1.162 408 P CA 1.772 65.031 63.100 0.264 0.000 0.901 408 P CB -0.462 31.349 31.700 0.185 0.000 0.793 409 G N -1.171 107.754 108.800 0.207 0.000 2.440 409 G HA2 -0.288 3.672 3.960 0.001 0.000 0.218 409 G HA3 -0.288 3.672 3.960 0.001 0.000 0.218 409 G C 1.533 176.639 174.900 0.344 0.000 1.154 409 G CA 1.292 46.572 45.100 0.300 0.000 0.767 409 G HN 0.208 nan 8.290 nan 0.000 0.552 410 M N 0.375 120.095 119.600 0.199 0.000 2.132 410 M HA 0.138 4.619 4.480 0.001 0.000 0.263 410 M C 2.383 178.907 176.300 0.375 0.000 1.065 410 M CA 1.433 56.837 55.300 0.173 0.000 1.122 410 M CB -0.343 32.262 32.600 0.008 0.000 1.365 410 M HN 0.246 nan 8.290 nan 0.000 0.411 411 R N -0.183 120.513 120.500 0.326 0.000 2.091 411 R HA -0.237 4.104 4.340 0.001 0.000 0.238 411 R C 2.160 178.644 176.300 0.306 0.000 1.136 411 R CA 2.003 58.300 56.100 0.328 0.000 0.959 411 R CB -0.294 30.128 30.300 0.204 0.000 0.856 411 R HN 0.237 nan 8.270 nan 0.000 0.437 412 K N 0.202 120.764 120.400 0.270 0.000 2.009 412 K HA -0.219 4.101 4.320 0.001 0.000 0.210 412 K C 1.670 178.399 176.600 0.215 0.000 1.049 412 K CA 2.085 58.517 56.287 0.242 0.000 0.929 412 K CB -0.869 31.820 32.500 0.315 0.000 0.714 412 K HN 0.412 nan 8.250 nan 0.000 0.440 413 W N -0.302 120.959 121.300 -0.064 0.000 2.338 413 W HA -0.191 4.469 4.660 0.001 0.000 0.304 413 W C 1.495 177.945 176.519 -0.114 0.000 1.212 413 W CA 1.973 59.095 57.345 -0.371 0.000 1.264 413 W CB -0.462 28.607 29.460 -0.652 0.000 1.142 413 W HN 0.210 nan 8.180 nan 0.000 0.512 414 W N 0.347 121.862 121.300 0.359 0.000 2.425 414 W HA -0.161 4.499 4.660 0.001 0.000 0.277 414 W C 2.586 179.101 176.519 -0.006 0.000 1.231 414 W CA 1.413 58.897 57.345 0.233 0.000 1.248 414 W CB -0.508 29.191 29.460 0.398 0.000 1.117 414 W HN -0.014 nan 8.180 nan 0.000 0.568 415 Q N -0.323 119.598 119.800 0.203 0.000 2.079 415 Q HA -0.200 4.141 4.340 0.001 0.000 0.200 415 Q C 2.120 178.115 176.000 -0.010 0.000 0.974 415 Q CA 1.230 57.078 55.803 0.076 0.000 0.840 415 Q CB -0.349 28.419 28.738 0.051 0.000 0.898 415 Q HN 0.238 nan 8.270 nan 0.000 0.430 416 I N 1.186 121.703 120.570 -0.087 0.000 2.179 416 I HA -0.251 3.919 4.170 0.001 0.000 0.242 416 I C 2.295 178.283 176.117 -0.216 0.000 1.088 416 I CA 1.381 62.588 61.300 -0.155 0.000 1.357 416 I CB -1.017 36.857 38.000 -0.210 0.000 1.051 416 I HN 0.136 nan 8.210 nan 0.000 0.409 417 K N 1.442 121.607 120.400 -0.392 0.000 2.026 417 K HA -0.171 4.149 4.320 0.001 0.000 0.208 417 K C 2.425 179.047 176.600 0.036 0.000 1.048 417 K CA 2.032 58.129 56.287 -0.316 0.000 0.929 417 K CB -0.673 31.460 32.500 -0.612 0.000 0.713 417 K HN 0.172 nan 8.250 nan 0.000 0.439 418 S N -0.102 115.652 115.700 0.089 0.000 2.374 418 S HA -0.207 4.264 4.470 0.001 0.000 0.227 418 S C 1.897 176.526 174.600 0.048 0.000 1.037 418 S CA 1.466 59.718 58.200 0.087 0.000 1.024 418 S CB -0.311 62.908 63.200 0.032 0.000 0.861 418 S HN 0.439 nan 8.310 nan 0.000 0.456 419 Q N 0.510 120.320 119.800 0.018 0.000 2.311 419 Q HA 0.160 4.500 4.340 0.001 0.000 0.203 419 Q C 0.037 176.059 176.000 0.036 0.000 0.954 419 Q CA 0.644 56.456 55.803 0.014 0.000 0.885 419 Q CB -0.097 28.637 28.738 -0.006 0.000 0.963 419 Q HN 0.600 nan 8.270 nan 0.000 0.471 420 N N -0.150 118.574 118.700 0.039 0.000 2.733 420 N HA 0.069 4.809 4.740 0.001 0.000 0.271 420 N C -0.255 175.309 175.510 0.090 0.000 1.720 420 N CA -0.076 53.001 53.050 0.045 0.000 0.803 420 N CB 0.261 38.736 38.487 -0.019 0.000 1.208 420 N HN 0.023 nan 8.380 nan 0.000 0.498 421 F N 2.520 122.473 119.950 0.005 0.000 2.293 421 F HA -0.107 4.420 4.527 0.001 0.000 0.300 421 F C 1.597 177.438 175.800 0.068 0.000 1.086 421 F CA 1.188 59.214 58.000 0.043 0.000 1.375 421 F CB 0.346 39.393 39.000 0.079 0.000 1.045 421 F HN 0.196 nan 8.300 nan 0.000 0.516 422 D N -0.008 120.408 120.400 0.027 0.000 2.319 422 D HA 0.034 4.674 4.640 0.001 0.000 0.230 422 D C 0.063 176.360 176.300 -0.005 0.000 1.094 422 D CA 0.329 54.320 54.000 -0.016 0.000 0.856 422 D CB -0.633 40.216 40.800 0.081 0.000 0.915 422 D HN 0.227 nan 8.370 nan 0.000 0.517 423 L N 0.295 121.500 121.223 -0.030 0.000 2.346 423 L HA 0.436 4.777 4.340 0.001 0.000 0.274 423 L C -0.241 176.622 176.870 -0.012 0.000 1.007 423 L CA -1.498 53.344 54.840 0.002 0.000 0.818 423 L CB 2.589 44.646 42.059 -0.004 0.000 1.284 423 L HN -0.288 nan 8.230 nan 0.000 0.424 424 V N 3.803 123.738 119.914 0.035 0.000 2.455 424 V HA 0.252 4.373 4.120 0.001 0.000 0.273 424 V C 0.304 176.421 176.094 0.039 0.000 1.045 424 V CA -0.049 62.266 62.300 0.025 0.000 0.976 424 V CB 1.094 32.916 31.823 -0.001 0.000 0.993 424 V HN 0.454 nan 8.190 nan 0.000 0.475 425 I N 4.364 124.965 120.570 0.050 0.000 2.312 425 I HA 0.269 4.439 4.170 0.001 0.000 0.290 425 I C -0.132 176.076 176.117 0.151 0.000 1.008 425 I CA -0.152 61.191 61.300 0.073 0.000 1.226 425 I CB 1.177 39.154 38.000 -0.039 0.000 1.371 425 I HN 0.553 nan 8.210 nan 0.000 0.468 426 C N 6.805 126.207 119.300 0.170 0.000 2.158 426 C HA 0.188 4.649 4.460 0.001 0.000 0.350 426 C C 0.102 175.266 174.990 0.290 0.000 1.064 426 C CA -0.521 58.618 59.018 0.202 0.000 1.507 426 C CB -1.538 26.337 27.740 0.226 0.000 1.934 426 C HN 0.476 nan 8.230 nan 0.000 0.479 427 Y N 3.330 123.667 120.300 0.062 0.000 2.452 427 Y HA 0.253 4.803 4.550 0.001 0.000 0.348 427 Y C 0.735 176.656 175.900 0.035 0.000 0.985 427 Y CA -0.266 57.864 58.100 0.050 0.000 1.214 427 Y CB 0.212 38.653 38.460 -0.033 0.000 1.136 427 Y HN 0.588 nan 8.280 nan 0.000 0.523 428 K N 5.240 125.567 120.400 -0.122 0.000 2.338 428 K HA 0.403 4.723 4.320 0.001 0.000 0.290 428 K C -1.575 174.852 176.600 -0.288 0.000 1.069 428 K CA -0.235 55.909 56.287 -0.239 0.000 0.941 428 K CB 0.198 32.529 32.500 -0.281 0.000 1.023 428 K HN 0.489 nan 8.250 nan 0.000 0.477 429 V N 5.640 125.457 119.914 -0.160 0.000 2.304 429 V HA 0.386 4.506 4.120 0.001 0.000 0.278 429 V C 0.910 176.992 176.094 -0.020 0.000 1.018 429 V CA 0.096 62.361 62.300 -0.059 0.000 0.814 429 V CB 0.109 31.976 31.823 0.072 0.000 1.021 429 V HN 1.182 nan 8.190 nan 0.000 0.440 430 G N 4.711 113.485 108.800 -0.042 0.000 2.561 430 G HA2 -0.361 3.599 3.960 0.001 0.000 0.289 430 G HA3 -0.361 3.599 3.960 0.001 0.000 0.289 430 G C 0.962 175.680 174.900 -0.303 0.000 1.169 430 G CA 0.784 45.829 45.100 -0.092 0.000 0.980 430 G HN 0.786 nan 8.290 nan 0.000 0.550 431 K N 0.114 120.238 120.400 -0.460 0.000 2.426 431 K HA 0.330 4.651 4.320 0.001 0.000 0.193 431 K C -0.014 176.193 176.600 -0.654 0.000 1.028 431 K CA -0.032 55.804 56.287 -0.753 0.000 1.047 431 K CB -0.039 31.965 32.500 -0.826 0.000 0.821 431 K HN 0.266 nan 8.250 nan 0.000 0.513 432 F N 0.553 120.308 119.950 -0.325 0.000 2.443 432 F HA 0.283 4.811 4.527 0.001 0.000 0.335 432 F C -0.316 175.237 175.800 -0.412 0.000 1.104 432 F CA -1.128 56.691 58.000 -0.300 0.000 1.013 432 F CB 0.831 39.716 39.000 -0.192 0.000 1.136 432 F HN -0.154 nan 8.300 nan 0.000 0.470 433 Y N 2.123 122.301 120.300 -0.203 0.000 2.365 433 Y HA 0.298 4.848 4.550 0.001 0.000 0.340 433 Y C 0.255 175.870 175.900 -0.474 0.000 1.016 433 Y CA -0.439 57.436 58.100 -0.375 0.000 1.196 433 Y CB 0.451 38.578 38.460 -0.556 0.000 1.167 433 Y HN 0.521 nan 8.280 nan 0.000 0.509 434 E N 3.765 123.899 120.200 -0.110 0.000 2.244 434 E HA 0.625 4.975 4.350 0.001 0.000 0.266 434 E C -1.301 175.180 176.600 -0.198 0.000 0.914 434 E CA -0.976 55.337 56.400 -0.146 0.000 0.794 434 E CB 2.293 31.983 29.700 -0.017 0.000 1.210 434 E HN 0.462 nan 8.360 nan 0.000 0.414 435 L N 2.581 123.708 121.223 -0.159 0.000 2.356 435 L HA 0.470 4.810 4.340 0.001 0.000 0.277 435 L C -1.186 175.639 176.870 -0.074 0.000 0.996 435 L CA -0.994 53.777 54.840 -0.115 0.000 0.822 435 L CB 0.535 42.565 42.059 -0.048 0.000 1.256 435 L HN 0.429 nan 8.230 nan 0.000 0.413 436 Y N 1.838 121.994 120.300 -0.241 0.000 2.496 436 Y HA 0.480 5.031 4.550 0.001 0.000 0.331 436 Y C 1.141 176.753 175.900 -0.480 0.000 1.140 436 Y CA -1.077 56.643 58.100 -0.634 0.000 1.166 436 Y CB 0.698 38.253 38.460 -1.508 0.000 1.249 436 Y HN 0.564 nan 8.280 nan 0.000 0.479 437 H N 0.654 119.645 119.070 -0.132 0.000 1.452 437 H HA -0.380 4.176 4.556 0.001 0.000 0.090 437 H C 1.933 176.944 175.328 -0.527 0.000 1.026 437 H CA 2.105 57.944 56.048 -0.347 0.000 1.901 437 H CB -1.320 28.233 29.762 -0.347 0.000 2.257 437 H HN 0.742 nan 8.280 nan 0.000 0.961 438 M N 0.316 119.640 119.600 -0.459 0.000 2.106 438 M HA -0.136 4.344 4.480 0.001 0.000 0.259 438 M C 1.366 177.667 176.300 0.002 0.000 1.068 438 M CA 2.832 58.045 55.300 -0.144 0.000 1.100 438 M CB -0.492 32.129 32.600 0.034 0.000 1.351 438 M HN 0.181 nan 8.290 nan 0.000 0.404 439 D N 1.265 121.689 120.400 0.040 0.000 2.219 439 D HA 0.027 4.667 4.640 0.001 0.000 0.205 439 D C 2.272 178.553 176.300 -0.033 0.000 0.970 439 D CA 1.630 55.645 54.000 0.025 0.000 0.851 439 D CB -0.196 40.664 40.800 0.100 0.000 0.943 439 D HN 0.567 nan 8.370 nan 0.000 0.488 440 A N 0.528 123.320 122.820 -0.047 0.000 1.969 440 A HA -0.072 4.249 4.320 0.001 0.000 0.218 440 A C 2.293 179.831 177.584 -0.078 0.000 1.169 440 A CA 0.630 52.613 52.037 -0.090 0.000 0.635 440 A CB -0.585 18.361 19.000 -0.088 0.000 0.810 440 A HN 0.194 nan 8.150 nan 0.000 0.445 441 L N -0.609 120.646 121.223 0.054 0.000 2.046 441 L HA -0.192 4.148 4.340 0.001 0.000 0.208 441 L C 2.473 179.364 176.870 0.034 0.000 1.077 441 L CA 1.352 56.288 54.840 0.159 0.000 0.747 441 L CB -0.634 41.562 42.059 0.228 0.000 0.896 441 L HN 0.366 nan 8.230 nan 0.000 0.432 442 I N -0.017 120.537 120.570 -0.026 0.000 2.179 442 I HA -0.201 3.969 4.170 0.001 0.000 0.242 442 I C 2.720 178.737 176.117 -0.167 0.000 1.088 442 I CA 1.443 62.672 61.300 -0.119 0.000 1.357 442 I CB -0.979 36.862 38.000 -0.264 0.000 1.051 442 I HN 0.266 nan 8.210 nan 0.000 0.409 443 G N 0.639 109.335 108.800 -0.174 0.000 2.513 443 G HA2 -0.232 3.729 3.960 0.001 0.000 0.219 443 G HA3 -0.232 3.729 3.960 0.001 0.000 0.219 443 G C 1.690 176.463 174.900 -0.212 0.000 1.160 443 G CA 1.256 46.247 45.100 -0.182 0.000 0.767 443 G HN 0.268 nan 8.290 nan 0.000 0.571 444 V N 0.345 120.073 119.914 -0.310 0.000 2.453 444 V HA -0.109 4.012 4.120 0.001 0.000 0.247 444 V C 2.980 178.984 176.094 -0.150 0.000 1.048 444 V CA 2.126 64.207 62.300 -0.365 0.000 1.049 444 V CB 0.028 31.352 31.823 -0.833 0.000 0.672 444 V HN 0.494 nan 8.190 nan 0.000 0.457 445 S N -0.570 115.087 115.700 -0.072 0.000 2.371 445 S HA -0.133 4.337 4.470 0.001 0.000 0.224 445 S C 1.870 176.475 174.600 0.008 0.000 1.029 445 S CA 1.281 59.488 58.200 0.012 0.000 0.978 445 S CB -0.080 63.160 63.200 0.066 0.000 0.833 445 S HN 0.640 nan 8.310 nan 0.000 0.466 446 E N 0.224 120.411 120.200 -0.022 0.000 2.364 446 E HA 0.211 4.561 4.350 0.001 0.000 0.196 446 E C 1.479 178.073 176.600 -0.011 0.000 0.990 446 E CA 0.320 56.717 56.400 -0.004 0.000 0.886 446 E CB 0.210 29.892 29.700 -0.030 0.000 0.866 446 E HN 0.515 nan 8.360 nan 0.000 0.493 447 L N -0.963 120.246 121.223 -0.024 0.000 2.817 447 L HA 0.337 4.677 4.340 0.001 0.000 0.248 447 L C 1.155 178.063 176.870 0.062 0.000 1.133 447 L CA 0.334 55.199 54.840 0.042 0.000 0.935 447 L CB 0.567 42.677 42.059 0.085 0.000 1.266 447 L HN 0.125 nan 8.230 nan 0.000 0.535 448 G N 1.368 110.164 108.800 -0.006 0.000 2.137 448 G HA2 -0.247 3.714 3.960 0.001 0.000 0.237 448 G HA3 -0.247 3.714 3.960 0.001 0.000 0.237 448 G C 0.178 175.057 174.900 -0.035 0.000 1.002 448 G CA -0.071 45.024 45.100 -0.010 0.000 0.702 448 G HN 0.182 nan 8.290 nan 0.000 0.515 449 L N -0.228 120.932 121.223 -0.105 0.000 2.472 449 L HA 0.603 4.944 4.340 0.001 0.000 0.260 449 L C 1.399 178.133 176.870 -0.227 0.000 1.209 449 L CA -0.546 54.196 54.840 -0.164 0.000 0.817 449 L CB 0.852 42.770 42.059 -0.235 0.000 1.106 449 L HN 0.290 nan 8.230 nan 0.000 0.479 450 V N -1.995 117.795 119.914 -0.207 0.000 2.834 450 V HA 0.461 4.581 4.120 0.001 0.000 0.313 450 V C -0.450 175.482 176.094 -0.269 0.000 1.060 450 V CA -0.831 61.356 62.300 -0.187 0.000 0.989 450 V CB 1.482 33.264 31.823 -0.067 0.000 1.041 450 V HN 0.346 nan 8.190 nan 0.000 0.459 451 F N 2.605 122.520 119.950 -0.059 0.000 2.427 451 F HA 0.576 5.104 4.527 0.001 0.000 0.352 451 F C 0.789 176.507 175.800 -0.136 0.000 1.100 451 F CA -0.261 57.671 58.000 -0.113 0.000 1.191 451 F CB 1.053 40.077 39.000 0.040 0.000 1.128 451 F HN 0.465 nan 8.300 nan 0.000 0.533 452 M N 2.956 122.503 119.600 -0.088 0.000 2.198 452 M HA 0.181 4.661 4.480 0.001 0.000 0.315 452 M C 0.241 176.497 176.300 -0.073 0.000 1.134 452 M CA -0.502 54.692 55.300 -0.176 0.000 1.171 452 M CB 0.717 33.062 32.600 -0.424 0.000 1.413 452 M HN 0.526 nan 8.290 nan 0.000 0.467 453 K N 0.699 121.068 120.400 -0.053 0.000 2.355 453 K HA 0.594 4.915 4.320 0.001 0.000 0.270 453 K C -0.020 176.580 176.600 -0.000 0.000 1.003 453 K CA -0.092 56.199 56.287 0.006 0.000 0.957 453 K CB 0.470 32.977 32.500 0.012 0.000 0.939 453 K HN 0.841 nan 8.250 nan 0.000 0.482 454 G N 1.490 110.327 108.800 0.062 0.000 2.347 454 G HA2 -0.097 3.863 3.960 0.001 0.000 0.477 454 G HA3 -0.097 3.863 3.960 0.001 0.000 0.477 454 G C -0.963 174.061 174.900 0.206 0.000 1.349 454 G CA -0.394 44.775 45.100 0.115 0.000 1.000 454 G HN 0.780 nan 8.290 nan 0.000 0.605 455 N N -0.149 118.732 118.700 0.303 0.000 2.279 455 N HA 0.205 4.945 4.740 0.001 0.000 0.226 455 N C 0.203 176.080 175.510 0.612 0.000 1.126 455 N CA 0.034 53.291 53.050 0.345 0.000 0.846 455 N CB 0.090 38.710 38.487 0.221 0.000 1.050 455 N HN 0.894 nan 8.380 nan 0.000 0.502 456 W N -0.730 120.806 121.300 0.394 0.000 2.883 456 W HA 0.785 5.445 4.660 0.001 0.000 0.335 456 W C -1.061 175.514 176.519 0.093 0.000 1.083 456 W CA -1.970 55.595 57.345 0.367 0.000 1.233 456 W CB 0.516 30.060 29.460 0.139 0.000 1.412 456 W HN -0.023 nan 8.180 nan 0.000 0.490 457 A N 4.525 127.231 122.820 -0.192 0.000 2.515 457 A HA 0.180 4.500 4.320 0.001 0.000 0.263 457 A C -0.644 176.610 177.584 -0.551 0.000 1.096 457 A CA 0.625 52.110 52.037 -0.920 0.000 0.769 457 A CB -0.464 17.969 19.000 -0.946 0.000 1.040 457 A HN 0.783 nan 8.150 nan 0.000 0.505 458 H N 1.670 120.331 119.070 -0.682 0.000 3.042 458 H HA 0.535 5.091 4.556 0.001 0.000 0.345 458 H C -0.796 174.310 175.328 -0.370 0.000 1.052 458 H CA 0.120 55.762 56.048 -0.676 0.000 1.311 458 H CB 1.552 30.425 29.762 -1.482 0.000 1.810 458 H HN 0.906 nan 8.280 nan 0.000 0.505 459 S N 3.242 118.769 115.700 -0.287 0.000 2.643 459 S HA 0.882 5.353 4.470 0.001 0.000 0.270 459 S C -0.448 174.002 174.600 -0.251 0.000 1.166 459 S CA -0.241 57.741 58.200 -0.364 0.000 0.815 459 S CB 2.360 65.356 63.200 -0.341 0.000 1.139 459 S HN 1.009 nan 8.310 nan 0.000 0.472 460 G N -0.305 108.360 108.800 -0.224 0.000 2.340 460 G HA2 0.637 4.597 3.960 0.001 0.000 0.299 460 G HA3 0.637 4.597 3.960 0.001 0.000 0.299 460 G C -1.863 173.032 174.900 -0.009 0.000 1.291 460 G CA -0.290 44.700 45.100 -0.184 0.000 0.841 460 G HN 1.663 nan 8.290 nan 0.000 0.500 461 F N -2.012 117.999 119.950 0.101 0.000 2.668 461 F HA 0.843 5.370 4.527 0.001 0.000 0.309 461 F C -2.791 173.188 175.800 0.298 0.000 1.117 461 F CA -2.620 55.476 58.000 0.160 0.000 0.951 461 F CB 1.262 40.179 39.000 -0.138 0.000 1.323 461 F HN 0.476 nan 8.300 nan 0.000 0.451 462 P HA 0.057 nan 4.420 nan 0.000 0.272 462 P C 0.240 177.663 177.300 0.205 0.000 1.230 462 P CA 0.061 63.080 63.100 -0.136 0.000 0.788 462 P CB 1.409 33.011 31.700 -0.164 0.000 0.949 463 E N 0.971 121.185 120.200 0.023 0.000 2.097 463 E HA -0.226 4.125 4.350 0.001 0.000 0.196 463 E C 1.650 178.523 176.600 0.454 0.000 1.000 463 E CA 1.058 57.637 56.400 0.297 0.000 0.804 463 E CB -0.264 29.493 29.700 0.095 0.000 0.740 463 E HN 0.258 nan 8.360 nan 0.000 0.454 464 I N 0.850 121.576 120.570 0.260 0.000 2.530 464 I HA -0.197 3.973 4.170 0.001 0.000 0.257 464 I C 1.895 178.181 176.117 0.281 0.000 1.179 464 I CA 1.428 62.867 61.300 0.232 0.000 1.440 464 I CB -0.196 37.862 38.000 0.097 0.000 1.087 464 I HN 0.179 nan 8.210 nan 0.000 0.440 465 A N -1.102 121.934 122.820 0.360 0.000 2.251 465 A HA -0.014 4.307 4.320 0.001 0.000 0.209 465 A C 1.972 179.741 177.584 0.309 0.000 1.187 465 A CA 0.051 52.275 52.037 0.311 0.000 0.823 465 A CB -1.067 18.172 19.000 0.399 0.000 0.846 465 A HN 0.476 nan 8.150 nan 0.000 0.486 466 F N 1.431 121.605 119.950 0.374 0.000 2.091 466 F HA -0.163 4.364 4.527 0.001 0.000 0.299 466 F C 2.217 178.059 175.800 0.070 0.000 1.103 466 F CA 1.794 59.965 58.000 0.285 0.000 1.228 466 F CB -0.627 38.469 39.000 0.161 0.000 0.984 466 F HN 0.247 nan 8.300 nan 0.000 0.477 467 G N 0.155 109.036 108.800 0.135 0.000 2.514 467 G HA2 -0.306 3.654 3.960 0.001 0.000 0.217 467 G HA3 -0.306 3.654 3.960 0.001 0.000 0.217 467 G C 1.817 176.609 174.900 -0.179 0.000 1.198 467 G CA 1.073 46.167 45.100 -0.011 0.000 0.780 467 G HN 0.352 nan 8.290 nan 0.000 0.565 468 R N -0.967 119.423 120.500 -0.184 0.000 2.083 468 R HA -0.088 4.253 4.340 0.001 0.000 0.237 468 R C 2.462 178.511 176.300 -0.418 0.000 1.137 468 R CA 1.598 57.520 56.100 -0.297 0.000 0.951 468 R CB -0.516 29.573 30.300 -0.353 0.000 0.851 468 R HN 0.480 nan 8.270 nan 0.000 0.434 469 Y N 0.604 120.624 120.300 -0.467 0.000 2.200 469 Y HA -0.197 4.354 4.550 0.001 0.000 0.290 469 Y C 2.907 178.500 175.900 -0.513 0.000 1.137 469 Y CA 1.617 59.363 58.100 -0.591 0.000 1.163 469 Y CB -0.435 37.344 38.460 -1.134 0.000 0.988 469 Y HN 0.147 nan 8.280 nan 0.000 0.518 470 S N -0.635 114.756 115.700 -0.516 0.000 2.383 470 S HA -0.192 4.278 4.470 0.001 0.000 0.227 470 S C 1.839 176.273 174.600 -0.275 0.000 1.026 470 S CA 1.336 59.218 58.200 -0.531 0.000 0.981 470 S CB -0.528 61.991 63.200 -1.135 0.000 0.818 470 S HN 0.433 nan 8.310 nan 0.000 0.472 471 D N 1.765 122.023 120.400 -0.236 0.000 2.092 471 D HA -0.126 4.514 4.640 0.001 0.000 0.193 471 D C 2.137 178.394 176.300 -0.072 0.000 0.994 471 D CA 1.692 55.626 54.000 -0.111 0.000 0.828 471 D CB -0.718 40.033 40.800 -0.082 0.000 0.963 471 D HN 0.410 nan 8.370 nan 0.000 0.450 472 S N -0.930 114.710 115.700 -0.100 0.000 2.359 472 S HA -0.170 4.301 4.470 0.001 0.000 0.223 472 S C 2.268 176.872 174.600 0.007 0.000 1.039 472 S CA 1.444 59.611 58.200 -0.055 0.000 1.042 472 S CB -0.594 62.555 63.200 -0.085 0.000 0.915 472 S HN 0.356 nan 8.310 nan 0.000 0.439 473 L N 0.884 122.101 121.223 -0.009 0.000 2.013 473 L HA -0.130 4.210 4.340 0.001 0.000 0.212 473 L C 2.535 179.507 176.870 0.171 0.000 1.073 473 L CA 1.477 56.362 54.840 0.075 0.000 0.753 473 L CB -0.820 41.216 42.059 -0.038 0.000 0.890 473 L HN 0.256 nan 8.230 nan 0.000 0.432 474 V N -0.558 119.398 119.914 0.070 0.000 2.255 474 V HA -0.308 3.813 4.120 0.001 0.000 0.247 474 V C 2.576 178.711 176.094 0.069 0.000 1.051 474 V CA 1.714 64.055 62.300 0.068 0.000 1.018 474 V CB -0.607 31.229 31.823 0.021 0.000 0.641 474 V HN 0.513 nan 8.190 nan 0.000 0.445 475 Q N 0.079 119.910 119.800 0.052 0.000 2.226 475 Q HA -0.181 4.160 4.340 0.001 0.000 0.204 475 Q C 2.083 178.111 176.000 0.047 0.000 0.975 475 Q CA 1.247 57.076 55.803 0.043 0.000 0.866 475 Q CB -0.433 28.323 28.738 0.029 0.000 0.915 475 Q HN 0.622 nan 8.270 nan 0.000 0.440 476 K N -0.553 119.899 120.400 0.087 0.000 2.525 476 K HA 0.066 4.386 4.320 0.001 0.000 0.192 476 K C 0.815 177.400 176.600 -0.026 0.000 1.029 476 K CA 0.553 56.893 56.287 0.088 0.000 1.029 476 K CB 0.230 32.870 32.500 0.233 0.000 0.814 476 K HN 0.373 nan 8.250 nan 0.000 0.503 477 G N 0.456 109.249 108.800 -0.012 0.000 2.159 477 G HA2 -0.251 3.710 3.960 0.001 0.000 0.227 477 G HA3 -0.251 3.710 3.960 0.001 0.000 0.227 477 G C -0.357 174.454 174.900 -0.149 0.000 0.986 477 G CA -0.438 44.605 45.100 -0.095 0.000 0.651 477 G HN 0.194 nan 8.290 nan 0.000 0.523 478 Y N 0.840 121.154 120.300 0.023 0.000 2.307 478 Y HA 0.561 5.112 4.550 0.001 0.000 0.324 478 Y C 1.121 177.036 175.900 0.026 0.000 1.238 478 Y CA -0.173 57.941 58.100 0.022 0.000 1.280 478 Y CB 0.865 39.334 38.460 0.014 0.000 1.248 478 Y HN -0.043 nan 8.280 nan 0.000 0.508 479 K N 2.173 122.689 120.400 0.192 0.000 2.240 479 K HA 0.520 4.840 4.320 0.001 0.000 0.271 479 K C -1.289 175.378 176.600 0.112 0.000 1.018 479 K CA -0.624 55.739 56.287 0.127 0.000 0.874 479 K CB 1.567 34.133 32.500 0.110 0.000 1.098 479 K HN 0.320 nan 8.250 nan 0.000 0.458 480 V N 2.073 122.041 119.914 0.090 0.000 2.483 480 V HA 0.501 4.621 4.120 0.001 0.000 0.295 480 V C -0.226 175.915 176.094 0.078 0.000 1.035 480 V CA -0.874 61.477 62.300 0.085 0.000 0.896 480 V CB 1.576 33.450 31.823 0.086 0.000 0.986 480 V HN 0.880 nan 8.190 nan 0.000 0.447 481 A N 4.670 127.535 122.820 0.074 0.000 2.303 481 A HA 0.740 5.061 4.320 0.001 0.000 0.320 481 A C -0.145 177.492 177.584 0.088 0.000 1.192 481 A CA -0.707 51.361 52.037 0.053 0.000 0.821 481 A CB 0.680 19.690 19.000 0.017 0.000 1.188 481 A HN 0.828 nan 8.150 nan 0.000 0.492 482 R N 2.936 123.468 120.500 0.053 0.000 2.215 482 R HA 0.512 4.852 4.340 0.001 0.000 0.337 482 R C -1.574 174.738 176.300 0.020 0.000 1.010 482 R CA -0.208 55.885 56.100 -0.012 0.000 0.871 482 R CB 0.687 30.865 30.300 -0.202 0.000 1.134 482 R HN 0.453 nan 8.270 nan 0.000 0.477 483 V N 5.337 125.309 119.914 0.097 0.000 2.350 483 V HA 0.253 4.373 4.120 0.001 0.000 0.276 483 V C -0.024 176.108 176.094 0.063 0.000 1.028 483 V CA -0.532 61.825 62.300 0.095 0.000 0.860 483 V CB 1.250 33.186 31.823 0.188 0.000 0.990 483 V HN 0.751 nan 8.190 nan 0.000 0.453 484 E N 3.216 123.428 120.200 0.019 0.000 2.232 484 E HA 0.443 4.793 4.350 0.001 0.000 0.265 484 E C -0.571 175.998 176.600 -0.052 0.000 1.001 484 E CA -0.738 55.655 56.400 -0.011 0.000 0.870 484 E CB 1.611 31.304 29.700 -0.011 0.000 1.175 484 E HN 0.601 nan 8.360 nan 0.000 0.407 485 Q N 0.425 120.187 119.800 -0.063 0.000 2.279 485 Q HA 0.200 4.541 4.340 0.001 0.000 0.256 485 Q C 0.380 176.351 176.000 -0.049 0.000 0.937 485 Q CA -0.052 55.716 55.803 -0.057 0.000 0.933 485 Q CB 0.729 29.444 28.738 -0.039 0.000 1.189 485 Q HN 0.534 nan 8.270 nan 0.000 0.417 486 T N -0.954 113.579 114.554 -0.036 0.000 3.176 486 T HA 0.292 4.642 4.350 0.001 0.000 0.263 486 T C 0.036 174.716 174.700 -0.032 0.000 1.021 486 T CA -0.244 61.835 62.100 -0.035 0.000 0.905 486 T CB 0.261 69.114 68.868 -0.025 0.000 1.057 486 T HN 0.485 nan 8.240 nan 0.000 0.558 487 E N 0.982 121.163 120.200 -0.030 0.000 2.413 487 E HA 0.482 4.832 4.350 0.001 0.000 0.277 487 E C -0.944 175.644 176.600 -0.021 0.000 0.958 487 E CA -0.969 55.417 56.400 -0.023 0.000 0.779 487 E CB 2.296 31.991 29.700 -0.009 0.000 1.278 487 E HN 0.379 nan 8.360 nan 0.000 0.456 488 T N -1.943 112.599 114.554 -0.019 0.000 2.945 488 T HA 0.362 4.712 4.350 0.001 0.000 0.286 488 T C -2.183 172.520 174.700 0.005 0.000 1.025 488 T CA -2.135 59.961 62.100 -0.006 0.000 1.039 488 T CB 1.623 70.480 68.868 -0.018 0.000 1.068 488 T HN 0.038 nan 8.240 nan 0.000 0.497 489 P HA -0.135 nan 4.420 nan 0.000 0.217 489 P C 1.132 178.434 177.300 0.005 0.000 1.151 489 P CA 1.233 64.341 63.100 0.013 0.000 0.849 489 P CB 0.081 31.792 31.700 0.018 0.000 0.787 490 E N -1.291 118.909 120.200 0.000 0.000 2.051 490 E HA -0.129 4.222 4.350 0.001 0.000 0.192 490 E C 2.044 178.640 176.600 -0.007 0.000 0.991 490 E CA 1.306 57.702 56.400 -0.006 0.000 0.799 490 E CB -0.824 28.871 29.700 -0.010 0.000 0.748 490 E HN 0.256 nan 8.360 nan 0.000 0.449 491 M N -0.216 119.379 119.600 -0.008 0.000 2.117 491 M HA -0.156 4.324 4.480 0.001 0.000 0.262 491 M C 2.442 178.740 176.300 -0.003 0.000 1.065 491 M CA 1.314 56.609 55.300 -0.009 0.000 1.114 491 M CB -0.308 32.284 32.600 -0.013 0.000 1.361 491 M HN 0.197 nan 8.290 nan 0.000 0.408 492 M N 0.619 120.220 119.600 0.001 0.000 2.086 492 M HA -0.235 4.246 4.480 0.001 0.000 0.261 492 M C 1.703 178.006 176.300 0.005 0.000 1.067 492 M CA 1.944 57.248 55.300 0.007 0.000 1.116 492 M CB -0.275 32.333 32.600 0.012 0.000 1.348 492 M HN 0.244 nan 8.290 nan 0.000 0.407 493 E N 0.057 120.258 120.200 0.001 0.000 2.160 493 E HA -0.177 4.174 4.350 0.001 0.000 0.195 493 E C 1.892 178.489 176.600 -0.005 0.000 0.991 493 E CA 1.249 57.648 56.400 -0.002 0.000 0.810 493 E CB -0.153 29.544 29.700 -0.005 0.000 0.742 493 E HN 0.663 nan 8.360 nan 0.000 0.466 494 A N 1.170 123.987 122.820 -0.005 0.000 1.968 494 A HA -0.123 4.198 4.320 0.001 0.000 0.217 494 A C 2.059 179.640 177.584 -0.005 0.000 1.169 494 A CA 0.967 52.999 52.037 -0.007 0.000 0.638 494 A CB -0.259 18.736 19.000 -0.009 0.000 0.812 494 A HN 0.041 nan 8.150 nan 0.000 0.446 495 R N -0.865 119.634 120.500 -0.001 0.000 2.115 495 R HA -0.112 4.228 4.340 0.001 0.000 0.230 495 R C 1.863 178.166 176.300 0.005 0.000 1.111 495 R CA 1.675 57.776 56.100 0.003 0.000 0.976 495 R CB -0.451 29.854 30.300 0.008 0.000 0.870 495 R HN 0.554 nan 8.270 nan 0.000 0.445 496 C N 0.129 119.431 119.300 0.004 0.000 2.464 496 C HA 0.136 4.597 4.460 0.001 0.000 0.278 496 C C 2.491 177.478 174.990 -0.006 0.000 1.375 496 C CA 0.008 59.028 59.018 0.003 0.000 1.761 496 C CB -0.731 27.011 27.740 0.004 0.000 1.944 496 C HN 0.432 nan 8.230 nan 0.000 0.509 497 R N 1.538 122.032 120.500 -0.009 0.000 2.120 497 R HA -0.063 4.277 4.340 0.001 0.000 0.234 497 R C 1.820 178.109 176.300 -0.018 0.000 1.123 497 R CA 1.107 57.198 56.100 -0.015 0.000 0.975 497 R CB -0.333 29.959 30.300 -0.014 0.000 0.866 497 R HN 0.606 nan 8.270 nan 0.000 0.446 498 K N -0.551 119.841 120.400 -0.012 0.000 2.426 498 K HA 0.137 4.457 4.320 0.001 0.000 0.193 498 K C 0.474 177.067 176.600 -0.012 0.000 1.028 498 K CA 0.079 56.359 56.287 -0.012 0.000 1.047 498 K CB 0.199 32.694 32.500 -0.007 0.000 0.821 498 K HN -0.033 nan 8.250 nan 0.000 0.513 499 M N 0.521 120.115 119.600 -0.010 0.000 2.228 499 M HA 0.094 4.575 4.480 0.001 0.000 0.351 499 M C 1.182 177.460 176.300 -0.038 0.000 1.233 499 M CA 0.094 55.391 55.300 -0.004 0.000 1.129 499 M CB 0.844 33.450 32.600 0.010 0.000 1.604 499 M HN 0.063 nan 8.290 nan 0.000 0.457 500 A N 3.581 126.378 122.820 -0.038 0.000 1.935 500 A HA 0.010 4.330 4.320 0.001 0.000 0.214 500 A C 0.588 177.957 177.584 -0.358 0.000 1.178 500 A CA 1.067 53.018 52.037 -0.143 0.000 0.640 500 A CB 0.099 19.066 19.000 -0.057 0.000 0.825 500 A HN 0.794 nan 8.150 nan 0.000 0.447 501 H N -1.008 118.065 119.070 0.005 0.000 2.840 501 H HA 0.410 4.966 4.556 0.001 0.000 0.340 501 H C -1.386 173.947 175.328 0.008 0.000 1.004 501 H CA -0.603 55.448 56.048 0.005 0.000 1.288 501 H CB 1.202 30.968 29.762 0.006 0.000 1.607 501 H HN 0.173 nan 8.280 nan 0.000 0.522 502 I N 3.228 123.855 120.570 0.094 0.000 2.304 502 I HA 0.076 4.247 4.170 0.001 0.000 0.291 502 I C 1.138 177.284 176.117 0.048 0.000 1.018 502 I CA -0.350 60.984 61.300 0.057 0.000 1.260 502 I CB 0.941 38.955 38.000 0.023 0.000 1.390 502 I HN 0.475 nan 8.210 nan 0.000 0.475 503 S N 5.724 121.454 115.700 0.050 0.000 2.652 503 S HA 0.230 4.700 4.470 0.001 0.000 0.267 503 S C 1.111 175.669 174.600 -0.070 0.000 1.201 503 S CA -0.594 57.610 58.200 0.008 0.000 0.996 503 S CB 0.987 64.237 63.200 0.084 0.000 1.054 503 S HN 0.780 nan 8.310 nan 0.000 0.561 504 K N -0.503 119.753 120.400 -0.239 0.000 2.167 504 K HA -0.056 4.264 4.320 0.001 0.000 0.203 504 K C 1.379 177.839 176.600 -0.234 0.000 1.052 504 K CA 1.138 57.245 56.287 -0.300 0.000 0.956 504 K CB -0.708 31.530 32.500 -0.436 0.000 0.735 504 K HN 0.657 nan 8.250 nan 0.000 0.451 505 Y N 2.198 122.511 120.300 0.021 0.000 2.574 505 Y HA -0.038 4.513 4.550 0.001 0.000 0.294 505 Y C 0.982 176.901 175.900 0.033 0.000 1.142 505 Y CA 0.586 58.705 58.100 0.031 0.000 1.314 505 Y CB -0.250 38.229 38.460 0.033 0.000 0.991 505 Y HN 0.148 nan 8.280 nan 0.000 0.555 506 D N -0.653 119.825 120.400 0.129 0.000 2.349 506 D HA 0.004 4.645 4.640 0.001 0.000 0.215 506 D C 1.651 177.984 176.300 0.056 0.000 1.016 506 D CA 0.349 54.402 54.000 0.089 0.000 0.870 506 D CB 0.074 40.915 40.800 0.069 0.000 0.917 506 D HN 0.179 nan 8.370 nan 0.000 0.524 507 R N 0.644 121.170 120.500 0.043 0.000 2.317 507 R HA 0.111 4.452 4.340 0.001 0.000 0.208 507 R C 0.478 176.801 176.300 0.038 0.000 0.914 507 R CA 0.021 56.137 56.100 0.027 0.000 1.060 507 R CB 0.010 30.312 30.300 0.005 0.000 1.015 507 R HN 0.143 nan 8.270 nan 0.000 0.498 508 V N -1.542 118.408 119.914 0.060 0.000 2.667 508 V HA 0.516 4.636 4.120 0.001 0.000 0.308 508 V C 0.738 176.865 176.094 0.056 0.000 1.048 508 V CA -1.567 60.772 62.300 0.065 0.000 0.928 508 V CB 1.823 33.704 31.823 0.097 0.000 1.004 508 V HN -0.083 nan 8.190 nan 0.000 0.444 509 V N 1.234 121.172 119.914 0.040 0.000 2.843 509 V HA 0.396 4.516 4.120 0.001 0.000 0.305 509 V C 0.684 176.795 176.094 0.027 0.000 1.065 509 V CA -0.584 61.731 62.300 0.025 0.000 1.116 509 V CB 0.337 32.167 31.823 0.012 0.000 0.968 509 V HN 1.188 nan 8.190 nan 0.000 0.487 510 R N 3.413 123.926 120.500 0.022 0.000 2.570 510 R HA 0.321 4.661 4.340 0.001 0.000 0.277 510 R C -0.197 176.108 176.300 0.007 0.000 1.039 510 R CA -0.070 56.044 56.100 0.024 0.000 1.065 510 R CB 0.342 30.652 30.300 0.016 0.000 0.964 510 R HN 0.899 nan 8.270 nan 0.000 0.428 511 R N 2.747 123.261 120.500 0.023 0.000 2.628 511 R HA 0.290 4.630 4.340 0.001 0.000 0.288 511 R C -1.103 175.222 176.300 0.040 0.000 0.980 511 R CA -0.790 55.314 56.100 0.006 0.000 0.891 511 R CB 2.190 32.474 30.300 -0.028 0.000 1.188 511 R HN 0.791 nan 8.270 nan 0.000 0.450 512 E N 2.513 122.727 120.200 0.023 0.000 2.407 512 E HA 0.306 4.657 4.350 0.001 0.000 0.279 512 E C -0.860 175.747 176.600 0.013 0.000 1.012 512 E CA -0.912 55.500 56.400 0.021 0.000 0.800 512 E CB 1.336 31.033 29.700 -0.005 0.000 1.276 512 E HN 0.325 nan 8.360 nan 0.000 0.452 513 I N 1.480 122.051 120.570 0.002 0.000 2.598 513 I HA -0.040 4.131 4.170 0.001 0.000 0.284 513 I C 0.362 176.459 176.117 -0.033 0.000 1.140 513 I CA -0.216 61.078 61.300 -0.010 0.000 1.420 513 I CB 0.247 38.230 38.000 -0.029 0.000 1.387 513 I HN 0.696 nan 8.210 nan 0.000 0.553 514 C N 4.729 124.021 119.300 -0.013 0.000 2.935 514 C HA 0.286 4.747 4.460 0.001 0.000 0.308 514 C C 0.865 175.886 174.990 0.052 0.000 1.263 514 C CA -0.099 58.928 59.018 0.015 0.000 1.738 514 C CB -0.442 27.312 27.740 0.023 0.000 2.237 514 C HN 0.803 nan 8.230 nan 0.000 0.600 515 R N 0.203 120.707 120.500 0.006 0.000 2.604 515 R HA 0.567 4.907 4.340 0.001 0.000 0.261 515 R C -2.147 174.149 176.300 -0.007 0.000 1.080 515 R CA -0.253 55.851 56.100 0.007 0.000 0.917 515 R CB 0.396 30.698 30.300 0.004 0.000 1.252 515 R HN 0.192 nan 8.270 nan 0.000 0.456 516 I N 5.737 126.289 120.570 -0.030 0.000 2.389 516 I HA 0.464 4.634 4.170 0.001 0.000 0.288 516 I C -0.235 175.872 176.117 -0.018 0.000 0.999 516 I CA -0.757 60.523 61.300 -0.034 0.000 1.129 516 I CB 1.552 39.491 38.000 -0.101 0.000 1.288 516 I HN 0.463 nan 8.210 nan 0.000 0.444 517 I N 5.295 125.881 120.570 0.026 0.000 2.392 517 I HA 0.546 4.717 