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 3lds_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FAIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIAVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSLYPSII RQVNISPETI AGTFKVAPLH DYINAVAERP DATA SEQUENCE SDVYSCSPNG MMYYKDRDGV VPTEITKVFN QRKEHKGYML AAQRNGEIIK DATA SEQUENCE EALHNPNLSV DEPLDVDYRF DFSDEIKEKI KKLSAKSLNE MLFRAQRTEV DATA SEQUENCE AGMTAQINRK ALINSLYGAL GNVWFRYYDL RNATAITTFG QMALQWIERK DATA SEQUENCE VNEYLNEVCG TEGEAFVLYG DTDSIYVSAD KIIDKVGESK FRDTNHWVDF DATA SEQUENCE LDKFARERME PAIDRGFREM CEYMNNKQHL MFMDREAIAG PPLGSKGIGG DATA SEQUENCE FWTGKKRYAL NVWDMEGTRY AEPKLKIMGL ETQKSSTPKA VQKALKECIR DATA SEQUENCE RMLQEGEESL QEYFKEFEKE FRQLNYISIA SVSSANNIAK YDVGGFPGPK DATA SEQUENCE CPFHIRGILT YNRAIKGNID APQVVEGEKV YVLPLREGNP FGDKCIAWPS DATA SEQUENCE GTEITDLIKD DVLHWMDYTV LLEKTFIKPL EGFTSAAKLD YEKKASLFDM DATA SEQUENCE FDF 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.317 176.300 0.029 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 K N 2.268 122.704 120.400 0.060 0.000 2.397 2 K HA 0.486 4.810 4.320 0.007 0.000 0.253 2 K C -0.870 175.882 176.600 0.254 0.000 0.932 2 K CA -0.233 56.098 56.287 0.074 0.000 0.795 2 K CB 2.031 34.501 32.500 -0.049 0.000 1.159 2 K HN 0.205 nan 8.250 nan 0.000 0.424 3 E N 2.541 122.926 120.200 0.308 0.000 2.373 3 E HA 0.221 4.575 4.350 0.007 0.000 0.267 3 E C -0.434 176.553 176.600 0.644 0.000 1.032 3 E CA -0.013 56.645 56.400 0.429 0.000 0.889 3 E CB 0.366 30.321 29.700 0.426 0.000 0.984 3 E HN 0.330 nan 8.360 nan 0.000 0.425 4 F N -0.095 120.049 119.950 0.323 0.000 2.631 4 F HA 0.423 4.954 4.527 0.007 0.000 0.308 4 F C -1.031 174.856 175.800 0.144 0.000 1.097 4 F CA -1.680 56.347 58.000 0.044 0.000 0.952 4 F CB 0.466 39.325 39.000 -0.235 0.000 1.307 4 F HN 0.404 nan 8.300 nan 0.000 0.450 5 Y N 1.271 121.610 120.300 0.066 0.000 2.314 5 Y HA 0.694 5.248 4.550 0.007 0.000 0.334 5 Y C -0.169 175.925 175.900 0.322 0.000 1.266 5 Y CA -1.014 57.229 58.100 0.239 0.000 1.391 5 Y CB 0.597 39.177 38.460 0.200 0.000 1.306 5 Y HN 0.716 nan 8.280 nan 0.000 0.558 6 L N 0.744 122.176 121.223 0.349 0.000 2.586 6 L HA 0.246 4.590 4.340 0.007 0.000 0.204 6 L C 0.604 177.651 176.870 0.295 0.000 1.053 6 L CA 0.732 55.712 54.840 0.235 0.000 0.856 6 L CB 0.425 42.565 42.059 0.135 0.000 1.192 6 L HN 0.926 nan 8.230 nan 0.000 0.484 7 T N -2.728 112.046 114.554 0.367 0.000 2.883 7 T HA 0.682 5.037 4.350 0.007 0.000 0.296 7 T C -1.142 173.773 174.700 0.359 0.000 1.117 7 T CA -0.632 61.669 62.100 0.335 0.000 1.006 7 T CB 2.580 71.599 68.868 0.252 0.000 1.191 7 T HN -0.167 nan 8.240 nan 0.000 0.508 8 V N 0.325 120.394 119.914 0.259 0.000 3.078 8 V HA 0.939 5.063 4.120 0.007 0.000 0.311 8 V C -1.775 174.426 176.094 0.177 0.000 1.138 8 V CA -0.528 61.904 62.300 0.220 0.000 1.007 8 V CB 2.288 34.206 31.823 0.158 0.000 1.045 8 V HN 1.264 nan 8.190 nan 0.000 0.432 9 E N 2.047 122.353 120.200 0.176 0.000 2.537 9 E HA 0.270 4.624 4.350 0.007 0.000 0.301 9 E C -1.593 175.143 176.600 0.227 0.000 0.990 9 E CA -0.313 56.204 56.400 0.195 0.000 0.828 9 E CB 1.625 31.482 29.700 0.261 0.000 1.243 9 E HN 0.693 nan 8.360 nan 0.000 0.414 10 Q N 4.371 124.311 119.800 0.234 0.000 2.347 10 Q HA 0.525 4.869 4.340 0.007 0.000 0.262 10 Q C -1.112 175.034 176.000 0.243 0.000 0.980 10 Q CA -0.661 55.269 55.803 0.212 0.000 0.867 10 Q CB 0.666 29.512 28.738 0.179 0.000 1.242 10 Q HN 0.512 nan 8.270 nan 0.000 0.453 11 I N 4.745 125.446 120.570 0.218 0.000 2.411 11 I HA 0.403 4.577 4.170 0.007 0.000 0.284 11 I C 0.813 176.987 176.117 0.095 0.000 1.012 11 I CA 0.066 61.434 61.300 0.113 0.000 1.119 11 I CB 1.568 39.568 38.000 -0.001 0.000 1.261 11 I HN 0.951 nan 8.210 nan 0.000 0.448 12 G N 5.141 113.964 108.800 0.037 0.000 2.602 12 G HA2 -0.288 3.676 3.960 0.007 0.000 0.310 12 G HA3 -0.288 3.676 3.960 0.007 0.000 0.310 12 G C 0.457 175.339 174.900 -0.030 0.000 1.183 12 G CA 0.605 45.706 45.100 0.001 0.000 0.979 12 G HN 0.548 nan 8.290 nan 0.000 0.545 13 D N 1.018 121.391 120.400 -0.045 0.000 2.462 13 D HA 0.455 5.099 4.640 0.007 0.000 0.221 13 D C 0.264 176.503 176.300 -0.102 0.000 1.173 13 D CA 0.568 54.511 54.000 -0.094 0.000 0.831 13 D CB 0.871 41.611 40.800 -0.099 0.000 1.001 13 D HN 0.262 nan 8.370 nan 0.000 0.499 14 S N 0.307 115.956 115.700 -0.086 0.000 2.532 14 S HA 0.546 5.020 4.470 0.007 0.000 0.301 14 S C -0.689 173.777 174.600 -0.224 0.000 1.083 14 S CA -0.527 57.544 58.200 -0.216 0.000 1.025 14 S CB 1.463 64.469 63.200 -0.323 0.000 1.056 14 S HN -0.071 nan 8.310 nan 0.000 0.494 15 I N 3.309 123.650 120.570 -0.382 0.000 2.354 15 I HA 0.468 4.642 4.170 0.007 0.000 0.292 15 I C -1.184 174.652 176.117 -0.469 0.000 0.989 15 I CA -0.508 60.575 61.300 -0.362 0.000 1.188 15 I CB 0.871 38.491 38.000 -0.633 0.000 1.342 15 I HN 0.464 nan 8.210 nan 0.000 0.457 16 F N 5.331 125.158 119.950 -0.205 0.000 2.411 16 F HA 0.473 5.005 4.527 0.009 0.000 0.352 16 F C 0.384 176.160 175.800 -0.040 0.000 1.123 16 F CA -0.580 57.277 58.000 -0.239 0.000 1.044 16 F CB 1.141 39.718 39.000 -0.705 0.000 1.135 16 F HN 0.357 nan 8.300 nan 0.000 0.461 17 E N 4.259 124.606 120.200 0.245 0.000 2.244 17 E HA 0.404 4.759 4.350 0.007 0.000 0.260 17 E C -0.954 175.920 176.600 0.456 0.000 0.884 17 E CA -0.913 55.703 56.400 0.360 0.000 0.777 17 E CB 1.014 30.931 29.700 0.363 0.000 1.197 17 E HN 0.594 nan 8.360 nan 0.000 0.416 18 R N 3.196 123.957 120.500 0.434 0.000 2.265 18 R HA 0.282 4.626 4.340 0.007 0.000 0.314 18 R C -0.942 175.586 176.300 0.380 0.000 1.053 18 R CA -0.107 56.197 56.100 0.339 0.000 0.931 18 R CB 0.506 30.936 30.300 0.216 0.000 1.024 18 R HN 0.436 nan 8.270 nan 0.000 0.457 19 Y N 0.369 120.736 120.300 0.111 0.000 2.625 19 Y HA 0.552 5.106 4.550 0.007 0.000 0.338 19 Y C -1.251 174.581 175.900 -0.114 0.000 1.123 19 Y CA -1.632 56.491 58.100 0.038 0.000 1.046 19 Y CB 1.137 39.700 38.460 0.172 0.000 1.299 19 Y HN 0.172 nan 8.280 nan 0.000 0.464 20 I N 3.752 124.103 120.570 -0.365 0.000 2.321 20 I HA 0.192 4.366 4.170 0.007 0.000 0.291 20 I C -0.392 175.602 176.117 -0.205 0.000 0.998 20 I CA -0.510 60.503 61.300 -0.477 0.000 1.227 20 I CB 0.885 38.430 38.000 -0.760 0.000 1.368 20 I HN 0.864 nan 8.210 nan 0.000 0.466 21 D N 3.852 124.135 120.400 -0.195 0.000 2.414 21 D HA 0.035 4.680 4.640 0.007 0.000 0.251 21 D C 1.134 177.482 176.300 0.081 0.000 1.252 21 D CA -0.446 53.597 54.000 0.073 0.000 0.999 21 D CB 0.432 41.263 40.800 0.051 0.000 1.093 21 D HN 0.468 nan 8.370 nan 0.000 0.515 22 S N -1.287 114.483 115.700 0.117 0.000 2.537 22 S HA -0.144 4.330 4.470 0.007 0.000 0.240 22 S C 1.023 175.654 174.600 0.051 0.000 0.981 22 S CA 0.504 58.758 58.200 0.089 0.000 0.948 22 S CB -0.695 62.552 63.200 0.079 0.000 0.759 22 S HN 0.528 nan 8.310 nan 0.000 0.531 23 N N 0.731 119.450 118.700 0.031 0.000 2.482 23 N HA 0.224 4.968 4.740 0.007 0.000 0.179 23 N C 1.137 176.649 175.510 0.004 0.000 1.039 23 N CA 0.813 53.871 53.050 0.013 0.000 0.884 23 N CB 0.648 39.138 38.487 0.004 0.000 1.113 23 N HN 0.608 nan 8.380 nan 0.000 0.440 24 G N 0.957 109.748 108.800 -0.016 0.000 2.370 24 G HA2 -0.115 3.849 3.960 0.007 0.000 0.174 24 G HA3 -0.115 3.849 3.960 0.007 0.000 0.174 24 G C -0.141 174.717 174.900 -0.071 0.000 1.002 24 G CA -0.610 44.474 45.100 -0.027 0.000 0.730 24 G HN 0.072 nan 8.290 nan 0.000 0.497 25 R N 0.942 121.383 120.500 -0.097 0.000 2.404 25 R HA 0.492 4.836 4.340 0.007 0.000 0.291 25 R C 0.064 176.234 176.300 -0.217 0.000 1.025 25 R CA -0.488 55.535 56.100 -0.127 0.000 0.991 25 R CB 1.210 31.449 30.300 -0.101 0.000 1.053 25 R HN 0.315 nan 8.270 nan 0.000 0.479 26 E N 3.278 123.358 120.200 -0.200 0.000 2.290 26 E HA 0.064 4.418 4.350 0.007 0.000 0.277 26 E C -0.452 175.991 176.600 -0.261 0.000 1.035 26 E CA -0.158 56.096 56.400 -0.243 0.000 0.873 26 E CB 0.555 30.156 29.700 -0.164 0.000 1.029 26 E HN 0.269 nan 8.360 nan 0.000 0.419 27 R N 2.270 122.534 120.500 -0.394 0.000 2.885 27 R HA 0.529 4.873 4.340 0.007 0.000 0.260 27 R C -0.828 175.403 176.300 -0.115 0.000 1.107 27 R CA -0.735 55.180 56.100 -0.308 0.000 0.978 27 R CB 1.867 31.891 30.300 -0.460 0.000 1.227 27 R HN 0.550 nan 8.270 nan 0.000 0.473 28 T N 0.778 115.383 114.554 0.084 0.000 2.916 28 T HA 0.663 5.018 4.350 0.007 0.000 0.292 28 T C -0.444 174.444 174.700 0.313 0.000 1.055 28 T CA -0.825 61.431 62.100 0.260 0.000 1.009 28 T CB 2.345 71.365 68.868 0.253 0.000 1.118 28 T HN 0.278 nan 8.240 nan 0.000 0.497 29 R N 0.296 120.969 120.500 0.288 0.000 2.808 29 R HA 0.584 4.928 4.340 0.007 0.000 0.272 29 R C -1.159 175.114 176.300 -0.045 0.000 0.995 29 R CA -0.828 55.353 56.100 0.135 0.000 0.917 29 R CB 2.162 32.524 30.300 0.104 0.000 1.217 29 R HN 0.650 nan 8.270 nan 0.000 0.471 30 E N 1.927 122.016 120.200 -0.186 0.000 2.580 30 E HA 0.239 4.594 4.350 0.007 0.000 0.248 30 E C -1.536 174.835 176.600 -0.381 0.000 1.018 30 E CA -0.390 55.704 56.400 -0.510 0.000 0.775 30 E CB 1.457 30.881 29.700 -0.459 0.000 1.378 30 E HN 0.231 nan 8.360 nan 0.000 0.401 31 V N 3.684 123.359 119.914 -0.398 0.000 2.398 31 V HA 0.220 4.344 4.120 0.007 0.000 0.286 31 V C 0.243 176.198 176.094 -0.232 0.000 1.026 31 V CA -0.695 61.449 62.300 -0.260 0.000 0.868 31 V CB 1.525 33.204 31.823 -0.240 0.000 0.982 31 V HN 0.630 nan 8.190 nan 0.000 0.443 32 E N 3.823 123.939 120.200 -0.140 0.000 1.972 32 E HA 0.092 4.447 4.350 0.007 0.000 0.292 32 E C -0.706 175.879 176.600 -0.025 0.000 1.193 32 E CA -0.290 56.052 56.400 -0.097 0.000 1.228 32 E CB 0.051 29.700 29.700 -0.084 0.000 1.167 32 E HN 0.606 nan 8.360 nan 0.000 0.479 33 Y N 2.756 122.945 120.300 -0.185 0.000 2.610 33 Y HA -0.060 4.494 4.550 0.007 0.000 0.332 33 Y C 0.109 175.952 175.900 -0.095 0.000 1.201 33 Y CA -0.441 57.578 58.100 -0.134 0.000 1.465 33 Y CB 0.503 38.851 38.460 -0.188 0.000 1.283 33 Y HN 0.051 nan 8.280 nan 0.000 0.563 34 K N 9.153 129.365 120.400 -0.313 0.000 2.257 34 K HA 0.280 4.604 4.320 0.007 0.000 0.270 34 K C -2.608 173.576 176.600 -0.694 0.000 1.098 34 K CA -1.653 54.404 56.287 -0.382 0.000 0.943 34 K CB 0.681 33.064 32.500 -0.195 0.000 1.316 34 K HN 0.491 nan 8.250 nan 0.000 0.447 35 P HA 0.193 nan 4.420 nan 0.000 0.276 35 P C -0.515 176.719 177.300 -0.110 0.000 1.261 35 P CA -0.478 62.345 63.100 -0.462 0.000 0.800 35 P CB 0.968 32.568 31.700 -0.166 0.000 1.066 36 S N -0.210 115.476 115.700 -0.023 0.000 2.568 36 S HA 0.751 5.225 4.470 0.007 0.000 0.293 36 S C -0.357 174.209 174.600 -0.057 0.000 1.089 36 S CA -0.543 57.578 58.200 -0.132 0.000 0.945 36 S CB 0.929 63.951 63.200 -0.296 0.000 1.077 36 S HN 0.312 nan 8.310 nan 0.000 0.485 37 L N 0.933 122.003 121.223 -0.255 0.000 2.502 37 L HA 0.714 5.058 4.340 0.007 0.000 0.253 37 L C -1.736 174.808 176.870 -0.543 0.000 1.070 37 L CA -0.844 53.928 54.840 -0.113 0.000 0.871 37 L CB 1.451 43.627 42.059 0.195 0.000 1.487 37 L HN 0.559 nan 8.230 nan 0.000 0.408 38 F N 0.071 120.038 119.950 0.029 0.000 2.588 38 F HA 0.845 5.376 4.527 0.007 0.000 0.314 38 F C 0.036 175.896 175.800 0.100 0.000 1.069 38 F CA -0.654 57.338 58.000 -0.013 0.000 0.931 38 F CB 2.152 41.130 39.000 -0.036 0.000 1.260 38 F HN 0.405 nan 8.300 nan 0.000 0.465 39 A N 0.417 123.382 122.820 0.242 0.000 2.498 39 A HA 0.644 4.968 4.320 0.007 0.000 0.298 39 A C -1.415 176.228 177.584 0.098 0.000 1.075 39 A CA -0.778 51.361 52.037 0.171 0.000 0.714 39 A CB 0.900 20.097 19.000 0.328 0.000 1.299 39 A HN 0.738 nan 8.150 nan 0.000 0.407 40 H N -0.312 118.870 119.070 0.186 0.000 2.886 40 H HA 0.312 4.873 4.556 0.007 0.000 0.329 40 H C -0.292 175.110 175.328 0.123 0.000 1.044 40 H CA 0.366 56.502 56.048 0.147 0.000 1.456 40 H CB 0.508 30.343 29.762 0.120 0.000 1.464 40 H HN 0.621 nan 8.280 nan 0.000 0.573 41 C N 5.133 124.577 119.300 0.240 0.000 2.898 41 C HA 0.325 4.789 4.460 0.007 0.000 0.304 41 C C -1.741 173.331 174.990 0.137 0.000 1.237 41 C CA -1.207 57.905 59.018 0.156 0.000 1.529 41 C CB 2.186 29.997 27.740 0.117 0.000 2.021 41 C HN 0.650 nan 8.230 nan 0.000 0.474 42 P HA 0.070 nan 4.420 nan 0.000 0.281 42 P C 0.665 178.019 177.300 0.090 0.000 1.274 42 P CA 0.211 63.362 63.100 0.084 0.000 0.794 42 P CB 0.508 32.245 31.700 0.063 0.000 1.201 43 E N -0.771 119.476 120.200 0.078 0.000 2.170 43 E HA -0.046 4.308 4.350 0.007 0.000 0.191 43 E C 1.947 178.589 176.600 0.071 0.000 0.981 43 E CA 0.931 57.382 56.400 0.084 0.000 0.830 43 E CB -0.729 29.014 29.700 0.072 0.000 0.775 43 E HN 0.259 nan 8.360 nan 0.000 0.470 44 S N 1.271 117.005 115.700 0.055 0.000 2.419 44 S HA -0.115 4.359 4.470 0.007 0.000 0.233 44 S C 0.703 175.329 174.600 0.043 0.000 1.016 44 S CA 0.749 58.975 58.200 0.044 0.000 0.974 44 S CB -0.034 63.188 63.200 0.036 0.000 0.786 44 S HN 0.235 nan 8.310 nan 0.000 0.492 45 Q N 0.746 120.575 119.800 0.047 0.000 2.304 45 Q HA 0.541 4.885 4.340 0.007 0.000 0.260 45 Q C -0.284 175.740 176.000 0.041 0.000 0.965 45 Q CA -0.102 55.725 55.803 0.040 0.000 0.898 45 Q CB 0.744 29.506 28.738 0.041 0.000 1.196 45 Q HN 0.295 nan 8.270 nan 0.000 0.402 46 A N 2.715 125.553 122.820 0.031 0.000 2.438 46 A HA 0.451 4.775 4.320 0.007 0.000 0.280 46 A C 0.018 177.613 177.584 0.018 0.000 1.160 46 A CA -0.122 51.931 52.037 0.027 0.000 0.821 46 A CB -0.466 18.547 19.000 0.022 0.000 1.101 46 A HN 0.716 nan 8.150 nan 0.000 0.515 47 T N -0.825 113.729 114.554 -0.001 0.000 2.907 47 T HA 0.688 5.043 4.350 0.007 0.000 0.290 47 T C 0.040 174.650 174.700 -0.149 0.000 1.066 47 T CA -0.367 61.712 62.100 -0.035 0.000 1.012 47 T CB 1.754 70.601 68.868 -0.035 0.000 1.184 47 T HN 0.653 nan 8.240 nan 0.000 0.522 48 K N -0.691 119.596 120.400 -0.189 0.000 2.553 48 K HA 0.276 4.600 4.320 0.007 0.000 0.205 48 K C -1.243 174.977 176.600 -0.632 0.000 1.168 48 K CA -0.654 55.400 56.287 -0.390 0.000 1.043 48 K CB 0.299 32.624 32.500 -0.291 0.000 0.967 48 K HN 0.592 nan 8.250 nan 0.000 0.585 49 Y N 0.688 120.728 120.300 -0.433 0.000 2.364 49 Y HA 0.514 5.068 4.550 0.007 0.000 0.340 49 Y C -0.522 175.051 175.900 -0.544 0.000 0.975 49 Y CA -1.226 56.666 58.100 -0.347 0.000 1.089 49 Y CB 1.074 39.485 38.460 -0.083 0.000 1.192 49 Y HN -0.147 nan 8.280 nan 0.000 0.454 50 F N 1.112 121.117 119.950 0.093 0.000 2.579 50 F HA 0.366 4.897 4.527 0.007 0.000 0.324 50 F C 0.121 175.939 175.800 0.030 0.000 1.058 50 F CA -1.326 56.721 58.000 0.078 0.000 0.944 50 F CB 1.063 40.096 39.000 0.054 0.000 1.245 50 F HN 0.493 nan 8.300 nan 0.000 0.477 51 D N 0.317 120.886 120.400 0.281 0.000 2.414 51 D HA 0.124 4.768 4.640 0.007 0.000 0.251 51 D C 1.080 177.447 176.300 0.113 0.000 1.252 51 D CA -0.312 53.795 54.000 0.178 0.000 0.999 51 D CB 0.328 41.302 40.800 0.290 0.000 1.093 51 D HN 0.521 nan 8.370 nan 0.000 0.515 52 I N -3.137 117.406 120.570 -0.045 0.000 2.614 52 I HA -0.113 4.061 4.170 0.007 0.000 0.258 52 I C 1.276 177.253 176.117 -0.233 0.000 1.189 52 I CA 0.832 62.022 61.300 -0.184 0.000 1.462 52 I CB -0.755 37.079 38.000 -0.275 0.000 1.092 52 I HN 0.234 nan 8.210 nan 0.000 0.442 53 Y N 1.948 122.302 120.300 0.089 0.000 2.523 53 Y HA 0.398 4.952 4.550 0.007 0.000 0.279 53 Y C 2.138 178.045 175.900 0.012 0.000 1.139 53 Y CA 0.243 58.376 58.100 0.054 0.000 1.296 53 Y CB -0.254 38.242 38.460 0.061 0.000 1.045 53 Y HN 0.342 nan 8.280 nan 0.000 0.538 54 G N 0.206 109.088 108.800 0.137 0.000 2.157 54 G HA2 -0.264 3.700 3.960 0.007 0.000 0.239 54 G HA3 -0.264 3.700 3.960 0.007 0.000 0.239 54 G C 0.181 175.126 174.900 0.076 0.000 0.982 54 G CA -0.357 44.729 45.100 -0.023 0.000 0.650 54 G HN 0.291 nan 8.290 nan 0.000 0.527 55 K N 1.779 122.318 120.400 0.232 0.000 2.326 55 K HA 0.398 4.722 4.320 0.007 0.000 0.275 55 K C -1.994 174.881 176.600 0.457 0.000 1.018 55 K CA -1.325 55.121 56.287 0.265 0.000 0.962 55 K CB 1.016 33.626 32.500 0.183 0.000 0.953 55 K HN 0.124 nan 8.250 nan 0.000 0.475 56 P HA 0.057 nan 4.420 nan 0.000 0.271 56 P C -0.672 176.802 177.300 0.290 0.000 1.218 56 P CA -0.361 62.959 63.100 0.367 0.000 0.780 56 P CB 0.697 32.556 31.700 0.265 0.000 0.901 57 C N 1.382 120.797 119.300 0.191 0.000 2.626 57 C HA 0.508 4.973 4.460 0.007 0.000 0.310 57 C C 0.421 175.538 174.990 0.211 0.000 1.191 57 C CA -0.043 59.109 59.018 0.224 0.000 1.517 57 C CB 2.056 29.919 27.740 0.205 0.000 2.102 57 C HN 0.515 nan 8.230 nan 0.000 0.479 58 T N 2.024 116.687 114.554 0.181 0.000 2.867 58 T HA 0.447 4.801 4.350 0.007 0.000 0.282 58 T C -0.263 174.406 174.700 -0.052 0.000 1.000 58 T CA -0.258 61.888 62.100 0.077 0.000 1.042 58 T CB 0.521 69.410 68.868 0.035 0.000 0.973 58 T HN 0.692 nan 8.240 nan 0.000 0.465 59 R N 2.957 123.290 120.500 -0.280 0.000 2.312 59 R HA 0.391 4.735 4.340 0.007 0.000 0.311 59 R C -0.715 175.196 176.300 -0.648 0.000 1.004 59 R CA -0.644 54.992 56.100 -0.773 0.000 0.902 59 R CB 0.393 30.138 30.300 -0.925 0.000 1.073 59 R HN 0.318 nan 8.270 nan 0.000 0.457 60 K N 4.939 124.848 120.400 -0.819 0.000 2.358 60 K HA 0.263 4.587 4.320 0.007 0.000 0.260 60 K C -1.195 174.800 176.600 -1.009 0.000 0.956 60 K CA -0.914 54.827 56.287 -0.911 0.000 0.834 60 K CB 1.695 33.482 32.500 -1.189 0.000 1.102 60 K HN 0.417 nan 8.250 nan 0.000 0.431 61 L N 4.596 125.335 121.223 -0.807 0.000 2.257 61 L HA 0.438 4.782 4.340 0.007 0.000 0.290 61 L C -1.136 175.332 176.870 -0.670 0.000 1.044 61 L CA -0.163 54.317 54.840 -0.599 0.000 0.810 61 L CB 0.100 41.939 42.059 -0.367 0.000 1.193 61 L HN 0.345 nan 8.230 nan 0.000 0.425 62 F N 3.554 123.312 119.950 -0.320 0.000 2.397 62 F HA 0.541 5.073 4.527 0.008 0.000 0.331 62 F C 1.358 177.015 175.800 -0.238 0.000 1.090 62 F CA -0.049 57.786 58.000 -0.275 0.000 1.065 62 F CB 1.275 40.108 39.000 -0.278 0.000 1.184 62 F HN 0.645 nan 8.300 nan 0.000 0.499 63 A N 2.516 125.324 122.820 -0.020 0.000 1.841 63 A HA -0.092 4.232 4.320 0.007 0.000 0.214 63 A C 0.577 178.110 177.584 -0.085 0.000 1.195 63 A CA 1.687 53.685 52.037 -0.065 0.000 0.611 63 A CB -0.918 18.049 19.000 -0.055 0.000 0.835 63 A HN 0.883 nan 8.150 nan 0.000 0.443 64 N N -3.168 115.483 118.700 -0.082 0.000 2.531 64 N HA 0.565 5.309 4.740 0.007 0.000 0.290 64 N C 0.156 175.522 175.510 -0.241 0.000 1.257 64 N CA -0.601 52.362 53.050 -0.145 0.000 0.863 64 N CB 0.841 39.259 38.487 -0.115 0.000 1.320 64 N HN 0.073 nan 8.380 nan 0.000 0.538 65 M N -0.670 118.720 119.600 -0.351 0.000 2.288 65 M HA 0.084 4.568 4.480 0.007 0.000 0.266 65 M C 2.150 178.199 176.300 -0.418 0.000 1.072 65 M CA 0.745 55.674 55.300 -0.618 0.000 1.132 65 M CB -0.169 31.935 32.600 -0.826 0.000 1.386 65 M HN 0.603 nan 8.290 nan 0.000 0.432 66 R N 0.979 121.337 120.500 -0.238 0.000 2.119 66 R HA -0.225 4.119 4.340 0.007 0.000 0.246 66 R C 1.285 177.512 176.300 -0.123 0.000 1.146 66 R CA 2.281 58.299 56.100 -0.136 0.000 0.962 66 R CB -0.259 29.990 30.300 -0.085 0.000 0.863 66 R HN 0.298 nan 8.270 nan 0.000 0.442 67 D N -0.154 120.167 120.400 -0.132 0.000 2.097 67 D HA -0.085 4.559 4.640 0.007 0.000 0.197 67 D C 1.772 177.902 176.300 -0.284 0.000 0.984 67 D CA 1.611 55.561 54.000 -0.083 0.000 0.826 67 D CB -0.375 40.442 40.800 0.028 0.000 0.973 67 D HN 0.382 nan 8.370 nan 0.000 0.460 68 A N 0.252 122.708 122.820 -0.607 0.000 1.940 68 A HA -0.197 4.127 4.320 0.007 0.000 0.219 68 A C 2.295 179.626 177.584 -0.422 0.000 1.176 68 A CA 2.281 53.620 52.037 -1.164 0.000 0.631 68 A CB -0.693 17.805 19.000 -0.836 0.000 0.814 68 A HN 0.246 nan 8.150 nan 0.000 0.446 69 S N -1.162 114.462 115.700 -0.126 0.000 2.362 69 S HA -0.163 4.312 4.470 0.007 0.000 0.221 69 S C 2.136 176.760 174.600 0.040 0.000 1.032 69 S CA 1.279 59.524 58.200 0.075 0.000 0.973 69 S CB -0.405 62.865 63.200 0.117 0.000 0.849 69 S HN 0.647 nan 8.310 nan 0.000 0.465 70 Q N -0.748 119.059 119.800 0.012 0.000 2.152 70 Q HA -0.219 4.125 4.340 0.007 0.000 0.206 70 Q C 1.745 177.791 176.000 0.077 0.000 0.985 70 Q CA 2.001 57.825 55.803 0.035 0.000 0.863 70 Q CB -0.303 28.457 28.738 0.038 0.000 0.904 70 Q HN 0.763 nan 8.270 nan 0.000 0.422 71 W N 1.155 122.397 121.300 -0.097 0.000 2.332 71 W HA -0.226 4.438 4.660 0.007 0.000 0.321 71 W C 1.767 178.273 176.519 -0.020 0.000 1.219 71 W CA 1.689 59.014 57.345 -0.034 0.000 1.277 71 W CB -0.456 28.975 29.460 -0.048 0.000 1.161 71 W HN 0.048 nan 8.180 nan 0.000 0.476 72 I N 1.090 121.736 120.570 0.126 0.000 2.113 72 I HA -0.420 3.755 4.170 0.007 0.000 0.242 72 I C 2.383 178.435 176.117 -0.108 0.000 1.064 72 I CA 2.477 63.773 61.300 -0.008 0.000 1.320 72 I CB -0.901 37.141 38.000 0.069 0.000 1.028 72 I HN 0.071 nan 8.210 nan 0.000 0.406 73 K N 1.924 122.287 120.400 -0.061 0.000 2.432 73 K HA -0.100 4.224 4.320 0.007 0.000 0.196 73 K C 1.970 178.511 176.600 -0.098 0.000 1.038 73 K CA 0.830 57.077 56.287 -0.066 0.000 0.986 73 K CB -0.229 32.253 32.500 -0.029 0.000 0.782 73 K HN 0.430 nan 8.250 nan 0.000 0.485 74 R N -0.407 120.007 120.500 -0.144 0.000 2.246 74 R HA 0.187 4.531 4.340 0.007 0.000 0.199 74 R C 1.730 177.875 176.300 -0.258 0.000 0.984 74 R CA 0.244 56.243 56.100 -0.168 0.000 1.015 74 R CB -0.109 30.112 30.300 -0.133 0.000 0.930 74 R HN 0.099 nan 8.270 nan 0.000 0.475 75 M N 1.474 120.846 119.600 -0.380 0.000 2.193 75 M HA 0.006 4.490 4.480 0.007 0.000 0.265 75 M C 1.634 177.793 176.300 -0.234 0.000 1.071 75 M CA 1.600 56.640 55.300 -0.432 0.000 1.140 75 M CB -0.333 31.853 32.600 -0.690 0.000 1.369 75 M HN 0.250 nan 8.290 nan 0.000 0.423 76 E N 0.071 120.168 120.200 -0.172 0.000 2.107 76 E HA -0.173 4.182 4.350 0.007 0.000 0.191 76 E C 1.477 178.024 176.600 -0.090 0.000 0.982 76 E CA 1.057 57.393 56.400 -0.107 0.000 0.809 76 E CB -0.123 29.528 29.700 -0.081 0.000 0.756 76 E HN 0.447 nan 8.360 nan 0.000 0.459 77 D N 1.098 121.442 120.400 -0.094 0.000 2.106 77 D HA -0.167 4.477 4.640 0.007 0.000 0.191 77 D C 1.829 178.087 176.300 -0.070 0.000 0.997 77 D CA 1.082 55.038 54.000 -0.074 0.000 0.834 77 D CB -0.048 40.709 40.800 -0.071 0.000 0.956 77 D HN 0.077 nan 8.370 nan 0.000 0.448 78 I N -0.836 119.680 120.570 -0.090 0.000 2.315 78 I HA -0.065 4.110 4.170 0.007 0.000 0.248 78 I C 1.198 177.278 176.117 -0.062 0.000 1.117 78 I CA 1.052 62.307 61.300 -0.074 0.000 1.404 78 I CB -0.019 37.927 38.000 -0.089 0.000 1.071 78 I HN 0.254 nan 8.210 nan 0.000 0.419 79 G N 1.476 110.232 108.800 -0.073 0.000 2.356 79 G HA2 -0.179 3.786 3.960 0.007 0.000 0.233 79 G HA3 -0.179 3.786 3.960 0.007 0.000 0.233 79 G C -0.355 174.523 174.900 -0.038 0.000 1.105 79 G CA -0.501 44.567 45.100 -0.053 0.000 0.861 79 G HN 0.209 nan 8.290 nan 0.000 0.493 80 L N -0.310 120.878 121.223 -0.058 0.000 2.386 80 L HA 0.520 4.864 4.340 0.007 0.000 0.271 80 L C 0.664 177.513 176.870 -0.034 0.000 0.993 80 L CA -1.031 53.796 54.840 -0.021 0.000 0.819 80 L CB 2.073 44.117 42.059 -0.026 0.000 1.294 80 L HN 0.308 nan 8.230 nan 0.000 0.414 81 E N 2.106 122.326 120.200 0.033 0.000 2.498 81 E HA 0.125 4.479 4.350 0.007 0.000 0.252 81 E C -0.274 176.320 176.600 -0.010 0.000 1.025 81 E CA -0.251 56.162 56.400 0.021 0.000 0.938 81 E CB 0.778 30.527 29.700 0.083 0.000 0.947 81 E HN 0.601 nan 8.360 nan 0.000 0.478 82 A N 6.130 128.952 122.820 0.003 0.000 2.506 82 A HA 0.285 4.610 4.320 0.007 0.000 0.320 82 A C -0.539 177.145 177.584 0.167 0.000 1.424 82 A CA -0.523 51.582 52.037 0.114 0.000 1.044 82 A CB -0.016 19.016 19.000 0.054 0.000 1.140 82 A HN 0.561 nan 8.150 nan 0.000 0.538 83 L N 1.928 123.274 121.223 0.206 0.000 2.456 83 L HA 0.754 5.099 4.340 0.007 0.000 0.257 83 L C 1.051 178.092 176.870 0.286 0.000 1.162 83 L CA 1.246 56.196 54.840 0.182 0.000 0.808 83 L CB 0.768 42.906 42.059 0.133 0.000 1.136 83 L HN 1.110 nan 8.230 nan 0.000 0.466 84 G N 1.349 110.284 108.800 0.226 0.000 2.555 84 G HA2 -0.025 3.939 3.960 0.007 0.000 0.686 84 G HA3 -0.025 3.939 3.960 0.007 0.000 0.686 84 G C -0.939 174.032 174.900 0.120 0.000 1.275 84 G CA -0.707 44.570 45.100 0.295 0.000 0.871 84 G HN 0.569 nan 8.290 nan 0.000 0.603 85 M N 1.720 121.365 119.600 0.076 0.000 2.364 85 M HA 0.382 4.866 4.480 0.007 0.000 0.342 85 M C 1.298 177.428 176.300 -0.283 0.000 1.601 85 M CA 0.057 55.215 55.300 -0.236 0.000 1.156 85 M CB 0.200 32.425 32.600 -0.625 0.000 1.912 85 M HN 0.599 nan 8.290 nan 0.000 0.460 86 D N 1.364 121.553 120.400 -0.352 0.000 2.348 86 D HA -0.034 4.610 4.640 0.007 0.000 0.211 86 D C -0.043 175.753 176.300 -0.841 0.000 0.998 86 D CA 0.343 53.996 54.000 -0.578 0.000 0.873 86 D CB -0.143 40.469 40.800 -0.313 0.000 0.925 86 D HN 0.592 nan 8.370 nan 0.000 0.524 87 D N 0.067 120.158 120.400 -0.515 0.000 2.522 87 D HA 0.018 4.662 4.640 0.007 0.000 0.218 87 D C 0.175 176.333 176.300 -0.237 0.000 1.149 87 D CA -0.380 53.409 54.000 -0.352 0.000 0.981 87 D CB -0.015 40.672 40.800 -0.188 0.000 1.041 87 D HN 0.010 nan 8.370 nan 0.000 0.518 88 F N 1.929 121.904 119.950 0.042 0.000 2.184 88 F HA -0.212 4.319 4.527 0.006 0.000 0.301 88 F C 2.367 178.268 175.800 0.169 0.000 1.076 88 F CA 0.913 58.997 58.000 0.140 0.000 1.295 88 F CB -0.294 38.794 39.000 0.147 0.000 1.026 88 F HN 0.225 nan 8.300 nan 0.000 0.494 89 K N 0.388 120.933 120.400 0.240 0.000 2.032 89 K HA -0.180 4.144 4.320 0.007 0.000 0.209 89 K C 2.052 178.736 176.600 0.140 0.000 1.048 89 K CA 1.620 58.009 56.287 0.170 0.000 0.927 89 K CB -0.593 31.970 32.500 0.104 0.000 0.712 89 K HN 0.298 nan 8.250 nan 0.000 0.441 90 L N 0.486 121.743 121.223 0.057 0.000 1.988 90 L HA -0.158 4.186 4.340 0.007 0.000 0.207 90 L C 2.651 179.595 176.870 0.122 0.000 1.071 90 L CA 1.179 56.034 54.840 0.025 0.000 0.744 90 L CB -0.692 41.324 42.059 -0.071 0.000 0.893 90 L HN 0.193 nan 8.230 nan 0.000 0.433 91 A N -0.419 122.464 122.820 0.104 0.000 1.940 91 A HA -0.343 3.982 4.320 0.007 0.000 0.221 91 A C 2.241 180.039 177.584 0.357 0.000 1.190 91 A CA 2.320 54.573 52.037 0.360 0.000 0.647 91 A CB -1.141 18.082 19.000 0.371 0.000 0.821 91 A HN 0.542 nan 8.150 nan 0.000 0.457 92 Y N 0.529 120.864 120.300 0.058 0.000 2.097 92 Y HA -0.185 4.369 4.550 0.007 0.000 0.282 92 Y C 1.983 177.773 175.900 -0.183 0.000 1.152 92 Y CA 1.898 59.773 58.100 -0.375 0.000 1.136 92 Y CB -0.530 37.538 38.460 -0.654 0.000 0.975 92 Y HN 0.229 nan 8.280 nan 0.000 0.498 93 L N -0.898 120.146 121.223 -0.299 0.000 2.042 93 L HA -0.242 4.102 4.340 0.007 0.000 0.210 93 L C 2.809 179.612 176.870 -0.113 0.000 1.076 93 L CA 1.696 56.361 54.840 -0.292 0.000 0.749 93 L CB -1.006 40.914 42.059 -0.232 0.000 0.893 93 L HN 0.227 nan 8.230 nan 0.000 0.432 94 S N -0.272 115.434 115.700 0.010 0.000 2.383 94 S HA -0.212 4.262 4.470 0.007 0.000 0.229 94 S C 1.559 176.130 174.600 -0.048 0.000 1.030 94 S CA 1.742 59.970 58.200 0.047 0.000 1.002 94 S CB -0.206 63.120 63.200 0.210 0.000 0.829 94 S HN 0.408 nan 8.310 nan 0.000 0.467 95 D N 0.397 120.759 120.400 -0.064 0.000 2.117 95 D HA -0.028 4.616 4.640 0.007 0.000 0.198 95 D C 2.045 178.202 176.300 -0.239 0.000 0.982 95 D CA 1.584 55.539 54.000 -0.075 0.000 0.828 95 D CB -0.655 40.169 40.800 0.040 0.000 0.967 95 D HN 0.428 nan 8.370 nan 0.000 0.464 96 T N -0.986 113.265 114.554 -0.505 0.000 3.043 96 T HA -0.063 4.291 4.350 0.007 0.000 0.263 96 T C 0.237 174.378 174.700 -0.932 0.000 1.094 96 T CA 0.563 62.197 62.100 -0.777 0.000 1.127 96 T CB -0.041 68.100 68.868 -1.213 0.000 0.905 96 T HN 0.139 nan 8.240 nan 0.000 0.490 97 Y N 1.589 121.670 120.300 -0.365 0.000 2.553 97 Y HA 0.424 4.978 4.550 0.007 0.000 0.369 97 Y C 0.510 175.985 175.900 -0.708 0.000 0.964 97 Y CA -1.848 55.851 58.100 -0.667 0.000 1.156 97 Y CB -0.402 37.800 38.460 -0.431 0.000 1.218 97 Y HN -0.034 nan 8.280 nan 0.000 0.630 98 N N 2.359 120.816 118.700 -0.405 0.000 3.115 98 N HA 0.069 4.814 4.740 0.007 0.000 0.305 98 N C -1.377 174.146 175.510 0.022 0.000 1.305 98 N CA 0.206 53.176 53.050 -0.133 0.000 1.154 98 N CB -0.665 37.819 38.487 -0.005 0.000 1.454 98 N HN 0.441 nan 8.380 nan 0.000 0.551 99 Y N -2.924 117.423 120.300 0.078 0.000 2.774 99 Y HA 0.333 4.887 4.550 0.007 0.000 0.346 99 Y C -0.549 175.384 175.900 0.056 0.000 1.222 99 Y CA -1.489 56.646 58.100 0.059 0.000 1.088 99 Y CB 0.387 38.887 38.460 0.067 0.000 1.354 99 Y HN -0.064 nan 8.280 nan 0.000 0.455 100 E N 1.714 122.069 120.200 0.258 0.000 2.366 100 E HA 0.295 4.649 4.350 0.007 0.000 0.266 100 E C -0.901 175.848 176.600 0.248 0.000 1.015 100 E CA -0.229 56.263 56.400 0.152 0.000 0.906 100 E CB 0.507 30.260 29.700 0.088 0.000 0.979 100 E HN 0.593 nan 8.360 nan 0.000 0.443 101 I N 5.387 126.052 120.570 0.158 0.000 2.379 101 I HA 0.042 4.217 4.170 0.007 0.000 0.290 101 I C 0.304 176.422 176.117 0.002 0.000 1.063 101 I CA 0.157 61.531 61.300 0.123 0.000 1.351 101 I CB 0.607 38.629 38.000 0.037 0.000 1.410 101 I HN 0.399 nan 8.210 nan 0.000 0.505 102 K N 7.449 127.804 120.400 -0.075 0.000 2.847 102 K HA 0.173 4.498 4.320 0.007 0.000 0.213 102 K C -0.528 175.803 176.600 -0.449 0.000 1.174 102 K CA -0.516 55.647 56.287 -0.205 0.000 1.095 102 K CB 0.172 32.595 32.500 -0.128 0.000 1.581 102 K HN 0.439 nan 8.250 nan 0.000 0.514 103 Y N -0.893 118.955 120.300 -0.752 0.000 2.459 103 Y HA 0.136 4.691 4.550 0.008 0.000 0.349 103 Y C 0.052 175.491 175.900 -0.769 0.000 1.266 103 Y CA -0.599 56.661 58.100 -1.400 0.000 1.483 103 Y CB 0.465 37.905 38.460 -1.701 0.000 1.362 103 Y HN 0.122 nan 8.280 nan 0.000 0.628 104 D N 1.259 121.306 120.400 -0.588 0.000 2.469 104 D HA 0.076 4.720 4.640 0.007 0.000 0.251 104 D C 0.732 177.058 176.300 0.043 0.000 1.173 104 D CA -0.572 53.287 54.000 -0.236 0.000 0.882 104 D CB 0.057 40.801 40.800 -0.093 0.000 1.129 104 D HN 0.866 nan 8.370 nan 0.000 0.549 105 H N 1.663 120.815 119.070 0.137 0.000 2.518 105 H HA -0.109 4.451 4.556 0.007 0.000 0.292 105 H C 0.665 176.099 175.328 0.177 0.000 1.068 105 H CA 1.509 57.704 56.048 0.244 0.000 1.275 105 H CB -0.271 29.636 29.762 0.242 0.000 1.375 105 H HN 0.328 nan 8.280 nan 0.000 0.563 106 T N -0.939 113.571 114.554 -0.072 0.000 3.113 106 T HA 0.082 4.437 4.350 0.007 0.000 0.256 106 T C 1.409 176.156 174.700 0.078 0.000 1.131 106 T CA 0.134 62.247 62.100 0.021 0.000 1.074 106 T CB 0.089 68.897 68.868 -0.099 0.000 0.944 106 T HN 0.414 nan 8.240 nan 0.000 0.516 107 K N 0.703 121.177 120.400 0.124 0.000 2.358 107 K HA 0.343 4.667 4.320 0.007 0.000 0.200 107 K C 0.061 176.735 176.600 0.123 0.000 1.030 107 K CA -0.065 56.288 56.287 0.111 0.000 1.097 107 K CB 0.653 33.224 32.500 0.117 0.000 0.862 107 K HN 0.421 nan 8.250 nan 0.000 0.534 108 I N 2.334 123.020 120.570 0.194 0.000 2.315 108 I HA 0.186 4.361 4.170 0.007 0.000 0.291 108 I C 0.253 176.446 176.117 0.126 0.000 1.006 108 I CA -0.708 60.701 61.300 0.181 0.000 1.265 108 I CB 0.896 39.058 38.000 0.269 0.000 1.387 108 I HN -0.078 nan 8.210 nan 0.000 0.475 109 R N 6.126 126.662 120.500 0.059 0.000 2.288 109 R HA 0.387 4.731 4.340 0.007 0.000 0.330 109 R C -1.231 175.100 176.300 0.053 0.000 1.069 109 R CA -0.250 55.865 56.100 0.025 0.000 0.941 109 R CB 0.489 30.752 30.300 -0.062 0.000 0.998 109 R HN 0.483 nan 8.270 nan 0.000 0.452 110 V N 4.118 124.097 119.914 0.107 0.000 2.384 110 V HA 0.580 4.705 4.120 0.007 0.000 0.287 110 V C -0.063 176.145 176.094 0.190 0.000 1.020 110 V CA -0.748 61.644 62.300 0.152 0.000 0.850 110 V CB 1.363 33.303 31.823 0.196 0.000 0.987 110 V HN 0.883 nan 8.190 nan 0.000 0.436 111 A N 5.111 128.035 122.820 0.173 0.000 2.350 111 A HA 0.921 5.245 4.320 0.007 0.000 0.324 111 A C -0.496 177.239 177.584 0.252 0.000 1.118 111 A CA -0.715 51.441 52.037 0.199 0.000 0.783 111 A CB 1.246 20.299 19.000 0.087 0.000 1.236 111 A HN 0.881 nan 8.150 nan 0.000 0.457 112 N N 0.029 118.925 118.700 0.328 0.000 2.242 112 N HA 0.747 5.491 4.740 0.007 0.000 0.292 112 N C -1.322 174.471 175.510 0.471 0.000 1.125 112 N CA -0.479 52.813 53.050 0.404 0.000 0.783 112 N CB 2.122 40.812 