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 1waf_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 FDIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIDVYR 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 LLINSLYGAL 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 0.000 176.339 176.300 0.065 0.000 1.140 1 M CA 0.000 55.327 55.300 0.044 0.000 0.988 1 M CB 0.000 32.639 32.600 0.066 0.000 1.302 2 K N 3.900 124.322 120.400 0.036 0.000 2.336 2 K HA 0.120 4.443 4.320 0.005 0.000 0.290 2 K C 0.449 177.177 176.600 0.213 0.000 1.067 2 K CA -0.037 56.270 56.287 0.032 0.000 0.962 2 K CB 0.421 32.860 32.500 -0.101 0.000 1.008 2 K HN 0.573 nan 8.250 nan 0.000 0.467 3 E N 2.906 123.298 120.200 0.319 0.000 2.478 3 E HA 0.053 4.406 4.350 0.005 0.000 0.262 3 E C -0.142 177.044 176.600 0.976 0.000 1.243 3 E CA -0.157 56.604 56.400 0.602 0.000 1.039 3 E CB 0.137 30.133 29.700 0.493 0.000 0.983 3 E HN 0.364 nan 8.360 nan 0.000 0.479 4 F N -2.644 117.669 119.950 0.605 0.000 2.725 4 F HA 0.310 4.839 4.527 0.004 0.000 0.311 4 F C -1.162 174.955 175.800 0.529 0.000 1.121 4 F CA -1.895 56.509 58.000 0.673 0.000 0.978 4 F CB -0.223 39.022 39.000 0.407 0.000 1.274 4 F HN 0.517 nan 8.300 nan 0.000 0.440 5 Y N 1.533 121.820 120.300 -0.022 0.000 2.223 5 Y HA 0.685 5.238 4.550 0.005 0.000 0.352 5 Y C -0.316 175.569 175.900 -0.026 0.000 1.293 5 Y CA -0.618 57.446 58.100 -0.060 0.000 1.601 5 Y CB -0.338 37.938 38.460 -0.306 0.000 1.407 5 Y HN 0.629 nan 8.280 nan 0.000 0.639 6 L N -0.867 120.335 121.223 -0.035 0.000 2.923 6 L HA 0.245 4.588 4.340 0.005 0.000 0.161 6 L C 0.329 177.177 176.870 -0.036 0.000 1.202 6 L CA 1.429 56.189 54.840 -0.134 0.000 0.920 6 L CB -0.482 41.523 42.059 -0.091 0.000 1.773 6 L HN 0.998 nan 8.230 nan 0.000 0.532 7 T N -0.246 114.358 114.554 0.082 0.000 2.863 7 T HA 0.720 5.073 4.350 0.005 0.000 0.285 7 T C -0.712 174.079 174.700 0.152 0.000 1.009 7 T CA -0.543 61.624 62.100 0.111 0.000 0.989 7 T CB 1.877 70.806 68.868 0.103 0.000 1.004 7 T HN 0.209 nan 8.240 nan 0.000 0.455 8 V N -0.549 119.426 119.914 0.103 0.000 2.638 8 V HA 0.957 5.080 4.120 0.005 0.000 0.306 8 V C -1.005 175.118 176.094 0.048 0.000 1.052 8 V CA -0.833 61.468 62.300 0.000 0.000 0.885 8 V CB 1.375 33.109 31.823 -0.148 0.000 0.999 8 V HN 1.037 nan 8.190 nan 0.000 0.424 9 E N 1.857 122.101 120.200 0.074 0.000 2.383 9 E HA 0.464 4.816 4.350 0.005 0.000 0.275 9 E C -1.449 175.249 176.600 0.163 0.000 0.918 9 E CA -0.454 56.057 56.400 0.185 0.000 0.764 9 E CB 2.434 32.346 29.700 0.354 0.000 1.252 9 E HN 0.862 nan 8.360 nan 0.000 0.449 10 Q N 3.544 123.476 119.800 0.219 0.000 2.333 10 Q HA 0.560 4.903 4.340 0.005 0.000 0.268 10 Q C -1.141 174.955 176.000 0.160 0.000 1.007 10 Q CA -0.583 55.319 55.803 0.165 0.000 0.810 10 Q CB 0.848 29.683 28.738 0.161 0.000 1.264 10 Q HN 0.593 nan 8.270 nan 0.000 0.452 11 I N 1.611 122.249 120.570 0.113 0.000 2.569 11 I HA 0.652 4.825 4.170 0.005 0.000 0.290 11 I C 0.559 176.703 176.117 0.045 0.000 1.088 11 I CA -0.728 60.605 61.300 0.056 0.000 1.047 11 I CB 1.707 39.684 38.000 -0.037 0.000 1.237 11 I HN 0.866 nan 8.210 nan 0.000 0.421 12 G N 5.108 113.920 108.800 0.019 0.000 2.547 12 G HA2 -0.235 3.728 3.960 0.005 0.000 0.271 12 G HA3 -0.235 3.728 3.960 0.005 0.000 0.271 12 G C -0.094 174.784 174.900 -0.037 0.000 1.209 12 G CA 0.520 45.616 45.100 -0.006 0.000 0.959 12 G HN 0.741 nan 8.290 nan 0.000 0.563 13 D N 0.957 121.317 120.400 -0.066 0.000 2.368 13 D HA 0.365 5.007 4.640 0.005 0.000 0.218 13 D C 0.995 177.232 176.300 -0.105 0.000 1.112 13 D CA 0.983 54.923 54.000 -0.100 0.000 0.834 13 D CB 0.392 41.135 40.800 -0.096 0.000 0.953 13 D HN 0.821 nan 8.370 nan 0.000 0.505 14 S N -0.154 115.471 115.700 -0.125 0.000 2.526 14 S HA 0.520 4.993 4.470 0.005 0.000 0.293 14 S C -0.309 174.136 174.600 -0.259 0.000 1.092 14 S CA -0.876 57.202 58.200 -0.203 0.000 0.980 14 S CB 2.173 65.176 63.200 -0.329 0.000 1.048 14 S HN -0.172 nan 8.310 nan 0.000 0.483 15 I N 1.743 122.181 120.570 -0.220 0.000 2.713 15 I HA 0.514 4.686 4.170 0.005 0.000 0.300 15 I C -0.807 175.089 176.117 -0.367 0.000 1.009 15 I CA -0.979 60.199 61.300 -0.203 0.000 1.305 15 I CB 0.865 38.743 38.000 -0.204 0.000 1.430 15 I HN 0.738 nan 8.210 nan 0.000 0.546 16 F N 2.404 122.230 119.950 -0.208 0.000 2.562 16 F HA 0.341 4.871 4.527 0.004 0.000 0.319 16 F C -0.228 175.469 175.800 -0.172 0.000 1.154 16 F CA -0.644 57.207 58.000 -0.249 0.000 0.931 16 F CB 1.493 40.157 39.000 -0.560 0.000 1.198 16 F HN 0.408 nan 8.300 nan 0.000 0.444 17 E N 2.731 123.027 120.200 0.160 0.000 2.331 17 E HA 0.615 4.968 4.350 0.005 0.000 0.275 17 E C -1.486 175.345 176.600 0.386 0.000 0.895 17 E CA -1.221 55.295 56.400 0.192 0.000 0.753 17 E CB 2.042 31.762 29.700 0.034 0.000 1.216 17 E HN 0.456 nan 8.360 nan 0.000 0.434 18 R N 2.251 122.963 120.500 0.353 0.000 2.346 18 R HA 0.489 4.832 4.340 0.005 0.000 0.311 18 R C -1.028 175.478 176.300 0.343 0.000 0.983 18 R CA -0.766 55.521 56.100 0.312 0.000 0.880 18 R CB 0.919 31.301 30.300 0.137 0.000 1.100 18 R HN 0.728 nan 8.270 nan 0.000 0.453 19 Y N -0.531 119.780 120.300 0.019 0.000 2.725 19 Y HA 0.521 5.073 4.550 0.005 0.000 0.333 19 Y C -1.248 174.598 175.900 -0.090 0.000 1.242 19 Y CA -1.556 56.514 58.100 -0.050 0.000 1.059 19 Y CB 0.872 39.411 38.460 0.131 0.000 1.306 19 Y HN 0.177 nan 8.280 nan 0.000 0.454 20 I N 2.903 123.335 120.570 -0.231 0.000 2.460 20 I HA 0.251 4.424 4.170 0.005 0.000 0.298 20 I C -0.364 175.814 176.117 0.102 0.000 0.989 20 I CA -0.539 60.643 61.300 -0.195 0.000 1.173 20 I CB 1.385 39.266 38.000 -0.199 0.000 1.338 20 I HN 0.879 nan 8.210 nan 0.000 0.456 21 D N 3.105 123.545 120.400 0.067 0.000 2.466 21 D HA 0.148 4.791 4.640 0.005 0.000 0.262 21 D C 0.837 177.253 176.300 0.193 0.000 1.177 21 D CA -0.531 53.596 54.000 0.211 0.000 1.035 21 D CB 0.366 41.272 40.800 0.176 0.000 1.105 21 D HN 0.369 nan 8.370 nan 0.000 0.551 22 S N -0.742 115.061 115.700 0.172 0.000 2.484 22 S HA -0.179 4.293 4.470 0.005 0.000 0.250 22 S C 0.486 175.143 174.600 0.096 0.000 0.995 22 S CA 0.838 59.113 58.200 0.125 0.000 0.967 22 S CB -1.024 62.229 63.200 0.088 0.000 0.752 22 S HN 0.677 nan 8.310 nan 0.000 0.517 23 N N -0.511 118.242 118.700 0.089 0.000 2.726 23 N HA 0.303 5.045 4.740 