4.170 0.001 0.000 0.295 517 I C -0.228 175.915 176.117 0.044 0.000 0.985 517 I CA -0.300 61.016 61.300 0.028 0.000 1.221 517 I CB 1.825 39.852 38.000 0.045 0.000 1.366 517 I HN 0.454 nan 8.210 nan 0.000 0.467 518 T N 3.633 118.214 114.554 0.046 0.000 2.923 518 T HA 0.173 4.524 4.350 0.001 0.000 0.311 518 T C 0.616 175.349 174.700 0.055 0.000 1.183 518 T CA -0.789 61.360 62.100 0.082 0.000 1.020 518 T CB 2.571 71.537 68.868 0.164 0.000 1.165 518 T HN 0.629 nan 8.240 nan 0.000 0.482 519 K N 1.544 121.977 120.400 0.055 0.000 2.163 519 K HA -0.186 4.134 4.320 0.001 0.000 0.210 519 K C 1.780 178.404 176.600 0.039 0.000 1.048 519 K CA 2.128 58.440 56.287 0.042 0.000 0.928 519 K CB -0.365 32.163 32.500 0.046 0.000 0.716 519 K HN 0.725 nan 8.250 nan 0.000 0.459 520 G N -0.982 107.855 108.800 0.062 0.000 3.189 520 G HA2 -0.020 3.941 3.960 0.001 0.000 0.225 520 G HA3 -0.020 3.941 3.960 0.001 0.000 0.225 520 G C 0.455 175.393 174.900 0.063 0.000 1.159 520 G CA 0.516 45.654 45.100 0.064 0.000 0.763 520 G HN 0.407 nan 8.290 nan 0.000 0.549 521 T N -2.275 112.307 114.554 0.047 0.000 3.442 521 T HA 0.360 4.710 4.350 0.001 0.000 0.295 521 T C 0.113 174.769 174.700 -0.073 0.000 1.007 521 T CA -0.469 61.647 62.100 0.025 0.000 0.962 521 T CB 0.148 69.069 68.868 0.088 0.000 1.187 521 T HN 0.197 nan 8.240 nan 0.000 0.490 522 Q N 1.541 121.240 119.800 -0.168 0.000 2.286 522 Q HA 0.408 4.748 4.340 0.001 0.000 0.257 522 Q C 0.833 176.543 176.000 -0.484 0.000 0.941 522 Q CA -0.154 55.412 55.803 -0.394 0.000 0.912 522 Q CB 1.308 29.667 28.738 -0.632 0.000 1.192 522 Q HN 0.550 nan 8.270 nan 0.000 0.410 523 T N -2.404 111.896 114.554 -0.423 0.000 3.040 523 T HA 0.067 4.417 4.350 0.001 0.000 0.266 523 T C -0.167 174.459 174.700 -0.122 0.000 1.005 523 T CA -0.361 61.603 62.100 -0.225 0.000 0.906 523 T CB 0.025 68.843 68.868 -0.083 0.000 1.082 523 T HN 0.627 nan 8.240 nan 0.000 0.531 524 Y N 2.481 122.782 120.300 0.002 0.000 3.389 524 Y HA -0.251 4.299 4.550 0.001 0.000 0.213 524 Y C 1.200 177.097 175.900 -0.005 0.000 1.272 524 Y CA -0.117 57.982 58.100 -0.003 0.000 1.444 524 Y CB -3.012 35.440 38.460 -0.013 0.000 1.445 524 Y HN 0.648 nan 8.280 nan 0.000 0.583 525 S N -1.876 113.862 115.700 0.063 0.000 2.632 525 S HA 0.271 4.742 4.470 0.001 0.000 0.254 525 S C 1.288 175.909 174.600 0.036 0.000 1.291 525 S CA -0.194 58.022 58.200 0.027 0.000 0.974 525 S CB 0.985 64.171 63.200 -0.023 0.000 1.016 525 S HN 0.371 nan 8.310 nan 0.000 0.579 526 V N 0.140 120.049 119.914 -0.009 0.000 2.809 526 V HA 0.070 4.191 4.120 0.001 0.000 0.256 526 V C 1.643 177.745 176.094 0.012 0.000 1.080 526 V CA 1.389 63.696 62.300 0.011 0.000 1.102 526 V CB -0.894 30.929 31.823 -0.001 0.000 0.705 526 V HN 0.712 nan 8.190 nan 0.000 0.475 527 L N -0.811 120.384 121.223 -0.046 0.000 2.554 527 L HA 0.284 4.624 4.340 0.001 0.000 0.225 527 L C 0.961 177.962 176.870 0.218 0.000 1.104 527 L CA 0.151 55.013 54.840 0.036 0.000 0.866 527 L CB -0.089 41.911 42.059 -0.098 0.000 1.047 527 L HN 0.318 nan 8.230 nan 0.000 0.468 528 E N -0.031 120.257 120.200 0.147 0.000 2.267 528 E HA 0.435 4.785 4.350 0.001 0.000 0.258 528 E C 0.256 176.931 176.600 0.126 0.000 1.074 528 E CA -0.486 55.998 56.400 0.139 0.000 0.915 528 E CB 0.923 30.676 29.700 0.089 0.000 1.186 528 E HN 0.071 nan 8.360 nan 0.000 0.439 529 G N 0.040 108.911 108.800 0.118 0.000 2.516 529 G HA2 0.108 4.069 3.960 0.001 0.000 0.276 529 G HA3 0.108 4.069 3.960 0.001 0.000 0.276 529 G C -0.552 174.460 174.900 0.186 0.000 1.390 529 G CA -0.355 44.812 45.100 0.111 0.000 1.050 529 G HN 0.386 nan 8.290 nan 0.000 0.519 530 D N -0.079 120.349 120.400 0.047 0.000 2.268 530 D HA 0.446 5.087 4.640 0.001 0.000 0.249 530 D C -2.194 173.885 176.300 -0.369 0.000 1.008 530 D CA -1.069 52.853 54.000 -0.129 0.000 0.939 530 D CB 0.949 41.676 40.800 -0.122 0.000 1.170 530 D HN 0.010 nan 8.370 nan 0.000 0.468 531 P HA 0.054 nan 4.420 nan 0.000 0.267 531 P C 0.338 177.455 177.300 -0.306 0.000 1.201 531 P CA 0.062 62.648 63.100 -0.856 0.000 0.775 531 P CB 0.609 31.826 31.700 -0.805 0.000 0.854 532 S N -0.182 115.425 115.700 -0.154 0.000 2.388 532 S HA -0.007 4.463 4.470 0.001 0.000 0.223 532 S C 0.471 175.025 174.600 -0.077 0.000 1.034 532 S CA 0.822 58.978 58.200 -0.073 0.000 0.963 532 S CB -0.204 62.991 63.200 -0.008 0.000 0.827 532 S HN 0.579 nan 8.310 nan 0.000 0.481 533 E N 0.340 120.497 120.200 -0.073 0.000 2.404 533 E HA 0.401 4.752 4.350 0.001 0.000 0.264 533 E C -0.355 176.161 176.600 -0.141 0.000 0.946 533 E CA -0.635 55.726 56.400 -0.065 0.000 0.806 533 E CB 0.756 30.485 29.700 0.049 0.000 1.334 533 E HN 0.064 nan 8.360 nan 0.000 0.429 534 N N -0.872 117.680 118.700 -0.246 0.000 2.405 534 N HA 0.020 4.761 4.740 0.001 0.000 0.175 534 N C -0.473 174.849 175.510 -0.313 0.000 1.051 534 N CA 0.190 53.032 53.050 -0.345 0.000 0.899 534 N CB 0.193 38.368 38.487 -0.521 0.000 1.000 534 N HN 0.271 nan 8.380 nan 0.000 0.451 535 Y N 1.636 121.930 120.300 -0.010 0.000 2.346 535 Y HA 0.160 4.711 4.550 0.001 0.000 0.330 535 Y C 0.877 176.775 175.900 -0.003 0.000 1.178 535 Y CA -0.718 57.396 58.100 0.024 0.000 1.331 535 Y CB 0.586 39.096 38.460 0.084 0.000 1.253 535 Y HN -0.168 nan 8.280 nan 0.000 0.529 536 S N 3.168 118.949 115.700 0.135 0.000 2.562 536 S HA 0.240 4.710 4.470 0.001 0.000 0.281 536 S C -0.328 174.154 174.600 -0.197 0.000 1.333 536 S CA -0.667 57.468 58.200 -0.108 0.000 1.052 536 S CB 0.205 63.257 63.200 -0.246 0.000 0.884 536 S HN 0.421 nan 8.310 nan 0.000 0.506 537 K N 1.765 121.986 120.400 -0.298 0.000 2.345 537 K HA 0.455 4.775 4.320 0.001 0.000 0.255 537 K C -1.467 174.946 176.600 -0.311 0.000 0.934 537 K CA -0.462 55.727 56.287 -0.162 0.000 0.801 537 K CB 1.402 33.894 32.500 -0.013 0.000 1.137 537 K HN 0.485 nan 8.250 nan 0.000 0.424 538 Y N 1.131 121.484 120.300 0.089 0.000 2.496 538 Y HA 0.450 5.000 4.550 0.001 0.000 0.331 538 Y C -0.290 175.656 175.900 0.077 0.000 1.140 538 Y CA -1.201 56.958 58.100 0.098 0.000 1.166 538 Y CB 1.104 39.631 38.460 0.112 0.000 1.249 538 Y HN 0.362 nan 8.280 nan 0.000 0.479 539 L N 3.495 124.879 121.223 0.267 0.000 2.296 539 L HA 0.604 4.944 4.340 0.001 0.000 0.286 539 L C -1.619 175.394 176.870 0.238 0.000 1.023 539 L CA -0.692 54.258 54.840 0.183 0.000 0.812 539 L CB 1.010 43.153 42.059 0.140 0.000 1.223 539 L HN 0.581 nan 8.230 nan 0.000 0.421 540 L N 4.327 125.659 121.223 0.183 0.000 2.333 540 L HA 0.647 4.987 4.340 0.001 0.000 0.280 540 L C -0.523 176.472 176.870 0.209 0.000 1.004 540 L CA 0.223 55.188 54.840 0.207 0.000 0.820 540 L CB 1.897 44.027 42.059 0.118 0.000 1.247 540 L HN 0.668 nan 8.230 nan 0.000 0.416 541 S N 4.654 120.505 115.700 0.251 0.000 2.451 541 S HA 0.772 5.242 4.470 0.001 0.000 0.301 541 S C -1.069 173.732 174.600 0.334 0.000 1.116 541 S CA -0.503 57.861 58.200 0.275 0.000 1.093 541 S CB 0.783 64.095 63.200 0.185 0.000 1.017 541 S HN 0.631 nan 8.310 nan 0.000 0.482 542 L N 4.574 126.034 121.223 0.395 0.000 2.385 542 L HA 0.774 5.115 4.340 0.001 0.000 0.273 542 L C -1.028 175.984 176.870 0.237 0.000 0.990 542 L CA -0.319 54.688 54.840 0.278 0.000 0.821 542 L CB 1.766 43.919 42.059 0.156 0.000 1.279 542 L HN 0.639 nan 8.230 nan 0.000 0.412 543 K N 3.266 123.781 120.400 0.192 0.000 2.507 543 K HA 0.556 4.877 4.320 0.001 0.000 0.252 543 K C -1.060 175.546 176.600 0.010 0.000 0.943 543 K CA -0.310 56.026 56.287 0.081 0.000 0.808 543 K CB 1.404 34.036 32.500 0.220 0.000 1.142 543 K HN 0.667 nan 8.250 nan 0.000 0.426 544 E N 2.309 122.452 120.200 -0.096 0.000 2.254 544 E HA 0.438 4.788 4.350 0.001 0.000 0.258 544 E C -1.105 175.385 176.600 -0.183 0.000 1.033 544 E CA -1.026 55.237 56.400 -0.227 0.000 0.893 544 E CB 1.848 31.374 29.700 -0.290 0.000 1.204 544 E HN 0.450 nan 8.360 nan 0.000 0.425 545 K N 1.437 121.698 120.400 -0.232 0.000 2.606 545 K HA 0.172 4.493 4.320 0.001 0.000 0.259 545 K C -1.739 174.754 176.600 -0.179 0.000 1.001 545 K CA -0.235 55.958 56.287 -0.157 0.000 0.881 545 K CB 1.179 33.614 32.500 -0.109 0.000 1.288 545 K HN 0.346 nan 8.250 nan 0.000 0.452 546 E N 3.307 123.424 120.200 -0.137 0.000 2.175 546 E HA 0.276 4.627 4.350 0.001 0.000 0.278 546 E C -0.638 175.917 176.600 -0.075 0.000 0.969 546 E CA -0.554 55.775 56.400 -0.119 0.000 0.796 546 E CB 1.920 31.557 29.700 -0.106 0.000 1.104 546 E HN 0.549 nan 8.360 nan 0.000 0.395 547 E N 1.594 121.759 120.200 -0.058 0.000 2.417 547 E HA 0.358 4.709 4.350 0.001 0.000 0.200 547 E C -1.009 175.582 176.600 -0.016 0.000 0.791 547 E CA -0.855 55.526 56.400 -0.031 0.000 0.911 547 E CB 0.991 30.677 29.700 -0.022 0.000 1.936 547 E HN 0.206 nan 8.360 nan 0.000 0.395 548 D N 1.088 121.488 120.400 -0.001 0.000 2.330 548 D HA 0.159 4.800 4.640 0.001 0.000 0.249 548 D C -1.398 174.917 176.300 0.025 0.000 1.306 548 D CA 0.063 54.067 54.000 0.007 0.000 0.956 548 D CB 1.155 41.955 40.800 0.001 0.000 1.261 548 D HN 0.608 nan 8.370 nan 0.000 0.544 549 S N 0.617 116.345 115.700 0.045 0.000 3.681 549 S HA -0.182 4.289 4.470 0.001 0.000 0.473 549 S C 0.378 175.045 174.600 0.112 0.000 0.830 549 S CA 0.451 58.701 58.200 0.083 0.000 1.355 549 S CB -2.317 60.915 63.200 0.052 0.000 0.892 549 S HN 0.483 nan 8.310 nan 0.000 0.649 553 T N 1.560 116.168 114.554 0.089 0.000 2.732 553 T HA -0.053 4.297 4.350 0.001 0.000 0.261 553 T C 1.335 176.034 174.700 -0.002 0.000 1.040 553 T CA 1.140 63.257 62.100 0.029 0.000 1.145 553 T CB 0.370 69.237 68.868 -0.002 0.000 0.866 553 T HN 0.527 nan 8.240 nan 0.000 0.427 554 R N 0.580 121.065 120.500 -0.026 0.000 2.843 554 R HA 0.815 5.155 4.340 0.001 0.000 0.232 554 R C -1.408 174.804 176.300 -0.146 0.000 1.305 554 R CA -0.987 55.026 56.100 -0.145 0.000 1.096 554 R CB 1.315 31.442 30.300 -0.288 0.000 1.455 554 R HN 0.143 nan 8.270 nan 0.000 0.520 555 A N 0.411 123.046 122.820 -0.309 0.000 2.488 555 A HA 0.551 4.872 4.320 0.001 0.000 0.295 555 A C -1.933 175.374 177.584 -0.460 0.000 1.045 555 A CA -0.714 51.160 52.037 -0.271 0.000 0.703 555 A CB 1.088 19.999 19.000 -0.148 0.000 1.271 555 A HN 0.603 nan 8.150 nan 0.000 0.400 556 Y N 0.421 120.471 120.300 -0.417 0.000 2.496 556 Y HA 0.666 5.217 4.550 0.001 0.000 0.331 556 Y C 0.996 176.627 175.900 -0.447 0.000 1.140 556 Y CA -0.168 57.645 58.100 -0.477 0.000 1.166 556 Y CB 2.470 40.549 38.460 -0.636 0.000 1.249 556 Y HN 0.865 nan 8.280 nan 0.000 0.479 557 G N 1.080 109.872 108.800 -0.012 0.000 2.644 557 G HA2 0.555 4.515 3.960 0.001 0.000 0.300 557 G HA3 0.555 4.515 3.960 0.001 0.000 0.300 557 G C -1.552 173.446 174.900 0.164 0.000 1.395 557 G CA -0.739 44.400 45.100 0.064 0.000 0.964 557 G HN 0.627 nan 8.290 nan 0.000 0.511 558 V N -0.677 119.375 119.914 0.231 0.000 2.769 558 V HA 0.866 4.986 4.120 0.001 0.000 0.312 558 V C -0.389 175.897 176.094 0.319 0.000 1.061 558 V CA -1.393 61.092 62.300 0.309 0.000 0.931 558 V CB 1.349 33.401 31.823 0.381 0.000 1.010 558 V HN 1.010 nan 8.190 nan 0.000 0.433 559 C N 6.827 126.327 119.300 0.334 0.000 2.620 559 C HA 0.864 5.325 4.460 0.001 0.000 0.356 559 C C -0.916 174.282 174.990 0.347 0.000 1.082 559 C CA -0.642 58.547 59.018 0.284 0.000 1.293 559 C CB -0.364 27.527 27.740 0.252 0.000 1.836 559 C HN 1.151 nan 8.230 nan 0.000 0.453 560 F N 4.458 124.506 119.950 0.163 0.000 2.588 560 F HA 0.934 5.462 4.527 0.001 0.000 0.314 560 F C -0.953 174.959 175.800 0.187 0.000 1.069 560 F CA -1.335 56.732 58.000 0.112 0.000 0.931 560 F CB 1.373 40.323 39.000 -0.083 0.000 1.260 560 F HN 0.460 nan 8.300 nan 0.000 0.465 561 V N 0.889 121.011 119.914 0.347 0.000 3.077 561 V HA 0.375 4.496 4.120 0.001 0.000 0.299 561 V C -1.962 174.220 176.094 0.147 0.000 1.276 561 V CA -0.513 61.853 62.300 0.109 0.000 0.993 561 V CB 2.113 33.589 31.823 -0.578 0.000 1.076 561 V HN 0.986 nan 8.190 nan 0.000 0.434 562 D N 3.025 123.435 120.400 0.016 0.000 2.396 562 D HA 0.284 4.925 4.640 0.001 0.000 0.225 562 D C 1.349 177.571 176.300 -0.129 0.000 1.121 562 D CA 0.513 54.422 54.000 -0.151 0.000 0.853 562 D CB 1.850 42.507 40.800 -0.238 0.000 1.043 562 D HN 0.811 nan 8.370 nan 0.000 0.500 563 T N -0.028 114.462 114.554 -0.107 0.000 3.025 563 T HA -0.173 4.178 4.350 0.001 0.000 0.270 563 T C 1.608 176.272 174.700 -0.060 0.000 1.126 563 T CA 1.216 63.255 62.100 -0.102 0.000 1.105 563 T CB -0.216 68.612 68.868 -0.067 0.000 0.884 563 T HN 0.275 nan 8.240 nan 0.000 0.522 564 S N 0.274 115.966 115.700 -0.013 0.000 2.501 564 S HA 0.260 4.731 4.470 0.001 0.000 0.220 564 S C 1.712 176.340 174.600 0.047 0.000 0.997 564 S CA -0.140 58.107 58.200 0.078 0.000 0.919 564 S CB -0.403 62.946 63.200 0.249 0.000 0.778 564 S HN 0.546 nan 8.310 nan 0.000 0.523 565 L N -0.011 121.209 121.223 -0.005 0.000 2.433 565 L HA 0.444 4.785 4.340 0.001 0.000 0.200 565 L C 1.924 178.757 176.870 -0.060 0.000 1.059 565 L CA 0.498 55.333 54.840 -0.008 0.000 0.835 565 L CB -0.421 41.649 42.059 0.018 0.000 1.076 565 L HN 0.497 nan 8.230 nan 0.000 0.481 566 G N 1.167 109.880 108.800 -0.145 0.000 2.141 566 G HA2 -0.293 3.668 3.960 0.001 0.000 0.231 566 G HA3 -0.293 3.668 3.960 0.001 0.000 0.231 566 G C 0.205 174.904 174.900 -0.336 0.000 0.984 566 G CA 0.159 45.112 45.100 -0.246 0.000 0.660 566 G HN 0.261 nan 8.290 nan 0.000 0.525 567 K N 0.565 120.799 120.400 -0.277 0.000 2.264 567 K HA 0.600 4.921 4.320 0.001 0.000 0.277 567 K C -0.409 175.960 176.600 -0.385 0.000 1.067 567 K CA -0.834 55.291 56.287 -0.271 0.000 0.900 567 K CB 0.025 32.439 32.500 -0.143 0.000 1.124 567 K HN -0.009 nan 8.250 nan 0.000 0.469 568 F N 4.596 124.246 119.950 -0.499 0.000 2.420 568 F HA 0.283 4.810 4.527 0.001 0.000 0.352 568 F C -0.140 175.381 175.800 -0.465 0.000 1.108 568 F CA -0.305 57.417 58.000 -0.463 0.000 1.162 568 F CB 0.521 39.018 39.000 -0.839 0.000 1.118 568 F HN 0.357 nan 8.300 nan 0.000 0.510 569 F N 5.076 124.798 119.950 -0.380 0.000 2.388 569 F HA 0.498 5.025 4.527 0.001 0.000 0.358 569 F C 0.036 175.621 175.800 -0.358 0.000 1.122 569 F CA -0.655 57.015 58.000 -0.550 0.000 1.056 569 F CB 1.153 39.284 39.000 -1.448 0.000 1.155 569 F HN 0.303 nan 8.300 nan 0.000 0.461 570 I N 2.715 123.353 120.570 0.113 0.000 2.569 570 I HA 0.906 5.076 4.170 0.001 0.000 0.296 570 I C -0.435 175.837 176.117 0.258 0.000 1.028 570 I CA -0.164 61.257 61.300 0.201 0.000 1.082 570 I CB 1.751 39.896 38.000 0.242 0.000 1.264 570 I HN 0.655 nan 8.210 nan 0.000 0.429 571 G N 5.387 114.376 108.800 0.315 0.000 2.601 571 G HA2 0.382 4.343 3.960 0.001 0.000 0.291 571 G HA3 0.382 4.343 3.960 0.001 0.000 0.291 571 G C -2.308 172.804 174.900 0.353 0.000 1.456 571 G CA -0.534 44.788 45.100 0.370 0.000 0.804 571 G HN 0.648 nan 8.290 nan 0.000 0.499 572 Q N -0.487 119.503 119.800 0.317 0.000 2.305 572 Q HA 0.738 5.078 4.340 0.001 0.000 0.271 572 Q C -1.656 174.511 176.000 0.278 0.000 1.046 572 Q CA -0.967 54.950 55.803 0.190 0.000 0.798 572 Q CB 1.975 30.776 28.738 0.105 0.000 1.286 572 Q HN 0.864 nan 8.270 nan 0.000 0.435 573 F N -0.219 119.833 119.950 0.170 0.000 2.654 573 F HA 0.674 5.201 4.527 0.001 0.000 0.308 573 F C -0.880 175.000 175.800 0.132 0.000 1.108 573 F CA -1.032 57.049 58.000 0.134 0.000 0.957 573 F CB 0.890 39.991 39.000 0.168 0.000 1.309 573 F HN 0.404 nan 8.300 nan 0.000 0.446 574 S N 0.603 116.454 115.700 0.252 0.000 2.632 574 S HA 0.677 5.147 4.470 0.001 0.000 0.271 574 S C -1.203 173.657 174.600 0.434 0.000 1.260 574 S CA -0.325 57.973 58.200 0.164 0.000 1.010 574 S CB 1.861 65.006 63.200 -0.092 0.000 0.965 574 S HN 0.850 nan 8.310 nan 0.000 0.534 575 D N -0.889 119.735 120.400 0.374 0.000 2.579 575 D HA 0.367 5.008 4.640 0.001 0.000 0.257 575 D C -1.016 175.477 176.300 0.323 0.000 1.176 575 D CA -0.549 53.721 54.000 0.449 0.000 0.914 575 D CB 1.980 43.139 40.800 0.600 0.000 1.431 575 D HN 0.556 nan 8.370 nan 0.000 0.454 576 D N -0.347 120.237 120.400 0.306 0.000 2.414 576 D HA 0.119 4.759 4.640 0.001 0.000 0.251 576 D C 1.304 177.696 176.300 0.153 0.000 1.252 576 D CA -0.143 53.993 54.000 0.226 0.000 0.999 576 D CB 0.908 41.886 40.800 0.295 0.000 1.093 576 D HN 0.440 nan 8.370 nan 0.000 0.515 577 R N -0.105 120.427 120.500 0.052 0.000 2.240 577 R HA -0.010 4.331 4.340 0.001 0.000 0.203 577 R C 1.122 177.369 176.300 -0.088 0.000 1.011 577 R CA 0.895 56.961 56.100 -0.056 0.000 1.007 577 R CB -0.119 30.088 30.300 -0.155 0.000 0.911 577 R HN 0.426 nan 8.270 nan 0.000 0.468 578 H N 0.354 119.503 119.070 0.132 0.000 2.539 578 H HA 0.193 4.750 4.556 0.001 0.000 0.269 578 H C 0.323 175.748 175.328 0.161 0.000 0.980 578 H CA 0.326 56.448 56.048 0.124 0.000 1.152 578 H CB 0.110 29.922 29.762 0.084 0.000 1.407 578 H HN 0.249 nan 8.280 nan 0.000 0.564 579 C N 1.744 121.223 119.300 0.300 0.000 4.365 579 C HA -0.187 4.273 4.460 0.001 0.000 0.299 579 C C 2.474 177.643 174.990 0.297 0.000 1.409 579 C CA 0.653 59.890 59.018 0.365 0.000 2.007 579 C CB -3.024 24.959 27.740 0.404 0.000 1.264 579 C HN 0.705 nan 8.230 nan 0.000 0.777 580 S N 0.214 116.051 115.700 0.229 0.000 2.399 580 S HA -0.161 4.309 4.470 0.001 0.000 0.231 580 S C 1.665 176.289 174.600 0.039 0.000 1.022 580 S CA 1.447 59.709 58.200 0.103 0.000 0.983 580 S CB -0.169 63.061 63.200 0.050 0.000 0.803 580 S HN 0.822 nan 8.310 nan 0.000 0.480 581 R N -0.306 120.261 120.500 0.112 0.000 2.115 581 R HA 0.137 4.478 4.340 0.001 0.000 0.226 581 R C 2.070 178.405 176.300 0.058 0.000 1.100 581 R CA 1.260 57.373 56.100 0.021 0.000 0.980 581 R CB -0.399 29.922 30.300 0.034 0.000 0.875 581 R HN 0.529 nan 8.270 nan 0.000 0.445 582 F N 1.547 121.539 119.950 0.070 0.000 2.206 582 F HA -0.051 4.476 4.527 0.001 0.000 0.298 582 F C 1.969 177.694 175.800 -0.126 0.000 1.090 582 F CA 1.228 59.174 58.000 -0.091 0.000 1.323 582 F CB 0.043 38.782 39.000 -0.436 0.000 1.028 582 F HN -0.224 nan 8.300 nan 0.000 0.492 583 R N -0.393 119.973 120.500 -0.223 0.000 2.075 583 R HA -0.102 4.238 4.340 0.001 0.000 0.232 583 R C 2.131 178.257 176.300 -0.290 0.000 1.126 583 R CA 1.973 57.896 56.100 -0.295 0.000 0.963 583 R CB -0.906 29.338 30.300 -0.094 0.000 0.858 583 R HN 0.238 nan 8.270 nan 0.000 0.435 584 T N 1.943 116.356 114.554 -0.235 0.000 2.684 584 T HA -0.162 4.188 4.350 0.001 0.000 0.267 584 T C 1.800 176.293 174.700 -0.346 0.000 1.036 584 T CA 1.253 63.186 62.100 -0.279 0.000 1.148 584 T CB -0.275 68.390 68.868 -0.338 0.000 0.863 584 T HN 0.197 nan 8.240 nan 0.000 0.436 585 L N 1.101 122.116 121.223 -0.347 0.000 1.990 585 L HA -0.139 4.201 4.340 0.001 0.000 0.213 585 L C 2.441 179.064 176.870 -0.411 0.000 1.072 585 L CA 1.524 56.138 54.840 -0.377 0.000 0.755 585 L CB -0.449 41.318 42.059 -0.487 0.000 0.889 585 L HN 0.080 nan 8.230 nan 0.000 0.432 586 V N 0.105 119.710 119.914 -0.515 0.000 2.594 586 V HA -0.243 3.878 4.120 0.001 0.000 0.253 586 V C 2.638 178.591 176.094 -0.235 0.000 1.069 586 V CA 1.560 63.592 62.300 -0.447 0.000 1.082 586 V CB -0.680 30.773 31.823 -0.616 0.000 0.680 586 V HN 0.627 nan 8.190 nan 0.000 0.469 587 A N -2.003 120.717 122.820 -0.167 0.000 2.021 587 A HA -0.099 4.221 4.320 0.001 0.000 0.216 587 A C 2.042 179.617 177.584 -0.015 0.000 1.163 587 A CA 0.939 52.955 52.037 -0.035 0.000 0.676 587 A CB -0.523 18.477 19.000 0.000 0.000 0.818 587 A HN 0.676 nan 8.150 nan 0.000 0.453 588 H N -2.930 115.957 119.070 -0.305 0.000 2.399 588 H HA 0.068 4.624 4.556 0.001 0.000 0.300 588 H C -0.257 174.605 175.328 -0.777 0.000 1.048 588 H CA 0.869 56.588 56.048 -0.548 0.000 1.370 588 H CB 0.263 29.744 29.762 -0.467 0.000 1.428 588 H HN 0.527 nan 8.280 nan 0.000 0.534 589 Y N 0.676 120.761 120.300 -0.359 0.000 2.837 589 Y HA 0.284 4.835 4.550 0.001 0.000 0.356 589 Y C -2.469 173.242 175.900 -0.316 0.000 1.035 589 Y CA -2.975 54.796 58.100 -0.549 0.000 1.165 589 Y CB 0.782 38.455 38.460 -1.311 0.000 1.147 589 Y HN 0.006 nan 8.280 nan 0.000 0.628 590 P HA 0.003 nan 4.420 nan 0.000 0.261 590 P C -2.465 174.943 177.300 0.181 0.000 1.203 590 P CA -0.703 62.466 63.100 0.116 0.000 0.767 590 P CB 0.246 32.050 31.700 0.173 0.000 0.785 591 P HA 0.048 nan 4.420 nan 0.000 0.282 591 P C 0.454 177.804 177.300 0.084 0.000 1.249 591 P CA -0.255 62.910 63.100 0.108 0.000 0.806 591 P CB 1.222 32.950 31.700 0.047 0.000 0.984 592 V N -0.977 118.991 119.914 0.090 0.000 3.643 592 V HA 0.277 4.397 4.120 0.001 0.000 0.280 592 V C 0.613 176.743 176.094 0.060 0.000 1.351 592 V CA 0.527 62.865 62.300 0.064 0.000 1.073 592 V CB -0.788 31.070 31.823 0.058 0.000 0.863 592 V HN 0.567 nan 8.190 nan 0.000 0.436 593 Q N 0.125 119.967 119.800 0.069 0.000 2.295 593 Q HA 0.640 4.980 4.340 0.001 0.000 0.268 593 Q C -2.292 173.745 176.000 0.062 0.000 1.010 593 Q CA -0.357 55.478 55.803 0.054 0.000 0.856 593 Q CB 3.204 31.963 28.738 0.035 0.000 1.349 593 Q HN 0.184 nan 8.270 nan 0.000 0.412 594 V N 4.709 124.671 119.914 0.080 0.000 2.540 594 V HA 0.530 4.651 4.120 0.001 0.000 0.302 594 V C -0.541 175.646 176.094 0.155 0.000 1.035 594 V CA -0.655 61.727 62.300 0.137 0.000 0.873 594 V CB 1.787 33.721 31.823 0.185 0.000 0.992 594 V HN 0.712 nan 8.190 nan 0.000 0.428 595 L N 5.835 127.149 121.223 0.152 0.000 2.317 595 L HA 0.780 5.120 4.340 0.001 0.000 0.281 595 L C -0.636 176.460 176.870 0.375 0.000 1.024 595 L CA -0.395 54.523 54.840 0.129 0.000 0.810 595 L CB 1.388 43.472 42.059 0.041 0.000 1.240 595 L HN 0.753 nan 8.230 nan 0.000 0.427 596 F N -0.799 119.248 119.950 0.162 0.000 2.686 596 F HA 0.545 5.072 4.527 0.001 0.000 0.311 596 F C -0.688 174.934 175.800 -0.296 0.000 1.128 596 F CA -1.148 56.807 58.000 -0.075 0.000 0.946 596 F CB 1.431 40.375 39.000 -0.094 0.000 1.336 596 F HN 0.385 nan 8.300 nan 0.000 0.457 597 E N 1.844 121.674 120.200 -0.617 0.000 2.259 597 E HA 0.224 4.574 4.350 0.001 0.000 0.281 597 E C 0.331 176.881 176.600 -0.083 0.000 1.027 597 E CA -0.462 55.622 56.400 -0.528 0.000 0.838 597 E CB 1.321 30.566 29.700 -0.758 0.000 1.066 597 E HN 0.755 nan 8.360 nan 0.000 0.401 598 K N 2.405 122.760 120.400 -0.074 0.000 2.228 598 K HA -0.157 4.164 4.320 0.001 0.000 0.205 598 K C 1.006 177.669 176.600 0.104 0.000 1.045 598 K CA 1.356 57.681 56.287 0.064 0.000 0.931 598 K CB 0.054 32.563 32.500 0.015 0.000 0.727 598 K HN 0.534 nan 8.250 nan 0.000 0.458 599 G N 0.045 108.864 108.800 0.032 0.000 4.432 599 G HA2 0.037 3.998 3.960 0.001 0.000 0.294 599 G HA3 0.037 3.998 3.960 0.001 0.000 0.294 599 G C 0.057 174.945 174.900 -0.021 0.000 1.141 599 G CA -0.480 44.630 45.100 0.016 0.000 0.895 599 G HN 0.193 nan 8.290 nan 0.000 0.548 600 N N -0.111 118.569 118.700 -0.034 0.000 2.564 600 N HA 0.152 4.893 4.740 0.001 0.000 0.202 600 N C 0.535 175.988 175.510 -0.095 0.000 1.052 600 N CA -0.260 52.741 53.050 -0.083 0.000 0.872 600 N CB 0.350 38.747 38.487 -0.149 0.000 1.303 600 N HN 0.142 nan 8.380 nan 0.000 0.440 601 L N 2.586 123.751 121.223 -0.097 0.000 2.485 601 L HA 0.072 4.412 4.340 0.001 0.000 0.275 601 L C 0.720 177.524 176.870 -0.110 0.000 1.207 601 L CA -0.396 54.361 54.840 -0.138 0.000 0.855 601 L CB 0.954 42.871 42.059 -0.237 0.000 1.114 601 L HN 0.228 nan 8.230 nan 0.000 0.485 602 S N 1.744 117.381 115.700 -0.105 0.000 2.652 602 S HA 0.253 4.724 4.470 0.001 0.000 0.270 602 S C 0.748 175.313 174.600 -0.058 0.000 1.243 602 S CA -0.908 57.246 58.200 -0.077 0.000 0.999 602 S CB 1.482 64.635 63.200 -0.078 0.000 0.973 602 S HN 0.572 nan 8.310 nan 0.000 0.544 603 K N 0.737 121.114 120.400 -0.038 0.000 2.103 603 K HA -0.130 4.191 4.320 0.001 0.000 0.207 603 K C 1.885 178.484 176.600 -0.002 0.000 1.048 603 K CA 1.616 57.889 56.287 -0.023 0.000 0.930 603 K CB -0.193 32.299 32.500 -0.014 0.000 0.716 603 K HN 0.628 nan 8.250 nan 0.000 0.444 604 E N 0.290 120.498 120.200 0.013 0.000 2.106 604 E HA -0.118 4.233 4.350 0.001 0.000 0.192 604 E C 1.984 178.627 176.600 0.071 0.000 0.984 604 E CA 1.304 57.737 56.400 0.055 0.000 0.806 604 E CB -0.489 29.250 29.700 0.065 0.000 0.750 604 E HN 0.292 nan 8.360 nan 0.000 0.458 605 T N 1.562 116.135 114.554 0.032 0.000 2.942 605 T HA -0.017 4.333 4.350 0.001 0.000 0.265 605 T C 1.815 176.502 174.700 -0.021 0.000 1.062 605 T CA 0.850 62.956 62.100 0.009 0.000 1.139 605 T CB 0.036 68.861 68.868 -0.072 0.000 0.883 605 T HN 0.134 nan 8.240 nan 0.000 0.468 606 K N 1.149 121.514 120.400 -0.058 0.000 2.097 606 K HA -0.079 4.241 4.320 0.001 0.000 0.205 606 K C 2.681 179.268 176.600 -0.022 0.000 1.050 606 K CA 1.674 57.911 56.287 -0.084 0.000 0.938 606 K CB -0.316 32.130 32.500 -0.091 0.000 0.718 606 K HN 0.471 nan 8.250 nan 0.000 0.442 607 T N -0.343 114.220 114.554 0.015 0.000 2.915 607 T HA -0.042 4.308 4.350 0.001 0.000 0.269 607 T C 1.897 176.633 174.700 0.059 0.000 1.071 607 T CA 0.793 62.916 62.100 0.039 0.000 1.132 607 T CB -0.281 68.620 68.868 0.056 0.000 0.878 607 T HN 0.079 nan 8.240 nan 0.000 0.479 608 I N 0.667 121.289 120.570 0.087 0.000 2.286 608 I HA 0.004 4.174 4.170 0.001 0.000 0.245 608 I C 2.407 178.576 176.117 0.088 0.000 1.104 608 I CA 0.979 62.348 61.300 0.115 0.000 1.397 608 I CB -0.274 37.859 38.000 0.222 0.000 1.072 608 I HN 0.201 nan 8.210 nan 0.000 0.417 609 L N 0.177 121.446 121.223 0.077 0.000 2.156 609 L HA -0.121 4.220 4.340 0.001 0.000 0.208 609 L C 1.309 178.194 176.870 0.025 0.000 1.095 609 L CA 0.994 55.862 54.840 0.046 0.000 0.770 609 L CB -0.380 41.674 42.059 -0.008 0.000 0.914 609 L HN 0.044 nan 8.230 nan 0.000 0.439 610 K N -0.120 120.290 120.400 0.017 0.000 2.862 610 K HA 0.075 4.395 4.320 0.001 0.000 0.229 610 K C 0.657 177.272 176.600 0.025 0.000 1.107 610 K CA 0.143 56.441 56.287 0.019 0.000 1.222 610 K CB 0.089 32.596 32.500 0.013 0.000 1.067 610 K HN 0.351 nan 8.250 nan 0.000 0.464 611 S N -3.245 112.470 115.700 0.026 0.000 5.452 611 S HA -0.048 4.423 4.470 0.001 0.000 0.133 611 S C 1.392 176.001 174.600 0.015 0.000 1.088 611 S CA 0.117 58.331 58.200 0.024 0.000 1.304 611 S CB -0.373 62.847 63.200 0.033 0.000 2.087 611 S HN 0.066 nan 8.310 nan 0.000 0.718 612 S N 1.281 116.989 115.700 0.012 0.000 2.595 612 S HA 0.220 4.690 4.470 0.001 0.000 0.235 612 S C 0.751 175.344 174.600 -0.012 0.000 0.974 612 S CA 0.726 58.923 58.200 -0.005 0.000 0.942 612 S CB -0.444 62.748 63.200 -0.014 0.000 0.766 612 S HN 0.423 nan 8.310 nan 0.000 0.536 613 L N 1.142 122.367 121.223 0.002 0.000 3.429 613 L HA 0.331 4.671 4.340 0.001 0.000 0.311 613 L C 1.750 178.631 176.870 0.018 0.000 1.274 613 L CA 0.421 55.264 54.840 0.006 0.000 1.037 613 L CB 0.350 42.415 42.059 0.011 0.000 1.433 613 L HN 0.321 nan 8.230 nan 0.000 0.614 614 S N -0.943 114.767 115.700 0.016 0.000 2.442 614 S HA -0.192 4.278 4.470 0.001 0.000 0.236 614 S C 1.785 176.396 174.600 0.018 0.000 1.007 614 S CA 0.929 59.141 58.200 0.020 0.000 0.965 614 S CB -0.977 62.234 63.200 0.018 0.000 0.773 614 S HN 0.609 nan 8.310 nan 0.000 0.504 615 C N 0.759 120.066 119.300 0.012 0.000 2.626 615 C HA 0.453 4.913 4.460 0.001 0.000 0.266 615 C C 1.318 176.316 174.990 0.014 0.000 1.317 615 C CA -1.054 57.968 59.018 0.008 0.000 1.716 615 C CB -1.848 25.892 27.740 -0.000 0.000 1.819 615 C HN 0.377 nan 8.230 nan 0.000 0.578 616 S N 0.746 116.460 115.700 0.024 0.000 2.652 616 S HA 0.647 5.118 4.470 0.001 0.000 0.267 616 S C -0.527 174.099 174.600 0.044 0.000 1.201 616 S CA -0.136 58.086 58.200 0.036 0.000 0.996 616 S CB 0.456 63.684 63.200 0.046 0.000 1.054 616 S HN 0.309 nan 8.310 nan 0.000 0.561 617 L N 1.864 123.119 121.223 0.054 0.000 2.305 617 L HA 0.470 4.811 4.340 0.001 0.000 0.284 617 L C -0.354 176.572 176.870 0.092 0.000 1.013 617 L CA -0.107 54.770 54.840 0.063 0.000 0.819 617 L CB 1.127 43.219 42.059 0.055 0.000 1.227 617 L HN 0.465 nan 8.230 nan 0.000 0.417 618 Q N 3.085 122.964 119.800 0.133 0.000 2.257 618 Q HA 0.526 4.866 4.340 0.001 0.000 0.255 618 Q C -0.832 175.285 176.000 0.195 0.000 0.920 618 Q CA -0.271 55.676 55.803 0.241 0.000 0.927 618 Q CB 1.698 30.626 28.738 0.316 0.000 1.229 618 Q HN 0.296 nan 8.270 nan 0.000 0.433 619 E N 1.483 121.744 120.200 0.101 0.000 2.182 619 E HA 0.392 4.743 4.350 0.001 0.000 0.258 619 E C -0.614 175.640 176.600 -0.577 0.000 0.879 619 E CA -0.551 55.779 56.400 -0.117 0.000 0.754 619 E CB 1.693 31.302 29.700 -0.152 0.000 1.162 619 E HN 0.712 nan 8.360 nan 0.000 0.419 620 G N 3.567 111.988 108.800 -0.632 0.000 2.327 620 G HA2 0.485 4.446 3.960 0.001 0.000 0.302 620 G HA3 0.485 4.446 3.960 0.001 0.000 0.302 620 G C -0.148 174.499 174.900 -0.422 0.000 1.113 620 G CA -0.390 44.122 45.100 -0.980 0.000 0.921 620 G HN 0.306 nan 8.290 nan 0.000 0.425 621 L N 2.681 123.679 121.223 -0.374 0.000 2.325 621 L HA 0.455 4.796 4.340 0.001 0.000 0.278 621 L C 0.351 177.150 176.870 -0.120 0.000 1.023 621 L CA -0.981 53.762 54.840 -0.162 0.000 0.811 621 L CB 2.073 44.089 42.059 -0.072 0.000 1.249 621 L HN 0.352 nan 8.230 nan 0.000 0.431 622 I N 3.516 124.022 120.570 -0.106 0.000 2.618 622 I HA 0.091 4.262 4.170 0.001 0.000 0.284 622 I C -1.972 174.131 176.117 -0.023 0.000 1.146 622 I CA -1.545 59.719 61.300 -0.059 0.000 1.425 622 I CB 0.418 38.388 38.000 -0.051 0.000 1.383 622 I HN 0.265 nan 8.210 nan 0.000 0.562 623 P HA 0.033 nan 4.420 nan 0.000 0.265 623 P C 0.874 178.221 177.300 0.078 0.000 1.193 623 P CA 0.752 63.884 63.100 0.052 0.000 0.765 623 P CB 0.789 32.504 31.700 0.025 0.000 0.823 624 G N 2.733 111.618 108.800 0.141 0.000 4.039 624 G HA2 -0.370 3.591 3.960 0.001 0.000 0.220 624 G HA3 -0.370 3.591 3.960 0.001 0.000 0.220 624 G C 1.551 176.585 174.900 0.223 0.000 1.391 624 G CA 0.796 45.991 45.100 0.158 0.000 0.920 624 G HN 0.593 nan 8.290 nan 0.000 0.599 625 S N -0.017 115.768 115.700 0.143 0.000 2.387 625 S HA 0.120 4.591 4.470 0.001 0.000 0.226 625 S C 2.075 176.762 174.600 0.145 0.000 1.026 625 S CA 1.944 60.241 58.200 0.162 0.000 0.972 625 S CB -0.090 63.159 63.200 0.082 0.000 0.814 625 S HN 0.759 nan 8.310 nan 0.000 0.477 626 Q N -0.703 118.997 119.800 -0.168 0.000 2.525 626 Q HA 0.372 4.713 4.340 0.001 0.000 0.203 626 Q C -0.212 175.256 176.000 -0.885 0.000 0.947 626 Q CA -0.094 55.157 55.803 -0.920 0.000 0.881 626 Q CB 0.075 28.254 28.738 -0.931 0.000 1.049 626 Q HN 0.515 nan 8.270 nan 0.000 0.600 627 F N 2.715 122.381 119.950 -0.474 0.000 2.509 627 F HA 0.069 4.597 4.527 0.001 0.000 0.350 627 F C -0.454 175.313 175.800 -0.055 0.000 1.220 627 F CA -0.823 57.003 58.000 -0.291 0.000 1.151 627 F CB 0.365 39.269 39.000 -0.161 0.000 1.379 627 F HN 0.121 nan 8.300 nan 0.000 0.610 628 W N 4.344 125.584 121.300 -0.100 0.000 2.170 628 W HA 0.111 4.772 4.660 0.001 0.000 0.336 628 W C 0.232 176.783 176.519 0.054 0.000 1.283 628 W CA -1.172 56.166 57.345 -0.011 0.000 1.224 628 W CB -0.037 29.412 29.460 -0.019 0.000 1.132 628 W HN 0.491 nan 8.180 nan 0.000 0.571 629 D N 0.004 120.584 120.400 0.300 0.000 2.357 629 D HA 0.355 4.995 4.640 0.001 0.000 0.242 629 D C 1.186 177.588 176.300 0.170 0.000 1.153 629 D CA -0.121 54.000 54.000 0.202 0.000 