38.487 0.339 0.000 1.558 112 N HN 0.772 nan 8.380 nan 0.000 0.472 113 F N -1.309 118.746 119.950 0.176 0.000 2.628 113 F HA 0.624 5.154 4.527 0.006 0.000 0.309 113 F C -1.799 174.138 175.800 0.229 0.000 1.108 113 F CA -1.122 57.004 58.000 0.210 0.000 0.971 113 F CB 1.539 40.635 39.000 0.160 0.000 1.279 113 F HN 0.329 nan 8.300 nan 0.000 0.441 114 D N 2.551 123.012 120.400 0.101 0.000 2.362 114 D HA 0.594 5.238 4.640 0.007 0.000 0.247 114 D C -1.277 175.050 176.300 0.044 0.000 1.050 114 D CA -0.218 53.770 54.000 -0.020 0.000 0.839 114 D CB 2.003 42.827 40.800 0.041 0.000 1.283 114 D HN 0.530 nan 8.370 nan 0.000 0.477 115 I N 2.995 123.585 120.570 0.035 0.000 2.392 115 I HA 0.269 4.443 4.170 0.007 0.000 0.295 115 I C 0.048 176.230 176.117 0.109 0.000 0.985 115 I CA -0.510 60.858 61.300 0.115 0.000 1.221 115 I CB 1.485 39.580 38.000 0.158 0.000 1.366 115 I HN 0.207 nan 8.210 nan 0.000 0.467 116 E N 5.141 125.386 120.200 0.075 0.000 2.212 116 E HA 0.706 5.060 4.350 0.007 0.000 0.268 116 E C -1.239 175.440 176.600 0.132 0.000 0.902 116 E CA -0.631 55.794 56.400 0.041 0.000 0.779 116 E CB 2.454 32.065 29.700 -0.148 0.000 1.172 116 E HN 0.198 nan 8.360 nan 0.000 0.409 117 V N 1.591 121.575 119.914 0.116 0.000 2.733 117 V HA 0.319 4.443 4.120 0.007 0.000 0.306 117 V C -0.230 175.902 176.094 0.063 0.000 1.084 117 V CA -0.789 61.572 62.300 0.102 0.000 0.905 117 V CB 2.380 34.182 31.823 -0.036 0.000 1.010 117 V HN 0.619 nan 8.190 nan 0.000 0.424 118 T N 2.845 117.409 114.554 0.017 0.000 2.882 118 T HA 0.557 4.911 4.350 0.007 0.000 0.287 118 T C -0.146 174.306 174.700 -0.414 0.000 0.992 118 T CA -0.251 61.738 62.100 -0.185 0.000 1.076 118 T CB 1.297 69.984 68.868 -0.300 0.000 0.961 118 T HN 0.700 nan 8.240 nan 0.000 0.490 119 S N 2.841 118.269 115.700 -0.453 0.000 2.706 119 S HA 0.387 4.861 4.470 0.007 0.000 0.270 119 S C -2.086 172.290 174.600 -0.374 0.000 1.163 119 S CA -1.178 56.666 58.200 -0.594 0.000 1.042 119 S CB 1.314 64.339 63.200 -0.292 0.000 1.079 119 S HN 0.455 nan 8.310 nan 0.000 0.474 120 P HA 0.097 nan 4.420 nan 0.000 0.229 120 P C 0.338 177.624 177.300 -0.024 0.000 1.160 120 P CA 0.616 63.625 63.100 -0.152 0.000 0.777 120 P CB 0.029 31.671 31.700 -0.096 0.000 0.814 121 D N -0.187 120.226 120.400 0.022 0.000 2.371 121 D HA 0.193 4.837 4.640 0.007 0.000 0.234 121 D C 1.380 177.765 176.300 0.141 0.000 1.049 121 D CA 1.168 55.262 54.000 0.156 0.000 0.907 121 D CB -0.309 40.710 40.800 0.365 0.000 0.891 121 D HN 0.189 nan 8.370 nan 0.000 0.531 122 G N 0.559 109.416 108.800 0.095 0.000 2.542 122 G HA2 -0.304 3.660 3.960 0.007 0.000 0.235 122 G HA3 -0.304 3.660 3.960 0.007 0.000 0.235 122 G C -0.233 174.775 174.900 0.181 0.000 1.286 122 G CA -0.570 44.612 45.100 0.137 0.000 0.904 122 G HN 0.228 nan 8.290 nan 0.000 0.577 123 F N 4.517 124.520 119.950 0.087 0.000 2.602 123 F HA 0.454 4.983 4.527 0.002 0.000 0.385 123 F C -0.890 175.010 175.800 0.167 0.000 1.063 123 F CA -0.840 57.218 58.000 0.098 0.000 1.233 123 F CB 0.570 39.620 39.000 0.083 0.000 1.067 123 F HN 0.345 nan 8.300 nan 0.000 0.564 124 P HA 0.051 nan 4.420 nan 0.000 0.280 124 P C -1.054 176.058 177.300 -0.314 0.000 1.300 124 P CA -0.152 62.806 63.100 -0.237 0.000 0.785 124 P CB 0.707 32.287 31.700 -0.201 0.000 0.874 125 E N 5.502 125.734 120.200 0.054 0.000 2.265 125 E HA 0.087 4.441 4.350 0.007 0.000 0.272 125 E C -1.613 175.129 176.600 0.236 0.000 1.067 125 E CA -1.957 54.561 56.400 0.197 0.000 0.900 125 E CB 0.408 30.231 29.700 0.205 0.000 1.017 125 E HN 0.344 nan 8.360 nan 0.000 0.431 126 P HA -0.160 nan 4.420 nan 0.000 0.221 126 P C 1.353 178.710 177.300 0.094 0.000 1.145 126 P CA 1.164 64.412 63.100 0.245 0.000 0.795 126 P CB 0.299 32.078 31.700 0.133 0.000 0.775 127 S N -1.153 114.608 115.700 0.101 0.000 2.428 127 S HA -0.142 4.332 4.470 0.007 0.000 0.230 127 S C 1.740 176.345 174.600 0.008 0.000 1.014 127 S CA 0.920 59.153 58.200 0.056 0.000 0.957 127 S CB -0.785 62.456 63.200 0.070 0.000 0.784 127 S HN 0.235 nan 8.310 nan 0.000 0.499 128 Q N 0.261 120.064 119.800 0.005 0.000 2.280 128 Q HA 0.554 4.899 4.340 0.007 0.000 0.228 128 Q C 0.831 176.762 176.000 -0.115 0.000 0.857 128 Q CA 0.231 56.011 55.803 -0.038 0.000 0.939 128 Q CB 0.336 29.071 28.738 -0.005 0.000 1.114 128 Q HN 0.617 nan 8.270 nan 0.000 0.514 129 A N 1.788 124.495 122.820 -0.188 0.000 2.500 129 A HA -0.333 3.991 4.320 0.007 0.000 0.296 129 A C 1.196 178.651 177.584 -0.216 0.000 1.469 129 A CA 1.374 53.117 52.037 -0.490 0.000 0.793 129 A CB -1.358 17.174 19.000 -0.779 0.000 1.042 129 A HN 0.371 nan 8.150 nan 0.000 0.409 130 K N -0.555 119.774 120.400 -0.118 0.000 2.147 130 K HA -0.106 4.219 4.320 0.007 0.000 0.205 130 K C 0.795 177.225 176.600 -0.283 0.000 1.049 130 K CA 1.492 57.620 56.287 -0.264 0.000 0.936 130 K CB -0.049 32.196 32.500 -0.426 0.000 0.722 130 K HN 0.870 nan 8.250 nan 0.000 0.446 131 H N -0.987 118.195 119.070 0.187 0.000 2.710 131 H HA 0.329 4.892 4.556 0.013 0.000 0.361 131 H C -2.470 173.004 175.328 0.244 0.000 1.175 131 H CA -2.818 53.370 56.048 0.234 0.000 1.206 131 H CB 1.298 31.213 29.762 0.254 0.000 1.750 131 H HN -0.083 nan 8.280 nan 0.000 0.553 132 P HA 0.262 nan 4.420 nan 0.000 0.288 132 P C 0.071 177.537 177.300 0.276 0.000 1.267 132 P CA -0.508 62.738 63.100 0.244 0.000 0.815 132 P CB 0.909 32.716 31.700 0.177 0.000 0.989 133 I N 2.634 123.353 120.570 0.248 0.000 2.556 133 I HA 0.057 4.231 4.170 0.007 0.000 0.284 133 I C 0.801 177.027 176.117 0.182 0.000 1.114 133 I CA 0.542 61.978 61.300 0.227 0.000 1.418 133 I CB 0.289 38.397 38.000 0.181 0.000 1.394 133 I HN 0.432 nan 8.210 nan 0.000 0.552 134 D N 3.601 124.128 120.400 0.212 0.000 2.520 134 D HA 0.384 5.028 4.640 0.007 0.000 0.223 134 D C -0.139 176.336 176.300 0.290 0.000 1.186 134 D CA -0.163 53.980 54.000 0.239 0.000 0.821 134 D CB 0.775 41.722 40.800 0.245 0.000 1.072 134 D HN 0.471 nan 8.370 nan 0.000 0.518 135 A N 0.374 123.335 122.820 0.235 0.000 2.513 135 A HA 0.663 4.987 4.320 0.007 0.000 0.296 135 A C -1.562 176.112 177.584 0.150 0.000 1.052 135 A CA -0.686 51.475 52.037 0.206 0.000 0.714 135 A CB 1.006 20.095 19.000 0.147 0.000 1.279 135 A HN 0.137 nan 8.150 nan 0.000 0.397 136 I N 1.570 122.257 120.570 0.194 0.000 2.533 136 I HA 0.533 4.707 4.170 0.007 0.000 0.290 136 I C -0.490 175.850 176.117 0.373 0.000 1.056 136 I CA -0.384 61.031 61.300 0.192 0.000 1.057 136 I CB 2.867 40.806 38.000 -0.102 0.000 1.240 136 I HN 0.591 nan 8.210 nan 0.000 0.423 137 T N 3.238 118.026 114.554 0.390 0.000 2.848 137 T HA 0.386 4.740 4.350 0.007 0.000 0.285 137 T C -1.123 173.980 174.700 0.671 0.000 0.995 137 T CA -0.575 61.816 62.100 0.485 0.000 0.970 137 T CB 1.053 70.113 68.868 0.319 0.000 0.976 137 T HN 0.530 nan 8.240 nan 0.000 0.441 138 H N 1.806 121.287 119.070 0.687 0.000 2.906 138 H HA 0.443 5.003 4.556 0.007 0.000 0.324 138 H C -1.597 174.150 175.328 0.699 0.000 0.973 138 H CA -0.771 55.732 56.048 0.758 0.000 1.321 138 H CB 0.709 31.006 29.762 0.891 0.000 1.535 138 H HN 0.682 nan 8.280 nan 0.000 0.518 139 Y N 4.569 125.199 120.300 0.550 0.000 2.313 139 Y HA 0.209 4.763 4.550 0.007 0.000 0.332 139 Y C -0.574 175.553 175.900 0.378 0.000 1.071 139 Y CA -0.356 57.921 58.100 0.295 0.000 1.169 139 Y CB 0.826 39.285 38.460 -0.002 0.000 1.192 139 Y HN 0.626 nan 8.280 nan 0.000 0.487 140 D N 3.230 123.461 120.400 -0.281 0.000 2.217 140 D HA 0.083 4.727 4.640 0.007 0.000 0.243 140 D C 0.622 176.612 176.300 -0.516 0.000 1.054 140 D CA 0.044 53.947 54.000 -0.161 0.000 0.838 140 D CB 1.969 42.803 40.800 0.056 0.000 1.162 140 D HN 0.740 nan 8.370 nan 0.000 0.472 141 S N 3.236 118.888 115.700 -0.080 0.000 2.453 141 S HA -0.069 4.405 4.470 0.007 0.000 0.231 141 S C 1.830 176.455 174.600 0.042 0.000 1.005 141 S CA 0.459 58.719 58.200 0.100 0.000 0.949 141 S CB -0.106 63.233 63.200 0.231 0.000 0.774 141 S HN 0.614 nan 8.310 nan 0.000 0.510 142 I N 1.394 121.959 120.570 -0.008 0.000 2.556 142 I HA 0.015 4.189 4.170 0.007 0.000 0.251 142 I C 1.782 177.895 176.117 -0.007 0.000 1.105 142 I CA 0.749 62.055 61.300 0.010 0.000 1.436 142 I CB -0.206 37.795 38.000 0.002 0.000 1.139 142 I HN 0.198 nan 8.210 nan 0.000 0.438 143 D N 0.454 120.841 120.400 -0.022 0.000 2.224 143 D HA -0.166 4.478 4.640 0.007 0.000 0.205 143 D C 0.406 176.666 176.300 -0.067 0.000 0.965 143 D CA 1.010 55.018 54.000 0.013 0.000 0.852 143 D CB -0.261 40.636 40.800 0.160 0.000 0.947 143 D HN 0.221 nan 8.370 nan 0.000 0.494 144 D N 0.534 120.802 120.400 -0.220 0.000 2.705 144 D HA -0.165 4.479 4.640 0.007 0.000 0.240 144 D C -0.930 175.208 176.300 -0.271 0.000 1.137 144 D CA 0.531 54.369 54.000 -0.270 0.000 0.677 144 D CB -0.492 40.318 40.800 0.016 0.000 1.049 144 D HN 0.074 nan 8.370 nan 0.000 0.427 145 R N 0.471 120.688 120.500 -0.472 0.000 2.621 145 R HA 0.395 4.740 4.340 0.007 0.000 0.284 145 R C -0.445 175.616 176.300 -0.398 0.000 0.998 145 R CA -0.709 55.151 56.100 -0.399 0.000 0.895 145 R CB 0.582 30.532 30.300 -0.585 0.000 1.195 145 R HN 0.015 nan 8.270 nan 0.000 0.450 146 F N 2.810 122.773 119.950 0.022 0.000 2.404 146 F HA 0.268 4.799 4.527 0.006 0.000 0.359 146 F C 0.265 176.062 175.800 -0.006 0.000 1.134 146 F CA -0.324 57.785 58.000 0.182 0.000 1.160 146 F CB 0.302 39.415 39.000 0.189 0.000 1.186 146 F HN 0.298 nan 8.300 nan 0.000 0.526 147 Y N 2.769 123.245 120.300 0.294 0.000 2.504 147 Y HA 0.389 4.943 4.550 0.007 0.000 0.351 147 Y C 0.065 175.994 175.900 0.049 0.000 0.988 147 Y CA -0.763 57.358 58.100 0.034 0.000 1.239 147 Y CB 0.477 38.822 38.460 -0.191 0.000 1.128 147 Y HN 0.197 nan 8.280 nan 0.000 0.525 148 V N 5.307 125.243 119.914 0.036 0.000 2.407 148 V HA 0.243 4.368 4.120 0.007 0.000 0.278 148 V C -0.499 175.529 176.094 -0.109 0.000 1.037 148 V CA -0.813 61.532 62.300 0.076 0.000 0.900 148 V CB 0.493 32.349 31.823 0.055 0.000 0.983 148 V HN 0.446 nan 8.190 nan 0.000 0.459 149 F N 2.864 122.924 119.950 0.183 0.000 2.325 149 F HA 0.414 4.946 4.527 0.009 0.000 0.369 149 F C 0.105 176.063 175.800 0.264 0.000 1.095 149 F CA -0.697 57.469 58.000 0.276 0.000 1.082 149 F CB 1.231 40.345 39.000 0.189 0.000 1.289 149 F HN 0.441 nan 8.300 nan 0.000 0.462 150 D N 3.740 124.367 120.400 0.378 0.000 2.280 150 D HA 0.313 4.957 4.640 0.007 0.000 0.236 150 D C -1.083 175.470 176.300 0.421 0.000 1.082 150 D CA -0.453 53.771 54.000 0.374 0.000 0.834 150 D CB 1.334 42.374 40.800 0.400 0.000 1.100 150 D HN 0.337 nan 8.370 nan 0.000 0.486 151 L N 4.568 126.010 121.223 0.364 0.000 2.326 151 L HA 0.323 4.667 4.340 0.007 0.000 0.278 151 L C 0.065 177.046 176.870 0.186 0.000 1.092 151 L CA 0.023 55.034 54.840 0.285 0.000 0.810 151 L CB 0.954 43.142 42.059 0.215 0.000 1.153 151 L HN 0.630 nan 8.230 nan 0.000 0.439 152 L N 2.859 124.164 121.223 0.137 0.000 2.269 152 L HA 0.247 4.591 4.340 0.007 0.000 0.200 152 L C 0.208 177.077 176.870 -0.001 0.000 1.069 152 L CA 0.093 54.954 54.840 0.035 0.000 0.804 152 L CB -0.068 42.028 42.059 0.061 0.000 0.987 152 L HN 0.627 nan 8.230 nan 0.000 0.468 153 N N 0.720 119.444 118.700 0.040 0.000 2.372 153 N HA 0.359 5.103 4.740 0.007 0.000 0.291 153 N C -0.755 174.776 175.510 0.034 0.000 1.024 153 N CA 0.061 53.125 53.050 0.023 0.000 0.873 153 N CB 2.107 40.609 38.487 0.025 0.000 1.206 153 N HN 0.040 nan 8.380 nan 0.000 0.486 154 S N 0.246 115.959 115.700 0.022 0.000 2.570 154 S HA 0.488 4.962 4.470 0.007 0.000 0.270 154 S C -2.412 172.170 174.600 -0.030 0.000 1.149 154 S CA -1.063 57.153 58.200 0.027 0.000 0.837 154 S CB 2.375 65.634 63.200 0.098 0.000 1.124 154 S HN 0.159 nan 8.310 nan 0.000 0.465 155 P HA -0.087 nan 4.420 nan 0.000 0.222 155 P C -0.061 177.027 177.300 -0.355 0.000 1.142 155 P CA 1.314 64.253 63.100 -0.268 0.000 0.788 155 P CB -0.394 31.069 31.700 -0.396 0.000 0.767 156 Y N 0.416 120.705 120.300 -0.018 0.000 2.897 156 Y HA 0.523 5.075 4.550 0.004 0.000 0.372 156 Y C 1.488 177.356 175.900 -0.053 0.000 1.034 156 Y CA 0.028 58.105 58.100 -0.039 0.000 1.627 156 Y CB -0.323 38.102 38.460 -0.059 0.000 1.474 156 Y HN -0.007 nan 8.280 nan 0.000 0.517 157 G N 1.125 109.949 108.800 0.040 0.000 2.705 157 G HA2 -0.210 3.754 3.960 0.007 0.000 0.686 157 G HA3 -0.210 3.754 3.960 0.007 0.000 0.686 157 G C -1.035 173.858 174.900 -0.013 0.000 1.285 157 G CA -1.155 43.950 45.100 0.010 0.000 0.800 157 G HN 0.280 nan 8.290 nan 0.000 0.611 158 N N -0.646 118.040 118.700 -0.023 0.000 2.417 158 N HA 0.752 5.497 4.740 0.007 0.000 0.300 158 N C 0.355 175.832 175.510 -0.055 0.000 1.102 158 N CA 0.111 53.141 53.050 -0.033 0.000 0.886 158 N CB 2.234 40.712 38.487 -0.016 0.000 1.203 158 N HN 1.505 nan 8.380 nan 0.000 0.496 159 V N -1.891 117.968 119.914 -0.091 0.000 3.159 159 V HA 0.595 4.719 4.120 0.007 0.000 0.308 159 V C -0.227 175.832 176.094 -0.060 0.000 1.190 159 V CA -0.980 61.248 62.300 -0.119 0.000 1.037 159 V CB 1.918 33.546 31.823 -0.324 0.000 1.060 159 V HN 0.477 nan 8.190 nan 0.000 0.437 160 E N 0.692 120.908 120.200 0.027 0.000 2.314 160 E HA 0.378 4.732 4.350 0.007 0.000 0.262 160 E C 0.031 176.774 176.600 0.238 0.000 1.093 160 E CA -0.349 56.115 56.400 0.106 0.000 0.908 160 E CB 0.850 30.608 29.700 0.097 0.000 1.091 160 E HN 0.812 nan 8.360 nan 0.000 0.425 161 E N 0.955 121.303 120.200 0.246 0.000 2.438 161 E HA -0.064 4.290 4.350 0.007 0.000 0.261 161 E C -0.740 176.080 176.600 0.366 0.000 1.103 161 E CA 0.277 56.909 56.400 0.386 0.000 0.959 161 E CB 0.407 30.301 29.700 0.323 0.000 0.958 161 E HN 0.432 nan 8.360 nan 0.000 0.447 162 W N 1.899 123.282 121.300 0.138 0.000 2.313 162 W HA 0.176 4.841 4.660 0.008 0.000 0.328 162 W C -0.312 176.001 176.519 -0.343 0.000 1.197 162 W CA -0.447 56.771 57.345 -0.212 0.000 1.235 162 W CB 1.106 30.332 29.460 -0.390 0.000 1.158 162 W HN 0.257 nan 8.180 nan 0.000 0.578 163 S N 6.827 121.838 115.700 -1.149 0.000 2.530 163 S HA 0.234 4.709 4.470 0.007 0.000 0.322 163 S C 0.590 174.313 174.600 -1.461 0.000 1.085 163 S CA -0.737 56.850 58.200 -1.023 0.000 1.096 163 S CB 0.814 63.696 63.200 -0.531 0.000 0.988 163 S HN 0.718 nan 8.310 nan 0.000 0.466 164 I N 3.799 123.606 120.570 -1.270 0.000 2.567 164 I HA -0.130 4.044 4.170 0.007 0.000 0.257 164 I C 1.788 177.629 176.117 -0.460 0.000 1.184 164 I CA 1.306 62.097 61.300 -0.848 0.000 1.451 164 I CB 0.150 37.943 38.000 -0.345 0.000 1.089 164 I HN 0.694 nan 8.210 nan 0.000 0.441 165 E N 0.689 120.652 120.200 -0.394 0.000 2.001 165 E HA -0.187 4.167 4.350 0.007 0.000 0.193 165 E C 2.099 178.552 176.600 -0.245 0.000 0.994 165 E CA 1.420 57.670 56.400 -0.250 0.000 0.815 165 E CB -0.270 29.312 29.700 -0.197 0.000 0.770 165 E HN 0.295 nan 8.360 nan 0.000 0.453 166 I N 1.058 121.454 120.570 -0.289 0.000 2.264 166 I HA -0.243 3.931 4.170 0.007 0.000 0.248 166 I C 2.261 178.248 176.117 -0.215 0.000 1.111 166 I CA 1.441 62.603 61.300 -0.229 0.000 1.382 166 I CB -1.704 36.158 38.000 -0.229 0.000 1.060 166 I HN 0.037 nan 8.210 nan 0.000 0.418 167 A N 1.336 123.957 122.820 -0.332 0.000 1.883 167 A HA -0.123 4.201 4.320 0.007 0.000 0.217 167 A C 2.528 180.068 177.584 -0.074 0.000 1.186 167 A CA 2.295 54.232 52.037 -0.167 0.000 0.624 167 A CB -0.847 18.053 19.000 -0.167 0.000 0.822 167 A HN 0.448 nan 8.150 nan 0.000 0.444 168 A N -0.647 122.105 122.820 -0.113 0.000 2.119 168 A HA 0.070 4.395 4.320 0.007 0.000 0.217 168 A C 1.337 178.886 177.584 -0.059 0.000 1.153 168 A CA 0.697 52.692 52.037 -0.071 0.000 0.692 168 A CB -0.227 18.727 19.000 -0.078 0.000 0.799 168 A HN 0.570 nan 8.150 nan 0.000 0.458 169 K N -0.305 120.054 120.400 -0.069 0.000 2.143 169 K HA 0.274 4.598 4.320 0.007 0.000 0.239 169 K C -0.308 176.274 176.600 -0.029 0.000 1.048 169 K CA -0.459 55.798 56.287 -0.051 0.000 0.867 169 K CB 0.175 32.639 32.500 -0.060 0.000 1.088 169 K HN 0.103 nan 8.250 nan 0.000 0.510 170 L N 2.380 123.590 121.223 -0.022 0.000 2.371 170 L HA 0.018 4.362 4.340 0.007 0.000 0.272 170 L C 1.692 178.562 176.870 0.001 0.000 1.124 170 L CA 0.455 55.289 54.840 -0.009 0.000 0.816 170 L CB 1.120 43.173 42.059 -0.010 0.000 1.129 170 L HN 0.645 nan 8.230 nan 0.000 0.448 171 Q N 1.407 121.216 119.800 0.016 0.000 2.248 171 Q HA -0.213 4.131 4.340 0.007 0.000 0.208 171 Q C 1.169 177.179 176.000 0.016 0.000 0.984 171 Q CA 1.553 57.373 55.803 0.028 0.000 0.875 171 Q CB 0.274 29.039 28.738 0.044 0.000 0.910 171 Q HN 0.565 nan 8.270 nan 0.000 0.433 172 E N -0.143 120.062 120.200 0.007 0.000 2.482 172 E HA -0.064 4.290 4.350 0.007 0.000 0.196 172 E C 1.166 177.765 176.600 -0.003 0.000 1.047 172 E CA 0.428 56.829 56.400 0.003 0.000 0.869 172 E CB 0.181 29.881 29.700 -0.000 0.000 0.836 172 E HN 0.314 nan 8.360 nan 0.000 0.520 173 Q N -1.462 118.334 119.800 -0.007 0.000 2.247 173 Q HA 0.213 4.557 4.340 0.007 0.000 0.211 173 Q C 0.661 176.652 176.000 -0.016 0.000 0.861 173 Q CA 0.367 56.162 55.803 -0.014 0.000 0.949 173 Q CB 1.131 29.856 28.738 -0.021 0.000 1.115 173 Q HN 0.331 nan 8.270 nan 0.000 0.507 174 G N 0.086 108.881 108.800 -0.009 0.000 2.176 174 G HA2 -0.229 3.735 3.960 0.007 0.000 0.232 174 G HA3 -0.229 3.735 3.960 0.007 0.000 0.232 174 G C 0.455 175.344 174.900 -0.017 0.000 0.986 174 G CA -0.272 44.822 45.100 -0.010 0.000 0.643 174 G HN 0.506 nan 8.290 nan 0.000 0.522 175 G N -0.461 108.328 108.800 -0.020 0.000 2.570 175 G HA2 0.445 4.409 3.960 0.007 0.000 0.276 175 G HA3 0.445 4.409 3.960 0.007 0.000 0.276 175 G C 0.354 175.259 174.900 0.009 0.000 1.346 175 G CA 0.603 45.687 45.100 -0.027 0.000 1.034 175 G HN 0.147 nan 8.290 nan 0.000 0.512 176 D N -0.757 119.658 120.400 0.025 0.000 2.433 176 D HA 0.090 4.734 4.640 0.007 0.000 0.211 176 D C 0.223 176.582 176.300 0.097 0.000 1.114 176 D CA -0.025 54.033 54.000 0.097 0.000 0.837 176 D CB 0.401 41.286 40.800 0.141 0.000 0.984 176 D HN 0.635 nan 8.370 nan 0.000 0.505 177 E N 0.685 120.910 120.200 0.041 0.000 2.210 177 E HA -0.157 4.197 4.350 0.007 0.000 0.201 177 E C -0.529 176.076 176.600 0.009 0.000 1.339 177 E CA -0.040 56.371 56.400 0.019 0.000 0.699 177 E CB -1.036 28.678 29.700 0.023 0.000 1.126 177 E HN 0.083 nan 8.360 nan 0.000 0.355 178 V N 1.319 121.235 119.914 0.003 0.000 2.470 178 V HA 0.111 4.235 4.120 0.007 0.000 0.276 178 V C -1.572 174.463 176.094 -0.099 0.000 1.040 178 V CA -1.216 61.058 62.300 -0.043 0.000 1.008 178 V CB 0.463 32.283 31.823 -0.004 0.000 0.990 178 V HN 0.166 nan 8.190 nan 0.000 0.477 179 P HA -0.060 nan 4.420 nan 0.000 0.261 179 P C 0.986 178.185 177.300 -0.169 0.000 1.165 179 P CA 0.606 63.603 63.100 -0.172 0.000 0.759 179 P CB 0.487 31.992 31.700 -0.324 0.000 0.772 180 S N 2.309 117.955 115.700 -0.090 0.000 2.428 180 S HA -0.168 4.306 4.470 0.007 0.000 0.230 180 S C 1.369 175.937 174.600 -0.054 0.000 1.014 180 S CA 0.914 59.076 58.200 -0.063 0.000 0.957 180 S CB -0.749 62.429 63.200 -0.035 0.000 0.784 180 S HN 0.356 nan 8.310 nan 0.000 0.499 181 E N 1.742 121.911 120.200 -0.052 0.000 2.253 181 E HA -0.174 4.180 4.350 0.007 0.000 0.202 181 E C 1.730 178.330 176.600 0.001 0.000 1.014 181 E CA 1.840 58.239 56.400 -0.001 0.000 0.823 181 E CB -0.591 29.148 29.700 0.065 0.000 0.736 181 E HN 1.000 nan 8.360 nan 0.000 0.478 182 I N -4.527 115.984 120.570 -0.098 0.000 4.338 182 I HA 0.153 4.327 4.170 0.007 0.000 0.329 182 I C 1.252 177.372 176.117 0.005 0.000 1.378 182 I CA -0.326 60.966 61.300 -0.013 0.000 1.170 182 I CB 0.410 38.316 38.000 -0.156 0.000 1.206 182 I HN -0.125 nan 8.210 nan 0.000 0.432 183 I N 2.704 123.252 120.570 -0.035 0.000 2.264 183 I HA -0.235 3.939 4.170 0.007 0.000 0.248 183 I C 1.287 177.432 176.117 0.047 0.000 1.111 183 I CA 1.827 63.127 61.300 0.001 0.000 1.382 183 I CB -0.844 37.145 38.000 -0.019 0.000 1.060 183 I HN 0.342 nan 8.210 nan 0.000 0.418 184 D N 0.125 120.553 120.400 0.047 0.000 2.349 184 D HA -0.045 4.599 4.640 0.007 0.000 0.224 184 D C 1.653 177.998 176.300 0.074 0.000 1.029 184 D CA 0.519 54.551 54.000 0.053 0.000 0.879 184 D CB 0.038 40.861 40.800 0.038 0.000 0.906 184 D HN 0.247 nan 8.370 nan 0.000 0.528 185 K N -0.168 120.305 120.400 0.121 0.000 2.358 185 K HA 0.248 4.572 4.320 0.007 0.000 0.197 185 K C 0.071 176.780 176.600 0.182 0.000 1.025 185 K CA -0.066 56.313 56.287 0.153 0.000 1.104 185 K CB 0.949 33.599 32.500 0.250 0.000 0.855 185 K HN 0.109 nan 8.250 nan 0.000 0.531 186 I N 2.411 123.081 120.570 0.166 0.000 2.352 186 I HA 0.112 4.286 4.170 0.007 0.000 0.290 186 I C -0.283 175.875 176.117 0.068 0.000 1.036 186 I CA -0.486 60.909 61.300 0.158 0.000 1.336 186 I CB 0.889 38.986 38.000 0.161 0.000 1.407 186 I HN -0.100 nan 8.210 nan 0.000 0.497 187 I N 7.678 128.224 120.570 -0.040 0.000 2.328 187 I HA 0.198 4.372 4.170 0.007 0.000 0.287 187 I C -0.634 175.492 176.117 0.016 0.000 1.012 187 I CA -0.622 60.635 61.300 -0.072 0.000 1.195 187 I CB 0.716 38.538 38.000 -0.297 0.000 1.350 187 I HN 0.445 nan 8.210 nan 0.000 0.464 188 Y N 8.521 128.796 120.300 -0.043 0.000 2.352 188 Y HA 0.674 5.228 4.550 0.007 0.000 0.339 188 Y C -0.381 175.467 175.900 -0.086 0.000 0.992 188 Y CA -1.271 56.804 58.100 -0.040 0.000 1.100 188 Y CB 1.498 40.045 38.460 0.145 0.000 1.192 188 Y HN 0.525 nan 8.280 nan 0.000 0.458 189 M N 8.290 127.421 119.600 -0.781 0.000 2.149 189 M HA 0.526 5.010 4.480 0.007 0.000 0.273 189 M C -3.411 172.254 176.300 -1.059 0.000 0.972 189 M CA -1.825 52.983 55.300 -0.820 0.000 0.984 189 M CB 2.280 34.532 32.600 -0.580 0.000 1.699 189 M HN 0.284 nan 8.290 nan 0.000 0.462 190 P HA 0.635 nan 4.420 nan 0.000 0.282 190 P C -1.527 175.355 177.300 -0.696 0.000 1.259 190 P CA -0.123 62.620 63.100 -0.595 0.000 0.826 190 P CB 0.914 32.458 31.700 -0.260 0.000 1.064 191 F N -0.097 119.865 119.950 0.020 0.000 2.565 191 F HA 0.266 4.799 4.527 0.009 0.000 0.313 191 F C 1.037 176.870 175.800 0.056 0.000 1.091 191 F CA -0.337 57.694 58.000 0.052 0.000 0.915 191 F CB 1.603 40.658 39.000 0.091 0.000 1.208 191 F HN 0.136 nan 8.300 nan 0.000 0.453 192 D N 0.107 120.647 120.400 0.233 0.000 2.162 192 D HA -0.033 4.611 4.640 0.007 0.000 0.205 192 D C 0.244 176.620 176.300 0.127 0.000 0.964 192 D CA 1.254 55.337 54.000 0.139 0.000 0.847 192 D CB 0.110 40.971 40.800 0.102 0.000 0.988 192 D HN 0.476 nan 8.370 nan 0.000 0.480 193 N N -0.162 118.626 118.700 0.146 0.000 2.328 193 N HA 0.074 4.818 4.740 0.007 0.000 0.299 193 N C 0.591 176.161 175.510 0.100 0.000 1.179 193 N CA -0.478 52.631 53.050 0.099 0.000 0.793 193 N CB 2.331 40.858 38.487 0.067 0.000 1.366 193 N HN -0.125 nan 8.380 nan 0.000 0.493 194 E N 1.057 121.292 120.200 0.059 0.000 2.038 194 E HA -0.212 4.142 4.350 0.007 0.000 0.195 194 E C 0.946 177.557 176.600 0.019 0.000 1.000 194 E CA 1.570 57.990 56.400 0.034 0.000 0.803 194 E CB 0.055 29.770 29.700 0.024 0.000 0.750 194 E HN 0.585 nan 8.360 nan 0.000 0.448 195 K N 0.294 120.711 120.400 0.029 0.000 2.113 195 K HA -0.190 4.134 4.320 0.007 0.000 0.208 195 K C 2.222 178.919 176.600 0.161 0.000 1.047 195 K CA 1.432 57.782 56.287 0.106 0.000 0.928 195 K CB -0.052 32.457 32.500 0.016 0.000 0.716 195 K HN 0.138 nan 8.250 nan 0.000 0.446 196 E N 0.915 121.165 120.200 0.084 0.000 2.047 196 E HA -0.165 4.190 4.350 0.007 0.000 0.191 196 E C 2.099 178.554 176.600 -0.242 0.000 0.987 196 E CA 0.808 57.249 56.400 0.070 0.000 0.799 196 E CB -0.242 29.590 29.700 0.220 0.000 0.752 196 E HN 0.202 nan 8.360 nan 0.000 0.449 197 L N 0.659 121.564 121.223 -0.529 0.000 2.081 197 L HA -0.201 4.143 4.340 0.007 0.000 0.212 197 L C 2.191 178.714 176.870 -0.578 0.000 1.080 197 L CA 1.388 55.490 54.840 -1.230 0.000 0.754 197 L CB -0.333 41.407 42.059 -0.531 0.000 0.893 197 L HN 0.053 nan 8.230 nan 0.000 0.433 198 L N -1.474 119.622 121.223 -0.212 0.000 2.049 198 L HA -0.081 4.263 4.340 0.007 0.000 0.203 198 L C 2.402 179.212 176.870 -0.100 0.000 1.074 198 L CA 1.845 56.649 54.840 -0.061 0.000 0.749 198 L CB -0.714 41.450 42.059 0.175 0.000 0.907 198 L HN 0.373 nan 8.230 nan 0.000 0.439 199 M N -0.388 119.160 119.600 -0.087 0.000 2.108 199 M HA -0.225 4.259 4.480 0.007 0.000 0.261 199 M C 2.171 178.428 176.300 -0.072 0.000 1.066 199 M CA 1.625 56.824 55.300 -0.169 0.000 1.107 199 M CB -0.505 32.045 32.600 -0.082 0.000 1.356 199 M HN 0.299 nan 8.290 nan 0.000 0.406 200 E N -1.928 118.272 120.200 -0.000 0.000 2.150 200 E HA -0.228 4.126 4.350 0.007 0.000 0.193 200 E C 1.885 178.607 176.600 0.203 0.000 0.985 200 E CA 1.017 57.511 56.400 0.156 0.000 0.814 200 E CB -0.242 29.668 29.700 0.349 0.000 0.752 200 E HN 0.643 nan 8.360 nan 0.000 0.466 201 Y N 0.680 120.904 120.300 -0.125 0.000 2.242 201 Y HA -0.133 4.420 4.550 0.006 0.000 0.291 201 Y C 1.807 177.668 175.900 -0.066 0.000 1.137 201 Y CA 1.164 59.057 58.100 -0.345 0.000 1.181 201 Y CB -0.082 37.873 38.460 -0.842 0.000 0.989 201 Y HN 0.014 nan 8.280 nan 0.000 0.527 202 L N 0.063 121.184 121.223 -0.169 0.000 2.017 202 L HA -0.278 4.066 4.340 0.007 0.000 0.208 202 L C 2.101 178.905 176.870 -0.110 0.000 1.073 202 L CA 1.568 56.273 54.840 -0.226 0.000 0.745 202 L CB -0.604 41.295 42.059 -0.268 0.000 0.894 202 L HN 0.302 nan 8.230 nan 0.000 0.432 203 N N -0.034 118.635 118.700 -0.051 0.000 2.069 203 N HA -0.264 4.480 4.740 0.007 0.000 0.191 203 N C 1.675 177.198 175.510 0.021 0.000 1.031 203 N CA 1.510 54.558 53.050 -0.004 0.000 0.852 203 N CB -0.588 37.919 38.487 0.033 0.000 1.018 203 N HN 0.258 nan 8.380 nan 0.000 0.423 204 F N 0.947 120.839 119.950 -0.096 0.000 2.126 204 F HA -0.188 4.342 4.527 0.006 0.000 0.299 204 F C 2.367 178.022 175.800 -0.243 0.000 1.096 204 F CA 1.328 59.242 58.000 -0.144 0.000 1.255 204 F CB -0.381 38.593 39.000 -0.043 0.000 0.997 204 F HN 0.183 nan 8.300 nan 0.000 0.479 205 W N 1.357 122.311 121.300 -0.577 0.000 2.342 205 W HA -0.220 4.446 4.660 0.011 0.000 0.297 205 W C 1.985 178.232 176.519 -0.453 0.000 1.213 205 W CA 1.738 58.708 57.345 -0.626 0.000 1.251 205 W CB -0.326 28.815 29.460 -0.532 0.000 1.136 205 W HN 0.177 nan 8.180 nan 0.000 0.526 206 Q N 0.204 119.930 119.800 -0.122 0.000 2.020 206 Q HA -0.240 4.104 4.340 0.007 0.000 0.202 206 Q C 2.131 177.988 176.000 -0.239 0.000 0.982 206 Q CA 1.691 57.413 55.803 -0.134 0.000 0.838 206 Q CB -1.111 27.586 28.738 -0.068 0.000 0.899 206 Q HN 0.489 nan 8.270 nan 0.000 0.423 207 Q N 0.313 119.953 119.800 -0.267 0.000 2.167 207 Q HA -0.087 4.257 4.340 0.007 0.000 0.202 207 Q C 0.112 175.886 176.000 -0.377 0.000 0.970 207 Q CA 1.012 56.655 55.803 -0.266 0.000 0.855 207 Q CB 0.282 28.892 28.738 -0.215 0.000 0.911 207 Q HN 0.098 nan 8.270 nan 0.000 0.438 208 K N 0.592 120.631 120.400 -0.602 0.000 3.163 208 K HA 0.189 4.514 4.320 0.007 0.000 0.186 208 K C -1.272 174.899 176.600 -0.714 0.000 1.111 208 K CA -0.157 55.746 56.287 -0.640 0.000 0.918 208 K CB 1.466 33.461 32.500 -0.842 0.000 1.059 208 K HN -0.065 nan 8.250 nan 0.000 0.558 209 T N 3.845 118.029 114.554 -0.617 0.000 2.784 209 T HA 0.075 4.429 4.350 0.007 0.000 0.291 209 T C -2.033 172.329 174.700 -0.564 0.000 0.942 209 T CA -1.010 60.643 62.100 -0.745 0.000 1.161 209 T CB 0.048 68.623 68.868 -0.488 0.000 0.885 209 T HN 0.183 nan 8.240 nan 0.000 0.534 210 P HA 0.203 nan 4.420 nan 0.000 0.275 210 P C 0.514 177.696 177.300 -0.196 0.000 1.228 210 P CA -0.437 62.447 63.100 -0.360 0.000 0.786 210 P CB 1.100 32.572 31.700 -0.380 0.000 0.927 211 V N 2.625 122.494 119.914 -0.076 0.000 2.339 211 V HA -0.022 4.103 4.120 0.007 0.000 0.234 211 V C 1.270 177.388 176.094 0.040 0.000 1.053 211 V CA 0.980 63.280 62.300 0.001 0.000 1.042 211 V CB -0.747 31.101 31.823 0.041 0.000 0.678 211 V HN 0.336 nan 8.190 nan 0.000 0.475 212 I N 1.781 122.390 120.570 0.066 0.000 2.471 212 I HA 0.296 4.470 4.170 0.007 0.000 0.286 212 I C -0.423 175.771 176.117 0.128 0.000 1.079 212 I CA 0.518 61.881 61.300 0.105 0.000 1.398 212 I CB 0.758 38.833 38.000 0.124 0.000 1.403 212 I HN 0.123 nan 8.210 nan 0.000 0.530 213 L N 7.036 128.361 121.223 0.171 0.000 2.341 213 L HA 0.762 5.106 4.340 0.007 0.000 0.278 213 L C -0.151 176.904 176.870 0.309 0.000 1.005 213 L CA 0.365 55.347 54.840 0.238 0.000 0.818 213 L CB 1.794 44.016 42.059 0.271 0.000 1.259 213 L HN 0.703 nan 8.230 nan 0.000 0.418 214 T N 2.186 116.964 114.554 0.372 0.000 2.618 214 T HA 0.917 5.271 4.350 0.007 0.000 0.293 214 T C -0.539 174.395 174.700 0.390 0.000 1.093 214 T CA -0.004 62.325 62.100 0.382 0.000 1.061 214 T CB 1.085 70.196 68.868 0.405 0.000 1.498 214 T HN 1.318 nan 8.240 nan 0.000 0.494 215 G N -0.108 108.919 108.800 0.378 0.000 2.298 215 G HA2 0.090 4.055 3.960 0.007 0.000 0.309 215 G HA3 0.090 4.055 3.960 0.007 0.000 0.309 215 G C -1.930 173.218 174.900 0.414 0.000 1.279 215 G CA -0.260 45.031 45.100 0.319 0.000 1.042 215 G HN 0.737 nan 8.290 nan 0.000 0.480 216 W N 2.290 123.641 121.300 0.085 0.000 2.411 216 W HA 0.472 5.136 4.660 0.007 0.000 0.317 216 W C 0.644 177.204 176.519 0.068 0.000 1.030 216 W CA -0.017 57.383 57.345 0.092 0.000 1.239 216 W CB 0.597 30.086 29.460 0.048 0.000 1.304 216 W HN 0.826 nan 8.180 nan 0.000 0.437 217 N N 2.719 121.353 118.700 -0.111 0.000 2.708 217 N HA -0.257 4.488 4.740 0.007 0.000 0.251 217 N C 1.001 176.568 175.510 0.095 0.000 1.123 217 N CA 1.262 54.292 53.050 -0.034 0.000 0.739 217 N CB -1.544 36.957 38.487 0.024 0.000 1.113 217 N HN 0.407 nan 8.380 nan 0.000 0.561 218 V N -2.345 117.625 119.914 0.093 0.000 2.594 218 V HA -0.131 3.993 4.120 0.007 0.000 0.253 218 V C 1.988 178.170 176.094 0.146 0.000 1.069 218 V CA 2.117 64.474 62.300 0.096 0.000 1.082 218 V CB -0.303 31.574 31.823 0.090 0.000 0.680 218 V HN 0.287 nan 8.190 nan 0.000 0.469 219 E N 1.224 121.487 120.200 0.104 0.000 2.216 219 E HA -0.101 4.253 4.350 0.007 0.000 0.192 219 E C 2.134 178.774 176.600 0.066 0.000 0.988 219 E CA 1.241 57.688 56.400 0.077 0.000 0.834 219 E CB 0.067 29.776 29.700 0.015 0.000 0.772 219 E HN 0.873 nan 8.360 nan 0.000 0.479 220 S N -1.110 114.639 115.700 0.082 0.000 2.502 220 S HA 0.084 4.558 4.470 0.007 0.000 0.215 220 S C 1.138 175.883 174.600 0.241 0.000 1.009 220 S CA -0.374 57.895 58.200 0.115 0.000 0.908 220 S CB 0.198 63.439 63.200 0.069 0.000 0.801 220 S HN 0.242 nan 8.310 nan 0.000 0.505 221 F N 1.861 121.871 119.950 0.100 0.000 2.373 221 F HA 0.623 5.154 4.527 0.007 0.000 0.253 221 F C 2.330 178.207 175.800 0.127 0.000 0.954 221 F CA 0.459 58.538 58.000 0.132 0.000 1.136 221 F CB -0.607 38.471 39.000 0.130 0.000 1.342 221 F HN 0.094 nan 8.300 nan 0.000 0.701 222 A N 1.328 124.252 122.820 0.173 0.000 1.892 222 A HA -0.182 4.143 4.320 0.007 0.000 0.218 222 A C 2.160 179.815 177.584 0.120 0.000 1.188 222 A CA 2.449 54.493 52.037 0.012 0.000 0.631 222 A CB -1.414 17.443 19.000 -0.238 0.000 0.822 222 A HN 0.537 nan 8.150 nan 0.000 0.447 223 I N -0.338 120.360 120.570 0.213 0.000 2.110 223 I HA -0.131 4.043 4.170 0.007 0.000 0.236 223 I C -0.495 175.711 176.117 0.149 0.000 1.068 223 I CA 1.310 62.767 61.300 0.261 0.000 1.333 223 I CB -1.198 36.956 38.000 0.256 0.000 1.054 223 I HN 0.170 nan 8.210 nan 0.000 0.402 224 P HA -0.238 nan 4.420 nan 0.000 0.216 224 P C 1.599 178.942 177.300 0.072 0.000 1.153 224 P CA 1.668 64.816 63.100 0.079 0.000 0.858 224 P CB -0.153 31.585 31.700 0.063 0.000 0.789 225 Y N -0.103 120.093 120.300 -0.173 0.000 2.070 225 Y HA -0.220 4.333 4.550 0.006 0.000 0.280 225 Y C 2.400 178.223 175.900 -0.128 0.000 1.148 225 Y CA 1.415 59.357 58.100 -0.264 0.000 1.125 225 Y CB -0.969 37.084 38.460 -0.678 0.000 0.975 225 Y HN -0.272 nan 8.280 nan 0.000 0.492 226 V N -0.214 119.730 119.914 0.051 0.000 2.343 226 V HA -0.318 3.806 4.120 0.007 0.000 0.247 226 V C 2.071 178.143 176.094 -0.038 0.000 1.051 226 V CA 2.327 64.639 62.300 0.020 0.000 1.036 226 V CB -0.825 31.070 31.823 0.121 0.000 0.654 226 V HN 0.668 nan 8.190 nan 0.000 0.451 227 Y N 1.517 121.763 