0.005 0.000 0.253 23 N C 0.576 176.120 175.510 0.058 0.000 1.530 23 N CA 0.075 53.163 53.050 0.064 0.000 0.772 23 N CB 0.387 38.902 38.487 0.046 0.000 1.220 23 N HN 0.192 nan 8.380 nan 0.000 0.508 24 G N 1.382 110.229 108.800 0.079 0.000 2.271 24 G HA2 -0.391 3.572 3.960 0.005 0.000 0.277 24 G HA3 -0.391 3.572 3.960 0.005 0.000 0.277 24 G C 0.155 175.062 174.900 0.011 0.000 1.004 24 G CA 0.604 45.742 45.100 0.064 0.000 0.679 24 G HN 0.582 nan 8.290 nan 0.000 0.540 25 R N 0.668 121.158 120.500 -0.017 0.000 2.254 25 R HA 0.302 4.644 4.340 0.005 0.000 0.318 25 R C 0.306 176.498 176.300 -0.180 0.000 1.031 25 R CA -0.487 55.567 56.100 -0.076 0.000 0.905 25 R CB 0.895 31.159 30.300 -0.060 0.000 1.050 25 R HN 0.472 nan 8.270 nan 0.000 0.456 26 E N 4.191 124.276 120.200 -0.191 0.000 2.159 26 E HA -0.005 4.348 4.350 0.005 0.000 0.272 26 E C -0.452 175.965 176.600 -0.305 0.000 1.138 26 E CA 0.075 56.313 56.400 -0.270 0.000 0.915 26 E CB 0.470 30.057 29.700 -0.188 0.000 1.028 26 E HN 0.282 nan 8.360 nan 0.000 0.423 27 R N 2.165 122.332 120.500 -0.556 0.000 0.000 27 R HA 0.544 4.887 4.340 0.005 0.000 0.000 27 R C -1.112 175.035 176.300 -0.256 0.000 0.000 27 R CA -0.398 55.464 56.100 -0.396 0.000 0.000 27 R CB 1.980 32.084 30.300 -0.328 0.000 0.000 27 R HN 0.436 nan 8.270 nan 0.000 0.000 28 T N 0.791 115.424 114.554 0.131 0.000 2.901 28 T HA 0.686 5.039 4.350 0.005 0.000 0.293 28 T C -1.366 173.585 174.700 0.418 0.000 1.084 28 T CA -1.020 61.308 62.100 0.381 0.000 1.008 28 T CB 1.532 70.564 68.868 0.274 0.000 1.170 28 T HN 0.660 nan 8.240 nan 0.000 0.509 29 R N 0.336 121.050 120.500 0.357 0.000 2.594 29 R HA 0.512 4.855 4.340 0.005 0.000 0.265 29 R C -1.641 174.729 176.300 0.118 0.000 1.070 29 R CA -0.939 55.284 56.100 0.206 0.000 0.909 29 R CB 1.710 32.091 30.300 0.135 0.000 1.243 29 R HN 0.697 nan 8.270 nan 0.000 0.455 30 E N 3.033 123.235 120.200 0.002 0.000 2.173 30 E HA 0.250 4.603 4.350 0.005 0.000 0.249 30 E C -1.127 175.321 176.600 -0.252 0.000 0.923 30 E CA -0.693 55.519 56.400 -0.313 0.000 0.754 30 E CB 1.419 30.899 29.700 -0.367 0.000 1.177 30 E HN 0.431 nan 8.360 nan 0.000 0.430 31 V N 4.542 124.351 119.914 -0.176 0.000 2.364 31 V HA 0.114 4.237 4.120 0.005 0.000 0.272 31 V C 0.399 176.465 176.094 -0.047 0.000 1.036 31 V CA -0.533 61.737 62.300 -0.049 0.000 0.880 31 V CB 1.224 33.112 31.823 0.108 0.000 0.991 31 V HN 0.675 nan 8.190 nan 0.000 0.460 32 E N 4.751 124.920 120.200 -0.051 0.000 1.932 32 E HA 0.055 4.408 4.350 0.005 0.000 0.275 32 E C -0.933 175.702 176.600 0.059 0.000 1.159 32 E CA -0.545 55.833 56.400 -0.036 0.000 0.905 32 E CB 0.258 29.918 29.700 -0.066 0.000 1.059 32 E HN 0.620 nan 8.360 nan 0.000 0.400 33 Y N 4.633 124.899 120.300 -0.057 0.000 2.511 33 Y HA 0.037 4.588 4.550 0.002 0.000 0.332 33 Y C -0.195 175.642 175.900 -0.105 0.000 1.177 33 Y CA -0.537 57.535 58.100 -0.045 0.000 1.422 33 Y CB 0.684 39.176 38.460 0.053 0.000 1.271 33 Y HN 0.290 nan 8.280 nan 0.000 0.550 34 K N 8.596 128.835 120.400 -0.268 0.000 2.360 34 K HA 0.256 4.578 4.320 0.005 0.000 0.235 34 K C -2.737 173.448 176.600 -0.692 0.000 1.077 34 K CA -1.702 54.369 56.287 -0.360 0.000 1.035 34 K CB 0.377 32.783 32.500 -0.156 0.000 1.623 34 K HN 0.496 nan 8.250 nan 0.000 0.462 35 P HA 0.001 nan 4.420 nan 0.000 0.266 35 P C -0.492 176.600 177.300 -0.346 0.000 1.195 35 P CA 0.031 62.660 63.100 -0.784 0.000 0.768 35 P CB 0.809 32.077 31.700 -0.719 0.000 0.838 36 S N 2.458 117.993 115.700 -0.276 0.000 2.454 36 S HA 0.609 5.081 4.470 0.005 0.000 0.306 36 S C 0.089 174.380 174.600 -0.515 0.000 1.100 36 S CA -0.601 57.407 58.200 -0.319 0.000 1.087 36 S CB 0.739 63.772 63.200 -0.278 0.000 1.019 36 S HN 0.360 nan 8.310 nan 0.000 0.480 37 L N 1.739 122.522 121.223 -0.733 0.000 2.250 37 L HA 0.761 5.104 4.340 0.005 0.000 0.252 37 L C -1.549 174.524 176.870 -1.327 0.000 1.054 37 L CA -0.889 53.429 54.840 -0.869 0.000 0.856 37 L CB 1.611 43.360 42.059 -0.517 0.000 1.443 37 L HN 0.570 nan 8.230 nan 0.000 0.427 38 F N -0.361 119.531 119.950 -0.097 0.000 2.643 38 F HA 0.820 5.350 4.527 0.005 0.000 0.314 38 F C -0.184 175.664 175.800 0.080 0.000 1.096 38 F CA -0.725 57.236 58.000 -0.065 0.000 0.953 38 F CB 1.960 40.892 39.000 -0.112 0.000 1.345 38 F HN 0.373 nan 8.300 nan 0.000 0.468 39 A N -0.296 122.688 122.820 0.273 0.000 2.574 39 A HA 0.671 4.994 4.320 0.005 0.000 0.297 39 A C -1.802 175.866 177.584 0.141 0.000 1.062 39 A CA -0.802 51.378 52.037 0.238 0.000 0.686 39 A CB 0.552 19.786 19.000 0.390 0.000 1.285 39 A HN 0.862 nan 8.150 nan 0.000 0.403 40 H N -0.038 119.126 119.070 0.157 0.000 2.897 40 H HA 0.338 4.893 4.556 -0.003 0.000 0.347 40 H C 0.833 176.222 175.328 0.101 0.000 1.068 40 H CA 1.401 57.517 56.048 0.112 0.000 1.426 40 H CB 0.454 30.268 29.762 0.088 0.000 1.410 40 H HN 0.918 nan 8.280 nan 0.000 0.597 41 C N 3.396 122.820 119.300 0.207 0.000 2.401 41 C HA 0.585 5.047 4.460 0.005 0.000 0.356 41 C C -2.296 172.764 174.990 0.117 0.000 1.192 41 C CA -2.452 56.649 59.018 0.138 0.000 2.028 41 C CB 1.349 29.149 27.740 0.099 0.000 2.344 41 C HN 0.644 nan 8.230 nan 0.000 0.525 42 P HA 0.094 nan 4.420 nan 0.000 0.265 42 P C 0.883 178.225 177.300 0.071 0.000 1.222 42 P CA 0.875 64.014 63.100 0.066 0.000 0.767 42 P CB 0.500 32.230 31.700 0.051 0.000 0.801 43 E N 2.545 122.788 120.200 0.073 0.000 2.485 43 E HA -0.251 4.102 4.350 0.005 0.000 0.251 43 E C 0.525 177.174 176.600 0.083 0.000 1.042 43 E CA 2.137 58.586 56.400 0.082 0.000 1.158 43 E CB -1.213 28.522 29.700 0.059 0.000 1.065 43 E HN 0.674 nan 8.360 nan 0.000 0.502 44 S N 2.366 118.103 115.700 0.061 0.000 2.711 44 S HA 0.124 4.597 4.470 0.005 0.000 0.335 44 S C 0.394 175.027 174.600 0.054 0.000 1.175 44 S CA 0.171 58.403 58.200 0.054 0.000 1.372 44 S CB 0.727 63.950 63.200 0.038 0.000 1.337 44 S HN 0.154 nan 8.310 nan 0.000 0.572 45 Q N 0.370 120.209 119.800 0.066 0.000 2.707 45 Q HA 0.767 5.110 4.340 0.005 0.000 0.307 45 Q C -1.580 174.458 176.000 0.063 0.000 0.934 45 Q CA -0.728 55.108 55.803 0.056 0.000 0.753 45 Q CB 2.286 31.055 28.738 0.052 0.000 1.478 45 Q HN 0.715 nan 8.270 nan 0.000 0.458 46 A N 0.594 123.439 122.820 0.042 0.000 2.343 46 A HA 0.894 5.217 4.320 0.005 0.000 0.308 46 A C -0.875 176.708 177.584 -0.001 0.000 1.092 46 A CA -0.109 51.953 52.037 