0.918 629 D CB 0.618 41.497 40.800 0.132 0.000 1.181 629 D HN 0.291 nan 8.370 nan 0.000 0.435 630 A N 1.523 124.422 122.820 0.133 0.000 1.903 630 A HA -0.256 4.064 4.320 0.001 0.000 0.219 630 A C 2.173 179.802 177.584 0.075 0.000 1.191 630 A CA 2.160 54.260 52.037 0.104 0.000 0.638 630 A CB -1.178 17.871 19.000 0.082 0.000 0.823 630 A HN 0.552 nan 8.150 nan 0.000 0.451 631 S N -0.802 114.929 115.700 0.052 0.000 2.382 631 S HA -0.145 4.325 4.470 0.001 0.000 0.228 631 S C 1.969 176.566 174.600 -0.005 0.000 1.027 631 S CA 1.552 59.765 58.200 0.021 0.000 0.991 631 S CB -0.214 62.993 63.200 0.011 0.000 0.823 631 S HN 0.694 nan 8.310 nan 0.000 0.469 632 K N 0.828 121.220 120.400 -0.014 0.000 2.155 632 K HA -0.062 4.258 4.320 0.001 0.000 0.203 632 K C 1.881 178.412 176.600 -0.116 0.000 1.052 632 K CA 1.349 57.567 56.287 -0.116 0.000 0.948 632 K CB -0.205 32.182 32.500 -0.187 0.000 0.728 632 K HN 0.269 nan 8.250 nan 0.000 0.448 633 T N 1.929 116.515 114.554 0.053 0.000 2.708 633 T HA -0.103 4.247 4.350 0.001 0.000 0.266 633 T C 1.779 176.527 174.700 0.080 0.000 1.037 633 T CA 1.181 63.376 62.100 0.157 0.000 1.146 633 T CB -0.116 68.883 68.868 0.217 0.000 0.865 633 T HN 0.153 nan 8.240 nan 0.000 0.435 634 L N 0.394 121.644 121.223 0.046 0.000 2.046 634 L HA -0.103 4.237 4.340 0.001 0.000 0.208 634 L C 2.961 179.835 176.870 0.007 0.000 1.077 634 L CA 1.425 56.284 54.840 0.032 0.000 0.747 634 L CB -0.525 41.547 42.059 0.020 0.000 0.896 634 L HN 0.191 nan 8.230 nan 0.000 0.432 635 R N -0.520 119.961 120.500 -0.032 0.000 2.070 635 R HA -0.137 4.203 4.340 0.001 0.000 0.233 635 R C 2.285 178.536 176.300 -0.082 0.000 1.137 635 R CA 1.987 58.049 56.100 -0.063 0.000 0.945 635 R CB -0.832 29.411 30.300 -0.095 0.000 0.845 635 R HN 0.344 nan 8.270 nan 0.000 0.430 636 T N 2.005 116.488 114.554 -0.118 0.000 2.720 636 T HA -0.119 4.231 4.350 0.001 0.000 0.268 636 T C 1.951 176.639 174.700 -0.019 0.000 1.037 636 T CA 1.133 63.160 62.100 -0.122 0.000 1.144 636 T CB -0.229 68.510 68.868 -0.215 0.000 0.864 636 T HN 0.137 nan 8.240 nan 0.000 0.444 637 L N 0.273 121.537 121.223 0.068 0.000 2.079 637 L HA -0.094 4.247 4.340 0.001 0.000 0.210 637 L C 2.459 179.320 176.870 -0.015 0.000 1.081 637 L CA 1.217 56.129 54.840 0.120 0.000 0.752 637 L CB -0.603 41.560 42.059 0.173 0.000 0.896 637 L HN 0.284 nan 8.230 nan 0.000 0.433 638 L N -0.919 120.295 121.223 -0.014 0.000 2.095 638 L HA -0.143 4.197 4.340 0.001 0.000 0.204 638 L C 2.453 179.262 176.870 -0.102 0.000 1.080 638 L CA 1.073 55.894 54.840 -0.031 0.000 0.759 638 L CB -0.489 41.567 42.059 -0.005 0.000 0.914 638 L HN 0.228 nan 8.230 nan 0.000 0.439 639 E N 0.038 120.165 120.200 -0.120 0.000 2.110 639 E HA -0.187 4.164 4.350 0.001 0.000 0.193 639 E C 1.767 178.235 176.600 -0.220 0.000 0.988 639 E CA 0.820 57.134 56.400 -0.144 0.000 0.804 639 E CB 0.059 29.681 29.700 -0.129 0.000 0.745 639 E HN 0.365 nan 8.360 nan 0.000 0.458 640 E N 0.609 120.595 120.200 -0.358 0.000 2.511 640 E HA -0.089 4.261 4.350 0.001 0.000 0.196 640 E C -0.070 176.144 176.600 -0.643 0.000 1.066 640 E CA 0.283 56.323 56.400 -0.600 0.000 0.871 640 E CB 0.140 29.191 29.700 -1.082 0.000 0.863 640 E HN 0.179 nan 8.360 nan 0.000 0.520 641 E N -0.609 119.342 120.200 -0.415 0.000 2.539 641 E HA -0.251 4.100 4.350 0.001 0.000 0.253 641 E C 0.290 176.745 176.600 -0.242 0.000 1.145 641 E CA 0.466 56.715 56.400 -0.251 0.000 0.738 641 E CB -2.149 27.461 29.700 -0.151 0.000 1.308 641 E HN 0.467 nan 8.360 nan 0.000 0.409 642 Y N -0.905 119.215 120.300 -0.300 0.000 2.224 642 Y HA -0.127 4.424 4.550 0.001 0.000 0.289 642 Y C 1.729 177.456 175.900 -0.289 0.000 1.146 642 Y CA 1.269 59.124 58.100 -0.407 0.000 1.182 642 Y CB -0.144 37.843 38.460 -0.788 0.000 0.983 642 Y HN 0.114 nan 8.280 nan 0.000 0.524 643 F N -0.474 119.596 119.950 0.200 0.000 2.916 643 F HA 0.324 4.851 4.527 0.001 0.000 0.294 643 F C 1.366 177.227 175.800 0.102 0.000 1.189 643 F CA -0.854 57.230 58.000 0.140 0.000 1.369 643 F CB -0.370 38.690 39.000 0.101 0.000 0.961 643 F HN -0.081 nan 8.300 nan 0.000 0.508 644 R N 0.064 120.687 120.500 0.206 0.000 2.075 644 R HA 0.014 4.354 4.340 0.001 0.000 0.220 644 R C 1.617 178.022 176.300 0.174 0.000 1.118 644 R CA 0.708 56.899 56.100 0.152 0.000 0.986 644 R CB -0.010 30.342 30.300 0.087 0.000 0.884 644 R HN 0.185 nan 8.270 nan 0.000 0.439 645 E N 1.423 121.745 120.200 0.204 0.000 2.153 645 E HA -0.067 4.284 4.350 0.001 0.000 0.194 645 E C 0.300 177.050 176.600 0.249 0.000 0.988 645 E CA 1.268 57.822 56.400 0.256 0.000 0.811 645 E CB 0.108 30.004 29.700 0.326 0.000 0.746 645 E HN 0.299 nan 8.360 nan 0.000 0.466 646 K N -0.394 120.141 120.400 0.225 0.000 2.350 646 K HA 0.456 4.776 4.320 0.001 0.000 0.241 646 K C 0.210 176.918 176.600 0.180 0.000 0.994 646 K CA -0.805 55.597 56.287 0.193 0.000 0.839 646 K CB 2.184 34.750 32.500 0.110 0.000 1.244 646 K HN -0.191 nan 8.250 nan 0.000 0.443 647 L N 0.198 121.506 121.223 0.143 0.000 3.843 647 L HA -0.254 4.087 4.340 0.001 0.000 0.411 647 L C 0.013 176.947 176.870 0.106 0.000 1.205 647 L CA 0.162 55.060 54.840 0.098 0.000 0.945 647 L CB -2.293 39.800 42.059 0.057 0.000 1.929 647 L HN 0.746 nan 8.230 nan 0.000 0.934 648 S N -0.881 114.887 115.700 0.113 0.000 2.549 648 S HA 0.490 4.961 4.470 0.001 0.000 0.283 648 S C -0.100 174.543 174.600 0.072 0.000 1.320 648 S CA -0.393 57.867 58.200 0.101 0.000 1.058 648 S CB 2.328 65.591 63.200 0.106 0.000 0.882 648 S HN 0.306 nan 8.310 nan 0.000 0.498 649 D N 0.537 120.975 120.400 0.063 0.000 2.886 649 D HA 0.508 5.148 4.640 0.001 0.000 0.216 649 D C 0.433 176.757 176.300 0.039 0.000 1.256 649 D CA -0.080 53.947 54.000 0.045 0.000 0.844 649 D CB 1.464 42.287 40.800 0.039 0.000 1.669 649 D HN 0.723 nan 8.370 nan 0.000 0.513 650 G N 2.049 110.867 108.800 0.031 0.000 2.785 650 G HA2 0.374 4.335 3.960 0.001 0.000 0.256 650 G HA3 0.374 4.335 3.960 0.001 0.000 0.256 650 G C 0.716 175.628 174.900 0.020 0.000 1.248 650 G CA 0.192 45.306 45.100 0.024 0.000 0.914 650 G HN 0.798 nan 8.290 nan 0.000 0.580 654 M N 0.592 120.241 119.600 0.081 0.000 2.414 654 M HA 0.739 5.219 4.480 0.001 0.000 0.287 654 M C -1.673 174.614 176.300 -0.022 0.000 1.181 654 M CA -0.651 54.666 55.300 0.028 0.000 0.933 654 M CB 2.029 34.631 32.600 0.003 0.000 1.732 654 M HN 0.707 nan 8.290 nan 0.000 0.486 655 L N 2.344 123.524 121.223 -0.072 0.000 2.452 655 L HA 0.440 4.780 4.340 0.001 0.000 0.267 655 L C -2.050 174.613 176.870 -0.345 0.000 1.188 655 L CA -1.636 53.056 54.840 -0.246 0.000 0.821 655 L CB 0.257 42.221 42.059 -0.159 0.000 1.102 655 L HN 0.450 nan 8.230 nan 0.000 0.470 656 P HA -0.011 nan 4.420 nan 0.000 0.266 656 P C 0.040 177.203 177.300 -0.230 0.000 1.195 656 P CA -0.008 62.865 63.100 -0.378 0.000 0.768 656 P CB 0.447 31.878 31.700 -0.449 0.000 0.838 657 Q N 1.073 120.796 119.800 -0.127 0.000 2.242 657 Q HA -0.174 4.167 4.340 0.001 0.000 0.211 657 Q C 1.573 177.529 176.000 -0.073 0.000 0.992 657 Q CA 1.490 57.245 55.803 -0.080 0.000 0.889 657 Q CB -0.391 28.322 28.738 -0.042 0.000 0.913 657 Q HN 0.303 nan 8.270 nan 0.000 0.422 658 V N 0.440 120.308 119.914 -0.077 0.000 2.453 658 V HA -0.208 3.912 4.120 0.001 0.000 0.247 658 V C 2.007 178.046 176.094 -0.092 0.000 1.048 658 V CA 1.313 63.584 62.300 -0.049 0.000 1.049 658 V CB -0.340 31.487 31.823 0.008 0.000 0.672 658 V HN 0.340 nan 8.190 nan 0.000 0.457 659 L N -0.757 120.349 121.223 -0.196 0.000 2.341 659 L HA -0.017 4.324 4.340 0.001 0.000 0.214 659 L C 2.474 179.268 176.870 -0.126 0.000 1.115 659 L CA 1.010 55.725 54.840 -0.208 0.000 0.820 659 L CB -0.481 41.351 42.059 -0.378 0.000 0.944 659 L HN 0.252 nan 8.230 nan 0.000 0.452 660 K N 0.325 120.657 120.400 -0.114 0.000 2.155 660 K HA -0.046 4.274 4.320 0.001 0.000 0.203 660 K C 2.100 178.674 176.600 -0.042 0.000 1.052 660 K CA 1.186 57.431 56.287 -0.070 0.000 0.948 660 K CB -0.255 32.206 32.500 -0.064 0.000 0.728 660 K HN 0.352 nan 8.250 nan 0.000 0.448 661 G N 1.023 109.800 108.800 -0.038 0.000 2.471 661 G HA2 -0.182 3.778 3.960 0.001 0.000 0.219 661 G HA3 -0.182 3.778 3.960 0.001 0.000 0.219 661 G C 1.367 176.263 174.900 -0.008 0.000 1.125 661 G CA 0.294 45.384 45.100 -0.017 0.000 0.775 661 G HN 0.112 nan 8.290 nan 0.000 0.548 662 M N 1.589 121.181 119.600 -0.014 0.000 2.618 662 M HA 0.104 4.585 4.480 0.001 0.000 0.240 662 M C 1.105 177.405 176.300 0.000 0.000 1.123 662 M CA 0.648 55.948 55.300 0.000 0.000 1.060 662 M CB -0.777 31.821 32.600 -0.004 0.000 1.535 662 M HN 0.281 nan 8.290 nan 0.000 0.507 663 T N -1.461 113.088 114.554 -0.008 0.000 2.927 663 T HA 0.706 5.057 4.350 0.001 0.000 0.286 663 T C 0.152 174.851 174.700 -0.003 0.000 1.040 663 T CA -0.583 61.515 62.100 -0.004 0.000 1.010 663 T CB 2.462 71.325 68.868 -0.010 0.000 1.177 663 T HN 0.250 nan 8.240 nan 0.000 0.546 664 S N -0.750 114.950 115.700 -0.000 0.000 2.840 664 S HA 0.504 4.974 4.470 0.001 0.000 0.307 664 S C 0.952 175.551 174.600 -0.000 0.000 1.180 664 S CA -0.024 58.176 58.200 0.000 0.000 0.846 664 S CB 1.254 64.456 63.200 0.003 0.000 1.233 664 S HN 1.257 nan 8.310 nan 0.000 0.548 665 E N 0.464 120.664 120.200 -0.000 0.000 4.751 665 E HA -0.445 3.905 4.350 0.001 0.000 0.189 665 E C 0.604 177.203 176.600 -0.001 0.000 1.389 665 E CA 2.336 58.736 56.400 -0.000 0.000 2.157 665 E CB -2.212 27.488 29.700 0.001 0.000 1.944 665 E HN 1.501 nan 8.360 nan 0.000 0.264 666 S N 0.999 116.698 115.700 -0.001 0.000 3.490 666 S HA -0.228 4.242 4.470 0.001 0.000 0.301 666 S C 0.165 174.764 174.600 -0.002 0.000 1.233 666 S CA 1.004 59.203 58.200 -0.002 0.000 0.914 666 S CB -1.629 61.569 63.200 -0.002 0.000 1.047 666 S HN 0.704 nan 8.310 nan 0.000 0.602 667 D N 1.300 121.699 120.400 -0.001 0.000 2.223 667 D HA 0.205 4.845 4.640 0.001 0.000 0.250 667 D C 0.989 177.288 176.300 -0.002 0.000 1.287 667 D CA 0.568 54.567 54.000 -0.002 0.000 0.977 667 D CB 0.316 41.115 40.800 -0.001 0.000 1.177 667 D HN 0.121 nan 8.370 nan 0.000 0.536 668 S N -0.627 115.071 115.700 -0.002 0.000 3.188 668 S HA 0.059 4.530 4.470 0.001 0.000 0.257 668 S C 0.901 175.498 174.600 -0.004 0.000 1.163 668 S CA 0.055 58.253 58.200 -0.003 0.000 1.259 668 S CB -1.210 61.988 63.200 -0.003 0.000 0.995 668 S HN 0.366 nan 8.310 nan 0.000 0.474 669 I N -0.613 119.955 120.570 -0.004 0.000 4.670 669 I HA 0.325 4.496 4.170 0.001 0.000 0.339 669 I C 1.126 177.240 176.117 -0.005 0.000 1.310 669 I CA 0.041 61.339 61.300 -0.004 0.000 1.288 669 I CB 0.396 38.394 38.000 -0.003 0.000 1.427 669 I HN 0.490 nan 8.210 nan 0.000 0.494 670 G N 2.389 111.186 108.800 -0.005 0.000 2.499 670 G HA2 -0.195 3.765 3.960 0.001 0.000 0.232 670 G HA3 -0.195 3.765 3.960 0.001 0.000 0.232 670 G C -0.596 174.303 174.900 -0.003 0.000 1.251 670 G CA -0.729 44.368 45.100 -0.005 0.000 0.917 670 G HN 0.060 nan 8.290 nan 0.000 0.580 671 L N 2.178 123.399 121.223 -0.003 0.000 2.257 671 L HA 0.562 4.902 4.340 0.001 0.000 0.290 671 L C 0.941 177.811 176.870 0.001 0.000 1.044 671 L CA -0.062 54.777 54.840 -0.000 0.000 0.810 671 L CB 1.247 43.307 42.059 0.002 0.000 1.193 671 L HN 0.949 nan 8.230 nan 0.000 0.425 672 T N 0.920 115.475 114.554 0.002 0.000 2.888 672 T HA 0.575 4.926 4.350 0.001 0.000 0.284 672 T C -2.657 172.048 174.700 0.008 0.000 1.017 672 T CA -2.491 59.612 62.100 0.005 0.000 1.022 672 T CB 1.799 70.670 68.868 0.004 0.000 1.013 672 T HN 0.142 nan 8.240 nan 0.000 0.465 673 P HA 0.271 nan 4.420 nan 0.000 0.266 673 P C 0.604 177.913 177.300 0.016 0.000 1.195 673 P CA 0.071 63.183 63.100 0.019 0.000 0.768 673 P CB 0.129 31.846 31.700 0.029 0.000 0.838 674 G N 2.166 110.975 108.800 0.015 0.000 2.544 674 G HA2 -0.021 3.939 3.960 0.001 0.000 0.242 674 G HA3 -0.021 3.939 3.960 0.001 0.000 0.242 674 G C 0.760 175.670 174.900 0.017 0.000 1.247 674 G CA -0.344 44.765 45.100 0.014 0.000 0.840 674 G HN 0.502 nan 8.290 nan 0.000 0.578 675 E N 0.828 121.036 120.200 0.014 0.000 2.086 675 E HA -0.181 4.169 4.350 0.001 0.000 0.200 675 E C 1.412 178.021 176.600 0.015 0.000 1.012 675 E CA 1.281 57.689 56.400 0.013 0.000 0.812 675 E CB 0.003 29.709 29.700 0.010 0.000 0.743 675 E HN 0.502 nan 8.360 nan 0.000 0.453 676 K N 0.036 120.446 120.400 0.018 0.000 2.577 676 K HA 0.195 4.516 4.320 0.001 0.000 0.210 676 K C 0.347 176.967 176.600 0.033 0.000 1.048 676 K CA -0.073 56.227 56.287 0.021 0.000 1.188 676 K CB 0.764 33.277 32.500 0.021 0.000 0.910 676 K HN -0.129 nan 8.250 nan 0.000 0.483 677 S N 0.304 116.024 115.700 0.034 0.000 2.900 677 S HA 0.091 4.561 4.470 0.001 0.000 0.253 677 S C 0.815 175.447 174.600 0.052 0.000 1.029 677 S CA -0.362 57.866 58.200 0.047 0.000 1.096 677 S CB 0.468 63.694 63.200 0.042 0.000 1.067 677 S HN 0.285 nan 8.310 nan 0.000 0.610 678 E N 1.694 121.921 120.200 0.045 0.000 2.058 678 E HA -0.113 4.237 4.350 0.001 0.000 0.194 678 E C 1.488 178.132 176.600 0.074 0.000 0.997 678 E CA 1.134 57.566 56.400 0.053 0.000 0.801 678 E CB -0.210 29.515 29.700 0.041 0.000 0.746 678 E HN 0.452 nan 8.360 nan 0.000 0.450 679 L N 0.528 121.790 121.223 0.065 0.000 2.046 679 L HA -0.158 4.182 4.340 0.001 0.000 0.208 679 L C 2.636 179.581 176.870 0.124 0.000 1.077 679 L CA 1.032 55.922 54.840 0.083 0.000 0.747 679 L CB -0.514 41.565 42.059 0.034 0.000 0.896 679 L HN 0.124 nan 8.230 nan 0.000 0.432 680 A N 0.087 122.974 122.820 0.112 0.000 1.898 680 A HA -0.117 4.204 4.320 0.001 0.000 0.216 680 A C 2.244 179.907 177.584 0.132 0.000 1.181 680 A CA 1.262 53.382 52.037 0.139 0.000 0.620 680 A CB -0.631 18.452 19.000 0.139 0.000 0.819 680 A HN 0.357 nan 8.150 nan 0.000 0.442 681 L N -0.716 120.571 121.223 0.107 0.000 2.201 681 L HA -0.097 4.243 4.340 0.001 0.000 0.212 681 L C 2.803 179.742 176.870 0.116 0.000 1.105 681 L CA 1.276 56.174 54.840 0.097 0.000 0.775 681 L CB -0.243 41.860 42.059 0.074 0.000 0.913 681 L HN 0.492 nan 8.230 nan 0.000 0.440 682 S N -0.343 115.442 115.700 0.143 0.000 2.414 682 S HA -0.054 4.417 4.470 0.001 0.000 0.227 682 S C 2.116 176.784 174.600 0.112 0.000 1.022 682 S CA 0.954 59.261 58.200 0.180 0.000 0.958 682 S CB 0.078 63.438 63.200 0.267 0.000 0.797 682 S HN 0.414 nan 8.310 nan 0.000 0.493 683 A N 1.547 124.473 122.820 0.177 0.000 1.873 683 A HA 0.034 4.354 4.320 0.001 0.000 0.215 683 A C 2.104 179.689 177.584 0.001 0.000 1.186 683 A CA 1.566 53.699 52.037 0.160 0.000 0.616 683 A CB -0.948 18.201 19.000 0.249 0.000 0.823 683 A HN 0.565 nan 8.150 nan 0.000 0.442 684 L N 0.333 121.598 121.223 0.071 0.000 2.079 684 L HA -0.060 4.281 4.340 0.001 0.000 0.210 684 L C 2.337 179.207 176.870 0.000 0.000 1.081 684 L CA 2.318 57.206 54.840 0.079 0.000 0.752 684 L CB -1.019 41.108 42.059 0.115 0.000 0.896 684 L HN 0.304 nan 8.230 nan 0.000 0.433 685 G N -1.024 107.765 108.800 -0.019 0.000 2.440 685 G HA2 -0.238 3.722 3.960 0.001 0.000 0.218 685 G HA3 -0.238 3.722 3.960 0.001 0.000 0.218 685 G C 1.516 176.141 174.900 -0.459 0.000 1.154 685 G CA 0.603 45.705 45.100 0.004 0.000 0.767 685 G HN 0.597 nan 8.290 nan 0.000 0.552 686 G N -0.279 108.055 108.800 -0.777 0.000 2.422 686 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 686 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 686 G C 1.945 176.613 174.900 -0.385 0.000 1.146 686 G CA 1.323 45.814 45.100 -1.015 0.000 0.769 686 G HN 0.508 nan 8.290 nan 0.000 0.547 687 C N -0.017 119.159 119.300 -0.206 0.000 2.453 687 C HA 0.029 4.489 4.460 0.001 0.000 0.277 687 C C 3.070 178.087 174.990 0.044 0.000 1.262 687 C CA 1.123 60.154 59.018 0.021 0.000 1.718 687 C CB -0.945 26.877 27.740 0.137 0.000 2.031 687 C HN 0.245 nan 8.230 nan 0.000 0.480 688 V N 0.794 120.687 119.914 -0.035 0.000 2.295 688 V HA -0.187 3.934 4.120 0.001 0.000 0.246 688 V C 2.137 178.174 176.094 -0.094 0.000 1.049 688 V CA 2.484 64.777 62.300 -0.012 0.000 1.024 688 V CB -1.131 30.768 31.823 0.126 0.000 0.648 688 V HN 0.660 nan 8.190 nan 0.000 0.447 689 F N 0.089 119.672 119.950 -0.611 0.000 2.091 689 F HA -0.300 4.227 4.527 0.001 0.000 0.299 689 F C 2.291 177.981 175.800 -0.185 0.000 1.103 689 F CA 2.182 59.798 58.000 -0.639 0.000 1.228 689 F CB -0.509 37.840 39.000 -1.085 0.000 0.984 689 F HN 0.205 nan 8.300 nan 0.000 0.477 690 Y N 0.720 120.892 120.300 -0.213 0.000 2.200 690 Y HA -0.145 4.405 4.550 0.001 0.000 0.290 690 Y C 2.125 177.921 175.900 -0.173 0.000 1.137 690 Y CA 1.879 59.864 58.100 -0.192 0.000 1.163 690 Y CB -0.452 38.013 38.460 0.008 0.000 0.988 690 Y HN 0.078 nan 8.280 nan 0.000 0.518 691 L N -0.140 121.091 121.223 0.013 0.000 2.131 691 L HA -0.224 4.116 4.340 0.001 0.000 0.210 691 L C 2.442 179.267 176.870 -0.074 0.000 1.092 691 L CA 1.606 56.446 54.840 -0.000 0.000 0.759 691 L CB -0.481 41.636 42.059 0.097 0.000 0.903 691 L HN 0.123 nan 8.230 nan 0.000 0.435 692 K N 0.690 121.021 120.400 -0.115 0.000 2.062 692 K HA -0.193 4.128 4.320 0.001 0.000 0.205 692 K C 2.240 178.699 176.600 -0.235 0.000 1.051 692 K CA 1.087 57.317 56.287 -0.095 0.000 0.941 692 K CB 0.105 32.603 32.500 -0.005 0.000 0.719 692 K HN 0.062 nan 8.250 nan 0.000 0.440 693 K N 0.091 120.213 120.400 -0.463 0.000 2.057 693 K HA -0.136 4.184 4.320 0.001 0.000 0.207 693 K C 1.624 178.009 176.600 -0.358 0.000 1.049 693 K CA 1.652 57.640 56.287 -0.498 0.000 0.931 693 K CB -0.065 31.986 32.500 -0.748 0.000 0.714 693 K HN 0.234 nan 8.250 nan 0.000 0.440 694 C N 0.588 119.669 119.300 -0.365 0.000 2.522 694 C HA 0.215 4.676 4.460 0.001 0.000 0.271 694 C C 0.689 175.616 174.990 -0.105 0.000 1.425 694 C CA -0.086 58.787 59.018 -0.243 0.000 1.751 694 C CB -1.135 26.462 27.740 -0.239 0.000 1.775 694 C HN 0.659 nan 8.230 nan 0.000 0.557 695 L N -0.377 120.796 121.223 -0.082 0.000 3.600 695 L HA -0.196 4.145 4.340 0.001 0.000 0.424 695 L C 0.590 177.568 176.870 0.179 0.000 1.260 695 L CA 0.474 55.333 54.840 0.031 0.000 0.883 695 L CB -1.725 40.327 42.059 -0.011 0.000 1.895 695 L HN 0.618 nan 8.230 nan 0.000 0.827 696 I N -4.302 116.324 120.570 0.093 0.000 4.160 696 I HA 0.149 4.319 4.170 0.001 0.000 0.325 696 I C 1.566 177.750 176.117 0.111 0.000 1.455 696 I CA -0.061 61.298 61.300 0.098 0.000 1.142 696 I CB 0.141 38.171 38.000 0.050 0.000 1.262 696 I HN 0.180 nan 8.210 nan 0.000 0.483 697 D N 1.744 122.215 120.400 0.118 0.000 2.117 697 D HA -0.278 4.362 4.640 0.001 0.000 0.197 697 D C 1.626 178.014 176.300 0.145 0.000 0.987 697 D CA 1.570 55.633 54.000 0.104 0.000 0.829 697 D CB -0.327 40.554 40.800 0.134 0.000 0.961 697 D HN 0.595 nan 8.370 nan 0.000 0.460 698 Q N 0.741 120.707 119.800 0.277 0.000 2.061 698 Q HA -0.185 4.156 4.340 0.001 0.000 0.204 698 Q C 2.332 178.474 176.000 0.238 0.000 0.984 698 Q CA 1.899 57.895 55.803 0.320 0.000 0.846 698 Q CB -0.157 28.724 28.738 0.237 0.000 0.902 698 Q HN 0.527 nan 8.270 nan 0.000 0.421 699 E N 0.642 120.950 120.200 0.180 0.000 2.023 699 E HA -0.202 4.149 4.350 0.001 0.000 0.196 699 E C 2.116 178.899 176.600 0.304 0.000 1.003 699 E CA 1.229 57.756 56.400 0.212 0.000 0.809 699 E CB -0.247 29.535 29.700 0.138 0.000 0.755 699 E HN 0.289 nan 8.360 nan 0.000 0.449 700 L N 0.567 121.914 121.223 0.208 0.000 2.027 700 L HA -0.182 4.159 4.340 0.001 0.000 0.206 700 L C 2.601 179.625 176.870 0.256 0.000 1.074 700 L CA 0.935 55.904 54.840 0.215 0.000 0.745 700 L CB -0.433 41.767 42.059 0.236 0.000 0.898 700 L HN 0.146 nan 8.230 nan 0.000 0.433 701 L N -0.232 121.060 121.223 0.115 0.000 2.093 701 L HA -0.158 4.182 4.340 0.001 0.000 0.208 701 L C 2.729 179.713 176.870 0.190 0.000 1.085 701 L CA 1.339 56.159 54.840 -0.033 0.000 0.755 701 L CB -0.586 41.048 42.059 -0.709 0.000 0.904 701 L HN 0.361 nan 8.230 nan 0.000 0.435 702 S N -0.872 114.971 115.700 0.238 0.000 2.584 702 S HA -0.114 4.356 4.470 0.001 0.000 0.240 702 S C 1.763 176.537 174.600 0.290 0.000 0.975 702 S CA 0.715 59.114 58.200 0.333 0.000 0.949 702 S CB -0.366 63.049 63.200 0.357 0.000 0.761 702 S HN 0.404 nan 8.310 nan 0.000 0.536 703 M N 0.764 120.430 119.600 0.110 0.000 2.506 703 M HA 0.282 4.762 4.480 0.001 0.000 0.260 703 M C 1.343 177.627 176.300 -0.027 0.000 1.104 703 M CA 0.603 55.796 55.300 -0.179 0.000 1.112 703 M CB -0.484 31.930 32.600 -0.311 0.000 1.401 703 M HN 0.466 nan 8.290 nan 0.000 0.473 704 A N 2.172 125.129 122.820 0.229 0.000 2.687 704 A HA -0.194 4.126 4.320 0.001 0.000 0.299 704 A C 0.029 177.723 177.584 0.183 0.000 1.497 704 A CA 0.626 52.842 52.037 0.299 0.000 0.751 704 A CB -2.422 16.675 19.000 0.162 0.000 1.048 704 A HN 0.619 nan 8.150 nan 0.000 0.464 705 N N 0.041 118.804 118.700 0.105 0.000 2.707 705 N HA 0.658 5.398 4.740 0.001 0.000 0.235 705 N C -1.200 174.217 175.510 -0.156 0.000 1.028 705 N CA -0.131 52.915 53.050 -0.006 0.000 0.906 705 N CB -0.056 38.389 38.487 -0.070 0.000 1.131 705 N HN 0.244 nan 8.380 nan 0.000 0.509 706 F N 0.504 120.426 119.950 -0.046 0.000 2.546 706 F HA 0.480 5.008 4.527 0.001 0.000 0.320 706 F C 0.552 176.262 175.800 -0.150 0.000 1.076 706 F CA -0.824 57.130 58.000 -0.076 0.000 0.928 706 F CB 1.956 40.907 39.000 -0.081 0.000 1.189 706 F HN 0.260 nan 8.300 nan 0.000 0.465 707 E N 1.043 121.206 120.200 -0.062 0.000 2.356 707 E HA 0.261 4.611 4.350 0.001 0.000 0.275 707 E C -1.702 174.880 176.600 -0.031 0.000 0.904 707 E CA -0.763 55.559 56.400 -0.130 0.000 0.757 707 E CB 1.954 31.422 29.700 -0.386 0.000 1.232 707 E HN 0.692 nan 8.360 nan 0.000 0.442 708 E N 3.085 123.308 120.200 0.038 0.000 2.194 708 E HA 0.085 4.435 4.350 0.001 0.000 0.284 708 E C -1.478 175.224 176.600 0.170 0.000 1.035 708 E CA -0.516 55.947 56.400 0.106 0.000 0.836 708 E CB 0.628 30.374 29.700 0.078 0.000 1.070 708 E HN 0.440 nan 8.360 nan 0.000 0.401 709 Y N 5.793 126.175 120.300 0.137 0.000 2.359 709 Y HA 0.371 4.921 4.550 0.001 0.000 0.334 709 Y C -0.827 175.160 175.900 0.145 0.000 1.058 709 Y CA -0.223 57.982 58.100 0.175 0.000 1.244 709 Y CB 0.430 39.027 38.460 0.229 0.000 1.187 709 Y HN 0.417 nan 8.280 nan 0.000 0.510 710 I N 8.925 129.102 120.570 -0.654 0.000 2.534 710 I HA 0.327 4.497 4.170 0.001 0.000 0.288 710 I C -2.381 173.279 176.117 -0.761 0.000 1.077 710 I CA -2.271 58.730 61.300 -0.498 0.000 1.051 710 I CB 2.023 39.899 38.000 -0.207 0.000 1.234 710 I HN 0.533 nan 8.210 nan 0.000 0.425 711 P HA 0.140 nan 4.420 nan 0.000 0.267 711 P C 0.525 177.630 177.300 -0.326 0.000 1.200 711 P CA -0.187 62.594 63.100 -0.533 0.000 0.772 711 P CB 0.666 32.093 31.700 -0.455 0.000 0.855 712 L N 1.023 122.083 121.223 -0.272 0.000 2.610 712 L HA -0.027 4.314 4.340 0.001 0.000 0.232 712 L C 0.713 177.495 176.870 -0.145 0.000 1.149 712 L CA 0.808 55.532 54.840 -0.193 0.000 0.872 712 L CB -0.645 41.312 42.059 -0.170 0.000 0.992 712 L HN 0.312 nan 8.230 nan 0.000 0.447 713 D N -0.839 119.478 120.400 -0.138 0.000 2.277 713 D HA -0.097 4.544 4.640 0.001 0.000 0.208 713 D C 2.217 178.505 176.300 -0.020 0.000 0.962 713 D CA 0.513 54.471 54.000 -0.070 0.000 0.865 713 D CB 0.130 40.897 40.800 -0.056 0.000 0.939 713 D HN 0.055 nan 8.370 nan 0.000 0.510 714 S N 0.676 116.351 115.700 -0.041 0.000 2.392 714 S HA -0.181 4.289 4.470 0.001 0.000 0.232 714 S C 1.216 175.814 174.600 -0.003 0.000 1.041 714 S CA 1.215 59.408 58.200 -0.012 0.000 1.026 714 S CB -0.163 63.016 63.200 -0.036 0.000 0.845 714 S HN 0.321 nan 8.310 nan 0.000 0.465 715 D N 0.242 120.627 120.400 -0.025 0.000 2.305 715 D HA 0.019 4.660 4.640 0.001 0.000 0.206 715 D C 2.211 178.510 176.300 -0.002 0.000 0.974 715 D CA 1.357 55.346 54.000 -0.019 0.000 0.871 715 D CB -0.209 40.564 40.800 -0.046 0.000 0.947 715 D HN 0.618 nan 8.370 nan 0.000 0.516 716 T N -2.216 112.345 114.554 0.010 0.000 3.004 716 T HA 0.057 4.407 4.350 0.001 0.000 0.243 716 T C 2.058 176.808 174.700 0.083 0.000 1.020 716 T CA 0.394 62.520 62.100 0.042 0.000 1.145 716 T CB -0.371 68.525 68.868 0.046 0.000 0.876 716 T HN -0.110 nan 8.240 nan 0.000 0.449 717 V N 1.945 121.921 119.914 0.103 0.000 2.365 717 V HA 0.319 4.439 4.120 0.001 0.000 0.232 717 V C 1.360 177.522 176.094 0.114 0.000 1.065 717 V CA 1.126 63.512 62.300 0.144 0.000 1.054 717 V CB -0.454 31.501 31.823 0.220 0.000 0.685 717 V HN 0.903 nan 8.190 nan 0.000 0.480 729 A N 0.259 123.113 122.820 0.058 0.000 2.275 729 A HA 0.040 4.361 4.320 0.001 0.000 0.212 729 A C 0.254 177.895 177.584 0.094 0.000 1.201 729 A CA 0.600 52.666 52.037 0.049 0.000 0.843 729 A CB -0.312 18.716 19.000 0.047 0.000 0.873 729 A HN 0.485 nan 8.150 nan 0.000 0.492 730 Y N 2.494 122.781 120.300 -0.021 0.000 2.930 730 Y HA 0.360 4.910 4.550 0.001 0.000 0.386 730 Y C 0.436 176.317 175.900 -0.031 0.000 1.185 730 Y CA -1.053 57.032 58.100 -0.024 0.000 1.922 730 Y CB -1.089 37.356 38.460 -0.024 0.000 2.006 730 Y HN 0.448 nan 8.280 nan 0.000 0.431 731 Q N 1.800 121.505 119.800 -0.159 0.000 2.189 731 Q HA 0.575 4.915 4.340 0.001 0.000 0.193 731 Q C -0.432 175.420 176.000 -0.247 0.000 1.034 731 Q CA -0.883 54.790 55.803 -0.217 0.000 1.062 731 Q CB 1.184 29.851 28.738 -0.119 0.000 1.118 731 Q HN 0.395 nan 8.270 nan 0.000 0.569 732 R N 0.043 120.423 120.500 -0.201 0.000 2.771 732 R HA 0.377 4.717 4.340 0.001 0.000 0.274 732 R C -0.962 175.265 176.300 -0.121 0.000 0.987 732 R CA -0.889 55.112 56.100 -0.166 0.000 0.908 732 R CB 1.851 32.042 30.300 -0.180 0.000 1.213 732 R HN 0.596 nan 8.270 nan 0.000 0.468 733 M N 2.646 122.185 119.600 -0.102 0.000 2.246 733 M HA 0.107 4.588 4.480 0.001 0.000 0.350 733 M C -0.816 175.424 176.300 -0.099 0.000 1.406 733 M CA -0.045 55.200 55.300 -0.092 0.000 1.089 733 M CB 0.635 33.187 32.600 -0.081 0.000 1.782 733 M HN 0.263 nan 8.290 nan 0.000 0.457 734 V N 7.440 127.281 119.914 -0.122 0.000 2.530 734 V HA 0.245 4.365 4.120 0.001 0.000 0.282 734 V C 0.016 176.008 176.094 -0.171 0.000 1.048 734 V CA -0.287 61.924 62.300 -0.148 0.000 0.997 734 V CB 0.914 32.622 31.823 -0.191 0.000 0.987 734 V HN 0.778 nan 8.190 nan 0.000 0.477 735 L N 5.361 126.522 121.223 -0.103 0.000 2.401 735 L HA 0.398 4.738 4.340 0.001 0.000 0.263 735 L C -0.101 176.751 176.870 -0.030 0.000 1.004 735 L CA -0.794 53.993 54.840 -0.089 0.000 0.881 735 L CB 1.453 43.480 42.059 -0.053 0.000 1.219 735 L HN 0.764 nan 8.230 nan 0.000 0.441 736 D N 1.964 122.276 120.400 -0.147 0.000 2.346 736 D HA 0.132 4.772 4.640 0.001 0.000 0.249 736 D C 1.285 177.548 176.300 -0.062 0.000 1.308 736 D CA 0.072 53.992 54.000 -0.134 0.000 0.987 736 D CB 0.887 41.576 40.800 -0.185 0.000 1.114 736 D HN 0.339 nan 8.370 nan 0.000 0.529 737 A N -0.375 122.402 122.820 -0.071 0.000 1.883 737 A HA -0.120 4.200 4.320 0.001 0.000 0.217 737 A C 2.351 179.910 177.584 -0.042 0.000 1.186 737 A CA 2.090 54.098 52.037 -0.047 0.000 0.624 737 A CB -1.080 17.877 19.000 -0.072 0.000 0.822 737 A HN 0.394 nan 8.150 nan 0.000 0.444 738 V N -0.448 119.436 119.914 -0.049 0.000 2.307 738 V HA -0.216 3.905 4.120 0.001 0.000 0.245 738 V C 2.726 178.796 176.094 -0.040 0.000 1.045 738 V CA 2.458 64.734 62.300 -0.040 0.000 1.024 738 V CB -1.395 30.408 31.823 -0.034 0.000 0.651 738 V HN 0.593 nan 8.190 nan 0.000 0.449 739 T N 0.457 114.978 114.554 -0.055 0.000 2.746 739 T HA -0.174 4.176 4.350 0.001 0.000 0.267 739 T C 1.901 176.570 174.700 -0.053 0.000 1.039 739 T CA 1.677 63.741 62.100 -0.059 0.000 1.142 739 T CB -0.356 68.452 68.868 -0.100 0.000 0.866 739 T HN 0.257 nan 8.240 nan 0.000 0.444 740 L N 1.670 122.864 121.223 -0.048 0.000 2.131 740 L HA -0.023 4.318 4.340 0.001 0.000 0.210 740 L C 1.711 178.562 176.870 -0.032 0.000 1.092 740 L CA 1.596 56.411 54.840 -0.042 0.000 0.759 740 L CB -0.519 41.522 42.059 -0.031 0.000 0.903 740 L HN 0.118 nan 8.230 nan 0.000 0.435 741 N N -0.967 117.714 118.700 -0.032 0.000 2.415 741 N HA -0.018 4.722 4.740 0.001 0.000 0.176 741 N C 1.380 176.868 175.510 -0.036 0.000 1.042 741 N CA 0.848 53.876 53.050 -0.036 0.000 0.902 741 N CB -0.292 38.174 38.487 -0.035 0.000 0.986 741 N HN 0.506 nan 8.380 nan 0.000 0.447 742 N N -0.007 118.673 118.700 -0.033 0.000 2.376 742 N HA 0.139 4.879 4.740 0.001 0.000 0.177 742 N C 0.903 176.399 175.510 -0.022 0.000 1.024 742 N CA 0.245 53.279 53.050 -0.027 0.000 0.893 742 N CB 0.325 38.797 38.487 -0.024 0.000 0.980 742 N HN 0.107 nan 8.380 nan 0.000 0.439 743 L N 1.001 122.206 121.223 -0.030 0.000 2.592 743 L HA 0.134 4.475 4.340 0.001 0.000 0.227 743 L C -0.106 176.747 176.870 -0.029 0.000 1.127 743 L CA 0.176 54.999 54.840 -0.029 0.000 0.884 743 L CB 0.090 42.120 42.059 -0.048 0.000 1.065 743 L HN 0.081 nan 8.230 nan 0.000 0.457 744 E N -0.356 119.823 120.200 -0.035 0.000 2.513 744 E HA -0.245 4.105 4.350 0.001 0.000 0.257 744 E C 0.772 177.339 176.600 -0.056 0.000 1.098 744 E CA 0.589 56.962 56.400 -0.045 0.000 0.752 744 E CB -2.117 27.568 29.700 -0.024 0.000 1.324 744 E HN 0.530 nan 8.360 nan 0.000 0.403 745 I N -0.555 119.984 120.570 -0.051 0.000 2.479 745 I HA -0.080 4.090 4.170 0.001 0.000 0.226 745 I C 1.510 177.616 176.117 -0.018 0.000 1.060 745 I CA 0.368 61.639 61.300 -0.048 0.000 1.380 745 I CB -0.174 37.791 38.000 -0.059 0.000 1.192 745 I HN 0.106 nan 8.210 nan 0.000 0.411 746 F N 3.873 123.709 119.950 -0.190 0.000 2.572 746 F HA 0.177 4.705 4.527 0.001 0.000 0.370 746 F C 0.232 175.910 175.800 -0.203 0.000 1.103 746 F CA -1.793 56.069 58.000 -0.231 0.000 1.286 746 F CB 0.071 38.909 39.000 -0.270 0.000 1.105 746 F HN 0.015 nan 8.300 nan 0.000 0.583 747 L N 5.247 126.078 121.223 -0.653 0.000 2.988 747 L HA -0.043 4.297 4.340 0.001 0.000 0.296 747 L C 0.179 176.730 176.870 -0.531 0.000 0.991 747 L CA 0.488 54.963 54.840 -0.609 0.000 1.048 747 L CB -1.308 40.363 42.059 -0.647 0.000 1.543 747 L HN 0.763 nan 8.230 nan 0.000 0.431 748 N N 1.957 120.474 118.700 -0.305 0.000 2.994 748 N HA 0.347 5.087 4.740 0.001 0.000 0.287 748 N C 0.665 176.088 175.510 -0.144 0.000 0.846 748 N CA 0.521 53.438 53.050 -0.222 0.000 1.256 748 N CB -0.225 38.149 38.487 -0.189 0.000 1.330 748 N HN 1.018 nan 8.380 nan 0.000 1.205 749 G N -0.181 108.552 108.800 -0.113 0.000 2.782 749 G HA2 -0.191 3.769 3.960 0.001 0.000 0.228 749 G HA3 -0.191 3.769 3.960 0.001 0.000 0.228 749 G C 0.320 175.179 174.900 -0.068 0.000 1.372 749 G CA 0.759 45.810 45.100 -0.081 0.000 0.862 749 G HN 1.096 nan 8.290 nan 0.000 0.547 750 T N -1.998 112.523 114.554 -0.055 0.000 3.188 750 T HA 0.356 4.707 4.350 0.001 0.000 0.250 750 T C 0.610 175.284 174.700 -0.044 0.000 1.077 750 T CA 0.796 62.869 62.100 -0.046 0.000 0.967 750 T CB -0.447 68.398 68.868 -0.038 0.000 1.006 750 T HN 0.710 nan 8.240 nan 0.000 0.552 751 N N -0.329 118.340 118.700 -0.052 0.000 2.328 751 N HA 0.540 5.281 4.740 0.001 0.000 0.299 751 N C 1.361 176.837 175.510 -0.056 0.000 1.179 751 N CA -0.918 52.103 53.050 -0.048 0.000 0.793 751 N CB 1.287 39.746 38.487 -0.047 0.000 1.366 751 N HN 0.034 nan 8.380 nan 0.000 0.493 752 G N -0.023 108.747 108.800 -0.048 0.000 2.596 752 G HA2 -0.333 3.627 3.960 0.001 0.000 0.223 752 G HA3 -0.333 