120.300 -0.091 0.000 2.165 227 Y HA -0.235 4.316 4.550 0.002 0.000 0.286 227 Y C 2.416 178.245 175.900 -0.117 0.000 1.155 227 Y CA 2.495 60.535 58.100 -0.099 0.000 1.164 227 Y CB -0.245 38.175 38.460 -0.067 0.000 0.978 227 Y HN 0.376 nan 8.280 nan 0.000 0.513 228 N N -0.046 118.601 118.700 -0.088 0.000 2.354 228 N HA -0.095 4.649 4.740 0.007 0.000 0.179 228 N C 1.857 177.188 175.510 -0.298 0.000 1.021 228 N CA 0.788 53.726 53.050 -0.186 0.000 0.887 228 N CB -0.302 38.114 38.487 -0.118 0.000 0.974 228 N HN 0.242 nan 8.380 nan 0.000 0.437 229 R N 1.603 121.879 120.500 -0.373 0.000 2.070 229 R HA 0.079 4.423 4.340 0.007 0.000 0.232 229 R C 2.115 178.293 176.300 -0.203 0.000 1.138 229 R CA 1.136 57.038 56.100 -0.331 0.000 0.936 229 R CB -0.819 29.289 30.300 -0.321 0.000 0.839 229 R HN 0.179 nan 8.270 nan 0.000 0.429 230 I N 0.780 121.258 120.570 -0.154 0.000 2.163 230 I HA -0.336 3.838 4.170 0.007 0.000 0.243 230 I C 2.494 178.550 176.117 -0.102 0.000 1.085 230 I CA 1.664 62.952 61.300 -0.019 0.000 1.347 230 I CB -0.521 37.442 38.000 -0.062 0.000 1.044 230 I HN 0.284 nan 8.210 nan 0.000 0.408 231 K N 1.341 121.561 120.400 -0.300 0.000 2.032 231 K HA -0.276 4.049 4.320 0.007 0.000 0.218 231 K C 1.853 178.354 176.600 -0.167 0.000 1.054 231 K CA 2.349 58.468 56.287 -0.281 0.000 0.941 231 K CB -0.194 32.103 32.500 -0.338 0.000 0.720 231 K HN 0.343 nan 8.250 nan 0.000 0.449 232 N N 0.320 118.917 118.700 -0.172 0.000 2.396 232 N HA -0.084 4.660 4.740 0.007 0.000 0.180 232 N C 1.866 177.270 175.510 -0.177 0.000 1.028 232 N CA 1.097 54.056 53.050 -0.153 0.000 0.893 232 N CB 0.007 38.401 38.487 -0.154 0.000 0.967 232 N HN 0.347 nan 8.380 nan 0.000 0.440 233 I N -0.867 119.569 120.570 -0.224 0.000 2.499 233 I HA -0.044 4.131 4.170 0.007 0.000 0.243 233 I C 0.888 176.727 176.117 -0.464 0.000 1.085 233 I CA 0.732 61.792 61.300 -0.399 0.000 1.422 233 I CB -0.002 37.657 38.000 -0.568 0.000 1.165 233 I HN -0.119 nan 8.210 nan 0.000 0.440 234 F N 1.152 121.032 119.950 -0.117 0.000 2.727 234 F HA 0.401 4.932 4.527 0.007 0.000 0.302 234 F C 1.157 176.896 175.800 -0.102 0.000 1.097 234 F CA 0.180 58.119 58.000 -0.102 0.000 1.330 234 F CB -0.197 38.738 39.000 -0.109 0.000 1.084 234 F HN 0.104 nan 8.300 nan 0.000 0.578 235 G N 0.921 109.729 108.800 0.013 0.000 2.716 235 G HA2 -0.262 3.702 3.960 0.007 0.000 0.686 235 G HA3 -0.262 3.702 3.960 0.007 0.000 0.686 235 G C 0.471 175.343 174.900 -0.046 0.000 1.337 235 G CA -0.080 45.007 45.100 -0.022 0.000 0.829 235 G HN 0.322 nan 8.290 nan 0.000 0.599 236 E N 0.155 120.313 120.200 -0.070 0.000 2.160 236 E HA -0.139 4.215 4.350 0.007 0.000 0.195 236 E C 2.595 179.155 176.600 -0.068 0.000 0.991 236 E CA 1.798 58.140 56.400 -0.096 0.000 0.810 236 E CB -0.172 29.503 29.700 -0.041 0.000 0.742 236 E HN 0.578 nan 8.360 nan 0.000 0.466 237 S N 0.108 115.785 115.700 -0.038 0.000 2.359 237 S HA -0.200 4.275 4.470 0.007 0.000 0.223 237 S C 2.058 176.630 174.600 -0.047 0.000 1.039 237 S CA 1.899 60.081 58.200 -0.030 0.000 1.042 237 S CB -0.672 62.516 63.200 -0.019 0.000 0.915 237 S HN 0.358 nan 8.310 nan 0.000 0.439 238 T N 2.156 116.676 114.554 -0.057 0.000 2.904 238 T HA 0.123 4.478 4.350 0.007 0.000 0.267 238 T C 2.120 176.730 174.700 -0.150 0.000 1.059 238 T CA 0.943 62.979 62.100 -0.106 0.000 1.137 238 T CB -0.449 68.343 68.868 -0.128 0.000 0.879 238 T HN 0.475 nan 8.240 nan 0.000 0.467 239 A N 1.997 124.718 122.820 -0.165 0.000 1.972 239 A HA -0.093 4.232 4.320 0.007 0.000 0.219 239 A C 2.172 179.682 177.584 -0.124 0.000 1.169 239 A CA 1.214 53.076 52.037 -0.292 0.000 0.635 239 A CB -0.372 18.274 19.000 -0.589 0.000 0.810 239 A HN 0.410 nan 8.150 nan 0.000 0.446 240 K N -0.805 119.591 120.400 -0.006 0.000 2.504 240 K HA -0.019 4.305 4.320 0.007 0.000 0.195 240 K C 1.904 178.519 176.600 0.025 0.000 1.036 240 K CA 0.539 56.884 56.287 0.097 0.000 0.984 240 K CB -0.065 32.472 32.500 0.061 0.000 0.788 240 K HN 0.407 nan 8.250 nan 0.000 0.488 241 R N 0.994 121.468 120.500 -0.044 0.000 2.293 241 R HA -0.034 4.310 4.340 0.007 0.000 0.219 241 R C 1.685 177.949 176.300 -0.060 0.000 1.091 241 R CA 0.535 56.599 56.100 -0.060 0.000 1.004 241 R CB -0.104 30.129 30.300 -0.112 0.000 0.865 241 R HN 0.148 nan 8.270 nan 0.000 0.469 242 L N 0.204 121.353 121.223 -0.122 0.000 2.456 242 L HA -0.038 4.306 4.340 0.007 0.000 0.224 242 L C 0.679 177.641 176.870 0.153 0.000 1.148 242 L CA 0.464 55.144 54.840 -0.266 0.000 0.825 242 L CB 0.015 41.887 42.059 -0.312 0.000 0.937 242 L HN 0.111 nan 8.230 nan 0.000 0.450 243 S N -1.242 114.542 115.700 0.140 0.000 2.498 243 S HA 0.359 4.833 4.470 0.007 0.000 0.317 243 S C -1.726 172.899 174.600 0.042 0.000 1.090 243 S CA -1.533 56.758 58.200 0.152 0.000 1.089 243 S CB 1.540 64.828 63.200 0.146 0.000 0.997 243 S HN -0.140 nan 8.310 nan 0.000 0.470 244 P HA -0.118 nan 4.420 nan 0.000 0.224 244 P C 0.260 177.375 177.300 -0.308 0.000 1.142 244 P CA 1.351 64.317 63.100 -0.224 0.000 0.778 244 P CB -0.328 31.149 31.700 -0.373 0.000 0.764 245 H N -2.256 116.798 119.070 -0.027 0.000 2.827 245 H HA 0.338 4.898 4.556 0.006 0.000 0.269 245 H C 0.031 175.248 175.328 -0.185 0.000 1.031 245 H CA -0.568 55.374 56.048 -0.177 0.000 1.202 245 H CB 0.430 29.946 29.762 -0.410 0.000 1.511 245 H HN -0.221 nan 8.280 nan 0.000 0.517 246 R N 0.469 120.963 120.500 -0.010 0.000 3.305 246 R HA -0.131 4.213 4.340 0.007 0.000 0.268 246 R C -1.056 175.196 176.300 -0.079 0.000 1.087 246 R CA 0.143 56.226 56.100 -0.029 0.000 0.725 246 R CB -1.749 28.532 30.300 -0.031 0.000 1.233 246 R HN 0.267 nan 8.270 nan 0.000 0.416 247 K N -0.158 120.191 120.400 -0.084 0.000 2.535 247 K HA 0.640 4.964 4.320 0.007 0.000 0.251 247 K C -1.250 175.298 176.600 -0.087 0.000 0.942 247 K CA -0.061 56.090 56.287 -0.226 0.000 0.798 247 K CB 1.517 33.678 32.500 -0.565 0.000 1.267 247 K HN 0.168 nan 8.250 nan 0.000 0.434 248 T N 0.726 115.238 114.554 -0.069 0.000 2.921 248 T HA 0.604 4.958 4.350 0.007 0.000 0.297 248 T C -1.005 173.707 174.700 0.020 0.000 1.013 248 T CA -0.963 61.161 62.100 0.040 0.000 0.990 248 T CB 1.354 70.167 68.868 -0.092 0.000 1.023 248 T HN 0.613 nan 8.240 nan 0.000 0.447 249 R N 2.058 122.644 120.500 0.143 0.000 2.599 249 R HA 0.633 4.977 4.340 0.007 0.000 0.295 249 R C -1.308 174.998 176.300 0.011 0.000 0.963 249 R CA -0.867 55.295 56.100 0.104 0.000 0.883 249 R CB 1.777 32.232 30.300 0.258 0.000 1.171 249 R HN 0.560 nan 8.270 nan 0.000 0.450 250 V N 4.716 124.620 119.914 -0.016 0.000 2.287 250 V HA 0.098 4.222 4.120 0.007 0.000 0.246 250 V C 0.232 176.316 176.094 -0.016 0.000 1.165 250 V CA -0.282 61.998 62.300 -0.034 0.000 1.088 250 V CB -0.075 31.735 31.823 -0.021 0.000 1.242 250 V HN 0.609 nan 8.190 nan 0.000 0.497 251 K N 3.942 124.328 120.400 -0.023 0.000 2.383 251 K HA 0.274 4.598 4.320 0.007 0.000 0.286 251 K C -0.582 175.997 176.600 -0.034 0.000 1.051 251 K CA 0.078 56.348 56.287 -0.027 0.000 0.974 251 K CB 0.956 33.431 32.500 -0.042 0.000 0.968 251 K HN 0.396 nan 8.250 nan 0.000 0.475 252 V N 6.727 126.621 119.914 -0.033 0.000 2.385 252 V HA 0.254 4.379 4.120 0.007 0.000 0.269 252 V C -0.031 176.033 176.094 -0.050 0.000 1.043 252 V CA -0.727 61.553 62.300 -0.034 0.000 0.906 252 V CB 0.790 32.597 31.823 -0.026 0.000 0.995 252 V HN 0.593 nan 8.190 nan 0.000 0.467 253 I N 4.965 125.505 120.570 -0.051 0.000 2.304 253 I HA 0.445 4.619 4.170 0.007 0.000 0.291 253 I C 0.221 176.304 176.117 -0.057 0.000 1.018 253 I CA -0.060 61.200 61.300 -0.067 0.000 1.260 253 I CB 1.010 38.963 38.000 -0.078 0.000 1.390 253 I HN 0.703 nan 8.210 nan 0.000 0.475 254 E N 5.585 125.745 120.200 -0.067 0.000 2.187 254 E HA 0.401 4.755 4.350 0.007 0.000 0.268 254 E C -0.821 175.727 176.600 -0.087 0.000 0.896 254 E CA -0.579 55.785 56.400 -0.060 0.000 0.766 254 E CB 1.634 31.303 29.700 -0.051 0.000 1.142 254 E HN 0.491 nan 8.360 nan 0.000 0.408 255 N N 2.618 121.262 118.700 -0.093 0.000 2.725 255 N HA 0.288 5.032 4.740 0.007 0.000 0.312 255 N C 0.565 175.958 175.510 -0.195 0.000 1.295 255 N CA -0.495 52.446 53.050 -0.182 0.000 0.914 255 N CB 0.533 38.872 38.487 -0.247 0.000 1.177 255 N HN 0.552 nan 8.380 nan 0.000 0.601 256 M N 0.677 120.063 119.600 -0.356 0.000 2.686 256 M HA -0.003 4.481 4.480 0.007 0.000 0.246 256 M C 0.121 176.344 176.300 -0.128 0.000 1.096 256 M CA 0.911 56.051 55.300 -0.266 0.000 1.076 256 M CB -0.562 31.855 32.600 -0.304 0.000 1.504 256 M HN 0.472 nan 8.290 nan 0.000 0.524 257 Y N -0.781 119.509 120.300 -0.017 0.000 2.453 257 Y HA 0.493 5.046 4.550 0.005 0.000 0.273 257 Y C 1.872 177.760 175.900 -0.019 0.000 1.130 257 Y CA 0.092 58.182 58.100 -0.017 0.000 1.271 257 Y CB -0.858 37.593 38.460 -0.016 0.000 1.253 257 Y HN 0.102 nan 8.280 nan 0.000 0.512 258 G N -0.878 108.007 108.800 0.143 0.000 3.003 258 G HA2 0.481 4.446 3.960 0.007 0.000 0.243 258 G HA3 0.481 4.446 3.960 0.007 0.000 0.243 258 G C -1.318 173.600 174.900 0.029 0.000 1.176 258 G CA -0.267 44.874 45.100 0.068 0.000 0.812 258 G HN 0.283 nan 8.290 nan 0.000 0.584 259 S N -0.378 115.334 115.700 0.021 0.000 2.511 259 S HA 0.508 4.982 4.470 0.007 0.000 0.233 259 S C -0.364 174.241 174.600 0.009 0.000 1.104 259 S CA -0.652 57.551 58.200 0.005 0.000 1.129 259 S CB 1.076 64.277 63.200 0.001 0.000 1.159 259 S HN 1.061 nan 8.310 nan 0.000 0.451 260 R N 1.937 122.438 120.500 0.002 0.000 2.543 260 R HA 0.634 4.978 4.340 0.007 0.000 0.268 260 R C -0.488 175.814 176.300 0.002 0.000 1.067 260 R CA -0.640 55.465 56.100 0.009 0.000 1.142 260 R CB 0.609 30.912 30.300 0.005 0.000 1.110 260 R HN 0.711 nan 8.270 nan 0.000 0.549 261 E N 2.527 122.737 120.200 0.015 0.000 2.199 261 E HA 0.448 4.802 4.350 0.007 0.000 0.265 261 E C -0.625 175.980 176.600 0.007 0.000 0.882 261 E CA -1.040 55.365 56.400 0.008 0.000 0.759 261 E CB 1.424 31.133 29.700 0.016 0.000 1.148 261 E HN 0.666 nan 8.360 nan 0.000 0.412 262 I N -0.240 120.322 120.570 -0.015 0.000 2.910 262 I HA 0.626 4.801 4.170 0.007 0.000 0.310 262 I C -0.980 175.109 176.117 -0.047 0.000 1.043 262 I CA -1.526 59.762 61.300 -0.021 0.000 1.053 262 I CB 1.575 39.557 38.000 -0.031 0.000 1.242 262 I HN 0.549 nan 8.210 nan 0.000 0.452 263 I N 2.408 122.937 120.570 -0.068 0.000 2.378 263 I HA 0.349 4.523 4.170 0.007 0.000 0.291 263 I C -0.294 175.763 176.117 -0.100 0.000 0.992 263 I CA -0.158 61.054 61.300 -0.147 0.000 1.154 263 I CB 2.054 39.864 38.000 -0.317 0.000 1.315 263 I HN 0.662 nan 8.210 nan 0.000 0.448 264 T N 7.352 121.864 114.554 -0.071 0.000 2.806 264 T HA 0.486 4.841 4.350 0.007 0.000 0.290 264 T C -0.052 174.681 174.700 0.055 0.000 0.966 264 T CA -0.419 61.666 62.100 -0.024 0.000 1.060 264 T CB 0.556 69.401 68.868 -0.039 0.000 0.927 264 T HN 0.281 nan 8.240 nan 0.000 0.485 265 L N 3.999 125.257 121.223 0.059 0.000 2.371 265 L HA 0.410 4.754 4.340 0.007 0.000 0.262 265 L C -0.454 176.526 176.870 0.183 0.000 1.054 265 L CA -0.847 54.082 54.840 0.148 0.000 0.924 265 L CB -0.130 42.022 42.059 0.155 0.000 1.295 265 L HN 0.567 nan 8.230 nan 0.000 0.441 266 F N 2.283 122.262 119.950 0.047 0.000 2.593 266 F HA 0.217 4.747 4.527 0.005 0.000 0.393 266 F C 1.549 177.439 175.800 0.150 0.000 1.037 266 F CA 1.324 59.377 58.000 0.088 0.000 1.195 266 F CB 0.306 39.337 39.000 0.052 0.000 1.034 266 F HN 0.709 nan 8.300 nan 0.000 0.552 267 G N 3.139 112.116 108.800 0.296 0.000 2.179 267 G HA2 -0.241 3.723 3.960 0.007 0.000 0.220 267 G HA3 -0.241 3.723 3.960 0.007 0.000 0.220 267 G C -0.195 174.772 174.900 0.112 0.000 0.990 267 G CA -0.285 44.954 45.100 0.233 0.000 0.646 267 G HN 0.567 nan 8.290 nan 0.000 0.517 268 I N 1.639 122.275 120.570 0.111 0.000 2.499 268 I HA 0.422 4.597 4.170 0.007 0.000 0.288 268 I C -0.269 175.902 176.117 0.090 0.000 1.048 268 I CA -0.737 60.623 61.300 0.099 0.000 1.062 268 I CB 2.279 40.370 38.000 0.151 0.000 1.238 268 I HN 0.010 nan 8.210 nan 0.000 0.426 269 S N 5.282 121.034 115.700 0.087 0.000 2.399 269 S HA 0.338 4.812 4.470 0.007 0.000 0.301 269 S C -0.127 174.541 174.600 0.113 0.000 1.093 269 S CA -0.535 57.714 58.200 0.082 0.000 1.077 269 S CB 0.798 64.039 63.200 0.067 0.000 0.980 269 S HN 0.284 nan 8.310 nan 0.000 0.494 270 V N 6.068 126.057 119.914 0.125 0.000 2.385 270 V HA 0.314 4.439 4.120 0.007 0.000 0.269 270 V C -0.177 176.035 176.094 0.195 0.000 1.043 270 V CA -0.375 62.024 62.300 0.165 0.000 0.906 270 V CB 0.489 32.404 31.823 0.153 0.000 0.995 270 V HN 0.707 nan 8.190 nan 0.000 0.467 271 L N 4.371 125.732 121.223 0.231 0.000 2.337 271 L HA 0.455 4.800 4.340 0.007 0.000 0.269 271 L C 0.001 177.036 176.870 0.275 0.000 1.018 271 L CA -0.477 54.543 54.840 0.301 0.000 0.876 271 L CB 1.222 43.424 42.059 0.238 0.000 1.236 271 L HN 0.494 nan 8.230 nan 0.000 0.436 272 D N 0.769 121.290 120.400 0.201 0.000 2.424 272 D HA -0.093 4.551 4.640 0.007 0.000 0.244 272 D C 0.571 176.972 176.300 0.168 0.000 1.134 272 D CA 0.355 54.443 54.000 0.146 0.000 0.881 272 D CB 0.951 41.746 40.800 -0.008 0.000 1.191 272 D HN 0.349 nan 8.370 nan 0.000 0.445 273 Y N 2.917 123.301 120.300 0.140 0.000 2.439 273 Y HA -0.015 4.539 4.550 0.006 0.000 0.292 273 Y C 2.122 178.017 175.900 -0.007 0.000 1.130 273 Y CA 0.677 58.915 58.100 0.230 0.000 1.254 273 Y CB 0.085 38.810 38.460 0.442 0.000 1.000 273 Y HN 0.546 nan 8.280 nan 0.000 0.554 274 I N -0.606 119.747 120.570 -0.361 0.000 2.546 274 I HA -0.250 3.925 4.170 0.007 0.000 0.255 274 I C 1.334 177.231 176.117 -0.366 0.000 1.163 274 I CA 1.398 62.249 61.300 -0.748 0.000 1.457 274 I CB -0.044 37.281 38.000 -1.124 0.000 1.092 274 I HN 0.147 nan 8.210 nan 0.000 0.434 275 D N 0.227 120.463 120.400 -0.274 0.000 2.213 275 D HA -0.079 4.565 4.640 0.007 0.000 0.205 275 D C 2.142 178.414 176.300 -0.047 0.000 0.961 275 D CA 0.607 54.437 54.000 -0.284 0.000 0.853 275 D CB 0.057 40.541 40.800 -0.527 0.000 0.967 275 D HN 0.215 nan 8.370 nan 0.000 0.496 276 L N 0.403 121.648 121.223 0.036 0.000 2.012 276 L HA -0.188 4.156 4.340 0.007 0.000 0.210 276 L C 2.293 178.994 176.870 -0.281 0.000 1.073 276 L CA 1.527 56.307 54.840 -0.100 0.000 0.748 276 L CB -1.384 40.506 42.059 -0.282 0.000 0.891 276 L HN 0.117 nan 8.230 nan 0.000 0.431 277 Y N 0.393 120.580 120.300 -0.189 0.000 2.263 277 Y HA -0.189 4.365 4.550 0.007 0.000 0.292 277 Y C 2.496 178.348 175.900 -0.079 0.000 1.130 277 Y CA 1.574 59.702 58.100 0.045 0.000 1.179 277 Y CB 0.034 38.765 38.460 0.452 0.000 0.998 277 Y HN 0.104 nan 8.280 nan 0.000 0.532 278 K N 0.085 120.431 120.400 -0.090 0.000 2.211 278 K HA -0.184 4.141 4.320 0.007 0.000 0.203 278 K C 2.013 178.379 176.600 -0.390 0.000 1.050 278 K CA 1.493 57.637 56.287 -0.239 0.000 0.945 278 K CB -0.010 32.281 32.500 -0.348 0.000 0.732 278 K HN 0.282 nan 8.250 nan 0.000 0.451 279 K N -0.004 120.093 120.400 -0.504 0.000 2.078 279 K HA -0.011 4.313 4.320 0.007 0.000 0.203 279 K C 1.297 177.425 176.600 -0.786 0.000 1.043 279 K CA 0.874 56.744 56.287 -0.695 0.000 0.960 279 K CB 0.134 32.110 32.500 -0.873 0.000 0.761 279 K HN -0.080 nan 8.250 nan 0.000 0.448 280 F N 0.806 120.377 119.950 -0.633 0.000 2.746 280 F HA 0.152 4.684 4.527 0.008 0.000 0.297 280 F C 2.225 177.779 175.800 -0.409 0.000 1.113 280 F CA 0.376 57.993 58.000 -0.639 0.000 1.367 280 F CB 0.271 38.622 39.000 -1.082 0.000 1.111 280 F HN 0.131 nan 8.300 nan 0.000 0.590 281 S N -0.731 114.767 115.700 -0.337 0.000 2.470 281 S HA -0.119 4.355 4.470 0.007 0.000 0.225 281 S C 0.959 175.660 174.600 0.169 0.000 1.006 281 S CA 0.093 58.271 58.200 -0.036 0.000 0.934 281 S CB -0.977 61.835 63.200 -0.647 0.000 0.778 281 S HN 0.249 nan 8.310 nan 0.000 0.517 282 F N 2.275 122.164 119.950 -0.101 0.000 3.090 282 F HA -0.172 4.360 4.527 0.008 0.000 0.282 282 F C 0.441 176.232 175.800 -0.016 0.000 0.923 282 F CA 1.006 58.983 58.000 -0.038 0.000 0.977 282 F CB -2.387 36.616 39.000 0.006 0.000 0.954 282 F HN 0.523 nan 8.300 nan 0.000 0.695 283 T N -2.717 111.864 114.554 0.045 0.000 2.881 283 T HA 0.376 4.730 4.350 0.007 0.000 0.291 283 T C -0.462 174.252 174.700 0.023 0.000 0.990 283 T CA -0.878 61.251 62.100 0.048 0.000 0.976 283 T CB 1.768 70.673 68.868 0.062 0.000 0.970 283 T HN 0.293 nan 8.240 nan 0.000 0.438 284 N N 3.072 121.786 118.700 0.024 0.000 2.458 284 N HA 0.170 4.915 4.740 0.007 0.000 0.270 284 N C -0.474 175.007 175.510 -0.049 0.000 1.102 284 N CA -0.531 52.548 53.050 0.048 0.000 0.967 284 N CB 0.451 38.952 38.487 0.023 0.000 1.078 284 N HN 0.489 nan 8.380 nan 0.000 0.471 285 Q N 3.204 122.924 119.800 -0.133 0.000 2.312 285 Q HA 0.254 4.598 4.340 0.007 0.000 0.263 285 Q C -1.836 173.858 176.000 -0.511 0.000 0.995 285 Q CA -1.844 53.673 55.803 -0.476 0.000 0.853 285 Q CB 1.749 29.925 28.738 -0.937 0.000 1.300 285 Q HN 0.511 nan 8.270 nan 0.000 0.448 286 P HA -0.101 nan 4.420 nan 0.000 0.219 286 P C 0.101 176.984 177.300 -0.695 0.000 1.146 286 P CA 1.177 63.969 63.100 -0.513 0.000 0.808 286 P CB 0.487 31.919 31.700 -0.446 0.000 0.779 287 S N -2.292 112.829 115.700 -0.964 0.000 2.536 287 S HA 0.435 4.909 4.470 0.007 0.000 0.271 287 S C -1.393 172.821 174.600 -0.644 0.000 1.134 287 S CA -0.571 57.181 58.200 -0.745 0.000 0.897 287 S CB 0.485 63.184 63.200 -0.836 0.000 1.094 287 S HN -0.140 nan 8.310 nan 0.000 0.473 288 Y N 2.448 122.696 120.300 -0.087 0.000 2.669 288 Y HA 0.320 4.875 4.550 0.007 0.000 0.302 288 Y C 1.015 177.116 175.900 0.335 0.000 1.000 288 Y CA -0.499 57.690 58.100 0.148 0.000 1.222 288 Y CB 0.487 38.994 38.460 0.078 0.000 1.209 288 Y HN 0.670 nan 8.280 nan 0.000 0.571 289 S N -1.059 114.803 115.700 0.270 0.000 2.610 289 S HA 0.156 4.630 4.470 0.007 0.000 0.273 289 S C 1.015 175.633 174.600 0.030 0.000 1.274 289 S CA -0.673 57.670 58.200 0.239 0.000 1.023 289 S CB 1.463 64.726 63.200 0.105 0.000 0.962 289 S HN 0.388 nan 8.310 nan 0.000 0.523 290 L N 1.549 122.599 121.223 -0.288 0.000 2.079 290 L HA -0.051 4.294 4.340 0.007 0.000 0.210 290 L C 1.588 178.228 176.870 -0.383 0.000 1.081 290 L CA 2.027 56.431 54.840 -0.726 0.000 0.752 290 L CB -1.174 40.441 42.059 -0.739 0.000 0.896 290 L HN 0.850 nan 8.230 nan 0.000 0.433 291 D N -2.028 118.262 120.400 -0.183 0.000 2.092 291 D HA -0.287 4.357 4.640 0.007 0.000 0.193 291 D C 1.957 178.211 176.300 -0.076 0.000 0.994 291 D CA 1.907 55.838 54.000 -0.115 0.000 0.828 291 D CB -0.414 40.361 40.800 -0.042 0.000 0.963 291 D HN 0.410 nan 8.370 nan 0.000 0.450 292 Y N 0.890 121.123 120.300 -0.111 0.000 2.145 292 Y HA -0.191 4.364 4.550 0.008 0.000 0.286 292 Y C 1.998 177.853 175.900 -0.076 0.000 1.145 292 Y CA 1.199 59.253 58.100 -0.076 0.000 1.148 292 Y CB -0.004 38.404 38.460 -0.087 0.000 0.981 292 Y HN -0.069 nan 8.280 nan 0.000 0.507 293 I N -0.790 119.797 120.570 0.029 0.000 2.252 293 I HA -0.272 3.903 4.170 0.007 0.000 0.245 293 I C 2.410 178.466 176.117 -0.102 0.000 1.102 293 I CA 1.425 62.680 61.300 -0.075 0.000 1.385 293 I CB -1.579 36.249 38.000 -0.287 0.000 1.064 293 I HN 0.186 nan 8.210 nan 0.000 0.414 294 S N 0.597 116.174 115.700 -0.204 0.000 2.348 294 S HA -0.253 4.221 4.470 0.007 0.000 0.221 294 S C 1.914 176.441 174.600 -0.121 0.000 1.033 294 S CA 1.748 59.838 58.200 -0.184 0.000 1.010 294 S CB -0.351 62.716 63.200 -0.222 0.000 0.891 294 S HN 0.574 nan 8.310 nan 0.000 0.442 295 E N 0.290 120.409 120.200 -0.136 0.000 2.209 295 E HA -0.208 4.146 4.350 0.007 0.000 0.196 295 E C 1.711 178.241 176.600 -0.117 0.000 0.993 295 E CA 1.132 57.447 56.400 -0.142 0.000 0.819 295 E CB -0.284 29.301 29.700 -0.193 0.000 0.745 295 E HN 0.551 nan 8.360 nan 0.000 0.477 296 F N 0.931 120.746 119.950 -0.225 0.000 2.179 296 F HA 0.012 4.544 4.527 0.008 0.000 0.292 296 F C 2.144 177.902 175.800 -0.070 0.000 1.089 296 F CA 1.185 59.093 58.000 -0.154 0.000 1.295 296 F CB 0.188 39.125 39.000 -0.105 0.000 1.041 296 F HN -0.035 nan 8.300 nan 0.000 0.487 297 E N 0.252 120.521 120.200 0.115 0.000 2.122 297 E HA 0.013 4.367 4.350 0.007 0.000 0.190 297 E C 1.892 178.453 176.600 -0.064 0.000 0.977 297 E CA 1.102 57.538 56.400 0.060 0.000 0.820 297 E CB -0.081 29.693 29.700 0.123 0.000 0.770 297 E HN 0.440 nan 8.360 nan 0.000 0.462 298 L N 0.488 121.666 121.223 -0.074 0.000 2.858 298 L HA 0.219 4.563 4.340 0.007 0.000 0.251 298 L C 0.031 176.865 176.870 -0.060 0.000 1.149 298 L CA -0.223 54.578 54.840 -0.064 0.000 0.955 298 L CB -0.014 41.996 42.059 -0.081 0.000 1.289 298 L HN -0.057 nan 8.230 nan 0.000 0.542 299 N N 1.613 120.255 118.700 -0.098 0.000 2.702 299 N HA -0.163 4.581 4.740 0.007 0.000 0.255 299 N C 0.190 175.659 175.510 -0.069 0.000 0.983 299 N CA 0.860 53.853 53.050 -0.096 0.000 0.768 299 N CB -1.012 37.421 38.487 -0.091 0.000 0.918 299 N HN 0.347 nan 8.380 nan 0.000 0.540 300 V N -2.556 117.312 119.914 -0.077 0.000 3.170 300 V HA 0.761 4.885 4.120 0.007 0.000 0.309 300 V C 1.265 177.314 176.094 -0.076 0.000 1.071 300 V CA -0.263 61.996 62.300 -0.068 0.000 1.063 300 V CB 1.232 33.009 31.823 -0.077 0.000 1.123 300 V HN 0.132 nan 8.190 nan 0.000 0.464 301 G N 0.994 109.755 108.800 -0.065 0.000 2.441 301 G HA2 0.306 4.270 3.960 0.007 0.000 0.243 301 G HA3 0.306 4.270 3.960 0.007 0.000 0.243 301 G C -0.150 174.701 174.900 -0.081 0.000 1.281 301 G CA -0.756 44.307 45.100 -0.062 0.000 0.854 301 G HN 0.969 nan 8.290 nan 0.000 0.560 302 K N 1.845 122.204 120.400 -0.070 0.000 2.361 302 K HA 0.072 4.396 4.320 0.007 0.000 0.283 302 K C 0.069 176.626 176.600 -0.071 0.000 1.078 302 K CA -0.395 55.850 56.287 -0.069 0.000 1.041 302 K CB 0.575 33.048 32.500 -0.045 0.000 0.932 302 K HN 0.246 nan 8.250 nan 0.000 0.462 303 L N 3.449 124.598 121.223 -0.125 0.000 2.774 303 L HA -0.045 4.300 4.340 0.007 0.000 0.279 303 L C -0.112 176.743 176.870 -0.024 0.000 1.137 303 L CA 0.650 55.359 54.840 -0.218 0.000 1.021 303 L CB -0.478 41.318 42.059 -0.438 0.000 1.366 303 L HN 0.389 nan 8.230 nan 0.000 0.471 304 K N 4.823 125.297 120.400 0.124 0.000 2.240 304 K HA 0.391 4.715 4.320 0.007 0.000 0.271 304 K C -0.732 176.092 176.600 0.373 0.000 1.018 304 K CA -0.410 55.975 56.287 0.163 0.000 0.874 304 K CB 0.541 33.078 32.500 0.062 0.000 1.098 304 K HN 0.449 nan 8.250 nan 0.000 0.458 305 Y N -0.415 120.041 120.300 0.260 0.000 2.943 305 Y HA 0.703 5.257 4.550 0.007 0.000 0.335 305 Y C -0.528 175.415 175.900 0.071 0.000 1.266 305 Y CA -1.107 57.060 58.100 0.112 0.000 1.123 305 Y CB 0.891 39.370 38.460 0.030 0.000 1.406 305 Y HN 0.359 nan 8.280 nan 0.000 0.707 306 D N -0.587 120.003 120.400 0.317 0.000 2.936 306 D HA 0.452 5.097 4.640 0.007 0.000 0.238 306 D C -0.188 176.247 176.300 0.225 0.000 1.248 306 D CA 0.903 54.997 54.000 0.158 0.000 0.903 306 D CB 1.895 42.755 40.800 0.101 0.000 1.544 306 D HN 1.164 nan 8.370 nan 0.000 0.543 307 G N 3.594 112.479 108.800 0.143 0.000 2.627 307 G HA2 -0.139 3.825 3.960 0.007 0.000 0.214 307 G HA3 -0.139 3.825 3.960 0.007 0.000 0.214 307 G C -2.687 172.359 174.900 0.242 0.000 1.331 307 G CA -0.646 44.546 45.100 0.153 0.000 0.891 307 G HN 0.442 nan 8.290 nan 0.000 0.539 308 P HA 0.474 nan 4.420 nan 0.000 0.279 308 P C 1.245 178.744 177.300 0.330 0.000 1.276 308 P CA -0.617 62.636 63.100 0.256 0.000 0.801 308 P CB 1.096 32.876 31.700 0.133 0.000 1.127 309 I N 0.738 121.486 120.570 0.297 0.000 2.252 309 I HA -0.264 3.910 4.170 0.007 0.000 0.245 309 I C 2.222 178.357 176.117 0.029 0.000 1.102 309 I CA 2.033 63.397 61.300 0.106 0.000 1.385 309 I CB -0.215 37.871 38.000 0.143 0.000 1.064 309 I HN 0.395 nan 8.210 nan 0.000 0.414 310 S N 0.351 116.064 115.700 0.022 0.000 2.383 310 S HA -0.237 4.237 4.470 0.007 0.000 0.229 310 S C 1.943 176.476 174.600 -0.110 0.000 1.030 310 S CA 1.194 59.353 58.200 -0.067 0.000 1.002 310 S CB -0.531 62.622 63.200 -0.078 0.000 0.829 310 S HN 0.479 nan 8.310 nan 0.000 0.467 311 K N 0.244 120.611 120.400 -0.055 0.000 2.400 311 K HA 0.266 4.590 4.320 0.007 0.000 0.194 311 K C 1.801 178.347 176.600 -0.090 0.000 1.033 311 K CA 0.204 56.452 56.287 -0.064 0.000 1.021 311 K CB -0.219 32.273 32.500 -0.012 0.000 0.808 311 K HN 0.266 nan 8.250 nan 0.000 0.505 312 L N 1.969 123.131 121.223 -0.100 0.000 2.042 312 L HA -0.199 4.146 4.340 0.007 0.000 0.210 312 L C 2.372 179.111 176.870 -0.219 0.000 1.076 312 L CA 1.736 56.501 54.840 -0.125 0.000 0.749 312 L CB -0.391 41.561 42.059 -0.178 0.000 0.893 312 L HN 0.064 nan 8.230 nan 0.000 0.432 313 R N -0.400 119.780 120.500 -0.532 0.000 2.080 313 R HA -0.208 4.136 4.340 0.007 0.000 0.236 313 R C 2.081 178.209 176.300 -0.286 0.000 1.137 313 R CA 2.069 57.712 56.100 -0.762 0.000 0.943 313 R CB -0.288 29.338 30.300 -1.123 0.000 0.846 313 R HN 0.624 nan 8.270 nan 0.000 0.431 314 E N 0.325 120.404 120.200 -0.202 0.000 2.023 314 E HA -0.208 4.147 4.350 0.007 0.000 0.196 314 E C 2.076 178.643 176.600 -0.055 0.000 1.003 314 E CA 1.816 58.158 56.400 -0.096 0.000 0.809 314 E CB -0.299 29.366 29.700 -0.059 0.000 0.755 314 E HN 0.453 nan 8.360 nan 0.000 0.449 315 S N 0.613 116.283 115.700 -0.050 0.000 2.368 315 S HA -0.150 4.325 4.470 0.007 0.000 0.225 315 S C 1.162 175.759 174.600 -0.004 0.000 1.030 315 S CA 1.247 59.437 58.200 -0.017 0.000 0.999 315 S CB 0.002 63.199 63.200 -0.005 0.000 0.844 315 S HN 0.113 nan 8.310 nan 0.000 0.459 316 N N 0.080 118.775 118.700 -0.010 0.000 2.722 316 N HA 0.165 4.909 4.740 0.007 0.000 0.242 316 N C 0.043 175.585 175.510 0.053 0.000 1.398 316 N CA -0.380 52.678 53.050 0.013 0.000 0.755 316 N CB 0.002 38.481 38.487 -0.012 0.000 1.268 316 N HN 0.482 nan 8.380 nan 0.000 0.522 317 H N 0.372 119.440 119.070 -0.003 0.000 2.457 317 H HA -0.139 4.421 4.556 0.007 0.000 0.297 317 H C 1.115 176.551 175.328 0.180 0.000 1.092 317 H CA 1.674 57.763 56.048 0.068 0.000 1.309 317 H CB 0.732 30.532 29.762 0.064 0.000 1.382 317 H HN 0.447 nan 8.280 nan 0.000 0.535 318 Q N 0.691 120.493 119.800 0.004 0.000 2.049 318 Q HA -0.078 4.267 4.340 0.007 0.000 0.198 318 Q C 2.432 178.456 176.000 0.040 0.000 0.971 318 Q CA 1.033 56.845 55.803 0.016 0.000 0.833 318 Q CB -0.018 28.707 28.738 -0.021 0.000 0.896 318 Q HN 0.245 nan 8.270 nan 0.000 0.434 319 R N -0.645 119.813 120.500 -0.070 0.000 2.081 319 R HA -0.163 4.181 4.340 0.007 0.000 0.235 319 R C 2.134 178.298 176.300 -0.227 0.000 1.131 319 R CA 1.382 57.321 56.100 -0.268 0.000 0.960 319 R CB -0.983 29.005 30.300 -0.520 0.000 0.856 319 R HN 0.405 nan 8.270 nan 0.000 0.436 320 Y N 1.534 121.693 120.300 -0.234 0.000 2.069 320 Y HA -0.270 4.283 4.550 0.006 0.000 0.278 320 Y C 2.212 178.057 175.900 -0.090 0.000 1.175 320 Y CA 1.662 59.669 58.100 -0.155 0.000 1.134 320 Y CB -0.200 38.234 38.460 -0.045 0.000 0.965 320 Y HN -0.086 nan 8.280 nan 0.000 0.498 321 I N -1.242 119.279 120.570 -0.083 0.000 2.333 321 I HA -0.211 3.964 4.170 0.007 0.000 0.246 321 I C 2.409 178.362 176.117 -0.273 0.000 1.106 321 I CA 1.341 62.486 61.300 -0.259 0.000 1.411 321 I CB -1.564 36.130 38.000 -0.510 0.000 1.082 321 I HN 0.152 nan 8.210 nan 0.000 0.420 322 S N 0.461 116.120 115.700 -0.068 0.000 2.356 322 S HA -0.187 4.287 4.470 0.007 0.000 0.223 322 S C 1.982 176.661 174.600 0.130 0.000 1.032 322 S CA 1.165 59.415 58.200 0.083 0.000 1.005 322 S CB -0.459 62.913 63.200 0.287 0.000 0.867 322 S HN 0.316 nan 8.310 nan 0.000 0.449 323 Y N 2.266 122.511 120.300 -0.092 0.000 2.483 323 Y HA -0.004 4.550 4.550 0.006 0.000 0.291 323 Y C 2.298 178.111 175.900 -0.145 0.000 1.143 323 Y CA -0.032 58.011 58.100 -0.096 0.000 1.289 323 Y CB -0.678 37.730 38.460 -0.086 0.000 0.983 323 Y HN 0.371 nan 8.280 nan 0.000 0.556 324 N N -0.218 118.452 118.700 -0.049 0.000 2.336 324 N HA -0.077 4.667 4.740 0.007 0.000 0.177 324 N C 1.775 177.248 175.510 -0.062 0.000 1.018 324 N CA 0.553 53.546 53.050 -0.095 0.000 0.878 324 N CB 0.045 38.441 38.487 -0.152 0.000 0.997 324 N HN 0.268 nan 8.380 nan 0.000 0.433 325 I N 1.331 121.833 120.570 -0.112 0.000 2.090 325 I HA -0.271 3.904 4.170 0.007 0.000 0.236 325 I C 2.223 178.243 176.117 -0.162 0.000 1.064 325 I CA 1.065 62.268 61.300 -0.162 0.000 1.324 325 I CB -0.285 37.550 38.000 -0.276 0.000 1.044 325 I HN 0.087 nan 8.210 nan 0.000 0.399 326 I N 0.902 121.393 120.570 -0.132 0.000 2.194 326 I HA -0.356 3.819 4.170 0.007 0.000 0.246 326 I C 2.815 178.900 176.117 -0.053 0.000 1.093 326 I CA 1.433 62.679 61.300 -0.090 0.000 1.355 326 I CB -0.555 37.385 38.000 -0.099 0.000 1.046 326 I HN 0.251 nan 8.210 nan 0.000 0.413 327 A N 0.503 123.275 122.820 -0.081 0.000 1.896 327 A HA -0.240 4.085 4.320 0.007 0.000 0.220 327 A C 2.408 179.974 177.584 -0.030 0.000 1.206 327 A CA 2.588 54.574 52.037 -0.085 0.000 0.647 327 A CB -1.201 17.757 19.000 -0.071 0.000 0.828 327 A HN 0.279 nan 8.150 nan 0.000 0.455 328 V N -1.656 118.291 119.914 0.055 0.000 2.427 328 V HA -0.242 3.882 4.120 0.007 0.000 0.248 328 V C 2.330 178.546 176.094 0.204 0.000 1.051 328 V CA 1.959 64.361 62.300 0.170 0.000 1.048 328 V CB -1.121 30.906 31.823 0.341 0.000 0.666 328 V HN 0.670 nan 8.190 nan 0.000 0.456 329 Y N 2.571 122.874 120.300 0.005 0.000 2.097 329 Y HA -0.285 4.269 4.550 0.007 0.000 0.282 329 Y C 2.810 178.675 175.900 -0.057 0.000 1.152 329 Y CA 2.230 60.329 58.100 -0.001 0.000 1.136 329 Y CB -0.423 37.938 38.460 -0.165 0.000 0.975 329 Y HN 0.300 nan 8.280 nan 0.000 0.498 330 R N -0.972 119.446 120.500 -0.136 0.000 2.148 330 R HA -0.074 4.270 4.340 0.007 0.000 0.227 330 R C 1.942 178.058 176.300 -0.306 0.000 1.103 330 R CA 1.512 57.440 56.100 -0.287 0.000 0.983 330 R CB -1.300 28.861 30.300 -0.231 0.000 0.874 330 R HN 0.295 nan 8.270 nan 0.000 0.451 331 V N 2.254 122.020 119.914 -0.245 0.000 2.343 331 V HA -0.197 3.927 4.120 0.007 0.000 0.247 331 V C 2.354 178.237 176.094 -0.351 0.000 1.051 331 V CA 1.607 63.727 62.300 -0.300 0.000 1.036 331 V CB -0.441 31.296 31.823 -0.143 0.000 0.654 331 V HN 0.245 nan 8.190 nan 0.000 0.451 332 L N -0.647 120.421 121.223 -0.258 0.000 2.362 332 L HA -0.164 4.180 4.340 0.007 0.000 0.219 332 L C 2.505 179.191 176.870 -0.306 0.000 1.134 332 L CA 1.255 55.934 54.840 -0.268 0.000 0.807 332 L CB -0.511 41.374 42.059 -0.289 0.000 0.927 332 L HN 0.377 nan 8.230 nan 0.000 0.447 333 Q N -0.226 119.341 119.800 -0.388 0.000 2.163 333 Q HA -0.027 4.317 4.340 0.007 0.000 0.198 333 Q C 2.343 178.206 176.000 -0.230 0.000 0.954 333 Q CA 0.961 56.548 55.803 -0.360 0.000 0.851 333 Q CB 0.124 28.585 28.738 -0.460 0.000 0.928 333 Q HN 0.521 nan 8.270 nan 0.000 0.459 334 I N 0.764 121.190 120.570 -0.241 0.000 2.315 334 I HA -0.229 3.945 4.170 0.007 0.000 0.248 334 I C 1.805 177.852 176.117 -0.117 0.000 1.117 334 I CA 1.089 62.301 61.300 -0.146 0.000 1.404 334 I CB -0.090 37.833 38.000 -0.130 0.000 1.071 334 I HN 0.134 nan 8.210 nan 0.000 0.419 335 D N 0.865 121.146 120.400 -0.198 0.000 2.183 335 D HA -0.088 4.557 4.640 0.007 0.000 0.203 335 D C 2.214 178.475 176.300 -0.064 0.000 0.969 335 D CA 1.165 55.141 54.000 -0.039 0.000 0.842 335 D CB 0.130 40.943 40.800 0.021 0.000 0.957 335 D HN 0.267 nan 8.370 nan 0.000 0.484 336 A N 0.573 123.332 122.820 -0.101 0.000 1.908 336 A HA -0.211 4.113 4.320 0.007 0.000 0.218 336 A C 2.122 179.663 177.584 -0.071 0.000 1.181 336 A CA 1.711 53.703 52.037 -0.075 0.000 0.627 336 A CB -0.539 18.412 19.000 -0.082 0.000 0.818 336 A HN 0.220 nan 8.150 nan 0.000 0.445 337 K N -1.298 119.050 120.400 -0.086 0.000 2.005 337 K HA -0.104 4.220 4.320 0.007 0.000 0.206 337 K C 2.202 178.716 176.600 -0.143 0.000 1.044 337 K CA 0.933 57.166 56.287 -0.090 0.000 0.942 337 K CB -0.128 32.325 32.500 -0.078 0.000 0.727 337 K HN 0.215 nan 8.250 nan 0.000 0.439 338 R N 0.572 120.935 120.500 -0.228 0.000 2.100 338 R HA 0.051 4.396 4.340 0.007 0.000 0.220 338 R C 0.479 176.461 176.300 -0.529 0.000 1.091 338 R CA 0.580 56.369 56.100 -0.519 0.000 0.986 338 R CB -0.438 29.225 30.300 -1.062 0.000 0.888 338 R HN 