0.042 0.000 0.751 46 A CB 0.985 20.000 19.000 0.025 0.000 1.203 46 A HN 0.698 nan 8.150 nan 0.000 0.452 47 T N -0.087 114.460 114.554 -0.011 0.000 2.686 47 T HA 0.456 4.809 4.350 0.005 0.000 0.308 47 T C -0.329 174.231 174.700 -0.235 0.000 1.667 47 T CA -1.031 60.952 62.100 -0.195 0.000 0.987 47 T CB 0.850 69.525 68.868 -0.322 0.000 1.652 47 T HN 0.714 nan 8.240 nan 0.000 0.496 48 K N -0.721 119.340 120.400 -0.566 0.000 2.727 48 K HA 0.660 4.983 4.320 0.005 0.000 0.299 48 K C -0.972 175.076 176.600 -0.920 0.000 0.996 48 K CA -1.168 54.828 56.287 -0.484 0.000 1.212 48 K CB -0.126 31.927 32.500 -0.744 0.000 1.529 48 K HN 0.646 nan 8.250 nan 0.000 0.646 49 Y N -0.193 119.876 120.300 -0.385 0.000 2.734 49 Y HA -0.176 4.375 4.550 0.002 0.000 0.086 49 Y C -1.092 174.212 175.900 -0.993 0.000 1.850 49 Y CA -0.272 57.465 58.100 -0.605 0.000 1.222 49 Y CB -2.288 35.807 38.460 -0.608 0.000 1.866 49 Y HN 0.422 nan 8.280 nan 0.000 0.293 50 F N 1.402 121.340 119.950 -0.020 0.000 2.596 50 F HA 0.443 4.969 4.527 -0.002 0.000 0.311 50 F C 0.211 175.995 175.800 -0.027 0.000 1.116 50 F CA -1.739 56.258 58.000 -0.003 0.000 0.957 50 F CB 1.417 40.420 39.000 0.005 0.000 1.250 50 F HN 0.324 nan 8.300 nan 0.000 0.444 51 D N 2.033 122.529 120.400 0.161 0.000 2.372 51 D HA 0.025 4.668 4.640 0.005 0.000 0.243 51 D C 1.265 177.598 176.300 0.056 0.000 1.297 51 D CA -0.326 53.721 54.000 0.078 0.000 0.958 51 D CB 0.598 41.460 40.800 0.103 0.000 1.114 51 D HN 0.479 nan 8.370 nan 0.000 0.496 52 I N -2.606 117.905 120.570 -0.098 0.000 3.555 52 I HA -0.026 4.147 4.170 0.005 0.000 0.304 52 I C -0.254 175.658 176.117 -0.343 0.000 1.246 52 I CA 0.498 61.661 61.300 -0.227 0.000 1.220 52 I CB -1.571 36.220 38.000 -0.347 0.000 1.001 52 I HN 0.252 nan 8.210 nan 0.000 0.513 53 Y N 1.189 121.502 120.300 0.022 0.000 2.432 53 Y HA 0.475 5.044 4.550 0.030 0.000 0.252 53 Y C 1.873 177.775 175.900 0.004 0.000 1.097 53 Y CA -0.003 58.098 58.100 0.002 0.000 1.250 53 Y CB 0.842 39.316 38.460 0.023 0.000 1.245 53 Y HN 0.347 nan 8.280 nan 0.000 0.522 54 G N 0.065 108.975 108.800 0.183 0.000 2.981 54 G HA2 -0.228 3.735 3.960 0.005 0.000 0.199 54 G HA3 -0.228 3.735 3.960 0.005 0.000 0.199 54 G C 0.165 175.193 174.900 0.213 0.000 1.586 54 G CA -0.502 44.667 45.100 0.115 0.000 1.162 54 G HN 0.054 nan 8.290 nan 0.000 0.538 55 K N 3.051 123.593 120.400 0.237 0.000 2.547 55 K HA 0.124 4.447 4.320 0.005 0.000 0.275 55 K C -2.077 174.742 176.600 0.364 0.000 1.001 55 K CA 0.773 57.229 56.287 0.283 0.000 1.111 55 K CB 0.509 33.203 32.500 0.324 0.000 0.832 55 K HN 0.338 nan 8.250 nan 0.000 0.485 56 P HA 0.250 nan 4.420 nan 0.000 0.284 56 P C -0.751 176.585 177.300 0.061 0.000 1.258 56 P CA -0.643 62.567 63.100 0.183 0.000 0.824 56 P CB 1.130 32.965 31.700 0.226 0.000 1.038 57 C N 0.218 119.451 119.300 -0.111 0.000 3.236 57 C HA 0.810 5.273 4.460 0.005 0.000 0.312 57 C C -0.228 174.790 174.990 0.047 0.000 1.374 57 C CA -0.374 58.640 59.018 -0.005 0.000 1.455 57 C CB 1.809 29.518 27.740 -0.051 0.000 1.834 57 C HN 0.660 nan 8.230 nan 0.000 0.460 58 T N -0.776 113.885 114.554 0.178 0.000 2.886 58 T HA 0.603 4.956 4.350 0.005 0.000 0.292 58 T C -0.653 174.225 174.700 0.296 0.000 1.012 58 T CA -0.632 61.613 62.100 0.243 0.000 0.982 58 T CB 1.267 70.217 68.868 0.137 0.000 1.018 58 T HN 0.823 nan 8.240 nan 0.000 0.451 59 R N 1.576 122.247 120.500 0.284 0.000 2.697 59 R HA 0.231 4.574 4.340 0.005 0.000 0.265 59 R C -0.485 175.680 176.300 -0.226 0.000 1.009 59 R CA 0.307 56.371 56.100 -0.060 0.000 1.099 59 R CB 0.334 30.613 30.300 -0.035 0.000 0.965 59 R HN 0.461 nan 8.270 nan 0.000 0.428 60 K N 4.402 124.537 120.400 -0.443 0.000 2.541 60 K HA 0.316 4.639 4.320 0.005 0.000 0.250 60 K C -1.286 175.088 176.600 -0.377 0.000 0.950 60 K CA -0.741 55.287 56.287 -0.432 0.000 0.805 60 K CB 1.701 33.900 32.500 -0.501 0.000 1.166 60 K HN 0.400 nan 8.250 nan 0.000 0.430 61 L N 3.530 124.485 121.223 -0.446 0.000 2.309 61 L HA 0.418 4.761 4.340 0.005 0.000 0.282 61 L C 0.274 176.821 176.870 -0.539 0.000 1.036 61 L CA -0.161 54.485 54.840 -0.324 0.000 0.806 61 L CB 0.838 42.751 42.059 -0.244 0.000 1.220 61 L HN 0.596 nan 8.230 nan 0.000 0.429 62 F N 1.866 121.622 119.950 -0.323 0.000 2.724 62 F HA 0.276 4.806 4.527 0.005 0.000 0.306 62 F C 1.593 177.252 175.800 -0.235 0.000 1.100 62 F CA 0.543 58.370 58.000 -0.288 0.000 1.255 62 F CB -0.021 38.786 39.000 -0.321 0.000 1.072 62 F HN 0.680 nan 8.300 nan 0.000 0.589 63 A N 0.469 123.225 122.820 -0.106 0.000 1.265 63 A HA -0.389 3.933 4.320 0.005 0.000 0.291 63 A C 1.086 178.607 177.584 -0.105 0.000 1.196 63 A CA 1.726 53.698 52.037 -0.109 0.000 1.094 63 A CB -2.073 16.865 19.000 -0.103 0.000 1.471 63 A HN 0.436 nan 8.150 nan 0.000 0.723 64 N N 0.906 119.560 118.700 -0.077 0.000 2.520 64 N HA 0.369 5.112 4.740 0.005 0.000 0.273 64 N C 0.728 176.160 175.510 -0.130 0.000 1.155 64 N CA 0.585 53.585 53.050 -0.083 0.000 0.967 64 N CB 1.091 39.549 38.487 -0.047 0.000 1.092 64 N HN 0.789 nan 8.380 nan 0.000 0.457 65 M N 3.971 123.445 119.600 -0.210 0.000 2.156 65 M HA -0.036 4.447 4.480 0.005 0.000 0.264 65 M C 1.891 177.949 176.300 -0.403 0.000 1.067 65 M CA 1.306 56.366 55.300 -0.399 0.000 1.131 65 M CB -0.032 32.329 32.600 -0.399 0.000 1.368 65 M HN 0.695 nan 8.290 nan 0.000 0.416 66 R N -0.519 119.855 120.500 -0.211 0.000 2.339 66 R HA -0.096 4.247 4.340 0.005 0.000 0.199 66 R C 0.961 177.235 176.300 -0.045 0.000 1.018 66 R CA 1.197 57.225 56.100 -0.120 0.000 1.036 66 R CB -0.508 29.761 30.300 -0.052 0.000 0.899 66 R HN 0.358 nan 8.270 nan 0.000 0.473 67 D N 1.538 121.932 120.400 -0.010 0.000 2.084 67 D HA -0.107 4.536 4.640 0.005 0.000 0.194 67 D C 1.907 178.295 176.300 0.147 0.000 0.990 67 D CA 1.814 55.904 54.000 0.150 0.000 0.826 67 D CB -0.300 40.684 40.800 0.306 0.000 0.971 67 D HN 0.342 nan 8.370 nan 0.000 0.453 68 A N 0.814 123.498 122.820 -0.226 0.000 1.894 68 A HA -0.304 4.018 4.320 0.005 0.000 0.220 68 A C 2.406 179.938 177.584 -0.086 0.000 1.237 68 A CA 3.292 54.857 52.037 -0.786 0.000 0.660 68 A CB -1.078 17.385 19.000 -0.896 0.000 0.835 68 A HN 0.314 nan 8.150 nan 0.000 0.461 69 S N -0.570 115.134 115.700 0.008 0.000 2.380 69 S HA -0.322 4.151 4.470 0.005 0.000 0.229 69 S C 2.018 176.682 174.600 0.107 0.000 1.043 69 S