3.627 3.960 0.001 0.000 0.223 752 G C 0.875 175.734 174.900 -0.068 0.000 1.120 752 G CA 1.894 46.963 45.100 -0.051 0.000 0.752 752 G HN 0.645 nan 8.290 nan 0.000 0.596 753 S N -2.438 113.219 115.700 -0.072 0.000 2.391 753 S HA 0.091 4.562 4.470 0.001 0.000 0.275 753 S C 0.795 175.340 174.600 -0.091 0.000 1.032 753 S CA 0.710 58.856 58.200 -0.089 0.000 1.421 753 S CB -0.282 62.874 63.200 -0.074 0.000 1.176 753 S HN 0.764 nan 8.310 nan 0.000 0.615 754 T N 1.674 116.183 114.554 -0.074 0.000 2.855 754 T HA 0.450 4.801 4.350 0.001 0.000 0.314 754 T C -0.451 174.200 174.700 -0.082 0.000 1.077 754 T CA -0.083 61.976 62.100 -0.069 0.000 1.095 754 T CB 0.448 69.284 68.868 -0.054 0.000 0.987 754 T HN 0.413 nan 8.240 nan 0.000 0.546 755 E N 0.458 120.612 120.200 -0.076 0.000 2.255 755 E HA 0.459 4.810 4.350 0.001 0.000 0.256 755 E C 0.166 176.727 176.600 -0.065 0.000 0.887 755 E CA -0.962 55.388 56.400 -0.083 0.000 0.782 755 E CB 1.615 31.257 29.700 -0.098 0.000 1.214 755 E HN 0.880 nan 8.360 nan 0.000 0.417 756 G N 2.534 111.298 108.800 -0.060 0.000 3.805 756 G HA2 0.024 3.984 3.960 0.001 0.000 0.290 756 G HA3 0.024 3.984 3.960 0.001 0.000 0.290 756 G C 0.575 175.453 174.900 -0.036 0.000 1.077 756 G CA -0.243 44.829 45.100 -0.046 0.000 0.852 756 G HN 0.463 nan 8.290 nan 0.000 0.531 757 T N -2.118 112.404 114.554 -0.055 0.000 2.788 757 T HA 0.268 4.619 4.350 0.001 0.000 0.287 757 T C 1.428 176.096 174.700 -0.055 0.000 1.007 757 T CA -0.522 61.542 62.100 -0.061 0.000 1.005 757 T CB 1.593 70.401 68.868 -0.099 0.000 1.012 757 T HN -0.056 nan 8.240 nan 0.000 0.530 758 L N 0.886 122.069 121.223 -0.066 0.000 2.109 758 L HA 0.162 4.503 4.340 0.001 0.000 0.207 758 L C 2.155 178.969 176.870 -0.093 0.000 1.086 758 L CA 1.336 56.125 54.840 -0.085 0.000 0.760 758 L CB -1.257 40.740 42.059 -0.104 0.000 0.910 758 L HN 0.760 nan 8.230 nan 0.000 0.437 759 L N -0.183 120.992 121.223 -0.080 0.000 2.046 759 L HA -0.192 4.148 4.340 0.001 0.000 0.208 759 L C 2.464 179.297 176.870 -0.061 0.000 1.077 759 L CA 2.125 56.923 54.840 -0.070 0.000 0.747 759 L CB -0.758 41.268 42.059 -0.055 0.000 0.896 759 L HN 0.522 nan 8.230 nan 0.000 0.432 760 E N -1.017 119.146 120.200 -0.061 0.000 2.150 760 E HA -0.275 4.075 4.350 0.001 0.000 0.193 760 E C 2.274 178.851 176.600 -0.038 0.000 0.985 760 E CA 0.684 57.056 56.400 -0.045 0.000 0.814 760 E CB -0.027 29.643 29.700 -0.051 0.000 0.752 760 E HN 0.333 nan 8.360 nan 0.000 0.466 761 R N 0.243 120.720 120.500 -0.038 0.000 2.061 761 R HA -0.080 4.261 4.340 0.001 0.000 0.230 761 R C 2.080 178.377 176.300 -0.005 0.000 1.140 761 R CA 1.885 57.979 56.100 -0.010 0.000 0.940 761 R CB -0.818 29.482 30.300 0.001 0.000 0.839 761 R HN 0.123 nan 8.270 nan 0.000 0.429 762 V N 0.971 120.832 119.914 -0.089 0.000 2.809 762 V HA -0.068 4.053 4.120 0.001 0.000 0.256 762 V C 0.395 176.427 176.094 -0.104 0.000 1.080 762 V CA 1.107 63.302 62.300 -0.175 0.000 1.102 762 V CB -0.816 30.785 31.823 -0.370 0.000 0.705 762 V HN 0.350 nan 8.190 nan 0.000 0.475 763 D N 0.786 121.138 120.400 -0.080 0.000 2.383 763 D HA 0.160 4.800 4.640 0.001 0.000 0.252 763 D C 0.974 177.214 176.300 -0.100 0.000 1.166 763 D CA 0.890 54.839 54.000 -0.085 0.000 0.879 763 D CB 1.145 41.915 40.800 -0.050 0.000 1.164 763 D HN 0.384 nan 8.370 nan 0.000 0.462 764 T N -0.634 113.826 114.554 -0.157 0.000 3.130 764 T HA 0.131 4.481 4.350 0.001 0.000 0.288 764 T C 0.681 175.105 174.700 -0.460 0.000 0.936 764 T CA -0.367 61.593 62.100 -0.233 0.000 0.897 764 T CB -1.006 67.762 68.868 -0.166 0.000 1.178 764 T HN 0.401 nan 8.240 nan 0.000 0.543 765 C N 3.404 122.480 119.300 -0.373 0.000 2.494 765 C HA 0.041 4.501 4.460 0.001 0.000 0.399 765 C C 1.792 176.481 174.990 -0.503 0.000 1.388 765 C CA 0.061 58.827 59.018 -0.419 0.000 1.657 765 C CB -0.578 26.989 27.740 -0.288 0.000 2.585 765 C HN 0.533 nan 8.230 nan 0.000 0.601 766 H N 0.143 119.101 119.070 -0.187 0.000 2.592 766 H HA 0.074 4.630 4.556 0.001 0.000 0.265 766 H C 1.125 176.294 175.328 -0.265 0.000 0.955 766 H CA 0.889 56.825 56.048 -0.188 0.000 1.175 766 H CB 0.113 29.786 29.762 -0.148 0.000 1.433 766 H HN 0.783 nan 8.280 nan 0.000 0.537 767 T N -1.866 112.499 114.554 -0.315 0.000 2.885 767 T HA 0.245 4.595 4.350 0.001 0.000 0.285 767 T C -2.137 172.207 174.700 -0.594 0.000 1.019 767 T CA -2.233 59.514 62.100 -0.589 0.000 1.010 767 T CB 2.959 71.110 68.868 -1.195 0.000 1.022 767 T HN -0.261 nan 8.240 nan 0.000 0.466 768 P HA -0.049 nan 4.420 nan 0.000 0.215 768 P C 1.338 178.496 177.300 -0.237 0.000 1.153 768 P CA 1.122 64.049 63.100 -0.289 0.000 0.853 768 P CB -0.237 31.393 31.700 -0.116 0.000 0.788 769 F N -1.546 118.339 119.950 -0.109 0.000 2.325 769 F HA 0.152 4.679 4.527 0.001 0.000 0.299 769 F C 2.252 178.001 175.800 -0.085 0.000 1.090 769 F CA 0.891 58.846 58.000 -0.076 0.000 1.392 769 F CB -2.012 36.965 39.000 -0.038 0.000 1.053 769 F HN -0.182 nan 8.300 nan 0.000 0.521 770 G N 1.031 109.584 108.800 -0.412 0.000 2.408 770 G HA2 -0.176 3.784 3.960 0.001 0.000 0.217 770 G HA3 -0.176 3.784 3.960 0.001 0.000 0.217 770 G C 1.681 176.438 174.900 -0.237 0.000 1.150 770 G CA 0.550 45.469 45.100 -0.301 0.000 0.776 770 G HN 0.318 nan 8.290 nan 0.000 0.542 771 K N 0.136 120.391 120.400 -0.241 0.000 2.026 771 K HA -0.037 4.283 4.320 0.001 0.000 0.208 771 K C 2.714 179.307 176.600 -0.012 0.000 1.048 771 K CA 0.877 57.068 56.287 -0.159 0.000 0.929 771 K CB -0.189 32.141 32.500 -0.284 0.000 0.713 771 K HN 0.159 nan 8.250 nan 0.000 0.439 772 R N 0.621 121.096 120.500 -0.040 0.000 2.105 772 R HA -0.135 4.205 4.340 0.001 0.000 0.239 772 R C 2.333 178.680 176.300 0.078 0.000 1.135 772 R CA 0.995 57.158 56.100 0.105 0.000 0.967 772 R CB -0.365 29.990 30.300 0.092 0.000 0.861 772 R HN 0.107 nan 8.270 nan 0.000 0.442 773 L N 0.804 122.015 121.223 -0.019 0.000 2.217 773 L HA -0.083 4.257 4.340 0.001 0.000 0.211 773 L C 1.965 178.682 176.870 -0.255 0.000 1.107 773 L CA 1.198 55.971 54.840 -0.111 0.000 0.783 773 L CB -0.326 41.610 42.059 -0.204 0.000 0.919 773 L HN 0.092 nan 8.230 nan 0.000 0.442 774 L N -0.229 120.859 121.223 -0.225 0.000 2.083 774 L HA -0.207 4.134 4.340 0.001 0.000 0.209 774 L C 2.517 179.364 176.870 -0.038 0.000 1.083 774 L CA 1.831 56.561 54.840 -0.183 0.000 0.752 774 L CB -0.839 41.136 42.059 -0.140 0.000 0.899 774 L HN 0.335 nan 8.230 nan 0.000 0.433 775 K N -1.218 119.177 120.400 -0.008 0.000 2.026 775 K HA -0.195 4.126 4.320 0.001 0.000 0.208 775 K C 2.036 178.561 176.600 -0.125 0.000 1.048 775 K CA 1.430 57.664 56.287 -0.089 0.000 0.929 775 K CB -0.065 32.352 32.500 -0.137 0.000 0.713 775 K HN 0.396 nan 8.250 nan 0.000 0.439 776 Q N -0.589 119.195 119.800 -0.027 0.000 2.170 776 Q HA -0.178 4.162 4.340 0.001 0.000 0.203 776 Q C 1.827 177.938 176.000 0.186 0.000 0.976 776 Q CA 1.234 57.062 55.803 0.042 0.000 0.858 776 Q CB -0.155 28.682 28.738 0.165 0.000 0.907 776 Q HN 0.458 nan 8.270 nan 0.000 0.433 777 W N 0.483 121.743 121.300 -0.067 0.000 2.453 777 W HA 0.036 4.696 4.660 0.001 0.000 0.289 777 W C 2.036 178.499 176.519 -0.093 0.000 1.215 777 W CA 0.265 57.577 57.345 -0.055 0.000 1.297 777 W CB -0.660 28.780 29.460 -0.032 0.000 1.113 777 W HN 0.080 nan 8.180 nan 0.000 0.551 778 L N -1.162 120.123 121.223 0.103 0.000 2.156 778 L HA -0.181 4.160 4.340 0.001 0.000 0.208 778 L C 2.000 178.806 176.870 -0.106 0.000 1.095 778 L CA 0.855 55.683 54.840 -0.021 0.000 0.770 778 L CB -0.513 41.513 42.059 -0.055 0.000 0.914 778 L HN -0.080 nan 8.230 nan 0.000 0.439 779 C N -0.407 118.782 119.300 -0.185 0.000 2.514 779 C HA 0.250 4.711 4.460 0.001 0.000 0.271 779 C C 1.371 176.255 174.990 -0.176 0.000 1.399 779 C CA 0.096 58.922 59.018 -0.321 0.000 1.765 779 C CB -0.883 26.459 27.740 -0.663 0.000 1.893 779 C HN 0.457 nan 8.230 nan 0.000 0.531 780 A N 1.079 123.842 122.820 -0.095 0.000 3.082 780 A HA 0.581 4.901 4.320 0.001 0.000 0.328 780 A C -2.892 174.638 177.584 -0.089 0.000 1.089 780 A CA -0.778 51.221 52.037 -0.063 0.000 0.802 780 A CB 0.172 19.153 19.000 -0.032 0.000 1.138 780 A HN 0.187 nan 8.150 nan 0.000 0.474 781 P HA 0.336 nan 4.420 nan 0.000 0.272 781 P C -0.038 177.192 177.300 -0.117 0.000 1.223 781 P CA -0.123 62.917 63.100 -0.101 0.000 0.784 781 P CB 0.637 32.289 31.700 -0.080 0.000 0.923 782 L N 1.364 122.511 121.223 -0.127 0.000 2.466 782 L HA 0.294 4.634 4.340 0.001 0.000 0.257 782 L C 1.116 177.946 176.870 -0.066 0.000 1.189 782 L CA -0.138 54.640 54.840 -0.104 0.000 0.813 782 L CB 0.288 42.291 42.059 -0.093 0.000 1.118 782 L HN 0.576 nan 8.230 nan 0.000 0.471 783 C N -2.084 117.192 119.300 -0.041 0.000 3.489 783 C HA 0.296 4.756 4.460 0.001 0.000 0.264 783 C C 0.097 175.101 174.990 0.024 0.000 2.026 783 C CA -0.864 58.141 59.018 -0.021 0.000 1.705 783 C CB -1.114 26.600 27.740 -0.043 0.000 3.389 783 C HN 0.800 nan 8.230 nan 0.000 0.459 784 N N 1.259 119.994 118.700 0.058 0.000 2.419 784 N HA 0.152 4.892 4.740 0.001 0.000 0.277 784 N C 1.218 176.792 175.510 0.108 0.000 1.006 784 N CA -0.141 52.976 53.050 0.111 0.000 0.923 784 N CB 0.651 39.231 38.487 0.155 0.000 1.140 784 N HN 0.702 nan 8.380 nan 0.000 0.488 785 H N 4.171 123.275 119.070 0.058 0.000 2.457 785 H HA -0.171 4.385 4.556 0.001 0.000 0.294 785 H C 1.014 176.379 175.328 0.060 0.000 1.064 785 H CA 1.152 57.225 56.048 0.043 0.000 1.330 785 H CB -0.289 29.496 29.762 0.038 0.000 1.395 785 H HN 0.761 nan 8.280 nan 0.000 0.541 786 Y N 1.931 121.871 120.300 -0.601 0.000 2.163 786 Y HA -0.028 4.522 4.550 0.001 0.000 0.288 786 Y C 2.910 178.692 175.900 -0.197 0.000 1.136 786 Y CA 2.070 59.904 58.100 -0.443 0.000 1.147 786 Y CB -0.569 37.680 38.460 -0.353 0.000 0.987 786 Y HN 0.280 nan 8.280 nan 0.000 0.509 787 A N 0.527 123.341 122.820 -0.010 0.000 1.902 787 A HA -0.152 4.169 4.320 0.001 0.000 0.217 787 A C 2.243 179.744 177.584 -0.138 0.000 1.181 787 A CA 1.953 53.958 52.037 -0.054 0.000 0.623 787 A CB -1.118 17.917 19.000 0.059 0.000 0.818 787 A HN 0.597 nan 8.150 nan 0.000 0.443 788 I N -0.036 120.476 120.570 -0.097 0.000 2.252 788 I HA -0.235 3.936 4.170 0.001 0.000 0.245 788 I C 2.068 178.127 176.117 -0.097 0.000 1.102 788 I CA 1.109 62.359 61.300 -0.082 0.000 1.385 788 I CB -0.442 37.537 38.000 -0.036 0.000 1.064 788 I HN 0.298 nan 8.210 nan 0.000 0.414 789 N N 0.626 119.247 118.700 -0.131 0.000 2.244 789 N HA -0.202 4.538 4.740 0.001 0.000 0.183 789 N C 1.499 176.899 175.510 -0.182 0.000 1.016 789 N CA 1.411 54.382 53.050 -0.132 0.000 0.866 789 N CB -0.362 38.049 38.487 -0.126 0.000 0.980 789 N HN 0.350 nan 8.380 nan 0.000 0.430 790 D N 0.719 120.932 120.400 -0.312 0.000 2.178 790 D HA -0.023 4.617 4.640 0.001 0.000 0.202 790 D C 1.873 178.090 176.300 -0.139 0.000 0.974 790 D CA 0.836 54.654 54.000 -0.303 0.000 0.841 790 D CB 0.223 40.740 40.800 -0.472 0.000 0.953 790 D HN 0.139 nan 8.370 nan 0.000 0.478 791 R N -0.568 119.870 120.500 -0.104 0.000 2.119 791 R HA 0.081 4.422 4.340 0.001 0.000 0.222 791 R C 2.327 178.638 176.300 0.019 0.000 1.088 791 R CA 0.440 56.526 56.100 -0.022 0.000 0.984 791 R CB -0.086 30.198 30.300 -0.028 0.000 0.884 791 R HN 0.283 nan 8.270 nan 0.000 0.447 792 L N 0.590 121.819 121.223 0.009 0.000 2.156 792 L HA -0.154 4.186 4.340 0.001 0.000 0.208 792 L C 1.459 178.365 176.870 0.061 0.000 1.095 792 L CA 0.953 55.837 54.840 0.073 0.000 0.770 792 L CB -0.276 41.813 42.059 0.051 0.000 0.914 792 L HN 0.104 nan 8.230 nan 0.000 0.439 793 D N 0.245 120.643 120.400 -0.003 0.000 2.123 793 D HA -0.112 4.529 4.640 0.001 0.000 0.200 793 D C 2.264 178.547 176.300 -0.028 0.000 0.976 793 D CA 1.367 55.361 54.000 -0.009 0.000 0.831 793 D CB -0.020 40.755 40.800 -0.040 0.000 0.974 793 D HN 0.262 nan 8.370 nan 0.000 0.469 794 A N 0.972 123.765 122.820 -0.045 0.000 1.883 794 A HA -0.159 4.161 4.320 0.001 0.000 0.217 794 A C 2.372 179.894 177.584 -0.103 0.000 1.186 794 A CA 0.962 52.942 52.037 -0.095 0.000 0.624 794 A CB -0.798 18.173 19.000 -0.048 0.000 0.822 794 A HN 0.186 nan 8.150 nan 0.000 0.444 795 I N -0.440 120.112 120.570 -0.030 0.000 2.151 795 I HA -0.307 3.864 4.170 0.001 0.000 0.243 795 I C 2.502 178.576 176.117 -0.071 0.000 1.080 795 I CA 1.955 63.232 61.300 -0.039 0.000 1.339 795 I CB -0.505 37.505 38.000 0.017 0.000 1.039 795 I HN 0.456 nan 8.210 nan 0.000 0.409 796 E N 0.448 120.635 120.200 -0.020 0.000 2.204 796 E HA -0.203 4.147 4.350 0.001 0.000 0.194 796 E C 1.644 178.231 176.600 -0.021 0.000 0.989 796 E CA 0.982 57.377 56.400 -0.008 0.000 0.824 796 E CB -0.031 29.707 29.700 0.063 0.000 0.756 796 E HN 0.460 nan 8.360 nan 0.000 0.477 797 D N 0.669 121.030 120.400 -0.065 0.000 2.117 797 D HA -0.116 4.524 4.640 0.001 0.000 0.198 797 D C 1.988 178.200 176.300 -0.146 0.000 0.982 797 D CA 0.855 54.799 54.000 -0.094 0.000 0.828 797 D CB -0.065 40.537 40.800 -0.329 0.000 0.967 797 D HN 0.175 nan 8.370 nan 0.000 0.464 798 L N -0.167 120.928 121.223 -0.213 0.000 2.109 798 L HA -0.024 4.317 4.340 0.001 0.000 0.207 798 L C 2.527 179.362 176.870 -0.058 0.000 1.086 798 L CA 0.523 55.273 54.840 -0.150 0.000 0.760 798 L CB -0.266 41.700 42.059 -0.155 0.000 0.910 798 L HN -0.017 nan 8.230 nan 0.000 0.437 799 M N -0.166 119.396 119.600 -0.063 0.000 2.159 799 M HA -0.145 4.336 4.480 0.001 0.000 0.263 799 M C 1.929 178.220 176.300 -0.016 0.000 1.063 799 M CA 1.509 56.777 55.300 -0.053 0.000 1.110 799 M CB -0.225 32.321 32.600 -0.089 0.000 1.374 799 M HN 0.275 nan 8.290 nan 0.000 0.411 800 V N -2.945 116.977 119.914 0.013 0.000 3.630 800 V HA 0.111 4.231 4.120 0.001 0.000 0.273 800 V C 0.759 176.887 176.094 0.056 0.000 1.248 800 V CA 0.136 62.457 62.300 0.036 0.000 1.170 800 V CB -0.210 31.645 31.823 0.053 0.000 0.899 800 V HN 0.226 nan 8.190 nan 0.000 0.457 801 V N 2.957 122.907 119.914 0.061 0.000 2.468 801 V HA 0.458 4.578 4.120 0.001 0.000 0.256 801 V C -1.084 175.035 176.094 0.042 0.000 0.998 801 V CA -1.002 61.343 62.300 0.076 0.000 1.114 801 V CB 1.506 33.428 31.823 0.164 0.000 1.378 801 V HN 0.339 nan 8.190 nan 0.000 0.573 802 P HA -0.059 nan 4.420 nan 0.000 0.219 802 P C 0.883 178.186 177.300 0.004 0.000 1.150 802 P CA 1.109 64.212 63.100 0.005 0.000 0.814 802 P CB 0.541 32.240 31.700 -0.002 0.000 0.787 803 D N 0.037 120.441 120.400 0.007 0.000 2.117 803 D HA -0.130 4.510 4.640 0.001 0.000 0.197 803 D C 2.013 178.314 176.300 0.002 0.000 0.987 803 D CA 1.111 55.112 54.000 0.001 0.000 0.829 803 D CB -0.254 40.546 40.800 0.000 0.000 0.961 803 D HN 0.101 nan 8.370 nan 0.000 0.460 804 K N 0.530 120.939 120.400 0.015 0.000 2.001 804 K HA -0.006 4.315 4.320 0.001 0.000 0.208 804 K C 2.401 179.006 176.600 0.009 0.000 1.048 804 K CA 0.330 56.629 56.287 0.019 0.000 0.932 804 K CB -0.691 31.838 32.500 0.049 0.000 0.715 804 K HN 0.251 nan 8.250 nan 0.000 0.437 805 I N 1.961 122.539 120.570 0.013 0.000 2.113 805 I HA -0.400 3.770 4.170 0.001 0.000 0.242 805 I C 2.627 178.728 176.117 -0.027 0.000 1.057 805 I CA 2.005 63.302 61.300 -0.004 0.000 1.314 805 I CB -0.763 37.234 38.000 -0.004 0.000 1.022 805 I HN 0.214 nan 8.210 nan 0.000 0.408 806 S N 1.345 117.028 115.700 -0.027 0.000 2.365 806 S HA -0.290 4.181 4.470 0.001 0.000 0.225 806 S C 1.791 176.357 174.600 -0.057 0.000 1.039 806 S CA 1.779 59.953 58.200 -0.043 0.000 1.033 806 S CB -0.861 62.320 63.200 -0.031 0.000 0.887 806 S HN 0.755 nan 8.310 nan 0.000 0.447 807 E N 0.719 120.894 120.200 -0.042 0.000 2.285 807 E HA 0.025 4.376 4.350 0.001 0.000 0.194 807 E C 1.853 178.420 176.600 -0.055 0.000 0.997 807 E CA 0.839 57.212 56.400 -0.046 0.000 0.845 807 E CB -0.403 29.277 29.700 -0.032 0.000 0.782 807 E HN 0.455 nan 8.360 nan 0.000 0.491 808 V N 1.259 121.142 119.914 -0.051 0.000 2.379 808 V HA -0.197 3.924 4.120 0.001 0.000 0.245 808 V C 2.407 178.443 176.094 -0.097 0.000 1.044 808 V CA 1.162 63.430 62.300 -0.054 0.000 1.036 808 V CB -0.011 31.795 31.823 -0.029 0.000 0.664 808 V HN 0.193 nan 8.190 nan 0.000 0.453 809 V N 0.014 119.846 119.914 -0.137 0.000 2.287 809 V HA -0.250 3.870 4.120 0.001 0.000 0.248 809 V C 2.654 178.560 176.094 -0.313 0.000 1.053 809 V CA 1.987 64.111 62.300 -0.293 0.000 1.027 809 V CB -0.621 31.015 31.823 -0.312 0.000 0.646 809 V HN 0.557 nan 8.190 nan 0.000 0.447 810 E N -0.070 120.014 120.200 -0.194 0.000 2.118 810 E HA -0.189 4.162 4.350 0.001 0.000 0.195 810 E C 2.187 178.715 176.600 -0.121 0.000 0.992 810 E CA 1.221 57.532 56.400 -0.148 0.000 0.804 810 E CB -0.361 29.280 29.700 -0.097 0.000 0.741 810 E HN 0.536 nan 8.360 nan 0.000 0.458 811 L N 0.223 121.387 121.223 -0.099 0.000 2.056 811 L HA -0.135 4.205 4.340 0.001 0.000 0.207 811 L C 2.617 179.444 176.870 -0.072 0.000 1.078 811 L CA 0.686 55.485 54.840 -0.069 0.000 0.749 811 L CB -0.453 41.578 42.059 -0.046 0.000 0.901 811 L HN 0.100 nan 8.230 nan 0.000 0.433 812 L N -0.124 121.042 121.223 -0.096 0.000 2.079 812 L HA -0.247 4.094 4.340 0.001 0.000 0.210 812 L C 2.355 179.171 176.870 -0.090 0.000 1.081 812 L CA 1.411 56.202 54.840 -0.083 0.000 0.752 812 L CB -0.473 41.534 42.059 -0.086 0.000 0.896 812 L HN 0.224 nan 8.230 nan 0.000 0.433 813 K N 0.051 120.372 120.400 -0.132 0.000 2.574 813 K HA -0.118 4.202 4.320 0.001 0.000 0.193 813 K C 1.373 177.931 176.600 -0.070 0.000 1.035 813 K CA 0.730 56.959 56.287 -0.096 0.000 0.982 813 K CB 0.044 32.470 32.500 -0.123 0.000 0.795 813 K HN 0.300 nan 8.250 nan 0.000 0.491 814 K N 0.454 120.816 120.400 -0.064 0.000 2.372 814 K HA 0.175 4.496 4.320 0.001 0.000 0.200 814 K C -0.200 176.373 176.600 -0.045 0.000 1.022 814 K CA -0.050 56.206 56.287 -0.051 0.000 1.125 814 K CB 0.450 32.923 32.500 -0.045 0.000 0.855 814 K HN 0.029 nan 8.250 nan 0.000 0.524 815 L N 3.247 124.446 121.223 -0.040 0.000 2.289 815 L HA 0.321 4.661 4.340 0.001 0.000 0.285 815 L C -1.833 175.030 176.870 -0.012 0.000 1.049 815 L CA -1.981 52.849 54.840 -0.016 0.000 0.804 815 L CB 0.555 42.643 42.059 0.049 0.000 1.195 815 L HN -0.039 nan 8.230 nan 0.000 0.428 816 P HA 0.063 nan 4.420 nan 0.000 0.302 816 P C -0.861 176.477 177.300 0.063 0.000 1.307 816 P CA -0.456 62.631 63.100 -0.021 0.000 0.754 816 P CB 0.719 32.381 31.700 -0.064 0.000 1.298 817 D N -0.119 120.302 120.400 0.036 0.000 2.619 817 D HA 0.094 4.735 4.640 0.001 0.000 0.224 817 D C 1.374 177.681 176.300 0.012 0.000 1.133 817 D CA -0.055 54.014 54.000 0.116 0.000 1.017 817 D CB -0.825 39.996 40.800 0.035 0.000 1.077 817 D HN 0.171 nan 8.370 nan 0.000 0.503 818 L N 1.282 122.459 121.223 -0.078 0.000 2.081 818 L HA -0.194 4.146 4.340 0.001 0.000 0.212 818 L C 2.293 179.041 176.870 -0.204 0.000 1.080 818 L CA 1.232 55.910 54.840 -0.268 0.000 0.754 818 L CB -0.167 41.559 42.059 -0.556 0.000 0.893 818 L HN 0.396 nan 8.230 nan 0.000 0.433 819 E N 0.072 120.120 120.200 -0.254 0.000 2.077 819 E HA -0.231 4.120 4.350 0.001 0.000 0.193 819 E C 2.354 178.941 176.600 -0.022 0.000 0.989 819 E CA 1.103 57.428 56.400 -0.125 0.000 0.800 819 E CB 0.123 29.761 29.700 -0.104 0.000 0.746 819 E HN 0.392 nan 8.360 nan 0.000 0.452 820 R N -0.123 120.371 120.500 -0.011 0.000 2.119 820 R HA 0.011 4.351 4.340 0.001 0.000 0.222 820 R C 2.543 178.848 176.300 0.008 0.000 1.088 820 R CA 0.532 56.639 56.100 0.012 0.000 0.984 820 R CB -0.097 30.207 30.300 0.007 0.000 0.884 820 R HN 0.237 nan 8.270 nan 0.000 0.447 821 L N 0.729 121.937 121.223 -0.024 0.000 2.042 821 L HA -0.224 4.117 4.340 0.001 0.000 0.210 821 L C 2.235 179.108 176.870 0.005 0.000 1.076 821 L CA 1.334 56.149 54.840 -0.043 0.000 0.749 821 L CB -0.353 41.646 42.059 -0.099 0.000 0.893 821 L HN 0.230 nan 8.230 nan 0.000 0.432 822 L N -1.258 120.005 121.223 0.067 0.000 2.042 822 L HA -0.253 4.088 4.340 0.001 0.000 0.210 822 L C 2.675 179.642 176.870 0.162 0.000 1.076 822 L CA 1.252 56.194 54.840 0.171 0.000 0.749 822 L CB -0.553 41.630 42.059 0.206 0.000 0.893 822 L HN 0.188 nan 8.230 nan 0.000 0.432 823 S N -0.486 115.276 115.700 0.103 0.000 2.368 823 S HA -0.165 4.305 4.470 0.001 0.000 0.225 823 S C 1.959 176.638 174.600 0.132 0.000 1.030 823 S CA 1.191 59.454 58.200 0.106 0.000 0.999 823 S CB -0.076 63.161 63.200 0.062 0.000 0.844 823 S HN 0.343 nan 8.310 nan 0.000 0.459 824 K N 0.716 121.161 120.400 0.074 0.000 2.057 824 K HA -0.005 4.315 4.320 0.001 0.000 0.207 824 K C 1.954 178.559 176.600 0.008 0.000 1.049 824 K CA 1.225 57.533 56.287 0.035 0.000 0.931 824 K CB -0.313 32.183 32.500 -0.006 0.000 0.714 824 K HN 0.348 nan 8.250 nan 0.000 0.440 825 I N -0.046 120.519 120.570 -0.008 0.000 2.252 825 I HA -0.267 3.904 4.170 0.001 0.000 0.245 825 I C 2.508 178.705 176.117 0.133 0.000 1.102 825 I CA 1.307 62.568 61.300 -0.064 0.000 1.385 825 I CB -0.393 37.543 38.000 -0.105 0.000 1.064 825 I HN 0.247 nan 8.210 nan 0.000 0.414 826 H N 1.678 120.828 119.070 0.134 0.000 2.352 826 H HA -0.187 4.369 4.556 0.001 0.000 0.299 826 H C 2.048 177.463 175.328 0.145 0.000 1.097 826 H CA 2.192 58.342 56.048 0.171 0.000 1.311 826 H CB -0.006 29.840 29.762 0.141 0.000 1.377 826 H HN 0.214 nan 8.280 nan 0.000 0.504 827 N N -0.061 118.710 118.700 0.118 0.000 2.120 827 N HA -0.128 4.613 4.740 0.001 0.000 0.188 827 N C 2.081 177.582 175.510 -0.014 0.000 1.024 827 N CA 1.447 54.519 53.050 0.036 0.000 0.852 827 N CB -0.481 38.050 38.487 0.074 0.000 1.003 827 N HN 0.266 nan 8.380 nan 0.000 0.424 828 V N 0.067 120.001 119.914 0.034 0.000 2.515 828 V HA -0.059 4.061 4.120 0.001 0.000 0.250 828 V C 2.062 178.226 176.094 0.116 0.000 1.058 828 V CA 1.822 64.169 62.300 0.079 0.000 1.064 828 V CB -0.863 31.052 31.823 0.153 0.000 0.675 828 V HN 0.373 nan 8.190 nan 0.000 0.461 829 G N -1.090 107.799 108.800 0.149 0.000 3.042 829 G HA2 -0.036 3.925 3.960 0.001 0.000 0.212 829 G HA3 -0.036 3.925 3.960 0.001 0.000 0.212 829 G C 0.741 175.689 174.900 0.080 0.000 1.166 829 G CA 0.432 45.638 45.100 0.177 0.000 0.767 829 G HN 0.388 nan 8.290 nan 0.000 0.546 830 S N 1.499 117.175 115.700 -0.040 0.000 2.629 830 S HA 0.159 4.629 4.470 0.001 0.000 0.302 830 S C -0.741 173.799 174.600 -0.100 0.000 1.244 830 S CA -0.838 57.302 58.200 -0.101 0.000 1.098 830 S CB 1.303 64.422 63.200 -0.135 0.000 0.858 830 S HN 0.078 nan 8.310 nan 0.000 0.502 831 P HA -0.015 nan 4.420 nan 0.000 0.217 831 P C 1.620 178.864 177.300 -0.095 0.000 1.154 831 P CA 0.125 63.112 63.100 -0.187 0.000 0.841 831 P CB 0.011 31.512 31.700 -0.333 0.000 0.788 832 L N 0.564 121.757 121.223 -0.050 0.000 2.013 832 L HA -0.181 4.159 4.340 0.001 0.000 0.212 832 L C 2.325 179.197 176.870 0.004 0.000 1.073 832 L CA 2.081 56.914 54.840 -0.011 0.000 0.753 832 L CB -1.105 40.976 42.059 0.036 0.000 0.890 832 L HN -0.169 nan 8.230 nan 0.000 0.432 833 K N -0.901 119.502 120.400 0.005 0.000 2.025 833 K HA -0.147 4.174 4.320 0.001 0.000 0.207 833 K C 2.184 178.787 176.600 0.005 0.000 1.049 833 K CA 1.447 57.744 56.287 0.016 0.000 0.933 833 K CB -0.233 32.231 32.500 -0.060 0.000 0.714 833 K HN 0.574 nan 8.250 nan 0.000 0.438 834 S N 0.600 116.277 115.700 -0.038 0.000 2.440 834 S HA -0.237 4.234 4.470 0.001 0.000 0.240 834 S C 1.861 176.450 174.600 -0.019 0.000 1.014 834 S CA 1.218 59.394 58.200 -0.039 0.000 0.980 834 S CB -0.366 62.796 63.200 -0.064 0.000 0.775 834 S HN 0.407 nan 8.310 nan 0.000 0.499 835 Q N 2.161 121.952 119.800 -0.016 0.000 1.967 835 Q HA -0.086 4.255 4.340 0.001 0.000 0.202 835 Q C 1.102 177.102 176.000 -0.001 0.000 0.985 835 Q CA 1.553 57.348 55.803 -0.015 0.000 0.839 835 Q CB -0.207 28.518 28.738 -0.023 0.000 0.906 835 Q HN 0.909 nan 8.270 nan 0.000 0.423 836 N N -1.599 117.112 118.700 0.018 0.000 2.232 836 N HA -0.021 4.719 4.740 0.001 0.000 0.240 836 N C -0.708 174.818 175.510 0.026 0.000 1.307 836 N CA -0.189 52.868 53.050 0.011 0.000 0.859 836 N CB -0.066 38.413 38.487 -0.014 0.000 1.260 836 N HN 0.128 nan 8.380 nan 0.000 0.501 837 H N 2.016 121.068 119.070 -0.031 0.000 2.732 837 H HA 0.196 4.752 4.556 0.001 0.000 0.351 837 H C -1.613 173.695 175.328 -0.033 0.000 1.090 837 H CA -0.826 55.205 56.048 -0.029 0.000 1.431 837 H CB 1.826 31.572 29.762 -0.027 0.000 1.447 837 H HN -0.099 nan 8.280 nan 0.000 0.582 838 P HA -0.104 nan 4.420 nan 0.000 0.222 838 P C 0.881 178.234 177.300 0.088 0.000 1.147 838 P CA 0.978 64.062 63.100 -0.026 0.000 0.790 838 P CB 0.323 31.957 31.700 -0.110 0.000 0.780 839 D N -1.140 119.444 120.400 0.306 0.000 2.347 839 D HA -0.059 4.582 4.640 0.001 0.000 0.215 839 D C 1.533 177.861 176.300 0.047 0.000 0.976 839 D CA 0.750 54.841 54.000 0.151 0.000 0.884 839 D CB -0.229 40.639 40.800 0.112 0.000 0.915 839 D HN 0.111 nan 8.370 nan 0.000 0.526 840 S N -1.101 114.640 115.700 0.067 0.000 2.575 840 S HA 0.137 4.607 4.470 0.001 0.000 0.215 840 S C 1.382 175.977 174.600 -0.008 0.000 0.966 840 S CA -0.290 57.915 58.200 0.008 0.000 0.911 840 S CB 0.152 63.361 63.200 0.015 0.000 0.780 840 S HN 0.161 nan 8.310 nan 0.000 0.514 841 R N 0.431 120.928 120.500 -0.006 0.000 2.487 841 R HA 0.439 4.779 4.340 0.001 0.000 0.272 841 R C 0.423 176.700 176.300 -0.039 0.000 0.928 841 R CA 0.286 56.372 56.100 -0.024 0.000 1.077 841 R CB 0.376 30.664 30.300 -0.019 0.000 1.265 841 R HN 0.360 nan 8.270 nan 0.000 0.537 842 A N 2.438 125.237 122.820 -0.036 0.000 2.548 842 A HA 0.145 4.465 4.320 0.001 0.000 0.247 842 A C 0.232 177.761 177.584 -0.092 0.000 1.067 842 A CA 0.142 52.147 52.037 -0.054 0.000 0.757 842 A CB 0.010 18.983 19.000 -0.044 0.000 0.996 842 A HN 0.099 nan 8.150 nan 0.000 0.504 843 I N 4.909 125.401 120.570 -0.130 0.000 2.281 843 I HA 0.141 4.311 4.170 0.001 0.000 0.293 843 I C 0.005 175.909 176.117 -0.356 0.000 1.085 843 I CA 0.015 61.173 61.300 -0.237 0.000 1.257 843 I CB 0.016 37.864 38.000 -0.254 0.000 1.430 843 I HN 0.522 nan 8.210 nan 0.000 0.489 844 M N 5.978 125.408 119.600 -0.283 0.000 2.367 844 M HA 0.254 4.734 4.480 0.001 0.000 0.339 844 M C 0.229 176.336 176.300 -0.321 0.000 1.177 844 M CA -0.358 54.835 55.300 -0.178 0.000 1.068 844 M CB 0.831 33.474 32.600 0.072 0.000 1.602 844 M HN 0.346 nan 8.290 nan 0.000 0.457 845 Y N -0.660 119.651 120.300 0.019 0.000 2.467 845 Y HA 0.179 4.729 4.550 0.001 0.000 0.250 845 Y C 0.829 176.685 175.900 -0.074 0.000 1.155 845 Y CA 0.058 58.135 58.100 -0.040 0.000 1.249 845 Y CB 0.641 39.051 38.460 -0.083 0.000 1.146 845 Y HN 0.537 nan 8.280 nan 0.000 0.524 846 E N 0.041 120.252 120.200 0.018 0.000 2.995 846 E HA 0.077 4.428 4.350 0.001 0.000 0.203 846 E C 0.765 177.048 176.600 -0.528 0.000 0.980 846 E CA 0.086 56.317 56.400 -0.282 0.000 1.172 846 E CB 0.433 29.876 29.700 -0.429 0.000 1.088 846 E HN 0.379 nan 8.360 nan 0.000 0.463 847 E N 0.491 120.609 120.200 -0.137 0.000 2.209 847 E HA -0.124 4.226 4.350 0.001 0.000 0.196 847 E C 1.349 177.899 176.600 -0.083 0.000 0.993 847 E CA 1.152 57.555 56.400 0.005 0.000 0.819 847 E CB 0.049 29.774 29.700 0.042 0.000 0.745 847 E HN 0.203 nan 8.360 nan 0.000 0.477 848 T N 0.459 114.932 114.554 -0.135 0.000 2.708 848 T HA -0.123 4.228 4.350 0.001 0.000 0.266 848 T C 1.948 176.568 174.700 -0.134 0.000 1.037 848 T CA 1.879 63.914 62.100 -0.109 0.000 1.146 848 T CB -0.395 68.413 68.868 -0.100 0.000 0.865 848 T HN 0.201 nan 8.240 nan 0.000 0.435 849 T N 1.142 115.545 114.554 -0.251 0.000 2.708 849 T HA -0.083 4.267 4.350 0.001 0.000 0.266 849 T C 1.700 176.320 174.700 -0.134 0.000 1.037 849 T CA 1.328 63.286 62.100 -0.236 0.000 1.146 849 T CB -0.616 68.044 68.868 -0.347 0.000 0.865 849 T HN 0.565 nan 8.240 nan 0.000 0.435 850 Y N 1.393 121.700 120.300 0.010 0.000 2.181 850 Y HA -0.131 4.419 4.550 0.001 0.000 0.288 850 Y C 3.115 179.020 175.900 0.008 0.000 1.146 850 Y CA 0.541 58.648 58.100 0.013 0.000 1.164 850 Y CB -0.500 37.966 38.460 0.011 0.000 0.982 850 Y HN 0.121 nan 8.280 nan 0.000 0.515 851 S N 0.126 115.892 115.700 0.110 0.000 2.370 851 S HA -0.180 4.290 4.470 0.001 0.000 0.226 851 S C 1.999 176.625 174.600 0.044 0.000 1.033 851 S CA 1.294 59.527 58.200 0.055 0.000 1.011 851 S CB -0.165 63.035 63.200 -0.000 0.000 0.852 851 S HN 0.333 nan 8.310 nan 0.000 0.457 852 K N 1.577 121.991 120.400 0.022 0.000 2.026 852 K HA 0.020 4.340 4.320 0.001 0.000 0.208 852 K C 2.009 178.630 176.600 0.036 0.000 1.048 852 K CA 0.881 57.178 56.287 0.018 0.000 0.929 852 K CB -0.498 32.001 32.500 -0.002 0.000 0.713 852 K HN 0.255 nan 8.250 nan 0.000 0.439 853 K N 1.600 122.032 120.400 0.053 0.000 2.020 853 K HA -0.161 4.159 4.320 0.001 0.000 0.212 853 K C 2.122 178.745 176.600 0.038 0.000 1.050 853 K CA 1.495 57.816 56.287 0.056 0.000 0.929 853 K CB -0.257 32.304 32.500 0.102 0.000 0.714 853 K HN 0.248 nan 8.250 nan 0.000 0.443 854 K N 0.483 120.921 120.400 0.063 0.000 2.026 854 K HA -0.048 4.272 4.320 0.001 0.000 0.208 854 K C 2.343 178.969 176.600 0.043 0.000 1.048 854 K CA 1.145 57.456 56.287 0.040 0.000 0.929 854 K CB -0.199 32.404 32.500 0.173 0.000 0.713 854 K HN 0.092 nan 8.250 nan 0.000 0.439 855 I N 1.075 121.709 120.570 0.107 0.000 2.226 855 I HA -0.282 3.888 4.170 0.001 0.000 0.245 855 I C 2.270 178.439 176.117 0.087 0.000 1.100 855 I CA 1.241 62.613 61.300 0.121 0.000 1.374 855 I CB -0.255 37.782 38.000 0.062 0.000 1.057 855 I HN 0.131 nan 8.210 nan 0.000 0.413 856 I N 0.637 121.230 120.570 0.039 0.000 2.163 856 I HA -0.331 3.839 4.170 0.001 0.000 0.243 856 I C 2.110 178.213 176.117 -0.023 0.000 1.085 856 I CA 1.434 62.742 61.300 0.013 0.000 1.347 856 I CB -0.486 37.517 38.000 0.004 0.000 1.044 856 I HN 0.233 nan 8.210 nan 0.000 0.408 857 D N 0.487 120.857 120.400 -0.050 0.000 2.123 857 D HA -0.223 4.418 4.640 0.001 0.000 0.196 857 D C 1.919 178.117 176.300 -0.171 0.000 0.992 857 D CA 1.342 55.274 54.000 -0.114 0.000 0.833 857 D CB -0.362 40.351 40.800 -0.145 0.000 0.954 857 D HN 0.222 nan 8.370 nan 0.000 0.455 858 F N 1.266 120.991 119.950 -0.375 0.000 2.075 858 F HA -0.101 4.427 4.527 0.001 0.000 0.297 858 F C 2.196 177.803 175.800 -0.322 0.000 1.113 858 F CA 1.138 58.840 58.000 -0.497 0.000 1.218 858 F CB -0.433 38.310 39.000 -0.429 0.000 0.984 858 F HN -0.107 nan 8.300 nan 0.000 0.472 859 L N -0.823 120.333 121.223 -0.112 0.000 2.191 859 L HA -0.206 4.135 4.340 0.001 0.000 0.212 859 L C 2.665 179.454 176.870 -0.134 0.000 1.103 859 L CA 1.381 56.160 54.840 -0.102 0.000 0.769 859 L CB -0.983 41.107 42.059 0.052 0.000 0.908 859 L HN 0.251 nan 8.230 nan 0.000 0.438 860 S N -0.027 115.587 115.700 -0.143 0.000 2.368 860 S HA -0.122 4.348 4.470 0.001 0.000 0.224 860 S C 2.146 176.629 174.600 -0.194 0.000 1.029 860 S CA 1.133 59.252 58.200 -0.135 0.000 0.988 860 S CB 0.022 63.152 63.200 -0.116 0.000 0.838 860 S HN 0.426 nan 8.310 nan 0.000 0.462 861 A N 1.397 124.041 122.820 -0.293 0.000 1.898 861 A HA 0.136 4.456 4.320 0.001 0.000 0.216 861 A C 2.212 179.673 177.584 -0.205 0.000 1.181 861 A CA 1.237 53.089 52.037 -0.309 0.000 0.620 861 A CB -0.779 17.955 19.000 -0.444 0.000 0.819 861 A HN 0.566 nan 8.150 nan 0.000 0.442 862 L N -0.867 