0.404 nan 8.270 nan 0.000 0.444 339 Q N -0.349 119.276 119.800 -0.292 0.000 2.470 339 Q HA -0.175 4.169 4.340 0.007 0.000 0.294 339 Q C -0.019 175.974 176.000 -0.012 0.000 1.356 339 Q CA 0.278 56.014 55.803 -0.112 0.000 0.805 339 Q CB -1.303 27.378 28.738 -0.094 0.000 1.157 339 Q HN 0.167 nan 8.270 nan 0.000 0.431 340 F N -0.646 119.362 119.950 0.097 0.000 2.149 340 F HA -0.027 4.504 4.527 0.007 0.000 0.294 340 F C 2.250 178.009 175.800 -0.068 0.000 1.095 340 F CA 0.932 58.910 58.000 -0.038 0.000 1.276 340 F CB -0.411 38.590 39.000 0.003 0.000 1.023 340 F HN 0.201 nan 8.300 nan 0.000 0.480 341 I N 0.296 121.019 120.570 0.256 0.000 2.194 341 I HA -0.380 3.794 4.170 0.007 0.000 0.246 341 I C 2.275 178.435 176.117 0.072 0.000 1.093 341 I CA 1.775 63.176 61.300 0.168 0.000 1.355 341 I CB -0.623 37.522 38.000 0.242 0.000 1.046 341 I HN 0.167 nan 8.210 nan 0.000 0.413 342 N N 1.067 119.804 118.700 0.060 0.000 2.018 342 N HA -0.267 4.477 4.740 0.007 0.000 0.196 342 N C 1.869 177.378 175.510 -0.002 0.000 1.043 342 N CA 1.678 54.751 53.050 0.037 0.000 0.856 342 N CB -0.274 38.216 38.487 0.004 0.000 1.042 342 N HN 0.207 nan 8.380 nan 0.000 0.423 343 L N 0.454 121.632 121.223 -0.075 0.000 2.021 343 L HA -0.215 4.129 4.340 0.007 0.000 0.215 343 L C 2.148 178.877 176.870 -0.236 0.000 1.074 343 L CA 1.818 56.537 54.840 -0.202 0.000 0.760 343 L CB -0.867 40.964 42.059 -0.379 0.000 0.889 343 L HN 0.183 nan 8.230 nan 0.000 0.433 344 S N -0.316 115.249 115.700 -0.225 0.000 2.359 344 S HA -0.215 4.259 4.470 0.007 0.000 0.223 344 S C 1.893 176.385 174.600 -0.181 0.000 1.039 344 S CA 1.897 59.981 58.200 -0.193 0.000 1.042 344 S CB -0.625 62.503 63.200 -0.120 0.000 0.915 344 S HN 0.482 nan 8.310 nan 0.000 0.439 345 L N 1.441 122.569 121.223 -0.158 0.000 2.042 345 L HA -0.187 4.158 4.340 0.007 0.000 0.210 345 L C 2.280 179.028 176.870 -0.204 0.000 1.076 345 L CA 1.269 55.949 54.840 -0.267 0.000 0.749 345 L CB -0.842 41.068 42.059 -0.249 0.000 0.893 345 L HN 0.224 nan 8.230 nan 0.000 0.432 346 D N -0.318 120.079 120.400 -0.005 0.000 2.149 346 D HA -0.228 4.416 4.640 0.007 0.000 0.198 346 D C 2.198 178.555 176.300 0.095 0.000 0.990 346 D CA 1.547 55.643 54.000 0.160 0.000 0.839 346 D CB 0.031 40.892 40.800 0.103 0.000 0.948 346 D HN 0.302 nan 8.370 nan 0.000 0.460 347 M N -0.297 119.280 119.600 -0.038 0.000 2.248 347 M HA 0.051 4.535 4.480 0.007 0.000 0.265 347 M C 2.067 178.355 176.300 -0.020 0.000 1.079 347 M CA 1.329 56.594 55.300 -0.059 0.000 1.150 347 M CB 0.008 32.522 32.600 -0.144 0.000 1.366 347 M HN -0.015 nan 8.290 nan 0.000 0.433 348 G N -0.612 108.121 108.800 -0.112 0.000 2.459 348 G HA2 -0.259 3.706 3.960 0.007 0.000 0.217 348 G HA3 -0.259 3.706 3.960 0.007 0.000 0.217 348 G C 1.032 175.887 174.900 -0.075 0.000 1.183 348 G CA 0.964 45.975 45.100 -0.149 0.000 0.776 348 G HN 0.424 nan 8.290 nan 0.000 0.552 349 Y N -0.737 119.546 120.300 -0.028 0.000 2.293 349 Y HA -0.042 4.512 4.550 0.008 0.000 0.291 349 Y C 2.437 178.394 175.900 0.097 0.000 1.137 349 Y CA 0.597 58.693 58.100 -0.007 0.000 1.202 349 Y CB -0.802 37.556 38.460 -0.170 0.000 0.990 349 Y HN 0.334 nan 8.280 nan 0.000 0.537 350 Y N 0.160 120.549 120.300 0.148 0.000 2.165 350 Y HA -0.225 4.329 4.550 0.007 0.000 0.286 350 Y C 2.331 178.272 175.900 0.069 0.000 1.155 350 Y CA 1.531 59.689 58.100 0.096 0.000 1.164 350 Y CB -0.395 38.090 38.460 0.042 0.000 0.978 350 Y HN 0.021 nan 8.280 nan 0.000 0.513 351 A N -0.276 122.680 122.820 0.227 0.000 2.132 351 A HA 0.086 4.410 4.320 0.007 0.000 0.213 351 A C 1.026 178.676 177.584 0.109 0.000 1.154 351 A CA 0.622 52.743 52.037 0.139 0.000 0.753 351 A CB -0.334 18.724 19.000 0.096 0.000 0.826 351 A HN 0.457 nan 8.150 nan 0.000 0.469 352 K N -0.677 119.814 120.400 0.151 0.000 3.125 352 K HA -0.171 4.153 4.320 0.007 0.000 0.268 352 K C -0.113 176.526 176.600 0.064 0.000 1.078 352 K CA 0.899 57.287 56.287 0.169 0.000 0.775 352 K CB -2.217 30.347 32.500 0.107 0.000 1.253 352 K HN 0.828 nan 8.250 nan 0.000 0.486 353 I N -3.258 117.364 120.570 0.086 0.000 3.076 353 I HA 0.282 4.457 4.170 0.007 0.000 0.313 353 I C 0.555 176.695 176.117 0.037 0.000 1.053 353 I CA -1.315 60.001 61.300 0.026 0.000 1.048 353 I CB 0.858 38.873 38.000 0.026 0.000 1.264 353 I HN -0.034 nan 8.210 nan 0.000 0.498 354 Q N 1.222 121.032 119.800 0.017 0.000 2.349 354 Q HA 0.127 4.471 4.340 0.007 0.000 0.287 354 Q C 0.907 176.912 176.000 0.007 0.000 1.044 354 Q CA -0.255 55.576 55.803 0.046 0.000 0.918 354 Q CB 1.271 30.025 28.738 0.026 0.000 1.242 354 Q HN 0.556 nan 8.270 nan 0.000 0.405 355 I N 1.832 122.391 120.570 -0.019 0.000 2.394 355 I HA -0.252 3.922 4.170 0.007 0.000 0.251 355 I C 2.211 178.295 176.117 -0.055 0.000 1.136 355 I CA 1.313 62.551 61.300 -0.103 0.000 1.425 355 I CB -1.044 36.861 38.000 -0.160 0.000 1.079 355 I HN 0.730 nan 8.210 nan 0.000 0.425 356 Q N 0.409 120.219 119.800 0.017 0.000 2.482 356 Q HA -0.000 4.344 4.340 0.007 0.000 0.209 356 Q C 1.431 177.501 176.000 0.116 0.000 0.961 356 Q CA 0.699 56.561 55.803 0.099 0.000 0.945 356 Q CB -0.376 28.441 28.738 0.132 0.000 1.012 356 Q HN 0.280 nan 8.270 nan 0.000 0.515 357 S N 1.098 116.819 115.700 0.035 0.000 2.593 357 S HA -0.005 4.469 4.470 0.007 0.000 0.217 357 S C 1.880 176.482 174.600 0.002 0.000 0.966 357 S CA 0.604 58.825 58.200 0.036 0.000 0.914 357 S CB 0.002 63.214 63.200 0.020 0.000 0.776 357 S HN 0.489 nan 8.310 nan 0.000 0.523 358 V N -0.944 118.921 119.914 -0.081 0.000 2.490 358 V HA -0.128 3.996 4.120 0.007 0.000 0.250 358 V C 1.687 177.700 176.094 -0.136 0.000 1.061 358 V CA 1.581 63.800 62.300 -0.134 0.000 1.064 358 V CB -1.300 30.416 31.823 -0.178 0.000 0.670 358 V HN 0.392 nan 8.190 nan 0.000 0.461 359 F N 1.692 121.612 119.950 -0.050 0.000 2.333 359 F HA 0.079 4.612 4.527 0.009 0.000 0.300 359 F C 1.861 177.603 175.800 -0.097 0.000 1.083 359 F CA 1.423 59.345 58.000 -0.130 0.000 1.395 359 F CB -0.463 38.443 39.000 -0.156 0.000 1.056 359 F HN 0.275 nan 8.300 nan 0.000 0.529 360 S N 0.543 116.307 115.700 0.108 0.000 2.420 360 S HA 0.280 4.754 4.470 0.007 0.000 0.313 360 S C -1.770 172.871 174.600 0.067 0.000 1.079 360 S CA -1.673 56.572 58.200 0.073 0.000 1.104 360 S CB 1.003 64.243 63.200 0.067 0.000 0.969 360 S HN -0.197 nan 8.310 nan 0.000 0.471 361 P HA 0.019 nan 4.420 nan 0.000 0.217 361 P C 1.303 178.727 177.300 0.207 0.000 1.151 361 P CA 0.795 63.970 63.100 0.124 0.000 0.828 361 P CB 0.070 31.860 31.700 0.150 0.000 0.788 362 I N -0.748 119.936 120.570 0.190 0.000 2.163 362 I HA -0.259 3.916 4.170 0.007 0.000 0.243 362 I C 2.413 178.743 176.117 0.355 0.000 1.085 362 I CA 1.483 62.961 61.300 0.297 0.000 1.347 362 I CB -0.612 37.562 38.000 0.289 0.000 1.044 362 I HN -0.119 nan 8.210 nan 0.000 0.408 363 K N 0.681 121.210 120.400 0.215 0.000 2.032 363 K HA -0.151 4.173 4.320 0.007 0.000 0.209 363 K C 2.185 178.887 176.600 0.170 0.000 1.048 363 K CA 2.005 58.392 56.287 0.167 0.000 0.927 363 K CB -0.698 31.855 32.500 0.089 0.000 0.712 363 K HN 0.322 nan 8.250 nan 0.000 0.441 364 T N -0.236 114.382 114.554 0.106 0.000 2.622 364 T HA -0.185 4.169 4.350 0.007 0.000 0.266 364 T C 1.805 176.535 174.700 0.049 0.000 1.047 364 T CA 1.800 63.894 62.100 -0.009 0.000 1.159 364 T CB -0.431 68.328 68.868 -0.182 0.000 0.863 364 T HN 0.417 nan 8.240 nan 0.000 0.422 365 W N 1.137 122.571 121.300 0.223 0.000 2.402 365 W HA -0.022 4.642 4.660 0.007 0.000 0.286 365 W C 2.333 179.076 176.519 0.373 0.000 1.221 365 W CA 0.344 57.858 57.345 0.282 0.000 1.257 365 W CB -0.262 29.351 29.460 0.256 0.000 1.120 365 W HN 0.284 nan 8.180 nan 0.000 0.551 366 D N 0.094 120.881 120.400 0.644 0.000 2.123 366 D HA -0.201 4.443 4.640 0.007 0.000 0.196 366 D C 2.153 178.688 176.300 0.393 0.000 0.992 366 D CA 2.016 56.316 54.000 0.501 0.000 0.833 366 D CB -0.283 40.728 40.800 0.351 0.000 0.954 366 D HN 0.031 nan 8.370 nan 0.000 0.455 367 A N -0.540 122.467 122.820 0.311 0.000 2.021 367 A HA 0.070 4.394 4.320 0.007 0.000 0.216 367 A C 2.335 180.111 177.584 0.320 0.000 1.163 367 A CA 0.380 52.596 52.037 0.297 0.000 0.676 367 A CB -0.411 18.701 19.000 0.187 0.000 0.818 367 A HN 0.307 nan 8.150 nan 0.000 0.453 368 I N -0.437 120.310 120.570 0.295 0.000 2.233 368 I HA -0.207 3.967 4.170 0.007 0.000 0.243 368 I C 2.178 178.470 176.117 0.293 0.000 1.093 368 I CA 1.193 62.659 61.300 0.277 0.000 1.380 368 I CB -0.222 37.967 38.000 0.313 0.000 1.067 368 I HN 0.260 nan 8.210 nan 0.000 0.413 369 I N -0.040 120.740 120.570 0.350 0.000 2.315 369 I HA -0.296 3.878 4.170 0.007 0.000 0.248 369 I C 2.436 178.676 176.117 0.205 0.000 1.117 369 I CA 1.258 62.685 61.300 0.213 0.000 1.404 369 I CB -0.330 37.711 38.000 0.069 0.000 1.071 369 I HN 0.165 nan 8.210 nan 0.000 0.419 370 F N 2.199 122.240 119.950 0.152 0.000 2.046 370 F HA -0.257 4.274 4.527 0.008 0.000 0.297 370 F C 2.371 178.228 175.800 0.095 0.000 1.123 370 F CA 1.805 59.885 58.000 0.132 0.000 1.199 370 F CB -0.668 38.415 39.000 0.139 0.000 0.972 370 F HN 0.056 nan 8.300 nan 0.000 0.474 371 N N -0.052 118.600 118.700 -0.080 0.000 2.205 371 N HA -0.201 4.543 4.740 0.007 0.000 0.186 371 N C 2.162 177.571 175.510 -0.168 0.000 1.015 371 N CA 1.376 54.291 53.050 -0.225 0.000 0.862 371 N CB -0.493 37.980 38.487 -0.023 0.000 0.986 371 N HN 0.385 nan 8.380 nan 0.000 0.429 372 S N 0.437 116.101 115.700 -0.060 0.000 2.368 372 S HA -0.033 4.442 4.470 0.007 0.000 0.225 372 S C 1.846 176.405 174.600 -0.069 0.000 1.030 372 S CA 0.599 58.779 58.200 -0.034 0.000 0.999 372 S CB 0.036 63.252 63.200 0.028 0.000 0.844 372 S HN 0.055 nan 8.310 nan 0.000 0.459 373 L N 2.206 123.374 121.223 -0.091 0.000 2.068 373 L HA 0.151 4.495 4.340 0.007 0.000 0.204 373 L C 2.393 179.189 176.870 -0.125 0.000 1.076 373 L CA 1.637 56.430 54.840 -0.079 0.000 0.753 373 L CB -1.202 40.842 42.059 -0.026 0.000 0.910 373 L HN 0.309 nan 8.230 nan 0.000 0.439 374 K N 0.247 120.490 120.400 -0.262 0.000 2.077 374 K HA -0.320 4.004 4.320 0.007 0.000 0.213 374 K C 2.056 178.584 176.600 -0.121 0.000 1.051 374 K CA 2.300 58.444 56.287 -0.239 0.000 0.929 374 K CB -0.121 32.109 32.500 -0.450 0.000 0.715 374 K HN 0.374 nan 8.250 nan 0.000 0.451 375 E N 0.422 120.552 120.200 -0.117 0.000 2.130 375 E HA -0.222 4.133 4.350 0.007 0.000 0.196 375 E C 1.327 177.900 176.600 -0.045 0.000 0.998 375 E CA 1.561 57.922 56.400 -0.065 0.000 0.806 375 E CB 0.081 29.750 29.700 -0.052 0.000 0.738 375 E HN 0.444 nan 8.360 nan 0.000 0.459 376 Q N -0.030 119.744 119.800 -0.044 0.000 2.247 376 Q HA 0.086 4.431 4.340 0.007 0.000 0.205 376 Q C -0.521 175.465 176.000 -0.023 0.000 0.896 376 Q CA -0.126 55.662 55.803 -0.026 0.000 0.950 376 Q CB 0.360 29.088 28.738 -0.017 0.000 1.054 376 Q HN 0.244 nan 8.270 nan 0.000 0.482 377 N N 1.844 120.516 118.700 -0.046 0.000 2.714 377 N HA -0.173 4.571 4.740 0.007 0.000 0.253 377 N C -1.140 174.354 175.510 -0.026 0.000 1.024 377 N CA 1.196 54.200 53.050 -0.077 0.000 0.726 377 N CB -0.824 37.551 38.487 -0.187 0.000 0.908 377 N HN 0.330 nan 8.380 nan 0.000 0.542 378 K N -0.569 119.827 120.400 -0.007 0.000 2.350 378 K HA 0.718 5.042 4.320 0.007 0.000 0.241 378 K C -0.306 176.258 176.600 -0.060 0.000 0.994 378 K CA -0.836 55.455 56.287 0.007 0.000 0.839 378 K CB 2.220 34.731 32.500 0.019 0.000 1.244 378 K HN -0.113 nan 8.250 nan 0.000 0.443 379 V N 3.177 123.035 119.914 -0.093 0.000 2.495 379 V HA 0.361 4.485 4.120 0.007 0.000 0.298 379 V C 0.091 176.179 176.094 -0.011 0.000 1.031 379 V CA -1.020 61.162 62.300 -0.197 0.000 0.871 379 V CB 1.318 32.833 31.823 -0.513 0.000 0.988 379 V HN 0.680 nan 8.190 nan 0.000 0.432 380 I N 3.947 124.570 120.570 0.088 0.000 2.720 380 I HA 0.533 4.707 4.170 0.007 0.000 0.287 380 I C -2.122 174.040 176.117 0.075 0.000 1.090 380 I CA -1.614 59.776 61.300 0.152 0.000 1.384 380 I CB 1.150 39.311 38.000 0.268 0.000 1.420 380 I HN 0.391 nan 8.210 nan 0.000 0.575 381 P HA 0.141 nan 4.420 nan 0.000 0.282 381 P C -1.159 176.126 177.300 -0.026 0.000 1.287 381 P CA -0.383 62.737 63.100 0.034 0.000 0.792 381 P CB 0.659 32.394 31.700 0.059 0.000 1.163 382 Q N -0.707 119.095 119.800 0.004 0.000 2.317 382 Q HA 0.435 4.779 4.340 0.007 0.000 0.229 382 Q C 0.337 176.303 176.000 -0.057 0.000 0.984 382 Q CA -0.666 55.127 55.803 -0.016 0.000 0.911 382 Q CB 0.431 29.175 28.738 0.010 0.000 1.217 382 Q HN 0.587 nan 8.270 nan 0.000 0.501 383 G N 1.490 110.259 108.800 -0.052 0.000 2.467 383 G HA2 0.393 4.358 3.960 0.007 0.000 0.257 383 G HA3 0.393 4.358 3.960 0.007 0.000 0.257 383 G C -0.845 174.034 174.900 -0.034 0.000 1.227 383 G CA -0.250 44.826 45.100 -0.040 0.000 0.835 383 G HN 0.566 nan 8.290 nan 0.000 0.556 384 R N -0.014 120.461 120.500 -0.041 0.000 2.651 384 R HA 0.435 4.780 4.340 0.007 0.000 0.278 384 R C -0.672 175.426 176.300 -0.335 0.000 1.010 384 R CA -0.568 55.428 56.100 -0.174 0.000 0.896 384 R CB 2.177 32.364 30.300 -0.189 0.000 1.211 384 R HN 0.574 nan 8.270 nan 0.000 0.456 385 S N 1.431 116.892 115.700 -0.399 0.000 2.465 385 S HA 0.309 4.783 4.470 0.007 0.000 0.279 385 S C -1.098 173.142 174.600 -0.599 0.000 1.201 385 S CA -0.310 57.634 58.200 -0.427 0.000 1.053 385 S CB 0.104 63.161 63.200 -0.237 0.000 0.953 385 S HN 0.501 nan 8.310 nan 0.000 0.488 386 H N 3.657 122.508 119.070 -0.365 0.000 2.572 386 H HA 0.493 5.053 4.556 0.007 0.000 0.359 386 H C -2.176 172.968 175.328 -0.308 0.000 1.134 386 H CA -1.626 54.246 56.048 -0.294 0.000 1.187 386 H CB 1.169 30.708 29.762 -0.371 0.000 1.597 386 H HN 0.472 nan 8.280 nan 0.000 0.524 387 P HA 0.030 nan 4.420 nan 0.000 0.275 387 P C -0.529 176.744 177.300 -0.045 0.000 1.227 387 P CA -0.414 62.653 63.100 -0.055 0.000 0.781 387 P CB 1.009 32.706 31.700 -0.005 0.000 0.906 388 V N 3.671 123.548 119.914 -0.062 0.000 2.439 388 V HA 0.124 4.248 4.120 0.007 0.000 0.271 388 V C 0.679 176.799 176.094 0.044 0.000 1.040 388 V CA 0.238 62.519 62.300 -0.031 0.000 1.002 388 V CB -0.464 31.340 31.823 -0.031 0.000 1.000 388 V HN 0.561 nan 8.190 nan 0.000 0.477 389 Q N 5.790 125.655 119.800 0.109 0.000 2.325 389 Q HA 0.480 4.824 4.340 0.007 0.000 0.270 389 Q C -2.582 173.530 176.000 0.187 0.000 1.020 389 Q CA -1.738 54.142 55.803 0.129 0.000 0.785 389 Q CB 2.602 31.420 28.738 0.134 0.000 1.259 389 Q HN 0.591 nan 8.270 nan 0.000 0.452 390 P HA 0.165 nan 4.420 nan 0.000 0.279 390 P C -1.606 175.800 177.300 0.176 0.000 1.239 390 P CA -0.033 63.140 63.100 0.121 0.000 0.789 390 P CB 0.286 32.016 31.700 0.050 0.000 0.933 391 Y N 0.735 121.073 120.300 0.062 0.000 2.634 391 Y HA 0.818 5.372 4.550 0.007 0.000 0.340 391 Y C -2.600 173.349 175.900 0.082 0.000 1.058 391 Y CA -2.872 55.264 58.100 0.060 0.000 1.081 391 Y CB -0.415 38.073 38.460 0.046 0.000 1.295 391 Y HN 0.236 nan 8.280 nan 0.000 0.487 392 P HA 0.464 nan 4.420 nan 0.000 0.274 392 P C -0.411 176.953 177.300 0.107 0.000 1.231 392 P CA -0.023 63.136 63.100 0.099 0.000 0.790 392 P CB 1.724 33.517 31.700 0.155 0.000 0.951 393 G N -0.167 108.688 108.800 0.091 0.000 3.247 393 G HA2 0.605 4.569 3.960 0.007 0.000 0.163 393 G HA3 0.605 4.569 3.960 0.007 0.000 0.163 393 G C -0.596 174.432 174.900 0.214 0.000 1.206 393 G CA -0.187 45.010 45.100 0.160 0.000 0.918 393 G HN 0.736 nan 8.290 nan 0.000 0.625 394 A N -0.924 122.031 122.820 0.225 0.000 2.259 394 A HA 0.626 4.950 4.320 0.007 0.000 0.278 394 A C -1.062 176.670 177.584 0.246 0.000 1.107 394 A CA -0.339 51.849 52.037 0.251 0.000 0.828 394 A CB 0.439 19.552 19.000 0.189 0.000 1.111 394 A HN 0.931 nan 8.150 nan 0.000 0.498 395 F N 0.959 120.969 119.950 0.101 0.000 2.444 395 F HA 0.573 5.105 4.527 0.007 0.000 0.342 395 F C -0.710 175.123 175.800 0.056 0.000 1.121 395 F CA -0.698 57.350 58.000 0.081 0.000 0.997 395 F CB 1.471 40.520 39.000 0.081 0.000 1.130 395 F HN 0.292 nan 8.300 nan 0.000 0.454 396 V N 6.146 125.663 119.914 -0.662 0.000 2.435 396 V HA 0.337 4.461 4.120 0.007 0.000 0.290 396 V C -0.034 175.524 176.094 -0.894 0.000 1.030 396 V CA -1.198 60.758 62.300 -0.573 0.000 0.881 396 V CB 1.305 33.023 31.823 -0.175 0.000 0.983 396 V HN 0.779 nan 8.190 nan 0.000 0.445 397 K N 2.372 122.395 120.400 -0.629 0.000 2.295 397 K HA 0.186 4.510 4.320 0.007 0.000 0.270 397 K C -0.036 176.546 176.600 -0.030 0.000 1.011 397 K CA -0.314 55.783 56.287 -0.317 0.000 0.953 397 K CB 0.661 33.102 32.500 -0.097 0.000 0.956 397 K HN 0.770 nan 8.250 nan 0.000 0.477 398 E N 5.287 125.500 120.200 0.021 0.000 2.001 398 E HA 0.208 4.562 4.350 0.007 0.000 0.279 398 E C -2.340 174.315 176.600 0.091 0.000 1.045 398 E CA -2.293 54.154 56.400 0.079 0.000 0.833 398 E CB 0.705 30.446 29.700 0.069 0.000 1.077 398 E HN 0.263 nan 8.360 nan 0.000 0.397 399 P HA 0.266 nan 4.420 nan 0.000 0.290 399 P C -0.431 176.909 177.300 0.066 0.000 1.276 399 P CA -0.451 62.649 63.100 0.001 0.000 0.808 399 P CB 0.864 32.445 31.700 -0.199 0.000 0.966 400 I N 5.021 125.644 120.570 0.088 0.000 2.581 400 I HA 0.069 4.243 4.170 0.007 0.000 0.285 400 I C -1.810 174.431 176.117 0.208 0.000 1.129 400 I CA -1.712 59.668 61.300 0.133 0.000 1.397 400 I CB -0.298 37.774 38.000 0.120 0.000 1.399 400 I HN 0.142 nan 8.210 nan 0.000 0.537 401 P HA 0.047 nan 4.420 nan 0.000 0.260 401 P C -0.694 176.699 177.300 0.155 0.000 1.207 401 P CA 0.421 63.647 63.100 0.209 0.000 0.780 401 P CB 0.271 32.055 31.700 0.140 0.000 0.789 402 N N 1.703 120.528 118.700 0.208 0.000 3.322 402 N HA 0.196 4.941 4.740 0.007 0.000 0.233 402 N C -1.198 174.287 175.510 -0.043 0.000 1.399 402 N CA -0.998 52.025 53.050 -0.045 0.000 0.894 402 N CB 1.334 39.621 38.487 -0.333 0.000 1.440 402 N HN 0.157 nan 8.380 nan 0.000 0.503 403 R N 0.418 120.829 120.500 -0.149 0.000 2.582 403 R HA 0.495 4.839 4.340 0.007 0.000 0.271 403 R C -0.996 175.104 176.300 -0.333 0.000 1.078 403 R CA 0.068 56.153 56.100 -0.025 0.000 1.127 403 R CB 0.366 30.663 30.300 -0.006 0.000 1.038 403 R HN 0.486 nan 8.270 nan 0.000 0.500 404 Y N 0.089 120.524 120.300 0.226 0.000 2.362 404 Y HA 0.241 4.795 4.550 0.007 0.000 0.326 404 Y C 0.565 176.560 175.900 0.159 0.000 1.083 404 Y CA -0.952 57.262 58.100 0.190 0.000 1.073 404 Y CB 2.121 40.725 38.460 0.240 0.000 1.211 404 Y HN 0.714 nan 8.280 nan 0.000 0.433 405 K N 2.059 122.593 120.400 0.224 0.000 2.005 405 K HA 0.098 4.422 4.320 0.007 0.000 0.214 405 K C -0.557 176.055 176.600 0.020 0.000 1.030 405 K CA 0.795 57.130 56.287 0.080 0.000 0.955 405 K CB -0.014 32.523 32.500 0.062 0.000 0.767 405 K HN 0.584 nan 8.250 nan 0.000 0.446 406 Y N 1.021 121.386 120.300 0.107 0.000 2.350 406 Y HA 0.278 4.832 4.550 0.007 0.000 0.340 406 Y C -0.577 175.445 175.900 0.205 0.000 1.006 406 Y CA -0.687 57.480 58.100 0.110 0.000 1.166 406 Y CB 1.463 39.914 38.460 -0.014 0.000 1.168 406 Y HN -0.121 nan 8.280 nan 0.000 0.502 407 V N 4.991 125.132 119.914 0.378 0.000 2.925 407 V HA 0.520 4.644 4.120 0.007 0.000 0.311 407 V C -0.614 175.686 176.094 0.342 0.000 1.104 407 V CA -1.131 61.382 62.300 0.356 0.000 0.954 407 V CB 2.198 34.254 31.823 0.388 0.000 1.022 407 V HN 0.780 nan 8.190 nan 0.000 0.427 408 M N 3.352 123.127 119.600 0.292 0.000 2.386 408 M HA 0.675 5.159 4.480 0.007 0.000 0.293 408 M C -0.623 175.742 176.300 0.108 0.000 1.120 408 M CA -0.147 55.277 55.300 0.208 0.000 0.909 408 M CB 2.286 35.039 32.600 0.255 0.000 1.661 408 M HN 0.894 nan 8.290 nan 0.000 0.452 409 S N 3.062 118.697 115.700 -0.108 0.000 2.532 409 S HA 0.844 5.318 4.470 0.007 0.000 0.301 409 S C -1.195 173.181 174.600 -0.373 0.000 1.083 409 S CA -0.570 57.434 58.200 -0.326 0.000 1.025 409 S CB 1.253 64.074 63.200 -0.631 0.000 1.056 409 S HN 0.533 nan 8.310 nan 0.000 0.494 410 F N 0.854 120.694 119.950 -0.183 0.000 2.593 410 F HA 0.704 5.235 4.527 0.007 0.000 0.320 410 F C 0.188 175.960 175.800 -0.047 0.000 1.060 410 F CA -0.570 57.394 58.000 -0.060 0.000 0.940 410 F CB 2.186 41.187 39.000 0.002 0.000 1.268 410 F HN 0.692 nan 8.300 nan 0.000 0.475 411 D N 1.312 121.830 120.400 0.197 0.000 2.837 411 D HA 0.276 4.921 4.640 0.007 0.000 0.220 411 D C -1.810 174.575 176.300 0.142 0.000 1.236 411 D CA -0.358 53.720 54.000 0.130 0.000 0.838 411 D CB 2.543 43.385 40.800 0.070 0.000 1.647 411 D HN 0.192 nan 8.370 nan 0.000 0.486 412 L N 2.341 123.630 121.223 0.109 0.000 2.313 412 L HA 0.264 4.608 4.340 0.007 0.000 0.282 412 L C 0.660 177.566 176.870 0.060 0.000 1.092 412 L CA 0.031 54.914 54.840 0.072 0.000 0.831 412 L CB 0.584 42.659 42.059 0.026 0.000 1.159 412 L HN 0.336 nan 8.230 nan 0.000 0.442 413 T N 2.399 117.003 114.554 0.083 0.000 2.754 413 T HA 0.072 4.426 4.350 0.007 0.000 0.282 413 T C 0.773 175.500 174.700 0.045 0.000 0.923 413 T CA -0.081 62.078 62.100 0.099 0.000 1.164 413 T CB -0.347 68.603 68.868 0.136 0.000 0.873 413 T HN 0.641 nan 8.240 nan 0.000 0.537 414 S N 1.859 117.599 115.700 0.067 0.000 3.436 414 S HA -0.138 4.336 4.470 0.007 0.000 0.393 414 S C 1.140 175.715 174.600 -0.041 0.000 0.914 414 S CA -0.033 58.184 58.200 0.029 0.000 1.317 414 S CB -1.205 62.039 63.200 0.073 0.000 0.920 414 S HN 0.706 nan 8.310 nan 0.000 0.564 415 L N 2.828 124.039 121.223 -0.020 0.000 1.955 415 L HA -0.101 4.243 4.340 0.007 0.000 0.213 415 L C 1.947 178.884 176.870 0.112 0.000 1.072 415 L CA 2.134 56.986 54.840 0.020 0.000 0.755 415 L CB -0.669 41.416 42.059 0.042 0.000 0.888 415 L HN 0.626 nan 8.230 nan 0.000 0.432 416 Y N 0.332 120.553 120.300 -0.133 0.000 2.070 416 Y HA -0.117 4.438 4.550 0.007 0.000 0.280 416 Y C -0.035 175.760 175.900 -0.176 0.000 1.148 416 Y CA 1.175 59.164 58.100 -0.185 0.000 1.125 416 Y CB -2.715 35.582 38.460 -0.271 0.000 0.975 416 Y HN 0.286 nan 8.280 nan 0.000 0.492 417 P HA -0.117 nan 4.420 nan 0.000 0.218 417 P C 1.778 178.971 177.300 -0.179 0.000 1.148 417 P CA 2.137 65.195 63.100 -0.069 0.000 0.822 417 P CB -0.072 31.613 31.700 -0.025 0.000 0.784 418 S N -0.327 115.245 115.700 -0.213 0.000 2.368 418 S HA -0.110 4.364 4.470 0.007 0.000 0.225 418 S C 1.956 176.388 174.600 -0.279 0.000 1.030 418 S CA 1.054 59.090 58.200 -0.274 0.000 0.999 418 S CB -1.031 62.017 63.200 -0.253 0.000 0.844 418 S HN 0.150 nan 8.310 nan 0.000 0.459 419 I N 1.240 121.644 120.570 -0.277 0.000 2.226 419 I HA -0.190 3.984 4.170 0.007 0.000 0.245 419 I C 2.007 177.837 176.117 -0.477 0.000 1.100 419 I CA 1.114 62.145 61.300 -0.450 0.000 1.374 419 I CB -0.507 37.227 38.000 -0.444 0.000 1.057 419 I HN 0.231 nan 8.210 nan 0.000 0.413 420 I N 0.551 120.909 120.570 -0.354 0.000 2.151 420 I HA -0.337 3.837 4.170 0.007 0.000 0.243 420 I C 2.761 178.693 176.117 -0.308 0.000 1.080 420 I CA 1.672 62.775 61.300 -0.329 0.000 1.339 420 I CB -0.419 37.439 38.000 -0.238 0.000 1.039 420 I HN 0.133 nan 8.210 nan 0.000 0.409 421 R N -0.012 120.330 120.500 -0.262 0.000 2.075 421 R HA -0.212 4.133 4.340 0.007 0.000 0.232 421 R C 2.331 178.494 176.300 -0.228 0.000 1.126 421 R CA 1.531 57.502 56.100 -0.215 0.000 0.963 421 R CB -0.292 29.889 30.300 -0.197 0.000 0.858 421 R HN 0.384 nan 8.270 nan 0.000 0.435 422 Q N 0.407 120.032 119.800 -0.291 0.000 2.046 422 Q HA -0.103 4.242 4.340 0.007 0.000 0.200 422 Q C 1.651 177.474 176.000 -0.296 0.000 0.975 422 Q CA 1.688 57.322 55.803 -0.281 0.000 0.836 422 Q CB 0.246 28.776 28.738 -0.346 0.000 0.896 422 Q HN 0.151 nan 8.270 nan 0.000 0.428 423 V N 0.317 119.970 119.914 -0.435 0.000 3.174 423 V HA 0.067 4.191 4.120 0.007 0.000 0.254 423 V C 0.392 176.269 176.094 -0.363 0.000 1.120 423 V CA 0.662 62.704 62.300 -0.430 0.000 1.114 423 V CB -0.592 30.842 31.823 -0.647 0.000 0.756 423 V HN 0.680 nan 8.190 nan 0.000 0.467 424 N N 0.201 118.688 118.700 -0.355 0.000 2.932 424 N HA -0.169 4.575 4.740 0.007 0.000 0.247 424 N C -0.689 174.598 175.510 -0.372 0.000 1.101 424 N CA 0.207 53.107 53.050 -0.250 0.000 0.672 424 N CB -1.588 36.849 38.487 -0.084 0.000 0.985 424 N HN 0.525 nan 8.380 nan 0.000 0.561 425 I N 0.550 120.807 120.570 -0.522 0.000 2.337 425 I HA 0.378 4.552 4.170 0.007 0.000 0.291 425 I C 0.753 176.756 176.117 -0.190 0.000 1.046 425 I CA 0.026 60.986 61.300 -0.566 0.000 1.324 425 I CB 1.386 39.017 38.000 -0.615 0.000 1.409 425 I HN 0.257 nan 8.210 nan 0.000 0.494 426 S N 6.708 122.404 115.700 -0.007 0.000 2.588 426 S HA 0.478 4.953 4.470 0.007 0.000 0.269 426 S C -2.074 172.576 174.600 0.083 0.000 1.157 426 S CA -1.050 57.151 58.200 0.002 0.000 0.824 426 S CB 1.831 65.020 63.200 -0.019 0.000 1.126 426 S HN 0.349 nan 8.310 nan 0.000 0.464 427 P HA -0.077 nan 4.420 nan 0.000 0.218 427 P C 0.708 178.076 177.300 0.113 0.000 1.149 427 P CA 1.138 64.305 63.100 0.111 0.000 0.817 427 P CB 0.075 31.874 31.700 0.165 0.000 0.785 428 E N -1.170 119.051 120.200 0.034 0.000 2.498 428 E HA 0.041 4.395 4.350 0.007 0.000 0.203 428 E C 1.110 177.809 176.600 0.164 0.000 1.013 428 E CA 0.430 56.837 56.400 0.011 0.000 0.927 428 E CB -0.674 28.924 29.700 -0.169 0.000 1.012 428 E HN -0.029 nan 8.360 nan 0.000 0.482 429 T N 0.733 115.400 114.554 0.188 0.000 3.069 429 T HA 0.314 4.668 4.350 0.007 0.000 0.252 429 T C 0.729 175.551 174.700 0.204 0.000 1.053 429 T CA -0.325 61.945 62.100 0.284 0.000 0.964 429 T CB -0.212 68.790 68.868 0.223 0.000 1.005 429 T HN 0.100 nan 8.240 nan 0.000 0.532 430 I N 1.513 122.105 120.570 0.038 0.000 2.648 430 I HA 0.203 4.377 4.170 0.007 0.000 0.284 430 I C 1.255 177.041 176.117 -0.551 0.000 1.153 430 I CA -0.257 60.834 61.300 -0.349 0.000 1.426 430 I CB 1.209 39.052 38.000 -0.261 0.000 1.381 430 I HN 0.111 nan 8.210 nan 0.000 0.571 431 A N 4.483 126.766 122.820 -0.895 0.000 2.127 431 A HA 0.679 5.003 4.320 0.007 0.000 0.204 431 A C 0.828 177.951 177.584 -0.769 0.000 1.243 431 A CA 0.581 51.878 52.037 -1.234 0.000 0.887 431 A CB 0.314 18.173 19.000 -1.901 0.000 0.933 431 A HN 0.936 nan 8.150 nan 0.000 0.479 432 G N -1.561 106.902 108.800 -0.563 0.000 2.350 432 G HA2 0.477 4.441 3.960 0.007 0.000 0.282 432 G HA3 0.477 4.441 3.960 0.007 0.000 0.282 432 G C -0.563 174.203 174.900 -0.224 0.000 1.314 432 G CA 0.163 45.067 45.100 -0.325 0.000 0.915 432 G HN 1.122 nan 8.290 nan 0.000 0.499 433 T N -1.889 112.604 114.554 -0.101 0.000 2.906 433 T HA 0.859 5.213 4.350 0.007 0.000 0.295 433 T C -0.685 174.067 174.700 0.087 0.000 1.075 433 T CA -0.347 61.718 62.100 -0.058 0.000 1.005 433 T CB 2.086 70.864 68.868 -0.149 0.000 1.136 433 T HN 1.883 nan 8.240 nan 0.000 0.498 434 F N -1.136 118.784 119.950 -0.049 0.000 2.620 434 F HA 0.763 5.294 4.527 0.007 0.000 0.320 434 F C -0.196 175.612 175.800 0.013 0.000 1.069 434 F CA -1.772 56.223 58.000 -0.008 0.000 0.953 434 F CB 1.448 40.454 39.000 0.011 0.000 1.322 434 F HN 0.688 nan 8.300 nan 0.000 0.479 435 K N 1.832 122.323 120.400 0.153 0.000 2.419 435 K HA 0.309 4.634 4.320 0.007 0.000 0.282 435 K C -0.925 175.742 176.600 0.110 0.000 1.056 435 K CA -0.157 56.176 56.287 0.077 0.000 1.035 435 K CB 0.446 33.015 32.500 0.115 0.000 0.921 435 K HN 0.696 nan 8.250 nan 0.000 0.472 436 V N 4.827 124.722 119.914 -0.032 0.000 2.432 436 V HA 0.447 4.571 4.120 0.007 0.000 0.275 436 V C -0.037 176.154 176.094 0.163 0.000 1.043 436 V CA -0.390 61.939 62.300 0.049 0.000 0.925 436 V CB 0.947 32.690 31.823 -0.133 0.000 0.985 436 V HN 0.944 nan 8.190 nan 0.000 0.466 437 A N 8.428 131.414 122.820 0.277 0.000 2.296 437 A HA 0.737 5.061 4.320 0.007 0.000 0.264 437 A C -2.397 175.258 177.584 0.119 0.000 1.097 437 A CA -1.362 50.709 52.037 0.056 0.000 0.811 437 A CB -0.178 18.666 19.000 -0.260 0.000 1.072 437 A HN 0.773 nan 8.150 nan 0.000 0.495 438 P HA -0.001 nan 4.420 nan 0.000 0.269 438 P C 1.105 178.491 177.300 0.143 0.000 1.209 438 P CA -0.449 62.701 63.100 0.084 0.000 0.776 438 P CB 0.410 32.136 31.700 0.044 0.000 0.876 439 L N 2.917 124.260 121.223 0.200 0.000 2.046 439 L HA -0.213 4.131 4.340 0.007 0.000 0.208 439 L C 1.992 178.992 176.870 0.217 0.000 1.077 439 L CA 2.243 57.239 54.840 0.260 0.000 0.747 439 L CB -1.103 41.043 42.059 0.144 0.000 0.896 439 L HN 0.563 nan 8.230 nan 0.000 0.432 440 H N 0.118 119.219 119.070 0.051 0.000 2.431 440 H HA -0.224 4.336 4.556 0.007 0.000 0.297 440 H C 1.873 177.211 175.328 0.016 0.000 1.115 440 H CA 2.279 58.336 56.048 0.015 0.000 1.277 440 H CB 0.163 29.921 29.762 -0.007 0.000 1.372 440 H HN 0.412 nan 8.280 nan 0.000 0.516 441 D N -0.540 119.925 120.400 0.109 0.000 2.178 441 D HA -0.150 4.494 4.640 0.007 0.000 0.202 441 D C 1.474 177.748 176.300 -0.044 0.000 0.974 441 D CA 1.094 55.076 54.000 -0.030 0.000 0.841 441 D CB -0.176 40.519 40.800 -0.175 0.000 0.953 441 D HN 0.546 nan 8.370 nan 0.000 0.478 442 Y N 0.773 121.167 120.300 0.157 0.000 2.395 442 Y HA 0.051 4.606 4.550 0.007 0.000 0.293 442 Y C 2.344 178.443 175.900 0.331 0.000 1.123 442 Y CA 0.111 58.355 58.100 0.240 0.000 1.227 442 Y CB -0.301 38.192 38.460 0.054 0.000 1.012 442 Y HN -0.061 nan 8.280 nan 0.000 0.552 443 I N 0.184 120.916 120.570 0.269 0.000 2.252 443 I HA -0.312 3.862 4.170 0.007 0.000 0.245 443 I C 1.249 177.378 176.117 0.020 0.000 1.102 443 I CA 1.715 63.125 61.300 0.184 0.000 1.385 443 I CB -0.369 37.580 38.000 -0.085 0.000 1.064 443 I HN 0.254 nan 8.210 nan 0.000 0.414 444 N N 0.603 119.254 118.700 -0.081 0.000 2.467 444 N HA 0.188 4.932 4.740 0.007 0.000 0.184 444 N C 1.045 176.481 175.510 -0.122 0.000 1.106 444 N CA 0.614 53.561 53.050 -0.172 0.000 0.892 444 N CB 0.314 38.711 38.487 -0.151 0.000 0.969 444 N HN 0.350 nan 8.380 nan 0.000 0.454 445 A N -0.508 122.360 122.820 0.081 0.000 3.153 445 A HA -0.222 4.102 4.320 0.007 0.000 0.265 445 A C 1.555 179.103 177.584 -0.060 0.000 1.212 445 A CA 1.049 53.094 52.037 0.013 0.000 1.018 445 A CB -2.349 16.515 19.000 -0.227 0.000 1.130 445 A HN 0.151 nan 8.150 nan 0.000 0.873 446 V N -0.383 119.518 119.914 -0.022 0.000 2.307 446 V HA 0.068 4.192 4.120 0.007 0.000 0.245 446 V C 2.016 178.100 176.094 -0.017 0.000 1.045 446 V CA 1.780 64.060 62.300 -0.034 0.000 1.024 446 V CB -1.145 30.663 31.823 -0.026 0.000 0.651 446 V HN 1.520 nan 8.190 nan 0.000 0.449 447 A N 0.962 123.765 122.820 -0.028 0.000 2.448 447 A HA 0.220 4.544 4.320 0.007 0.000 0.239 447 A C 0.601 178.247 177.584 0.103 0.000 1.080 447 A CA -0.140 51.855 52.037 -0.070 0.000 0.779 447 A CB -0.090 18.656 19.000 -0.425 0.000 1.026 447 A HN 0.700 nan 8.150 nan 0.000 0.499 448 E N 1.068 121.333 120.200 0.108 0.000 2.392 448 E HA 0.303 4.658 4.350 0.007 0.000 0.259 448 E C 0.150 176.943 176.600 0.322 0.000 1.108 448 E CA -0.681 55.824 56.400 0.174 0.000 0.916 448 E CB 0.506 30.271 29.700 0.109 0.000 0.989 448 E HN 0.575 nan 8.360 nan 0.000 0.432 449 R N 2.319 122.996 120.500 0.295 0.000 2.522 449 R HA 0.046 4.391 4.340 0.007 0.000 0.284 449 R C -1.733 174.592 176.300 0.042 0.000 1.032 449 R CA -0.978 55.290 56.100 0.280 0.000 1.049 449 R CB 0.340 30.761 30.300 0.201 0.000 0.956 449 R HN 0.521 nan 8.270 nan 0.000 0.422 450 P HA -0.093 nan 4.420 nan 0.000 0.211 450 P C -0.342 176.633 177.300 -0.542 0.000 1.179 450 P CA 0.880 63.606 63.100 -0.624 0.000 0.910 450 P CB 0.238 31.306 31.700 -1.054 0.000 0.785 451 S N -2.317 113.154 115.700 -0.381 0.000 2.540 451 S HA 0.299 4.773 4.470 0.007 0.000 0.275 451 S C 0.163 174.687 174.600 -0.127 0.000 1.123 451 S CA -0.594 57.481 58.200 -0.207 0.000 0.907 451 S CB 1.183 64.292 63.200 -0.151 0.000 1.081 451 S HN -0.165 nan 8.310 nan 0.000 0.476 452 D N 1.938 122.277 120.400 -0.102 0.000 2.224 452 D HA -0.051 4.593 4.640 0.007 0.000 0.205 452 D C 1.646 177.871 176.300 -0.124 0.000 0.965 452 D CA 1.935 55.882 54.000 -0.088 0.000 0.852 452 D CB 0.248 41.005 40.800 -0.073 0.000 0.947 452 D HN 0.434 nan 8.370 nan 0.000 0.494 453 V N -2.656 117.131 119.914 -0.211 0.000 3.307 453 V HA 0.287 4.412 4.120 0.007 0.000 0.244 453 V C 0.420 176.298 176.094 -0.360 0.000 1.196 453 V CA -0.163 61.931 62.300 -0.342 0.000 1.132 453 V CB -0.638 