CA 1.877 60.139 58.200 0.102 0.000 1.038 69 S CB -0.464 62.793 63.200 0.095 0.000 0.872 69 S HN 0.690 nan 8.310 nan 0.000 0.456 70 Q N 0.036 119.907 119.800 0.119 0.000 2.119 70 Q HA -0.085 4.258 4.340 0.005 0.000 0.201 70 Q C 1.698 177.800 176.000 0.170 0.000 0.972 70 Q CA 1.483 57.360 55.803 0.124 0.000 0.847 70 Q CB -0.399 28.416 28.738 0.128 0.000 0.903 70 Q HN 0.722 nan 8.270 nan 0.000 0.433 71 W N -0.045 121.290 121.300 0.059 0.000 2.381 71 W HA -0.148 4.512 4.660 -0.001 0.000 0.321 71 W C 1.502 178.047 176.519 0.043 0.000 1.196 71 W CA 1.523 58.929 57.345 0.101 0.000 1.304 71 W CB -0.535 29.075 29.460 0.250 0.000 1.166 71 W HN 0.181 nan 8.180 nan 0.000 0.473 72 I N 1.581 122.288 120.570 0.227 0.000 2.087 72 I HA -0.415 3.757 4.170 0.005 0.000 0.240 72 I C 2.678 178.714 176.117 -0.135 0.000 1.054 72 I CA 2.142 63.435 61.300 -0.011 0.000 1.311 72 I CB -1.384 36.685 38.000 0.116 0.000 1.024 72 I HN -0.054 nan 8.210 nan 0.000 0.402 73 K N 0.902 121.280 120.400 -0.038 0.000 2.044 73 K HA -0.305 4.017 4.320 0.005 0.000 0.224 73 K C 2.311 178.849 176.600 -0.104 0.000 1.056 73 K CA 2.184 58.444 56.287 -0.045 0.000 0.962 73 K CB -0.643 31.855 32.500 -0.004 0.000 0.730 73 K HN 0.253 nan 8.250 nan 0.000 0.453 74 R N -0.454 119.967 120.500 -0.132 0.000 2.115 74 R HA -0.163 4.180 4.340 0.005 0.000 0.239 74 R C 2.547 178.699 176.300 -0.246 0.000 1.133 74 R CA 2.353 58.350 56.100 -0.171 0.000 0.935 74 R CB -0.240 29.953 30.300 -0.179 0.000 0.853 74 R HN 0.250 nan 8.270 nan 0.000 0.433 75 M N 0.560 119.903 119.600 -0.429 0.000 2.088 75 M HA -0.241 4.242 4.480 0.005 0.000 0.256 75 M C 1.973 178.127 176.300 -0.243 0.000 1.071 75 M CA 1.929 56.968 55.300 -0.435 0.000 1.097 75 M CB -1.054 31.153 32.600 -0.656 0.000 1.315 75 M HN 0.233 nan 8.290 nan 0.000 0.406 76 E N -0.101 119.979 120.200 -0.201 0.000 2.160 76 E HA -0.202 4.150 4.350 0.005 0.000 0.195 76 E C 1.692 178.231 176.600 -0.102 0.000 0.991 76 E CA 1.163 57.487 56.400 -0.125 0.000 0.810 76 E CB -0.139 29.503 29.700 -0.098 0.000 0.742 76 E HN 0.470 nan 8.360 nan 0.000 0.466 77 D N 0.733 121.069 120.400 -0.106 0.000 2.092 77 D HA -0.155 4.488 4.640 0.005 0.000 0.193 77 D C 2.014 178.268 176.300 -0.076 0.000 0.994 77 D CA 0.934 54.887 54.000 -0.079 0.000 0.828 77 D CB -0.248 40.508 40.800 -0.074 0.000 0.963 77 D HN 0.144 nan 8.370 nan 0.000 0.450 78 I N -0.178 120.337 120.570 -0.092 0.000 2.208 78 I HA -0.220 3.953 4.170 0.005 0.000 0.245 78 I C 1.839 177.915 176.117 -0.068 0.000 1.097 78 I CA 1.771 63.024 61.300 -0.078 0.000 1.363 78 I CB -0.005 37.939 38.000 -0.093 0.000 1.051 78 I HN 0.274 nan 8.210 nan 0.000 0.413 79 G N -0.346 108.407 108.800 -0.077 0.000 2.227 79 G HA2 -0.152 3.811 3.960 0.005 0.000 0.168 79 G HA3 -0.152 3.811 3.960 0.005 0.000 0.168 79 G C 0.129 174.995 174.900 -0.058 0.000 1.006 79 G CA -0.573 44.489 45.100 -0.063 0.000 0.684 79 G HN 0.145 nan 8.290 nan 0.000 0.489 80 L N 1.694 122.875 121.223 -0.070 0.000 2.349 80 L HA 0.414 4.756 4.340 0.005 0.000 0.275 80 L C 0.768 177.617 176.870 -0.035 0.000 1.115 80 L CA -0.465 54.349 54.840 -0.043 0.000 0.820 80 L CB 1.210 43.237 42.059 -0.054 0.000 1.135 80 L HN 0.189 nan 8.230 nan 0.000 0.445 81 E N 2.752 122.984 120.200 0.053 0.000 2.290 81 E HA 0.302 4.655 4.350 0.005 0.000 0.277 81 E C -0.820 175.835 176.600 0.091 0.000 1.035 81 E CA -0.474 55.978 56.400 0.086 0.000 0.873 81 E CB 1.217 31.035 29.700 0.196 0.000 1.029 81 E HN 0.608 nan 8.360 nan 0.000 0.419 82 A N 5.252 128.100 122.820 0.047 0.000 2.271 82 A HA 0.482 4.805 4.320 0.005 0.000 0.317 82 A C -0.920 176.746 177.584 0.137 0.000 1.245 82 A CA -0.606 51.517 52.037 0.144 0.000 0.857 82 A CB 0.406 19.460 19.000 0.090 0.000 1.175 82 A HN 0.499 nan 8.150 nan 0.000 0.512 83 L N 1.898 123.221 121.223 0.167 0.000 2.331 83 L HA 0.936 5.279 4.340 0.005 0.000 0.268 83 L C 0.876 177.854 176.870 0.179 0.000 1.015 83 L CA 0.713 55.623 54.840 0.117 0.000 0.807 83 L CB 1.532 43.620 42.059 0.049 0.000 1.293 83 L HN 1.340 nan 8.230 nan 0.000 0.451 84 G N 0.781 109.678 108.800 0.162 0.000 2.384 84 G HA2 0.085 4.047 3.960 0.005 0.000 0.668 84 G HA3 0.085 4.047 3.960 0.005 0.000 0.668 84 G C -1.240 173.635 174.900 -0.042 0.000 1.280 84 G CA -0.614 44.581 45.100 0.157 0.000 0.992 84 G HN 0.563 nan 8.290 nan 0.000 0.512 85 M N 2.402 121.890 119.600 -0.187 0.000 2.319 85 M HA 0.340 4.823 4.480 0.005 0.000 0.343 85 M C 1.565 177.584 176.300 -0.468 0.000 1.364 85 M CA -0.585 54.473 55.300 -0.402 0.000 1.292 85 M CB 0.165 32.258 32.600 -0.844 0.000 1.432 85 M HN 0.587 nan 8.290 nan 0.000 0.448 86 D N 1.614 121.769 120.400 -0.407 0.000 2.218 86 D HA -0.149 4.494 4.640 0.005 0.000 0.204 86 D C -0.131 175.657 176.300 -0.852 0.000 0.976 86 D CA 0.698 54.349 54.000 -0.581 0.000 0.853 86 D CB -0.366 40.265 40.800 -0.283 0.000 0.939 86 D HN 0.553 nan 8.370 nan 0.000 0.481 87 D N -0.463 119.614 120.400 -0.538 0.000 2.365 87 D HA 0.024 4.667 4.640 0.005 0.000 0.237 87 D C 0.412 176.489 176.300 -0.372 0.000 1.190 87 D CA -0.590 53.178 54.000 -0.388 0.000 0.867 87 D CB 0.294 40.991 40.800 -0.171 0.000 1.050 87 D HN -0.131 nan 8.370 nan 0.000 0.491 88 F N 3.004 122.965 119.950 0.020 0.000 2.186 88 F HA -0.070 4.463 4.527 0.011 0.000 0.299 88 F C 2.262 178.139 175.800 0.129 0.000 1.090 88 F CA 0.746 58.814 58.000 0.113 0.000 1.307 88 F CB -0.262 38.836 39.000 0.165 0.000 1.019 88 F HN 0.324 nan 8.300 nan 0.000 0.489 89 K N 0.650 121.175 120.400 0.209 0.000 2.044 89 K HA -0.183 4.140 4.320 0.005 0.000 0.210 89 K C 1.920 178.548 176.600 0.047 0.000 1.049 89 K CA 1.786 58.116 56.287 0.071 0.000 0.927 89 K CB -0.727 31.784 32.500 0.018 0.000 0.713 89 K HN 0.289 nan 8.250 nan 0.000 0.443 90 L N 0.416 121.656 121.223 0.027 0.000 2.275 90 L HA -0.112 4.231 4.340 0.005 0.000 0.215 90 L C 2.538 179.482 176.870 0.122 0.000 1.119 90 L CA 0.767 55.630 54.840 0.037 0.000 0.790 90 L CB -0.653 41.410 42.059 0.006 0.000 0.919 90 L HN 0.201 nan 8.230 nan 0.000 0.443 91 A N -0.148 122.734 122.820 0.103 0.000 1.840 91 A HA -0.237 4.086 4.320 0.005 0.000 0.214 91 A C 2.203 179.935 177.584 0.246 0.000 1.198 91 A CA 1.169 53.336 52.037 0.217 0.000 0.608 91 A CB -0.945 18.222 19.000 0.279 0.000 0.839 91 A HN 0.380 nan 8.150 nan 0.000 0.443 92 Y N 1.263 121.486 120.300 -0.129 