120.153 121.223 -0.339 0.000 2.083 862 L HA -0.190 4.151 4.340 0.001 0.000 0.209 862 L C 2.642 179.506 176.870 -0.010 0.000 1.083 862 L CA 1.754 56.490 54.840 -0.174 0.000 0.752 862 L CB -0.368 41.534 42.059 -0.262 0.000 0.899 862 L HN 0.481 nan 8.230 nan 0.000 0.433 863 E N 0.391 120.559 120.200 -0.053 0.000 2.107 863 E HA -0.121 4.229 4.350 0.001 0.000 0.191 863 E C 2.100 178.684 176.600 -0.027 0.000 0.982 863 E CA 1.229 57.617 56.400 -0.020 0.000 0.809 863 E CB -0.288 29.394 29.700 -0.030 0.000 0.756 863 E HN 0.314 nan 8.360 nan 0.000 0.459 864 G N -0.250 108.488 108.800 -0.103 0.000 2.459 864 G HA2 -0.272 3.688 3.960 0.001 0.000 0.217 864 G HA3 -0.272 3.688 3.960 0.001 0.000 0.217 864 G C 1.267 176.069 174.900 -0.163 0.000 1.183 864 G CA 0.954 45.940 45.100 -0.189 0.000 0.776 864 G HN 0.323 nan 8.290 nan 0.000 0.552 865 F N 1.041 120.993 119.950 0.002 0.000 2.293 865 F HA 0.129 4.656 4.527 0.001 0.000 0.300 865 F C 2.656 178.536 175.800 0.132 0.000 1.086 865 F CA 1.092 59.150 58.000 0.097 0.000 1.375 865 F CB 0.027 39.090 39.000 0.106 0.000 1.045 865 F HN 0.068 nan 8.300 nan 0.000 0.516 866 K N -0.080 120.457 120.400 0.229 0.000 2.103 866 K HA -0.079 4.241 4.320 0.001 0.000 0.204 866 K C 2.068 178.734 176.600 0.111 0.000 1.052 866 K CA 1.176 57.558 56.287 0.159 0.000 0.945 866 K CB -0.403 32.153 32.500 0.094 0.000 0.722 866 K HN 0.090 nan 8.250 nan 0.000 0.443 867 V N 1.676 121.634 119.914 0.072 0.000 2.427 867 V HA -0.248 3.872 4.120 0.001 0.000 0.248 867 V C 2.230 178.360 176.094 0.060 0.000 1.051 867 V CA 1.589 63.913 62.300 0.040 0.000 1.048 867 V CB -0.380 31.447 31.823 0.006 0.000 0.666 867 V HN 0.352 nan 8.190 nan 0.000 0.456 868 M N -0.998 118.669 119.600 0.112 0.000 2.117 868 M HA -0.228 4.253 4.480 0.001 0.000 0.262 868 M C 2.382 178.753 176.300 0.118 0.000 1.065 868 M CA 1.817 57.215 55.300 0.164 0.000 1.114 868 M CB -0.763 32.035 32.600 0.329 0.000 1.361 868 M HN 0.423 nan 8.290 nan 0.000 0.408 869 C N 0.132 119.539 119.300 0.178 0.000 2.422 869 C HA -0.130 4.331 4.460 0.001 0.000 0.279 869 C C 2.688 177.689 174.990 0.018 0.000 1.305 869 C CA 0.850 59.938 59.018 0.117 0.000 1.757 869 C CB -0.940 26.907 27.740 0.177 0.000 1.962 869 C HN 0.511 nan 8.230 nan 0.000 0.499 870 K N 0.665 121.080 120.400 0.025 0.000 2.155 870 K HA -0.029 4.291 4.320 0.001 0.000 0.203 870 K C 1.753 178.336 176.600 -0.028 0.000 1.052 870 K CA 1.051 57.338 56.287 -0.001 0.000 0.948 870 K CB -0.122 32.382 32.500 0.006 0.000 0.728 870 K HN 0.472 nan 8.250 nan 0.000 0.448 871 I N 1.182 121.728 120.570 -0.040 0.000 2.163 871 I HA -0.292 3.878 4.170 0.001 0.000 0.240 871 I C 2.043 178.099 176.117 -0.101 0.000 1.081 871 I CA 0.809 62.074 61.300 -0.059 0.000 1.353 871 I CB -0.240 37.731 38.000 -0.049 0.000 1.054 871 I HN 0.142 nan 8.210 nan 0.000 0.407 872 I N 1.107 121.557 120.570 -0.199 0.000 2.264 872 I HA -0.211 3.960 4.170 0.001 0.000 0.248 872 I C 2.659 178.698 176.117 -0.130 0.000 1.111 872 I CA 1.812 62.954 61.300 -0.262 0.000 1.382 872 I CB -2.010 35.662 38.000 -0.548 0.000 1.060 872 I HN 0.275 nan 8.210 nan 0.000 0.418 873 G N 0.843 109.591 108.800 -0.086 0.000 2.402 873 G HA2 -0.169 3.791 3.960 0.001 0.000 0.216 873 G HA3 -0.169 3.791 3.960 0.001 0.000 0.216 873 G C 1.837 176.714 174.900 -0.039 0.000 1.162 873 G CA 0.270 45.342 45.100 -0.046 0.000 0.777 873 G HN 0.332 nan 8.290 nan 0.000 0.539 874 I N 0.449 120.997 120.570 -0.037 0.000 2.394 874 I HA -0.082 4.089 4.170 0.001 0.000 0.251 874 I C 2.577 178.682 176.117 -0.021 0.000 1.136 874 I CA 0.912 62.197 61.300 -0.026 0.000 1.425 874 I CB -0.011 37.977 38.000 -0.022 0.000 1.079 874 I HN 0.198 nan 8.210 nan 0.000 0.425 875 M N -0.666 118.922 119.600 -0.021 0.000 2.509 875 M HA -0.057 4.424 4.480 0.001 0.000 0.250 875 M C 1.944 178.223 176.300 -0.035 0.000 1.132 875 M CA 0.541 55.843 55.300 0.005 0.000 1.080 875 M CB -0.230 32.405 32.600 0.058 0.000 1.408 875 M HN 0.195 nan 8.290 nan 0.000 0.484 876 E N 1.663 121.834 120.200 -0.048 0.000 2.118 876 E HA -0.270 4.081 4.350 0.001 0.000 0.195 876 E C 1.773 178.322 176.600 -0.085 0.000 0.992 876 E CA 1.492 57.857 56.400 -0.058 0.000 0.804 876 E CB 0.094 29.768 29.700 -0.043 0.000 0.741 876 E HN 0.548 nan 8.360 nan 0.000 0.458 877 E N -0.293 119.860 120.200 -0.078 0.000 2.085 877 E HA -0.165 4.185 4.350 0.001 0.000 0.194 877 E C 1.806 178.318 176.600 -0.146 0.000 0.994 877 E CA 1.274 57.621 56.400 -0.088 0.000 0.801 877 E CB 0.168 29.832 29.700 -0.060 0.000 0.743 877 E HN 0.208 nan 8.360 nan 0.000 0.453 878 V N -0.173 119.620 119.914 -0.202 0.000 3.621 878 V HA 0.245 4.365 4.120 0.001 0.000 0.285 878 V C 1.573 177.155 176.094 -0.854 0.000 1.346 878 V CA 0.901 62.973 62.300 -0.380 0.000 1.104 878 V CB 0.341 32.025 31.823 -0.230 0.000 0.913 878 V HN 0.401 nan 8.190 nan 0.000 0.432 879 A N 0.189 122.673 122.820 -0.559 0.000 1.865 879 A HA -0.218 4.103 4.320 0.001 0.000 0.217 879 A C 1.762 179.080 177.584 -0.444 0.000 1.191 879 A CA 2.233 53.960 52.037 -0.517 0.000 0.623 879 A CB -0.605 18.313 19.000 -0.136 0.000 0.826 879 A HN 0.556 nan 8.150 nan 0.000 0.444 880 D N -0.478 119.759 120.400 -0.272 0.000 2.350 880 D HA 0.009 4.650 4.640 0.001 0.000 0.216 880 D C 1.726 177.931 176.300 -0.158 0.000 0.968 880 D CA 1.066 54.974 54.000 -0.153 0.000 0.894 880 D CB -0.393 40.350 40.800 -0.095 0.000 0.909 880 D HN 0.473 nan 8.370 nan 0.000 0.520 881 G N -0.683 107.938 108.800 -0.299 0.000 2.777 881 G HA2 -0.012 3.949 3.960 0.001 0.000 0.211 881 G HA3 -0.012 3.949 3.960 0.001 0.000 0.211 881 G C 0.267 175.143 174.900 -0.040 0.000 1.149 881 G CA -0.276 44.713 45.100 -0.186 0.000 0.785 881 G HN 0.023 nan 8.290 nan 0.000 0.536 882 F N 0.442 120.399 119.950 0.011 0.000 2.410 882 F HA 0.432 4.959 4.527 0.001 0.000 0.334 882 F C 1.397 177.207 175.800 0.016 0.000 1.134 882 F CA -0.928 57.080 58.000 0.014 0.000 1.227 882 F CB 1.436 40.446 39.000 0.016 0.000 1.194 882 F HN -0.130 nan 8.300 nan 0.000 0.571 883 K N 0.178 120.712 120.400 0.223 0.000 2.313 883 K HA 0.066 4.387 4.320 0.001 0.000 0.197 883 K C 0.640 177.289 176.600 0.082 0.000 1.061 883 K CA 0.367 56.724 56.287 0.118 0.000 0.980 883 K CB 0.166 32.715 32.500 0.082 0.000 0.888 883 K HN 0.664 nan 8.250 nan 0.000 0.502 884 S N 0.971 116.709 115.700 0.062 0.000 2.593 884 S HA 0.088 4.559 4.470 0.001 0.000 0.269 884 S C 0.866 175.497 174.600 0.050 0.000 1.334 884 S CA -0.423 57.785 58.200 0.012 0.000 1.015 884 S CB 1.805 64.987 63.200 -0.029 0.000 0.912 884 S HN 0.143 nan 8.310 nan 0.000 0.541 885 K N 0.207 120.628 120.400 0.035 0.000 2.099 885 K HA 0.037 4.358 4.320 0.001 0.000 0.203 885 K C 1.952 178.601 176.600 0.080 0.000 1.047 885 K CA 0.576 56.911 56.287 0.080 0.000 0.963 885 K CB -0.340 32.237 32.500 0.128 0.000 0.759 885 K HN 0.603 nan 8.250 nan 0.000 0.451 886 I N 1.808 122.415 120.570 0.061 0.000 2.151 886 I HA -0.262 3.908 4.170 0.001 0.000 0.243 886 I C 1.922 178.095 176.117 0.092 0.000 1.080 886 I CA 1.180 62.530 61.300 0.082 0.000 1.339 886 I CB -0.376 37.674 38.000 0.083 0.000 1.039 886 I HN 0.249 nan 8.210 nan 0.000 0.409 887 L N 0.578 121.837 121.223 0.059 0.000 2.042 887 L HA -0.224 4.116 4.340 0.001 0.000 0.210 887 L C 2.424 179.365 176.870 0.118 0.000 1.076 887 L CA 1.904 56.767 54.840 0.039 0.000 0.749 887 L CB -0.836 41.159 42.059 -0.106 0.000 0.893 887 L HN 0.210 nan 8.230 nan 0.000 0.432 888 K N -1.132 119.359 120.400 0.153 0.000 2.057 888 K HA -0.173 4.147 4.320 0.001 0.000 0.206 888 K C 2.083 178.767 176.600 0.139 0.000 1.050 888 K CA 1.561 57.955 56.287 0.178 0.000 0.935 888 K CB -0.202 32.391 32.500 0.154 0.000 0.715 888 K HN 0.484 nan 8.250 nan 0.000 0.439 889 Q N 0.368 120.242 119.800 0.123 0.000 2.014 889 Q HA -0.179 4.161 4.340 0.001 0.000 0.207 889 Q C 2.244 178.334 176.000 0.151 0.000 0.993 889 Q CA 2.179 58.055 55.803 0.121 0.000 0.850 889 Q CB -0.359 28.444 28.738 0.109 0.000 0.916 889 Q HN 0.339 nan 8.270 nan 0.000 0.417 890 V N -0.984 119.026 119.914 0.160 0.000 2.970 890 V HA -0.077 4.043 4.120 0.001 0.000 0.260 890 V C 1.761 177.975 176.094 0.200 0.000 1.100 890 V CA 1.484 63.904 62.300 0.200 0.000 1.122 890 V CB -0.809 31.123 31.823 0.182 0.000 0.721 890 V HN 0.485 nan 8.190 nan 0.000 0.483 891 I N -0.497 120.155 120.570 0.137 0.000 4.082 891 I HA 0.441 4.612 4.170 0.001 0.000 0.337 891 I C 0.564 176.692 176.117 0.018 0.000 1.352 891 I CA 0.131 61.459 61.300 0.048 0.000 1.097 891 I CB 0.225 38.276 38.000 0.085 0.000 1.048 891 I HN 0.326 nan 8.210 nan 0.000 0.393 892 S N 0.760 116.518 115.700 0.097 0.000 2.599 892 S HA 0.706 5.176 4.470 0.001 0.000 0.294 892 S C -0.473 174.216 174.600 0.148 0.000 1.094 892 S CA -0.836 57.415 58.200 0.084 0.000 0.931 892 S CB 2.067 65.309 63.200 0.070 0.000 1.093 892 S HN 0.227 nan 8.310 nan 0.000 0.488 893 L N 1.334 122.632 121.223 0.125 0.000 2.475 893 L HA 0.286 4.627 4.340 0.001 0.000 0.253 893 L C 1.629 178.551 176.870 0.087 0.000 1.198 893 L CA -0.658 54.265 54.840 0.138 0.000 0.814 893 L CB 0.193 42.317 42.059 0.108 0.000 1.134 893 L HN 0.734 nan 8.230 nan 0.000 0.478 894 Q N -0.112 119.726 119.800 0.064 0.000 2.291 894 Q HA -0.151 4.190 4.340 0.001 0.000 0.206 894 Q C 1.969 177.985 176.000 0.027 0.000 0.976 894 Q CA 1.842 57.667 55.803 0.036 0.000 0.875 894 Q CB -0.314 28.432 28.738 0.013 0.000 0.927 894 Q HN 0.924 nan 8.270 nan 0.000 0.450 895 T N -2.006 112.565 114.554 0.028 0.000 2.812 895 T HA -0.027 4.323 4.350 0.001 0.000 0.264 895 T C 1.681 176.392 174.700 0.019 0.000 1.042 895 T CA 0.564 62.676 62.100 0.019 0.000 1.140 895 T CB -0.025 68.852 68.868 0.016 0.000 0.870 895 T HN -0.065 nan 8.240 nan 0.000 0.445 896 K N 1.580 121.996 120.400 0.027 0.000 2.362 896 K HA 0.175 4.495 4.320 0.001 0.000 0.200 896 K C 0.253 176.867 176.600 0.023 0.000 1.046 896 K CA 0.418 56.718 56.287 0.021 0.000 0.952 896 K CB -0.276 32.237 32.500 0.022 0.000 0.753 896 K HN 0.384 nan 8.250 nan 0.000 0.466 897 N N -1.617 117.101 118.700 0.031 0.000 3.049 897 N HA 0.088 4.828 4.740 0.001 0.000 0.244 897 N C -2.950 172.579 175.510 0.033 0.000 1.203 897 N CA -0.984 52.086 53.050 0.033 0.000 0.945 897 N CB 1.808 40.322 38.487 0.044 0.000 1.616 897 N HN -0.274 nan 8.380 nan 0.000 0.505 898 P HA 0.281 nan 4.420 nan 0.000 0.231 898 P C -1.153 176.159 177.300 0.020 0.000 1.833 898 P CA 0.322 63.434 63.100 0.020 0.000 1.023 898 P CB -0.113 31.594 31.700 0.012 0.000 1.643 899 E N -0.080 120.138 120.200 0.031 0.000 2.343 899 E HA 0.429 4.779 4.350 0.001 0.000 0.288 899 E C 0.214 176.838 176.600 0.041 0.000 0.907 899 E CA -0.695 55.721 56.400 0.028 0.000 0.792 899 E CB 0.595 30.309 29.700 0.023 0.000 1.275 899 E HN 0.120 nan 8.360 nan 0.000 0.402 900 G N 4.111 112.931 108.800 0.032 0.000 2.321 900 G HA2 -0.309 3.652 3.960 0.001 0.000 0.287 900 G HA3 -0.309 3.652 3.960 0.001 0.000 0.287 900 G C 0.344 175.285 174.900 0.068 0.000 1.018 900 G CA 0.794 45.919 45.100 0.042 0.000 0.855 900 G HN 0.379 nan 8.290 nan 0.000 0.507 901 R N -1.236 119.306 120.500 0.070 0.000 2.697 901 R HA 0.514 4.855 4.340 0.001 0.000 0.262 901 R C 0.513 176.900 176.300 0.145 0.000 1.255 901 R CA -0.853 55.317 56.100 0.116 0.000 1.136 901 R CB -0.098 30.265 30.300 0.105 0.000 1.169 901 R HN 0.246 nan 8.270 nan 0.000 0.594 902 F N 2.801 122.776 119.950 0.042 0.000 2.384 902 F HA 0.297 4.824 4.527 0.001 0.000 0.338 902 F C -1.759 174.054 175.800 0.021 0.000 1.103 902 F CA -2.038 55.991 58.000 0.047 0.000 1.157 902 F CB 0.935 39.975 39.000 0.066 0.000 1.167 902 F HN 0.247 nan 8.300 nan 0.000 0.529 903 P HA 0.031 nan 4.420 nan 0.000 0.274 903 P C -1.284 175.981 177.300 -0.058 0.000 1.237 903 P CA -0.249 62.698 63.100 -0.254 0.000 0.793 903 P CB 0.803 32.257 31.700 -0.411 0.000 0.977 904 D N 1.535 121.914 120.400 -0.036 0.000 2.483 904 D HA 0.118 4.759 4.640 0.001 0.000 0.220 904 D C 0.926 177.211 176.300 -0.026 0.000 1.173 904 D CA -0.098 53.918 54.000 0.027 0.000 0.964 904 D CB -0.560 40.243 40.800 0.005 0.000 1.046 904 D HN 0.201 nan 8.370 nan 0.000 0.517 905 L N 2.066 123.314 121.223 0.042 0.000 2.554 905 L HA -0.006 4.335 4.340 0.001 0.000 0.226 905 L C 2.060 178.984 176.870 0.089 0.000 1.137 905 L CA 0.188 55.043 54.840 0.025 0.000 0.863 905 L CB -0.264 41.892 42.059 0.163 0.000 0.985 905 L HN 0.260 nan 8.230 nan 0.000 0.451 906 T N 0.283 114.890 114.554 0.089 0.000 2.580 906 T HA -0.197 4.153 4.350 0.001 0.000 0.265 906 T C 2.058 176.794 174.700 0.060 0.000 1.063 906 T CA 1.696 63.846 62.100 0.083 0.000 1.170 906 T CB -0.334 68.573 68.868 0.064 0.000 0.863 906 T HN 0.093 nan 8.240 nan 0.000 0.418 907 V N 1.440 121.367 119.914 0.022 0.000 2.332 907 V HA -0.185 3.935 4.120 0.001 0.000 0.248 907 V C 2.597 178.696 176.094 0.009 0.000 1.055 907 V CA 2.052 64.353 62.300 0.002 0.000 1.038 907 V CB -0.731 31.076 31.823 -0.025 0.000 0.651 907 V HN 0.414 nan 8.190 nan 0.000 0.450 908 E N 0.597 120.803 120.200 0.010 0.000 2.017 908 E HA -0.198 4.153 4.350 0.001 0.000 0.193 908 E C 2.070 178.808 176.600 0.230 0.000 0.997 908 E CA 1.644 58.076 56.400 0.053 0.000 0.804 908 E CB -0.471 29.209 29.700 -0.033 0.000 0.757 908 E HN 0.526 nan 8.360 nan 0.000 0.448 909 L N 0.609 122.006 121.223 0.290 0.000 2.042 909 L HA -0.238 4.103 4.340 0.001 0.000 0.210 909 L C 2.196 179.198 176.870 0.220 0.000 1.076 909 L CA 1.370 56.415 54.840 0.342 0.000 0.749 909 L CB -0.645 41.580 42.059 0.276 0.000 0.893 909 L HN 0.204 nan 8.230 nan 0.000 0.432 910 N N 0.172 118.943 118.700 0.118 0.000 2.104 910 N HA -0.162 4.579 4.740 0.001 0.000 0.190 910 N C 1.853 177.382 175.510 0.033 0.000 1.024 910 N CA 1.204 54.285 53.050 0.051 0.000 0.853 910 N CB -0.247 38.255 38.487 0.024 0.000 1.008 910 N HN 0.270 nan 8.380 nan 0.000 0.424 911 R N -1.061 119.445 120.500 0.010 0.000 2.189 911 R HA -0.055 4.286 4.340 0.001 0.000 0.223 911 R C 1.676 177.911 176.300 -0.107 0.000 1.092 911 R CA 0.740 56.790 56.100 -0.084 0.000 0.989 911 R CB -0.198 30.003 30.300 -0.166 0.000 0.876 911 R HN 0.407 nan 8.270 nan 0.000 0.457 912 W N 0.710 122.078 121.300 0.113 0.000 2.576 912 W HA -0.046 4.615 4.660 0.001 0.000 0.270 912 W C 1.581 178.121 176.519 0.036 0.000 1.255 912 W CA 0.075 57.509 57.345 0.148 0.000 1.314 912 W CB 0.190 29.794 29.460 0.240 0.000 1.101 912 W HN 0.009 nan 8.180 nan 0.000 0.595 913 D N -0.745 119.732 120.400 0.128 0.000 2.144 913 D HA -0.129 4.512 4.640 0.001 0.000 0.200 913 D C 2.063 178.317 176.300 -0.076 0.000 0.978 913 D CA 1.988 55.896 54.000 -0.154 0.000 0.833 913 D CB -0.614 40.083 40.800 -0.171 0.000 0.961 913 D HN 0.157 nan 8.370 nan 0.000 0.470 914 T N -2.311 112.234 114.554 -0.014 0.000 3.086 914 T HA 0.443 4.793 4.350 0.001 0.000 0.250 914 T C 1.727 176.446 174.700 0.032 0.000 1.074 914 T CA 0.393 62.494 62.100 0.002 0.000 0.988 914 T CB 0.511 69.375 68.868 -0.007 0.000 0.988 914 T HN 0.013 nan 8.240 nan 0.000 0.530 915 A N 1.566 124.414 122.820 0.047 0.000 1.897 915 A HA 0.476 4.796 4.320 0.001 0.000 0.215 915 A C 0.682 178.455 177.584 0.315 0.000 1.181 915 A CA 0.485 52.614 52.037 0.153 0.000 0.620 915 A CB -0.405 18.772 19.000 0.296 0.000 0.821 915 A HN 0.788 nan 8.150 nan 0.000 0.443 916 F N -3.689 116.421 119.950 0.267 0.000 2.779 916 F HA 0.598 5.125 4.527 0.001 0.000 0.316 916 F C -1.184 174.759 175.800 0.237 0.000 1.164 916 F CA -1.802 56.314 58.000 0.194 0.000 0.924 916 F CB 0.426 39.516 39.000 0.150 0.000 1.348 916 F HN -0.172 nan 8.300 nan 0.000 0.467 917 D N 0.667 121.318 120.400 0.419 0.000 2.339 917 D HA 0.159 4.799 4.640 0.001 0.000 0.256 917 D C 0.648 177.180 176.300 0.386 0.000 1.214 917 D CA 0.327 54.511 54.000 0.306 0.000 0.877 917 D CB 0.301 41.228 40.800 0.212 0.000 1.111 917 D HN 0.666 nan 8.370 nan 0.000 0.478 918 H N 2.772 121.927 119.070 0.143 0.000 2.415 918 H HA -0.016 4.540 4.556 0.001 0.000 0.297 918 H C 1.164 176.579 175.328 0.144 0.000 1.048 918 H CA 0.599 56.749 56.048 0.171 0.000 1.365 918 H CB 0.795 30.581 29.762 0.039 0.000 1.421 918 H HN 0.582 nan 8.280 nan 0.000 0.533 919 E N 1.248 121.579 120.200 0.218 0.000 2.058 919 E HA -0.179 4.172 4.350 0.001 0.000 0.194 919 E C 2.163 178.833 176.600 0.117 0.000 0.997 919 E CA 0.854 57.335 56.400 0.135 0.000 0.801 919 E CB 0.035 29.792 29.700 0.095 0.000 0.746 919 E HN 0.304 nan 8.360 nan 0.000 0.450 920 K N 0.732 121.208 120.400 0.126 0.000 2.217 920 K HA -0.064 4.256 4.320 0.001 0.000 0.202 920 K C 2.087 178.743 176.600 0.093 0.000 1.051 920 K CA 0.865 57.211 56.287 0.097 0.000 0.952 920 K CB -0.007 32.550 32.500 0.097 0.000 0.736 920 K HN 0.068 nan 8.250 nan 0.000 0.453 921 A N 1.536 124.437 122.820 0.136 0.000 1.902 921 A HA -0.168 4.152 4.320 0.001 0.000 0.217 921 A C 2.148 179.776 177.584 0.074 0.000 1.181 921 A CA 1.398 53.498 52.037 0.106 0.000 0.623 921 A CB -0.494 18.619 19.000 0.189 0.000 0.818 921 A HN 0.348 nan 8.150 nan 0.000 0.443 922 R N -0.411 120.142 120.500 0.088 0.000 2.075 922 R HA -0.113 4.227 4.340 0.001 0.000 0.232 922 R C 1.883 178.207 176.300 0.039 0.000 1.126 922 R CA 1.405 57.543 56.100 0.062 0.000 0.963 922 R CB -0.112 30.227 30.300 0.065 0.000 0.858 922 R HN 0.290 nan 8.270 nan 0.000 0.435 923 K N -0.085 120.339 120.400 0.041 0.000 2.097 923 K HA -0.080 4.240 4.320 0.001 0.000 0.206 923 K C 1.659 178.267 176.600 0.013 0.000 1.049 923 K CA 1.876 58.178 56.287 0.025 0.000 0.933 923 K CB -0.242 32.275 32.500 0.028 0.000 0.717 923 K HN 0.462 nan 8.250 nan 0.000 0.442 924 T N -3.206 111.356 114.554 0.013 0.000 2.213 924 T HA 0.536 4.887 4.350 0.001 0.000 0.184 924 T C 0.998 175.690 174.700 -0.014 0.000 0.716 924 T CA -0.173 61.925 62.100 -0.004 0.000 1.296 924 T CB 0.553 69.417 68.868 -0.007 0.000 2.422 924 T HN 0.139 nan 8.240 nan 0.000 0.446 925 G N 0.028 108.809 108.800 -0.032 0.000 3.135 925 G HA2 0.674 4.635 3.960 0.001 0.000 0.159 925 G HA3 0.674 4.635 3.960 0.001 0.000 0.159 925 G C -1.372 173.470 174.900 -0.097 0.000 1.244 925 G CA -1.050 44.013 45.100 -0.062 0.000 0.965 925 G HN 0.681 nan 8.290 nan 0.000 0.599 926 L N 1.205 122.332 121.223 -0.161 0.000 2.353 926 L HA 0.427 4.768 4.340 0.001 0.000 0.270 926 L C -0.467 176.300 176.870 -0.172 0.000 1.003 926 L CA -0.409 54.290 54.840 -0.234 0.000 0.862 926 L CB 1.509 43.296 42.059 -0.453 0.000 1.221 926 L HN 0.280 nan 8.230 nan 0.000 0.430 927 I N 2.556 123.068 120.570 -0.097 0.000 2.533 927 I HA 0.043 4.213 4.170 0.001 0.000 0.284 927 I C 0.658 176.740 176.117 -0.057 0.000 1.109 927 I CA 0.120 61.382 61.300 -0.064 0.000 1.412 927 I CB 1.186 39.171 38.000 -0.026 0.000 1.396 927 I HN 0.528 nan 8.210 nan 0.000 0.543 928 T N 8.135 122.647 114.554 -0.070 0.000 2.870 928 T HA 0.192 4.542 4.350 0.001 0.000 0.300 928 T C -1.987 172.691 174.700 -0.036 0.000 0.989 928 T CA -0.810 61.252 62.100 -0.064 0.000 1.139 928 T CB 0.339 69.153 68.868 -0.091 0.000 0.920 928 T HN 0.440 nan 8.240 nan 0.000 0.537 929 P HA 0.320 nan 4.420 nan 0.000 0.276 929 P C -0.409 176.877 177.300 -0.024 0.000 1.244 929 P CA -0.787 62.310 63.100 -0.005 0.000 0.801 929 P CB 0.676 32.386 31.700 0.016 0.000 1.006 930 K N 1.124 121.514 120.400 -0.017 0.000 2.518 930 K HA 0.255 4.576 4.320 0.001 0.000 0.276 930 K C 1.143 177.727 176.600 -0.027 0.000 0.974 930 K CA 1.293 57.566 56.287 -0.023 0.000 0.986 930 K CB -0.626 31.869 32.500 -0.009 0.000 0.901 930 K HN 0.637 nan 8.250 nan 0.000 0.497 931 A N 0.197 122.994 122.820 -0.039 0.000 3.617 931 A HA -0.046 4.275 4.320 0.001 0.000 0.233 931 A C 0.799 178.326 177.584 -0.096 0.000 0.775 931 A CA 0.961 52.978 52.037 -0.034 0.000 1.591 931 A CB -2.105 16.894 19.000 -0.001 0.000 1.021 931 A HN 1.455 nan 8.150 nan 0.000 0.691 932 G N -3.974 104.753 108.800 -0.122 0.000 2.321 932 G HA2 0.683 4.644 3.960 0.001 0.000 0.298 932 G HA3 0.683 4.644 3.960 0.001 0.000 0.298 932 G C -0.017 174.815 174.900 -0.113 0.000 1.385 932 G CA 0.461 45.452 45.100 -0.181 0.000 0.856 932 G HN 1.907 nan 8.290 nan 0.000 0.584 936 D N 0.716 120.745 120.400 -0.620 0.000 2.234 936 D HA 0.003 4.643 4.640 0.001 0.000 0.205 936 D C 1.627 177.788 176.300 -0.231 0.000 0.962 936 D CA 1.468 55.276 54.000 -0.321 0.000 0.855 936 D CB -0.149 40.528 40.800 -0.205 0.000 0.951 936 D HN 0.758 nan 8.370 nan 0.000 0.500 937 Y N -0.524 119.766 120.300 -0.016 0.000 2.315 937 Y HA 0.004 4.554 4.550 0.001 0.000 0.288 937 Y C 1.513 177.402 175.900 -0.019 0.000 1.154 937 Y CA 0.936 59.027 58.100 -0.016 0.000 1.229 937 Y CB -0.896 37.555 38.460 -0.014 0.000 0.980 937 Y HN -0.086 nan 8.280 nan 0.000 0.540 938 D N -0.577 119.887 120.400 0.108 0.000 2.277 938 D HA -0.055 4.586 4.640 0.001 0.000 0.209 938 D C 2.126 178.421 176.300 -0.008 0.000 0.970 938 D CA 0.962 55.003 54.000 0.069 0.000 0.874 938 D CB -0.139 40.705 40.800 0.073 0.000 0.982 938 D HN 0.541 nan 8.370 nan 0.000 0.504 939 Q N 0.735 120.496 119.800 -0.064 0.000 1.984 939 Q HA 0.001 4.342 4.340 0.001 0.000 0.196 939 Q C 2.091 178.066 176.000 -0.040 0.000 0.975 939 Q CA 1.423 57.188 55.803 -0.063 0.000 0.827 939 Q CB -0.160 28.523 28.738 -0.092 0.000 0.894 939 Q HN 0.095 nan 8.270 nan 0.000 0.438 940 A N 0.984 123.780 122.820 -0.041 0.000 1.940 940 A HA -0.244 4.076 4.320 0.001 0.000 0.221 940 A C 2.050 179.631 177.584 -0.006 0.000 1.190 940 A CA 1.780 53.805 52.037 -0.021 0.000 0.647 940 A CB -1.057 17.935 19.000 -0.013 0.000 0.821 940 A HN 0.534 nan 8.150 nan 0.000 0.457 941 L N -0.509 120.718 121.223 0.005 0.000 1.994 941 L HA -0.035 4.305 4.340 0.001 0.000 0.208 941 L C 2.757 179.626 176.870 -0.001 0.000 1.071 941 L CA 2.393 57.238 54.840 0.009 0.000 0.745 941 L CB -0.959 41.113 42.059 0.022 0.000 0.892 941 L HN 0.347 nan 8.230 nan 0.000 0.431 942 A N -1.148 121.668 122.820 -0.006 0.000 1.972 942 A HA -0.246 4.075 4.320 0.001 0.000 0.219 942 A C 2.056 179.630 177.584 -0.015 0.000 1.169 942 A CA 1.754 53.783 52.037 -0.012 0.000 0.635 942 A CB -0.860 18.130 19.000 -0.017 0.000 0.810 942 A HN 0.587 nan 8.150 nan 0.000 0.446 943 D N 0.082 120.471 120.400 -0.017 0.000 2.117 943 D HA -0.088 4.553 4.640 0.001 0.000 0.198 943 D C 1.660 177.954 176.300 -0.011 0.000 0.982 943 D CA 1.268 55.258 54.000 -0.017 0.000 0.828 943 D CB -0.209 40.578 40.800 -0.022 0.000 0.967 943 D HN 0.478 nan 8.370 nan 0.000 0.464 944 I N -0.282 120.283 120.570 -0.008 0.000 2.761 944 I HA -0.048 4.123 4.170 0.001 0.000 0.261 944 I C 2.267 178.381 176.117 -0.006 0.000 1.198 944 I CA 0.347 61.644 61.300 -0.005 0.000 1.482 944 I CB -0.132 37.866 38.000 -0.002 0.000 1.100 944 I HN -0.079 nan 8.210 nan 0.000 0.445 945 R N 0.812 121.307 120.500 -0.008 0.000 2.237 945 R HA -0.112 4.228 4.340 0.001 0.000 0.219 945 R C 1.759 178.050 176.300 -0.015 0.000 1.080 945 R CA 0.982 57.075 56.100 -0.012 0.000 0.995 945 R CB -0.041 30.250 30.300 -0.013 0.000 0.875 945 R HN 0.488 nan 8.270 nan 0.000 0.462 946 E N -0.171 120.023 120.200 -0.010 0.000 2.166 946 E HA -0.012 4.338 4.350 0.001 0.000 0.192 946 E C 1.405 178.006 176.600 0.002 0.000 0.967 946 E CA 0.267 56.663 56.400 -0.006 0.000 0.840 946 E CB 0.125 29.823 29.700 -0.003 0.000 0.795 946 E HN 0.227 nan 8.360 nan 0.000 0.470 947 N N 1.420 120.121 118.700 0.001 0.000 2.272 947 N HA -0.200 4.541 4.740 0.001 0.000 0.185 947 N C 1.576 177.090 175.510 0.008 0.000 1.014 947 N CA 0.972 54.025 53.050 0.005 0.000 0.870 947 N CB -0.099 38.389 38.487 0.000 0.000 0.975 947 N HN 0.301 nan 8.380 nan 0.000 0.433 948 E N 0.957 121.158 120.200 0.001 0.000 2.006 948 E HA -0.144 4.207 4.350 0.001 0.000 0.192 948 E C 1.548 178.146 176.600 -0.003 0.000 0.993 948 E CA 0.971 57.371 56.400 0.000 0.000 0.808 948 E CB 0.029 29.725 29.700 -0.007 0.000 0.764 948 E HN 0.344 nan 8.360 nan 0.000 0.449 949 Q N -0.011 119.775 119.800 -0.024 0.000 2.230 949 Q HA -0.050 4.290 4.340 0.001 0.000 0.202 949 Q C 2.310 178.274 176.000 -0.060 0.000 0.963 949 Q CA 1.251 57.016 55.803 -0.064 0.000 0.866 949 Q CB 0.177 28.854 28.738 -0.101 0.000 0.931 949 Q HN 0.148 nan 8.270 nan 0.000 0.452 950 S N 0.928 116.637 115.700 0.014 0.000 2.368 950 S HA -0.132 4.338 4.470 0.001 0.000 0.225 950 S C 1.727 176.448 174.600 0.202 0.000 1.030 950 S CA 1.029 59.300 58.200 0.119 0.000 0.999 950 S CB -0.113 63.154 63.200 0.112 0.000 0.844 950 S HN 0.260 nan 8.310 nan 0.000 0.459 951 L N 0.910 122.205 121.223 0.120 0.000 2.249 951 L HA 0.306 4.647 4.340 0.001 0.000 0.207 951 L C 1.841 178.806 176.870 0.158 0.000 1.090 951 L CA 0.889 55.813 54.840 0.139 0.000 0.802 951 L CB -0.551 41.542 42.059 0.057 0.000 0.947 951 L HN 0.218 nan 8.230 nan 0.000 0.453 952 L N -0.111 121.160 121.223 0.081 0.000 2.079 952 L HA -0.187 4.154 4.340 0.001 0.000 0.210 952 L C 2.265 179.176 176.870 0.069 0.000 1.081 952 L CA 1.877 56.750 54.840 0.055 0.000 0.752 952 L CB -0.607 41.453 42.059 0.001 0.000 0.896 952 L HN 0.398 nan 8.230 nan 0.000 0.433 953 E N -1.916 118.296 120.200 0.021 0.000 2.216 953 E HA -0.197 4.153 4.350 0.001 0.000 0.192 953 E C 2.048 178.773 176.600 0.207 0.000 0.988 953 E CA 1.021 57.422 56.400 0.003 0.000 0.834 953 E CB -0.213 29.266 29.700 -0.367 0.000 0.772 953 E HN 0.557 nan 8.360 nan 0.000 0.479 954 Y N 0.950 121.372 120.300 0.204 0.000 2.293 954 Y HA -0.122 4.428 4.550 0.001 0.000 0.291 954 Y C 2.123 178.113 175.900 0.151 0.000 1.137 954 Y CA 0.911 59.158 58.100 0.246 0.000 1.202 954 Y CB 0.046 38.624 38.460 0.198 0.000 0.990 954 Y HN -0.010 nan 8.280 nan 0.000 0.537 955 L N -0.583 120.792 121.223 0.254 0.000 2.156 955 L HA -0.134 4.206 4.340 0.001 0.000 0.208 955 L C 1.127 178.081 176.870 0.141 0.000 1.095 955 L CA 1.236 56.173 54.840 0.162 0.000 0.770 955 L CB -0.219 41.911 42.059 0.119 0.000 0.914 955 L HN 0.177 nan 8.230 nan 0.000 0.439 956 E N -0.336 119.968 120.200 0.174 0.000 2.370 956 E HA -0.030 4.320 4.350 0.001 0.000 0.194 956 E C 1.209 177.965 176.600 0.260 0.000 1.057 956 E CA -0.113 56.417 56.400 0.218 0.000 1.011 956 E CB 0.435 30.307 29.700 0.286 0.000 1.132 956 E HN 0.259 nan 8.360 nan 0.000 0.450 957 K N 0.384 120.875 120.400 0.152 0.000 2.365 957 K HA 0.016 4.336 4.320 0.001 0.000 0.195 957 K C 1.705 178.287 176.600 -0.030 0.000 1.079 957 K CA 0.102 56.407 56.287 0.030 0.000 0.979 957 K CB 0.545 32.975 32.500 -0.117 0.000 0.929 957 K HN -0.020 nan 8.250 nan 0.000 0.523 958 Q N 0.771 120.581 119.800 0.016 0.000 2.079 958 Q HA -0.108 4.233 4.340 0.001 0.000 0.200 958 Q C 1.921 177.898 176.000 -0.038 0.000 0.974 958 Q CA 1.239 57.038 55.803 -0.006 0.000 0.840 958 Q CB -0.101 28.653 28.738 0.027 0.000 0.898 958 Q HN 0.269 nan 8.270 nan 0.000 0.430 959 R N 0.733 121.213 120.500 -0.033 0.000 2.127 959 R HA -0.113 4.228 4.340 0.001 0.000 0.238 959 R C 1.172 177.377 176.300 -0.158 0.000 1.134 959 R CA 1.250 57.300 56.100 -0.083 0.000 0.975 959 R CB -0.098 30.154 30.300 -0.079 0.000 0.865 959 R HN 0.245 nan 8.270 nan 0.000 0.447 960 N N 0.171 118.762 118.700 -0.181 0.000 2.383 960 N HA 0.010 4.751 4.740 0.001 0.000 0.192 960 N C -0.113 175.294 175.510 -0.172 0.000 1.141 960 N CA 0.393 53.309 53.050 -0.222 0.000 0.851 960 N CB 0.422 38.758 38.487 -0.253 0.000 0.976 960 N HN 0.002 nan 8.380 nan 0.000 0.465 961 R N 0.496 120.913 120.500 -0.139 0.000 4.017 961 R HA 0.340 4.681 4.340 0.001 0.000 0.272 961 R C 0.518 176.750 176.300 -0.114 0.000 1.516 961 R CA -0.080 55.938 56.100 -0.135 0.000 1.519 961 R CB -0.072 30.160 30.300 -0.114 0.000 1.422 961 R HN 0.222 nan 8.270 nan 0.000 0.719 962 I N -1.539 118.959 120.570 -0.120 0.000 2.385 962 I HA 0.008 4.178 4.170 0.001 0.000 0.244 962 I C 2.114 178.182 176.117 -0.082 0.000 1.089 962 I CA 0.983 62.229 61.300 -0.090 0.000 1.410 962 I CB 0.012 37.959 38.000 -0.088 0.000 1.117 962 I HN 0.408 nan 8.210 nan 0.000 0.429 963 G N -0.357 108.378 108.800 -0.108 0.000 2.838 963 G HA2 0.105 4.065 3.960 0.001 0.000 0.210 963 G HA3 0.105 4.065 3.960 0.001 0.000 0.210 963 G C 0.363 175.096 174.900 -0.277 0.000 1.153 963 G CA 0.138 45.183 45.100 -0.093 0.000 0.778 963 G HN 0.316 nan 8.290 nan 0.000 0.539 964 C N -1.915 117.173 119.300 -0.354 0.000 3.235 964 C HA 0.854 5.314 4.460 0.001 0.000 0.351 964 C C 0.776 175.616 174.990 -0.249 0.000 1.520 964 C CA -0.727 58.008 59.018 -0.471 0.000 1.474 964 C CB 2.138 29.500 27.740 -0.629 0.000 2.019 964 C HN 0.223 nan 8.230 nan 0.000 0.446 965 R N -0.631 119.739 120.500 -0.216 0.000 2.435 965 R HA 0.090 4.430 4.340 0.001 0.000 0.276 965 R C 0.913 177.150 176.300 -0.104 0.000 0.866 965 R CA 0.261 56.287 56.100 -0.123 0.000 1.085 965 R CB -0.386 29.869 30.300 -0.074 0.000 1.751 965 R HN 0.762 nan 8.270 nan 0.000 0.463 966 T N 0.385 114.858 114.554 -0.135 0.000 3.069 966 T HA 0.388 4.739 4.350 0.001 0.000 0.252 966 T C 0.743 175.385 174.700 -0.096 0.000 1.053 966 T CA -0.097 61.950 62.100 -0.087 0.000 0.964 966 T CB -0.024 68.811 68.868 -0.054 0.000 1.005 966 T HN -0.006 nan 8.240 nan 0.000 0.532 967 I N 2.150 122.634 120.570 -0.143 0.000 2.692 967 I HA 0.228 4.398 4.170 0.001 0.000 0.284 967 I C -0.278 175.758 176.117 -0.136 0.000 1.159 967 I CA -0.248 60.963 61.300 -0.148 0.000 1.423 967 I CB 0.933 38.815 38.000 -0.196 0.000 1.380 967 I HN -0.072 nan 8.210 nan 0.000 0.580 968 V N 5.796 125.647 119.914 -0.105 0.000 2.925 968 V HA 0.310 4.431 4.120 0.001 0.000 0.311 968 V C -0.635 175.435 176.094 -0.039 0.000 1.104 968 V CA -0.847 61.414 62.300 -0.065 0.000 0.954 968 V CB 1.952 33.799 31.823 0.040 0.000 1.022 968 V HN 0.337 nan 8.190 nan 0.000 0.427 969 Y N 1.547 121.851 120.300 0.007 0.000 2.397 969 Y HA 0.385 4.935 4.550 0.001 0.000 0.335 969 Y C -0.113 175.845 175.900 0.098 0.000 1.213 969 Y CA 0.118 58.220 58.100 0.003 0.000 1.391 969 Y CB 0.874 39.259 38.460 -0.125 0.000 1.293 969 Y HN 0.750 nan 8.280 nan 0.000 0.557 970 W N 1.065 122.421 121.300 0.094 0.000 3.217 970 W HA 0.628 5.288 4.660 0.001 0.000 0.323 970 W C -0.709 175.797 176.519 -0.022 0.000 1.216 970 W CA -0.441 56.913 57.345 0.015 0.000 1.194 970 W CB 2.227 31.701 29.460 0.023 0.000 1.397 970 W HN 0.773 nan 8.180 nan 0.000 0.537 971 G N 3.586 111.948 108.800 -0.730 0.000 2.453 971 G HA2 0.250 4.210 3.960 0.001 0.000 0.665 971 G HA3 0.250 4.210 3.960 0.001 0.000 0.665 971 G C -1.550 173.045 174.900 -0.509 0.000 1.411 971 G CA -0.588 44.138 45.100 -0.623 0.000 0.889 971 G HN 1.299 nan 8.290 nan 0.000 0.651 972 I N 0.131 120.458 120.570 -0.405 0.000 2.693 972 I HA 0.894 5.065 4.170 0.001 0.000 0.303 972 I C 1.167 177.201 176.117 -0.138 0.000 1.025 972 I CA -0.001 61.139 61.300 -0.266 0.000 1.086 972 I CB 1.828 39.678 38.000 -0.250 0.000 1.268 972 I HN 2.459 nan 8.210 nan 0.000 0.440 973 G N 4.668 113.405 108.800 -0.106 0.000 2.602 973 G HA2 -0.401 3.559 3.960 0.001 0.000 0.310 973 G HA3 -0.401 3.559 3.960 0.001 0.000 0.310 973 G C 0.844 175.740 174.900 -0.007 0.000 1.183 973 G CA 0.924 45.995 45.100 -0.049 0.000 0.979 973 G HN 0.976 nan 8.290 nan 0.000 0.545 974 R N 1.095 