30.859 31.823 -0.543 0.000 0.875 453 V HN -0.148 nan 8.190 nan 0.000 0.468 454 Y N 1.089 121.364 120.300 -0.042 0.000 2.519 454 Y HA 0.713 5.267 4.550 0.007 0.000 0.324 454 Y C 0.805 176.681 175.900 -0.040 0.000 1.214 454 Y CA -0.779 57.297 58.100 -0.040 0.000 1.260 454 Y CB 1.244 39.650 38.460 -0.091 0.000 1.311 454 Y HN 0.063 nan 8.280 nan 0.000 0.505 455 S N 0.692 116.511 115.700 0.198 0.000 2.457 455 S HA 0.579 5.053 4.470 0.007 0.000 0.289 455 S C -1.075 173.615 174.600 0.150 0.000 1.163 455 S CA -0.448 57.818 58.200 0.110 0.000 1.078 455 S CB -0.482 62.766 63.200 0.080 0.000 0.987 455 S HN 0.643 nan 8.310 nan 0.000 0.482 456 C N 3.432 122.782 119.300 0.082 0.000 2.561 456 C HA 0.793 5.257 4.460 0.007 0.000 0.319 456 C C 0.392 175.494 174.990 0.187 0.000 1.198 456 C CA -0.787 58.311 59.018 0.133 0.000 1.665 456 C CB 1.281 28.960 27.740 -0.103 0.000 2.258 456 C HN 0.850 nan 8.230 nan 0.000 0.493 457 S N 1.977 117.844 115.700 0.278 0.000 2.537 457 S HA 0.567 5.041 4.470 0.007 0.000 0.301 457 S C -1.859 172.803 174.600 0.102 0.000 1.092 457 S CA -1.172 57.183 58.200 0.258 0.000 1.048 457 S CB 1.482 64.807 63.200 0.209 0.000 1.053 457 S HN 0.669 nan 8.310 nan 0.000 0.501 458 P HA 0.024 nan 4.420 nan 0.000 0.247 458 P C 0.274 177.442 177.300 -0.221 0.000 1.225 458 P CA 0.335 63.208 63.100 -0.379 0.000 0.768 458 P CB -0.401 31.028 31.700 -0.453 0.000 1.020 459 N N -0.084 118.540 118.700 -0.127 0.000 2.314 459 N HA 0.043 4.787 4.740 0.007 0.000 0.200 459 N C 1.043 176.393 175.510 -0.267 0.000 1.135 459 N CA 0.412 53.385 53.050 -0.129 0.000 0.835 459 N CB -0.921 37.531 38.487 -0.057 0.000 0.989 459 N HN 0.083 nan 8.380 nan 0.000 0.478 460 G N 0.594 109.085 108.800 -0.515 0.000 2.212 460 G HA2 -0.203 3.762 3.960 0.007 0.000 0.255 460 G HA3 -0.203 3.762 3.960 0.007 0.000 0.255 460 G C -0.401 174.148 174.900 -0.587 0.000 1.062 460 G CA 0.011 44.444 45.100 -1.112 0.000 0.815 460 G HN 0.258 nan 8.290 nan 0.000 0.497 461 M N -0.081 119.444 119.600 -0.125 0.000 2.436 461 M HA 0.639 5.123 4.480 0.007 0.000 0.331 461 M C 0.421 176.803 176.300 0.137 0.000 1.135 461 M CA -0.381 54.897 55.300 -0.036 0.000 0.987 461 M CB 1.708 34.309 32.600 0.002 0.000 1.687 461 M HN 0.210 nan 8.290 nan 0.000 0.445 462 M N 2.554 122.047 119.600 -0.177 0.000 2.456 462 M HA 0.555 5.039 4.480 0.007 0.000 0.324 462 M C -1.586 174.356 176.300 -0.598 0.000 1.124 462 M CA -0.581 54.615 55.300 -0.174 0.000 0.959 462 M CB 2.064 34.569 32.600 -0.158 0.000 1.692 462 M HN 0.511 nan 8.290 nan 0.000 0.444 463 Y N -0.312 119.854 120.300 -0.222 0.000 2.553 463 Y HA 0.482 5.036 4.550 0.007 0.000 0.347 463 Y C -0.650 175.142 175.900 -0.180 0.000 1.019 463 Y CA -0.858 57.087 58.100 -0.257 0.000 1.032 463 Y CB 1.632 40.018 38.460 -0.123 0.000 1.284 463 Y HN 0.439 nan 8.280 nan 0.000 0.466 464 Y N 1.104 121.484 120.300 0.133 0.000 2.385 464 Y HA 0.153 4.708 4.550 0.007 0.000 0.346 464 Y C 1.077 177.068 175.900 0.151 0.000 1.270 464 Y CA -0.054 58.150 58.100 0.173 0.000 1.472 464 Y CB 0.676 39.196 38.460 0.100 0.000 1.354 464 Y HN 0.552 nan 8.280 nan 0.000 0.611 465 K N -0.319 120.273 120.400 0.320 0.000 2.511 465 K HA -0.004 4.320 4.320 0.007 0.000 0.206 465 K C 1.011 177.676 176.600 0.108 0.000 1.333 465 K CA 0.594 56.979 56.287 0.163 0.000 0.957 465 K CB 0.407 32.981 32.500 0.123 0.000 1.172 465 K HN 0.691 nan 8.250 nan 0.000 0.547 466 D N 1.386 121.855 120.400 0.115 0.000 2.234 466 D HA -0.096 4.548 4.640 0.007 0.000 0.205 466 D C 0.453 176.768 176.300 0.024 0.000 0.962 466 D CA 0.531 54.560 54.000 0.049 0.000 0.855 466 D CB 0.069 40.886 40.800 0.029 0.000 0.951 466 D HN -0.024 nan 8.370 nan 0.000 0.500 467 R N 1.374 121.897 120.500 0.037 0.000 2.349 467 R HA 0.246 4.591 4.340 0.007 0.000 0.299 467 R C -0.582 175.739 176.300 0.035 0.000 1.027 467 R CA -0.519 55.586 56.100 0.008 0.000 0.958 467 R CB 0.949 31.232 30.300 -0.028 0.000 1.047 467 R HN 0.085 nan 8.270 nan 0.000 0.468 468 D N 2.302 122.708 120.400 0.010 0.000 2.280 468 D HA 0.155 4.799 4.640 0.007 0.000 0.243 468 D C 0.541 176.843 176.300 0.004 0.000 1.129 468 D CA -0.252 53.753 54.000 0.007 0.000 0.848 468 D CB 1.514 42.315 40.800 -0.000 0.000 1.107 468 D HN 0.604 nan 8.370 nan 0.000 0.471 469 G N 0.626 109.429 108.800 0.004 0.000 2.634 469 G HA2 0.254 4.218 3.960 0.007 0.000 0.255 469 G HA3 0.254 4.218 3.960 0.007 0.000 0.255 469 G C 1.167 176.049 174.900 -0.030 0.000 1.205 469 G CA -0.592 44.504 45.100 -0.008 0.000 0.884 469 G HN 0.299 nan 8.290 nan 0.000 0.549 470 V N 0.521 120.404 119.914 -0.052 0.000 2.346 470 V HA -0.111 4.013 4.120 0.007 0.000 0.244 470 V C 2.929 178.987 176.094 -0.061 0.000 1.037 470 V CA 1.154 63.419 62.300 -0.058 0.000 1.029 470 V CB -0.623 31.140 31.823 -0.099 0.000 0.663 470 V HN 0.456 nan 8.190 nan 0.000 0.454 471 V N 1.268 121.118 119.914 -0.107 0.000 2.261 471 V HA -0.133 3.992 4.120 0.007 0.000 0.246 471 V C 0.281 176.306 176.094 -0.114 0.000 1.047 471 V CA 2.591 64.808 62.300 -0.139 0.000 1.015 471 V CB -1.912 29.808 31.823 -0.171 0.000 0.642 471 V HN 0.508 nan 8.190 nan 0.000 0.446 472 P HA -0.137 nan 4.420 nan 0.000 0.216 472 P C 1.738 179.017 177.300 -0.035 0.000 1.150 472 P CA 1.660 64.705 63.100 -0.092 0.000 0.837 472 P CB -0.235 31.403 31.700 -0.103 0.000 0.786 473 T N 0.312 114.858 114.554 -0.013 0.000 2.684 473 T HA -0.122 4.232 4.350 0.007 0.000 0.267 473 T C 1.688 176.436 174.700 0.080 0.000 1.036 473 T CA 1.379 63.495 62.100 0.027 0.000 1.148 473 T CB -0.403 68.478 68.868 0.022 0.000 0.863 473 T HN 0.177 nan 8.240 nan 0.000 0.436 474 E N 0.371 120.631 120.200 0.101 0.000 2.230 474 E HA 0.168 4.523 4.350 0.007 0.000 0.192 474 E C 2.177 178.951 176.600 0.291 0.000 0.987 474 E CA 0.227 56.763 56.400 0.227 0.000 0.841 474 E CB -0.157 29.719 29.700 0.294 0.000 0.783 474 E HN 0.461 nan 8.360 nan 0.000 0.481 475 I N 1.209 121.857 120.570 0.131 0.000 2.439 475 I HA -0.192 3.982 4.170 0.007 0.000 0.251 475 I C 1.717 177.945 176.117 0.186 0.000 1.139 475 I CA 0.971 62.348 61.300 0.128 0.000 1.438 475 I CB 0.002 37.962 38.000 -0.067 0.000 1.085 475 I HN 0.069 nan 8.210 nan 0.000 0.427 476 T N 0.415 115.052 114.554 0.137 0.000 2.821 476 T HA -0.170 4.185 4.350 0.007 0.000 0.267 476 T C 1.844 176.679 174.700 0.226 0.000 1.046 476 T CA 1.060 63.258 62.100 0.164 0.000 1.139 476 T CB -0.116 68.808 68.868 0.094 0.000 0.871 476 T HN 0.320 nan 8.240 nan 0.000 0.454 477 K N 0.539 121.067 120.400 0.213 0.000 2.097 477 K HA 0.015 4.339 4.320 0.007 0.000 0.205 477 K C 2.195 178.905 176.600 0.183 0.000 1.050 477 K CA 0.847 57.263 56.287 0.216 0.000 0.938 477 K CB -0.152 32.514 32.500 0.277 0.000 0.718 477 K HN 0.181 nan 8.250 nan 0.000 0.442 478 V N 0.635 120.667 119.914 0.196 0.000 2.725 478 V HA -0.132 3.992 4.120 0.007 0.000 0.247 478 V C 1.742 177.904 176.094 0.113 0.000 1.058 478 V CA 0.799 63.146 62.300 0.078 0.000 1.080 478 V CB -0.392 31.486 31.823 0.092 0.000 0.713 478 V HN 0.196 nan 8.190 nan 0.000 0.465 479 F N 2.430 122.419 119.950 0.065 0.000 2.065 479 F HA -0.232 4.299 4.527 0.007 0.000 0.298 479 F C 2.275 178.076 175.800 0.001 0.000 1.112 479 F CA 2.055 60.072 58.000 0.029 0.000 1.212 479 F CB -0.485 38.524 39.000 0.015 0.000 0.975 479 F HN 0.186 nan 8.300 nan 0.000 0.476 480 N N 0.493 119.126 118.700 -0.112 0.000 2.061 480 N HA -0.209 4.535 4.740 0.007 0.000 0.193 480 N C 1.822 177.181 175.510 -0.251 0.000 1.030 480 N CA 1.560 54.474 53.050 -0.228 0.000 0.856 480 N CB -0.676 37.798 38.487 -0.022 0.000 1.023 480 N HN 0.417 nan 8.380 nan 0.000 0.424 481 Q N 0.774 120.499 119.800 -0.124 0.000 2.077 481 Q HA -0.154 4.190 4.340 0.007 0.000 0.206 481 Q C 2.142 178.109 176.000 -0.056 0.000 0.989 481 Q CA 1.129 56.900 55.803 -0.054 0.000 0.853 481 Q CB -0.409 28.326 28.738 -0.004 0.000 0.907 481 Q HN 0.449 nan 8.270 nan 0.000 0.418 482 R N 1.051 121.456 120.500 -0.159 0.000 2.061 482 R HA -0.136 4.208 4.340 0.007 0.000 0.230 482 R C 2.246 178.358 176.300 -0.313 0.000 1.140 482 R CA 1.738 57.730 56.100 -0.181 0.000 0.940 482 R CB -0.293 29.899 30.300 -0.181 0.000 0.839 482 R HN 0.182 nan 8.270 nan 0.000 0.429 483 K N 0.516 120.555 120.400 -0.603 0.000 2.163 483 K HA -0.257 4.067 4.320 0.007 0.000 0.210 483 K C 1.870 178.225 176.600 -0.408 0.000 1.048 483 K CA 2.317 58.258 56.287 -0.577 0.000 0.928 483 K CB -0.151 31.871 32.500 -0.796 0.000 0.716 483 K HN 0.343 nan 8.250 nan 0.000 0.459 484 E N -0.937 119.015 120.200 -0.414 0.000 2.086 484 E HA -0.124 4.230 4.350 0.007 0.000 0.190 484 E C 2.030 178.158 176.600 -0.788 0.000 0.975 484 E CA 0.433 56.499 56.400 -0.556 0.000 0.813 484 E CB 0.088 29.518 29.700 -0.451 0.000 0.768 484 E HN 0.456 nan 8.360 nan 0.000 0.457 485 H N 0.339 119.195 119.070 -0.356 0.000 2.457 485 H HA -0.080 4.481 4.556 0.007 0.000 0.294 485 H C 2.022 177.228 175.328 -0.203 0.000 1.064 485 H CA 1.368 57.311 56.048 -0.176 0.000 1.330 485 H CB 0.152 29.882 29.762 -0.053 0.000 1.395 485 H HN 0.086 nan 8.280 nan 0.000 0.541 486 K N 0.775 121.091 120.400 -0.139 0.000 2.148 486 K HA -0.060 4.264 4.320 0.007 0.000 0.204 486 K C 2.370 178.859 176.600 -0.184 0.000 1.050 486 K CA 1.161 57.364 56.287 -0.141 0.000 0.942 486 K CB -0.184 32.225 32.500 -0.150 0.000 0.724 486 K HN 0.191 nan 8.250 nan 0.000 0.446 487 G N -0.307 108.299 108.800 -0.322 0.000 2.408 487 G HA2 -0.207 3.757 3.960 0.007 0.000 0.217 487 G HA3 -0.207 3.757 3.960 0.007 0.000 0.217 487 G C 0.883 175.631 174.900 -0.252 0.000 1.150 487 G CA 0.709 45.616 45.100 -0.322 0.000 0.776 487 G HN 0.332 nan 8.290 nan 0.000 0.542 488 Y N -0.413 119.804 120.300 -0.139 0.000 2.457 488 Y HA 0.273 4.827 4.550 0.007 0.000 0.292 488 Y C 2.585 178.401 175.900 -0.140 0.000 1.125 488 Y CA 0.192 58.168 58.100 -0.206 0.000 1.254 488 Y CB -0.373 37.943 38.460 -0.240 0.000 1.012 488 Y HN 0.146 nan 8.280 nan 0.000 0.555 489 M N -0.673 118.939 119.600 0.020 0.000 2.160 489 M HA -0.105 4.380 4.480 0.007 0.000 0.264 489 M C 1.734 178.012 176.300 -0.038 0.000 1.073 489 M CA 1.584 56.879 55.300 -0.009 0.000 1.142 489 M CB -0.198 32.390 32.600 -0.020 0.000 1.358 489 M HN 0.286 nan 8.290 nan 0.000 0.422 490 L N 0.026 121.217 121.223 -0.053 0.000 2.141 490 L HA -0.121 4.223 4.340 0.007 0.000 0.209 490 L C 2.670 179.503 176.870 -0.062 0.000 1.094 490 L CA 1.026 55.830 54.840 -0.059 0.000 0.763 490 L CB -0.923 41.095 42.059 -0.068 0.000 0.908 490 L HN 0.379 nan 8.230 nan 0.000 0.437 491 A N 0.138 122.925 122.820 -0.054 0.000 1.897 491 A HA -0.076 4.248 4.320 0.007 0.000 0.215 491 A C 2.521 180.044 177.584 -0.101 0.000 1.181 491 A CA 1.440 53.442 52.037 -0.058 0.000 0.620 491 A CB -0.508 18.481 19.000 -0.018 0.000 0.821 491 A HN 0.366 nan 8.150 nan 0.000 0.443 492 A N -0.981 121.791 122.820 -0.080 0.000 2.015 492 A HA -0.170 4.154 4.320 0.007 0.000 0.219 492 A C 2.149 179.673 177.584 -0.099 0.000 1.163 492 A CA 1.675 53.661 52.037 -0.086 0.000 0.646 492 A CB -0.431 18.534 19.000 -0.058 0.000 0.806 492 A HN 0.658 nan 8.150 nan 0.000 0.448 493 Q N -0.712 119.042 119.800 -0.076 0.000 2.033 493 Q HA -0.103 4.241 4.340 0.007 0.000 0.196 493 Q C 2.325 178.287 176.000 -0.063 0.000 0.970 493 Q CA 0.960 56.731 55.803 -0.054 0.000 0.828 493 Q CB -0.099 28.620 28.738 -0.033 0.000 0.895 493 Q HN 0.633 nan 8.270 nan 0.000 0.440 494 R N 0.300 120.749 120.500 -0.084 0.000 2.140 494 R HA -0.187 4.158 4.340 0.007 0.000 0.250 494 R C 1.965 178.204 176.300 -0.101 0.000 1.150 494 R CA 1.833 57.881 56.100 -0.088 0.000 0.966 494 R CB -0.158 30.091 30.300 -0.085 0.000 0.869 494 R HN 0.331 nan 8.270 nan 0.000 0.445 495 N N -0.486 118.095 118.700 -0.199 0.000 2.244 495 N HA -0.093 4.651 4.740 0.007 0.000 0.183 495 N C 1.712 177.176 175.510 -0.077 0.000 1.016 495 N CA 1.342 54.192 53.050 -0.332 0.000 0.866 495 N CB -0.570 37.477 38.487 -0.732 0.000 0.980 495 N HN 0.351 nan 8.380 nan 0.000 0.430 496 G N 1.560 110.329 108.800 -0.052 0.000 2.476 496 G HA2 -0.230 3.734 3.960 0.007 0.000 0.218 496 G HA3 -0.230 3.734 3.960 0.007 0.000 0.218 496 G C 1.250 176.187 174.900 0.062 0.000 1.164 496 G CA 0.717 45.822 45.100 0.009 0.000 0.768 496 G HN 0.262 nan 8.290 nan 0.000 0.560 497 E N 0.048 120.282 120.200 0.057 0.000 2.502 497 E HA 0.144 4.498 4.350 0.007 0.000 0.194 497 E C 2.273 178.933 176.600 0.099 0.000 1.062 497 E CA -0.029 56.424 56.400 0.089 0.000 0.867 497 E CB 0.188 29.932 29.700 0.074 0.000 0.888 497 E HN 0.575 nan 8.360 nan 0.000 0.510 498 I N 0.142 120.782 120.570 0.117 0.000 2.364 498 I HA -0.115 4.059 4.170 0.007 0.000 0.241 498 I C 2.213 178.434 176.117 0.173 0.000 1.082 498 I CA 0.479 61.875 61.300 0.160 0.000 1.401 498 I CB -0.208 37.940 38.000 0.246 0.000 1.126 498 I HN -0.006 nan 8.210 nan 0.000 0.429 499 I N 1.101 121.793 120.570 0.202 0.000 2.248 499 I HA -0.325 3.849 4.170 0.007 0.000 0.248 499 I C 2.421 178.620 176.117 0.135 0.000 1.107 499 I CA 1.629 63.038 61.300 0.180 0.000 1.373 499 I CB -0.581 37.535 38.000 0.193 0.000 1.055 499 I HN 0.232 nan 8.210 nan 0.000 0.418 500 K N 0.460 120.938 120.400 0.129 0.000 2.103 500 K HA -0.199 4.125 4.320 0.007 0.000 0.204 500 K C 2.080 178.811 176.600 0.219 0.000 1.052 500 K CA 1.238 57.603 56.287 0.131 0.000 0.945 500 K CB -0.119 32.456 32.500 0.124 0.000 0.722 500 K HN 0.117 nan 8.250 nan 0.000 0.443 501 E N 1.097 121.424 120.200 0.213 0.000 2.153 501 E HA -0.135 4.219 4.350 0.007 0.000 0.194 501 E C 1.622 178.345 176.600 0.206 0.000 0.988 501 E CA 1.241 57.770 56.400 0.216 0.000 0.811 501 E CB -0.041 29.726 29.700 0.111 0.000 0.746 501 E HN 0.299 nan 8.360 nan 0.000 0.466 502 A N 0.239 123.155 122.820 0.160 0.000 1.897 502 A HA -0.067 4.257 4.320 0.007 0.000 0.215 502 A C 1.926 179.580 177.584 0.118 0.000 1.181 502 A CA 0.840 52.952 52.037 0.124 0.000 0.620 502 A CB -0.405 18.658 19.000 0.105 0.000 0.821 502 A HN 0.315 nan 8.150 nan 0.000 0.443 503 L N -0.280 121.005 121.223 0.104 0.000 2.549 503 L HA -0.119 4.226 4.340 0.007 0.000 0.229 503 L C 1.946 178.809 176.870 -0.012 0.000 1.158 503 L CA 1.530 56.392 54.840 0.035 0.000 0.842 503 L CB -1.557 40.502 42.059 0.000 0.000 0.952 503 L HN 0.534 nan 8.230 nan 0.000 0.452 504 H N -0.758 118.336 119.070 0.039 0.000 2.333 504 H HA 0.024 4.584 4.556 0.007 0.000 0.302 504 H C 1.297 176.643 175.328 0.031 0.000 1.075 504 H CA 1.097 57.167 56.048 0.036 0.000 1.348 504 H CB 0.333 30.119 29.762 0.040 0.000 1.393 504 H HN 0.158 nan 8.280 nan 0.000 0.509 505 N N 1.065 119.857 118.700 0.155 0.000 2.813 505 N HA 0.114 4.858 4.740 0.007 0.000 0.282 505 N C -2.678 172.870 175.510 0.063 0.000 1.748 505 N CA -1.013 52.092 53.050 0.091 0.000 0.860 505 N CB 1.186 39.722 38.487 0.082 0.000 1.204 505 N HN 0.242 nan 8.380 nan 0.000 0.490 506 P HA 0.247 nan 4.420 nan 0.000 0.279 506 P C -0.551 176.766 177.300 0.030 0.000 1.282 506 P CA -0.346 62.777 63.100 0.039 0.000 0.788 506 P CB 1.181 32.900 31.700 0.030 0.000 1.139 507 N N -1.037 117.678 118.700 0.024 0.000 2.531 507 N HA 0.497 5.241 4.740 0.007 0.000 0.290 507 N C -1.351 174.168 175.510 0.015 0.000 1.257 507 N CA -0.736 52.325 53.050 0.018 0.000 0.863 507 N CB 0.782 39.278 38.487 0.016 0.000 1.320 507 N HN 0.270 nan 8.380 nan 0.000 0.538 508 L N 1.179 122.409 121.223 0.011 0.000 2.406 508 L HA 0.497 4.841 4.340 0.007 0.000 0.270 508 L C -0.781 176.093 176.870 0.007 0.000 0.982 508 L CA -0.298 54.547 54.840 0.009 0.000 0.843 508 L CB 1.388 43.452 42.059 0.008 0.000 1.225 508 L HN 0.472 nan 8.230 nan 0.000 0.412 509 S N 0.772 116.475 115.700 0.006 0.000 2.671 509 S HA 0.376 4.850 4.470 0.007 0.000 0.277 509 S C -0.049 174.553 174.600 0.003 0.000 1.165 509 S CA -0.574 57.628 58.200 0.004 0.000 0.822 509 S CB 2.301 65.503 63.200 0.003 0.000 1.150 509 S HN 0.343 nan 8.310 nan 0.000 0.479 510 V N -0.026 119.889 119.914 0.001 0.000 3.023 510 V HA 0.320 4.444 4.120 0.007 0.000 0.384 510 V C -0.349 175.746 176.094 0.001 0.000 1.289 510 V CA -0.694 61.606 62.300 0.001 0.000 1.383 510 V CB -1.783 30.039 31.823 -0.000 0.000 1.388 510 V HN 0.778 nan 8.190 nan 0.000 0.551 511 D N -0.311 120.090 120.400 0.002 0.000 2.354 511 D HA 0.435 5.079 4.640 0.007 0.000 0.247 511 D C -0.131 176.171 176.300 0.003 0.000 1.138 511 D CA -0.525 53.476 54.000 0.001 0.000 0.958 511 D CB 0.949 41.750 40.800 0.001 0.000 1.144 511 D HN 0.490 nan 8.370 nan 0.000 0.458 512 E N -0.296 119.906 120.200 0.003 0.000 2.212 512 E HA 0.342 4.697 4.350 0.007 0.000 0.270 512 E C -2.250 174.358 176.600 0.013 0.000 0.956 512 E CA -2.175 54.230 56.400 0.007 0.000 0.825 512 E CB 1.061 30.764 29.700 0.006 0.000 1.167 512 E HN 0.348 nan 8.360 nan 0.000 0.400 513 P HA -0.040 nan 4.420 nan 0.000 0.262 513 P C -0.727 176.596 177.300 0.039 0.000 1.182 513 P CA 0.375 63.503 63.100 0.046 0.000 0.761 513 P CB 0.321 32.062 31.700 0.068 0.000 0.795 514 L N 3.094 124.333 121.223 0.026 0.000 2.416 514 L HA 0.102 4.446 4.340 0.007 0.000 0.272 514 L C 0.945 177.802 176.870 -0.021 0.000 1.161 514 L CA 0.016 54.845 54.840 -0.018 0.000 0.845 514 L CB 0.169 42.185 42.059 -0.070 0.000 1.119 514 L HN 0.329 nan 8.230 nan 0.000 0.464 515 D N 3.595 123.974 120.400 -0.034 0.000 2.393 515 D HA 0.373 5.017 4.640 0.007 0.000 0.232 515 D C -0.926 175.319 176.300 -0.092 0.000 1.192 515 D CA -0.032 53.945 54.000 -0.038 0.000 0.882 515 D CB 0.523 41.314 40.800 -0.014 0.000 1.038 515 D HN 0.187 nan 8.370 nan 0.000 0.499 516 V N 1.011 120.820 119.914 -0.175 0.000 3.012 516 V HA 0.482 4.606 4.120 0.007 0.000 0.307 516 V C -0.535 175.361 176.094 -0.329 0.000 1.166 516 V CA -1.307 60.869 62.300 -0.207 0.000 0.974 516 V CB 1.831 33.529 31.823 -0.208 0.000 1.040 516 V HN 0.326 nan 8.190 nan 0.000 0.428 517 D N 1.957 122.275 120.400 -0.137 0.000 2.343 517 D HA 0.282 4.926 4.640 0.007 0.000 0.255 517 D C 0.231 176.482 176.300 -0.082 0.000 1.187 517 D CA 0.117 54.072 54.000 -0.076 0.000 0.875 517 D CB 0.865 41.685 40.800 0.033 0.000 1.136 517 D HN 0.575 nan 8.370 nan 0.000 0.469 518 Y N 2.374 122.701 120.300 0.046 0.000 2.583 518 Y HA 0.111 4.665 4.550 0.007 0.000 0.293 518 Y C 1.948 177.750 175.900 -0.163 0.000 1.157 518 Y CA 0.109 58.193 58.100 -0.027 0.000 1.315 518 Y CB 0.005 38.445 38.460 -0.034 0.000 1.021 518 Y HN 0.381 nan 8.280 nan 0.000 0.536 519 R N -0.362 120.038 120.500 -0.167 0.000 2.357 519 R HA 0.001 4.345 4.340 0.007 0.000 0.202 519 R C -0.882 175.018 176.300 -0.666 0.000 1.047 519 R CA 0.548 56.357 56.100 -0.485 0.000 1.034 519 R CB -0.091 29.652 30.300 -0.927 0.000 0.875 519 R HN 0.102 nan 8.270 nan 0.000 0.473 520 F N -0.628 119.350 119.950 0.046 0.000 2.588 520 F HA 0.197 4.729 4.527 0.007 0.000 0.310 520 F C -0.096 175.705 175.800 0.001 0.000 1.082 520 F CA -2.075 55.954 58.000 0.048 0.000 0.929 520 F CB 1.088 40.121 39.000 0.055 0.000 1.254 520 F HN -0.285 nan 8.300 nan 0.000 0.455 521 D N 2.388 122.916 120.400 0.214 0.000 2.554 521 D HA -0.021 4.623 4.640 0.007 0.000 0.251 521 D C -0.128 176.292 176.300 0.201 0.000 1.213 521 D CA 0.586 54.651 54.000 0.110 0.000 0.900 521 D CB -0.077 40.781 40.800 0.098 0.000 1.135 521 D HN 0.056 nan 8.370 nan 0.000 0.522 522 F N 1.685 121.684 119.950 0.082 0.000 2.604 522 F HA -0.075 4.456 4.527 0.007 0.000 0.393 522 F C 1.636 177.458 175.800 0.037 0.000 1.043 522 F CA -0.503 57.529 58.000 0.052 0.000 1.227 522 F CB -0.469 38.562 39.000 0.053 0.000 1.016 522 F HN 0.096 nan 8.300 nan 0.000 0.556 523 S N 2.218 118.040 115.700 0.203 0.000 2.681 523 S HA 0.220 4.694 4.470 0.007 0.000 0.270 523 S C 1.024 175.660 174.600 0.059 0.000 1.209 523 S CA -0.741 57.518 58.200 0.099 0.000 0.988 523 S CB 1.117 64.350 63.200 0.055 0.000 1.006 523 S HN 0.536 nan 8.310 nan 0.000 0.558 524 D N 0.894 121.316 120.400 0.037 0.000 2.116 524 D HA -0.138 4.506 4.640 0.007 0.000 0.193 524 D C 1.741 178.041 176.300 0.000 0.000 0.998 524 D CA 1.814 55.826 54.000 0.021 0.000 0.836 524 D CB -0.456 40.353 40.800 0.015 0.000 0.951 524 D HN 0.729 nan 8.370 nan 0.000 0.449 525 E N 0.217 120.411 120.200 -0.011 0.000 2.070 525 E HA -0.142 4.212 4.350 0.007 0.000 0.197 525 E C 2.274 178.840 176.600 -0.056 0.000 1.004 525 E CA 0.766 57.149 56.400 -0.029 0.000 0.805 525 E CB -0.193 29.489 29.700 -0.029 0.000 0.744 525 E HN 0.379 nan 8.360 nan 0.000 0.451 526 I N 0.365 120.884 120.570 -0.085 0.000 2.233 526 I HA -0.245 3.929 4.170 0.007 0.000 0.243 526 I C 2.129 178.138 176.117 -0.179 0.000 1.093 526 I CA 1.043 62.235 61.300 -0.180 0.000 1.380 526 I CB -0.359 37.449 38.000 -0.320 0.000 1.067 526 I HN -0.034 nan 8.210 nan 0.000 0.413 527 K N 0.750 121.088 120.400 -0.103 0.000 2.127 527 K HA -0.214 4.110 4.320 0.007 0.000 0.208 527 K C 1.995 178.581 176.600 -0.024 0.000 1.047 527 K CA 1.403 57.671 56.287 -0.033 0.000 0.927 527 K CB -0.212 32.315 32.500 0.045 0.000 0.716 527 K HN 0.344 nan 8.250 nan 0.000 0.450 528 E N 0.681 120.866 120.200 -0.026 0.000 2.285 528 E HA -0.073 4.281 4.350 0.007 0.000 0.194 528 E C 1.666 178.252 176.600 -0.024 0.000 0.997 528 E CA 0.631 57.022 56.400 -0.015 0.000 0.845 528 E CB 0.197 29.891 29.700 -0.010 0.000 0.782 528 E HN 0.252 nan 8.360 nan 0.000 0.491 529 K N 0.290 120.662 120.400 -0.046 0.000 2.211 529 K HA -0.064 4.260 4.320 0.007 0.000 0.203 529 K C 2.002 178.578 176.600 -0.040 0.000 1.050 529 K CA 0.417 56.676 56.287 -0.047 0.000 0.945 529 K CB 0.021 32.479 32.500 -0.070 0.000 0.732 529 K HN -0.008 nan 8.250 nan 0.000 0.451 530 I N 1.703 122.244 120.570 -0.047 0.000 2.286 530 I HA -0.261 3.914 4.170 0.007 0.000 0.248 530 I C 1.657 177.781 176.117 0.012 0.000 1.115 530 I CA 1.470 62.759 61.300 -0.019 0.000 1.392 530 I CB -0.042 37.951 38.000 -0.011 0.000 1.065 530 I HN -0.002 nan 8.210 nan 0.000 0.418 531 K N 0.060 120.468 120.400 0.012 0.000 2.519 531 K HA -0.133 4.191 4.320 0.007 0.000 0.196 531 K C 1.778 178.389 176.600 0.017 0.000 1.041 531 K CA 0.666 56.966 56.287 0.022 0.000 0.954 531 K CB 0.032 32.543 32.500 0.019 0.000 0.774 531 K HN 0.203 nan 8.250 nan 0.000 0.480 532 K N 0.529 120.934 120.400 0.009 0.000 2.450 532 K HA 0.140 4.465 4.320 0.007 0.000 0.206 532 K C 0.100 176.704 176.600 0.007 0.000 1.148 532 K CA -0.185 56.106 56.287 0.007 0.000 1.014 532 K CB 0.503 33.003 32.500 0.001 0.000 0.966 532 K HN 0.005 nan 8.250 nan 0.000 0.566 533 L N 2.548 123.775 121.223 0.007 0.000 2.439 533 L HA 0.047 4.391 4.340 0.007 0.000 0.269 533 L C 0.302 177.182 176.870 0.017 0.000 1.179 533 L CA 0.333 55.178 54.840 0.009 0.000 0.828 533 L CB 1.040 43.103 42.059 0.007 0.000 1.106 533 L HN 0.125 nan 8.230 nan 0.000 0.467 534 S N 3.009 118.718 115.700 0.015 0.000 2.579 534 S HA 0.289 4.763 4.470 0.007 0.000 0.275 534 S C 1.202 175.815 174.600 0.021 0.000 1.345 534 S CA -0.164 58.045 58.200 0.016 0.000 1.031 534 S CB 1.095 64.302 63.200 0.011 0.000 0.892 534 S HN 0.843 nan 8.310 nan 0.000 0.529 535 A N 2.505 125.337 122.820 0.020 0.000 1.933 535 A HA -0.108 4.216 4.320 0.007 0.000 0.218 535 A C 2.187 179.783 177.584 0.020 0.000 1.175 535 A CA 1.775 53.825 52.037 0.021 0.000 0.628 535 A CB -0.868 18.141 19.000 0.015 0.000 0.814 535 A HN 0.964 nan 8.150 nan 0.000 0.444 536 K N 0.264 120.672 120.400 0.013 0.000 1.978 536 K HA -0.193 4.131 4.320 0.007 0.000 0.214 536 K C 2.429 179.038 176.600 0.014 0.000 1.049 536 K CA 2.126 58.419 56.287 0.009 0.000 0.939 536 K CB -0.276 32.226 32.500 0.003 0.000 0.721 536 K HN 0.616 nan 8.250 nan 0.000 0.441 537 S N 0.898 116.608 115.700 0.017 0.000 2.382 537 S HA -0.151 4.323 4.470 0.007 0.000 0.228 537 S C 2.144 176.772 174.600 0.046 0.000 1.027 537 S CA 1.039 59.254 58.200 0.025 0.000 0.991 537 S CB -0.626 62.587 63.200 0.022 0.000 0.823 537 S HN 0.327 nan 8.310 nan 0.000 0.469 538 L N 1.704 122.956 121.223 0.048 0.000 2.042 538 L HA -0.149 4.195 4.340 0.007 0.000 0.210 538 L C 2.694 179.610 176.870 0.076 0.000 1.076 538 L CA 1.416 56.296 54.840 0.068 0.000 0.749 538 L CB -0.690 41.404 42.059 0.059 0.000 0.893 538 L HN 0.355 nan 8.230 nan 0.000 0.432 539 N N -0.197 118.537 118.700 0.057 0.000 2.104 539 N HA -0.232 4.512 4.740 0.007 0.000 0.190 539 N C 1.725 177.285 175.510 0.083 0.000 1.024 539 N CA 1.172 54.258 53.050 0.061 0.000 0.853 539 N CB -0.171 38.339 38.487 0.040 0.000 1.008 539 N HN 0.225 nan 8.380 nan 0.000 0.424 540 E N 0.195 120.429 120.200 0.057 0.000 2.516 540 E HA 0.061 4.415 4.350 0.007 0.000 0.199 540 E C 1.612 178.270 176.600 0.097 0.000 1.069 540 E CA 0.412 56.838 56.400 0.042 0.000 0.876 540 E CB -0.027 29.670 29.700 -0.006 0.000 0.843 540 E HN 0.367 nan 8.360 nan 0.000 0.530 541 M N -1.150 118.523 119.600 0.122 0.000 2.557 541 M HA 0.036 4.520 4.480 0.007 0.000 0.262 541 M C 1.753 178.091 176.300 0.064 0.000 1.168 541 M CA 0.237 55.635 55.300 0.163 0.000 1.194 541 M CB -0.047 32.699 32.600 0.243 0.000 1.311 541 M HN 0.225 nan 8.290 nan 0.000 0.489 542 L N 0.525 121.798 121.223 0.082 0.000 2.013 542 L HA -0.214 4.130 4.340 0.007 0.000 0.212 542 L C 2.170 179.029 176.870 -0.018 0.000 1.073 542 L CA 1.991 56.846 54.840 0.025 0.000 0.753 542 L CB -0.947 41.139 42.059 0.044 0.000 0.890 542 L HN 0.208 nan 8.230 nan 0.000 0.432 543 F N 0.544 120.440 119.950 -0.090 0.000 2.063 543 F HA -0.280 4.251 4.527 0.007 0.000 0.298 543 F C 2.621 178.325 175.800 -0.161 0.000 1.109 543 F CA 2.030 59.969 58.000 -0.102 0.000 1.212 543 F CB -0.349 38.610 39.000 -0.068 0.000 0.973 543 F HN 0.060 nan 8.300 nan 0.000 0.480 544 R N -0.061 120.518 120.500 0.132 0.000 2.092 544 R HA -0.093 4.251 4.340 0.007 0.000 0.231 544 R C 2.380 178.372 176.300 -0.513 0.000 1.119 544 R CA 1.119 57.163 56.100 -0.094 0.000 0.970 544 R CB -0.943 29.319 30.300 -0.064 0.000 0.864 544 R HN 0.416 nan 8.270 nan 0.000 0.440 545 A N 1.183 123.562 122.820 -0.736 0.000 1.898 545 A HA -0.185 4.139 4.320 0.007 0.000 0.216 545 A C 2.049 179.437 177.584 -0.328 0.000 1.181 545 A CA 1.088 52.713 52.037 -0.686 0.000 0.620 545 A CB -0.313 18.429 19.000 -0.429 0.000 0.819 545 A HN 0.318 nan 8.150 nan 0.000 0.442 546 Q N -1.338 118.295 119.800 -0.278 0.000 2.167 546 Q HA -0.148 4.196 4.340 0.007 0.000 0.202 546 Q C 2.289 178.136 176.000 -0.256 0.000 0.970 546 Q CA 1.392 57.046 55.803 -0.248 0.000 0.855 546 Q CB -0.102 28.463 28.738 -0.289 0.000 0.911 546 Q HN 0.483 nan 8.270 nan 0.000 0.438 547 R N 0.054 120.385 120.500 -0.281 0.000 2.148 547 R HA -0.053 4.292 4.340 0.007 0.000 0.223 547 R C 1.938 178.164 176.300 -0.123 0.000 1.088 547 R CA 1.549 57.526 56.100 -0.205 0.000 0.985 547 R CB -0.244 29.985 30.300 -0.117 0.000 0.880 547 R HN 0.245 nan 8.270 nan 0.000 0.451 548 T N -0.590 113.888 114.554 -0.127 0.000 2.851 548 T HA -0.047 4.307 4.350 0.007 0.000 0.262 548 T C 1.520 176.180 174.700 -0.066 0.000 1.043 548 T CA 0.887 62.944 62.100 -0.072 0.000 1.140 548 T CB -0.177 68.668 68.868 -0.040 0.000 0.872 548 T HN 0.290 nan 8.240 nan 0.000 0.446 549 E N 0.857 121.003 120.200 -0.091 0.000 2.077 549 E HA -0.131 4.223 4.350 0.007 0.000 0.193 549 E C 2.252 178.817 176.600 -0.058 0.000 0.989 549 E CA 1.098 57.456 56.400 -0.069 0.000 0.800 549 E CB -0.104 29.546 29.700 -0.082 0.000 0.746 549 E HN 0.304 nan 8.360 nan 0.000 0.452 550 V N 1.208 121.075 119.914 -0.078 0.000 2.407 550 V HA -0.254 3.870 4.120 0.007 0.000 0.248 550 V C 2.465 178.530 176.094 -0.049 0.000 1.055 550 V CA 1.705 63.969 62.300 -0.060 0.000 1.049 550 V CB -0.838 30.934 31.823 -0.086 0.000 0.662 550 V HN 0.349 nan 8.190 nan 0.000 0.455 551 A N 0.720 123.504 122.820 -0.059 0.000 1.933 551 A HA -0.058 4.266 4.320 0.007 0.000 0.218 551 A C 2.409 179.973 177.584 -0.033 0.000 1.175 551 A CA 1.857 53.863 52.037 -0.051 0.000 0.628 551 A CB -1.145 17.828 19.000 -0.045 0.000 0.814 551 A HN 0.517 nan 8.150 nan 0.000 0.444 552 G N -0.729 108.063 108.800 -0.012 0.000 2.453 552 G HA2 -0.241 3.724 3.960 0.007 0.000 0.215 552 G HA3 -0.241 3.724 3.960 0.007 0.000 0.215 552 G C 1.555 176.445 174.900 -0.016 0.000 1.201 552 G CA 1.264 46.374 45.100 0.017 0.000 0.784 552 G HN 0.287 nan 8.290 nan 0.000 0.545 553 M N 0.694 120.280 119.600 -0.024 0.000 2.226 553 M HA -0.164 4.320 4.480 0.007 0.000 0.257 553 M C 2.725 179.010 176.300 -0.026 0.000 1.070 553 M CA 2.219 57.501 55.300 -0.030 0.000 1.087 553 M CB -1.667 30.931 32.600 -0.003 0.000 1.278 553 M HN 0.259 nan 8.290 nan 0.000 0.426 554 T N 0.866 115.427 114.554 0.012 0.000 2.624 554 T HA -0.177 4.177 4.350 0.007 0.000 0.268 554 T C 1.757 176.414 174.700 -0.073 0.000 1.041 554 T CA 2.168 64.301 62.100 0.055 0.000 1.159 554 T CB -0.516 68.397 68.868 0.073 0.000 0.863 554 T HN 0.557 nan 8.240 nan 0.000 0.434 555 A N 1.499 124.212 122.820 -0.178 0.000 1.930 555 A HA -0.130 4.194 4.320 0.007 0.000 0.217 555 A C 2.293 179.726 177.584 -0.252 0.000 1.175 555 A CA 1.882 53.700 52.037 -0.365 0.000 0.627 555 A CB -0.578 17.906 19.000 -0.860 0.000 0.815 555 A HN 0.660 nan 8.150 nan 0.000 0.443 556 Q N -0.178 119.540 119.800 -0.137 0.000 2.033 556 Q HA 0.055 4.399 4.340 0.007 0.000 0.196 556 Q C 1.883 177.829 176.000 -0.089 0.000 0.970 556 Q CA 1.767 57.524 55.803 -0.077 0.000 0.828 556 Q CB -0.721 27.987 28.738 -0.050 0.000 0.895 556 Q HN 0.488 nan 8.270 nan 0.000 0.440 557 I N 0.570 121.067 120.570 -0.122 0.000 2.286 557 I HA -0.250 3.924 4.170 0.007 0.000 0.248 557 I C 1.056 177.112 176.117 -0.102 0.000 1.115 557 I CA 1.484 62.657 61.300 -0.212 0.000 1.392 557 I CB -0.048 37.692 38.000 -0.432 0.000 1.065 557 I HN 0.364 nan 8.210 nan 0.000 0.418 558 N N -0.165 118.534 118.700 -0.001 0.000 2.409 558 N HA -0.050 4.694 4.740 0.007 0.000 0.179 558 N C 1.761 177.304 175.510 0.056 0.000 1.032 558 N CA 0.457 53.579 53.050 0.120 0.000 0.898 558 N CB 0.109 38.627 38.487 0.051 0.000 0.971 558 N HN 0.242 nan 8.380 nan 0.000 0.441 559 R N 0.724 121.217 120.500 -0.012 0.000 2.100 559 R HA 0.037 4.381 4.340 0.007 0.000 0.220 559 R C 2.025 178.366 176.300 0.070 0.000 1.091 559 R CA 0.645 56.742 56.100 -0.005 0.000 0.986 559 R CB 0.012 30.280 30.300 -0.053 0.000 0.888 559 R HN 0.144 nan 8.270 nan 0.000 0.444 560 K N 1.205 121.637 120.400 0.052 0.000 2.044 560 K HA -0.175 4.149 4.320 0.007 0.000 0.210 560 K C 2.006 178.691 176.600 0.143 0.000 1.049 560 K CA 1.724 58.064 56.287 0.088 0.000 0.927 560 K CB -0.184 32.330 32.500 0.022 0.000 0.713 560 K HN 0.135 nan 8.250 nan 0.000 0.443 561 A N 1.272 124.191 122.820 0.163 0.000 1.948 561 A HA -0.185 4.139 4.320 0.007 0.000 0.220 561 A C 2.068 179.798 177.584 0.243 0.000 1.177 561 A CA 1.528 53.713 52.037 0.246 0.000 0.636 561 A CB -0.610 18.600 19.000 0.350 0.000 0.815 561 A HN 0.400 nan 8.150 nan 0.000 0.449 562 L N 0.607 121.968 121.223 0.231 0.000 2.044 562 L HA -0.100 4.244 4.340 0.007 0.000 0.205 562 L C 2.462 179.666 176.870 0.556 0.000 1.075 562 L CA 1.970 57.001 54.840 0.319 0.000 0.747 562 L CB -0.637 41.499 42.059 0.127 0.000 0.903 562 L HN 0.615 nan 8.230 nan 0.000 0.435 563 I N -2.379 118.444 120.570 0.421 0.000 2.163 563 I HA -0.268 3.906 4.170 0.007 0.000 0.243 563 I C 1.952 178.199 176.117 0.218 0.000 1.085 563 I CA 1.869 63.375 61.300 0.344 0.000 1.347 563 I CB -1.064 37.099 38.000 0.271 0.000 1.044 563 I HN 0.229 nan 8.210 nan 0.000 0.408 564 N N 1.571 120.408 118.700 0.228 0.000 2.166 564 N HA -0.114 4.630 4.740 0.007 0.000 0.186 564 N C 2.012 177.689 175.510 0.278 0.000 1.019 564 N CA 1.609 54.807 53.050 0.247 0.000 0.856 564 N CB -0.509 38.103 38.487 0.207 0.000 0.993 564 N HN 0.370 nan 8.380 nan 0.000 0.426 565 S N 0.651 116.502 115.700 0.251 0.000 2.442 565 S HA -0.039 4.435 4.470 0.007 0.000 0.236 565 S C 1.713 176.346 174.600 0.055 0.000 1.007 565 S CA 0.271 58.591 58.200 0.200 0.000 0.965 565 S CB -0.180 63.183 63.200 0.272 0.000 0.773 565 S HN 0.187 nan 8.310 nan 0.000 0.504 566 L N 1.012 122.189 121.223 -0.077 0.000 2.093 566 L HA -0.035 4.309 4.340 