0.000 2.002 92 Y HA -0.344 4.208 4.550 0.003 0.000 0.268 92 Y C 2.023 177.786 175.900 -0.227 0.000 1.177 92 Y CA 2.221 59.963 58.100 -0.597 0.000 1.111 92 Y CB -0.707 37.401 38.460 -0.586 0.000 0.952 92 Y HN 0.251 nan 8.280 nan 0.000 0.491 93 L N -0.730 120.680 121.223 0.311 0.000 1.978 93 L HA -0.358 3.985 4.340 0.005 0.000 0.218 93 L C 2.751 179.698 176.870 0.128 0.000 1.075 93 L CA 1.983 56.938 54.840 0.192 0.000 0.767 93 L CB -1.564 40.427 42.059 -0.113 0.000 0.890 93 L HN 0.324 nan 8.230 nan 0.000 0.434 94 S N -0.236 115.548 115.700 0.140 0.000 2.399 94 S HA -0.255 4.217 4.470 0.005 0.000 0.235 94 S C 1.472 176.099 174.600 0.043 0.000 1.063 94 S CA 2.202 60.473 58.200 0.120 0.000 1.070 94 S CB -0.368 63.018 63.200 0.309 0.000 0.904 94 S HN 0.505 nan 8.310 nan 0.000 0.456 95 D N 0.439 120.852 120.400 0.022 0.000 2.165 95 D HA -0.021 4.622 4.640 0.005 0.000 0.213 95 D C 2.372 178.600 176.300 -0.119 0.000 0.983 95 D CA 1.793 55.768 54.000 -0.040 0.000 0.881 95 D CB -1.591 39.172 40.800 -0.062 0.000 1.028 95 D HN 0.577 nan 8.370 nan 0.000 0.457 96 T N -0.516 113.890 114.554 -0.247 0.000 2.653 96 T HA -0.239 4.114 4.350 0.005 0.000 0.268 96 T C 0.694 175.082 174.700 -0.519 0.000 1.035 96 T CA 1.198 63.070 62.100 -0.379 0.000 1.154 96 T CB -0.710 67.902 68.868 -0.427 0.000 0.862 96 T HN 0.137 nan 8.240 nan 0.000 0.441 97 Y N 3.197 123.428 120.300 -0.114 0.000 2.854 97 Y HA 0.396 4.949 4.550 0.003 0.000 0.330 97 Y C 1.312 177.001 175.900 -0.352 0.000 1.037 97 Y CA -1.750 56.156 58.100 -0.322 0.000 1.263 97 Y CB -0.024 38.282 38.460 -0.256 0.000 1.120 97 Y HN 0.247 nan 8.280 nan 0.000 0.532 98 N N 0.772 119.349 118.700 -0.204 0.000 2.409 98 N HA -0.093 4.650 4.740 0.005 0.000 0.174 98 N C 0.206 175.694 175.510 -0.036 0.000 1.037 98 N CA 0.297 53.313 53.050 -0.056 0.000 0.898 98 N CB -0.031 38.488 38.487 0.052 0.000 1.010 98 N HN 0.477 nan 8.380 nan 0.000 0.445 99 Y N 1.243 121.588 120.300 0.075 0.000 2.282 99 Y HA 0.412 4.966 4.550 0.007 0.000 0.335 99 Y C 0.898 176.863 175.900 0.108 0.000 1.335 99 Y CA -1.757 56.389 58.100 0.077 0.000 1.529 99 Y CB -0.202 38.300 38.460 0.070 0.000 1.429 99 Y HN -0.069 nan 8.280 nan 0.000 0.563 100 E N 0.331 120.671 120.200 0.233 0.000 2.404 100 E HA 0.059 4.412 4.350 0.005 0.000 0.261 100 E C 0.441 177.170 176.600 0.216 0.000 1.074 100 E CA -0.502 55.996 56.400 0.164 0.000 0.917 100 E CB 0.488 30.288 29.700 0.167 0.000 0.965 100 E HN 0.657 nan 8.360 nan 0.000 0.433 101 I N 2.377 123.038 120.570 0.152 0.000 2.102 101 I HA -0.145 4.028 4.170 0.005 0.000 0.228 101 I C 0.300 176.453 176.117 0.059 0.000 1.057 101 I CA 1.405 62.804 61.300 0.166 0.000 1.334 101 I CB -0.947 37.205 38.000 0.253 0.000 1.096 101 I HN 0.798 nan 8.210 nan 0.000 0.396 102 K N 1.111 121.410 120.400 -0.169 0.000 6.402 102 K HA -0.216 4.107 4.320 0.005 0.000 0.650 102 K C -1.131 175.093 176.600 -0.626 0.000 1.670 102 K CA 0.166 56.223 56.287 -0.383 0.000 1.619 102 K CB -1.302 31.085 32.500 -0.188 0.000 1.825 102 K HN 0.380 nan 8.250 nan 0.000 0.338 103 Y N -0.212 119.684 120.300 -0.673 0.000 2.534 103 Y HA 0.538 5.091 4.550 0.003 0.000 0.329 103 Y C 1.112 176.616 175.900 -0.661 0.000 1.154 103 Y CA -1.368 55.968 58.100 -1.274 0.000 1.192 103 Y CB 0.899 38.714 38.460 -1.076 0.000 1.275 103 Y HN 0.397 nan 8.280 nan 0.000 0.491 104 D N -0.519 119.784 120.400 -0.161 0.000 2.232 104 D HA -0.054 4.589 4.640 0.005 0.000 0.220 104 D C 1.107 177.430 176.300 0.039 0.000 0.982 104 D CA 2.610 56.630 54.000 0.033 0.000 0.892 104 D CB 0.064 40.918 40.800 0.090 0.000 1.040 104 D HN 0.998 nan 8.370 nan 0.000 0.463 105 H N -2.918 116.254 119.070 0.170 0.000 4.664 105 H HA -0.266 4.292 4.556 0.004 0.000 0.087 105 H C 1.324 176.692 175.328 0.066 0.000 0.604 105 H CA 2.646 58.728 56.048 0.058 0.000 1.040 105 H CB -2.624 27.119 29.762 -0.031 0.000 0.433 105 H HN 0.228 nan 8.280 nan 0.000 0.770 106 T N -1.297 113.017 114.554 -0.401 0.000 2.977 106 T HA -0.049 4.304 4.350 0.005 0.000 0.271 106 T C 1.452 176.146 174.700 -0.010 0.000 1.105 106 T CA 1.534 63.551 62.100 -0.140 0.000 1.116 106 T CB -0.138 68.609 68.868 -0.202 0.000 0.878 106 T HN 0.649 nan 8.240 nan 0.000 0.509 107 K N 0.630 121.036 120.400 0.011 0.000 2.437 107 K HA 0.379 4.702 4.320 0.005 0.000 0.198 107 K C -0.246 176.362 176.600 0.014 0.000 1.024 107 K CA -0.020 56.286 56.287 0.031 0.000 1.148 107 K CB 0.151 32.701 32.500 0.082 0.000 0.860 107 K HN 0.559 nan 8.250 nan 0.000 0.515 108 I N 0.785 121.374 120.570 0.032 0.000 2.411 108 I HA 0.271 4.443 4.170 0.005 0.000 0.284 108 I C -0.181 175.921 176.117 -0.025 0.000 1.012 108 I CA -0.993 60.305 61.300 -0.004 0.000 1.119 108 I CB 1.562 39.576 38.000 0.024 0.000 1.261 108 I HN -0.097 nan 8.210 nan 0.000 0.448 109 R N 5.410 125.862 120.500 -0.079 0.000 2.540 109 R HA 0.207 4.550 4.340 0.005 0.000 0.317 109 R C -0.985 175.247 176.300 -0.113 0.000 1.233 109 R CA -0.026 56.003 56.100 -0.118 0.000 1.003 109 R CB 0.150 30.339 30.300 -0.185 0.000 1.034 109 R HN 0.497 nan 8.270 nan 0.000 0.483 110 V N 4.374 124.249 119.914 -0.064 0.000 2.364 110 V HA 0.340 4.463 4.120 0.005 0.000 0.272 110 V C 0.234 176.287 176.094 -0.069 0.000 1.036 110 V CA -0.494 61.780 62.300 -0.044 0.000 0.880 110 V CB 1.217 33.054 31.823 0.023 0.000 0.991 110 V HN 0.784 nan 8.190 nan 0.000 0.460 111 A N 4.914 127.648 122.820 -0.143 0.000 2.292 111 A HA 0.628 4.950 4.320 0.005 0.000 0.319 111 A C -0.102 177.380 177.584 -0.169 0.000 1.206 111 A CA -0.582 51.304 52.037 -0.251 0.000 0.835 111 A CB 0.378 19.125 19.000 -0.421 0.000 1.164 111 A HN 0.862 nan 8.150 nan 0.000 0.505 112 N N 1.905 120.545 118.700 -0.100 0.000 2.448 112 N HA 0.661 5.404 4.740 0.005 0.000 0.279 112 N C -1.000 174.569 175.510 0.099 0.000 1.025 112 N CA -0.508 52.576 53.050 0.056 0.000 0.898 112 N CB 0.940 39.467 38.487 0.067 0.000 1.303 112 N HN 0.577 nan 8.380 nan 0.000 0.495 113 F N 1.594 121.475 119.950 -0.115 0.000 2.790 113 F HA 0.773 5.303 4.527 0.004 0.000 0.337 113 F C -1.581 174.231 175.800 0.020 0.000 1.163 113 F CA -1.716 56.248 58.000 -0.061 0.000 0.997 113 F CB 0.905 39.873 39.000 -0.053 0.000 1.437 113 F HN 0.430 nan 8.300 nan 0.000 0.512 114 D N 0.661 120.801 120.400 -0.435 0.000 2.633 114 D HA 0.457 5.100 4.640 0.005 0.000 0.198 114 D C -1.575 174.489 