121.607 120.500 0.020 0.000 2.275 974 R HA 0.106 4.446 4.340 0.001 0.000 0.199 974 R C 1.142 177.509 176.300 0.111 0.000 0.989 974 R CA 1.003 57.136 56.100 0.055 0.000 1.016 974 R CB -0.182 30.144 30.300 0.044 0.000 0.918 974 R HN 0.399 nan 8.270 nan 0.000 0.473 975 N N 0.752 119.515 118.700 0.106 0.000 2.321 975 N HA 0.075 4.815 4.740 0.001 0.000 0.242 975 N C -0.553 175.046 175.510 0.148 0.000 1.141 975 N CA -0.025 53.150 53.050 0.208 0.000 0.864 975 N CB 0.573 39.174 38.487 0.190 0.000 1.100 975 N HN 0.098 nan 8.380 nan 0.000 0.510 976 R N -0.518 120.017 120.500 0.058 0.000 2.738 976 R HA 0.112 4.452 4.340 0.001 0.000 0.275 976 R C 0.003 176.264 176.300 -0.065 0.000 1.121 976 R CA -0.286 55.756 56.100 -0.097 0.000 1.207 976 R CB 0.251 30.441 30.300 -0.183 0.000 1.141 976 R HN 0.144 nan 8.270 nan 0.000 0.571 977 Y N -1.359 118.794 120.300 -0.245 0.000 3.825 977 Y HA -0.293 4.257 4.550 0.001 0.000 0.221 977 Y C -0.249 175.556 175.900 -0.158 0.000 1.195 977 Y CA 0.516 58.373 58.100 -0.405 0.000 1.699 977 Y CB -1.953 36.139 38.460 -0.613 0.000 1.531 977 Y HN 0.515 nan 8.280 nan 0.000 0.640 978 Q N 0.366 120.205 119.800 0.064 0.000 2.293 978 Q HA 0.439 4.779 4.340 0.001 0.000 0.251 978 Q C 0.095 176.237 176.000 0.238 0.000 0.930 978 Q CA -0.628 55.208 55.803 0.056 0.000 0.893 978 Q CB 0.903 29.756 28.738 0.193 0.000 1.215 978 Q HN 0.336 nan 8.270 nan 0.000 0.425 979 L N 2.635 123.950 121.223 0.153 0.000 2.385 979 L HA 0.130 4.471 4.340 0.001 0.000 0.285 979 L C 0.467 177.356 176.870 0.031 0.000 1.125 979 L CA 0.007 54.889 54.840 0.070 0.000 0.890 979 L CB -0.024 42.077 42.059 0.069 0.000 1.251 979 L HN 0.574 nan 8.230 nan 0.000 0.445 980 E N 5.068 125.281 120.200 0.022 0.000 2.104 980 E HA 0.223 4.573 4.350 0.001 0.000 0.278 980 E C -0.847 175.723 176.600 -0.050 0.000 1.127 980 E CA -0.266 56.121 56.400 -0.022 0.000 0.897 980 E CB 0.760 30.457 29.700 -0.005 0.000 1.043 980 E HN 0.521 nan 8.360 nan 0.000 0.410 981 I N 5.576 126.118 120.570 -0.048 0.000 2.465 981 I HA 0.442 4.612 4.170 0.001 0.000 0.291 981 I C -2.490 173.632 176.117 0.008 0.000 1.014 981 I CA -3.033 58.239 61.300 -0.046 0.000 1.093 981 I CB 1.812 39.778 38.000 -0.057 0.000 1.267 981 I HN 0.432 nan 8.210 nan 0.000 0.431 982 P HA 0.001 nan 4.420 nan 0.000 0.269 982 P C -0.310 177.077 177.300 0.145 0.000 1.217 982 P CA 0.142 63.312 63.100 0.117 0.000 0.783 982 P CB 0.443 32.273 31.700 0.216 0.000 0.898 983 E N 0.856 121.096 120.200 0.068 0.000 2.485 983 E HA -0.081 4.269 4.350 0.001 0.000 0.194 983 E C 0.358 176.956 176.600 -0.003 0.000 1.098 983 E CA 0.268 56.686 56.400 0.031 0.000 0.878 983 E CB -0.388 29.309 29.700 -0.005 0.000 0.939 983 E HN 0.326 nan 8.360 nan 0.000 0.503 984 N N -0.660 118.033 118.700 -0.012 0.000 2.415 984 N HA 0.003 4.743 4.740 0.001 0.000 0.176 984 N C -0.634 174.614 175.510 -0.438 0.000 1.042 984 N CA 0.546 53.442 53.050 -0.256 0.000 0.902 984 N CB 0.323 38.571 38.487 -0.398 0.000 0.986 984 N HN 0.059 nan 8.380 nan 0.000 0.447 985 F N -0.570 119.365 119.950 -0.026 0.000 2.366 985 F HA 0.403 4.931 4.527 0.001 0.000 0.357 985 F C 1.093 176.876 175.800 -0.027 0.000 1.107 985 F CA -0.531 57.453 58.000 -0.027 0.000 1.208 985 F CB 1.315 40.298 39.000 -0.029 0.000 1.464 985 F HN -0.156 nan 8.300 nan 0.000 0.501 986 T N -1.884 112.715 114.554 0.076 0.000 3.092 986 T HA -0.023 4.327 4.350 0.001 0.000 0.273 986 T C 1.569 176.281 174.700 0.019 0.000 0.898 986 T CA 0.929 63.057 62.100 0.045 0.000 0.868 986 T CB 0.064 68.945 68.868 0.022 0.000 1.228 986 T HN 0.443 nan 8.240 nan 0.000 0.555 987 T N 0.295 114.853 114.554 0.006 0.000 3.086 987 T HA 0.250 4.600 4.350 0.001 0.000 0.250 987 T C 0.981 175.684 174.700 0.004 0.000 1.074 987 T CA -0.359 61.739 62.100 -0.003 0.000 0.988 987 T CB -0.212 68.645 68.868 -0.019 0.000 0.988 987 T HN 0.524 nan 8.240 nan 0.000 0.530 988 R N 0.378 120.889 120.500 0.018 0.000 2.583 988 R HA 0.363 4.703 4.340 0.001 0.000 0.329 988 R C -0.828 175.488 176.300 0.027 0.000 1.166 988 R CA -0.589 55.522 56.100 0.019 0.000 1.264 988 R CB -0.741 29.568 30.300 0.015 0.000 1.324 988 R HN 0.192 nan 8.270 nan 0.000 0.684 989 N N 0.718 119.434 118.700 0.027 0.000 2.332 989 N HA 0.303 5.043 4.740 0.001 0.000 0.285 989 N C -0.459 175.057 175.510 0.009 0.000 1.292 989 N CA -0.650 52.413 53.050 0.023 0.000 0.947 989 N CB 0.538 39.041 38.487 0.028 0.000 1.084 989 N HN 0.010 nan 8.380 nan 0.000 0.529 990 L N 1.314 122.539 121.223 0.003 0.000 2.292 990 L HA 0.421 4.761 4.340 0.001 0.000 0.284 990 L C -2.014 174.870 176.870 0.024 0.000 1.065 990 L CA -1.710 53.129 54.840 -0.003 0.000 0.806 990 L CB 0.835 42.873 42.059 -0.035 0.000 1.175 990 L HN 0.345 nan 8.230 nan 0.000 0.431 994 Y N 1.597 122.001 120.300 0.174 0.000 2.436 994 Y HA 0.312 4.862 4.550 0.001 0.000 0.327 994 Y C -1.902 174.102 175.900 0.174 0.000 1.138 994 Y CA -0.488 57.703 58.100 0.152 0.000 1.042 994 Y CB 1.827 40.378 38.460 0.151 0.000 1.302 994 Y HN 0.569 nan 8.280 nan 0.000 0.439 995 E N 5.883 125.855 120.200 -0.381 0.000 2.204 995 E HA 0.486 4.837 4.350 0.001 0.000 0.276 995 E C -0.989 175.407 176.600 -0.341 0.000 0.974 995 E CA -0.695 55.557 56.400 -0.246 0.000 0.815 995 E CB 2.572 32.184 29.700 -0.147 0.000 1.119 995 E HN 0.799 nan 8.360 nan 0.000 0.393 996 L N 0.818 122.008 121.223 -0.054 0.000 2.666 996 L HA 0.305 4.645 4.340 0.001 0.000 0.184 996 L C 0.477 177.367 176.870 0.034 0.000 1.092 996 L CA 0.101 54.958 54.840 0.028 0.000 0.857 996 L CB 0.476 42.676 42.059 0.235 0.000 1.281 996 L HN 0.472 nan 8.230 nan 0.000 0.489 997 K N 0.184 120.603 120.400 0.031 0.000 2.340 997 K HA 0.503 4.823 4.320 0.001 0.000 0.244 997 K C -0.927 175.588 176.600 -0.141 0.000 0.973 997 K CA -0.392 55.864 56.287 -0.052 0.000 0.828 997 K CB 2.393 34.857 32.500 -0.061 0.000 1.226 997 K HN 0.060 nan 8.250 nan 0.000 0.437 998 S N -0.206 115.402 115.700 -0.155 0.000 2.614 998 S HA 0.332 4.803 4.470 0.001 0.000 0.275 998 S C -0.710 173.794 174.600 -0.160 0.000 1.161 998 S CA -0.740 57.366 58.200 -0.157 0.000 0.969 998 S CB 1.843 64.987 63.200 -0.094 0.000 1.059 998 S HN 0.520 nan 8.310 nan 0.000 0.482 999 T N 0.862 115.304 114.554 -0.188 0.000 2.937 999 T HA 0.571 4.922 4.350 0.001 0.000 0.283 999 T C -0.360 174.284 174.700 -0.093 0.000 1.012 999 T CA -0.668 61.345 62.100 -0.144 0.000 0.997 999 T CB 0.938 69.695 68.868 -0.185 0.000 1.136 999 T HN 0.717 nan 8.240 nan 0.000 0.551 1000 K N 2.285 122.647 120.400 -0.063 0.000 2.395 1000 K HA 0.128 4.448 4.320 0.001 0.000 0.283 1000 K C -0.417 176.157 176.600 -0.043 0.000 1.068 1000 K CA 0.640 56.901 56.287 -0.043 0.000 1.039 1000 K CB -0.630 31.854 32.500 -0.028 0.000 0.924 1000 K HN 0.604 nan 8.250 nan 0.000 0.468 1001 K N 2.553 122.930 120.400 -0.039 0.000 5.393 1001 K HA -0.178 4.142 4.320 0.001 0.000 0.381 1001 K C -0.322 176.256 176.600 -0.037 0.000 1.015 1001 K CA 0.816 57.084 56.287 -0.031 0.000 1.190 1001 K CB -1.715 30.773 32.500 -0.020 0.000 1.752 1001 K HN 1.005 nan 8.250 nan 0.000 0.409 1002 G N 0.853 109.626 108.800 -0.046 0.000 2.151 1002 G HA2 0.136 4.097 3.960 0.001 0.000 0.183 1002 G HA3 0.136 4.097 3.960 0.001 0.000 0.183 1002 G C -0.664 174.177 174.900 -0.098 0.000 1.472 1002 G CA -0.460 44.605 45.100 -0.059 0.000 1.060 1002 G HN 0.552 nan 8.290 nan 0.000 0.641 1003 C N 2.381 121.641 119.300 -0.067 0.000 2.370 1003 C HA 0.899 5.360 4.460 0.001 0.000 0.354 1003 C C 0.342 175.284 174.990 -0.079 0.000 1.218 1003 C CA -0.514 58.458 59.018 -0.076 0.000 2.154 1003 C CB 0.493 28.211 27.740 -0.037 0.000 2.391 1003 C HN 0.697 nan 8.230 nan 0.000 0.540 1004 K N 3.817 124.166 120.400 -0.085 0.000 2.270 1004 K HA 0.674 4.994 4.320 0.001 0.000 0.255 1004 K C -0.665 175.964 176.600 0.048 0.000 0.936 1004 K CA -0.323 55.944 56.287 -0.033 0.000 0.809 1004 K CB 1.698 34.145 32.500 -0.087 0.000 1.131 1004 K HN 0.668 nan 8.250 nan 0.000 0.427 1005 R N 1.476 122.037 120.500 0.102 0.000 2.808 1005 R HA 0.415 4.755 4.340 0.001 0.000 0.272 1005 R C -1.369 175.088 176.300 0.262 0.000 0.995 1005 R CA -0.896 55.312 56.100 0.180 0.000 0.917 1005 R CB 1.518 31.904 30.300 0.144 0.000 1.217 1005 R HN 0.489 nan 8.270 nan 0.000 0.471 1006 Y N 0.102 120.577 120.300 0.291 0.000 2.549 1006 Y HA 0.385 4.936 4.550 0.001 0.000 0.339 1006 Y C -0.736 175.411 175.900 0.413 0.000 1.053 1006 Y CA -0.332 57.974 58.100 0.342 0.000 1.105 1006 Y CB 1.807 40.493 38.460 0.378 0.000 1.258 1006 Y HN 0.671 nan 8.280 nan 0.000 0.478 1007 W N 3.407 124.905 121.300 0.330 0.000 2.563 1007 W HA 0.349 5.010 4.660 0.001 0.000 0.301 1007 W C 0.534 177.152 176.519 0.164 0.000 1.006 1007 W CA -0.757 56.711 57.345 0.205 0.000 1.382 1007 W CB 0.403 29.939 29.460 0.125 0.000 1.262 1007 W HN 0.604 nan 8.180 nan 0.000 0.403 1008 T N 0.625 115.262 114.554 0.139 0.000 2.680 1008 T HA -0.349 4.001 4.350 0.001 0.000 0.268 1008 T C 1.405 176.056 174.700 -0.082 0.000 1.033 1008 T CA 1.999 64.079 62.100 -0.033 0.000 1.152 1008 T CB -0.193 68.619 68.868 -0.092 0.000 0.859 1008 T HN 0.613 nan 8.240 nan 0.000 0.452 1009 K N 0.781 121.198 120.400 0.028 0.000 2.520 1009 K HA -0.045 4.275 4.320 0.001 0.000 0.197 1009 K C 1.590 178.140 176.600 -0.083 0.000 1.044 1009 K CA 1.487 57.806 56.287 0.053 0.000 0.938 1009 K CB -0.115 32.534 32.500 0.249 0.000 0.767 1009 K HN 0.552 nan 8.250 nan 0.000 0.481 1010 T N -0.857 113.449 114.554 -0.413 0.000 3.636 1010 T HA 0.159 4.510 4.350 0.001 0.000 0.279 1010 T C 1.615 175.973 174.700 -0.569 0.000 0.977 1010 T CA -0.351 61.433 62.100 -0.527 0.000 1.139 1010 T CB -0.097 68.348 68.868 -0.705 0.000 1.147 1010 T HN -0.061 nan 8.240 nan 0.000 0.442 1011 I N 1.947 122.036 120.570 -0.803 0.000 2.127 1011 I HA -0.145 4.025 4.170 0.001 0.000 0.241 1011 I C 2.484 178.516 176.117 -0.141 0.000 1.075 1011 I CA 1.658 62.681 61.300 -0.460 0.000 1.334 1011 I CB -0.372 37.391 38.000 -0.396 0.000 1.040 1011 I HN 0.350 nan 8.210 nan 0.000 0.405 1012 E N 0.810 120.991 120.200 -0.032 0.000 2.204 1012 E HA -0.214 4.137 4.350 0.001 0.000 0.195 1012 E C 2.091 178.649 176.600 -0.070 0.000 0.990 1012 E CA 1.038 57.433 56.400 -0.008 0.000 0.821 1012 E CB 0.048 29.692 29.700 -0.092 0.000 0.750 1012 E HN 0.501 nan 8.360 nan 0.000 0.477 1013 K N 0.362 120.692 120.400 -0.116 0.000 2.166 1013 K HA 0.020 4.340 4.320 0.001 0.000 0.201 1013 K C 1.962 178.495 176.600 -0.112 0.000 1.052 1013 K CA 0.505 56.730 56.287 -0.103 0.000 0.969 1013 K CB 0.173 32.613 32.500 -0.100 0.000 0.761 1013 K HN -0.075 nan 8.250 nan 0.000 0.459 1014 K N 0.910 121.212 120.400 -0.162 0.000 2.167 1014 K HA 0.035 4.355 4.320 0.001 0.000 0.203 1014 K C 2.038 178.543 176.600 -0.158 0.000 1.052 1014 K CA 0.551 56.734 56.287 -0.173 0.000 0.956 1014 K CB 0.074 32.433 32.500 -0.235 0.000 0.735 1014 K HN 0.058 nan 8.250 nan 0.000 0.451 1015 L N 0.693 121.833 121.223 -0.139 0.000 2.093 1015 L HA -0.159 4.181 4.340 0.001 0.000 0.208 1015 L C 2.451 179.301 176.870 -0.033 0.000 1.085 1015 L CA 0.858 55.657 54.840 -0.068 0.000 0.755 1015 L CB -0.394 41.680 42.059 0.025 0.000 0.904 1015 L HN 0.193 nan 8.230 nan 0.000 0.435 1016 A N 0.028 122.824 122.820 -0.039 0.000 1.972 1016 A HA -0.215 4.105 4.320 0.001 0.000 0.219 1016 A C 1.927 179.490 177.584 -0.035 0.000 1.169 1016 A CA 1.882 53.900 52.037 -0.031 0.000 0.635 1016 A CB -0.449 18.528 19.000 -0.038 0.000 0.810 1016 A HN 0.464 nan 8.150 nan 0.000 0.446 1017 N N -0.341 118.329 118.700 -0.050 0.000 2.173 1017 N HA -0.075 4.665 4.740 0.001 0.000 0.184 1017 N C 1.574 177.059 175.510 -0.041 0.000 1.025 1017 N CA 1.278 54.300 53.050 -0.047 0.000 0.852 1017 N CB -0.625 37.827 38.487 -0.057 0.000 0.998 1017 N HN 0.394 nan 8.380 nan 0.000 0.427 1018 L N 1.481 122.675 121.223 -0.049 0.000 2.042 1018 L HA 0.008 4.348 4.340 0.001 0.000 0.210 1018 L C 1.888 178.750 176.870 -0.013 0.000 1.076 1018 L CA 1.315 56.136 54.840 -0.032 0.000 0.749 1018 L CB -0.626 41.412 42.059 -0.035 0.000 0.893 1018 L HN 0.102 nan 8.230 nan 0.000 0.432 1019 I N -0.186 120.378 120.570 -0.009 0.000 2.226 1019 I HA -0.304 3.866 4.170 0.001 0.000 0.245 1019 I C 2.424 178.533 176.117 -0.014 0.000 1.100 1019 I CA 1.506 62.803 61.300 -0.005 0.000 1.374 1019 I CB -0.613 37.389 38.000 0.003 0.000 1.057 1019 I HN 0.486 nan 8.210 nan 0.000 0.413 1020 N N 1.596 120.285 118.700 -0.019 0.000 2.120 1020 N HA -0.183 4.557 4.740 0.001 0.000 0.188 1020 N C 1.858 177.355 175.510 -0.022 0.000 1.024 1020 N CA 1.880 54.917 53.050 -0.021 0.000 0.852 1020 N CB 0.069 38.542 38.487 -0.023 0.000 1.003 1020 N HN 0.355 nan 8.380 nan 0.000 0.424 1021 A N 0.794 123.602 122.820 -0.021 0.000 1.929 1021 A HA -0.057 4.263 4.320 0.001 0.000 0.216 1021 A C 2.056 179.627 177.584 -0.021 0.000 1.176 1021 A CA 1.107 53.132 52.037 -0.020 0.000 0.628 1021 A CB -0.445 18.543 19.000 -0.019 0.000 0.816 1021 A HN 0.462 nan 8.150 nan 0.000 0.444 1022 E N -0.234 119.955 120.200 -0.019 0.000 2.204 1022 E HA -0.166 4.184 4.350 0.001 0.000 0.194 1022 E C 1.821 178.404 176.600 -0.029 0.000 0.989 1022 E CA 1.140 57.528 56.400 -0.021 0.000 0.824 1022 E CB -0.090 29.601 29.700 -0.015 0.000 0.756 1022 E HN 0.721 nan 8.360 nan 0.000 0.477 1023 E N 0.263 120.446 120.200 -0.029 0.000 2.216 1023 E HA -0.094 4.257 4.350 0.001 0.000 0.192 1023 E C 2.019 178.596 176.600 -0.039 0.000 0.988 1023 E CA 0.402 56.779 56.400 -0.037 0.000 0.834 1023 E CB 0.131 29.808 29.700 -0.038 0.000 0.772 1023 E HN 0.150 nan 8.360 nan 0.000 0.479 1024 R N 0.781 121.261 120.500 -0.032 0.000 2.062 1024 R HA -0.084 4.257 4.340 0.001 0.000 0.229 1024 R C 2.515 178.793 176.300 -0.037 0.000 1.128 1024 R CA 1.464 57.546 56.100 -0.031 0.000 0.960 1024 R CB -0.314 29.973 30.300 -0.022 0.000 0.855 1024 R HN 0.112 nan 8.270 nan 0.000 0.432 1025 R N 0.932 121.409 120.500 -0.038 0.000 2.120 1025 R HA -0.111 4.229 4.340 0.001 0.000 0.234 1025 R C 0.844 177.111 176.300 -0.055 0.000 1.123 1025 R CA 1.996 58.068 56.100 -0.047 0.000 0.975 1025 R CB -0.304 29.971 30.300 -0.042 0.000 0.866 1025 R HN 0.074 nan 8.270 nan 0.000 0.446 1026 D N 0.601 120.970 120.400 -0.051 0.000 2.178 1026 D HA -0.063 4.578 4.640 0.001 0.000 0.202 1026 D C 1.966 178.231 176.300 -0.058 0.000 0.974 1026 D CA 0.978 54.946 54.000 -0.055 0.000 0.841 1026 D CB 0.080 40.850 40.800 -0.050 0.000 0.953 1026 D HN 0.115 nan 8.370 nan 0.000 0.478 1027 V N 0.152 120.034 119.914 -0.055 0.000 2.453 1027 V HA -0.141 3.979 4.120 0.001 0.000 0.247 1027 V C 2.380 178.436 176.094 -0.063 0.000 1.048 1027 V CA 1.351 63.618 62.300 -0.055 0.000 1.049 1027 V CB -0.324 31.472 31.823 -0.045 0.000 0.672 1027 V HN 0.129 nan 8.190 nan 0.000 0.457 1028 S N 0.019 115.680 115.700 -0.065 0.000 2.368 1028 S HA -0.043 4.428 4.470 0.001 0.000 0.224 1028 S C 1.901 176.439 174.600 -0.103 0.000 1.029 1028 S CA 1.284 59.436 58.200 -0.081 0.000 0.988 1028 S CB -0.263 62.889 63.200 -0.080 0.000 0.838 1028 S HN 0.438 nan 8.310 nan 0.000 0.462 1029 L N 1.240 122.402 121.223 -0.101 0.000 2.093 1029 L HA -0.073 4.268 4.340 0.001 0.000 0.208 1029 L C 2.488 179.270 176.870 -0.148 0.000 1.085 1029 L CA 1.165 55.930 54.840 -0.124 0.000 0.755 1029 L CB -0.345 41.650 42.059 -0.107 0.000 0.904 1029 L HN 0.249 nan 8.230 nan 0.000 0.435 1030 K N 0.144 120.473 120.400 -0.119 0.000 2.097 1030 K HA -0.240 4.080 4.320 0.001 0.000 0.205 1030 K C 1.714 178.227 176.600 -0.146 0.000 1.050 1030 K CA 1.870 58.084 56.287 -0.122 0.000 0.938 1030 K CB 0.018 32.470 32.500 -0.079 0.000 0.718 1030 K HN 0.167 nan 8.250 nan 0.000 0.442 1031 D N -0.231 120.093 120.400 -0.126 0.000 2.194 1031 D HA -0.139 4.502 4.640 0.001 0.000 0.204 1031 D C 1.919 178.127 176.300 -0.153 0.000 0.964 1031 D CA 0.824 54.752 54.000 -0.121 0.000 0.846 1031 D CB -0.104 40.642 40.800 -0.089 0.000 0.962 1031 D HN 0.306 nan 8.370 nan 0.000 0.490 1032 C N -0.055 119.142 119.300 -0.172 0.000 2.446 1032 C HA 0.028 4.488 4.460 0.001 0.000 0.277 1032 C C 2.569 177.384 174.990 -0.293 0.000 1.275 1032 C CA 0.689 59.593 59.018 -0.191 0.000 1.727 1032 C CB -1.223 26.410 27.740 -0.179 0.000 2.010 1032 C HN 0.443 nan 8.230 nan 0.000 0.486 1033 M N 0.092 119.457 119.600 -0.391 0.000 2.229 1033 M HA -0.099 4.382 4.480 0.001 0.000 0.264 1033 M C 2.586 178.359 176.300 -0.877 0.000 1.063 1033 M CA 1.420 56.287 55.300 -0.722 0.000 1.114 1033 M CB -0.592 31.637 32.600 -0.618 0.000 1.387 1033 M HN 0.442 nan 8.290 nan 0.000 0.420 1034 R N 0.114 120.353 120.500 -0.434 0.000 2.066 1034 R HA -0.145 4.196 4.340 0.001 0.000 0.232 1034 R C 2.087 178.312 176.300 -0.125 0.000 1.131 1034 R CA 1.665 57.627 56.100 -0.230 0.000 0.955 1034 R CB -0.220 30.004 30.300 -0.126 0.000 0.851 1034 R HN 0.365 nan 8.270 nan 0.000 0.432 1035 R N 0.194 120.625 120.500 -0.114 0.000 2.105 1035 R HA -0.076 4.265 4.340 0.001 0.000 0.239 1035 R C 2.395 178.753 176.300 0.097 0.000 1.135 1035 R CA 1.289 57.398 56.100 0.016 0.000 0.967 1035 R CB -0.213 30.080 30.300 -0.011 0.000 0.861 1035 R HN 0.265 nan 8.270 nan 0.000 0.442 1036 L N -0.697 120.477 121.223 -0.082 0.000 2.027 1036 L HA -0.138 4.202 4.340 0.001 0.000 0.206 1036 L C 1.951 178.927 176.870 0.177 0.000 1.074 1036 L CA 1.052 55.917 54.840 0.042 0.000 0.745 1036 L CB -0.361 41.555 42.059 -0.238 0.000 0.898 1036 L HN 0.135 nan 8.230 nan 0.000 0.433 1037 F N -1.005 118.891 119.950 -0.090 0.000 2.216 1037 F HA -0.229 4.298 4.527 0.001 0.000 0.300 1037 F C 2.457 178.407 175.800 0.250 0.000 1.085 1037 F CA 0.538 58.514 58.000 -0.040 0.000 1.326 1037 F CB -1.318 37.600 39.000 -0.137 0.000 1.027 1037 F HN 0.056 nan 8.300 nan 0.000 0.497 1038 Y N 1.045 121.525 120.300 0.301 0.000 2.242 1038 Y HA -0.199 4.352 4.550 0.001 0.000 0.291 1038 Y C 2.410 178.525 175.900 0.357 0.000 1.137 1038 Y CA 1.773 60.034 58.100 0.268 0.000 1.181 1038 Y CB -0.695 37.856 38.460 0.151 0.000 0.989 1038 Y HN 0.090 nan 8.280 nan 0.000 0.527 1039 N N -0.565 118.365 118.700 0.384 0.000 2.188 1039 N HA -0.237 4.504 4.740 0.001 0.000 0.184 1039 N C 2.001 177.851 175.510 0.566 0.000 1.018 1039 N CA 1.288 54.575 53.050 0.394 0.000 0.858 1039 N CB -0.461 38.340 38.487 0.523 0.000 0.989 1039 N HN 0.445 nan 8.380 nan 0.000 0.426 1040 F N 2.017 122.342 119.950 0.624 0.000 2.134 1040 F HA -0.178 4.349 4.527 0.001 0.000 0.299 1040 F C 2.144 178.267 175.800 0.539 0.000 1.097 1040 F CA 1.658 60.039 58.000 0.634 0.000 1.264 1040 F CB -0.514 38.744 39.000 0.430 0.000 1.001 1040 F HN 0.018 nan 8.300 nan 0.000 0.479 1041 D N 0.270 120.972 120.400 0.503 0.000 2.182 1041 D HA -0.187 4.453 4.640 0.001 0.000 0.201 1041 D C 2.006 178.454 176.300 0.247 0.000 0.986 1041 D CA 1.097 55.320 54.000 0.372 0.000 0.847 1041 D CB -0.143 40.854 40.800 0.327 0.000 0.942 1041 D HN 0.127 nan 8.370 nan 0.000 0.467 1042 K N -0.033 120.411 120.400 0.073 0.000 2.218 1042 K HA -0.176 4.145 4.320 0.001 0.000 0.205 1042 K C 1.148 177.745 176.600 -0.006 0.000 1.046 1042 K CA 0.831 57.136 56.287 0.030 0.000 0.933 1042 K CB -0.339 32.137 32.500 -0.041 0.000 0.728 1042 K HN 0.160 nan 8.250 nan 0.000 0.454 1043 N N 0.735 119.364 118.700 -0.119 0.000 2.327 1043 N HA -0.030 4.711 4.740 0.001 0.000 0.231 1043 N C 1.027 176.150 175.510 -0.644 0.000 1.130 1043 N CA -0.237 52.488 53.050 -0.541 0.000 0.845 1043 N CB -0.177 37.782 38.487 -0.881 0.000 1.073 1043 N HN 0.230 nan 8.380 nan 0.000 0.496 1044 Y N -0.487 119.718 120.300 -0.159 0.000 2.193 1044 Y HA -0.174 4.377 4.550 0.001 0.000 0.285 1044 Y C 1.814 177.662 175.900 -0.086 0.000 1.166 1044 Y CA 1.259 59.359 58.100 -0.000 0.000 1.181 1044 Y CB -0.382 38.111 38.460 0.055 0.000 0.976 1044 Y HN -0.066 nan 8.280 nan 0.000 0.520 1045 K N 0.503 120.443 120.400 -0.766 0.000 1.991 1045 K HA -0.188 4.132 4.320 0.001 0.000 0.212 1045 K C 1.756 178.151 176.600 -0.341 0.000 1.049 1045 K CA 1.928 57.925 56.287 -0.484 0.000 0.932 1045 K CB -0.327 31.834 32.500 -0.565 0.000 0.717 1045 K HN 0.323 nan 8.250 nan 0.000 0.441 1046 D N -0.152 119.949 120.400 -0.499 0.000 2.087 1046 D HA -0.167 4.473 4.640 0.001 0.000 0.192 1046 D C 1.808 177.895 176.300 -0.354 0.000 0.993 1046 D CA 1.162 54.863 54.000 -0.500 0.000 0.828 1046 D CB -0.497 39.884 40.800 -0.699 0.000 0.968 1046 D HN 0.327 nan 8.370 nan 0.000 0.448 1047 W N 0.958 122.044 121.300 -0.356 0.000 2.302 1047 W HA -0.274 4.386 4.660 0.001 0.000 0.320 1047 W C 2.722 179.231 176.519 -0.016 0.000 1.241 1047 W CA 0.509 57.649 57.345 -0.342 0.000 1.264 1047 W CB -0.492 28.736 29.460 -0.386 0.000 1.154 1047 W HN 0.064 nan 8.180 nan 0.000 0.483 1048 Q N 1.198 121.115 119.800 0.195 0.000 2.020 1048 Q HA -0.207 4.133 4.340 0.001 0.000 0.202 1048 Q C 2.304 178.340 176.000 0.060 0.000 0.982 1048 Q CA 2.992 58.875 55.803 0.134 0.000 0.838 1048 Q CB -0.751 28.062 28.738 0.125 0.000 0.899 1048 Q HN 0.231 nan 8.270 nan 0.000 0.423 1049 S N -0.366 115.325 115.700 -0.014 0.000 2.399 1049 S HA -0.087 4.383 4.470 0.001 0.000 0.231 1049 S C 2.078 176.640 174.600 -0.064 0.000 1.022 1049 S CA 0.969 59.145 58.200 -0.041 0.000 0.983 1049 S CB -0.703 62.440 63.200 -0.095 0.000 0.803 1049 S HN 0.476 nan 8.310 nan 0.000 0.480 1050 A N 1.589 124.333 122.820 -0.128 0.000 1.902 1050 A HA 0.054 4.375 4.320 0.001 0.000 0.217 1050 A C 2.395 180.071 177.584 0.153 0.000 1.181 1050 A CA 1.644 53.582 52.037 -0.165 0.000 0.623 1050 A CB -1.069 17.882 19.000 -0.081 0.000 0.818 1050 A HN 0.449 nan 8.150 nan 0.000 0.443 1051 V N 0.146 120.122 119.914 0.104 0.000 2.427 1051 V HA -0.244 3.877 4.120 0.001 0.000 0.248 1051 V C 2.348 178.471 176.094 0.049 0.000 1.051 1051 V CA 2.177 64.431 62.300 -0.076 0.000 1.048 1051 V CB -0.823 30.825 31.823 -0.292 0.000 0.666 1051 V HN 0.639 nan 8.190 nan 0.000 0.456 1052 E N -0.814 119.440 120.200 0.089 0.000 2.106 1052 E HA -0.201 4.149 4.350 0.001 0.000 0.192 1052 E C 2.288 179.001 176.600 0.188 0.000 0.984 1052 E CA 1.580 58.065 56.400 0.141 0.000 0.806 1052 E CB -0.294 29.477 29.700 0.119 0.000 0.750 1052 E HN 0.589 nan 8.360 nan 0.000 0.458 1053 C N 0.796 120.223 119.300 0.212 0.000 2.432 1053 C HA -0.103 4.358 4.460 0.001 0.000 0.277 1053 C C 2.528 177.674 174.990 0.261 0.000 1.249 1053 C CA 0.423 59.603 59.018 0.270 0.000 1.725 1053 C CB -0.657 27.343 27.740 0.434 0.000 2.028 1053 C HN 0.406 nan 8.230 nan 0.000 0.477 1054 I N 1.035 121.791 120.570 0.310 0.000 2.928 1054 I HA -0.098 4.072 4.170 0.001 0.000 0.266 1054 I C 2.607 178.880 176.117 0.259 0.000 1.234 1054 I CA 1.033 62.507 61.300 0.290 0.000 1.483 1054 I CB -0.503 37.715 38.000 0.363 0.000 1.097 1054 I HN 0.279 nan 8.210 nan 0.000 0.455 1055 A N 0.728 123.732 122.820 0.306 0.000 1.897 1055 A HA -0.101 4.220 4.320 0.001 0.000 0.215 1055 A C 2.399 179.982 177.584 -0.003 0.000 1.181 1055 A CA 1.238 53.397 52.037 0.204 0.000 0.620 1055 A CB -0.714 18.451 19.000 0.274 0.000 0.821 1055 A HN 0.203 nan 8.150 nan 0.000 0.443 1056 V N -0.193 119.752 119.914 0.052 0.000 2.295 1056 V HA -0.224 3.896 4.120 0.001 0.000 0.246 1056 V C 2.498 178.579 176.094 -0.022 0.000 1.049 1056 V CA 1.938 64.244 62.300 0.011 0.000 1.024 1056 V CB -0.807 31.120 31.823 0.173 0.000 0.648 1056 V HN 0.582 nan 8.190 nan 0.000 0.447 1057 L N 0.587 121.833 121.223 0.037 0.000 2.083 1057 L HA -0.183 4.157 4.340 0.001 0.000 0.209 1057 L C 2.090 178.941 176.870 -0.032 0.000 1.083 1057 L CA 2.371 57.221 54.840 0.016 0.000 0.752 1057 L CB -0.771 41.316 42.059 0.046 0.000 0.899 1057 L HN 0.389 nan 8.230 nan 0.000 0.433 1058 D N -1.112 119.255 120.400 -0.054 0.000 2.097 1058 D HA -0.162 4.478 4.640 0.001 0.000 0.195 1058 D C 2.141 178.347 176.300 -0.157 0.000 0.989 1058 D CA 1.608 55.551 54.000 -0.095 0.000 0.827 1058 D CB -0.041 40.666 40.800 -0.155 0.000 0.966 1058 D HN 0.205 nan 8.370 nan 0.000 0.456 1059 V N 0.681 120.445 119.914 -0.250 0.000 2.295 1059 V HA -0.226 3.894 4.120 0.001 0.000 0.246 1059 V C 2.771 178.730 176.094 -0.226 0.000 1.049 1059 V CA 1.300 63.387 62.300 -0.356 0.000 1.024 1059 V CB -0.557 30.805 31.823 -0.768 0.000 0.648 1059 V HN 0.283 nan 8.190 nan 0.000 0.447 1060 L N -0.747 120.385 121.223 -0.152 0.000 2.042 1060 L HA -0.227 4.113 4.340 0.001 0.000 0.210 1060 L C 2.439 179.286 176.870 -0.038 0.000 1.076 1060 L CA 1.610 56.434 54.840 -0.027 0.000 0.749 1060 L CB -0.584 41.484 42.059 0.016 0.000 0.893 1060 L HN 0.305 nan 8.230 nan 0.000 0.432 1061 L N -1.078 120.114 121.223 -0.051 0.000 2.083 1061 L HA -0.289 4.051 4.340 0.001 0.000 0.209 1061 L C 2.894 179.744 176.870 -0.032 0.000 1.083 1061 L CA 1.176 55.997 54.840 -0.033 0.000 0.752 1061 L CB -0.657 41.400 42.059 -0.004 0.000 0.899 1061 L HN 0.493 nan 8.230 nan 0.000 0.433 1062 C N 0.333 119.593 119.300 -0.067 0.000 2.432 1062 C HA -0.155 4.305 4.460 0.001 0.000 0.277 1062 C C 2.728 177.704 174.990 -0.024 0.000 1.249 1062 C CA 0.746 59.716 59.018 -0.080 0.000 1.725 1062 C CB -0.751 26.903 27.740 -0.143 0.000 2.028 1062 C HN 0.430 nan 8.230 nan 0.000 0.477 1063 L N 1.081 122.293 121.223 -0.018 0.000 2.093 1063 L HA -0.024 4.317 4.340 0.001 0.000 0.208 1063 L C 3.037 179.940 176.870 0.055 0.000 1.085 1063 L CA 1.498 56.361 54.840 0.038 0.000 0.755 1063 L CB -0.755 41.342 42.059 0.064 0.000 0.904 1063 L HN 0.436 nan 8.230 nan 0.000 0.435 1064 A N -0.026 122.794 122.820 0.001 0.000 1.933 1064 A HA -0.251 4.069 4.320 0.001 0.000 0.218 1064 A C 2.126 179.678 177.584 -0.054 0.000 1.175 1064 A CA 1.975 53.982 52.037 -0.051 0.000 0.628 1064 A CB -0.808 18.154 19.000 -0.065 0.000 0.814 1064 A HN 0.544 nan 8.150 nan 0.000 0.444 1065 N N -1.984 116.709 118.700 -0.013 0.000 2.188 1065 N HA -0.195 4.545 4.740 0.001 0.000 0.184 1065 N C 1.739 177.252 175.510 0.006 0.000 1.018 1065 N CA 1.431 54.475 53.050 -0.010 0.000 0.858 1065 N CB -0.210 38.280 38.487 0.005 0.000 0.989 1065 N HN 0.594 nan 8.380 nan 0.000 0.426 1066 Y N 1.426 121.684 120.300 -0.071 0.000 2.263 1066 Y HA 0.024 4.574 4.550 0.001 0.000 0.292 1066 Y C 2.262 178.123 175.900 -0.065 0.000 1.130 1066 Y CA 1.287 59.354 58.100 -0.056 0.000 1.179 1066 Y CB -0.239 38.198 38.460 -0.038 0.000 0.998 1066 Y HN -0.007 nan 8.280 nan 0.000 0.532 1067 S N 0.145 115.847 115.700 0.004 0.000 2.603 1067 S HA -0.058 4.412 4.470 0.001 0.000 0.229 1067 S C 1.749 176.167 174.600 -0.304 0.000 0.972 1067 S CA 0.607 58.693 58.200 -0.192 0.000 0.935 1067 S CB -0.283 62.682 63.200 -0.393 0.000 0.769 1067 S HN 0.413 nan 8.310 nan 0.000 0.536 1068 R N 0.607 120.980 120.500 -0.212 0.000 2.161 1068 R HA 0.184 4.525 4.340 0.001 0.000 0.213 1068 R C 1.643 177.852 176.300 -0.152 0.000 1.055 1068 R CA 0.859 56.857 56.100 -0.170 0.000 0.996 1068 R CB -0.127 30.102 30.300 -0.117 0.000 0.901 1068 R HN 0.429 nan 8.270 nan 0.000 0.456 1069 G N -1.754 106.925 108.800 -0.203 0.000 2.588 1069 G HA2 -0.202 3.758 3.960 0.001 0.000 0.273 1069 G HA3 -0.202 3.758 3.960 0.001 0.000 0.273 1069 G C 0.724 175.539 174.900 -0.142 0.000 1.211 1069 G CA -0.030 44.955 45.100 -0.192 0.000 0.958 1069 G HN 0.829 nan 8.290 nan 0.000 0.543 1070 G N -0.687 108.058 108.800 -0.092 0.000 3.597 1070 G HA2 -0.123 3.838 3.960 0.001 0.000 0.202 1070 G HA3 -0.123 3.838 3.960 0.001 0.000 0.202 1070 G C -0.076 174.793 174.900 -0.052 0.000 1.702 1070 G CA 0.955 46.016 45.100 -0.065 0.000 1.354 1070 G HN 1.547 nan 8.290 nan 0.000 0.609 1071 D N 2.978 123.340 120.400 -0.063 0.000 2.295 1071 D HA 0.513 5.153 4.640 0.001 0.000 0.248 1071 D C 1.076 177.352 176.300 -0.041 0.000 1.154 1071 D CA 1.307 55.281 54.000 -0.043 0.000 0.857 1071 D CB 0.714 41.486 40.800 -0.046 0.000 1.117 1071 D HN 1.567 nan 8.370 nan 0.000 0.468 1072 G N 3.421 112.212 108.800 -0.014 0.000 2.915 1072 G HA2 -0.179 3.781 3.960 0.001 0.000 0.337 1072 G HA3 -0.179 3.781 3.960 0.001 0.000 0.337 1072 G C -2.693 172.205 174.900 -0.003 0.000 1.477 1072 G CA -1.097 44.004 45.100 0.001 0.000 0.916 1072 G HN 0.412 nan 8.290 nan 0.000 0.550 1073 P HA 0.614 nan 4.420 nan 0.000 0.278 1073 P C -0.196 177.123 177.300 0.032 0.000 1.238 1073 P CA -0.398 62.717 63.100 0.025 0.000 0.794 1073 P CB 0.881 32.602 31.700 0.035 0.000 0.955 1074 M N 1.552 121.188 119.600 0.060 0.000 2.530 1074 M HA 0.492 4.972 4.480 0.001 0.000 0.307 1074 M C -0.417 175.980 176.300 0.160 0.000 1.161 1074 M CA -0.680 54.696 55.300 0.126 0.000 0.903 1074 M CB 1.598 34.291 32.600 0.156 0.000 1.711 1074 M HN 0.633 nan 8.290 nan 0.000 0.451 1075 C N 0.804 120.158 119.300 0.090 0.000 3.170 1075 C HA 0.737 5.197 4.460 0.001 0.000 0.319 1075 C C -0.439 174.197 174.990 -0.589 0.000 1.260 1075 C CA -1.189 57.749 59.018 -0.133 0.000 1.374 1075 C CB 2.115 29.813 27.740 -0.071 0.000 1.739 1075 C HN 1.054 nan 8.230 nan 0.000 0.479 1076 R N 2.778 122.782 120.500 -0.827 0.000 2.316 1076 R HA 0.476 4.817 4.340 0.001 0.000 0.314 1076 R C -2.128 173.961 176.300 -0.353 0.000 1.069 1076 R CA -0.528 55.056 56.100 -0.860 0.000 0.959 1076 R CB 0.651 30.597 30.300 -0.590 0.000 0.987 1076 R HN 0.712 nan 8.270 nan 0.000 0.446 1077 P HA 0.020 nan 4.420 nan 0.000 0.271 1077 P C -0.845 176.405 177.300 -0.082 0.000 1.216 1077 P CA -0.192 62.834 63.100 -0.123 0.000 0.771 1077 P CB 1.206 32.855 31.700 -0.086 0.000 0.864 1078 V N 5.280 125.167 119.914 -0.044 0.000 2.427 1078 V HA 0.367 4.488 4.120 0.001 0.000 0.286 1078 V C 0.612 176.702 176.094 -0.005 0.000 1.034 1078 V CA -0.492 61.802 62.300 -0.011 0.000 0.893 1078 V CB 1.141 32.974 31.823 0.016 0.000 0.982 1078 V HN 0.406 nan 8.190 nan 0.000 0.452 1079 I N 5.946 126.521 120.570 0.008 0.000 2.436 1079 I HA 0.488 4.658 4.170 0.001 0.000 0.289 1079 I C -0.644 175.473 176.117 0.001 0.000 1.010 1079 I CA -0.407 60.891 61.300 -0.004 0.000 1.098 1079 I CB 1.792 39.800 38.000 0.012 0.000 1.266 1079 I HN 0.359 nan 8.210 nan 0.000 0.434 1080 L N 5.921 127.136 121.223 -0.013 0.000 2.322 1080 L HA 0.565 4.906 4.340 0.001 0.000 0.269 1080 L C -0.360 176.493 176.870 -0.029 0.000 1.012 1080 L CA -0.960 53.878 54.840 -0.003 0.000 0.815 1080 L CB 1.848 43.975 42.059 0.113 0.000 1.295 1080 L HN 0.387 nan 8.230 nan 0.000 0.438 1081 L N 2.412 123.600 121.223 -0.059 0.000 2.380 1081 L HA 0.162 4.502 4.340 0.001 0.000 0.273 1081 L C -1.445 175.452 176.870 0.045 0.000 1.138 1081 L CA -1.354 53.462 54.840 -0.039 0.000 0.832 1081 L CB 1.073 43.086 42.059 -0.077 0.000 1.124 1081 L HN 0.393 nan 8.230 nan 0.000 0.454 1082 P HA -0.138 nan 4.420 nan 0.000 0.230 1082 P C 0.935 178.311 177.300 0.127 0.000 1.158 1082 P CA 0.493 63.684 63.100 0.153 0.000 0.769 1082 P CB 0.309 32.156 31.700 0.245 0.000 0.807 1083 E N 0.473 120.719 120.200 0.077 0.000 2.046 1083 E HA -0.167 4.183 4.350 0.001 0.000 0.190 1083 E C 1.503 178.136 176.600 0.055 0.000 0.982 1083 E CA 1.582 58.018 56.400 0.059 0.000 0.800 1083 E CB -0.852 28.869 29.700 0.035 0.000 0.756 1083 E HN 0.081 nan 8.360 nan 0.000 0.449 1084 D N -0.300 120.130 120.400 0.050 0.000 2.120 1084 D HA -0.017 4.623 4.640 0.001 0.000 