0.007 0.000 0.208 566 L C 1.963 178.642 176.870 -0.317 0.000 1.085 566 L CA 1.665 56.149 54.840 -0.594 0.000 0.755 566 L CB -1.104 40.272 42.059 -1.137 0.000 0.904 566 L HN 0.466 nan 8.230 nan 0.000 0.435 567 Y N -0.156 120.044 120.300 -0.167 0.000 2.145 567 Y HA -0.064 4.490 4.550 0.007 0.000 0.286 567 Y C 2.219 178.103 175.900 -0.028 0.000 1.145 567 Y CA 1.777 59.833 58.100 -0.073 0.000 1.148 567 Y CB -1.017 37.478 38.460 0.059 0.000 0.981 567 Y HN 0.119 nan 8.280 nan 0.000 0.507 568 G N 0.235 108.742 108.800 -0.488 0.000 2.432 568 G HA2 -0.236 3.728 3.960 0.007 0.000 0.219 568 G HA3 -0.236 3.728 3.960 0.007 0.000 0.219 568 G C 1.786 176.490 174.900 -0.326 0.000 1.135 568 G CA 0.973 45.788 45.100 -0.474 0.000 0.767 568 G HN 0.685 nan 8.290 nan 0.000 0.550 569 A N 0.790 123.374 122.820 -0.394 0.000 1.902 569 A HA 0.112 4.437 4.320 0.007 0.000 0.217 569 A C 2.268 179.658 177.584 -0.324 0.000 1.181 569 A CA 0.971 52.621 52.037 -0.645 0.000 0.623 569 A CB -0.403 17.721 19.000 -1.461 0.000 0.818 569 A HN 0.339 nan 8.150 nan 0.000 0.443 570 L N -0.730 120.362 121.223 -0.218 0.000 2.642 570 L HA -0.097 4.247 4.340 0.007 0.000 0.236 570 L C 1.884 178.702 176.870 -0.087 0.000 1.169 570 L CA 0.740 55.583 54.840 0.005 0.000 0.851 570 L CB -0.331 41.682 42.059 -0.077 0.000 0.968 570 L HN 0.533 nan 8.230 nan 0.000 0.453 571 G N -1.437 107.337 108.800 -0.044 0.000 3.735 571 G HA2 -0.014 3.950 3.960 0.007 0.000 0.283 571 G HA3 -0.014 3.950 3.960 0.007 0.000 0.283 571 G C 0.083 175.199 174.900 0.360 0.000 1.007 571 G CA -0.279 44.875 45.100 0.090 0.000 0.821 571 G HN 0.101 nan 8.290 nan 0.000 0.505 572 N N 1.564 120.489 118.700 0.377 0.000 2.476 572 N HA 0.130 4.874 4.740 0.007 0.000 0.257 572 N C 1.745 177.222 175.510 -0.056 0.000 0.970 572 N CA -0.298 52.862 53.050 0.183 0.000 0.938 572 N CB 2.187 40.780 38.487 0.177 0.000 1.144 572 N HN -0.036 nan 8.380 nan 0.000 0.500 573 V N 1.944 121.538 119.914 -0.533 0.000 2.660 573 V HA -0.155 3.970 4.120 0.007 0.000 0.257 573 V C 1.198 176.895 176.094 -0.662 0.000 1.088 573 V CA 1.213 62.899 62.300 -1.023 0.000 1.106 573 V CB -0.914 30.321 31.823 -0.980 0.000 0.686 573 V HN 0.652 nan 8.190 nan 0.000 0.481 574 W N -1.522 119.755 121.300 -0.038 0.000 3.197 574 W HA 0.431 5.096 4.660 0.008 0.000 0.274 574 W C 0.943 177.551 176.519 0.149 0.000 1.297 574 W CA -0.889 56.481 57.345 0.042 0.000 1.662 574 W CB 0.010 29.493 29.460 0.039 0.000 1.106 574 W HN 0.170 nan 8.180 nan 0.000 0.663 575 F N 2.104 122.172 119.950 0.198 0.000 2.443 575 F HA 0.217 4.747 4.527 0.007 0.000 0.353 575 F C 1.805 177.699 175.800 0.158 0.000 1.101 575 F CA -1.143 56.984 58.000 0.212 0.000 1.226 575 F CB 0.809 39.949 39.000 0.233 0.000 1.140 575 F HN -0.217 nan 8.300 nan 0.000 0.557 576 R N 3.218 123.429 120.500 -0.482 0.000 2.159 576 R HA -0.177 4.167 4.340 0.007 0.000 0.237 576 R C 0.315 176.060 176.300 -0.926 0.000 1.131 576 R CA 1.731 57.423 56.100 -0.680 0.000 0.982 576 R CB -0.178 29.639 30.300 -0.806 0.000 0.868 576 R HN 0.734 nan 8.270 nan 0.000 0.453 577 Y N -1.583 118.230 120.300 -0.812 0.000 2.636 577 Y HA 0.102 4.656 4.550 0.007 0.000 0.260 577 Y C -0.489 175.430 175.900 0.032 0.000 1.177 577 Y CA -1.052 56.853 58.100 -0.326 0.000 1.209 577 Y CB -0.289 37.990 38.460 -0.302 0.000 1.166 577 Y HN 0.003 nan 8.280 nan 0.000 0.531 578 Y N 2.890 123.253 120.300 0.105 0.000 2.865 578 Y HA 0.105 4.660 4.550 0.008 0.000 0.338 578 Y C -0.205 175.652 175.900 -0.073 0.000 1.269 578 Y CA 0.330 58.487 58.100 0.095 0.000 1.585 578 Y CB 0.286 38.740 38.460 -0.010 0.000 1.224 578 Y HN 0.208 nan 8.280 nan 0.000 0.554 579 D N 6.663 126.689 120.400 -0.624 0.000 2.312 579 D HA 0.052 4.696 4.640 0.007 0.000 0.229 579 D C -0.078 175.866 176.300 -0.592 0.000 1.337 579 D CA -0.479 53.157 54.000 -0.607 0.000 0.964 579 D CB 0.647 41.312 40.800 -0.225 0.000 1.456 579 D HN 0.552 nan 8.370 nan 0.000 0.547 580 L N 3.160 123.927 121.223 -0.761 0.000 2.137 580 L HA -0.079 4.266 4.340 0.007 0.000 0.213 580 L C 2.372 179.018 176.870 -0.372 0.000 1.085 580 L CA 1.538 56.030 54.840 -0.581 0.000 0.760 580 L CB -0.644 41.153 42.059 -0.437 0.000 0.893 580 L HN 0.442 nan 8.230 nan 0.000 0.434 581 R N -0.624 119.713 120.500 -0.272 0.000 2.119 581 R HA -0.203 4.141 4.340 0.007 0.000 0.246 581 R C 2.064 178.298 176.300 -0.110 0.000 1.146 581 R CA 1.790 57.789 56.100 -0.168 0.000 0.962 581 R CB -0.201 30.011 30.300 -0.147 0.000 0.863 581 R HN 0.471 nan 8.270 nan 0.000 0.442 582 N N -0.192 118.437 118.700 -0.118 0.000 2.109 582 N HA -0.082 4.663 4.740 0.007 0.000 0.188 582 N C 1.625 177.064 175.510 -0.117 0.000 1.034 582 N CA 1.499 54.517 53.050 -0.053 0.000 0.846 582 N CB -0.534 37.929 38.487 -0.041 0.000 1.010 582 N HN 0.224 nan 8.380 nan 0.000 0.425 583 A N 0.807 123.493 122.820 -0.224 0.000 1.908 583 A HA -0.171 4.153 4.320 0.007 0.000 0.218 583 A C 2.373 179.875 177.584 -0.136 0.000 1.181 583 A CA 2.553 54.460 52.037 -0.216 0.000 0.627 583 A CB -1.260 17.399 19.000 -0.569 0.000 0.818 583 A HN 0.543 nan 8.150 nan 0.000 0.445 584 T N -2.071 112.349 114.554 -0.224 0.000 2.821 584 T HA 0.106 4.460 4.350 0.007 0.000 0.267 584 T C 1.956 176.644 174.700 -0.020 0.000 1.046 584 T CA 1.477 63.550 62.100 -0.044 0.000 1.139 584 T CB -0.630 68.213 68.868 -0.042 0.000 0.871 584 T HN 0.608 nan 8.240 nan 0.000 0.454 585 A N 1.405 124.199 122.820 -0.043 0.000 1.978 585 A HA 0.064 4.388 4.320 0.007 0.000 0.220 585 A C 2.307 179.846 177.584 -0.076 0.000 1.170 585 A CA 1.354 53.382 52.037 -0.014 0.000 0.636 585 A CB -0.844 18.188 19.000 0.053 0.000 0.810 585 A HN 0.623 nan 8.150 nan 0.000 0.448 586 I N -0.184 120.293 120.570 -0.155 0.000 2.141 586 I HA -0.201 3.973 4.170 0.007 0.000 0.236 586 I C 2.919 178.779 176.117 -0.429 0.000 1.071 586 I CA 1.758 62.855 61.300 -0.338 0.000 1.345 586 I CB -0.838 36.925 38.000 -0.395 0.000 1.066 586 I HN 0.484 nan 8.210 nan 0.000 0.406 587 T N -1.509 112.850 114.554 -0.326 0.000 2.684 587 T HA -0.197 4.158 4.350 0.007 0.000 0.267 587 T C 1.842 176.543 174.700 0.002 0.000 1.036 587 T CA 2.100 64.088 62.100 -0.188 0.000 1.148 587 T CB -1.183 67.769 68.868 0.141 0.000 0.863 587 T HN 0.261 nan 8.240 nan 0.000 0.436 588 T N 1.584 116.161 114.554 0.038 0.000 2.652 588 T HA -0.048 4.306 4.350 0.007 0.000 0.267 588 T C 1.429 176.160 174.700 0.051 0.000 1.039 588 T CA 1.441 63.575 62.100 0.056 0.000 1.153 588 T CB -0.810 68.080 68.868 0.037 0.000 0.863 588 T HN 0.361 nan 8.240 nan 0.000 0.428 589 F N 2.076 121.963 119.950 -0.105 0.000 2.120 589 F HA -0.056 4.475 4.527 0.007 0.000 0.300 589 F C 2.418 178.179 175.800 -0.065 0.000 1.095 589 F CA 1.307 59.236 58.000 -0.117 0.000 1.249 589 F CB -0.836 38.064 39.000 -0.167 0.000 0.995 589 F HN 0.199 nan 8.300 nan 0.000 0.480 590 G N -0.768 108.159 108.800 0.211 0.000 2.450 590 G HA2 -0.264 3.700 3.960 0.007 0.000 0.220 590 G HA3 -0.264 3.700 3.960 0.007 0.000 0.220 590 G C 1.462 176.476 174.900 0.191 0.000 1.130 590 G CA 0.881 46.129 45.100 0.246 0.000 0.760 590 G HN 0.470 nan 8.290 nan 0.000 0.557 591 Q N -0.760 119.119 119.800 0.131 0.000 2.083 591 Q HA 0.080 4.424 4.340 0.007 0.000 0.198 591 Q C 2.454 178.443 176.000 -0.018 0.000 0.969 591 Q CA 1.127 56.986 55.803 0.093 0.000 0.838 591 Q CB -0.242 28.544 28.738 0.080 0.000 0.900 591 Q HN 0.572 nan 8.270 nan 0.000 0.436 592 M N 0.681 120.240 119.600 -0.068 0.000 2.067 592 M HA -0.179 4.306 4.480 0.007 0.000 0.260 592 M C 2.174 178.450 176.300 -0.040 0.000 1.069 592 M CA 1.865 57.102 55.300 -0.106 0.000 1.117 592 M CB -0.187 32.252 32.600 -0.268 0.000 1.334 592 M HN 0.219 nan 8.290 nan 0.000 0.407 593 A N 0.774 123.533 122.820 -0.102 0.000 1.873 593 A HA -0.221 4.103 4.320 0.007 0.000 0.218 593 A C 2.043 179.794 177.584 0.279 0.000 1.193 593 A CA 2.016 54.104 52.037 0.085 0.000 0.629 593 A CB -1.270 17.810 19.000 0.133 0.000 0.826 593 A HN 0.642 nan 8.150 nan 0.000 0.447 594 L N -0.357 120.993 121.223 0.212 0.000 1.943 594 L HA -0.239 4.105 4.340 0.007 0.000 0.215 594 L C 2.439 179.394 176.870 0.143 0.000 1.074 594 L CA 2.748 57.715 54.840 0.211 0.000 0.759 594 L CB -1.251 40.941 42.059 0.222 0.000 0.888 594 L HN 0.528 nan 8.230 nan 0.000 0.433 595 Q N -1.247 118.578 119.800 0.043 0.000 2.197 595 Q HA -0.268 4.077 4.340 0.007 0.000 0.207 595 Q C 1.928 177.933 176.000 0.008 0.000 0.984 595 Q CA 2.134 57.907 55.803 -0.049 0.000 0.869 595 Q CB -0.527 28.059 28.738 -0.253 0.000 0.906 595 Q HN 0.766 nan 8.270 nan 0.000 0.426 596 W N 0.711 121.939 121.300 -0.120 0.000 2.332 596 W HA -0.244 4.420 4.660 0.007 0.000 0.321 596 W C 1.708 178.115 176.519 -0.186 0.000 1.219 596 W CA 1.221 58.486 57.345 -0.133 0.000 1.277 596 W CB -0.529 28.871 29.460 -0.099 0.000 1.161 596 W HN 0.187 nan 8.180 nan 0.000 0.476 597 I N 1.609 122.234 120.570 0.090 0.000 2.567 597 I HA -0.239 3.935 4.170 0.007 0.000 0.257 597 I C 2.519 178.546 176.117 -0.150 0.000 1.184 597 I CA 1.917 63.112 61.300 -0.176 0.000 1.451 597 I CB -0.768 37.017 38.000 -0.358 0.000 1.089 597 I HN 0.150 nan 8.210 nan 0.000 0.441 598 E N 0.673 120.833 120.200 -0.066 0.000 2.001 598 E HA -0.312 4.043 4.350 0.007 0.000 0.195 598 E C 2.469 179.010 176.600 -0.099 0.000 1.002 598 E CA 1.369 57.740 56.400 -0.047 0.000 0.819 598 E CB -0.343 29.361 29.700 0.006 0.000 0.769 598 E HN 0.394 nan 8.360 nan 0.000 0.454 599 R N 0.671 121.085 120.500 -0.144 0.000 2.162 599 R HA -0.258 4.086 4.340 0.007 0.000 0.245 599 R C 2.329 178.491 176.300 -0.230 0.000 1.129 599 R CA 2.366 58.348 56.100 -0.197 0.000 0.940 599 R CB -0.310 29.815 30.300 -0.292 0.000 0.875 599 R HN 0.063 nan 8.270 nan 0.000 0.437 600 K N 0.065 120.265 120.400 -0.334 0.000 2.063 600 K HA -0.102 4.222 4.320 0.007 0.000 0.208 600 K C 2.139 178.619 176.600 -0.200 0.000 1.048 600 K CA 1.528 57.616 56.287 -0.332 0.000 0.928 600 K CB -0.304 31.928 32.500 -0.446 0.000 0.713 600 K HN 0.192 nan 8.250 nan 0.000 0.442 601 V N 1.844 121.653 119.914 -0.175 0.000 2.427 601 V HA -0.196 3.928 4.120 0.007 0.000 0.248 601 V C 1.548 177.586 176.094 -0.094 0.000 1.051 601 V CA 1.503 63.732 62.300 -0.118 0.000 1.048 601 V CB -0.558 31.190 31.823 -0.126 0.000 0.666 601 V HN 0.289 nan 8.190 nan 0.000 0.456 602 N N -0.028 118.640 118.700 -0.054 0.000 2.519 602 N HA -0.121 4.623 4.740 0.007 0.000 0.186 602 N C 1.656 177.152 175.510 -0.023 0.000 1.062 602 N CA 0.866 53.927 53.050 0.018 0.000 0.910 602 N CB -0.053 38.466 38.487 0.053 0.000 0.958 602 N HN 0.608 nan 8.380 nan 0.000 0.445 603 E N -1.805 118.350 120.200 -0.076 0.000 2.290 603 E HA -0.022 4.332 4.350 0.007 0.000 0.197 603 E C 0.942 177.505 176.600 -0.061 0.000 0.948 603 E CA 0.015 56.371 56.400 -0.073 0.000 0.895 603 E CB 0.074 29.710 29.700 -0.107 0.000 0.865 603 E HN 0.359 nan 8.360 nan 0.000 0.486 604 Y N 1.327 121.508 120.300 -0.199 0.000 2.206 604 Y HA -0.059 4.496 4.550 0.007 0.000 0.292 604 Y C 1.753 177.519 175.900 -0.223 0.000 1.123 604 Y CA 1.268 59.251 58.100 -0.195 0.000 1.142 604 Y CB -0.103 38.234 38.460 -0.205 0.000 1.006 604 Y HN -0.094 nan 8.280 nan 0.000 0.518 605 L N 0.148 121.045 121.223 -0.544 0.000 2.109 605 L HA -0.177 4.167 4.340 0.007 0.000 0.207 605 L C 2.354 178.858 176.870 -0.611 0.000 1.086 605 L CA 1.041 55.393 54.840 -0.812 0.000 0.760 605 L CB -0.684 40.614 42.059 -1.268 0.000 0.910 605 L HN 0.240 nan 8.230 nan 0.000 0.437 606 N N 0.074 118.542 118.700 -0.386 0.000 2.094 606 N HA -0.258 4.487 4.740 0.007 0.000 0.191 606 N C 1.772 177.256 175.510 -0.044 0.000 1.023 606 N CA 1.413 54.476 53.050 0.022 0.000 0.857 606 N CB -0.024 38.536 38.487 0.121 0.000 1.013 606 N HN 0.404 nan 8.380 nan 0.000 0.426 607 E N 0.486 120.610 120.200 -0.126 0.000 2.274 607 E HA -0.051 4.303 4.350 0.007 0.000 0.194 607 E C 1.673 178.189 176.600 -0.141 0.000 0.996 607 E CA 0.266 56.602 56.400 -0.107 0.000 0.840 607 E CB 0.386 30.030 29.700 -0.094 0.000 0.772 607 E HN 0.085 nan 8.360 nan 0.000 0.491 608 V N -0.294 119.472 119.914 -0.247 0.000 2.500 608 V HA -0.176 3.949 4.120 0.007 0.000 0.243 608 V C 2.075 178.112 176.094 -0.096 0.000 1.039 608 V CA 1.008 63.169 62.300 -0.231 0.000 1.053 608 V CB 0.131 31.688 31.823 -0.444 0.000 0.695 608 V HN 0.401 nan 8.190 nan 0.000 0.463 609 C N 0.408 119.675 119.300 -0.056 0.000 2.562 609 C HA 0.415 4.879 4.460 0.007 0.000 0.266 609 C C 2.154 177.170 174.990 0.042 0.000 1.382 609 C CA 0.435 59.478 59.018 0.041 0.000 1.742 609 C CB -0.803 27.042 27.740 0.174 0.000 1.812 609 C HN 0.853 nan 8.230 nan 0.000 0.559 610 G N 0.764 109.574 108.800 0.017 0.000 2.383 610 G HA2 -0.281 3.683 3.960 0.007 0.000 0.229 610 G HA3 -0.281 3.683 3.960 0.007 0.000 0.229 610 G C 0.482 175.401 174.900 0.032 0.000 1.089 610 G CA 0.527 45.637 45.100 0.016 0.000 0.640 610 G HN 0.669 nan 8.290 nan 0.000 0.510 611 T N 0.098 114.692 114.554 0.066 0.000 2.937 611 T HA 0.431 4.785 4.350 0.007 0.000 0.316 611 T C -0.025 174.716 174.700 0.069 0.000 1.079 611 T CA 0.852 62.993 62.100 0.070 0.000 1.131 611 T CB 1.279 70.203 68.868 0.092 0.000 1.000 611 T HN 0.530 nan 8.240 nan 0.000 0.549 612 E N 1.454 121.679 120.200 0.042 0.000 2.256 612 E HA 0.500 4.854 4.350 0.007 0.000 0.243 612 E C 0.852 177.469 176.600 0.030 0.000 0.925 612 E CA -0.698 55.721 56.400 0.032 0.000 0.748 612 E CB 0.729 30.437 29.700 0.014 0.000 1.206 612 E HN 1.066 nan 8.360 nan 0.000 0.428 613 G N 2.305 111.134 108.800 0.048 0.000 2.260 613 G HA2 -0.190 3.774 3.960 0.007 0.000 0.179 613 G HA3 -0.190 3.774 3.960 0.007 0.000 0.179 613 G C 0.189 175.109 174.900 0.033 0.000 1.002 613 G CA -0.704 44.417 45.100 0.035 0.000 0.677 613 G HN 0.344 nan 8.290 nan 0.000 0.486 614 E N 0.755 120.971 120.200 0.027 0.000 2.442 614 E HA 0.442 4.797 4.350 0.007 0.000 0.262 614 E C 0.612 177.175 176.600 -0.062 0.000 1.004 614 E CA 0.702 57.046 56.400 -0.093 0.000 0.928 614 E CB 1.141 30.669 29.700 -0.288 0.000 0.937 614 E HN 0.796 nan 8.360 nan 0.000 0.446 615 A N 4.339 127.093 122.820 -0.111 0.000 2.650 615 A HA 0.265 4.589 4.320 0.007 0.000 0.320 615 A C 0.449 177.996 177.584 -0.063 0.000 1.466 615 A CA -0.399 51.625 52.037 -0.021 0.000 1.099 615 A CB -0.467 18.532 19.000 -0.003 0.000 1.136 615 A HN 0.548 nan 8.150 nan 0.000 0.532 616 F N 2.008 121.968 119.950 0.016 0.000 2.187 616 F HA -0.015 4.517 4.527 0.007 0.000 0.295 616 F C 1.200 177.007 175.800 0.012 0.000 1.091 616 F CA 1.138 59.154 58.000 0.026 0.000 1.308 616 F CB 0.184 39.201 39.000 0.028 0.000 1.030 616 F HN 0.270 nan 8.300 nan 0.000 0.487 617 V N 3.248 123.274 119.914 0.185 0.000 2.372 617 V HA 0.029 4.153 4.120 0.007 0.000 0.261 617 V C 0.906 176.990 176.094 -0.017 0.000 1.055 617 V CA -0.181 62.167 62.300 0.080 0.000 0.930 617 V CB 0.682 32.549 31.823 0.075 0.000 1.031 617 V HN 0.239 nan 8.190 nan 0.000 0.479 618 L N 3.701 124.833 121.223 -0.151 0.000 2.307 618 L HA 0.423 4.767 4.340 0.007 0.000 0.211 618 L C 0.425 177.090 176.870 -0.342 0.000 1.099 618 L CA 0.868 55.511 54.840 -0.328 0.000 0.816 618 L CB -0.177 41.423 42.059 -0.765 0.000 0.952 618 L HN 0.513 nan 8.230 nan 0.000 0.455 619 Y N -0.146 119.881 120.300 -0.455 0.000 2.624 619 Y HA 0.702 5.256 4.550 0.007 0.000 0.334 619 Y C -0.866 175.010 175.900 -0.041 0.000 1.155 619 Y CA -0.850 57.026 58.100 -0.373 0.000 1.046 619 Y CB 1.770 39.730 38.460 -0.834 0.000 1.316 619 Y HN -0.012 nan 8.280 nan 0.000 0.457 620 G N 2.853 111.174 108.800 -0.797 0.000 2.750 620 G HA2 0.425 4.389 3.960 0.007 0.000 0.298 620 G HA3 0.425 4.389 3.960 0.007 0.000 0.298 620 G C -2.648 171.851 174.900 -0.669 0.000 1.412 620 G CA -0.701 44.094 45.100 -0.508 0.000 1.078 620 G HN 0.529 nan 8.290 nan 0.000 0.573 621 D N 1.483 121.653 120.400 -0.382 0.000 2.469 621 D HA 0.530 5.174 4.640 0.007 0.000 0.251 621 D C 1.263 177.553 176.300 -0.016 0.000 1.173 621 D CA 0.580 54.466 54.000 -0.190 0.000 0.882 621 D CB 1.192 41.973 40.800 -0.032 0.000 1.129 621 D HN 0.477 nan 8.370 nan 0.000 0.549 622 T N 2.626 117.192 114.554 0.021 0.000 12.971 622 T HA -0.313 4.042 4.350 0.007 0.000 0.419 622 T C 0.797 175.552 174.700 0.091 0.000 1.442 622 T CA 2.037 64.173 62.100 0.060 0.000 2.370 622 T CB -1.118 67.727 68.868 -0.038 0.000 2.822 622 T HN 0.664 nan 8.240 nan 0.000 0.691 623 D N 1.358 121.794 120.400 0.060 0.000 2.514 623 D HA 0.247 4.891 4.640 0.007 0.000 0.225 623 D C 0.514 176.883 176.300 0.114 0.000 1.159 623 D CA 0.666 54.722 54.000 0.092 0.000 0.823 623 D CB -0.076 40.751 40.800 0.045 0.000 1.097 623 D HN 0.712 nan 8.370 nan 0.000 0.519 624 S N 0.802 116.561 115.700 0.098 0.000 2.608 624 S HA 0.724 5.198 4.470 0.007 0.000 0.291 624 S C 0.241 174.891 174.600 0.084 0.000 1.146 624 S CA -0.894 57.366 58.200 0.101 0.000 1.043 624 S CB 1.529 64.822 63.200 0.156 0.000 1.037 624 S HN 0.341 nan 8.310 nan 0.000 0.520 625 I N -1.008 119.590 120.570 0.045 0.000 2.582 625 I HA 0.620 4.794 4.170 0.007 0.000 0.292 625 I C -1.944 174.143 176.117 -0.049 0.000 1.066 625 I CA -1.253 60.083 61.300 0.060 0.000 1.053 625 I CB 1.504 39.548 38.000 0.074 0.000 1.241 625 I HN 0.578 nan 8.210 nan 0.000 0.421 626 Y N 4.448 124.767 120.300 0.032 0.000 2.328 626 Y HA 0.645 5.199 4.550 0.007 0.000 0.337 626 Y C -0.203 175.686 175.900 -0.018 0.000 0.966 626 Y CA -0.809 57.306 58.100 0.026 0.000 1.136 626 Y CB 2.160 40.582 38.460 -0.064 0.000 1.170 626 Y HN 0.338 nan 8.280 nan 0.000 0.470 627 V N 2.338 122.363 119.914 0.184 0.000 2.459 627 V HA 0.325 4.449 4.120 0.007 0.000 0.295 627 V C -0.068 176.157 176.094 0.217 0.000 1.029 627 V CA -0.926 61.495 62.300 0.201 0.000 0.874 627 V CB 1.893 33.871 31.823 0.257 0.000 0.985 627 V HN 0.749 nan 8.190 nan 0.000 0.438 628 S N 3.139 118.961 115.700 0.205 0.000 2.411 628 S HA 0.423 4.898 4.470 0.007 0.000 0.304 628 S C 1.095 175.850 174.600 0.258 0.000 1.098 628 S CA 0.015 58.347 58.200 0.220 0.000 1.068 628 S CB 0.650 63.958 63.200 0.180 0.000 1.032 628 S HN 0.980 nan 8.310 nan 0.000 0.511 629 A N 4.124 127.105 122.820 0.270 0.000 2.235 629 A HA 0.085 4.410 4.320 0.007 0.000 0.208 629 A C 1.456 179.121 177.584 0.136 0.000 1.172 629 A CA 0.510 52.681 52.037 0.222 0.000 0.786 629 A CB -0.333 18.802 19.000 0.224 0.000 0.804 629 A HN 0.744 nan 8.150 nan 0.000 0.479 630 D N 0.852 121.344 120.400 0.154 0.000 2.106 630 D HA -0.183 4.462 4.640 0.007 0.000 0.191 630 D C 1.778 178.093 176.300 0.026 0.000 0.997 630 D CA 1.744 55.801 54.000 0.094 0.000 0.834 630 D CB -0.143 40.724 40.800 0.112 0.000 0.956 630 D HN 0.412 nan 8.370 nan 0.000 0.448 631 K N 0.103 120.529 120.400 0.044 0.000 2.152 631 K HA -0.043 4.281 4.320 0.007 0.000 0.206 631 K C 2.081 178.715 176.600 0.057 0.000 1.048 631 K CA 0.599 56.912 56.287 0.044 0.000 0.933 631 K CB -0.125 32.408 32.500 0.054 0.000 0.721 631 K HN 0.242 nan 8.250 nan 0.000 0.447 632 I N 0.051 120.664 120.570 0.071 0.000 2.133 632 I HA -0.259 3.916 4.170 0.007 0.000 0.238 632 I C 1.932 178.051 176.117 0.003 0.000 1.074 632 I CA 1.094 62.407 61.300 0.021 0.000 1.342 632 I CB -0.218 37.758 38.000 -0.040 0.000 1.053 632 I HN 0.022 nan 8.210 nan 0.000 0.404 633 I N 0.927 121.453 120.570 -0.073 0.000 2.179 633 I HA -0.325 3.849 4.170 0.007 0.000 0.242 633 I C 2.111 178.169 176.117 -0.098 0.000 1.088 633 I CA 1.682 62.886 61.300 -0.160 0.000 1.357 633 I CB -0.594 37.033 38.000 -0.622 0.000 1.051 633 I HN 0.208 nan 8.210 nan 0.000 0.409 634 D N 0.517 120.860 120.400 -0.095 0.000 2.158 634 D HA -0.208 4.436 4.640 0.007 0.000 0.197 634 D C 2.139 178.422 176.300 -0.028 0.000 0.995 634 D CA 0.980 54.950 54.000 -0.049 0.000 0.846 634 D CB -0.200 40.582 40.800 -0.030 0.000 0.941 634 D HN 0.179 nan 8.370 nan 0.000 0.456 635 K N 0.460 120.851 120.400 -0.014 0.000 2.147 635 K HA -0.055 4.269 4.320 0.007 0.000 0.205 635 K C 2.040 178.625 176.600 -0.024 0.000 1.049 635 K CA 0.345 56.628 56.287 -0.006 0.000 0.936 635 K CB -0.272 32.237 32.500 0.016 0.000 0.722 635 K HN 0.136 nan 8.250 nan 0.000 0.446 636 V N -0.895 118.995 119.914 -0.040 0.000 2.992 636 V HA 0.147 4.271 4.120 0.007 0.000 0.250 636 V C 0.678 176.699 176.094 -0.123 0.000 1.090 636 V CA 0.570 62.807 62.300 -0.105 0.000 1.101 636 V CB -0.293 31.412 31.823 -0.197 0.000 0.743 636 V HN 0.453 nan 8.190 nan 0.000 0.468 637 G N 1.963 110.728 108.800 -0.057 0.000 3.405 637 G HA2 -0.152 3.813 3.960 0.007 0.000 0.676 637 G HA3 -0.152 3.813 3.960 0.007 0.000 0.676 637 G C 0.338 175.248 174.900 0.017 0.000 1.039 637 G CA 0.141 45.216 45.100 -0.042 0.000 0.855 637 G HN 0.629 nan 8.290 nan 0.000 0.443 638 E N 1.001 121.244 120.200 0.072 0.000 2.273 638 E HA -0.184 4.171 4.350 0.007 0.000 0.198 638 E C 2.092 178.780 176.600 0.147 0.000 1.002 638 E CA 1.541 58.039 56.400 0.163 0.000 0.828 638 E CB -0.216 29.490 29.700 0.010 0.000 0.747 638 E HN 0.902 nan 8.360 nan 0.000 0.491 639 S N 0.009 115.727 115.700 0.031 0.000 2.723 639 S HA 0.019 4.494 4.470 0.007 0.000 0.231 639 S C 1.203 175.761 174.600 -0.069 0.000 0.967 639 S CA 0.356 58.553 58.200 -0.006 0.000 0.958 639 S CB 0.049 63.234 63.200 -0.025 0.000 0.778 639 S HN 0.208 nan 8.310 nan 0.000 0.537 640 K N 0.750 121.061 120.400 -0.149 0.000 2.218 640 K HA 0.267 4.591 4.320 0.007 0.000 0.222 640 K C -0.277 176.127 176.600 -0.328 0.000 1.030 640 K CA -0.220 55.841 56.287 -0.376 0.000 0.946 640 K CB -0.237 31.799 32.500 -0.773 0.000 1.000 640 K HN 0.385 nan 8.250 nan 0.000 0.461 641 F N 3.583 123.398 119.950 -0.225 0.000 2.500 641 F HA -0.168 4.363 4.527 0.007 0.000 0.409 641 F C 1.733 177.475 175.800 -0.097 0.000 0.982 641 F CA 0.228 58.085 58.000 -0.239 0.000 1.163 641 F CB 0.002 39.020 39.000 0.030 0.000 0.942 641 F HN 0.273 nan 8.300 nan 0.000 0.535 642 R N 1.223 121.736 120.500 0.020 0.000 2.075 642 R HA -0.040 4.305 4.340 0.007 0.000 0.232 642 R C -0.362 176.019 176.300 0.135 0.000 1.126 642 R CA 1.501 57.650 56.100 0.081 0.000 0.963 642 R CB -0.554 29.799 30.300 0.088 0.000 0.858 642 R HN 0.721 nan 8.270 nan 0.000 0.435 643 D N -1.846 118.662 120.400 0.179 0.000 2.636 643 D HA 0.201 4.845 4.640 0.007 0.000 0.275 643 D C 0.133 176.465 176.300 0.053 0.000 1.130 643 D CA -0.740 53.322 54.000 0.104 0.000 1.031 643 D CB 1.037 41.862 40.800 0.040 0.000 1.451 643 D HN -0.197 nan 8.370 nan 0.000 0.505 644 T N -0.632 113.848 114.554 -0.124 0.000 2.720 644 T HA -0.170 4.184 4.350 0.007 0.000 0.268 644 T C 1.452 175.525 174.700 -1.045 0.000 1.037 644 T CA 1.585 63.382 62.100 -0.505 0.000 1.144 644 T CB -0.482 67.971 68.868 -0.692 0.000 0.864 644 T HN 0.407 nan 8.240 nan 0.000 0.444 645 N N 0.551 118.894 118.700 -0.596 0.000 2.149 645 N HA -0.138 4.606 4.740 0.007 0.000 0.188 645 N C 1.740 177.055 175.510 -0.325 0.000 1.019 645 N CA 0.965 53.724 53.050 -0.484 0.000 0.857 645 N CB -0.498 37.835 38.487 -0.257 0.000 0.997 645 N HN 0.404 nan 8.380 nan 0.000 0.426 646 H N 0.041 118.997 119.070 -0.190 0.000 2.387 646 H HA -0.144 4.416 4.556 0.007 0.000 0.299 646 H C 1.742 177.215 175.328 0.242 0.000 1.099 646 H CA 1.725 57.817 56.048 0.073 0.000 1.315 646 H CB -0.299 29.580 29.762 0.195 0.000 1.380 646 H HN 0.562 nan 8.280 nan 0.000 0.513 647 W N 0.196 121.608 121.300 0.187 0.000 2.658 647 W HA 0.056 4.720 4.660 0.007 0.000 0.263 647 W C 1.476 178.054 176.519 0.098 0.000 1.274 647 W CA 0.720 57.988 57.345 -0.128 0.000 1.343 647 W CB -0.871 27.974 29.460 -1.024 0.000 1.106 647 W HN -0.104 nan 8.180 nan 0.000 0.615 648 V N 2.146 121.803 119.914 -0.428 0.000 2.270 648 V HA -0.285 3.839 4.120 0.007 0.000 0.245 648 V C 2.282 178.375 176.094 -0.002 0.000 1.043 648 V CA 2.423 64.545 62.300 -0.296 0.000 1.014 648 V CB -1.110 30.374 31.823 -0.564 0.000 0.645 648 V HN -0.067 nan 8.190 nan 0.000 0.447 649 D N -0.104 120.291 120.400 -0.009 0.000 2.133 649 D HA -0.233 4.411 4.640 0.007 0.000 0.192 649 D C 1.881 178.302 176.300 0.202 0.000 1.001 649 D CA 1.652 55.691 54.000 0.066 0.000 0.844 649 D CB -0.395 40.418 40.800 0.022 0.000 0.944 649 D HN 0.424 nan 8.370 nan 0.000 0.447 650 F N 1.095 121.157 119.950 0.186 0.000 2.065 650 F HA -0.192 4.340 4.527 0.007 0.000 0.298 650 F C 2.095 178.057 175.800 0.270 0.000 1.112 650 F CA 1.414 59.581 58.000 0.278 0.000 1.212 650 F CB -0.522 38.735 39.000 0.428 0.000 0.975 650 F HN -0.052 nan 8.300 nan 0.000 0.476 651 L N -0.379 120.859 121.223 0.024 0.000 2.240 651 L HA -0.087 4.257 4.340 0.007 0.000 0.211 651 L C 2.110 179.035 176.870 0.092 0.000 1.106 651 L CA 1.235 56.044 54.840 -0.052 0.000 0.793 651 L CB -0.762 41.391 42.059 0.157 0.000 0.927 651 L HN 0.138 nan 8.230 nan 0.000 0.446 652 D N 0.648 121.101 120.400 0.088 0.000 2.084 652 D HA -0.191 4.454 4.640 0.007 0.000 0.196 652 D C 2.134 178.478 176.300 0.073 0.000 0.985 652 D CA 1.375 55.417 54.000 0.069 0.000 0.826 652 D CB 0.142 40.965 40.800 0.037 0.000 0.978 652 D HN 0.011 nan 8.370 nan 0.000 0.456 653 K N -1.030 119.416 120.400 0.077 0.000 2.211 653 K HA -0.151 4.174 4.320 0.007 0.000 0.204 653 K C 1.972 178.623 176.600 0.084 0.000 1.047 653 K CA 0.647 56.984 56.287 0.082 0.000 0.935 653 K CB -0.245 32.325 32.500 0.116 0.000 0.728 653 K HN 0.200 nan 8.250 nan 0.000 0.452 654 F N 1.190 121.071 119.950 -0.114 0.000 2.098 654 F HA -0.115 4.416 4.527 0.007 0.000 0.294 654 F C 2.213 178.013 175.800 -0.000 0.000 1.107 654 F CA 1.330 59.249 58.000 -0.134 0.000 1.234 654 F CB -0.521 38.266 39.000 -0.356 0.000 1.002 654 F HN -0.050 nan 8.300 nan 0.000 0.472 655 A N 0.785 123.668 122.820 0.105 0.000 1.908 655 A HA -0.192 4.132 4.320 0.007 0.000 0.218 655 A C 2.387 180.008 177.584 0.063 0.000 1.181 655 A CA 1.768 53.897 52.037 0.153 0.000 0.627 655 A CB -0.718 18.484 19.000 0.336 0.000 0.818 655 A HN 0.437 nan 8.150 nan 0.000 0.445 656 R N -0.549 119.977 120.500 0.043 0.000 2.075 656 R HA -0.112 4.232 4.340 0.007 0.000 0.230 656 R C 2.022 178.311 176.300 -0.018 0.000 1.140 656 R CA 1.758 57.877 56.100 0.031 0.000 0.928 656 R CB -0.402 29.917 30.300 0.033 0.000 0.834 656 R HN 0.668 nan 8.270 nan 0.000 0.429 657 E N -0.633 119.540 120.200 -0.044 0.000 2.371 657 E HA -0.070 4.284 4.350 0.007 0.000 0.194 657 E C 1.754 178.289 176.600 -0.107 0.000 1.012 657 E CA 0.552 56.922 56.400 -0.049 0.000 0.860 657 E CB 0.313 30.006 29.700 -0.010 0.000 0.811 657 E HN 0.077 nan 8.360 nan 0.000 0.502 658 R N -0.773 119.591 120.500 -0.226 0.000 2.320 658 R HA 0.281 4.625 4.340 0.007 0.000 0.193 658 R C 1.953 178.064 176.300 -0.316 0.000 0.885 658 R CA 0.363 56.288 56.100 -0.292 0.000 1.085 658 R CB 0.330 30.323 30.300 -0.512 0.000 1.253 658 R HN 0.003 nan 8.270 nan 0.000 0.636 659 M N -0.152 119.227 119.600 -0.369 0.000 2.191 659 M HA 0.005 4.489 4.480 0.007 0.000 0.262 659 M C 1.538 177.649 176.300 -0.315 0.000 1.083 659 M CA 1.658 56.768 55.300 -0.316 0.000 1.154 659 M CB -0.120 32.346 32.600 -0.224 0.000 1.344 659 M HN 0.073 nan 8.290 nan 0.000 0.431 660 E N 0.046 120.143 120.200 -0.172 0.000 2.110 660 E HA -0.170 4.184 4.350 0.007 0.000 0.193 660 E C -0.868 175.665 176.600 -0.112 0.000 0.988 660 E CA 1.174 57.515 56.400 -0.098 0.000 0.804 660 E CB -0.988 28.748 29.700 0.060 0.000 0.745 660 E HN 0.370 nan 8.360 nan 0.000 0.458 661 P HA -0.186 nan 4.420 nan 0.000 0.215 661 P C 1.026 178.193 177.300 -0.221 0.000 1.153 661 P CA 1.785 64.805 63.100 -0.132 0.000 0.853 661 P CB 0.023 31.650 31.700 -0.122 0.000 0.788 662 A N -1.116 121.469 122.820 -0.392 0.000 1.969 662 A HA -0.128 4.196 4.320 0.007 0.000 0.218 662 A C 2.192 179.494 177.584 -0.470 0.000 1.169 662 A CA 1.195 52.867 52.037 -0.610 0.000 0.635 662 A CB -1.498 16.652 19.000 -1.417 0.000 0.810 662 A HN 0.121 nan 8.150 nan 0.000 0.445 663 I N -0.751 119.595 120.570 -0.373 0.000 2.286 663 I HA -0.182 3.992 4.170 0.007 0.000 0.245 663 I C 2.178 178.230 176.117 -0.109 0.000 1.104 663 I CA 1.446 62.588 61.300 -0.263 0.000 1.397 663 I CB -0.301 37.566 38.000 -0.222 0.000 1.072 663 I HN 0.260 nan 8.210 nan 0.000 0.417 664 D N 1.181 121.544 120.400 -0.062 0.000 2.106 664 D HA -0.251 4.393 4.640 0.007 0.000 0.191 664 D C 2.292 178.562 176.300 -0.051 0.000 0.997 664 D CA 1.503 55.511 54.000 0.012 0.000 0.834 664 D CB -0.050 40.754 40.800 0.005 0.000 0.956 664 D HN 0.272 nan 8.370 nan 0.000 0.448 665 R N -0.321 120.118 120.500 -0.101 0.000 2.189 665 R HA 0.056 4.400 4.340 0.007 0.000 0.218 665 R C 2.208 178.461 176.300 -0.078 0.000 1.074 665 R CA 1.311 57.348 56.100 -0.105 0.000 0.991 665 R CB -0.607 29.630 30.300 -0.105 0.000 0.883 665 R HN 0.168 nan 8.270 nan 0.000 0.457 666 G N 1.029 109.767 108.800 -0.103 0.000 2.433 666 G HA2 -0.242 3.723 3.960 0.007 0.000 0.216 666 G HA3 -0.242 3.723 3.960 0.007 0.000 0.216 666 G C 0.929 175.884 174.900 0.092 0.000 1.186 666 G CA 0.453 45.511 45.100 -0.070 0.000 0.779 666 G HN 0.266 nan 8.290 nan 0.000 0.543 667 F N 0.600 120.581 119.950 0.053 0.000 2.325 667 F HA 0.192 4.723 4.527 0.007 0.000 0.299 667 F C 2.656 178.336 175.800 -0.200 0.000 1.090 667 F CA 0.614 58.609 58.000 -0.009 0.000 1.392 667 F CB -0.185 38.847 39.000 0.054 0.000 1.053 667 F HN 0.022 nan 8.300 nan 0.000 0.521 668 R N 0.438 120.840 120.500 -0.163 0.000 2.096 668 R HA -0.188 4.156 4.340 0.007 0.000 0.235 668 R C 2.236 178.459 176.300 -0.128 0.000 1.127 668 R CA 1.640 57.520 56.100 -0.367 0.000 0.968 668 R CB -0.298 29.807 30.300 -0.325 0.000 0.861 668 R HN 0.317 nan 8.270 nan 0.000 0.440 669 E N -0.048 120.157 120.200 0.009 0.000 2.077 669 E HA -0.253 4.102 4.350 0.007 0.000 0.193 669 E C 1.945 178.590 176.600 0.075 0.000 0.989 669 E CA 1.359 57.825 56.400 0.111 0.000 0.800 669 E CB -0.024 29.840 29.700 0.273 0.000 0.746 669 E HN 0.337 nan 8.360 nan 0.000 0.452 670 M N 0.193 119.714 119.600 -0.132 0.000 2.175 670 M HA -0.149 4.335 4.480 0.007 0.000 0.264 670 M C 2.534 178.695 176.300 -0.231 0.000 1.063 670 M CA 1.120 56.064 55.300 -0.592 0.000 1.119 670 M CB -0.320 31.532 32.600 -1.247 0.000 1.377 670 M HN 0.409 nan 8.290 nan 0.000 0.415 671 C N 1.250 120.491 119.300 -0.098 0.000 2.413 671 C HA -0.192 4.272 4.460 0.007 0.000 0.277 671 C C 2.302 177.288 174.990 -0.006 0.000 1.228 671 C CA 1.692 60.703 59.018 -0.012 0.000 1.731 671 C CB -1.081 26.663 27.740 0.006 0.000 2.042 671 C HN 0.599 nan 8.230 nan 0.000 0.468 672 E N -1.334 118.865 120.200 -0.003 0.000 2.118 672 E HA -0.224 4.130 4.350 0.007 0.000 0.195 672 E C 2.007 178.663 176.600 0.094 0.000 0.992 672 E CA 1.566 57.983 56.400 0.029 0.000 0.804 672 E CB -0.435 29.279 29.700 0.022 0.000 0.741 672 E HN 0.828 nan 8.360 nan 0.000 0.458 673 Y N 0.532 120.792 120.300 -0.067 0.000 2.145 673 Y HA -0.140 4.414 4.550 0.007 0.000 0.286 673 Y C 1.799 177.660 175.900 -0.065 0.000 1.145 673 Y CA 1.242 59.311 58.100 -0.051 0.000 1.148 673 Y CB 0.027 38.442 38.460 -0.074 0.000 0.981 673 Y HN -0.015 nan 8.280 nan 0.000 0.507 674 M N 0.556 120.102 119.600 -0.089 0.000 2.494 674 M HA 0.045 4.529 4.480 0.007 0.000 0.232 674 M C 0.549 176.817 176.300 -0.052 0.000 1.137 674 M CA 0.316 55.523 55.300 -0.154 0.000 1.012 674 M CB -1.382 31.159 32.600 -0.097 0.000 1.567 674 M HN 0.276 nan 8.290 nan 0.000 0.486 675 N N 2.633 121.321 118.700 -0.019 0.000 2.701 675 N HA -0.222 4.522 4.740 0.007 0.000 0.250 675 N C -0.723 174.786 175.510 -0.001 0.000 1.046 675 N CA 0.425 53.469 53.050 -0.010 0.000 0.733 675 N CB -1.271 37.201 38.487 -0.025 0.000 0.973 675 N HN 0.548 nan 8.380 nan 0.000 0.541 676 N N 0.132 118.831 118.700 -0.001 0.000 2.371 676 N HA 0.022 4.766 4.740 0.007 0.000 0.243 676 N C 1.271 176.770 175.510 -0.019 0.000 1.287 676 N CA -0.174 52.862 53.050 -0.022 0.000 0.911 676 N CB 0.606 39.068 38.487 -0.042 0.000 1.142 676 N HN 0.216 nan 8.380 nan 0.000 0.451 677 K N 0.186 120.562 120.400 -0.039 0.000 2.001 677 K HA -0.154 4.171 4.320 0.007 0.000 0.208 677 K C 0.152 176.743 176.600 -0.015 0.000 1.048 677 K CA 1.383 57.658 