176.300 -0.394 0.000 1.273 114 D CA -0.350 53.352 54.000 -0.497 0.000 0.830 114 D CB 1.269 41.939 40.800 -0.216 0.000 1.771 114 D HN 0.845 nan 8.370 nan 0.000 0.547 115 I N 0.212 120.543 120.570 -0.399 0.000 2.783 115 I HA 0.825 4.997 4.170 0.005 0.000 0.312 115 I C -0.728 175.324 176.117 -0.108 0.000 0.988 115 I CA -0.068 61.101 61.300 -0.218 0.000 1.182 115 I CB 1.682 39.564 38.000 -0.196 0.000 1.368 115 I HN 0.243 nan 8.210 nan 0.000 0.511 116 E N 3.126 123.279 120.200 -0.078 0.000 2.290 116 E HA 0.584 4.937 4.350 0.005 0.000 0.274 116 E C -1.541 175.071 176.600 0.020 0.000 0.889 116 E CA -0.598 55.793 56.400 -0.015 0.000 0.760 116 E CB 2.436 32.106 29.700 -0.050 0.000 1.206 116 E HN 0.527 nan 8.360 nan 0.000 0.419 117 V N 1.493 121.409 119.914 0.004 0.000 2.735 117 V HA 0.477 4.600 4.120 0.005 0.000 0.310 117 V C -0.179 175.941 176.094 0.043 0.000 1.061 117 V CA -0.692 61.580 62.300 -0.046 0.000 0.913 117 V CB 2.343 34.027 31.823 -0.233 0.000 1.005 117 V HN 0.627 nan 8.190 nan 0.000 0.428 118 T N 2.869 117.422 114.554 -0.001 0.000 2.758 118 T HA 0.505 4.857 4.350 0.005 0.000 0.285 118 T C -0.207 174.529 174.700 0.060 0.000 0.981 118 T CA -0.210 61.902 62.100 0.020 0.000 0.965 118 T CB 1.280 70.106 68.868 -0.070 0.000 0.927 118 T HN 0.708 nan 8.240 nan 0.000 0.448 119 S N 3.557 119.365 115.700 0.180 0.000 2.536 119 S HA 0.540 5.013 4.470 0.005 0.000 0.298 119 S C -1.578 173.151 174.600 0.215 0.000 1.083 119 S CA -2.096 56.268 58.200 0.274 0.000 0.995 119 S CB 1.450 64.884 63.200 0.391 0.000 1.058 119 S HN 0.359 nan 8.310 nan 0.000 0.488 120 P HA -0.096 nan 4.420 nan 0.000 0.212 120 P C -0.462 176.889 177.300 0.084 0.000 1.178 120 P CA 1.312 64.435 63.100 0.038 0.000 0.915 120 P CB -0.435 31.243 31.700 -0.037 0.000 0.788 121 D N -0.013 120.466 120.400 0.131 0.000 2.317 121 D HA 0.133 4.776 4.640 0.005 0.000 0.252 121 D C 1.630 178.015 176.300 0.143 0.000 1.174 121 D CA -0.099 53.987 54.000 0.144 0.000 0.866 121 D CB 0.643 41.547 40.800 0.173 0.000 1.127 121 D HN 0.086 nan 8.370 nan 0.000 0.467 122 G N 2.498 111.341 108.800 0.071 0.000 2.785 122 G HA2 -0.289 3.673 3.960 0.005 0.000 0.225 122 G HA3 -0.289 3.673 3.960 0.005 0.000 0.225 122 G C 0.274 175.053 174.900 -0.202 0.000 1.093 122 G CA 0.683 45.737 45.100 -0.077 0.000 0.740 122 G HN 0.437 nan 8.290 nan 0.000 0.629 123 F N 1.434 121.422 119.950 0.063 0.000 2.450 123 F HA 0.546 5.076 4.527 0.005 0.000 0.332 123 F C -1.767 174.111 175.800 0.130 0.000 1.093 123 F CA -2.377 55.650 58.000 0.045 0.000 1.003 123 F CB 2.698 41.710 39.000 0.020 0.000 1.151 123 F HN -0.110 nan 8.300 nan 0.000 0.474 124 P HA 0.303 nan 4.420 nan 0.000 0.310 124 P C -1.407 176.109 177.300 0.359 0.000 1.292 124 P CA -0.584 62.730 63.100 0.357 0.000 0.861 124 P CB 2.067 34.020 31.700 0.421 0.000 1.337 125 E N 0.368 120.728 120.200 0.266 0.000 2.141 125 E HA 0.301 4.654 4.350 0.005 0.000 0.259 125 E C -1.968 174.709 176.600 0.127 0.000 0.883 125 E CA -2.514 53.999 56.400 0.190 0.000 0.744 125 E CB 1.066 30.814 29.700 0.079 0.000 1.150 125 E HN 0.168 nan 8.360 nan 0.000 0.420 126 P HA -0.130 nan 4.420 nan 0.000 0.218 126 P C 1.218 178.407 177.300 -0.184 0.000 1.146 126 P CA 0.987 64.090 63.100 0.004 0.000 0.813 126 P CB 0.477 32.227 31.700 0.083 0.000 0.778 127 S N -0.181 115.475 115.700 -0.073 0.000 2.372 127 S HA -0.224 4.249 4.470 0.005 0.000 0.227 127 S C 1.795 176.316 174.600 -0.131 0.000 1.044 127 S CA 1.858 60.012 58.200 -0.077 0.000 1.050 127 S CB -0.551 62.633 63.200 -0.027 0.000 0.901 127 S HN 0.398 nan 8.310 nan 0.000 0.447 128 Q N -0.789 118.905 119.800 -0.178 0.000 2.342 128 Q HA 0.491 4.834 4.340 0.005 0.000 0.261 128 Q C 0.484 176.287 176.000 -0.328 0.000 0.841 128 Q CA 0.857 56.544 55.803 -0.193 0.000 0.969 128 Q CB -0.298 28.375 28.738 -0.108 0.000 1.136 128 Q HN 0.479 nan 8.270 nan 0.000 0.528 129 A N 1.918 124.446 122.820 -0.487 0.000 2.648 129 A HA -0.250 4.072 4.320 0.005 0.000 0.297 129 A C 0.747 178.165 177.584 -0.277 0.000 1.467 129 A CA 1.042 52.617 52.037 -0.771 0.000 0.731 129 A CB -2.105 16.112 19.000 -1.305 0.000 1.085 129 A HN 0.453 nan 8.150 nan 0.000 0.437 130 K N -0.242 120.019 120.400 -0.231 0.000 2.152 130 K HA -0.100 4.223 4.320 0.005 0.000 0.206 130 K C 0.806 177.465 176.600 0.099 0.000 1.048 130 K CA 1.716 57.956 56.287 -0.078 0.000 0.933 130 K CB -0.134 32.348 32.500 -0.030 0.000 0.721 130 K HN 0.967 nan 8.250 nan 0.000 0.447 131 H N 0.274 119.443 119.070 0.165 0.000 2.544 131 H HA 0.274 4.833 4.556 0.005 0.000 0.342 131 H C -2.375 173.020 175.328 0.113 0.000 1.185 131 H CA -3.005 53.091 56.048 0.079 0.000 1.264 131 H CB 0.820 30.576 29.762 -0.010 0.000 1.607 131 H HN -0.065 nan 8.280 nan 0.000 0.550 132 P HA 0.152 nan 4.420 nan 0.000 0.281 132 P C -0.573 176.734 177.300 0.012 0.000 1.249 132 P CA -0.307 62.829 63.100 0.060 0.000 0.810 132 P CB 1.328 33.019 31.700 -0.016 0.000 1.008 133 I N 2.066 122.645 120.570 0.014 0.000 2.342 133 I HA 0.132 4.305 4.170 0.005 0.000 0.291 133 I C 0.818 176.920 176.117 -0.025 0.000 1.010 133 I CA 0.032 61.306 61.300 -0.045 0.000 1.308 133 I CB 0.461 38.437 38.000 -0.040 0.000 1.400 133 I HN 0.322 nan 8.210 nan 0.000 0.488 134 D N 3.772 124.168 120.400 -0.007 0.000 2.431 134 D HA 0.469 5.111 4.640 0.005 0.000 0.213 134 D C 0.002 176.354 176.300 0.087 0.000 1.130 134 D CA -0.223 53.792 54.000 0.025 0.000 0.834 134 D CB 0.718 41.504 40.800 -0.023 0.000 0.985 134 D HN 0.503 nan 8.370 nan 0.000 0.504 135 A N 0.278 123.136 122.820 0.062 0.000 2.589 135 A HA 0.712 5.035 4.320 0.005 0.000 0.296 135 A C -1.732 175.816 177.584 -0.061 0.000 1.062 135 A CA -0.738 51.315 52.037 0.026 0.000 0.686 135 A CB 1.208 20.266 19.000 0.096 0.000 1.282 135 A HN 0.146 nan 8.150 nan 0.000 0.404 136 I N 1.495 122.013 120.570 -0.087 0.000 2.690 136 I HA 0.264 4.437 4.170 0.005 0.000 0.286 136 I C -0.712 175.376 176.117 -0.049 0.000 1.313 136 I CA -0.093 61.132 61.300 -0.125 0.000 1.070 136 I CB 2.654 40.482 38.000 -0.287 0.000 1.323 136 I HN 0.627 nan 8.210 nan 0.000 0.432 137 T N 3.583 118.127 114.554 -0.017 0.000 2.824 137 T HA 0.383 4.736 4.350 0.005 0.000 0.280 137 T C -0.789 174.046 174.700 0.226 0.000 0.995 137 T CA -0.380 61.780 62.100 0.098 0.000 1.009 137 T CB 1.011 69.916 68.868 0.062 0.000 0.955 137 T HN 