0.202 1084 D C 0.644 176.983 176.300 0.065 0.000 0.972 1084 D CA 1.657 55.685 54.000 0.047 0.000 0.837 1084 D CB -0.142 40.678 40.800 0.034 0.000 0.989 1084 D HN 0.378 nan 8.370 nan 0.000 0.469 1085 T N -1.308 113.307 114.554 0.103 0.000 2.924 1085 T HA 0.540 4.890 4.350 0.001 0.000 0.291 1085 T C -2.872 171.930 174.700 0.169 0.000 1.045 1085 T CA -1.897 60.280 62.100 0.129 0.000 1.015 1085 T CB 2.713 71.693 68.868 0.186 0.000 1.103 1085 T HN -0.248 nan 8.240 nan 0.000 0.496 1086 P HA 0.341 nan 4.420 nan 0.000 0.276 1086 P C -2.678 174.805 177.300 0.306 0.000 1.244 1086 P CA -1.790 61.426 63.100 0.194 0.000 0.801 1086 P CB -0.585 31.232 31.700 0.195 0.000 1.006 1087 P HA 0.077 nan 4.420 nan 0.000 0.265 1087 P C -0.686 176.838 177.300 0.373 0.000 1.193 1087 P CA 0.797 64.020 63.100 0.207 0.000 0.765 1087 P CB -0.148 31.567 31.700 0.025 0.000 0.823 1088 F N 1.637 121.650 119.950 0.104 0.000 2.817 1088 F HA 0.709 5.237 4.527 0.001 0.000 0.317 1088 F C -2.491 173.351 175.800 0.069 0.000 1.168 1088 F CA -1.474 56.581 58.000 0.091 0.000 0.911 1088 F CB 0.985 40.023 39.000 0.064 0.000 1.337 1088 F HN 0.195 nan 8.300 nan 0.000 0.464 1089 L N 1.850 123.169 121.223 0.159 0.000 2.470 1089 L HA 0.559 4.899 4.340 0.001 0.000 0.268 1089 L C -1.462 175.542 176.870 0.223 0.000 0.964 1089 L CA -0.194 54.670 54.840 0.039 0.000 0.839 1089 L CB 2.096 44.177 42.059 0.035 0.000 1.276 1089 L HN 0.860 nan 8.230 nan 0.000 0.403 1090 E N 5.540 125.860 120.200 0.199 0.000 2.331 1090 E HA 0.477 4.827 4.350 0.001 0.000 0.243 1090 E C -1.857 174.813 176.600 0.117 0.000 0.925 1090 E CA -0.387 56.139 56.400 0.210 0.000 0.760 1090 E CB 0.891 30.771 29.700 0.300 0.000 1.254 1090 E HN 0.686 nan 8.360 nan 0.000 0.419 1091 L N 4.495 125.776 121.223 0.097 0.000 2.325 1091 L HA 0.526 4.866 4.340 0.001 0.000 0.281 1091 L C -0.466 176.452 176.870 0.080 0.000 1.004 1091 L CA -0.618 54.266 54.840 0.073 0.000 0.823 1091 L CB 1.566 43.659 42.059 0.057 0.000 1.236 1091 L HN 0.313 nan 8.230 nan 0.000 0.415 1092 K N 2.199 122.640 120.400 0.069 0.000 2.426 1092 K HA 0.509 4.830 4.320 0.001 0.000 0.254 1092 K C 0.366 177.004 176.600 0.063 0.000 0.936 1092 K CA -0.514 55.813 56.287 0.067 0.000 0.801 1092 K CB 2.026 34.560 32.500 0.057 0.000 1.139 1092 K HN 0.758 nan 8.250 nan 0.000 0.424 1093 G N 1.981 110.824 108.800 0.071 0.000 2.246 1093 G HA2 -0.286 3.674 3.960 0.001 0.000 0.273 1093 G HA3 -0.286 3.674 3.960 0.001 0.000 0.273 1093 G C -0.030 174.920 174.900 0.084 0.000 1.055 1093 G CA 0.632 45.775 45.100 0.072 0.000 0.851 1093 G HN 0.606 nan 8.290 nan 0.000 0.500 1094 S N -1.005 114.752 115.700 0.094 0.000 2.586 1094 S HA 0.837 5.307 4.470 0.001 0.000 0.274 1094 S C 0.304 175.000 174.600 0.160 0.000 1.281 1094 S CA -0.610 57.650 58.200 0.100 0.000 1.035 1094 S CB 2.180 65.426 63.200 0.077 0.000 0.962 1094 S HN 0.611 nan 8.310 nan 0.000 0.512 1095 R N 0.255 120.842 120.500 0.145 0.000 2.854 1095 R HA 0.386 4.726 4.340 0.001 0.000 0.271 1095 R C -0.537 175.790 176.300 0.045 0.000 0.996 1095 R CA -0.871 55.346 56.100 0.195 0.000 0.961 1095 R CB 0.917 31.276 30.300 0.098 0.000 1.182 1095 R HN 0.783 nan 8.270 nan 0.000 0.479 1096 H N 3.120 122.036 119.070 -0.257 0.000 2.848 1096 H HA 0.066 4.622 4.556 0.001 0.000 0.317 1096 H C -1.686 173.474 175.328 -0.281 0.000 1.046 1096 H CA -1.457 54.413 56.048 -0.297 0.000 1.470 1096 H CB 1.362 30.822 29.762 -0.503 0.000 1.483 1096 H HN 0.292 nan 8.280 nan 0.000 0.548 1097 P HA -0.116 nan 4.420 nan 0.000 0.220 1097 P C 0.083 177.378 177.300 -0.008 0.000 1.144 1097 P CA 1.087 64.127 63.100 -0.099 0.000 0.800 1097 P CB 0.200 31.812 31.700 -0.146 0.000 0.772 1106 D N 0.543 120.942 120.400 -0.002 0.000 2.602 1106 D HA 0.424 5.064 4.640 0.001 0.000 0.228 1106 D C -0.954 175.358 176.300 0.020 0.000 1.202 1106 D CA -0.330 53.672 54.000 0.004 0.000 1.084 1106 D CB 0.049 40.847 40.800 -0.003 0.000 1.204 1106 D HN 0.119 nan 8.370 nan 0.000 0.629 1107 D N 0.686 121.094 120.400 0.012 0.000 2.342 1107 D HA 0.098 4.738 4.640 0.001 0.000 0.260 1107 D C -0.539 175.770 176.300 0.015 0.000 1.278 1107 D CA -0.001 54.015 54.000 0.026 0.000 0.910 1107 D CB -0.458 40.350 40.800 0.015 0.000 1.079 1107 D HN 0.087 nan 8.370 nan 0.000 0.496 1108 F N 3.407 123.314 119.950 -0.072 0.000 2.438 1108 F HA 0.235 4.762 4.527 0.001 0.000 0.360 1108 F C 0.350 176.120 175.800 -0.050 0.000 1.118 1108 F CA -0.696 57.248 58.000 -0.094 0.000 1.164 1108 F CB 0.151 39.108 39.000 -0.072 0.000 1.131 1108 F HN 0.224 nan 8.300 nan 0.000 0.527 1109 I N 8.918 129.211 120.570 -0.463 0.000 2.517 1109 I HA 0.116 4.286 4.170 0.001 0.000 0.285 1109 I C -1.918 174.040 176.117 -0.265 0.000 1.106 1109 I CA -1.706 59.438 61.300 -0.260 0.000 1.402 1109 I CB 0.141 38.043 38.000 -0.164 0.000 1.399 1109 I HN 0.453 nan 8.210 nan 0.000 0.535 1110 P HA 0.217 nan 4.420 nan 0.000 0.274 1110 P C -0.970 176.364 177.300 0.056 0.000 1.237 1110 P CA -0.337 62.813 63.100 0.084 0.000 0.793 1110 P CB 0.643 32.405 31.700 0.104 0.000 0.977 1111 N N 0.612 119.371 118.700 0.098 0.000 2.357 1111 N HA 0.312 5.053 4.740 0.001 0.000 0.284 1111 N C -1.461 174.122 175.510 0.120 0.000 1.236 1111 N CA -0.474 52.641 53.050 0.108 0.000 0.774 1111 N CB 1.302 39.858 38.487 0.115 0.000 1.534 1111 N HN 0.272 nan 8.380 nan 0.000 0.478 1112 D N 0.930 121.420 120.400 0.150 0.000 2.280 1112 D HA 0.443 5.083 4.640 0.001 0.000 0.236 1112 D C -0.194 176.239 176.300 0.221 0.000 1.082 1112 D CA -0.050 54.039 54.000 0.148 0.000 0.834 1112 D CB 1.214 42.085 40.800 0.118 0.000 1.100 1112 D HN 0.311 nan 8.370 nan 0.000 0.486 1113 I N 3.245 123.906 120.570 0.152 0.000 2.388 1113 I HA 0.233 4.403 4.170 0.001 0.000 0.281 1113 I C -0.528 175.677 176.117 0.147 0.000 1.046 1113 I CA -0.492 60.889 61.300 0.134 0.000 1.187 1113 I CB 0.717 38.721 38.000 0.007 0.000 1.351 1113 I HN 0.110 nan 8.210 nan 0.000 0.472 1114 L N 7.484 128.828 121.223 0.202 0.000 2.276 1114 L HA 0.595 4.935 4.340 0.001 0.000 0.286 1114 L C -0.473 176.491 176.870 0.156 0.000 1.024 1114 L CA -0.398 54.537 54.840 0.158 0.000 0.826 1114 L CB 1.313 43.445 42.059 0.122 0.000 1.211 1114 L HN 0.492 nan 8.230 nan 0.000 0.422 1115 I N 2.753 123.413 120.570 0.150 0.000 2.418 1115 I HA 0.502 4.672 4.170 0.001 0.000 0.287 1115 I C 0.938 177.150 176.117 0.159 0.000 1.008 1115 I CA -0.258 61.126 61.300 0.140 0.000 1.104 1115 I CB 1.704 39.785 38.000 0.136 0.000 1.264 1115 I HN 0.837 nan 8.210 nan 0.000 0.438 1116 G N 4.193 113.032 108.800 0.065 0.000 5.426 1116 G HA2 -0.368 3.592 3.960 0.001 0.000 0.297 1116 G HA3 -0.368 3.592 3.960 0.001 0.000 0.297 1116 G C 0.814 175.694 174.900 -0.032 0.000 1.422 1116 G CA 0.138 45.231 45.100 -0.011 0.000 0.938 1116 G HN 0.741 nan 8.290 nan 0.000 0.754 1117 C N 1.905 121.243 119.300 0.062 0.000 4.191 1117 C HA -0.121 4.339 4.460 0.001 0.000 0.287 1117 C C 0.852 175.648 174.990 -0.324 0.000 1.494 1117 C CA 1.368 60.289 59.018 -0.162 0.000 1.999 1117 C CB -2.274 25.431 27.740 -0.059 0.000 1.363 1117 C HN 0.758 nan 8.230 nan 0.000 0.788 1118 E N -0.400 119.651 120.200 -0.248 0.000 2.313 1118 E HA 0.311 4.662 4.350 0.001 0.000 0.276 1118 E C 0.872 177.285 176.600 -0.313 0.000 1.031 1118 E CA 0.012 56.285 56.400 -0.212 0.000 0.857 1118 E CB 0.974 30.611 29.700 -0.105 0.000 1.040 1118 E HN 0.611 nan 8.360 nan 0.000 0.408 1119 E N 1.882 121.930 120.200 -0.254 0.000 2.713 1119 E HA -0.001 4.349 4.350 0.001 0.000 0.201 1119 E C -0.486 176.059 176.600 -0.091 0.000 0.935 1119 E CA -0.030 56.228 56.400 -0.236 0.000 1.273 1119 E CB 0.580 30.093 29.700 -0.311 0.000 1.221 1119 E HN 0.404 nan 8.360 nan 0.000 0.547 1120 E N 3.580 123.734 120.200 -0.076 0.000 1.858 1120 E HA -0.027 4.324 4.350 0.001 0.000 0.267 1120 E C -0.232 176.354 176.600 -0.023 0.000 1.215 1120 E CA -0.007 56.371 56.400 -0.037 0.000 0.952 1120 E CB 0.181 29.861 29.700 -0.034 0.000 1.058 1120 E HN 0.245 nan 8.360 nan 0.000 0.407 1121 E N 2.774 122.972 120.200 -0.003 0.000 3.642 1121 E HA -0.373 3.977 4.350 0.001 0.000 0.245 1121 E C -0.433 176.175 176.600 0.015 0.000 1.486 1121 E CA 1.213 57.621 56.400 0.013 0.000 2.265 1121 E CB -0.603 29.106 29.700 0.014 0.000 2.084 1121 E HN 0.623 nan 8.360 nan 0.000 0.472 1122 Q N 0.778 120.594 119.800 0.026 0.000 2.831 1122 Q HA 0.556 4.896 4.340 0.001 0.000 0.366 1122 Q C -0.272 175.740 176.000 0.020 0.000 0.899 1122 Q CA -0.275 55.549 55.803 0.035 0.000 0.987 1122 Q CB 0.559 29.346 28.738 0.082 0.000 1.382 1122 Q HN 0.511 nan 8.270 nan 0.000 0.403 1123 E N 0.386 120.586 120.200 -0.001 0.000 2.759 1123 E HA 0.152 4.502 4.350 0.001 0.000 0.220 1123 E C -0.385 176.204 176.600 -0.018 0.000 0.974 1123 E CA -0.309 56.089 56.400 -0.004 0.000 1.148 1123 E CB 0.637 30.336 29.700 -0.002 0.000 1.059 1123 E HN 0.433 nan 8.360 nan 0.000 0.493 1127 A N 1.125 123.699 122.820 -0.411 0.000 2.514 1127 A HA -0.051 4.269 4.320 0.001 0.000 0.290 1127 A C 0.409 177.817 177.584 -0.294 0.000 1.435 1127 A CA 1.444 53.331 52.037 -0.249 0.000 0.728 1127 A CB -2.432 16.483 19.000 -0.142 0.000 1.128 1127 A HN 1.799 nan 8.150 nan 0.000 0.394 1128 Y N -1.036 119.285 120.300 0.034 0.000 2.441 1128 Y HA 0.216 4.766 4.550 0.001 0.000 0.288 1128 Y C 1.915 177.836 175.900 0.036 0.000 1.118 1128 Y CA 0.600 58.723 58.100 0.038 0.000 1.215 1128 Y CB 0.137 38.610 38.460 0.020 0.000 1.118 1128 Y HN 0.895 nan 8.280 nan 0.000 0.547 1129 C N 2.957 122.361 119.300 0.175 0.000 2.227 1129 C HA 0.620 5.081 4.460 0.001 0.000 0.333 1129 C C 0.041 175.073 174.990 0.069 0.000 1.145 1129 C CA -0.945 58.127 59.018 0.091 0.000 1.643 1129 C CB -1.762 25.985 27.740 0.011 0.000 2.185 1129 C HN 0.084 nan 8.230 nan 0.000 0.497 1130 V N 8.640 128.620 119.914 0.110 0.000 2.385 1130 V HA 0.277 4.397 4.120 0.001 0.000 0.269 1130 V C 0.346 176.538 176.094 0.163 0.000 1.043 1130 V CA -0.182 62.203 62.300 0.142 0.000 0.906 1130 V CB 0.993 32.938 31.823 0.204 0.000 0.995 1130 V HN 0.713 nan 8.190 nan 0.000 0.467 1131 L N 5.695 127.002 121.223 0.140 0.000 2.290 1131 L HA 0.468 4.808 4.340 0.001 0.000 0.284 1131 L C -0.348 176.655 176.870 0.221 0.000 1.078 1131 L CA -0.357 54.583 54.840 0.165 0.000 0.815 1131 L CB 1.409 43.526 42.059 0.096 0.000 1.162 1131 L HN 0.368 nan 8.230 nan 0.000 0.435 1132 V N 2.310 122.364 119.914 0.232 0.000 2.384 1132 V HA 0.504 4.625 4.120 0.001 0.000 0.287 1132 V C 0.220 176.412 176.094 0.163 0.000 1.020 1132 V CA -0.460 61.992 62.300 0.253 0.000 0.850 1132 V CB 1.793 33.740 31.823 0.207 0.000 0.987 1132 V HN 0.908 nan 8.190 nan 0.000 0.436 1133 T N 1.062 115.723 114.554 0.179 0.000 2.916 1133 T HA 0.983 5.333 4.350 0.001 0.000 0.292 1133 T C -0.101 174.671 174.700 0.121 0.000 1.055 1133 T CA -0.382 61.774 62.100 0.094 0.000 1.009 1133 T CB 2.242 71.177 68.868 0.111 0.000 1.118 1133 T HN 1.417 nan 8.240 nan 0.000 0.497 1134 G N 1.033 109.855 108.800 0.037 0.000 2.328 1134 G HA2 0.519 4.480 3.960 0.001 0.000 0.299 1134 G HA3 0.519 4.480 3.960 0.001 0.000 0.299 1134 G C -3.462 171.481 174.900 0.071 0.000 1.435 1134 G CA -0.920 44.233 45.100 0.088 0.000 0.865 1134 G HN 0.741 nan 8.290 nan 0.000 0.601 1135 P HA 0.344 nan 4.420 nan 0.000 0.279 1135 P C -0.524 176.845 177.300 0.115 0.000 1.276 1135 P CA -0.690 62.510 63.100 0.167 0.000 0.801 1135 P CB 0.802 32.581 31.700 0.133 0.000 1.127 1136 N N 0.349 119.118 118.700 0.115 0.000 2.508 1136 N HA 0.188 4.928 4.740 0.001 0.000 0.264 1136 N C 0.910 176.352 175.510 -0.114 0.000 1.216 1136 N CA 0.078 53.142 53.050 0.023 0.000 0.943 1136 N CB -0.220 38.285 38.487 0.029 0.000 1.113 1136 N HN 0.590 nan 8.380 nan 0.000 0.447 1137 M N -0.348 119.122 119.600 -0.215 0.000 2.979 1137 M HA -0.181 4.300 4.480 0.001 0.000 0.202 1137 M C 0.961 176.790 176.300 -0.785 0.000 0.602 1137 M CA 1.689 56.719 55.300 -0.449 0.000 0.774 1137 M CB -1.495 30.785 32.600 -0.533 0.000 2.769 1137 M HN 0.624 nan 8.290 nan 0.000 0.294 1138 G N -0.568 107.919 108.800 -0.521 0.000 2.402 1138 G HA2 0.325 4.285 3.960 0.001 0.000 0.216 1138 G HA3 0.325 4.285 3.960 0.001 0.000 0.216 1138 G C 1.416 176.227 174.900 -0.149 0.000 1.162 1138 G CA 1.019 45.893 45.100 -0.378 0.000 0.777 1138 G HN 1.777 nan 8.290 nan 0.000 0.539 1139 G N -0.739 108.044 108.800 -0.028 0.000 2.147 1139 G HA2 -0.158 3.803 3.960 0.001 0.000 0.128 1139 G HA3 -0.158 3.803 3.960 0.001 0.000 0.128 1139 G C 0.911 175.832 174.900 0.035 0.000 1.026 1139 G CA 0.611 45.753 45.100 0.071 0.000 0.693 1139 G HN 0.495 nan 8.290 nan 0.000 0.499 1140 K N 0.611 121.016 120.400 0.009 0.000 2.001 1140 K HA -0.005 4.316 4.320 0.001 0.000 0.208 1140 K C 2.638 179.226 176.600 -0.021 0.000 1.048 1140 K CA 1.733 58.018 56.287 -0.004 0.000 0.932 1140 K CB -0.247 32.245 32.500 -0.013 0.000 0.715 1140 K HN 0.273 nan 8.250 nan 0.000 0.437 1141 S N 0.652 116.343 115.700 -0.015 0.000 2.356 1141 S HA -0.137 4.333 4.470 0.001 0.000 0.223 1141 S C 2.093 176.698 174.600 0.008 0.000 1.032 1141 S CA 1.813 60.005 58.200 -0.014 0.000 1.005 1141 S CB -0.491 62.701 63.200 -0.014 0.000 0.867 1141 S HN 0.332 nan 8.310 nan 0.000 0.449 1142 T N 2.752 117.322 114.554 0.026 0.000 2.759 1142 T HA -0.086 4.265 4.350 0.001 0.000 0.269 1142 T C 1.769 176.540 174.700 0.118 0.000 1.042 1142 T CA 1.225 63.373 62.100 0.079 0.000 1.140 1142 T CB -0.480 68.435 68.868 0.078 0.000 0.864 1142 T HN 0.206 nan 8.240 nan 0.000 0.455 1143 L N 0.677 121.923 121.223 0.039 0.000 1.994 1143 L HA -0.007 4.333 4.340 0.001 0.000 0.208 1143 L C 2.360 179.195 176.870 -0.058 0.000 1.071 1143 L CA 1.830 56.651 54.840 -0.031 0.000 0.745 1143 L CB -0.457 41.502 42.059 -0.166 0.000 0.892 1143 L HN 0.240 nan 8.230 nan 0.000 0.431 1144 M N -1.331 118.230 119.600 -0.064 0.000 2.229 1144 M HA -0.157 4.323 4.480 0.001 0.000 0.264 1144 M C 2.434 178.722 176.300 -0.021 0.000 1.063 1144 M CA 1.368 56.633 55.300 -0.058 0.000 1.114 1144 M CB -0.336 32.230 32.600 -0.056 0.000 1.387 1144 M HN 0.222 nan 8.290 nan 0.000 0.420 1145 R N 1.022 121.533 120.500 0.017 0.000 2.075 1145 R HA -0.189 4.152 4.340 0.001 0.000 0.232 1145 R C 2.233 178.537 176.300 0.007 0.000 1.126 1145 R CA 1.829 57.953 56.100 0.040 0.000 0.963 1145 R CB -0.118 30.252 30.300 0.116 0.000 0.858 1145 R HN 0.575 nan 8.270 nan 0.000 0.435 1146 Q N -1.110 118.719 119.800 0.049 0.000 2.378 1146 Q HA 0.053 4.393 4.340 0.001 0.000 0.205 1146 Q C 1.588 177.555 176.000 -0.056 0.000 0.954 1146 Q CA 1.042 56.817 55.803 -0.046 0.000 0.901 1146 Q CB 0.111 28.901 28.738 0.086 0.000 0.981 1146 Q HN 0.268 nan 8.270 nan 0.000 0.483 1147 A N 1.514 124.311 122.820 -0.040 0.000 1.898 1147 A HA 0.092 4.412 4.320 0.001 0.000 0.214 1147 A C 2.309 179.867 177.584 -0.044 0.000 1.183 1147 A CA 1.167 53.179 52.037 -0.041 0.000 0.622 1147 A CB -1.066 17.906 19.000 -0.047 0.000 0.824 1147 A HN 0.523 nan 8.150 nan 0.000 0.444 1148 G N -0.057 108.715 108.800 -0.046 0.000 2.404 1148 G HA2 -0.133 3.828 3.960 0.001 0.000 0.215 1148 G HA3 -0.133 3.828 3.960 0.001 0.000 0.215 1148 G C 1.558 176.413 174.900 -0.074 0.000 1.174 1148 G CA 0.977 46.047 45.100 -0.049 0.000 0.780 1148 G HN 0.393 nan 8.290 nan 0.000 0.537 1149 L N -0.061 121.098 121.223 -0.107 0.000 2.083 1149 L HA -0.005 4.335 4.340 0.001 0.000 0.209 1149 L C 2.846 179.644 176.870 -0.120 0.000 1.083 1149 L CA 0.604 55.357 54.840 -0.145 0.000 0.752 1149 L CB -0.287 41.618 42.059 -0.258 0.000 0.899 1149 L HN 0.184 nan 8.230 nan 0.000 0.433 1150 L N -0.898 120.266 121.223 -0.099 0.000 2.217 1150 L HA -0.095 4.245 4.340 0.001 0.000 0.211 1150 L C 2.725 179.566 176.870 -0.049 0.000 1.107 1150 L CA 0.714 55.516 54.840 -0.062 0.000 0.783 1150 L CB -0.552 41.483 42.059 -0.040 0.000 0.919 1150 L HN 0.210 nan 8.230 nan 0.000 0.442 1151 A N -0.455 122.334 122.820 -0.052 0.000 1.968 1151 A HA -0.077 4.244 4.320 0.001 0.000 0.217 1151 A C 2.302 179.853 177.584 -0.054 0.000 1.169 1151 A CA 1.070 53.078 52.037 -0.048 0.000 0.638 1151 A CB -0.479 18.496 19.000 -0.041 0.000 0.812 1151 A HN 0.161 nan 8.150 nan 0.000 0.446 1152 V N 0.188 120.064 119.914 -0.064 0.000 2.270 1152 V HA -0.287 3.833 4.120 0.001 0.000 0.245 1152 V C 2.704 178.761 176.094 -0.062 0.000 1.043 1152 V CA 2.017 64.276 62.300 -0.069 0.000 1.014 1152 V CB -0.679 31.095 31.823 -0.082 0.000 0.645 1152 V HN 0.496 nan 8.190 nan 0.000 0.447 1153 M N 0.151 119.713 119.600 -0.063 0.000 2.073 1153 M HA -0.216 4.264 4.480 0.001 0.000 0.258 1153 M C 2.456 178.743 176.300 -0.022 0.000 1.070 1153 M CA 2.505 57.776 55.300 -0.048 0.000 1.103 1153 M CB -1.686 30.893 32.600 -0.034 0.000 1.321 1153 M HN 0.416 nan 8.290 nan 0.000 0.405 1154 A N -0.201 122.604 122.820 -0.026 0.000 1.908 1154 A HA -0.194 4.126 4.320 0.001 0.000 0.218 1154 A C 1.928 179.492 177.584 -0.033 0.000 1.181 1154 A CA 1.551 53.572 52.037 -0.027 0.000 0.627 1154 A CB -0.782 18.194 19.000 -0.039 0.000 0.818 1154 A HN 0.689 nan 8.150 nan 0.000 0.445 1155 Q N -1.653 118.121 119.800 -0.042 0.000 2.282 1155 Q HA 0.295 4.636 4.340 0.001 0.000 0.205 1155 Q C 1.181 177.146 176.000 -0.059 0.000 0.915 1155 Q CA 0.065 55.839 55.803 -0.048 0.000 0.949 1155 Q CB 0.089 28.796 28.738 -0.052 0.000 1.035 1155 Q HN 0.783 nan 8.270 nan 0.000 0.484 1156 M N -1.028 118.546 119.600 -0.044 0.000 2.313 1156 M HA 0.213 4.694 4.480 0.001 0.000 0.273 1156 M C 0.245 176.531 176.300 -0.024 0.000 1.049 1156 M CA 0.345 55.619 55.300 -0.044 0.000 1.004 1156 M CB 1.044 33.641 32.600 -0.006 0.000 1.461 1156 M HN 0.245 nan 8.290 nan 0.000 0.514 1157 G N 1.731 110.524 108.800 -0.011 0.000 2.341 1157 G HA2 -0.240 3.721 3.960 0.001 0.000 0.278 1157 G HA3 -0.240 3.721 3.960 0.001 0.000 0.278 1157 G C -0.630 174.324 174.900 0.091 0.000 1.111 1157 G CA 0.165 45.275 45.100 0.016 0.000 0.982 1157 G HN 0.557 nan 8.290 nan 0.000 0.502 1158 C N -0.237 119.127 119.300 0.108 0.000 2.994 1158 C HA 0.757 5.217 4.460 0.001 0.000 0.305 1158 C C 0.525 175.670 174.990 0.258 0.000 1.251 1158 C CA -1.399 57.734 59.018 0.192 0.000 1.478 1158 C CB 0.880 28.686 27.740 0.111 0.000 1.922 1158 C HN 0.492 nan 8.230 nan 0.000 0.472 1159 Y N 2.171 122.538 120.300 0.111 0.000 2.379 1159 Y HA 0.429 4.980 4.550 0.001 0.000 0.337 1159 Y C 0.879 176.868 175.900 0.149 0.000 1.238 1159 Y CA -0.127 58.035 58.100 0.103 0.000 1.405 1159 Y CB 0.975 39.484 38.460 0.082 0.000 1.310 1159 Y HN 0.653 nan 8.280 nan 0.000 0.569 1160 V N 0.517 120.538 119.914 0.178 0.000 2.667 1160 V HA 0.465 4.585 4.120 0.001 0.000 0.308 1160 V C -2.815 173.350 176.094 0.119 0.000 1.048 1160 V CA -3.349 59.039 62.300 0.146 0.000 0.928 1160 V CB 1.560 33.416 31.823 0.055 0.000 1.004 1160 V HN 0.513 nan 8.190 nan 0.000 0.444 1161 P HA 0.493 nan 4.420 nan 0.000 0.252 1161 P C -0.204 177.127 177.300 0.052 0.000 1.694 1161 P CA 0.645 63.776 63.100 0.052 0.000 1.163 1161 P CB -0.004 31.719 31.700 0.038 0.000 1.934 1162 A N 1.795 124.645 122.820 0.049 0.000 2.515 1162 A HA 0.456 4.776 4.320 0.001 0.000 0.299 1162 A C 0.373 177.980 177.584 0.039 0.000 1.179 1162 A CA -0.478 51.587 52.037 0.047 0.000 0.656 1162 A CB 0.837 19.862 19.000 0.041 0.000 1.306 1162 A HN 0.167 nan 8.150 nan 0.000 0.459 1163 E N -1.110 119.112 120.200 0.037 0.000 2.330 1163 E HA 0.340 4.691 4.350 0.001 0.000 0.200 1163 E C -0.602 176.010 176.600 0.021 0.000 0.922 1163 E CA 0.661 57.080 56.400 0.031 0.000 0.935 1163 E CB 0.998 30.719 29.700 0.036 0.000 0.917 1163 E HN 0.318 nan 8.360 nan 0.000 0.491 1164 V N 0.531 120.460 119.914 0.025 0.000 2.808 1164 V HA 0.300 4.420 4.120 0.001 0.000 0.308 1164 V C -1.287 174.822 176.094 0.025 0.000 1.099 1164 V CA -0.958 61.356 62.300 0.023 0.000 0.920 1164 V CB 2.195 34.040 31.823 0.037 0.000 1.014 1164 V HN 0.207 nan 8.190 nan 0.000 0.425 1165 C N 6.679 125.986 119.300 0.012 0.000 3.171 1165 C HA 0.606 5.066 4.460 0.001 0.000 0.336 1165 C C -0.386 174.609 174.990 0.009 0.000 1.035 1165 C CA -0.565 58.459 59.018 0.009 0.000 1.361 1165 C CB -0.231 27.499 27.740 -0.017 0.000 1.804 1165 C HN 0.983 nan 8.230 nan 0.000 0.535 1166 R N 4.833 125.366 120.500 0.055 0.000 2.711 1166 R HA 0.956 5.297 4.340 0.001 0.000 0.284 1166 R C -0.935 175.312 176.300 -0.088 0.000 0.968 1166 R CA -0.729 55.415 56.100 0.073 0.000 0.924 1166 R CB 1.883 32.326 30.300 0.238 0.000 1.162 1166 R HN 0.778 nan 8.270 nan 0.000 0.465 1167 L N -2.530 118.494 121.223 -0.332 0.000 2.921 1167 L HA 0.457 4.798 4.340 0.001 0.000 0.261 1167 L C -0.735 175.797 176.870 -0.563 0.000 0.984 1167 L CA -1.152 53.224 54.840 -0.772 0.000 0.951 1167 L CB 2.060 43.881 42.059 -0.396 0.000 1.495 1167 L HN 0.698 nan 8.230 nan 0.000 0.414 1168 T N -1.440 112.756 114.554 -0.597 0.000 2.913 1168 T HA 0.695 5.045 4.350 0.001 0.000 0.287 1168 T C -2.611 172.018 174.700 -0.118 0.000 1.008 1168 T CA -1.785 60.184 62.100 -0.218 0.000 1.067 1168 T CB 0.934 69.758 68.868 -0.072 0.000 0.996 1168 T HN 0.583 nan 8.240 nan 0.000 0.513 1169 P HA 0.269 nan 4.420 nan 0.000 0.268 1169 P C -0.571 176.732 177.300 0.004 0.000 1.205 1169 P CA -0.233 62.851 63.100 -0.026 0.000 0.771 1169 P CB 0.233 31.923 31.700 -0.017 0.000 0.858 1170 I N 3.310 123.876 120.570 -0.006 0.000 2.315 1170 I HA 0.114 4.284 4.170 0.001 0.000 0.291 1170 I C 1.407 177.528 176.117 0.006 0.000 1.006 1170 I CA -0.317 60.997 61.300 0.023 0.000 1.265 1170 I CB 1.362 39.366 38.000 0.007 0.000 1.387 1170 I HN 0.422 nan 8.210 nan 0.000 0.475 1171 D N 5.976 126.397 120.400 0.035 0.000 2.224 1171 D HA -0.100 4.541 4.640 0.001 0.000 0.205 1171 D C 0.709 176.996 176.300 -0.022 0.000 0.965 1171 D CA 0.770 54.771 54.000 0.001 0.000 0.852 1171 D CB 0.470 41.284 40.800 0.023 0.000 0.947 1171 D HN 0.550 nan 8.370 nan 0.000 0.494 1172 R N -0.966 119.530 120.500 -0.007 0.000 2.725 1172 R HA 0.388 4.728 4.340 0.001 0.000 0.254 1172 R C -2.357 173.883 176.300 -0.100 0.000 1.076 1172 R CA -0.611 55.418 56.100 -0.119 0.000 0.940 1172 R CB 1.502 31.673 30.300 -0.214 0.000 1.260 1172 R HN -0.120 nan 8.270 nan 0.000 0.466 1173 V N 4.893 124.690 119.914 -0.195 0.000 2.347 1173 V HA 0.504 4.624 4.120 0.001 0.000 0.280 1173 V C -0.792 175.180 176.094 -0.202 0.000 1.021 1173 V CA -0.364 61.878 62.300 -0.097 0.000 0.847 1173 V CB 1.095 32.879 31.823 -0.065 0.000 0.990 1173 V HN 0.501 nan 8.190 nan 0.000 0.444 1174 F N 3.189 123.131 119.950 -0.013 0.000 2.420 1174 F HA 0.663 5.190 4.527 0.001 0.000 0.342 1174 F C 0.749 176.535 175.800 -0.023 0.000 1.113 1174 F CA -0.387 57.603 58.000 -0.016 0.000 1.059 1174 F CB 2.054 41.053 39.000 -0.003 0.000 1.128 1174 F HN 0.527 nan 8.300 nan 0.000 0.475 1175 T N 0.118 114.747 114.554 0.125 0.000 2.916 1175 T HA 0.727 5.077 4.350 0.001 0.000 0.292 1175 T C -0.738 173.982 174.700 0.032 0.000 1.055 1175 T CA -0.997 61.135 62.100 0.054 0.000 1.009 1175 T CB 2.180 71.052 68.868 0.006 0.000 1.118 1175 T HN 0.515 nan 8.240 nan 0.000 0.497 1176 R N 1.878 122.373 120.500 -0.007 0.000 2.684 1176 R HA 0.504 4.844 4.340 0.001 0.000 0.252 1176 R C -0.797 175.473 176.300 -0.051 0.000 1.628 1176 R CA -0.403 55.677 56.100 -0.033 0.000 1.622 1176 R CB -0.921 29.350 30.300 -0.050 0.000 1.418 1176 R HN 0.826 nan 8.270 nan 0.000 0.697 1177 L N -0.522 120.679 121.223 -0.036 0.000 3.058 1177 L HA 0.607 4.947 4.340 0.001 0.000 0.179 1177 L C 1.414 178.269 176.870 -0.025 0.000 1.400 1177 L CA -0.155 54.664 54.840 -0.036 0.000 1.241 1177 L CB -1.020 41.023 42.059 -0.028 0.000 1.515 1177 L HN 0.537 nan 8.230 nan 0.000 0.724 1189 T N 0.551 115.224 114.554 0.198 0.000 2.904 1189 T HA 0.064 4.414 4.350 0.001 0.000 0.267 1189 T C 1.360 176.198 174.700 0.230 0.000 1.059 1189 T CA 1.613 63.817 62.100 0.173 0.000 1.137 1189 T CB -0.436 68.511 68.868 0.132 0.000 0.879 1189 T HN 0.409 nan 8.240 nan 0.000 0.467 1190 F N 0.732 120.750 119.950 0.113 0.000 2.234 1190 F HA 0.173 4.701 4.527 0.001 0.000 0.296 1190 F C 1.566 177.446 175.800 0.133 0.000 1.089 1190 F CA 0.141 58.205 58.000 0.106 0.000 1.343 1190 F CB -0.800 38.266 39.000 0.110 0.000 1.040 1190 F HN 0.271 nan 8.300 nan 0.000 0.498 1191 F N 0.491 120.410 119.950 -0.051 0.000 2.069 1191 F HA -0.193 4.335 4.527 0.001 0.000 0.298 1191 F C 2.166 177.893 175.800 -0.121 0.000 1.113 1191 F CA 2.057 59.973 58.000 -0.139 0.000 1.214 1191 F CB -0.958 38.033 39.000 -0.015 0.000 0.978 1191 F HN -0.187 nan 8.300 nan 0.000 0.474 1192 V N 0.702 120.569 119.914 -0.078 0.000 2.392 1192 V HA -0.335 3.785 4.120 0.001 0.000 0.249 1192 V C 2.437 178.403 176.094 -0.214 0.000 1.059 1192 V CA 2.294 64.493 62.300 -0.167 0.000 1.051 1192 V CB -0.825 31.004 31.823 0.010 0.000 0.658 1192 V HN 0.495 nan 8.190 nan 0.000 0.455 1193 E N 0.015 120.130 120.200 -0.143 0.000 2.077 1193 E HA -0.218 4.132 4.350 0.001 0.000 0.193 1193 E C 2.156 178.623 176.600 -0.222 0.000 0.989 1193 E CA 1.416 57.746 56.400 -0.117 0.000 0.800 1193 E CB -0.109 29.604 29.700 0.021 0.000 0.746 1193 E HN 0.601 nan 8.360 nan 0.000 0.452 1194 L N 0.273 121.263 121.223 -0.389 0.000 2.240 1194 L HA -0.061 4.280 4.340 0.001 0.000 0.211 1194 L C 2.551 179.186 176.870 -0.393 0.000 1.106 1194 L CA 0.528 55.132 54.840 -0.394 0.000 0.793 1194 L CB -0.106 41.644 42.059 -0.516 0.000 0.927 1194 L HN 0.075 nan 8.230 nan 0.000 0.446 1195 S N -0.109 115.263 115.700 -0.546 0.000 2.383 1195 S HA -0.158 4.312 4.470 0.001 0.000 0.227 1195 S C 1.804 176.089 174.600 -0.524 0.000 1.026 1195 S CA 1.181 58.979 58.200 -0.669 0.000 0.981 1195 S CB -0.106 62.631 63.200 -0.771 0.000 0.818 1195 S HN 0.469 nan 8.310 nan 0.000 0.472 1196 E N 0.504 120.510 120.200 -0.323 0.000 2.152 1196 E HA -0.052 4.298 4.350 0.001 0.000 0.192 1196 E C 1.932 178.461 176.600 -0.117 0.000 0.983 1196 E CA 1.196 57.486 56.400 -0.183 0.000 0.818 1196 E CB -0.167 29.465 29.700 -0.114 0.000 0.758 1196 E HN 0.391 nan 8.360 nan 0.000 0.467 1197 T N 0.883 115.355 114.554 -0.136 0.000 2.812 1197 T HA -0.071 4.279 4.350 0.001 0.000 0.264 1197 T C 2.045 176.690 174.700 -0.091 0.000 1.042 1197 T CA 1.024 63.072 62.100 -0.086 0.000 1.140 1197 T CB -0.136 68.690 68.868 -0.070 0.000 0.870 1197 T HN 0.211 nan 8.240 nan 0.000 0.445 1198 A N 1.455 124.198 122.820 -0.128 0.000 1.978 1198 A HA -0.097 4.223 4.320 0.001 0.000 0.220 1198 A C 2.564 180.119 177.584 -0.047 0.000 1.170 1198 A CA 1.829 53.813 52.037 -0.088 0.000 0.636 1198 A CB -0.792 18.159 19.000 -0.082 0.000 0.810 1198 A HN 0.435 nan 8.150 nan 0.000 0.448 1199 S N -0.079 115.599 115.700 -0.037 0.000 2.368 1199 S HA -0.107 4.364 4.470 0.001 0.000 0.225 1199 S C 1.785 176.459 174.600 0.123 0.000 1.030 1199 S CA 1.457 59.733 58.200 0.128 0.000 0.999 1199 S CB -0.480 62.805 63.200 0.142 0.000 0.844 1199 S HN 0.591 nan 8.310 nan 0.000 0.459 1200 I N 1.553 122.096 120.570 -0.046 0.000 2.179 1200 I HA -0.179 3.991 4.170 0.001 0.000 0.242 1200 I C 1.971 177.869 176.117 -0.365 0.000 1.088 1200 I CA 1.135 62.175 61.300 -0.433 0.000 1.357 1200 I CB -0.544 37.241 38.000 -0.359 0.000 1.051 1200 I HN 0.221 nan 8.210 nan 0.000 0.409 1201 L N -0.332 120.778 121.223 -0.188 0.000 2.187 1201 L HA -0.217 4.123 4.340 0.001 0.000 0.213 1201 L C 2.494 179.280 176.870 -0.141 0.000 1.100 1201 L CA 1.354 56.107 54.840 -0.145 0.000 0.765 1201 L CB -0.320 41.685 42.059 -0.090 0.000 0.904 1201 L HN 0.403 nan 8.230 nan 0.000 0.437 1202 M N -2.148 117.364 119.600 -0.147 0.000 2.657 1202 M HA -0.014 4.466 4.480 0.001 0.000 0.262 1202 M C 2.126 178.282 176.300 -0.240 0.000 1.213 1202 M CA 0.727 55.904 55.300 -0.205 0.000 1.182 1202 M CB 0.220 32.663 32.600 -0.262 0.000 1.303 1202 M HN 0.191 nan 8.290 nan 0.000 0.501 1203 H N 0.074 119.138 119.070 -0.009 0.000 2.497 1203 H HA 0.285 4.841 4.556 0.001 0.000 0.282 1203 H C 0.647 176.035 175.328 0.100 0.000 1.003 1203 H CA 0.642 56.753 56.048 0.106 0.000 1.307 1203 H CB -0.189 29.745 29.762 0.287 0.000 1.437 1203 H HN 0.336 nan 8.280 nan 0.000 0.544 1204 A N 2.072 124.813 122.820 -0.132 0.000 2.511 1204 A HA 0.255 4.575 4.320 0.001 0.000 0.242 1204 A C 1.051 178.623 177.584 -0.020 0.000 1.069 1204 A CA 0.355 52.269 52.037 -0.205 0.000 0.763 1204 A CB -0.028 18.613 19.000 -0.600 0.000 1.001 1204 A HN 0.423 nan 8.150 nan 0.000 0.498 1205 T N -1.316 113.286 114.554 0.080 0.000 2.870 1205 T HA 0.622 4.973 4.350 0.001 0.000 0.277 1205 T C 1.113 175.822 174.700 0.015 0.000 1.000 1205 T CA -0.015 62.127 62.100 0.070 0.000 0.982 1205 T CB 1.233 70.196 68.868 0.158 0.000 1.249 1205 T HN 1.227 nan 8.240 nan 0.000 0.589 1206 A N -0.656 122.141 122.820 -0.039 0.000 2.172 1206 A HA 0.060 4.380 4.320 0.001 0.000 0.216 1206 A C 1.568 178.975 177.584 -0.295 0.000 1.154 1206 A CA 1.067 52.977 52.037 -0.212 0.000 0.701 1206 A CB -1.145 17.671 19.000 -0.307 0.000 0.789 1206 A HN 0.945 nan 8.150 nan 0.000 0.465 1207 H N -0.973 118.101 119.070 0.006 0.000 2.586 1207 H HA 0.267 4.824 4.556 0.001 0.000 0.273 1207 H C 0.694 176.049 175.328 0.045 0.000 0.997 1207 H CA 0.346 56.406 56.048 0.020 0.000 1.177 1207 H CB 0.411 30.185 29.762 0.019 0.000 1.471 1207 H HN 0.330 nan 8.280 nan 0.000 0.538 1208 S N 0.802 116.601 115.700 0.164 0.000 2.624 1208 S HA 0.236 4.706 4.470 0.001 0.000 0.263 1208 S C -0.272 174.421 174.600 0.154 0.000 1.287 1208 S CA -0.565 57.758 58.200 0.205 0.000 0.990 1208 S CB 1.011 64.412 63.200 0.335 0.000 0.950 1208 S HN 0.162 nan 8.310 nan 0.000 0.561 1209 L N 2.302 123.636 121.223 0.186 0.000 2.343 1209 L HA 0.582 4.922 4.340 0.001 0.000 0.278 1209 L C -1.244 175.738 176.870 0.186 0.000 0.996 1209 L CA -0.319 54.602 54.840 0.135 0.000 0.831 1209 L CB 1.169 43.276 42.059 0.079 0.000 1.232 1209 L HN 0.403 nan 8.230 nan 0.000 0.413 1210 V N 6.541 126.536 119.914 0.135 0.000 2.435 1210 V HA 0.491 4.612 4.120 0.001 0.000 0.290 1210 V C -0.210 175.938 176.094 0.090 0.000 1.030 1210 V CA -0.476 61.901 62.300 0.129 0.000 0.881 1210 V CB 1.652 33.509 31.823 0.057 0.000 0.983 1210 V HN 0.587 nan 8.190 nan 0.000 0.445 1211 L N 5.759 127.025 121.223 0.073 0.000 2.454 1211 L HA 0.526 4.866 4.340 0.001 0.000 0.258 1211 L C -0.723 176.129 176.870 -0.029 0.000 1.025 1211 L CA -0.393 54.459 54.840 0.020 0.000 0.901 1211 L CB 1.526 43.591 42.059 0.010 0.000 1.210 1211 L HN 0.360 nan 8.230 nan 0.000 0.457 1212 V N 0.415 120.272 119.914 -0.095 0.000 2.472 1212 V HA 0.418 4.539 4.120 0.001 0.000 0.290 1212 V C -0.537 175.350 176.094 -0.345 0.000 1.037 1212 V CA -0.355 61.799 62.300 -0.244 0.000 0.908 1212 V CB 2.176 33.762 31.823 -0.395 0.000 0.985 1212 V HN 0.507 nan 8.190 nan 0.000 0.454 1213 D N 3.053 123.290 120.400 -0.273 0.000 2.469 1213 D HA 0.298 4.939 4.640 0.001 0.000 0.251 1213 D C -0.023 176.168 176.300 -0.182 0.000 1.173 1213 D CA -0.408 53.465 54.000 -0.212 0.000 0.882 1213 D CB 0.737 41.471 40.800 -0.109 0.000 1.129 1213 D HN 0.729 nan 8.370 nan 0.000 0.549 1214 E N 1.467 121.542 120.200 -0.209 0.000 2.246 1214 E HA -0.246 4.105 4.350 0.001 0.000 0.211 1214 E C -0.267 176.317 176.600 -0.026 0.000 1.278 1214 E CA -0.034 56.312 56.400 -0.090 0.000 0.694 1214 E CB -0.751 28.943 29.700 -0.010 0.000 1.166 1214 E HN 0.347 nan 8.360 nan 0.000 0.370 1215 L N 0.564 121.756 121.223 -0.053 0.000 2.534 1215 L HA 0.283 4.623 4.340 0.001 0.000 0.271 1215 L C 1.184 178.241 176.870 0.312 0.000 1.178 1215 L CA 2.091 56.998 54.840 0.112 0.000 0.907 1215 L CB 0.499 42.642 42.059 0.139 0.000 1.164 1215 L HN 0.445 nan 8.230 nan 0.000 0.482 1216 G N 3.901 112.891 108.800 0.316 0.000 2.186 1216 G HA2 -0.184 3.776 3.960 0.001 0.000 0.130 1216 G HA3 -0.184 3.776 3.960 0.001 0.000 0.130 1216 G C 0.987 175.997 174.900 0.183 0.000 1.031 1216 G CA 0.212 45.518 45.100 0.343 0.000 0.697 1216 G HN 0.675 nan 8.290 nan 0.000 0.494 1217 R N -0.026 120.563 120.500 0.149 0.000 2.057 1217 R HA 0.072 4.412 4.340 0.001 0.000 0.229 1217 R C 2.402 178.712 176.300 0.016 0.000 1.136 1217 R CA 1.229 57.369 56.100 0.066 0.000 0.952 1217 R CB -0.147 30.191 30.300 0.063 0.000 0.848 1217 R HN 0.402 nan 8.270 nan 0.000 0.430 1218 G N 0.278 109.108 108.800 0.050 0.000 3.474 1218 G HA2 0.031 3.992 3.960 0.001 0.000 0.269 1218 G HA3 0.031 3.992 3.960 0.001 0.000 0.269 1218 G C -0.215 174.494 174.900 -0.318 0.000 1.339 1218 G CA 0.077 45.168 45.100 -0.015 0.000 1.258 1218 G HN 0.158 nan 8.290 nan 0.000 0.560 1219 T N -1.388 112.904 114.554 -0.437 0.000 2.754 1219 T HA 0.647 4.998 4.350 0.001 0.000 0.296 1219 T C -0.216 174.347 174.700 -0.229 0.000 1.205 1219 T CA 0.150 61.901 62.100 -0.582 0.000 1.009 1219 T CB 1.274 69.389 68.868 -1.255 0.000 1.368 1219 T HN 0.398 nan 8.240 nan 0.000 0.509 1220 A N 0.838 123.568 122.820 -0.150 0.000 2.386 1220 A HA 0.494 4.815 4.320 0.001 0.000 0.248 1220 A C 1.505 179.120 177.584 0.052 0.000 1.082 1220 A CA 0.334 52.364 52.037 -0.012 0.000 0.789 1220 A CB -0.292 18.734 19.000 0.043 0.000 1.025 1220 A HN 0.912 nan 8.150 nan 0.000 0.490 1221 T N 1.059 115.682 114.554 0.115 0.000 2.708 1221 T HA -0.154 4.197 4.350 0.001 0.000 0.266 1221 T C 1.559 176.340 174.700 0.134 0.000 1.037 1221 T CA 2.073 64.285 62.100 0.186 0.000 1.146 1221 T CB -0.502 68.486 68.868 0.200 0.000 0.865 1221 T HN 0.628 nan 8.240 nan 0.000 0.435 1222 F N 2.531 122.494 119.950 0.021 0.000 2.087 1222 F HA -0.242 4.286 4.527 0.001 0.000 0.299 1222 F C 1.887 177.680 175.800 -0.011 0.000 1.100 1222 F CA 1.728 59.733 58.000 0.009 0.000 1.226 1222 F CB -0.228 38.784 39.000 0.020 0.000 0.983 1222 F HN 0.081 nan 8.300 nan 0.000 0.479 1223 D N 0.076 120.439 120.400 -0.061 0.000 2.149 1223 D HA -0.048 4.593 4.640 0.001 0.000 0.201 1223 D C 2.496 178.730 176.300 -0.110 0.000 0.972 1223 D CA 1.303 55.224 54.000 -0.133 0.000 0.835 1223 D CB -1.114 39.727 40.800 0.068 0.000 0.966 1223 D HN 0.462 nan 8.370 nan 0.000 0.476 1224 G N 0.880 109.641 108.800 -0.065 0.000 2.440 1224 G HA2 -0.302 3.658 3.960 0.001 0.000 0.218 1224 G HA3 -0.302 3.658 3.960 0.001 0.000 0.218 1224 G C 1.761 176.439 174.900 -0.370 0.000 1.154 1224 G CA 2.206 47.284 45.100 -0.037 0.000 0.767 1224 G HN 0.416 nan 8.290 nan 0.000 0.552 1225 T N -0.233 113.944 114.554 -0.628 0.000 2.708 1225 T HA 0.106 4.456 4.350 0.001 0.000 0.266 1225 T C 2.616 177.111 174.700 -0.342 0.000 1.037 1225 T CA 1.983 63.666 62.100 -0.695 0.000 1.146 1225 T CB -0.613 67.974 68.868 -0.467 0.000 0.865 1225 T HN 0.394 nan 8.240 nan 0.000 0.435 1226 A N 1.651 124.290 122.820 -0.301 0.000 1.908 1226 A HA 0.066 4.386 4.320 0.001 0.000 0.218 1226 A C 2.460 179.973 177.584 -0.118 0.000 1.181 1226 A CA 1.629 53.535 52.037 -0.219 0.000 0.627 1226 A CB -0.896 17.923 19.000 -0.301 0.000 0.818 1226 A HN 0.629 nan 8.150 nan 0.000 0.445 1227 I N -0.464 120.059 120.570 -0.078 0.000 2.202 1227 I HA -0.221 3.949 4.170 0.001 0.000 0.242 1227 I C 2.963 179.101 176.117 0.034 0.000 1.091 1227 I CA 0.979 62.282 61.300 0.006 0.000 1.368 1227 I CB -0.422 37.627 38.000 0.082 0.000 1.058 1227 I HN 0.342 nan 8.210 nan 0.000 0.410 1228 A N 0.928 123.778 122.820 0.049 0.000 1.933 1228 A HA -0.275 4.045 4.320 0.001 0.000 0.218 1228 A C 2.043 179.610 177.584 -0.029 0.000 1.175 1228 A CA 2.413 54.528 52.037 0.130 0.000 0.628 1228 A CB -0.935 18.219 19.000 0.257 0.000 0.814 1228 A HN 0.495 nan 8.150 nan 0.000 0.444 1229 N N 0.006 118.685 118.700 -0.036 0.000 2.142 1229 N HA -0.052 4.688 4.740 0.001 0.000 0.186 1229 N C 1.738 177.258 175.510 0.017 0.000 1.023 1229 N CA 1.767 54.824 53.050 0.012 0.000 0.852 1229 N CB -0.328 38.166 38.487 0.012 0.000 0.998 1229 N HN 0.343 nan 8.380 nan 0.000 0.424 1230 A N -0.164 122.651 122.820 -0.007 0.000 1.930 1230 A HA -0.045 4.275 4.320 0.001 0.000 0.217 1230 A C 2.341 179.915 177.584 -0.016 0.000 1.175 1230 A CA 1.383 53.417 52.037 -0.004 0.000 0.627 1230 A CB -0.784 18.210 19.000 -0.010 0.000 0.815 1230 A HN 0.182 nan 8.150 nan 0.000 0.443 1231 V N -0.330 119.570 119.914 -0.023 0.000 2.223 1231 V HA -0.236 3.885 4.120 0.001 0.000 0.244 1231 V C 2.562 178.596 176.094 -0.101 0.000 1.045 1231 V CA 2.030 64.315 62.300 -0.025 0.000 1.000 1231 V CB -0.979 30.883 31.823 0.065 0.000 0.635 1231 V HN 0.355 nan 8.190 nan 0.000 0.445 1232 V N 0.196 119.957 119.914 -0.255 0.000 2.370 1232 V HA -0.370 3.751 4.120 0.001 0.000 0.252 1232 V C 2.412 178.361 176.094 -0.242 0.000 1.068 1232 V CA 2.498 64.543 62.300 -0.425 0.000 1.061 1232 V CB -0.844 30.481 31.823 -0.830 0.000 0.656 1232 V HN 0.583 nan 8.190 nan 0.000 0.455 1233 K N 0.331 120.690 120.400 -0.068 0.000 1.978 1233 K HA -0.291 4.029 4.320 0.001 0.000 0.214 1233 K C 2.316 178.918 176.600 0.003 0.000 1.049 1233 K CA 2.328 58.651 56.287 0.060 0.000 0.939 1233 K CB -0.242 32.312 32.500 0.091 0.000 0.721 1233 K HN 0.596 nan 8.250 nan 0.000 0.441 1234 E N 0.690 120.877 120.200 -0.021 0.000 2.110 1234 E HA -0.191 4.160 4.350 0.001 0.000 0.193 1234 E C 2.153 178.722 176.600 -0.051 0.000 0.988 1234 E CA 0.931 57.312 56.400 -0.032 0.000 0.804 1234 E CB -0.132 29.546 29.700 -0.037 0.000 0.745 1234 E HN 0.437 nan 8.360 nan 0.000 0.458 1235 L N -0.397 120.788 121.223 -0.064 0.000 2.217 1235 L HA 0.018 4.359 4.340 0.001 0.000 0.211 1235 L C 1.971 178.804 176.870 -0.062 0.000 1.107 1235 L CA 1.370 56.167 54.840 -0.070 0.000 0.783 1235 L CB -0.060 41.962 42.059 -0.061 0.000 0.919 1235 L HN 0.228 nan 8.230 nan 0.000 0.442 1236 A N -1.519 121.268 122.820 -0.055 0.000 2.288 1236 A HA 0.048 4.368 4.320 0.001 0.000 0.216 1236 A C 1.945 179.541 177.584 0.020 0.000 1.199 1236 A CA 0.395 52.426 52.037 -0.011 0.000 0.891 1236 A CB 0.043 19.023 19.000 -0.033 0.000 0.923 1236 A HN 0.523 nan 8.150 nan 0.000 0.500 1237 E N -1.639 118.562 120.200 0.002 0.000 2.441 1237 E HA 0.035 4.385 4.350 0.001 0.000 0.212 1237 E C 1.162 177.751 176.600 -0.018 0.000 0.840 1237 E CA 0.904 57.311 56.400 0.012 0.000 1.143 1237 E CB 0.683 30.404 29.700 0.036 0.000 1.153 1237 E HN 0.419 nan 8.360 nan 0.000 0.539 1238 T N 0.420 114.952 114.554 -0.036 0.000 3.071 1238 T HA 0.207 4.557 4.350 0.001 0.000 0.239 1238 T C 1.822 176.481 174.700 -0.069 0.000 0.997 1238 T CA 0.163 62.236 62.100 -0.045 0.000 1.134 1238 T CB 0.125 68.971 68.868 -0.037 0.000 0.928 1238 T HN 0.032 nan 8.240 nan 0.000 0.453 1239 I N 0.940 121.461 120.570 -0.083 0.000 2.286 1239 I HA -0.038 4.133 4.170 0.001 0.000 0.245 1239 I C 1.031 177.058 176.117 -0.149 0.000 1.104 1239 I CA 0.761 61.999 61.300 -0.103 0.000 1.397 1239 I CB -0.099 37.838 38.000 -0.105 0.000 1.072 1239 I HN 0.112 nan 8.210 nan 0.000 0.417 1240 K N -0.194 120.096 120.400 -0.183 0.000 3.512 1240 K HA -0.170 4.150 4.320 0.001 0.000 0.309 1240 K C 0.337 176.680 176.600 -0.428 0.000 1.350 1240 K CA 0.890 56.966 56.287 -0.353 0.000 0.960 1240 K CB -2.800 29.458 32.500 -0.404 0.000 1.290 1240 K HN 0.617 nan 8.250 nan 0.000 0.454 1241 C N 0.657 119.828 119.300 -0.214 0.000 2.649 1241 C HA 0.518 4.978 4.460 0.001 0.000 0.377 1241 C C 1.078 176.065 174.990 -0.006 0.000 1.321 1241 C CA -1.005 57.940 59.018 -0.120 0.000 2.368 1241 C CB -0.028 27.677 27.740 -0.058 0.000 2.597 1241 C HN 0.254 nan 8.230 nan 0.000 0.678 1242 R N 1.303 121.840 120.500 0.061 0.000 2.401 1242 R HA 0.504 4.845 4.340 0.001 0.000 0.299 1242 R C -0.137 176.227 176.300 0.106 0.000 1.064 1242 R CA 0.660 56.840 56.100 0.134 0.000 1.000 1242 R CB 0.535 30.909 30.300 0.123 0.000 0.973 1242 R HN 0.901 nan 8.270 nan 0.000 0.438 1243 T N 3.396 118.022 114.554 0.119 0.000 2.956 1243 T HA 0.358 4.709 4.350 0.001 0.000 0.312 1243 T C -0.747 174.023 174.700 0.116 0.000 1.151 1243 T CA -0.754 61.411 62.100 0.108 0.000 1.024 1243 T CB 1.381 70.312 68.868 0.105 0.000 1.140 1243 T HN 0.289 nan 8.240 nan 0.000 0.473 1244 L N 3.045 124.330 121.223 0.103 0.000 2.318 1244 L HA 0.568 4.908 4.340 0.001 0.000 0.277 1244 L C -1.295 175.649 176.870 0.124 0.000 1.008 1244 L CA -0.727 54.169 54.840 0.093 0.000 0.846 1244 L CB 0.902 42.969 42.059 0.013 0.000 1.220 1244 L HN 0.580 nan 8.230 nan 0.000 0.423 1245 F N 3.358 123.316 119.950 0.013 0.000 2.375 1245 F HA 0.421 4.948 4.527 0.001 0.000 0.361 1245 F C 0.503 176.313 175.800 0.018 0.000 1.117 1245 F CA -0.651 57.355 58.000 0.008 0.000 1.037 1245 F CB 1.387 40.380 39.000 -0.011 0.000 1.192 1245 F HN 0.417 nan 8.300 nan 0.000 0.452 1246 S N 3.820 119.475 115.700 -0.074 0.000 2.554 1246 S HA 0.788 5.259 4.470 0.001 0.000 0.278 1246 S C -0.227 174.362 174.600 -0.018 0.000 1.242 1246 S CA -0.433 57.760 58.200 -0.012 0.000 1.051 1246 S CB 1.832 64.987 63.200 -0.074 0.000 0.986 1246 S HN 0.790 nan 8.310 nan 0.000 0.502 1247 T N 0.012 114.590 114.554 0.040 0.000 2.840 1247 T HA 0.401 4.751 4.350 0.001 0.000 0.317 1247 T C -0.720 173.901 174.700 -0.131 0.000 1.401 1247 T CA -0.634 61.497 62.100 0.052 0.000 1.028 1247 T CB 1.269 70.360 68.868 0.372 0.000 1.317 1247 T HN 0.797 nan 8.240 nan 0.000 0.495 1248 H N 1.354 120.347 119.070 -0.128 0.000 2.755 1248 H HA 0.206 4.762 4.556 0.001 0.000 0.273 1248 H C -0.463 174.827 175.328 -0.063 0.000 1.055 1248 H CA 0.133 56.110 56.048 -0.119 0.000 1.191 1248 H CB 0.347 29.990 29.762 -0.198 0.000 1.536 1248 H HN 0.467 nan 8.280 nan 0.000 0.529 1249 Y N 1.681 122.126 120.300 0.242 0.000 2.640 1249 Y HA 0.003 4.553 4.550 0.001 0.000 0.355 1249 Y C 1.775 177.793 175.900 0.197 0.000 1.088 1249 Y CA -0.173 58.050 58.100 0.205 0.000 1.443 1249 Y CB -0.137 38.425 38.460 0.169 0.000 1.224 1249 Y HN 0.226 nan 8.280 nan 0.000 0.516 1250 H N 1.041 120.260 119.070 0.248 0.000 2.421 1250 H HA -0.158 4.399 4.556 0.001 0.000 0.298 1250 H C 1.992 177.422 175.328 0.170 0.000 1.087 1250 H CA 1.744 57.899 56.048 0.179 0.000 1.330 1250 H CB 0.328 30.176 29.762 0.144 0.000 1.388 1250 H HN 0.567 nan 8.280 nan 0.000 0.526 1251 S N -0.195 115.590 115.700 0.141 0.000 2.419 1251 S HA -0.146 4.325 4.470 0.001 0.000 0.233 1251 S C 2.098 176.715 174.600 0.028 0.000 1.016 1251 S CA 1.108 59.339 58.200 0.051 0.000 0.974 1251 S CB -0.517 62.758 63.200 0.124 0.000 0.786 1251 S HN 0.396 nan 8.310 nan 0.000 0.492 1252 L N 1.735 123.026 121.223 0.114 0.000 2.179 1252 L HA 0.206 4.547 4.340 0.001 0.000 0.208 1252 L C 2.256 179.218 176.870 0.154 0.000 1.096 1252 L CA 1.105 56.030 54.840 0.143 0.000 0.779 1252 L CB -0.508 41.672 42.059 0.200 0.000 0.922 1252 L HN 0.219 nan 8.230 nan 0.000 0.443 1253 V N -0.453 119.504 119.914 0.071 0.000 2.548 1253 V HA -0.177 3.943 4.120 0.001 0.000 0.249 1253 V C 2.377 178.452 176.094 -0.032 0.000 1.055 1253 V CA 1.501 63.825 62.300 0.042 0.000 1.065 1253 V CB -0.645 31.192 31.823 0.023 0.000 0.681 1253 V HN 0.463 nan 8.190 nan 0.000 0.462 1254 E N 0.363 120.473 120.200 -0.149 0.000 2.031 1254 E HA -0.248 4.103 4.350 0.001 0.000 0.193 1254 E C 1.962 178.509 176.600 -0.088 0.000 0.994 1254 E CA 1.594 57.908 56.400 -0.143 0.000 0.800 1254 E CB -0.261 29.345 29.700 -0.158 0.000 0.752 1254 E HN 0.558 nan 8.360 nan 0.000 0.447 1255 D N -0.079 120.264 120.400 -0.095 0.000 2.182 1255 D HA -0.151 4.489 4.640 0.001 0.000 0.201 1255 D C 0.400 176.459 176.300 -0.401 0.000 0.986 1255 D CA 1.251 55.104 54.000 -0.244 0.000 0.847 1255 D CB -0.105 40.520 40.800 -0.292 0.000 0.942 1255 D HN 0.280 nan 8.370 nan 0.000 0.467 1256 Y N 0.183 120.453 120.300 -0.050 0.000 2.724 1256 Y HA 0.163 4.714 4.550 0.001 0.000 0.370 1256 Y C 1.653 177.537 175.900 -0.026 0.000 0.978 1256 Y CA -0.537 57.540 58.100 -0.038 0.000 1.443 1256 Y CB 0.129 38.562 38.460 -0.044 0.000 1.386 1256 Y HN -0.123 nan 8.280 nan 0.000 0.557 1257 S N -0.757 114.965 115.700 0.037 0.000 2.382 1257 S HA -0.109 4.361 4.470 0.001 0.000 0.228 1257 S C 1.116 175.740 174.600 0.040 0.000 1.027 1257 S CA 1.414 59.631 58.200 0.029 0.000 0.991 1257 S CB -0.202 62.996 63.200 -0.004 0.000 0.823 1257 S HN 0.486 nan 8.310 nan 0.000 0.469 1258 Q N 0.167 119.989 119.800 0.036 0.000 3.891 1258 Q HA 0.505 4.846 4.340 0.001 0.000 0.190 1258 Q C -0.502 175.523 176.000 0.043 0.000 0.886 1258 Q CA -0.516 55.309 55.803 0.037 0.000 0.747 1258 Q CB -0.875 27.873 28.738 0.017 0.000 1.476 1258 Q HN 0.464 nan 8.270 nan 0.000 0.452 1259 N N 0.193 118.945 118.700 0.088 0.000 2.322 1259 N HA 0.311 5.052 4.740 0.001 0.000 0.216 1259 N C 1.298 176.856 175.510 0.079 0.000 1.144 1259 N CA 0.721 53.833 53.050 0.103 0.000 0.830 1259 N CB 0.670 39.295 38.487 0.229 0.000 1.034 1259 N HN 0.580 nan 8.380 nan 0.000 0.484 1260 V N -0.502 119.440 119.914 0.047 0.000 0.514 1260 V HA -0.459 3.661 4.120 0.001 0.000 0.092 1260 V C 1.777 177.879 176.094 0.013 0.000 2.257 1260 V CA 2.241 64.555 62.300 0.023 0.000 3.579 1260 V CB -1.555 30.282 31.823 0.022 0.000 0.869 1260 V HN 0.472 nan 8.190 nan 0.000 0.908 1261 A N -1.238 121.617 122.820 0.058 0.000 2.178 1261 A HA 0.447 4.767 4.320 0.001 0.000 0.211 1261 A C 0.653 178.283 177.584 0.076 0.000 1.157 1261 A CA 1.184 53.274 52.037 0.090 0.000 0.780 1261 A CB 0.121 19.241 19.000 0.200 0.000 0.828 1261 A HN 0.849 nan 8.150 nan 0.000 0.476 1262 V N 2.087 122.040 119.914 0.065 0.000 2.378 1262 V HA 0.387 4.508 4.120 0.001 0.000 0.288 1262 V C -0.005 176.115 176.094 0.043 0.000 1.016 1262 V CA -0.824 61.501 62.300 0.042 0.000 0.840 1262 V CB 1.123 32.970 31.823 0.039 0.000 0.994 1262 V HN 0.669 nan 8.190 nan 0.000 0.431 1263 R N 4.904 125.424 120.500 0.034 0.000 2.720 1263 R HA 0.829 5.170 4.340 0.001 0.000 0.272 1263 R C -1.002 175.330 176.300 0.054 0.000 0.991 1263 R CA -0.886 55.236 56.100 0.035 0.000 1.010 1263 R CB 1.483 31.794 30.300 0.019 0.000 1.141 1263 R HN 0.480 nan 8.270 nan 0.000 0.494 1264 L N 0.430 121.681 121.223 0.047 0.000 2.421 1264 L HA 0.651 4.991 4.340 0.001 0.000 0.263 1264 L C 0.392 177.281 176.870 0.031 0.000 1.122 1264 L CA -0.286 54.590 54.840 0.060 0.000 0.804 1264 L CB 1.536 43.632 42.059 0.061 0.000 1.150 1264 L HN 1.013 nan 8.230 nan 0.000 0.457 1265 G N 0.214 109.046 108.800 0.054 0.000 2.658 1265 G HA2 0.439 4.400 3.960 0.001 0.000 0.301 1265 G HA3 0.439 4.400 3.960 0.001 0.000 0.301 1265 G C -1.783 173.161 174.900 0.074 0.000 1.481 1265 G CA -0.549 44.490 45.100 -0.102 0.000 0.931 1265 G HN 0.808 nan 8.290 nan 0.000 0.573 1266 H N 0.526 119.516 119.070 -0.133 0.000 2.977 1266 H HA 0.768 5.325 4.556 0.001 0.000 0.350 1266 H C -1.358 174.019 175.328 0.083 0.000 1.238 1266 H CA -1.419 54.654 56.048 0.041 0.000 1.124 1266 H CB 2.063 31.850 29.762 0.040 0.000 1.866 1266 H HN 0.456 nan 8.280 nan 0.000 0.550 1267 M N 2.361 122.085 119.600 0.207 0.000 2.094 1267 M HA 0.437 4.918 4.480 0.001 0.000 0.348 1267 M C -0.045 176.334 176.300 0.131 0.000 1.267 1267 M CA -0.177 55.210 55.300 0.145 0.000 1.125 1267 M CB -0.139 32.552 32.600 0.152 0.000 1.527 1267 M HN 0.722 nan 8.290 nan 0.000 0.447 1268 A N 3.549 126.360 122.820 -0.015 0.000 2.547 1268 A HA 0.297 4.617 4.320 0.001 0.000 0.233 1268 A C -0.170 177.448 177.584 0.057 0.000 1.067 1268 A CA -0.111 51.954 52.037 0.047 0.000 0.763 1268 A CB -0.016 18.968 19.000 -0.027 0.000 1.007 1268 A HN 0.942 nan 8.150 nan 0.000 0.506 1269 C N 3.435 122.777 119.300 0.070 0.000 2.782 1269 C HA 0.605 5.065 4.460 0.001 0.000 0.328 1269 C C 0.055 175.045 174.990 -0.000 0.000 1.145 1269 C CA -0.720 58.271 59.018 -0.045 0.000 1.358 1269 C CB 0.866 28.498 27.740 -0.181 0.000 1.841 1269 C HN 1.120 nan 8.230 nan 0.000 0.477 1285 F N 1.418 121.232 119.950 -0.227 0.000 2.410 1285 F HA 0.523 5.050 4.527 0.001 0.000 0.349 1285 F C 1.314 176.898 175.800 -0.361 0.000 1.117 1285 F CA -0.990 56.734 58.000 -0.459 0.000 1.104 1285 F CB 1.249 39.674 39.000 -0.957 0.000 1.122 1285 F HN 0.074 nan 8.300 nan 0.000 0.483 1286 L N 2.750 123.920 121.223 -0.090 0.000 2.418 1286 L HA -0.080 4.260 4.340 0.001 0.000 0.218 1286 L C 0.474 177.410 176.870 0.109 0.000 1.125 1286 L CA 0.378 55.232 54.840 0.024 0.000 0.835 1286 L CB -0.394 41.676 42.059 0.018 0.000 0.953 1286 L HN 0.727 nan 8.230 nan 0.000 0.454 1287 Y N -1.143 119.188 120.300 0.053 0.000 4.851 1287 Y HA -0.336 4.214 4.550 0.001 0.000 0.235 1287 Y C 0.816 176.697 175.900 -0.031 0.000 0.998 1287 Y CA 0.663 58.749 58.100 -0.023 0.000 1.980 1287 Y CB -1.951 36.436 38.460 -0.123 0.000 1.561 1287 Y HN 0.185 nan 8.280 nan 0.000 0.585 1288 K N 0.289 120.748 120.400 0.097 0.000 2.118 1288 K HA 0.424 4.745 4.320 0.001 0.000 0.267 1288 K C -0.541 176.114 176.600 0.091 0.000 0.991 1288 K CA -0.867 55.468 56.287 0.079 0.000 0.916 1288 K CB 0.801 33.325 32.500 0.040 0.000 1.041 1288 K HN 0.011 nan 8.250 nan 0.000 0.455 1289 F N 5.426 125.343 119.950 -0.055 0.000 2.309 1289 F HA 0.303 4.830 4.527 0.001 0.000 0.366 1289 F C -0.309 175.422 175.800 -0.115 0.000 1.104 1289 F CA -1.019 56.932 58.000 -0.082 0.000 1.179 1289 F CB -0.044 38.940 39.000 -0.027 0.000 1.437 1289 F HN 0.319 nan 8.300 nan 0.000 0.528 1290 I N 1.939 122.154 120.570 -0.591 0.000 2.607 1290 I HA 0.496 4.666 4.170 0.001 0.000 0.305 1290 I C -0.452 175.267 176.117 -0.664 0.000 0.995 1290 I CA -1.199 59.771 61.300 -0.550 0.000 1.148 1290 I CB 1.577 39.369 38.000 -0.347 0.000 1.323 1290 I HN 0.354 nan 8.210 nan 0.000 0.461 1291 K N 3.081 123.246 120.400 -0.393 0.000 2.350 1291 K HA 0.558 4.878 4.320 0.001 0.000 0.279 1291 K C 0.047 176.616 176.600 -0.051 0.000 1.027 1291 K CA 0.716 56.859 56.287 -0.241 0.000 0.969 1291 K CB 0.405 32.819 32.500 -0.142 0.000 0.954 1291 K HN 1.091 nan 8.250 nan 0.000 0.474 1292 G N 1.415 110.247 108.800 0.054 0.000 2.354 1292 G HA2 0.218 4.178 3.960 0.001 0.000 0.582 1292 G HA3 0.218 4.178 3.960 0.001 0.000 0.582 1292 G C -1.398 173.653 174.900 0.252 0.000 1.316 1292 G CA -0.504 44.691 45.100 0.159 0.000 0.995 1292 G HN 0.788 nan 8.290 nan 0.000 0.573 1293 A N -1.158 121.706 122.820 0.074 0.000 2.252 1293 A HA 0.703 5.024 4.320 0.001 0.000 0.305 1293 A C 0.848 178.218 177.584 -0.357 0.000 1.097 1293 A CA 0.341 52.366 52.037 -0.021 0.000 0.849 1293 A CB 0.475 19.500 19.000 0.042 0.000 1.142 1293 A HN 1.813 nan 8.150 nan 0.000 0.499 1294 C N 0.814 119.960 119.300 -0.257 0.000 2.652 1294 C HA 0.388 4.849 4.460 0.001 0.000 0.412 1294 C C -1.469 173.425 174.990 -0.161 0.000 1.294 1294 C CA -0.236 58.603 59.018 -0.298 0.000 2.127 1294 C CB -0.143 27.585 27.740 -0.021 0.000 2.691 1294 C HN 0.665 nan 8.230 nan 0.000 0.615 1295 P HA 0.085 nan 4.420 nan 0.000 0.235 1295 P C -0.054 177.192 177.300 -0.090 0.000 1.725 1295 P CA -0.150 62.904 63.100 -0.077 0.000 0.894 1295 P CB -0.368 31.302 31.700 -0.050 0.000 1.704 1296 K N 1.102 121.478 120.400 -0.040 0.000 2.392 1296 K HA -0.101 4.219 4.320 0.001 0.000 0.259 1296 K C 0.060 176.620 176.600 -0.067 0.000 1.141 1296 K CA 0.887 57.164 56.287 -0.018 0.000 1.208 1296 K CB -0.316 32.164 32.500 -0.033 0.000 0.786 1296 K HN 0.073 nan 8.250 nan 0.000 0.498 1297 S N 2.998 118.633 115.700 -0.108 0.000 2.208 1297 S HA 0.015 4.486 4.470 0.001 0.000 0.234 1297 S C 0.152 174.740 174.600 -0.020 0.000 0.907 1297 S CA -0.464 57.712 58.200 -0.040 0.000 1.616 1297 S CB -0.276 62.837 63.200 -0.144 0.000 1.218 1297 S HN 0.630 nan 8.310 nan 0.000 0.588 1298 Y N 2.352 122.698 120.300 0.076 0.000 2.569 1298 Y HA 0.009 4.559 4.550 0.001 0.000 0.293 1298 Y C 2.386 178.290 175.900 0.006 0.000 1.144 1298 Y CA 1.015 59.138 58.100 0.038 0.000 1.321 1298 Y CB -0.668 37.804 38.460 0.020 0.000 0.982 1298 Y HN 0.427 nan 8.280 nan 0.000 0.558 1299 G N -0.874 107.963 108.800 0.061 0.000 2.408 1299 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 1299 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 1299 G C 1.194 175.916 174.900 -0.295 0.000 1.150 1299 G CA 0.652 45.639 45.100 -0.188 0.000 0.776 1299 G HN 0.387 nan 8.290 nan 0.000 0.542 1300 F N 0.794 120.782 119.950 0.063 0.000 2.698 1300 F HA 0.208 4.735 4.527 0.000 0.000 0.295 1300 F C 2.255 178.083 175.800 0.048 0.000 1.124 1300 F CA 0.136 58.178 58.000 0.070 0.000 1.426 1300 F CB 0.047 39.132 39.000 0.140 0.000 1.120 1300 F HN -0.017 nan 8.300 nan 0.000 0.583 1301 N N 0.869 119.680 118.700 0.185 0.000 2.171 1301 N HA -0.097 4.644 4.740 0.001 0.000 0.184 1301 N C 2.106 177.678 175.510 0.103 0.000 1.021 1301 N CA 1.350 54.477 53.050 0.127 0.000 0.854 1301 N CB -0.724 37.846 38.487 0.139 0.000 0.994 1301 N HN 0.224 nan 8.380 nan 0.000 0.426 1302 A N 0.814 123.691 122.820 0.096 0.000 1.902 1302 A HA 0.040 4.360 4.320 0.001 0.000 0.217 1302 A C 2.304 179.916 177.584 0.047 0.000 1.181 1302 A CA 1.912 53.987 52.037 0.064 0.000 0.623 1302 A CB -0.927 18.103 19.000 0.051 0.000 0.818 1302 A HN 0.308 nan 8.150 nan 0.000 0.443 1303 A N -0.392 122.455 122.820 0.044 0.000 1.877 1303 A HA -0.157 4.163 4.320 0.001 0.000 0.216 1303 A C 2.260 179.880 177.584 0.061 0.000 1.186 1303 A CA 1.759 53.823 52.037 0.046 0.000 0.620 1303 A CB -0.466 18.567 19.000 0.056 0.000 0.822 1303 A HN 0.524 nan 8.150 nan 0.000 0.443 1304 R N -1.061 119.486 120.500 0.080 0.000 2.148 1304 R HA -0.025 4.316 4.340 0.001 0.000 0.223 1304 R C 1.816 178.141 176.300 0.042 0.000 1.088 1304 R CA 1.135 57.272 56.100 0.062 0.000 0.985 1304 R CB -0.251 30.088 30.300 0.065 0.000 0.880 1304 R HN 0.431 nan 8.270 nan 0.000 0.451 1305 L N -0.105 121.144 121.223 0.044 0.000 2.313 1305 L HA 0.169 4.509 4.340 0.001 0.000 0.214 1305 L C 1.350 178.238 176.870 0.030 0.000 1.119 1305 L CA 1.341 56.202 54.840 0.034 0.000 0.809 1305 L CB 0.049 42.131 42.059 0.038 0.000 0.933 1305 L HN 0.125 nan 8.230 nan 0.000 0.449 1306 A N -0.804 122.035 122.820 0.031 0.000 2.462 1306 A HA 0.205 4.525 4.320 0.001 0.000 0.261 1306 A C 0.699 178.297 177.584 0.022 0.000 1.323 1306 A CA 0.030 52.082 52.037 0.025 0.000 0.913 1306 A CB -0.751 18.263 19.000 0.024 0.000 1.028 1306 A HN 0.524 nan 8.150 nan 0.000 0.511 1307 N N -1.671 117.042 118.700 0.022 0.000 2.714 1307 N HA -0.163 4.577 4.740 0.001 0.000 0.250 1307 N C -0.408 175.114 175.510 0.020 0.000 1.117 1307 N CA 0.768 53.829 53.050 0.019 0.000 0.719 1307 N CB -1.583 36.913 38.487 0.015 0.000 1.081 1307 N HN 0.529 nan 8.380 nan 0.000 0.557 1308 L N 1.137 122.376 121.223 0.026 0.000 2.360 1308 L HA 0.356 4.696 4.340 0.001 0.000 0.276 1308 L C -1.612 175.275 176.870 0.029 0.000 1.121 1308 L CA -1.089 53.768 54.840 0.028 0.000 0.845 1308 L CB 0.327 42.407 42.059 0.035 0.000 1.143 1308 L HN -0.065 nan 8.230 nan 0.000 0.452 1309 P HA -0.113 nan 4.420 nan 0.000 0.264 1309 P C 0.146 177.461 177.300 0.025 0.000 1.156 1309 P CA 0.313 63.426 63.100 0.021 0.000 0.756 1309 P CB 0.388 32.100 31.700 0.020 0.000 0.764 1310 E N 2.958 123.168 120.200 0.017 0.000 2.118 1310 E HA -0.246 4.104 4.350 0.001 0.000 0.195 1310 E C 1.613 178.221 176.600 0.014 0.000 0.992 1310 E CA 1.354 57.762 56.400 0.013 0.000 0.804 1310 E CB -0.257 29.445 29.700 0.003 0.000 0.741 1310 E HN 0.673 nan 8.360 nan 0.000 0.458 1311 E N 0.833 121.042 120.200 0.015 0.000 2.110 1311 E HA -0.142 4.208 4.350 0.001 0.000 0.193 1311 E C 2.091 178.709 176.600 0.030 0.000 0.988 1311 E CA 1.162 57.571 56.400 0.016 0.000 0.804 1311 E CB 0.229 29.937 29.700 0.014 0.000 0.745 1311 E HN 0.046 nan 8.360 nan 0.000 0.458 1312 V N 1.584 121.522 119.914 0.040 0.000 2.358 1312 V HA -0.244 3.877 4.120 0.001 0.000 0.246 1312 V C 2.413 178.565 176.094 0.097 0.000 1.047 1312 V CA 1.141 63.477 62.300 0.060 0.000 1.035 1312 V CB -0.430 31.425 31.823 0.053 0.000 0.658 1312 V HN 0.350 nan 8.190 nan 0.000 0.452 1313 I N 0.223 120.849 120.570 0.095 0.000 2.163 1313 I HA -0.217 3.953 4.170 0.001 0.000 0.243 1313 I C 2.637 178.808 176.117 0.090 0.000 1.085 1313 I CA 1.675 63.059 61.300 0.139 0.000 1.347 1313 I CB -1.388 36.665 38.000 0.089 0.000 1.044 1313 I HN 0.388 nan 8.210 nan 0.000 0.408 1314 Q N 0.977 120.789 119.800 0.021 0.000 2.083 1314 Q HA -0.101 4.239 4.340 0.001 0.000 0.198 1314 Q C 2.202 178.208 176.000 0.010 0.000 0.969 1314 Q CA 1.134 56.918 55.803 -0.031 0.000 0.838 1314 Q CB -0.354 28.356 28.738 -0.045 0.000 0.900 1314 Q HN 0.534 nan 8.270 nan 0.000 0.436 1315 K N 0.121 120.542 120.400 0.036 0.000 2.148 1315 K HA -0.055 4.265 4.320 0.001 0.000 0.204 1315 K C 2.060 178.705 176.600 0.075 0.000 1.050 1315 K CA 1.102 57.416 56.287 0.045 0.000 0.942 1315 K CB -0.215 32.309 32.500 0.040 0.000 0.724 1315 K HN 0.272 nan 8.250 nan 0.000 0.446 1316 G N -0.195 108.683 108.800 0.130 0.000 2.448 1316 G HA2 -0.244 3.717 3.960 0.001 0.000 0.218 1316 G HA3 -0.244 3.717 3.960 0.001 0.000 0.218 1316 G C 1.183 176.214 174.900 0.219 0.000 1.135 1316 G CA 0.635 45.866 45.100 0.219 0.000 0.784 1316 G HN 0.345 nan 8.290 nan 0.000 0.543 1317 H N 0.479 119.465 119.070 -0.140 0.000 2.389 1317 H HA 0.105 4.661 4.556 0.001 0.000 0.299 1317 H C 2.801 177.993 175.328 -0.228 0.000 1.081 1317 H CA 1.221 56.924 56.048 -0.576 0.000 1.345 1317 H CB 0.151 29.460 29.762 -0.754 0.000 1.393 1317 H HN 0.247 nan 8.280 nan 0.000 0.520 1318 R N 0.080 120.590 120.500 0.017 0.000 2.073 1318 R HA -0.133 4.208 4.340 0.001 0.000 0.234 1318 R C 2.231 178.547 176.300 0.026 0.000 1.134 1318 R CA 1.556 57.672 56.100 0.025 0.000 0.952 1318 R CB -0.158 30.162 30.300 0.032 0.000 0.850 1318 R HN 0.123 nan 8.270 nan 0.000 0.433 1319 K N 1.251 121.680 120.400 0.049 0.000 2.103 1319 K HA -0.100 4.221 4.320 0.001 0.000 0.207 1319 K C 1.894 178.552 176.600 0.097 0.000 1.048 1319 K CA 1.627 57.960 56.287 0.077 0.000 0.930 1319 K CB -0.334 32.207 32.500 0.069 0.000 0.716 1319 K HN 0.193 nan 8.250 nan 0.000 0.444 1320 A N 0.783 123.644 122.820 0.069 0.000 1.877 1320 A HA -0.151 4.169 4.320 0.001 0.000 0.216 1320 A C 2.145 179.761 177.584 0.054 0.000 1.186 1320 A CA 1.727 53.811 52.037 0.078 0.000 0.620 1320 A CB -0.443 18.605 19.000 0.080 0.000 0.822 1320 A HN 0.370 nan 8.150 nan 0.000 0.443 1321 R N -0.854 119.635 120.500 -0.017 0.000 2.090 1321 R HA -0.064 4.277 4.340 0.001 0.000 0.228 1321 R C 2.279 178.611 176.300 0.054 0.000 1.110 1321 R CA 1.134 57.236 56.100 0.002 0.000 0.973 1321 R CB -0.278 30.010 30.300 -0.021 0.000 0.869 1321 R HN 0.780 nan 8.270 nan 0.000 0.440 1322 E N 0.619 120.865 120.200 0.076 0.000 2.085 1322 E HA -0.199 4.152 4.350 0.001 0.000 0.194 1322 E C 0.369 177.053 176.600 0.140 0.000 0.994 1322 E CA 0.929 57.387 56.400 0.097 0.000 0.801 1322 E CB -0.021 29.743 29.700 0.107 0.000 0.743 1322 E HN 0.207 nan 8.360 nan 0.000 0.453 1323 F N 1.166 121.133 119.950 0.029 0.000 2.859 1323 F HA 0.096 4.624 4.527 0.001 0.000 0.315 1323 F C 0.264 176.094 175.800 0.051 0.000 1.207 1323 F CA 0.465 58.490 58.000 0.042 0.000 1.370 1323 F CB 0.122 39.152 39.000 0.050 0.000 1.314 1323 F HN -0.007 nan 8.300 nan 0.000 0.555 1324 E N -0.520 119.664 120.200 -0.027 0.000 2.862 1324 E HA 0.038 4.388 4.350 0.001 0.000 0.204 1324 E C 1.067 177.632 176.600 -0.057 0.000 0.966 1324 E CA 0.035 56.416 56.400 -0.032 0.000 1.257 1324 E CB 0.486 30.211 29.700 0.042 0.000 1.053 1324 E HN 0.422 nan 8.360 nan 0.000 0.487 1325 K N 0.147 120.491 120.400 -0.094 0.000 2.352 1325 K HA 0.204 4.525 4.320 0.001 0.000 0.194 1325 K C 1.614 178.148 176.600 -0.111 0.000 1.038 1325 K CA 0.383 56.627 56.287 -0.070 0.000 1.023 1325 K CB 0.446 32.918 32.500 -0.046 0.000 0.840 1325 K HN 0.034 nan 8.250 nan 0.000 0.519 1326 M N 0.051 119.518 119.600 -0.222 0.000 2.556 1326 M HA 0.048 4.529 4.480 0.001 0.000 0.264 1326 M C 1.031 177.211 176.300 -0.200 0.000 1.163 1326 M CA 1.308 56.446 55.300 -0.270 0.000 1.186 1326 M CB -0.634 31.619 32.600 -0.578 0.000 1.321 1326 M HN 0.133 nan 8.290 nan 0.000 0.485 1327 N N 0.371 118.952 118.700 -0.199 0.000 2.398 1327 N HA 0.002 4.743 4.740 0.001 0.000 0.188 1327 N C 0.395 175.889 175.510 -0.027 0.000 1.122 1327 N CA 0.209 53.209 53.050 -0.084 0.000 0.866 1327 N CB 0.357 38.828 38.487 -0.027 0.000 0.970 1327 N HN 0.461 nan 8.380 nan 0.000 0.462 1328 Q N -0.155 119.626 119.800 -0.031 0.000 2.129 1328 Q HA 0.153 4.494 4.340 0.001 0.000 0.274 1328 Q C 0.406 176.400 176.000 -0.010 0.000 0.854 1328 Q CA -0.181 55.617 55.803 -0.008 0.000 1.123 1328 Q CB 0.908 29.648 28.738 0.004 0.000 1.226 1328 Q HN 0.219 nan 8.270 nan 0.000 0.454 1329 S N -1.340 114.355 115.700 -0.008 0.000 2.526 1329 S HA 0.154 4.625 4.470 0.001 0.000 0.220 1329 S C 1.312 175.939 174.600 0.046 0.000 1.017 1329 S CA -0.262 57.946 58.200 0.013 0.000 0.930 1329 S CB 0.060 63.269 63.200 0.015 0.000 0.856 1329 S HN 0.317 nan 8.310 nan 0.000 0.497 1330 L N 1.051 122.293 121.223 0.031 0.000 2.711 1330 L HA 0.224 4.564 4.340 0.001 0.000 0.242 1330 L C 0.921 177.815 176.870 0.039 0.000 1.153 1330 L CA 0.360 55.228 54.840 0.046 0.000 0.898 1330 L CB -0.441 41.626 42.059 0.013 0.000 1.044 1330 L HN 0.193 nan 8.230 nan 0.000 0.437 1331 R N -0.100 120.413 120.500 0.022 0.000 3.135 1331 R HA 0.352 4.692 4.340 0.001 0.000 0.343 1331 R C 0.568 176.856 176.300 -0.019 0.000 1.227 1331 R CA -0.096 56.004 56.100 -0.000 0.000 1.227 1331 R CB 0.520 30.813 30.300 -0.011 0.000 1.436 1331 R HN 0.198 nan 8.270 nan 0.000 0.595 1332 L N -1.747 119.469 121.223 -0.012 0.000 2.249 1332 L HA 0.329 4.669 4.340 0.001 0.000 0.204 1332 L C 1.375 178.149 176.870 -0.160 0.000 1.135 1332 L CA 0.071 54.837 54.840 -0.123 0.000 1.070 1332 L CB -0.795 41.137 42.059 -0.212 0.000 2.194 1332 L HN 0.151 nan 8.230 nan 0.000 0.504 1333 F N 2.021 121.959 119.950 -0.020 0.000 2.456 1333 F HA 0.334 4.862 4.527 0.001 0.000 0.298 1333 F C 2.331 178.119 175.800 -0.019 0.000 1.104 1333 F CA 1.305 59.294 58.000 -0.018 0.000 1.435 1333 F CB -0.133 38.858 39.000 -0.017 0.000 1.078 1333 F HN 0.308 nan 8.300 nan 0.000 0.546 1334 R N 1.191 121.770 120.500 0.132 0.000 4.496 1334 R HA 0.610 4.950 4.340 0.001 0.000 0.211 1334 R C -0.016 176.300 176.300 0.027 0.000 1.738 1334 R CA 0.743 56.884 56.100 0.067 0.000 1.528 1334 R CB -1.796 28.528 30.300 0.039 0.000 1.414 1334 R HN 0.411 nan 8.270 nan 0.000 0.812 1335 E N 0.000 120.214 120.200 0.023 0.000 2.725 1335 E HA 0.000 4.350 4.350 0.001 0.000 0.291 1335 E CA 0.000 56.401 56.400 0.001 0.000 0.976 1335 E CB 0.000 29.690 29.700 -0.016 0.000 0.812 1335 E HN 0.000 nan 8.360 nan 0.000 0.440