56.287 -0.020 0.000 0.932 677 K CB 0.137 32.618 32.500 -0.031 0.000 0.715 677 K HN 0.697 nan 8.250 nan 0.000 0.437 678 Q N -1.037 118.745 119.800 -0.031 0.000 2.418 678 Q HA 0.139 4.483 4.340 0.007 0.000 0.282 678 Q C -1.459 174.538 176.000 -0.004 0.000 1.044 678 Q CA -0.989 54.812 55.803 -0.003 0.000 0.813 678 Q CB 1.225 29.960 28.738 -0.004 0.000 1.428 678 Q HN 0.130 nan 8.270 nan 0.000 0.402 679 H N 2.813 121.840 119.070 -0.073 0.000 2.864 679 H HA 0.334 4.895 4.556 0.007 0.000 0.281 679 H C -0.830 174.394 175.328 -0.173 0.000 1.093 679 H CA -0.038 55.930 56.048 -0.133 0.000 1.453 679 H CB 0.300 29.983 29.762 -0.132 0.000 1.462 679 H HN 0.664 nan 8.280 nan 0.000 0.480 680 L N 5.505 126.377 121.223 -0.586 0.000 3.366 680 L HA 0.224 4.568 4.340 0.007 0.000 0.304 680 L C -0.576 175.957 176.870 -0.562 0.000 1.292 680 L CA -0.223 54.341 54.840 -0.460 0.000 1.012 680 L CB 0.254 42.223 42.059 -0.151 0.000 1.414 680 L HN 0.592 nan 8.230 nan 0.000 0.603 681 M N 1.192 120.230 119.600 -0.936 0.000 2.135 681 M HA 0.311 4.795 4.480 0.007 0.000 0.345 681 M C -0.987 174.769 176.300 -0.906 0.000 1.340 681 M CA 0.355 55.141 55.300 -0.857 0.000 1.162 681 M CB -0.184 31.715 32.600 -1.168 0.000 1.570 681 M HN -0.037 nan 8.290 nan 0.000 0.454 682 F N 3.454 123.212 119.950 -0.320 0.000 2.434 682 F HA 0.485 5.016 4.527 0.007 0.000 0.355 682 F C 0.095 175.886 175.800 -0.014 0.000 1.115 682 F CA -0.464 57.464 58.000 -0.120 0.000 1.010 682 F CB 1.372 40.313 39.000 -0.099 0.000 1.234 682 F HN 0.474 nan 8.300 nan 0.000 0.439 683 M N 4.354 124.094 119.600 0.233 0.000 2.113 683 M HA 0.339 4.823 4.480 0.007 0.000 0.352 683 M C -1.262 175.264 176.300 0.378 0.000 1.170 683 M CA -0.150 55.330 55.300 0.300 0.000 1.053 683 M CB 0.454 33.263 32.600 0.348 0.000 1.601 683 M HN 0.392 nan 8.290 nan 0.000 0.459 684 D N 3.949 124.547 120.400 0.329 0.000 2.350 684 D HA 0.261 4.905 4.640 0.007 0.000 0.245 684 D C -0.734 175.590 176.300 0.040 0.000 1.036 684 D CA -0.519 53.621 54.000 0.233 0.000 0.848 684 D CB 1.760 42.628 40.800 0.113 0.000 1.307 684 D HN 0.545 nan 8.370 nan 0.000 0.469 685 R N 2.028 122.386 120.500 -0.237 0.000 2.370 685 R HA 0.008 4.352 4.340 0.007 0.000 0.309 685 R C 0.350 176.424 176.300 -0.376 0.000 1.059 685 R CA 0.145 55.758 56.100 -0.811 0.000 0.981 685 R CB 0.612 30.464 30.300 -0.747 0.000 0.972 685 R HN 0.426 nan 8.270 nan 0.000 0.437 686 E N 3.098 123.088 120.200 -0.349 0.000 2.430 686 E HA 0.135 4.490 4.350 0.007 0.000 0.253 686 E C -0.162 176.378 176.600 -0.099 0.000 0.903 686 E CA 0.198 56.505 56.400 -0.156 0.000 1.082 686 E CB -0.511 29.136 29.700 -0.089 0.000 1.751 686 E HN 0.656 nan 8.360 nan 0.000 0.530 687 A N 1.761 124.553 122.820 -0.046 0.000 2.320 687 A HA 0.485 4.810 4.320 0.007 0.000 0.287 687 A C -0.041 177.587 177.584 0.074 0.000 1.181 687 A CA -0.209 51.862 52.037 0.058 0.000 0.831 687 A CB -0.293 18.795 19.000 0.147 0.000 1.102 687 A HN 0.232 nan 8.150 nan 0.000 0.513 688 I N 2.571 123.224 120.570 0.137 0.000 2.328 688 I HA 0.492 4.667 4.170 0.007 0.000 0.287 688 I C 0.461 176.803 176.117 0.376 0.000 1.012 688 I CA 0.140 61.591 61.300 0.251 0.000 1.195 688 I CB 1.450 39.593 38.000 0.238 0.000 1.350 688 I HN 0.670 nan 8.210 nan 0.000 0.464 689 A N 4.884 127.948 122.820 0.407 0.000 2.356 689 A HA 0.960 5.284 4.320 0.007 0.000 0.310 689 A C -0.224 177.636 177.584 0.460 0.000 1.075 689 A CA -0.436 51.821 52.037 0.368 0.000 0.746 689 A CB 1.554 20.686 19.000 0.220 0.000 1.221 689 A HN 0.784 nan 8.150 nan 0.000 0.443 690 G N 1.175 110.316 108.800 0.568 0.000 2.645 690 G HA2 0.793 4.757 3.960 0.007 0.000 0.292 690 G HA3 0.793 4.757 3.960 0.007 0.000 0.292 690 G C -3.438 171.704 174.900 0.403 0.000 1.415 690 G CA -1.154 44.119 45.100 0.288 0.000 0.785 690 G HN 0.525 nan 8.290 nan 0.000 0.483 691 P HA 0.410 nan 4.420 nan 0.000 0.278 691 P C -2.749 174.869 177.300 0.530 0.000 1.258 691 P CA -1.552 61.683 63.100 0.225 0.000 0.811 691 P CB 0.809 32.516 31.700 0.013 0.000 1.063 692 P HA 0.050 nan 4.420 nan 0.000 0.269 692 P C -0.064 177.415 177.300 0.297 0.000 1.217 692 P CA 0.006 63.411 63.100 0.508 0.000 0.783 692 P CB 0.159 32.094 31.700 0.392 0.000 0.898 693 L N 2.067 123.455 121.223 0.274 0.000 2.456 693 L HA 0.359 4.704 4.340 0.007 0.000 0.272 693 L C 1.332 178.288 176.870 0.143 0.000 1.189 693 L CA 1.242 56.215 54.840 0.221 0.000 0.846 693 L CB -0.841 41.383 42.059 0.274 0.000 1.111 693 L HN 0.734 nan 8.230 nan 0.000 0.475 694 G N 2.546 111.409 108.800 0.106 0.000 2.225 694 G HA2 -0.239 3.725 3.960 0.007 0.000 0.267 694 G HA3 -0.239 3.725 3.960 0.007 0.000 0.267 694 G C 0.029 174.974 174.900 0.075 0.000 1.024 694 G CA 0.518 45.666 45.100 0.081 0.000 0.784 694 G HN 1.237 nan 8.290 nan 0.000 0.507 695 S N -1.384 114.364 115.700 0.080 0.000 2.571 695 S HA 0.669 5.143 4.470 0.007 0.000 0.284 695 S C -0.320 174.316 174.600 0.061 0.000 1.128 695 S CA -0.955 57.290 58.200 0.075 0.000 0.970 695 S CB 1.947 65.206 63.200 0.097 0.000 1.039 695 S HN 0.356 nan 8.310 nan 0.000 0.485 696 K N 1.820 122.249 120.400 0.049 0.000 2.395 696 K HA 0.473 4.797 4.320 0.007 0.000 0.283 696 K C 0.291 176.917 176.600 0.044 0.000 1.068 696 K CA 0.433 56.743 56.287 0.039 0.000 1.039 696 K CB 0.120 32.639 32.500 0.032 0.000 0.924 696 K HN 0.895 nan 8.250 nan 0.000 0.468 697 G N 2.240 111.063 108.800 0.040 0.000 2.657 697 G HA2 0.196 4.160 3.960 0.007 0.000 0.303 697 G HA3 0.196 4.160 3.960 0.007 0.000 0.303 697 G C 0.253 175.174 174.900 0.034 0.000 1.457 697 G CA -0.882 44.245 45.100 0.045 0.000 0.982 697 G HN 0.599 nan 8.290 nan 0.000 0.583 698 I N 0.531 121.129 120.570 0.046 0.000 2.617 698 I HA 0.409 4.583 4.170 0.007 0.000 0.256 698 I C 1.813 177.967 176.117 0.062 0.000 1.167 698 I CA 1.341 62.674 61.300 0.054 0.000 1.469 698 I CB 0.213 38.260 38.000 0.077 0.000 1.098 698 I HN 1.346 nan 8.210 nan 0.000 0.436 699 G N 0.936 109.773 108.800 0.062 0.000 3.206 699 G HA2 -0.144 3.820 3.960 0.007 0.000 0.217 699 G HA3 -0.144 3.820 3.960 0.007 0.000 0.217 699 G C 0.493 175.444 174.900 0.086 0.000 1.350 699 G CA -0.064 45.067 45.100 0.052 0.000 0.836 699 G HN 1.179 nan 8.290 nan 0.000 0.548 700 G N -0.995 107.906 108.800 0.169 0.000 2.608 700 G HA2 0.889 4.853 3.960 0.007 0.000 0.291 700 G HA3 0.889 4.853 3.960 0.007 0.000 0.291 700 G C -1.052 174.066 174.900 0.362 0.000 1.425 700 G CA 0.069 45.263 45.100 0.156 0.000 0.787 700 G HN 1.776 nan 8.290 nan 0.000 0.484 701 F N -2.692 117.363 119.950 0.175 0.000 2.703 701 F HA 0.769 5.301 4.527 0.007 0.000 0.308 701 F C -1.956 173.972 175.800 0.214 0.000 1.126 701 F CA -2.011 56.161 58.000 0.288 0.000 0.959 701 F CB 1.392 40.450 39.000 0.095 0.000 1.297 701 F HN 0.545 nan 8.300 nan 0.000 0.441 702 W N 2.201 123.731 121.300 0.383 0.000 2.656 702 W HA 0.370 5.034 4.660 0.007 0.000 0.327 702 W C 0.211 176.869 176.519 0.233 0.000 1.041 702 W CA -0.333 57.121 57.345 0.181 0.000 1.229 702 W CB 2.661 32.131 29.460 0.016 0.000 1.397 702 W HN 0.883 nan 8.180 nan 0.000 0.479 703 T N -0.092 114.653 114.554 0.318 0.000 3.054 703 T HA 0.471 4.825 4.350 0.007 0.000 0.255 703 T C 0.506 175.313 174.700 0.180 0.000 1.035 703 T CA 0.565 62.814 62.100 0.247 0.000 0.941 703 T CB 0.690 69.702 68.868 0.239 0.000 1.026 703 T HN 0.660 nan 8.240 nan 0.000 0.533 704 G N 0.740 109.650 108.800 0.185 0.000 2.368 704 G HA2 0.215 4.179 3.960 0.007 0.000 0.302 704 G HA3 0.215 4.179 3.960 0.007 0.000 0.302 704 G C -1.735 173.234 174.900 0.116 0.000 1.329 704 G CA -1.257 43.928 45.100 0.142 0.000 0.935 704 G HN 0.326 nan 8.290 nan 0.000 0.590 705 K N 0.637 121.110 120.400 0.122 0.000 2.504 705 K HA 0.211 4.535 4.320 0.007 0.000 0.278 705 K C 0.576 177.255 176.600 0.130 0.000 1.025 705 K CA 1.187 57.575 56.287 0.168 0.000 1.093 705 K CB 0.135 32.736 32.500 0.169 0.000 0.873 705 K HN 0.666 nan 8.250 nan 0.000 0.483 706 K N 1.176 121.684 120.400 0.180 0.000 3.281 706 K HA -0.239 4.085 4.320 0.007 0.000 0.295 706 K C -0.910 175.681 176.600 -0.016 0.000 1.233 706 K CA 1.033 57.414 56.287 0.157 0.000 0.866 706 K CB -0.752 31.826 32.500 0.131 0.000 1.265 706 K HN 0.585 nan 8.250 nan 0.000 0.482 707 R N 0.508 120.959 120.500 -0.082 0.000 2.713 707 R HA 0.332 4.676 4.340 0.007 0.000 0.282 707 R C -1.199 174.875 176.300 -0.376 0.000 1.472 707 R CA -0.876 55.103 56.100 -0.202 0.000 1.060 707 R CB 0.825 31.098 30.300 -0.046 0.000 1.237 707 R HN 0.243 nan 8.270 nan 0.000 0.484 708 Y N -0.993 118.827 120.300 -0.800 0.000 2.641 708 Y HA 0.805 5.359 4.550 0.007 0.000 0.333 708 Y C -1.932 173.254 175.900 -1.190 0.000 1.174 708 Y CA -1.313 55.992 58.100 -1.325 0.000 1.057 708 Y CB 1.378 38.281 38.460 -2.595 0.000 1.322 708 Y HN 0.447 nan 8.280 nan 0.000 0.457 709 A N 3.369 125.407 122.820 -1.303 0.000 2.422 709 A HA 0.862 5.186 4.320 0.007 0.000 0.302 709 A C -1.874 175.305 177.584 -0.676 0.000 1.041 709 A CA -0.856 50.569 52.037 -1.021 0.000 0.708 709 A CB 1.254 19.551 19.000 -1.172 0.000 1.257 709 A HN 0.796 nan 8.150 nan 0.000 0.414 710 L N 1.086 122.093 121.223 -0.359 0.000 2.333 710 L HA 0.547 4.891 4.340 0.007 0.000 0.263 710 L C -0.457 176.322 176.870 -0.151 0.000 1.014 710 L CA -1.138 53.617 54.840 -0.141 0.000 0.820 710 L CB 2.273 44.361 42.059 0.048 0.000 1.352 710 L HN 0.778 nan 8.230 nan 0.000 0.421 711 N N 1.164 119.793 118.700 -0.118 0.000 2.546 711 N HA 0.389 5.133 4.740 0.007 0.000 0.238 711 N C -1.287 174.025 175.510 -0.330 0.000 0.984 711 N CA -0.283 52.626 53.050 -0.234 0.000 0.935 711 N CB 1.143 39.501 38.487 -0.215 0.000 1.122 711 N HN 0.311 nan 8.380 nan 0.000 0.510 712 V N 3.892 123.614 119.914 -0.321 0.000 2.539 712 V HA 0.334 4.458 4.120 0.007 0.000 0.292 712 V C 0.316 176.253 176.094 -0.262 0.000 1.045 712 V CA -0.463 61.731 62.300 -0.175 0.000 0.945 712 V CB 1.318 33.170 31.823 0.049 0.000 0.993 712 V HN 0.737 nan 8.190 nan 0.000 0.464 713 W N 0.216 121.634 121.300 0.198 0.000 2.699 713 W HA 0.281 4.946 4.660 0.007 0.000 0.267 713 W C 0.664 177.251 176.519 0.114 0.000 1.182 713 W CA -0.007 57.434 57.345 0.159 0.000 1.453 713 W CB 0.512 29.959 29.460 -0.021 0.000 1.054 713 W HN 0.459 nan 8.180 nan 0.000 0.595 714 D N 0.536 121.072 120.400 0.226 0.000 2.757 714 D HA 0.249 4.893 4.640 0.007 0.000 0.249 714 D C -1.238 175.031 176.300 -0.051 0.000 1.168 714 D CA -0.463 53.508 54.000 -0.047 0.000 0.870 714 D CB 1.719 42.504 40.800 -0.026 0.000 1.411 714 D HN -0.123 nan 8.370 nan 0.000 0.525 715 M N 4.193 123.664 119.600 -0.215 0.000 2.182 715 M HA 0.278 4.763 4.480 0.007 0.000 0.285 715 M C -0.779 175.458 176.300 -0.105 0.000 0.956 715 M CA -0.081 55.180 55.300 -0.066 0.000 0.878 715 M CB -0.039 32.633 32.600 0.120 0.000 1.373 715 M HN 0.529 nan 8.290 nan 0.000 0.393 716 E N 2.939 123.081 120.200 -0.098 0.000 2.276 716 E HA -0.132 4.222 4.350 0.007 0.000 0.222 716 E C 0.760 177.301 176.600 -0.099 0.000 1.229 716 E CA 0.701 57.046 56.400 -0.090 0.000 0.684 716 E CB -1.172 28.490 29.700 -0.065 0.000 1.198 716 E HN 1.350 nan 8.360 nan 0.000 0.400 717 G N 0.991 109.732 108.800 -0.098 0.000 2.674 717 G HA2 -0.436 3.528 3.960 0.007 0.000 0.236 717 G HA3 -0.436 3.528 3.960 0.007 0.000 0.236 717 G C 0.482 175.306 174.900 -0.127 0.000 1.178 717 G CA 0.873 45.920 45.100 -0.089 0.000 0.721 717 G HN 0.956 nan 8.290 nan 0.000 0.515 718 T N 1.277 115.725 114.554 -0.176 0.000 2.761 718 T HA 0.459 4.813 4.350 0.007 0.000 0.287 718 T C 0.387 174.829 174.700 -0.430 0.000 0.931 718 T CA 0.295 62.244 62.100 -0.251 0.000 1.164 718 T CB 0.306 69.035 68.868 -0.231 0.000 0.876 718 T HN 0.606 nan 8.240 nan 0.000 0.534 719 R N 5.027 125.351 120.500 -0.293 0.000 2.215 719 R HA 0.352 4.696 4.340 0.007 0.000 0.336 719 R C -1.362 174.850 176.300 -0.146 0.000 0.996 719 R CA -0.612 55.346 56.100 -0.236 0.000 0.847 719 R CB -0.185 30.055 30.300 -0.100 0.000 1.127 719 R HN 0.605 nan 8.270 nan 0.000 0.465 720 Y N 2.509 122.848 120.300 0.065 0.000 2.359 720 Y HA 0.237 4.791 4.550 0.007 0.000 0.330 720 Y C 1.434 177.396 175.900 0.103 0.000 1.143 720 Y CA 0.039 58.181 58.100 0.069 0.000 1.318 720 Y CB 1.099 39.589 38.460 0.050 0.000 1.234 720 Y HN 0.759 nan 8.280 nan 0.000 0.522 721 A N 1.846 124.819 122.820 0.255 0.000 1.970 721 A HA -0.036 4.288 4.320 0.007 0.000 0.216 721 A C 0.714 178.432 177.584 0.223 0.000 1.170 721 A CA 0.667 52.816 52.037 0.187 0.000 0.645 721 A CB -0.148 18.956 19.000 0.173 0.000 0.816 721 A HN 0.764 nan 8.150 nan 0.000 0.447 722 E N 0.662 120.994 120.200 0.219 0.000 2.183 722 E HA 0.344 4.698 4.350 0.007 0.000 0.271 722 E C -2.725 173.914 176.600 0.065 0.000 0.919 722 E CA -2.881 53.612 56.400 0.154 0.000 0.781 722 E CB 1.652 31.404 29.700 0.086 0.000 1.140 722 E HN 0.120 nan 8.360 nan 0.000 0.402 723 P HA -0.002 nan 4.420 nan 0.000 0.265 723 P C -1.089 175.987 177.300 -0.372 0.000 1.193 723 P CA 0.251 63.122 63.100 -0.382 0.000 0.765 723 P CB 0.535 31.780 31.700 -0.758 0.000 0.823 724 K N 3.367 123.480 120.400 -0.479 0.000 2.358 724 K HA 0.358 4.682 4.320 0.007 0.000 0.260 724 K C -0.253 176.119 176.600 -0.380 0.000 0.956 724 K CA -0.740 55.237 56.287 -0.517 0.000 0.834 724 K CB 0.587 32.500 32.500 -0.979 0.000 1.102 724 K HN 0.398 nan 8.250 nan 0.000 0.431 725 L N 4.295 125.339 121.223 -0.299 0.000 2.534 725 L HA 0.080 4.424 4.340 0.007 0.000 0.271 725 L C 0.420 177.155 176.870 -0.224 0.000 1.178 725 L CA 0.441 55.132 54.840 -0.248 0.000 0.907 725 L CB 0.270 42.202 42.059 -0.210 0.000 1.164 725 L HN 0.447 nan 8.230 nan 0.000 0.482 726 K N 6.104 126.379 120.400 -0.208 0.000 2.347 726 K HA 0.470 4.794 4.320 0.007 0.000 0.262 726 K C -1.027 175.404 176.600 -0.282 0.000 1.052 726 K CA -0.495 55.683 56.287 -0.181 0.000 0.946 726 K CB 0.570 33.023 32.500 -0.079 0.000 1.220 726 K HN 0.474 nan 8.250 nan 0.000 0.450 727 I N 4.964 125.348 120.570 -0.311 0.000 2.382 727 I HA 0.292 4.466 4.170 0.007 0.000 0.286 727 I C -0.492 175.354 176.117 -0.451 0.000 1.002 727 I CA -0.752 60.288 61.300 -0.434 0.000 1.135 727 I CB 1.481 39.271 38.000 -0.350 0.000 1.288 727 I HN 0.278 nan 8.210 nan 0.000 0.448 728 M N 4.069 123.235 119.600 -0.723 0.000 2.336 728 M HA 0.470 4.954 4.480 0.007 0.000 0.342 728 M C 1.126 177.088 176.300 -0.563 0.000 1.128 728 M CA -0.725 54.182 55.300 -0.655 0.000 1.016 728 M CB 0.744 32.800 32.600 -0.906 0.000 1.665 728 M HN 0.871 nan 8.290 nan 0.000 0.445 729 G N 2.316 110.936 108.800 -0.300 0.000 2.377 729 G HA2 -0.252 3.712 3.960 0.007 0.000 0.250 729 G HA3 -0.252 3.712 3.960 0.007 0.000 0.250 729 G C 0.226 175.047 174.900 -0.132 0.000 1.039 729 G CA 0.295 45.283 45.100 -0.185 0.000 0.625 729 G HN 0.574 nan 8.290 nan 0.000 0.526 730 L N 0.039 121.155 121.223 -0.179 0.000 2.476 730 L HA 0.438 4.782 4.340 0.007 0.000 0.255 730 L C 1.915 178.796 176.870 0.019 0.000 1.218 730 L CA -0.345 54.462 54.840 -0.055 0.000 0.819 730 L CB 0.297 42.258 42.059 -0.163 0.000 1.119 730 L HN 0.058 nan 8.230 nan 0.000 0.485 731 E N -0.000 120.282 120.200 0.138 0.000 2.273 731 E HA -0.199 4.155 4.350 0.007 0.000 0.198 731 E C 1.846 178.497 176.600 0.084 0.000 1.002 731 E CA 1.673 58.138 56.400 0.108 0.000 0.828 731 E CB -0.159 29.616 29.700 0.125 0.000 0.747 731 E HN 0.839 nan 8.360 nan 0.000 0.491 732 T N -1.818 112.784 114.554 0.079 0.000 3.007 732 T HA -0.101 4.253 4.350 0.007 0.000 0.270 732 T C 1.395 176.101 174.700 0.010 0.000 1.107 732 T CA 0.636 62.763 62.100 0.044 0.000 1.118 732 T CB 0.042 68.915 68.868 0.008 0.000 0.889 732 T HN 0.005 nan 8.240 nan 0.000 0.506 733 Q N 0.637 120.429 119.800 -0.013 0.000 2.396 733 Q HA 0.270 4.614 4.340 0.007 0.000 0.209 733 Q C 0.356 176.353 176.000 -0.004 0.000 0.906 733 Q CA 0.373 56.163 55.803 -0.023 0.000 0.927 733 Q CB 0.295 28.994 28.738 -0.065 0.000 1.069 733 Q HN 0.581 nan 8.270 nan 0.000 0.523 734 K N 1.710 122.112 120.400 0.004 0.000 2.312 734 K HA 0.118 4.442 4.320 0.007 0.000 0.287 734 K C 1.136 177.739 176.600 0.006 0.000 1.062 734 K CA 0.147 56.435 56.287 0.002 0.000 0.934 734 K CB 1.065 33.566 32.500 0.002 0.000 1.027 734 K HN 0.033 nan 8.250 nan 0.000 0.478 735 S N 1.352 117.046 115.700 -0.009 0.000 2.440 735 S HA -0.163 4.311 4.470 0.007 0.000 0.238 735 S C 1.652 176.231 174.600 -0.034 0.000 1.010 735 S CA 1.668 59.853 58.200 -0.024 0.000 0.972 735 S CB -0.203 62.968 63.200 -0.049 0.000 0.774 735 S HN 0.619 nan 8.310 nan 0.000 0.501 736 S N 0.192 115.871 115.700 -0.035 0.000 2.561 736 S HA 0.107 4.581 4.470 0.007 0.000 0.225 736 S C 0.672 175.272 174.600 -0.001 0.000 0.977 736 S CA 0.024 58.199 58.200 -0.042 0.000 0.926 736 S CB -0.788 62.375 63.200 -0.061 0.000 0.769 736 S HN 0.469 nan 8.310 nan 0.000 0.533 737 T N 4.798 119.366 114.554 0.023 0.000 2.907 737 T HA 0.353 4.707 4.350 0.007 0.000 0.298 737 T C -2.627 172.119 174.700 0.076 0.000 1.017 737 T CA -1.069 61.066 62.100 0.057 0.000 1.118 737 T CB 0.818 69.728 68.868 0.069 0.000 0.948 737 T HN 0.133 nan 8.240 nan 0.000 0.531 738 P HA 0.143 nan 4.420 nan 0.000 0.267 738 P C 0.631 177.997 177.300 0.111 0.000 1.200 738 P CA -0.302 62.860 63.100 0.105 0.000 0.772 738 P CB 0.650 32.431 31.700 0.134 0.000 0.855 739 K N 2.950 123.409 120.400 0.097 0.000 2.097 739 K HA -0.115 4.209 4.320 0.007 0.000 0.205 739 K C 1.824 178.486 176.600 0.105 0.000 1.050 739 K CA 1.775 58.124 56.287 0.103 0.000 0.938 739 K CB -0.747 31.816 32.500 0.104 0.000 0.718 739 K HN 0.447 nan 8.250 nan 0.000 0.442 740 A N -0.129 122.760 122.820 0.115 0.000 1.968 740 A HA -0.043 4.282 4.320 0.007 0.000 0.217 740 A C 2.174 179.868 177.584 0.183 0.000 1.169 740 A CA 1.376 53.505 52.037 0.153 0.000 0.638 740 A CB -0.418 18.681 19.000 0.164 0.000 0.812 740 A HN 0.128 nan 8.150 nan 0.000 0.446 741 V N -0.317 119.723 119.914 0.210 0.000 2.323 741 V HA -0.285 3.840 4.120 0.007 0.000 0.244 741 V C 2.556 178.740 176.094 0.150 0.000 1.041 741 V CA 2.051 64.473 62.300 0.203 0.000 1.025 741 V CB -0.951 31.054 31.823 0.303 0.000 0.656 741 V HN 0.614 nan 8.190 nan 0.000 0.451 742 Q N -0.052 119.828 119.800 0.133 0.000 2.082 742 Q HA -0.340 4.004 4.340 0.007 0.000 0.211 742 Q C 2.406 178.454 176.000 0.080 0.000 1.002 742 Q CA 2.449 58.315 55.803 0.104 0.000 0.868 742 Q CB -0.285 28.506 28.738 0.088 0.000 0.931 742 Q HN 0.523 nan 8.270 nan 0.000 0.414 743 K N -0.456 119.985 120.400 0.068 0.000 2.032 743 K HA -0.183 4.142 4.320 0.007 0.000 0.209 743 K C 2.042 178.662 176.600 0.033 0.000 1.048 743 K CA 1.147 57.462 56.287 0.047 0.000 0.927 743 K CB -0.175 32.362 32.500 0.062 0.000 0.712 743 K HN 0.231 nan 8.250 nan 0.000 0.441 744 A N 1.152 123.952 122.820 -0.033 0.000 1.858 744 A HA -0.162 4.162 4.320 0.007 0.000 0.216 744 A C 2.106 179.788 177.584 0.164 0.000 1.190 744 A CA 1.337 53.275 52.037 -0.166 0.000 0.617 744 A CB -0.697 17.615 19.000 -1.147 0.000 0.827 744 A HN 0.237 nan 8.150 nan 0.000 0.443 745 L N -0.689 120.670 121.223 0.226 0.000 2.046 745 L HA -0.197 4.147 4.340 0.007 0.000 0.208 745 L C 2.663 179.645 176.870 0.187 0.000 1.077 745 L CA 1.918 56.929 54.840 0.286 0.000 0.747 745 L CB -0.364 41.863 42.059 0.280 0.000 0.896 745 L HN 0.473 nan 8.230 nan 0.000 0.432 746 K N 0.013 120.466 120.400 0.087 0.000 2.097 746 K HA -0.249 4.075 4.320 0.007 0.000 0.206 746 K C 2.065 178.637 176.600 -0.047 0.000 1.049 746 K CA 1.443 57.730 56.287 -0.001 0.000 0.933 746 K CB 0.111 32.595 32.500 -0.028 0.000 0.717 746 K HN 0.051 nan 8.250 nan 0.000 0.442 747 E N 0.561 120.713 120.200 -0.081 0.000 2.106 747 E HA -0.123 4.231 4.350 0.007 0.000 0.192 747 E C 1.757 178.211 176.600 -0.242 0.000 0.984 747 E CA 1.235 57.474 56.400 -0.269 0.000 0.806 747 E CB -0.419 28.943 29.700 -0.564 0.000 0.750 747 E HN 0.359 nan 8.360 nan 0.000 0.458 748 C N 0.007 119.301 119.300 -0.010 0.000 2.432 748 C HA -0.077 4.388 4.460 0.007 0.000 0.277 748 C C 2.619 177.661 174.990 0.086 0.000 1.249 748 C CA 0.749 59.852 59.018 0.141 0.000 1.725 748 C CB -1.061 26.852 27.740 0.288 0.000 2.028 748 C HN 0.454 nan 8.230 nan 0.000 0.477 749 I N 0.309 120.923 120.570 0.074 0.000 2.142 749 I HA -0.233 3.941 4.170 0.007 0.000 0.240 749 I C 2.848 178.966 176.117 0.003 0.000 1.078 749 I CA 1.586 62.914 61.300 0.047 0.000 1.343 749 I CB -0.661 37.316 38.000 -0.038 0.000 1.046 749 I HN 0.325 nan 8.210 nan 0.000 0.405 750 R N 1.203 121.670 120.500 -0.055 0.000 2.115 750 R HA -0.239 4.105 4.340 0.007 0.000 0.239 750 R C 2.538 178.811 176.300 -0.045 0.000 1.133 750 R CA 2.042 58.095 56.100 -0.078 0.000 0.935 750 R CB -0.214 30.018 30.300 -0.113 0.000 0.853 750 R HN 0.270 nan 8.270 nan 0.000 0.433 751 R N -0.221 120.251 120.500 -0.047 0.000 2.091 751 R HA -0.144 4.201 4.340 0.007 0.000 0.238 751 R C 2.489 178.806 176.300 0.029 0.000 1.136 751 R CA 2.119 58.213 56.100 -0.010 0.000 0.959 751 R CB -0.336 29.957 30.300 -0.012 0.000 0.856 751 R HN 0.320 nan 8.270 nan 0.000 0.437 752 M N 0.437 120.064 119.600 0.044 0.000 2.082 752 M HA -0.239 4.245 4.480 0.007 0.000 0.258 752 M C 2.240 178.577 176.300 0.062 0.000 1.071 752 M CA 1.913 57.247 55.300 0.056 0.000 1.103 752 M CB -0.388 32.251 32.600 0.065 0.000 1.307 752 M HN 0.145 nan 8.290 nan 0.000 0.409 753 L N -1.113 120.149 121.223 0.065 0.000 2.093 753 L HA -0.208 4.136 4.340 0.007 0.000 0.208 753 L C 2.279 179.173 176.870 0.041 0.000 1.085 753 L CA 1.288 56.161 54.840 0.055 0.000 0.755 753 L CB -0.679 41.390 42.059 0.018 0.000 0.904 753 L HN 0.445 nan 8.230 nan 0.000 0.435 754 Q N -0.712 119.106 119.800 0.030 0.000 2.394 754 Q HA 0.015 4.359 4.340 0.007 0.000 0.218 754 Q C 1.112 177.152 176.000 0.066 0.000 0.907 754 Q CA 0.516 56.351 55.803 0.053 0.000 0.919 754 Q CB 0.627 29.381 28.738 0.025 0.000 1.051 754 Q HN 0.483 nan 8.270 nan 0.000 0.538 755 E N -0.356 119.874 120.200 0.049 0.000 2.601 755 E HA 0.242 4.597 4.350 0.007 0.000 0.219 755 E C 0.340 176.970 176.600 0.049 0.000 0.964 755 E CA 0.211 56.642 56.400 0.051 0.000 1.050 755 E CB 1.580 31.306 29.700 0.044 0.000 1.068 755 E HN 0.290 nan 8.360 nan 0.000 0.496 756 G N 2.316 111.144 108.800 0.047 0.000 2.693 756 G HA2 -0.358 3.606 3.960 0.007 0.000 0.226 756 G HA3 -0.358 3.606 3.960 0.007 0.000 0.226 756 G C 0.433 175.359 174.900 0.042 0.000 1.354 756 G CA 0.145 45.269 45.100 0.041 0.000 0.873 756 G HN 0.243 nan 8.290 nan 0.000 0.562 757 E N -0.490 119.729 120.200 0.032 0.000 2.031 757 E HA -0.174 4.181 4.350 0.007 0.000 0.193 757 E C 2.240 178.869 176.600 0.048 0.000 0.994 757 E CA 1.809 58.228 56.400 0.031 0.000 0.800 757 E CB -0.159 29.549 29.700 0.014 0.000 0.752 757 E HN 0.581 nan 8.360 nan 0.000 0.447 758 E N 0.498 120.724 120.200 0.042 0.000 2.095 758 E HA -0.300 4.054 4.350 0.007 0.000 0.212 758 E C 1.987 178.632 176.600 0.076 0.000 1.044 758 E CA 2.326 58.756 56.400 0.050 0.000 0.857 758 E CB -0.705 29.019 29.700 0.039 0.000 0.764 758 E HN 0.140 nan 8.360 nan 0.000 0.462 759 S N -1.278 114.468 115.700 0.078 0.000 2.368 759 S HA -0.116 4.358 4.470 0.007 0.000 0.224 759 S C 1.890 176.578 174.600 0.146 0.000 1.029 759 S CA 1.099 59.357 58.200 0.097 0.000 0.988 759 S CB -0.576 62.666 63.200 0.070 0.000 0.838 759 S HN 0.375 nan 8.310 nan 0.000 0.462 760 L N 2.023 123.331 121.223 0.142 0.000 1.971 760 L HA -0.156 4.188 4.340 0.007 0.000 0.215 760 L C 2.405 179.444 176.870 0.281 0.000 1.072 760 L CA 2.276 57.240 54.840 0.207 0.000 0.758 760 L CB -1.290 40.861 42.059 0.152 0.000 0.889 760 L HN 0.392 nan 8.230 nan 0.000 0.433 761 Q N -0.674 119.249 119.800 0.204 0.000 2.152 761 Q HA -0.289 4.055 4.340 0.007 0.000 0.206 761 Q C 2.224 178.389 176.000 0.274 0.000 0.985 761 Q CA 2.025 57.960 55.803 0.220 0.000 0.863 761 Q CB -0.370 28.438 28.738 0.117 0.000 0.904 761 Q HN 0.718 nan 8.270 nan 0.000 0.422 762 E N -0.107 120.226 120.200 0.222 0.000 2.072 762 E HA -0.224 4.131 4.350 0.007 0.000 0.191 762 E C 1.737 178.490 176.600 0.254 0.000 0.985 762 E CA 0.911 57.430 56.400 0.198 0.000 0.801 762 E CB -0.067 29.725 29.700 0.153 0.000 0.750 762 E HN 0.426 nan 8.360 nan 0.000 0.452 763 Y N 0.109 120.519 120.300 0.183 0.000 2.220 763 Y HA -0.185 4.370 4.550 0.007 0.000 0.291 763 Y C 1.937 177.998 175.900 0.268 0.000 1.129 763 Y CA 1.623 59.838 58.100 0.192 0.000 1.161 763 Y CB -0.575 37.987 38.460 0.170 0.000 0.997 763 Y HN 0.126 nan 8.280 nan 0.000 0.522 764 F N 1.341 121.424 119.950 0.221 0.000 2.063 764 F HA -0.297 4.234 4.527 0.007 0.000 0.298 764 F C 2.206 178.082 175.800 0.127 0.000 1.109 764 F CA 2.411 60.542 58.000 0.219 0.000 1.212 764 F CB -0.464 38.719 39.000 0.306 0.000 0.973 764 F HN -0.051 nan 8.300 nan 0.000 0.480 765 K N -0.375 120.125 120.400 0.167 0.000 2.044 765 K HA -0.280 4.044 4.320 0.007 0.000 0.210 765 K C 2.075 178.611 176.600 -0.106 0.000 1.049 765 K CA 2.000 58.303 56.287 0.027 0.000 0.927 765 K CB -0.368 32.195 32.500 0.105 0.000 0.713 765 K HN 0.250 nan 8.250 nan 0.000 0.443 766 E N 0.445 120.596 120.200 -0.081 0.000 2.046 766 E HA -0.143 4.211 4.350 0.007 0.000 0.190 766 E C 1.691 178.169 176.600 -0.204 0.000 0.982 766 E CA 0.955 57.291 56.400 -0.108 0.000 0.800 766 E CB -0.261 29.421 29.700 -0.030 0.000 0.756 766 E HN 0.221 nan 8.360 nan 0.000 0.449 767 F N 1.690 121.331 119.950 -0.516 0.000 2.126 767 F HA -0.124 4.407 4.527 0.007 0.000 0.299 767 F C 2.152 177.691 175.800 -0.435 0.000 1.096 767 F CA 2.052 59.713 58.000 -0.564 0.000 1.255 767 F CB -0.293 38.202 39.000 -0.842 0.000 0.997 767 F HN 0.141 nan 8.300 nan 0.000 0.479 768 E N 0.116 119.986 120.200 -0.550 0.000 2.085 768 E HA -0.241 4.113 4.350 0.007 0.000 0.194 768 E C 2.151 178.522 176.600 -0.382 0.000 0.994 768 E CA 1.431 57.491 56.400 -0.567 0.000 0.801 768 E CB -0.035 29.334 29.700 -0.552 0.000 0.743 768 E HN 0.422 nan 8.360 nan 0.000 0.453 769 K N 0.010 120.235 120.400 -0.293 0.000 2.103 769 K HA -0.055 4.269 4.320 0.007 0.000 0.204 769 K C 0.965 177.441 176.600 -0.208 0.000 1.052 769 K CA 0.712 56.878 56.287 -0.201 0.000 0.945 769 K CB 0.180 32.595 32.500 -0.141 0.000 0.722 769 K HN 0.062 nan 8.250 nan 0.000 0.443 770 E N 0.195 120.245 120.200 -0.249 0.000 2.405 770 E HA 0.014 4.369 4.350 0.007 0.000 0.214 770 E C 0.453 176.866 176.600 -0.312 0.000 1.101 770 E CA -0.072 56.192 56.400 -0.227 0.000 1.254 770 E CB -0.024 29.583 29.700 -0.155 0.000 1.240 770 E HN 0.193 nan 8.360 nan 0.000 0.439 771 F N 0.869 120.496 119.950 -0.538 0.000 2.317 771 F HA 0.128 4.660 4.527 0.007 0.000 0.290 771 F C 2.017 177.619 175.800 -0.331 0.000 1.075 771 F CA 0.639 58.275 58.000 -0.607 0.000 1.380 771 F CB 0.374 38.934 39.000 -0.734 0.000 1.093 771 F HN -0.106 nan 8.300 nan 0.000 0.524 772 R N -0.011 120.266 120.500 -0.372 0.000 2.285 772 R HA -0.062 4.282 4.340 0.007 0.000 0.213 772 R C 1.400 177.437 176.300 -0.439 0.000 1.068 772 R CA 0.761 56.474 56.100 -0.645 0.000 1.004 772 R CB -0.079 29.806 30.300 -0.691 0.000 0.873 772 R HN 0.296 nan 8.270 nan 0.000 0.467 773 Q N -0.124 119.496 119.800 -0.300 0.000 2.319 773 Q HA 0.146 4.490 4.340 0.007 0.000 0.202 773 Q C 0.236 176.151 176.000 -0.142 0.000 0.896 773 Q CA 0.241 55.931 55.803 -0.188 0.000 0.942 773 Q CB 0.403 29.050 28.738 -0.152 0.000 1.083 773 Q HN 0.307 nan 8.270 nan 0.000 0.510 774 L N 1.474 122.580 121.223 -0.196 0.000 2.464 774 L HA 0.105 4.449 4.340 0.007 0.000 0.264 774 L C 0.818 177.650 176.870 -0.065 0.000 1.199 774 L CA -0.620 54.133 54.840 -0.146 0.000 0.818 774 L CB 0.113 42.029 42.059 -0.238 0.000 1.102 774 L HN 0.004 nan 8.230 nan 0.000 0.473 775 N N 0.352 119.031 118.700 -0.034 0.000 2.412 775 N HA -0.153 4.592 4.740 0.007 0.000 0.254 775 N C 0.586 176.103 175.510 0.012 0.000 1.232 775 N CA 0.270 53.327 53.050 0.011 0.000 0.880 775 N CB 0.478 38.944 38.487 -0.036 0.000 1.076 775 N HN 0.457 nan 8.380 nan 0.000 0.458 776 Y N 3.417 123.682 120.300 -0.058 0.000 2.181 776 Y HA -0.045 4.509 4.550 0.006 0.000 0.288 776 Y C 1.645 177.508 175.900 -0.063 0.000 1.146 776 Y CA 1.109 59.172 58.100 -0.062 0.000 1.164 776 Y CB -0.701 37.728 38.460 -0.052 0.000 0.982 776 Y HN 0.549 nan 8.280 nan 0.000 0.515 777 I N 1.348 121.412 120.570 -0.842 0.000 2.163 777 I HA -0.305 3.869 4.170 0.007 0.000 0.243 777 I C 2.764 178.614 176.117 -0.445 0.000 1.085 777 I CA 1.994 62.818 61.300 -0.793 0.000 1.347 777 I CB -0.772 36.778 38.000 -0.751 0.000 1.044 777 I HN 0.468 nan 8.210 nan 0.000 0.408 778 S N 1.492 117.044 115.700 -0.247 0.000 2.469 778 S HA -0.117 4.357 4.470 0.007 0.000 0.238 778 S C 1.781 176.349 174.600 -0.055 0.000 0.998 778 S CA 1.099 59.234 58.200 -0.108 0.000 0.957 778 S CB -0.808 62.364 63.200 -0.046 0.000 0.764 778 S HN 0.681 nan 8.310 nan 0.000 0.514 779 I N -1.627 118.894 120.570 -0.081 0.000 4.018 779 I HA 0.550 4.724 4.170 0.007 0.000 0.337 779 I C 0.801 176.929 176.117 0.020 0.000 1.327 779 I CA -0.605 60.691 61.300 -0.005 0.000 1.100 779 I CB -0.248 37.706 38.000 -0.076 0.000 1.025 779 I HN 0.235 nan 8.210 nan 0.000 0.396 780 A N 1.510 124.294 122.820 -0.059 0.000 2.462 780 A HA 0.413 4.738 4.320 0.007 0.000 0.243 780 A C 0.561 178.167 177.584 0.037 0.000 1.076 780 A CA 0.110 52.131 52.037 -0.026 0.000 0.773 780 A CB 0.174 19.055 19.000 -0.198 0.000 1.010 780 A HN 0.407 nan 8.150 nan 0.000 0.493 781 S N -0.112 115.630 115.700 0.069 0.000 2.593 781 S HA 0.449 4.924 4.470 0.007 0.000 0.269 781 S C 0.265 174.883 174.600 0.030 0.000 1.334 781 S CA -0.429 57.808 58.200 0.063 0.000 1.015 781 S CB 0.676 63.923 63.200 0.079 0.000 0.912 781 S HN 0.614 nan 8.310 nan 0.000 0.541 782 V N 1.198 121.099 119.914 -0.020 0.000 3.019 782 V HA 0.919 5.043 4.120 0.007 0.000 0.317 782 V C 0.031 176.026 176.094 -0.166 0.000 1.094 782 V CA -0.604 61.618 62.300 -0.131 0.000 1.000 782 V CB 1.985 33.706 31.823 -0.170 0.000 1.060 782 V HN 0.810 nan 8.190 nan 0.000 0.443 783 S N 0.043 115.606 115.700 -0.229 0.000 2.622 783 S HA 0.395 4.869 4.470 0.007 0.000 0.275 783 S C -0.899 173.566 174.600 -0.226 0.000 1.112 783 S CA -0.504 57.531 58.200 -0.275 0.000 0.837 783 S CB 1.785 64.708 63.200 -0.463 0.000 1.082 783 S HN 0.776 nan 8.310 nan 0.000 0.456 784 S N 1.997 117.577 115.700 -0.200 0.000 2.564 784 S HA 0.525 4.999 4.470 0.007 0.000 0.278 784 S C 0.231 174.831 174.600 0.000 0.000 1.333 784 S CA 0.029 58.164 58.200 -0.108 0.000 1.048 784 S CB 1.018 64.168 63.200 -0.083 0.000 0.900 784 S HN 0.970 nan 8.310 nan 0.000 0.505 785 A N 4.281 127.083 122.820 -0.031 0.000 2.910 785 A HA 0.384 4.708 4.320 0.007 0.000 0.316 785 A C 0.012 177.534 177.584 -0.103 0.000 1.493 785 A CA -0.703 51.319 52.037 -0.025 0.000 1.150 785 A CB -0.514 18.441 19.000 -0.074 0.000 1.159 785 A HN 0.859 nan 8.150 nan 0.000 0.526 786 N N 0.668 119.300 118.700 -0.115 0.000 2.417 786 N HA 0.397 5.142 4.740 0.007 0.000 0.300 786 N C -0.309 175.063 175.510 -0.231 0.000 1.102 786 N CA -0.879 51.980 53.050 -0.319 0.000 0.886 786 N CB 0.813 39.012 38.487 -0.479 0.000 1.203 786 N HN 0.565 nan 8.380 nan 0.000 0.496 787 N N 0.344 118.854 118.700 -0.317 0.000 2.721 787 N HA -0.213 4.531 4.740 0.007 0.000 0.249 787 N C 0.313 175.826 175.510 0.004 0.000 1.072 787 N CA 0.138 53.120 53.050 -0.113 0.000 0.710 787 N CB -1.228 37.251 38.487 -0.013 0.000 0.993 787 N HN 0.538 nan 8.380 nan 0.000 0.547 788 I N -0.309 120.239 120.570 -0.037 0.000 2.145 788 I HA -0.384 3.790 4.170 0.007 0.000 0.244 788 I C 2.531 178.661 176.117 0.022 0.000 1.075 788 I CA 1.958 63.254 61.300 -0.006 0.000 1.332 788 I CB -0.340 37.640 38.000 -0.033 0.000 1.033 788 I HN 0.564 nan 8.210 nan 0.000 0.410 789 A N 0.318 123.134 122.820 -0.007 0.000 1.902 789 A HA -0.267 4.057 4.320 0.007 0.000 0.217 789 A C 2.375 179.931 177.584 -0.047 0.000 1.181 789 A CA 1.941 53.970 52.037 -0.014 0.000 0.623 789 A CB -0.584 18.407 19.000 -0.015 0.000 0.818 789 A HN 0.370 nan 8.150 nan 0.000 0.443 790 K N -1.714 118.618 120.400 -0.114 0.000 2.113 790 K HA -0.203 4.121 4.320 0.007 0.000 0.208 790 K C 1.120 177.480 176.600 -0.400 0.000 1.047 790 K CA 2.001 58.106 56.287 -0.303 0.000 0.928 790 K CB -0.256 31.951 32.500 -0.487 0.000 0.716 790 K HN 0.658 nan 8.250 nan 0.000 0.446 791 Y N -0.305 119.978 120.300 -0.027 0.000 2.458 791 Y HA 0.150 4.705 4.550 0.008 0.000 0.256 791 Y C 0.193 176.088 175.900 -0.009 0.000 1.159 791 Y CA -0.573 57.514 58.100 -0.022 0.000 1.261 791 Y CB 0.450 38.883 38.460 -0.045 0.000 1.119 791 Y HN -0.053 nan 8.280 nan 0.000 0.524 792 D N 1.434 121.890 120.400 0.092 0.000 2.338 792 D HA 0.149 4.793 4.640 0.007 0.000 0.255 792 D C -0.796 175.545 176.300 0.068 0.000 1.237 792 D CA 0.360 54.401 54.000 0.069 0.000 0.883 792 D CB 1.020 41.843 40.800 0.039 0.000 1.087 792 D HN -0.118 nan 8.370 nan 0.000 0.485 793 V N 3.600 123.575 119.914 0.102 0.000 2.266 793 V HA 0.388 4.512 4.120 0.007 0.000 0.271 793 V C 1.171 177.349 176.094 0.141 0.000 1.032 793 V CA -0.261 62.098 62.300 0.098 0.000 0.806 793 V CB 0.875 32.751 31.823 0.087 0.000 1.052 793 V HN 0.815 nan 8.190 nan 0.000 0.449 794 G N 3.286 112.154 108.800 0.113 0.000 2.198 794 G HA2 0.017 3.981 3.960 0.007 0.000 0.260 794 G HA3 0.017 3.981 3.960 0.007 0.000 0.260 794 G C 1.054 176.077 174.900 0.204 0.000 1.025 794 G CA 0.384 45.567 45.100 0.139 0.000 0.769 794 G HN 2.170 nan 8.290 nan 0.000 0.507 795 G N -2.545 106.332 108.800 0.128 0.000 2.143 795 G HA2 -0.121 3.844 3.960 0.007 0.000 0.248 795 G HA3 -0.121 3.844 3.960 0.007 0.000 0.248 795 G C 0.176 175.035 174.900 -0.069 0.000 0.991 795 G CA 0.655 45.775 45.100 0.032 0.000 0.689 795 G HN 1.347 nan 8.290 nan 0.000 0.522 796 F N -0.040 119.917 119.950 0.013 0.000 2.593 796 F HA 0.609 5.140 4.527 0.006 0.000 0.320 796 F C -2.170 173.641 175.800 0.019 0.000 1.060 796 F CA -2.497 55.510 58.000 0.012 0.000 0.940 796 F CB 2.271 41.278 39.000 0.012 0.000 1.268 796 F HN -0.186 nan 8.300 nan 0.000 0.475 797 P HA 0.179 nan 4.420 nan 0.000 0.267 797 P C -0.147 177.242 177.300 0.149 0.000 1.205 797 P CA 0.000 63.175 63.100 0.126 0.000 0.765 797 P CB 0.511 32.261 31.700 0.083 0.000 0.828 798 G N 3.922 112.820 108.800 0.163 0.000 2.525 798 G HA2 0.479 4.444 3.960 0.007 0.000 0.287 798 G HA3 0.479 4.444 3.960 0.007 0.000 0.287 798 G C -2.543 172.459 174.900 0.170 0.000 1.350 798 G CA -1.397 43.801 45.100 0.163 0.000 1.039 798 G HN 0.298 nan 8.290 nan 0.000 0.513 799 P HA 0.295 nan 4.420 nan 0.000 0.276 799 P C -0.355 177.076 177.300 0.218 0.000 1.230 799 P CA -0.194 62.991 63.100 0.142 0.000 0.776 799 P CB 0.874 32.633 31.700 0.100 0.000 0.888 800 K N -1.203 119.281 120.400 0.139 0.000 3.281 800 K HA -0.176 4.148 4.320 0.007 0.000 0.295 800 K C -0.133 176.428 176.600 -0.065 0.000 1.233 800 K CA 0.134 56.488 56.287 0.112 0.000 0.866 800 K CB -1.994 30.625 32.500 0.199 0.000 1.265 800 K HN 0.525 nan 8.250 nan 0.000 0.482 801 C N 2.060 121.295 119.300 -0.109 0.000 2.624 801 C HA 0.223 4.688 4.460 0.007 0.000 0.397 801 C C -1.546 173.232 174.990 -0.353 0.000 1.331 801 C CA -1.676 57.098 59.018 -0.407 0.000 1.716 801 C CB -0.510 27.154 27.740 -0.126 0.000 2.452 801 C HN 0.198 nan 8.230 nan 0.000 0.586 802 P HA 0.073 nan 4.420 nan 0.000 0.270 802 P C 0.508 177.724 177.300 -0.140 0.000 1.223 802 P CA -0.157 62.801 63.100 -0.236 0.000 0.785 802 P CB 0.253 31.785 31.700 -0.280 0.000 0.923 803 F N 1.800 121.715 119.950 -0.058 0.000 2.216 803 F HA -0.237 4.295 4.527 0.008 0.000 0.300 803 F C 2.209 178.007 175.800 -0.004 0.000 1.085 803 F CA 1.800 59.792 58.000 -0.013 0.000 1.326 803 F CB -0.256 38.765 39.000 0.035 0.000 1.027 803 F HN 0.446 nan 8.300 nan 0.000 0.497 804 H N -1.209 117.801 119.070 -0.101 0.000 2.512 804 H HA 0.034 4.595 4.556 0.007 0.000 0.279 804 H C 2.120 177.326 175.328 -0.203 0.000 0.999 804 H CA 1.058 56.998 56.048 -0.180 0.000 1.283 804 H CB -0.673 29.046 29.762 -0.073 0.000 1.421 804 H HN 0.246 nan 8.280 nan 0.000 0.554 805 I N 1.593 121.743 120.570 -0.700 0.000 2.233 805 I HA -0.134 4.040 4.170 0.007 0.000 0.243 805 I C 2.852 178.790 176.117 -0.298 0.000 1.093 805 I CA 0.673 61.684 61.300 -0.482 0.000 1.380 805 I CB -0.933 36.768 38.000 -0.499 0.000 1.067 805 I HN 0.183 nan 8.210 nan 0.000 0.413 806 R N 1.160 121.477 120.500 -0.304 0.000 2.133 806 R HA -0.227 4.117 4.340 0.007 0.000 0.245 806 R C 2.397 178.541 176.300 -0.260 0.000 1.137 806 R CA 2.340 58.291 56.100 -0.249 0.000 0.947 806 R CB -0.797 29.342 30.300 -0.267 0.000 0.865 806 R HN 0.406 nan 8.270 nan 0.000 0.437 807 G N 0.857 109.447 108.800 -0.350 0.000 2.529 807 G HA2 -0.319 3.645 3.960 0.007 0.000 0.219 807 G HA3 -0.319 3.645 3.960 0.007 0.000 0.219 807 G C 1.476 176.298 174.900 -0.129 0.000 1.177 807 G CA 1.435 46.377 45.100 -0.263 0.000 0.773 807 G HN 0.370 nan 8.290 nan 0.000 0.573 808 I N 0.418 120.914 120.570 -0.123 0.000 2.179 808 I HA -0.136 4.038 4.170 0.007 0.000 0.242 808 I C 2.742 178.862 176.117 0.005 0.000 1.088 808 I CA 0.813 62.089 61.300 -0.040 0.000 1.357 808 I CB -0.152 37.803 38.000 -0.076 0.000 1.051 808 I HN 0.134 nan 8.210 nan 0.000 0.409 809 L N -0.419 120.762 121.223 -0.071 0.000 2.131 809 L HA -0.194 4.150 4.340 0.007 0.000 0.210 809 L C 2.534 179.325 176.870 -0.130 0.000 1.092 809 L CA 1.330 56.115 54.840 -0.092 0.000 0.759 809 L CB -1.060 40.931 42.059 -0.113 0.000 0.903 809 L HN 0.276 nan 8.230 nan 0.000 0.435 810 T N -1.056 113.423 114.554 -0.126 0.000 2.708 810 T HA -0.258 4.096 4.350 0.007 0.000 0.266 810 T C 1.698 176.366 174.700 -0.053 0.000 1.037 810 T CA 1.523 63.548 62.100 -0.124 0.000 1.146 810 T CB -0.388 68.394 68.868 -0.144 0.000 0.865 810 T HN 0.287 nan 8.240 nan 0.000 0.435 811 Y N 3.138 123.363 120.300 -0.126 0.000 2.070 811 Y HA -0.239 4.315 4.550 0.006 0.000 0.280 811 Y C 2.238 178.114 175.900 -0.041 0.000 1.148 811 Y CA 1.543 59.602 58.100 -0.068 0.000 1.125 811 Y CB -0.666 37.789 38.460 -0.008 0.000 0.975 811 Y HN 0.135 nan 8.280 nan 0.000 0.492 812 N N 0.351 119.025 118.700 -0.044 0.000 2.104 812 N HA -0.186 4.558 4.740 0.007 0.000 0.190 812 N C 1.969 177.389 175.510 -0.149 0.000 1.024 812 N CA 1.666 54.642 53.050 -0.122 0.000 0.853 812 N CB -0.494 37.973 38.487 -0.033 0.000 1.008 812 N HN 0.428 nan 8.380 nan 0.000 0.424 813 R N 0.506 120.920 120.500 -0.143 0.000 2.073 813 R HA 0.008 4.353 4.340 0.007 0.000 0.234 813 R C 2.096 178.338 176.300 -0.097 0.000 1.134 813 R CA 1.401 57.417 56.100 -0.141 0.000 0.952 813 R CB -0.320 29.850 30.300 -0.216 0.000 0.850 813 R HN 0.236 nan 8.270 nan 0.000 0.433 814 A N 1.131 123.904 122.820 -0.080 0.000 1.968 814 A HA -0.108 4.216 4.320 0.007 0.000 0.217 814 A C 2.028 179.549 177.584 -0.105 0.000 1.169 814 A CA 1.208 53.236 52.037 -0.016 0.000 0.638 814 A CB -0.295 18.793 19.000 0.145 0.000 0.812 814 A HN 0.417 nan 8.150 nan 0.000 0.446 815 I N -3.317 117.106 120.570 -0.245 0.000 3.427 815 I HA 0.200 4.375 4.170 0.007 0.000 0.288 815 I C 0.810 176.837 176.117 -0.149 0.000 1.249 815 I CA -0.022 61.124 61.300 -0.257 0.000 1.421 815 I CB -0.164 37.541 38.000 -0.491 0.000 1.086 815 I HN -0.064 nan 8.210 nan 0.000 0.448 816 K N 2.206 122.532 120.400 -0.123 0.000 2.530 816 K HA 0.233 4.557 4.320 0.007 0.000 0.280 816 K C 0.863 177.436 176.600 -0.045 0.000 1.004 816 K CA 1.493 57.739 56.287 -0.068 0.000 1.071 816 K CB -0.054 32.416 32.500 -0.051 0.000 0.876 816 K HN 0.668 nan 8.250 nan 0.000 0.487 817 G N 3.568 112.352 108.800 -0.026 0.000 1.929 817 G HA2 -0.265 3.700 3.960 0.007 0.000 0.219 817 G HA3 -0.265 3.700 3.960 0.007 0.000 0.219 817 G C -0.527 174.369 174.900 -0.007 0.000 2.200 817 G CA -0.071 45.021 45.100 -0.014 0.000 1.552 817 G HN 0.842 nan 8.290 nan 0.000 0.498 818 N N 0.758 119.451 118.700 -0.012 0.000 2.458 818 N HA 0.512 5.257 4.740 0.007 0.000 0.270 818 N C -0.436 175.076 175.510 0.004 0.000 1.102 818 N CA -0.518 52.532 53.050 -0.000 0.000 0.967 818 N CB 2.038 40.524 38.487 -0.001 0.000 1.078 818 N HN 0.583 nan 8.380 nan 0.000 0.471 819 I N 2.205 122.788 120.570 0.022 0.000 2.304 819 I HA 0.328 4.502 4.170 0.007 0.000 0.291 819 I C -0.420 175.723 176.117 0.044 0.000 1.018 819 I CA 0.338 61.660 61.300 0.037 0.000 1.260 819 I CB 0.795 38.827 38.000 0.054 0.000 1.390 819 I HN 0.899 nan 8.210 nan 0.000 0.475 820 D N 4.382 124.812 120.400 0.049 0.000 1.490 820 D HA 0.063 4.707 4.640 0.007 0.000 0.826 820 D C 0.222 176.565 176.300 0.071 0.000 0.451 820 D CA 0.399 54.432 54.000 0.054 0.000 1.354 820 D CB -0.086 40.738 40.800 0.039 0.000 1.048 820 D HN 0.537 nan 8.370 nan 0.000 0.389 821 A N 1.936 124.794 122.820 0.063 0.000 2.483 821 A HA 0.484 4.808 4.320 0.007 0.000 0.238 821 A C -2.214 175.452 177.584 0.136 0.000 1.070 821 A CA -0.359 51.732 52.037 0.090 0.000 0.770 821 A CB -0.246 18.781 19.000 0.046 0.000 1.008 821 A HN 0.022 nan 8.150 nan 0.000 0.497 822 P HA 0.122 nan 4.420 nan 0.000 0.261 822 P C -0.376 177.088 177.300 0.274 0.000 1.183 822 P CA 0.404 63.630 63.100 0.210 0.000 0.761 822 P CB 0.375 32.209 31.700 0.224 0.000 0.785 823 Q N 2.272 122.184 119.800 0.187 0.000 2.259 823 Q HA 0.339 4.683 4.340 0.007 0.000 0.246 823 Q C -0.669 175.413 176.000 0.136 0.000 0.920 823 Q CA -0.483 55.431 55.803 0.185 0.000 0.895 823 Q CB 0.819 29.620 28.738 0.105 0.000 1.220 823 Q HN 0.168 nan 8.270 nan 0.000 0.439 824 V N 3.474 123.481 119.914 0.155 0.000 2.732 824 V HA 0.360 4.484 4.120 0.007 0.000 0.297 824 V C -0.482 175.600 176.094 -0.020 0.000 1.060 824 V CA -0.449 61.867 62.300 0.026 0.000 1.038 824 V CB 1.575 33.401 31.823 0.005 0.000 1.003 824 V HN 0.612 nan 8.190 nan 0.000 0.481 825 V N 3.097 122.968 119.914 -0.073 0.000 2.555 825 V HA 0.386 4.511 4.120 0.007 0.000 0.302 825 V C 0.096 176.139 176.094 -0.084 0.000 1.038 825 V CA -0.982 61.264 62.300 -0.090 0.000 0.887 825 V CB 1.744 33.484 31.823 -0.140 0.000 0.991 825 V HN 0.758 nan 8.190 nan 0.000 0.434 826 E N 2.554 122.714 120.200 -0.068 0.000 2.491 826 E HA 0.321 4.676 4.350 0.007 0.000 0.250 826 E C 1.057 177.612 176.600 -0.075 0.000 1.061 826 E CA 1.404 57.761 56.400 -0.072 0.000 0.942 826 E CB 0.558 30.230 29.700 -0.046 0.000 0.957 826 E HN 1.062 nan 8.360 nan 0.000 0.480 827 G N 4.594 113.336 108.800 -0.097 0.000 2.612 827 G HA2 -0.199 3.765 3.960 0.007 0.000 0.200 827 G HA3 -0.199 3.765 3.960 0.007 0.000 0.200 827 G C 0.436 175.280 174.900 -0.093 0.000 1.053 827 G CA -0.085 44.968 45.100 -0.080 0.000 0.707 827 G HN 0.495 nan 8.290 nan 0.000 0.497 828 E N 0.880 121.017 120.200 -0.105 0.000 2.405 828 E HA 0.551 4.906 4.350 0.007 0.000 0.253 828 E C 0.100 176.622 176.600 -0.131 0.000 1.257 828 E CA -0.241 56.092 56.400 -0.111 0.000 0.960 828 E CB 0.553 30.182 29.700 -0.118 0.000 1.077 828 E HN 0.280 nan 8.360 nan 0.000 0.512 829 K N 0.447 120.750 120.400 -0.162 0.000 2.118 829 K HA 0.450 4.774 4.320 0.007 0.000 0.254 829 K C -0.743 175.649 176.600 -0.348 0.000 0.961 829 K CA -0.658 55.489 56.287 -0.233 0.000 0.876 829 K CB 1.627 33.975 32.500 -0.253 0.000 1.077 829 K HN 0.299 nan 8.250 nan 0.000 0.440 830 V N -1.117 118.565 119.914 -0.388 0.000 2.876 830 V HA 0.448 4.572 4.120 0.007 0.000 0.312 830 V C -1.289 174.429 176.094 -0.626 0.000 1.085 830 V CA -1.110 60.886 62.300 -0.507 0.000 0.945 830 V CB 1.017 32.637 31.823 -0.338 0.000 1.017 830 V HN 0.532 nan 8.190 nan 0.000 0.428 831 Y N 1.991 121.784 120.300 -0.845 0.000 2.335 831 Y HA 0.654 5.208 4.550 0.008 0.000 0.331 831 Y C 0.432 175.841 175.900 -0.818 0.000 1.094 831 Y CA -0.496 57.013 58.100 -0.985 0.000 1.253 831 Y CB 1.538 38.987 38.460 -1.684 0.000 1.203 831 Y HN 0.568 nan 8.280 nan 0.000 0.508 832 V N 5.760 125.544 119.914 -0.217 0.000 2.495 832 V HA 0.495 4.619 4.120 0.007 0.000 0.298 832 V C -0.337 175.819 176.094 0.102 0.000 1.031 832 V CA -0.999 61.277 62.300 -0.040 0.000 0.871 832 V CB 1.757 33.608 31.823 0.047 0.000 0.988 832 V HN 0.576 nan 8.190 nan 0.000 0.432 833 L N 6.294 127.632 121.223 0.191 0.000 2.370 833 L HA 0.634 4.978 4.340 0.007 0.000 0.266 833 L C -2.607 174.378 176.870 0.191 0.000 1.002 833 L CA -1.828 53.141 54.840 0.215 0.000 0.818 833 L CB 3.497 45.721 42.059 0.275 0.000 1.325 833 L HN 0.427 nan 8.230 nan 0.000 0.418 834 P HA 0.385 nan 4.420 nan 0.000 0.288 834 P C -1.275 176.130 177.300 0.174 0.000 1.267 834 P CA -0.402 62.849 63.100 0.252 0.000 0.815 834 P CB 1.329 33.193 31.700 0.274 0.000 0.989 835 L N 2.744 124.075 121.223 0.180 0.000 2.334 835 L HA 0.537 4.881 4.340 0.007 0.000 0.272 835 L C 1.228 178.249 176.870 0.252 0.000 1.020 835 L CA -1.056 53.919 54.840 0.225 0.000 0.812 835 L CB 1.226 43.419 42.059 0.222 0.000 1.264 835 L HN 0.215 nan 8.230 nan 0.000 0.439 836 R N 0.745 121.458 120.500 0.355 0.000 2.582 836 R HA 0.171 4.515 4.340 0.007 0.000 0.271 836 R C -0.230 176.258 176.300 0.313 0.000 1.078 836 R CA -0.675 55.635 56.100 0.350 0.000 1.127 836 R CB 0.582 31.138 30.300 0.426 0.000 1.038 836 R HN 0.561 nan 8.270 nan 0.000 0.500 837 E N 0.286 120.627 120.200 0.234 0.000 2.653 837 E HA -0.135 4.219 4.350 0.007 0.000 0.264 837 E C 0.589 177.275 176.600 0.144 0.000 0.949 837 E CA 1.219 57.717 56.400 0.164 0.000 0.953 837 E CB 0.216 30.003 29.700 0.144 0.000 0.925 837 E HN 0.846 nan 8.360 nan 0.000 0.475 838 G N 3.431 112.235 108.800 0.007 0.000 2.198 838 G HA2 -0.293 3.671 3.960 0.007 0.000 0.260 838 G HA3 -0.293 3.671 3.960 0.007 0.000 0.260 838 G C 0.057 174.633 174.900 -0.539 0.000 1.025 838 G CA 0.379 45.407 45.100 -0.121 0.000 0.769 838 G HN 0.702 nan 8.290 nan 0.000 0.507 839 N N 0.053 118.334 118.700 -0.699 0.000 2.482 839 N HA 0.296 5.041 4.740 0.007 0.000 0.260 839 N C -0.951 174.037 175.510 -0.869 0.000 1.236 839 N CA -1.169 51.075 53.050 -1.345 0.000 0.938 839 N CB 1.155 39.311 38.487 -0.551 0.000 1.128 839 N HN 0.149 nan 8.380 nan 0.000 0.448 840 P HA -0.039 nan 4.420 nan 0.000 0.231 840 P C -0.146 176.792 177.300 -0.605 0.000 1.158 840 P CA 0.744 63.416 63.100 -0.714 0.000 0.763 840 P CB 0.033 31.291 31.700 -0.738 0.000 0.805 841 F N -0.283 119.520 119.950 -0.246 0.000 2.368 841 F HA 0.452 4.983 4.527 0.007 0.000 0.308 841 F C 2.341 178.066 175.800 -0.124 0.000 1.198 841 F CA -0.154 57.755 58.000 -0.152 0.000 1.130 841 F CB -0.733 38.196 39.000 -0.118 0.000 1.300 841 F HN -0.242 nan 8.300 nan 0.000 0.537 842 G N -0.573 108.297 108.800 0.116 0.000 2.433 842 G HA2 -0.106 3.858 3.960 0.007 0.000 0.216 842 G HA3 -0.106 3.858 3.960 0.007 0.000 0.216 842 G C 0.338 175.282 174.900 0.073 0.000 1.186 842 G CA 0.779 45.921 45.100 0.070 0.000 0.779 842 G HN 0.522 nan 8.290 nan 0.000 0.543 843 D N -1.235 119.201 120.400 0.060 0.000 2.616 843 D HA 0.243 4.887 4.640 0.007 0.000 0.260 843 D C 1.049 177.383 176.300 0.056 0.000 1.158 843 D CA -0.458 53.566 54.000 0.041 0.000 1.085 843 D CB 1.131 41.919 40.800 -0.019 0.000 1.222 843 D HN 0.206 nan 8.370 nan 0.000 0.626 844 K N -0.989 119.448 120.400 0.062 0.000 2.444 844 K HA 0.177 4.501 4.320 0.007 0.000 0.193 844 K C 0.275 176.940 176.600 0.108 0.000 1.024 844 K CA -0.102 56.256 56.287 0.118 0.000 1.077 844 K CB -0.461 32.146 32.500 0.178 0.000 0.833 844 K HN 0.399 nan 8.250 nan 0.000 0.517 845 C N -1.414 117.864 119.300 -0.036 0.000 3.312 845 C HA 0.756 5.221 4.460 0.007 0.000 0.332 845 C C -1.353 173.521 174.990 -0.194 0.000 1.340 845 C CA -1.346 57.596 59.018 -0.127 0.000 1.265 845 C CB 0.759 28.207 27.740 -0.487 0.000 1.563 845 C HN 0.406 nan 8.230 nan 0.000 0.471 846 I N 1.578 122.063 120.570 -0.141 0.000 2.656 846 I HA 0.741 4.915 4.170 0.007 0.000 0.292 846 I C -0.116 176.034 176.117 0.054 0.000 1.144 846 I CA -0.192 61.041 61.300 -0.112 0.000 1.038 846 I CB 1.949 39.795 38.000 -0.257 0.000 1.244 846 I HN 1.318 nan 8.210 nan 0.000 0.420 847 A N 5.737 128.579 122.820 0.037 0.000 2.350 847 A HA 0.957 5.281 4.320 0.007 0.000 0.318 847 A C -1.725 175.858 177.584 -0.002 0.000 1.132 847 A CA -0.435 51.601 52.037 -0.002 0.000 0.811 847 A CB 1.123 20.049 19.000 -0.124 0.000 1.313 847 A HN 0.934 nan 8.150 nan 0.000 0.454 848 W N -0.959 120.116 121.300 -0.375 0.000 2.989 848 W HA 0.654 5.317 4.660 0.006 0.000 0.344 848 W C -3.476 172.820 176.519 -0.370 0.000 1.233 848 W CA -2.176 54.754 57.345 -0.693 0.000 1.187 848 W CB 0.260 29.317 29.460 -0.671 0.000 1.443 848 W HN 0.436 nan 8.180 nan 0.000 0.573 849 P HA 0.121 nan 4.420 nan 0.000 0.267 849 P C 0.315 177.381 177.300 -0.391 0.000 1.209 849 P CA 0.270 63.210 63.100 -0.267 0.000 0.763 849 P CB 1.014 32.667 31.700 -0.078 0.000 0.816 850 S N 2.462 117.761 115.700 -0.669 0.000 2.572 850 S HA 0.333 4.808 4.470 0.007 0.000 0.267 850 S C 1.429 175.751 174.600 -0.465 0.000 1.361 850 S CA 0.478 58.019 58.200 -1.098 0.000 1.009 850 S CB -0.450 62.090 63.200 -1.101 0.000 0.888 850 S HN 0.893 nan 8.310 nan 0.000 0.553 851 G N 0.749 109.379 108.800 -0.284 0.000 5.426 851 G HA2 -0.343 3.621 3.960 0.007 0.000 0.297 851 G HA3 -0.343 3.621 3.960 0.007 0.000 0.297 851 G C 0.573 175.620 174.900 0.245 0.000 1.422 851 G CA 0.983 46.115 45.100 0.054 0.000 0.938 851 G HN 2.121 nan 8.290 nan 0.000 0.754 852 T N 2.100 116.773 114.554 0.199 0.000 2.856 852 T HA 0.395 4.749 4.350 0.007 0.000 0.329 852 T C 0.560 175.501 174.700 0.402 0.000 1.094 852 T CA 0.997 63.250 62.100 0.254 0.000 1.112 852 T CB 1.026 70.028 68.868 0.223 0.000 1.009 852 T HN 1.224 nan 8.240 nan 0.000 0.550 853 E N 2.753 123.124 120.200 0.284 0.000 2.343 853 E HA 0.259 4.613 4.350 0.007 0.000 0.269 853 E C 0.124 176.832 176.600 0.180 0.000 1.047 853 E CA -0.783 55.787 56.400 0.284 0.000 0.874 853 E CB 0.758 30.580 29.700 0.202 0.000 1.033 853 E HN 0.750 nan 8.360 nan 0.000 0.409 854 I N 1.102 121.632 120.570 -0.066 0.000 2.836 854 I HA 0.039 4.213 4.170 0.007 0.000 0.285 854 I C 0.554 176.627 176.117 -0.074 0.000 1.174 854 I CA -0.638 60.478 61.300 -0.308 0.000 1.405 854 I CB 0.079 37.617 38.000 -0.770 0.000 1.385 854 I HN 0.396 nan 8.210 nan 0.000 0.594 855 T N 2.019 116.581 114.554 0.014 0.000 2.916 855 T HA 0.012 4.366 4.350 0.007 0.000 0.303 855 T C 0.723 175.417 174.700 -0.011 0.000 1.025 855 T CA -0.522 61.598 62.100 0.033 0.000 1.142 855 T CB 0.536 69.442 68.868 0.063 0.000 0.947 855 T HN 0.520 nan 8.240 nan 0.000 0.544 856 D N 1.466 121.861 120.400 -0.008 0.000 2.239 856 D HA -0.123 4.522 4.640 0.007 0.000 0.202 856 D C 1.860 178.151 176.300 -0.015 0.000 0.993 856 D CA 0.882 54.870 54.000 -0.020 0.000 0.874 856 D CB -0.321 40.474 40.800 -0.009 0.000 0.922 856 D HN 0.538 nan 8.370 nan 0.000 0.464 857 L N -0.558 120.663 121.223 -0.003 0.000 2.551 857 L HA -0.129 4.215 4.340 0.007 0.000 0.230 857 L C 1.582 178.455 176.870 0.005 0.000 1.163 857 L CA 0.541 55.379 54.840 -0.003 0.000 0.826 857 L CB -0.026 42.030 42.059 -0.005 0.000 0.943 857 L HN 0.019 nan 8.230 nan 0.000 0.452 858 I N -2.926 117.650 120.570 0.010 0.000 4.724 858 I HA -0.085 4.089 4.170 0.007 0.000 0.398 858 I C 1.604 177.738 176.117 0.028 0.000 1.074 858 I CA 0.226 61.562 61.300 0.060 0.000 1.395 858 I CB 0.010 38.068 38.000 0.097 0.000 2.372 858 I HN -0.093 nan 8.210 nan 0.000 0.746 859 K N 1.003 121.366 120.400 -0.062 0.000 2.002 859 K HA -0.177 4.147 4.320 0.007 0.000 0.209 859 K C 1.247 177.773 176.600 -0.123 0.000 1.048 859 K CA 2.361 58.549 56.287 -0.165 0.000 0.930 859 K CB -0.018 32.360 32.500 -0.204 0.000 0.714 859 K HN 0.219 nan 8.250 nan 0.000 0.438 860 D N 1.322 121.681 120.400 -0.068 0.000 2.133 860 D HA -0.207 4.437 4.640 0.007 0.000 0.192 860 D C 1.636 177.952 176.300 0.027 0.000 1.001 860 D CA 1.494 55.468 54.000 -0.042 0.000 0.844 860 D CB -0.453 40.325 40.800 -0.037 0.000 0.944 860 D HN 0.339 nan 8.370 nan 0.000 0.447 861 D N 0.028 120.481 120.400 0.089 0.000 2.117 861 D HA -0.076 4.569 4.640 0.007 0.000 0.198 861 D C 2.338 178.879 176.300 0.403 0.000 0.982 861 D CA 0.463 54.607 54.000 0.239 0.000 0.828 861 D CB -0.036 40.853 40.800 0.148 0.000 0.967 861 D HN 0.067 nan 8.370 nan 0.000 0.464 862 V N 1.881 121.982 119.914 0.313 0.000 2.255 862 V HA -0.260 3.864 4.120 0.007 0.000 0.247 862 V C 2.748 178.919 176.094 0.129 0.000 1.051 862 V CA 1.327 63.776 62.300 0.249 0.000 1.018 862 V CB -0.632 31.179 31.823 -0.019 0.000 0.641 862 V HN 0.186 nan 8.190 nan 0.000 0.445 863 L N -0.691 120.519 121.223 -0.021 0.000 2.081 863 L HA -0.270 4.074 4.340 0.007 0.000 0.212 863 L C 2.602 179.495 176.870 0.039 0.000 1.080 863 L CA 2.118 56.924 54.840 -0.056 0.000 0.754 863 L CB -0.946 41.033 42.059 -0.134 0.000 0.893 863 L HN 0.481 nan 8.230 nan 0.000 0.433 864 H N -1.049 118.008 119.070 -0.022 0.000 2.395 864 H HA -0.155 4.405 4.556 0.007 0.000 0.299 864 H C 1.413 176.588 175.328 -0.257 0.000 1.070 864 H CA 1.646 57.600 56.048 -0.156 0.000 1.356 864 H CB 0.107 29.736 29.762 -0.221 0.000 1.401 864 H HN 0.383 nan 8.280 nan 0.000 0.524 865 W N 0.656 122.042 121.300 0.143 0.000 3.316 865 W HA 0.234 4.898 4.660 0.008 0.000 0.327 865 W C 0.546 177.106 176.519 0.068 0.000 1.232 865 W CA -0.526 56.894 57.345 0.126 0.000 1.805 865 W CB 0.124 29.724 29.460 0.234 0.000 1.090 865 W HN -0.062 nan 8.180 nan 0.000 0.654 866 M N 1.593 121.262 119.600 0.114 0.000 2.261 866 M HA -0.090 4.394 4.480 0.007 0.000 0.350 866 M C 0.177 176.436 176.300 -0.068 0.000 1.343 866 M CA 1.022 56.282 55.300 -0.067 0.000 1.003 866 M CB 0.258 32.627 32.600 -0.385 0.000 1.848 866 M HN -0.183 nan 8.290 nan 0.000 0.456 867 D N 3.306 123.701 120.400 -0.009 0.000 2.456 867 D HA 0.097 4.741 4.640 0.007 0.000 0.219 867 D C 0.143 176.477 176.300 0.057 0.000 1.126 867 D CA 0.042 54.086 54.000 0.073 0.000 0.890 867 D CB 0.337 41.218 40.800 0.134 0.000 1.025 867 D HN 0.430 nan 8.370 nan 0.000 0.511 868 Y N 1.195 121.568 120.300 0.122 0.000 2.263 868 Y HA -0.160 4.395 4.550 0.008 0.000 0.292 868 Y C 2.526 178.547 175.900 0.203 0.000 1.130 868 Y CA 1.013 59.232 58.100 0.197 0.000 1.179 868 Y CB -0.105 38.447 38.460 0.152 0.000 0.998 868 Y HN 0.301 nan 8.280 nan 0.000 0.532 869 T N -0.641 114.076 114.554 0.272 0.000 2.708 869 T HA -0.166 4.189 4.350 0.007 0.000 0.266 869 T C 2.107 176.877 174.700 0.116 0.000 1.037 869 T CA 1.640 63.833 62.100 0.154 0.000 1.146 869 T CB -0.750 68.186 68.868 0.112 0.000 0.865 869 T HN 0.082 nan 8.240 nan 0.000 0.435 870 V N 1.452 121.437 119.914 0.119 0.000 2.307 870 V HA -0.089 4.036 4.120 0.007 0.000 0.245 870 V C 2.429 178.576 176.094 0.089 0.000 1.045 870 V CA 1.194 63.545 62.300 0.085 0.000 1.024 870 V CB -0.719 31.154 31.823 0.084 0.000 0.651 870 V HN 0.291 nan 8.190 nan 0.000 0.449 871 L N -0.321 120.985 121.223 0.139 0.000 2.043 871 L HA -0.175 4.170 4.340 0.007 0.000 0.212 871 L C 2.176 179.156 176.870 0.183 0.000 1.075 871 L CA 1.939 56.886 54.840 0.179 0.000 0.752 871 L CB -0.692 41.503 42.059 0.227 0.000 0.891 871 L HN 0.296 nan 8.230 nan 0.000 0.432 872 L N -0.639 120.649 121.223 0.108 0.000 2.109 872 L HA -0.135 4.209 4.340 0.007 0.000 0.207 872 L C 2.431 179.299 176.870 -0.004 0.000 1.086 872 L CA 2.004 56.745 54.840 -0.165 0.000 0.760 872 L CB -0.725 41.027 42.059 -0.512 0.000 0.910 872 L HN 0.499 nan 8.230 nan 0.000 0.437 873 E N -0.562 119.649 120.200 0.018 0.000 2.112 873 E HA -0.160 4.194 4.350 0.007 0.000 0.190 873 E C 2.151 178.746 176.600 -0.008 0.000 0.979 873 E CA 1.229 57.637 56.400 0.013 0.000 0.814 873 E CB -0.074 29.637 29.700 0.017 0.000 0.762 873 E HN 0.380 nan 8.360 nan 0.000 0.460 874 K N -0.611 119.792 120.400 0.005 0.000 2.002 874 K HA -0.105 4.219 4.320 0.007 0.000 0.209 874 K C 2.187 178.782 176.600 -0.009 0.000 1.048 874 K CA 2.011 58.284 56.287 -0.022 0.000 0.930 874 K CB -0.169 32.314 32.500 -0.028 0.000 0.714 874 K HN 0.395 nan 8.250 nan 0.000 0.438 875 T N -2.544 112.043 114.554 0.055 0.000 3.039 875 T HA 0.031 4.385 4.350 0.007 0.000 0.250 875 T C 1.511 176.284 174.700 0.120 0.000 1.052 875 T CA 0.035 62.189 62.100 0.090 0.000 1.125 875 T CB -0.026 68.941 68.868 0.164 0.000 0.908 875 T HN 0.126 nan 8.240 nan 0.000 0.473 876 F N 1.115 121.035 119.950 -0.049 0.000 2.536 876 F HA 0.468 4.999 4.527 0.007 0.000 0.278 876 F C 1.713 177.421 175.800 -0.153 0.000 0.945 876 F CA -0.387 57.571 58.000 -0.071 0.000 1.244 876 F CB 0.047 39.042 39.000 -0.008 0.000 1.118 876 F HN -0.045 nan 8.300 nan 0.000 0.725 877 I N 0.715 121.187 120.570 -0.164 0.000 2.133 877 I HA -0.262 3.912 4.170 0.007 0.000 0.238 877 I C 2.372 178.233 176.117 -0.427 0.000 1.074 877 I CA 1.370 62.465 61.300 -0.342 0.000 1.342 877 I CB -0.698 37.253 38.000 -0.083 0.000 1.053 877 I HN 0.068 nan 8.210 nan 0.000 0.404 878 K N 0.628 120.873 120.400 -0.259 0.000 2.034 878 K HA -0.198 4.126 4.320 0.007 0.000 0.214 878 K C -0.183 176.209 176.600 -0.346 0.000 1.051 878 K CA 2.132 58.275 56.287 -0.240 0.000 0.931 878 K CB -1.217 31.195 32.500 -0.146 0.000 0.715 878 K HN 0.232 nan 8.250 nan 0.000 0.446 879 P HA -0.152 nan 4.420 nan 0.000 0.217 879 P C 1.278 177.924 177.300 -1.089 0.000 1.150 879 P CA 0.862 63.631 63.100 -0.552 0.000 0.832 879 P CB 0.095 31.547 31.700 -0.412 0.000 0.787 880 L N 0.205 120.782 121.223 -1.077 0.000 2.056 880 L HA -0.154 4.190 4.340 0.007 0.000 0.207 880 L C 2.340 178.728 176.870 -0.803 0.000 1.078 880 L CA 1.896 56.030 54.840 -1.175 0.000 0.749 880 L CB -1.253 40.157 42.059 -1.081 0.000 0.901 880 L HN -0.160 nan 8.230 nan 0.000 0.433 881 E N -0.102 119.707 120.200 -0.652 0.000 2.086 881 E HA -0.225 4.129 4.350 0.007 0.000 0.205 881 E C 2.109 178.564 176.600 -0.242 0.000 1.027 881 E CA 1.930 58.127 56.400 -0.340 0.000 0.830 881 E CB -1.098 28.466 29.700 -0.226 0.000 0.751 881 E HN 0.491 nan 8.360 nan 0.000 0.456 882 G N -0.407 108.218 108.800 -0.290 0.000 2.529 882 G HA2 -0.289 3.676 3.960 0.007 0.000 0.219 882 G HA3 -0.289 3.676 3.960 0.007 0.000 0.219 882 G C 1.376 176.266 174.900 -0.017 0.000 1.177 882 G CA 1.286 46.305 45.100 -0.135 0.000 0.773 882 G HN 0.301 nan 8.290 nan 0.000 0.573 883 F N 1.997 121.819 119.950 -0.213 0.000 2.091 883 F HA -0.132 4.399 4.527 0.007 0.000 0.299 883 F C 3.186 178.687 175.800 -0.499 0.000 1.103 883 F CA 1.528 59.270 58.000 -0.430 0.000 1.228 883 F CB -1.593 37.132 39.000 -0.458 0.000 0.984 883 F HN 0.324 nan 8.300 nan 0.000 0.477 884 T N -3.052 111.426 114.554 -0.126 0.000 2.770 884 T HA -0.126 4.228 4.350 0.007 0.000 0.263 884 T C 2.182 176.829 174.700 -0.088 0.000 1.039 884 T CA 1.436 63.467 62.100 -0.115 0.000 1.142 884 T CB -0.948 67.908 68.868 -0.020 0.000 0.868 884 T HN 0.128 nan 8.240 nan 0.000 0.435 885 S N 1.897 117.561 115.700 -0.059 0.000 2.380 885 S HA -0.070 4.404 4.470 0.007 0.000 0.229 885 S C 2.551 177.134 174.600 -0.027 0.000 1.043 885 S CA 1.292 59.471 58.200 -0.035 0.000 1.038 885 S CB -0.916 62.270 63.200 -0.024 0.000 0.872 885 S HN 0.793 nan 8.310 nan 0.000 0.456 886 A N 1.192 123.994 122.820 -0.030 0.000 1.855 886 A HA 0.202 4.526 4.320 0.007 0.000 0.215 886 A C 2.228 179.803 177.584 -0.016 0.000 1.191 886 A CA 1.585 53.632 52.037 0.017 0.000 0.613 886 A CB -0.962 18.090 19.000 0.087 0.000 0.829 886 A HN 0.541 nan 8.150 nan 0.000 0.442 887 A N -1.258 121.487 122.820 -0.126 0.000 2.235 887 A HA 0.257 4.581 4.320 0.007 0.000 0.208 887 A C 0.826 178.366 177.584 -0.074 0.000 1.172 887 A CA 0.765 52.739 52.037 -0.105 0.000 0.786 887 A CB -0.550 18.320 19.000 -0.217 0.000 0.804 887 A HN 0.513 nan 8.150 nan 0.000 0.479 888 K N -1.093 119.268 120.400 -0.065 0.000 3.393 888 K HA -0.137 4.188 4.320 0.007 0.000 0.272 888 K C -0.813 175.757 176.600 -0.051 0.000 1.004 888 K CA 0.576 56.833 56.287 -0.050 0.000 0.764 888 K CB -1.806 30.669 32.500 -0.042 0.000 1.373 888 K HN 0.520 nan 8.250 nan 0.000 0.458 889 L N 0.143 121.330 121.223 -0.059 0.000 2.327 889 L HA 0.486 4.831 4.340 0.007 0.000 0.258 889 L C -0.339 176.498 176.870 -0.057 0.000 1.024 889 L CA -1.095 53.714 54.840 -0.052 0.000 0.825 889 L CB 1.938 43.964 42.059 -0.054 0.000 1.386 889 L HN 0.086 nan 8.230 nan 0.000 0.417 890 D N 0.368 120.725 120.400 -0.071 0.000 2.308 890 D HA 0.191 4.835 4.640 0.007 0.000 0.242 890 D C -0.137 176.071 176.300 -0.153 0.000 1.059 890 D CA -0.197 53.715 54.000 -0.147 0.000 0.830 890 D CB 1.710 42.408 40.800 -0.171 0.000 1.161 890 D HN 0.439 nan 8.370 nan 0.000 0.494 891 Y N 0.249 120.414 120.300 -0.225 0.000 2.529 891 Y HA 0.305 4.860 4.550 0.007 0.000 0.290 891 Y C 0.151 175.818 175.900 -0.389 0.000 1.177 891 Y CA -0.156 57.749 58.100 -0.324 0.000 1.305 891 Y CB 0.430 38.581 38.460 -0.516 0.000 1.047 891 Y HN 0.230 nan 8.280 nan 0.000 0.522 892 E N 1.403 121.246 120.200 -0.595 0.000 2.415 892 E HA 0.144 4.498 4.350 0.007 0.000 0.302 892 E C -1.330 175.114 176.600 -0.260 0.000 0.907 892 E CA -0.697 55.463 56.400 -0.399 0.000 0.798 892 E CB 1.044 30.412 29.700 -0.555 0.000 1.315 892 E HN 0.201 nan 8.360 nan 0.000 0.396 893 K N 3.782 124.121 120.400 -0.103 0.000 2.504 893 K HA -0.031 4.294 4.320 0.007 0.000 0.278 893 K C -0.345 176.224 176.600 -0.052 0.000 1.025 893 K CA 0.552 56.812 56.287 -0.046 0.000 1.093 893 K CB 0.507 33.021 32.500 0.023 0.000 0.873 893 K HN 0.354 nan 8.250 nan 0.000 0.483 894 K N 2.159 122.529 120.400 -0.050 0.000 2.295 894 K HA 0.097 4.422 4.320 0.007 0.000 0.270 894 K C -0.055 176.546 176.600 0.002 0.000 1.011 894 K CA -0.368 55.893 56.287 -0.043 0.000 0.953 894 K CB 0.935 33.406 32.500 -0.048 0.000 0.956 894 K HN 0.691 nan 8.250 nan 0.000 0.477 895 A N 1.980 124.791 122.820 -0.014 0.000 2.466 895 A HA 0.265 4.590 4.320 0.007 0.000 0.238 895 A C -0.179 177.374 177.584 -0.052 0.000 1.074 895 A CA 0.270 52.300 52.037 -0.013 0.000 0.774 895 A CB 0.427 19.410 19.000 -0.029 0.000 1.015 895 A HN 0.646 nan 8.150 nan 0.000 0.498 896 S N -0.747 114.893 115.700 -0.099 0.000 2.790 896 S HA 0.432 4.906 4.470 0.007 0.000 0.292 896 S C 0.844 175.192 174.600 -0.420 0.000 1.197 896 S CA -0.644 57.375 58.200 -0.301 0.000 0.851 896 S CB 0.554 63.482 63.200 -0.453 0.000 1.217 896 S HN 0.494 nan 8.310 nan 0.000 0.526 897 L N 0.816 121.618 121.223 -0.701 0.000 2.093 897 L HA 0.016 4.361 4.340 0.007 0.000 0.208 897 L C 1.917 178.515 176.870 -0.453 0.000 1.085 897 L CA 2.054 56.568 54.840 -0.542 0.000 0.755 897 L CB -2.000 39.763 42.059 -0.494 0.000 0.904 897 L HN 0.646 nan 8.230 nan 0.000 0.435 898 F N 0.313 120.260 119.950 -0.005 0.000 2.365 898 F HA -0.054 4.477 4.527 0.007 0.000 0.300 898 F C 2.103 177.929 175.800 0.044 0.000 1.090 898 F CA 0.161 58.227 58.000 0.111 0.000 1.408 898 F CB -1.192 37.944 39.000 0.227 0.000 1.060 898 F HN 0.067 nan 8.300 nan 0.000 0.534 899 D N 0.650 121.102 120.400 0.087 0.000 2.311 899 D HA -0.170 4.474 4.640 0.007 0.000 0.212 899 D C 1.490 177.728 176.300 -0.103 0.000 0.972 899 D CA 0.921 54.953 54.000 0.053 0.000 0.887 899 D CB -0.320 40.489 40.800 0.015 0.000 0.915 899 D HN 0.305 nan 8.370 nan 0.000 0.497 900 M N 0.524 119.936 119.600 -0.313 0.000 3.700 900 M HA 0.076 4.560 4.480 0.007 0.000 0.190 900 M C -1.178 174.767 176.300 -0.591 0.000 1.422 900 M CA 0.224 55.263 55.300 -0.435 0.000 1.646 900 M CB -0.459 31.852 32.600 -0.483 0.000 1.154 900 M HN -0.306 nan 8.290 nan 0.000 0.506 901 F N -0.891 118.999 119.950 -0.100 0.000 2.569 901 F HA 0.343 4.875 4.527 0.007 0.000 0.312 901 F C -0.473 175.154 175.800 -0.289 0.000 1.109 901 F CA -1.642 56.290 58.000 -0.114 0.000 0.919 901 F CB 1.330 40.328 39.000 -0.004 0.000 1.211 901 F HN 0.021 nan 8.300 nan 0.000 0.446 902 D N 3.175 123.603 120.400 0.048 0.000 2.371 902 D HA 0.232 4.876 4.640 0.007 0.000 0.256 902 D C 0.044 176.327 176.300 -0.029 0.000 1.193 902 D CA 0.239 54.179 54.000 -0.100 0.000 0.881 902 D CB 0.242 41.041 40.800 -0.001 0.000 1.143 902 D HN -0.017 nan 8.370 nan 0.000 0.473 903 F N 0.000 119.997 119.950 0.079 0.000 2.286 903 F HA 0.000 4.531 4.527 0.007 0.000 0.279 903 F CA 0.000 58.032 58.000 0.053 0.000 1.383 903 F CB 0.000 39.029 39.000 0.049 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574