0.568 nan 8.240 nan 0.000 0.452 138 H N 2.144 121.325 119.070 0.186 0.000 2.808 138 H HA 0.353 4.911 4.556 0.005 0.000 0.268 138 H C -1.106 174.343 175.328 0.201 0.000 1.306 138 H CA -0.801 55.367 56.048 0.201 0.000 1.565 138 H CB 0.164 29.935 29.762 0.016 0.000 1.632 138 H HN 0.669 nan 8.280 nan 0.000 0.525 139 Y N 3.225 123.516 120.300 -0.016 0.000 2.550 139 Y HA 0.157 4.710 4.550 0.004 0.000 0.343 139 Y C -0.296 175.556 175.900 -0.082 0.000 1.245 139 Y CA 0.537 58.499 58.100 -0.230 0.000 1.462 139 Y CB 0.744 38.855 38.460 -0.581 0.000 1.340 139 Y HN 0.633 nan 8.280 nan 0.000 0.604 140 D N 3.435 123.007 120.400 -1.380 0.000 2.476 140 D HA 0.081 4.723 4.640 0.005 0.000 0.251 140 D C 0.603 176.328 176.300 -0.958 0.000 1.291 140 D CA 0.249 53.755 54.000 -0.822 0.000 0.939 140 D CB 1.729 42.289 40.800 -0.398 0.000 1.221 140 D HN 0.739 nan 8.370 nan 0.000 0.567 141 S N 4.208 119.682 115.700 -0.377 0.000 2.368 141 S HA -0.227 4.246 4.470 0.005 0.000 0.226 141 S C 1.983 176.572 174.600 -0.019 0.000 1.044 141 S CA 0.943 59.191 58.200 0.081 0.000 1.062 141 S CB -0.153 63.140 63.200 0.154 0.000 0.931 141 S HN 0.570 nan 8.310 nan 0.000 0.440 142 I N 2.459 122.976 120.570 -0.087 0.000 2.248 142 I HA -0.130 4.043 4.170 0.005 0.000 0.248 142 I C 1.813 177.902 176.117 -0.046 0.000 1.107 142 I CA 1.575 62.837 61.300 -0.063 0.000 1.373 142 I CB -1.570 36.367 38.000 -0.105 0.000 1.055 142 I HN 0.363 nan 8.210 nan 0.000 0.418 143 D N -0.837 119.512 120.400 -0.086 0.000 2.355 143 D HA -0.046 4.597 4.640 0.005 0.000 0.206 143 D C 1.076 177.405 176.300 0.048 0.000 1.010 143 D CA 0.574 54.578 54.000 0.006 0.000 0.875 143 D CB 0.053 40.914 40.800 0.101 0.000 0.966 143 D HN 0.194 nan 8.370 nan 0.000 0.512 144 D N -0.771 119.620 120.400 -0.015 0.000 3.079 144 D HA -0.163 4.480 4.640 0.005 0.000 0.214 144 D C -0.300 176.187 176.300 0.312 0.000 1.145 144 D CA 0.685 54.816 54.000 0.218 0.000 0.958 144 D CB -0.148 40.785 40.800 0.222 0.000 1.117 144 D HN 0.026 nan 8.370 nan 0.000 0.416 145 R N -0.760 119.831 120.500 0.152 0.000 2.797 145 R HA 0.712 5.054 4.340 0.005 0.000 0.251 145 R C -0.268 176.242 176.300 0.350 0.000 1.107 145 R CA -0.432 55.847 56.100 0.298 0.000 1.084 145 R CB 0.321 30.659 30.300 0.063 0.000 1.205 145 R HN 0.010 nan 8.270 nan 0.000 0.515 146 F N 0.778 120.829 119.950 0.169 0.000 2.507 146 F HA 0.356 4.886 4.527 0.005 0.000 0.328 146 F C -0.550 175.328 175.800 0.129 0.000 1.136 146 F CA -0.829 57.343 58.000 0.287 0.000 0.930 146 F CB 1.015 40.133 39.000 0.196 0.000 1.166 146 F HN 0.210 nan 8.300 nan 0.000 0.436 147 Y N 2.642 123.100 120.300 0.263 0.000 2.341 147 Y HA 0.593 5.146 4.550 0.005 0.000 0.340 147 Y C -0.152 175.823 175.900 0.124 0.000 0.997 147 Y CA -1.339 56.835 58.100 0.123 0.000 1.149 147 Y CB 1.221 39.710 38.460 0.049 0.000 1.171 147 Y HN 0.215 nan 8.280 nan 0.000 0.494 148 V N 5.402 125.341 119.914 0.042 0.000 2.409 148 V HA 0.390 4.512 4.120 0.005 0.000 0.291 148 V C -0.842 175.180 176.094 -0.119 0.000 1.020 148 V CA -1.029 61.254 62.300 -0.027 0.000 0.848 148 V CB 0.729 32.385 31.823 -0.278 0.000 0.990 148 V HN 0.392 nan 8.190 nan 0.000 0.430 149 F N 2.637 122.478 119.950 -0.181 0.000 2.427 149 F HA 0.632 5.161 4.527 0.005 0.000 0.346 149 F C 0.190 175.935 175.800 -0.092 0.000 1.120 149 F CA -0.928 57.040 58.000 -0.054 0.000 1.033 149 F CB 1.362 40.210 39.000 -0.253 0.000 1.126 149 F HN 0.397 nan 8.300 nan 0.000 0.462 150 D N 2.604 123.139 120.400 0.225 0.000 2.498 150 D HA 0.414 5.057 4.640 0.005 0.000 0.247 150 D C -1.625 174.861 176.300 0.310 0.000 1.070 150 D CA -0.484 53.620 54.000 0.174 0.000 0.842 150 D CB 2.173 43.031 40.800 0.096 0.000 1.361 150 D HN 0.334 nan 8.370 nan 0.000 0.484 151 L N 4.513 125.864 121.223 0.214 0.000 2.287 151 L HA 0.379 4.721 4.340 0.005 0.000 0.287 151 L C 0.270 177.247 176.870 0.179 0.000 1.022 151 L CA -0.155 54.799 54.840 0.189 0.000 0.814 151 L CB 1.130 43.246 42.059 0.096 0.000 1.217 151 L HN 0.564 nan 8.230 nan 0.000 0.420 152 L N 3.365 124.688 121.223 0.166 0.000 2.307 152 L HA 0.211 4.553 4.340 0.005 0.000 0.211 152 L C 0.169 177.069 176.870 0.050 0.000 1.099 152 L CA 0.190 55.081 54.840 0.085 0.000 0.816 152 L CB -0.241 41.867 42.059 0.081 0.000 0.952 152 L HN 0.589 nan 8.230 nan 0.000 0.455 153 N N 0.160 118.904 118.700 0.072 0.000 2.361 153 N HA 0.476 5.219 4.740 0.005 0.000 0.302 153 N C -0.714 174.829 175.510 0.055 0.000 1.074 153 N CA -0.041 53.043 53.050 0.057 0.000 0.850 153 N CB 2.101 40.625 38.487 0.062 0.000 1.228 153 N HN -0.090 nan 8.380 nan 0.000 0.491 154 S N 0.516 116.248 115.700 0.053 0.000 2.565 154 S HA 0.377 4.850 4.470 0.005 0.000 0.274 154 S C -2.510 172.154 174.600 0.106 0.000 1.144 154 S CA -0.907 57.326 58.200 0.055 0.000 0.849 154 S CB 1.677 64.889 63.200 0.019 0.000 1.103 154 S HN 0.255 nan 8.310 nan 0.000 0.455 155 P HA 0.025 nan 4.420 nan 0.000 0.226 155 P C 0.507 177.983 177.300 0.293 0.000 1.153 155 P CA 0.798 64.027 63.100 0.215 0.000 0.777 155 P CB -0.158 31.692 31.700 0.251 0.000 0.794 156 Y N 0.383 120.664 120.300 -0.033 0.000 2.466 156 Y HA 0.472 5.025 4.550 0.005 0.000 0.272 156 Y C 1.578 177.447 175.900 -0.050 0.000 1.169 156 Y CA -0.185 57.883 58.100 -0.052 0.000 1.285 156 Y CB -0.132 38.282 38.460 -0.076 0.000 1.078 156 Y HN -0.027 nan 8.280 nan 0.000 0.523 157 G N 0.298 109.169 108.800 0.119 0.000 2.282 157 G HA2 0.002 3.965 3.960 0.005 0.000 0.274 157 G HA3 0.002 3.965 3.960 0.005 0.000 0.274 157 G C -1.466 173.452 174.900 0.029 0.000 1.718 157 G CA -1.120 44.008 45.100 0.047 0.000 0.927 157 G HN 0.027 nan 8.290 nan 0.000 0.733 158 N N 0.601 119.309 118.700 0.013 0.000 2.446 158 N HA 0.590 5.333 4.740 0.005 0.000 0.265 158 N C 0.180 175.672 175.510 -0.030 0.000 0.975 158 N CA -0.432 52.619 53.050 0.002 0.000 0.928 158 N CB 2.640 41.134 38.487 0.011 0.000 1.160 158 N HN 0.756 nan 8.380 nan 0.000 0.495 159 V N -0.547 119.322 119.914 -0.075 0.000 3.103 159 V HA 0.555 4.678 4.120 0.005 0.000 0.318 159 V C 0.186 176.168 176.094 -0.186 0.000 1.114 159 V CA -0.937 61.265 62.300 -0.163 0.000 1.020 159 V CB 2.090 33.711 31.823 -0.337 0.000 1.085 159 V HN 0.361 nan 8.190 nan 0.000 0.446 160 E N 0.748 120.838 120.200 -0.183 0.000 2.349 160 E HA 0.334 4.687 4.350 0.005 0.000 0.262 160 E C 0.034 176.573 176.600 -0.101 0.000 1.088 160 E CA -0.244 56.101 56.400 -0.092 0.000 0.899 160 E CB 1.025 30.708 29.700 -0.027 0.000 1.044 160 E HN 0.804 nan 8.360 nan 0.000 0.420 161 E N 0.302 120.529 120.200 0.044 0.000 2.718 161 E HA 0.044 4.396 4.350 0.005 0.000 0.263 161 E C -0.459 176.407 176.600 0.443 0.000 1.434 161 E CA 0.041 56.580 56.400 0.232 0.000 1.106 161 E CB 0.437 30.192 29.700 0.092 0.000 1.029 161 E HN 0.397 nan 8.360 nan 0.000 0.631 162 W N 0.175 121.709 121.300 0.391 0.000 2.632 162 W HA 0.275 4.938 4.660 0.005 0.000 0.328 162 W C -0.649 175.997 176.519 0.211 0.000 1.044 162 W CA -0.721 56.880 57.345 0.426 0.000 1.225 162 W CB 1.627 31.470 29.460 0.638 0.000 1.396 162 W HN 0.212 nan 8.180 nan 0.000 0.499 163 S N 6.120 121.504 115.700 -0.527 0.000 2.399 163 S HA 0.143 4.615 4.470 0.005 0.000 0.301 163 S C 1.010 174.944 174.600 -1.111 0.000 1.093 163 S CA -0.408 57.405 58.200 -0.645 0.000 1.077 163 S CB 0.121 63.111 63.200 -0.351 0.000 0.980 163 S HN 0.504 nan 8.310 nan 0.000 0.494 164 I N 4.711 124.766 120.570 -0.858 0.000 2.113 164 I HA -0.246 3.927 4.170 0.005 0.000 0.242 164 I C 2.682 178.525 176.117 -0.458 0.000 1.064 164 I CA 1.762 62.670 61.300 -0.653 0.000 1.320 164 I CB -0.591 37.275 38.000 -0.224 0.000 1.028 164 I HN 0.749 nan 8.210 nan 0.000 0.406 165 E N 1.185 121.183 120.200 -0.336 0.000 2.047 165 E HA -0.177 4.176 4.350 0.005 0.000 0.191 165 E C 2.329 178.797 176.600 -0.220 0.000 0.987 165 E CA 1.593 57.859 56.400 -0.224 0.000 0.799 165 E CB -0.858 28.743 29.700 -0.165 0.000 0.752 165 E HN 0.534 nan 8.360 nan 0.000 0.449 166 I N 1.959 122.368 120.570 -0.268 0.000 2.286 166 I HA -0.226 3.947 4.170 0.005 0.000 0.248 166 I C 2.750 178.757 176.117 -0.184 0.000 1.115 166 I CA 1.218 62.398 61.300 -0.200 0.000 1.392 166 I CB -0.431 37.449 38.000 -0.199 0.000 1.065 166 I HN 0.106 nan 8.210 nan 0.000 0.418 167 A N 0.789 123.432 122.820 -0.296 0.000 1.972 167 A HA -0.114 4.209 4.320 0.005 0.000 0.219 167 A C 2.452 179.988 177.584 -0.080 0.000 1.169 167 A CA 1.673 53.624 52.037 -0.142 0.000 0.635 167 A CB -0.689 18.225 19.000 -0.143 0.000 0.810 167 A HN 0.433 nan 8.150 nan 0.000 0.446 168 A N -0.953 121.789 122.820 -0.130 0.000 2.209 168 A HA 0.082 4.405 4.320 0.005 0.000 0.212 168 A C 1.142 178.685 177.584 -0.069 0.000 1.158 168 A CA 0.595 52.577 52.037 -0.092 0.000 0.742 168 A CB -0.151 18.784 19.000 -0.108 0.000 0.790 168 A HN 0.321 nan 8.150 nan 0.000 0.472 169 K N -0.272 120.088 120.400 -0.067 0.000 2.155 169 K HA 0.456 4.778 4.320 0.005 0.000 0.237 169 K C 0.237 176.820 176.600 -0.028 0.000 1.040 169 K CA -0.583 55.676 56.287 -0.048 0.000 0.912 169 K CB 0.209 32.679 32.500 -0.050 0.000 1.137 169 K HN 0.110 nan 8.250 nan 0.000 0.498 170 L N 1.969 123.179 121.223 -0.022 0.000 2.416 170 L HA 0.134 4.477 4.340 0.005 0.000 0.262 170 L C 1.979 178.845 176.870 -0.006 0.000 1.093 170 L CA -0.192 54.641 54.840 -0.012 0.000 0.801 170 L CB 0.653 42.705 42.059 -0.012 0.000 1.191 170 L HN 0.485 nan 8.230 nan 0.000 0.459 171 Q N 0.989 120.790 119.800 0.001 0.000 2.082 171 Q HA -0.258 4.085 4.340 0.005 0.000 0.211 171 Q C 1.603 177.604 176.000 0.002 0.000 1.002 171 Q CA 2.127 57.934 55.803 0.006 0.000 0.868 171 Q CB -0.043 28.699 28.738 0.006 0.000 0.931 171 Q HN 0.574 nan 8.270 nan 0.000 0.414 172 E N 0.608 120.807 120.200 -0.003 0.000 2.204 172 E HA -0.162 4.191 4.350 0.005 0.000 0.195 172 E C 1.443 178.039 176.600 -0.008 0.000 0.990 172 E CA 0.812 57.208 56.400 -0.005 0.000 0.821 172 E CB -0.125 29.571 29.700 -0.007 0.000 0.750 172 E HN 0.280 nan 8.360 nan 0.000 0.477 173 Q N -0.599 119.194 119.800 -0.011 0.000 2.247 173 Q HA 0.284 4.627 4.340 0.005 0.000 0.205 173 Q C 0.827 176.817 176.000 -0.016 0.000 0.896 173 Q CA 0.568 56.361 55.803 -0.017 0.000 0.950 173 Q CB 0.382 29.106 28.738 -0.024 0.000 1.054 173 Q HN 0.329 nan 8.270 nan 0.000 0.482 174 G N -0.577 108.219 108.800 -0.006 0.000 2.168 174 G HA2 -0.273 3.690 3.960 0.005 0.000 0.257 174 G HA3 -0.273 3.690 3.960 0.005 0.000 0.257 174 G C 0.466 175.367 174.900 0.001 0.000 0.997 174 G CA -0.024 45.078 45.100 0.003 0.000 0.708 174 G HN 0.587 nan 8.290 nan 0.000 0.520 175 G N -0.874 107.922 108.800 -0.006 0.000 2.527 175 G HA2 0.451 4.414 3.960 0.005 0.000 0.248 175 G HA3 0.451 4.414 3.960 0.005 0.000 0.248 175 G C 0.510 175.418 174.900 0.014 0.000 1.231 175 G CA 0.214 45.307 45.100 -0.012 0.000 0.838 175 G HN 0.148 nan 8.290 nan 0.000 0.570 176 D N 0.371 120.784 120.400 0.022 0.000 2.340 176 D HA 0.019 4.662 4.640 0.005 0.000 0.220 176 D C 0.709 177.039 176.300 0.050 0.000 1.039 176 D CA 0.208 54.248 54.000 0.066 0.000 0.866 176 D CB 0.353 41.231 40.800 0.131 0.000 0.913 176 D HN 0.547 nan 8.370 nan 0.000 0.523 177 E N -0.322 119.889 120.200 0.019 0.000 3.170 177 E HA -0.164 4.189 4.350 0.005 0.000 0.284 177 E C -0.277 176.322 176.600 -0.002 0.000 0.967 177 E CA 0.183 56.588 56.400 0.009 0.000 0.919 177 E CB -1.702 28.011 29.700 0.021 0.000 1.469 177 E HN 0.157 nan 8.360 nan 0.000 0.444 178 V N 1.565 121.475 119.914 -0.006 0.000 2.493 178 V HA 0.038 4.161 4.120 0.005 0.000 0.292 178 V C -1.732 174.310 176.094 -0.086 0.000 1.016 178 V CA -0.529 61.747 62.300 -0.039 0.000 1.097 178 V CB 0.153 31.972 31.823 -0.007 0.000 0.947 178 V HN -0.010 nan 8.190 nan 0.000 0.479 179 P HA 0.047 nan 4.420 nan 0.000 0.262 179 P C 1.056 178.248 177.300 -0.179 0.000 1.199 179 P CA 0.347 63.351 63.100 -0.160 0.000 0.763 179 P CB 0.599 32.163 31.700 -0.228 0.000 0.790 180 S N 4.361 119.995 115.700 -0.109 0.000 2.414 180 S HA -0.314 4.158 4.470 0.005 0.000 0.238 180 S C 1.616 176.160 174.600 -0.094 0.000 1.055 180 S CA 1.727 59.876 58.200 -0.086 0.000 1.174 180 S CB -1.141 62.027 63.200 -0.053 0.000 1.087 180 S HN 0.641 nan 8.310 nan 0.000 0.428 181 E N 2.273 122.426 120.200 -0.079 0.000 2.444 181 E HA -0.162 4.191 4.350 0.005 0.000 0.204 181 E C 1.714 178.268 176.600 -0.077 0.000 1.049 181 E CA 1.237 57.607 56.400 -0.050 0.000 0.872 181 E CB -0.672 29.023 29.700 -0.010 0.000 0.791 181 E HN 0.785 nan 8.360 nan 0.000 0.548 182 I N -0.020 120.439 120.570 -0.184 0.000 3.194 182 I HA -0.072 4.100 4.170 0.005 0.000 0.271 182 I C 2.229 178.228 176.117 -0.198 0.000 1.150 182 I CA -0.201 60.941 61.300 -0.264 0.000 1.440 182 I CB -0.232 37.411 38.000 -0.596 0.000 1.276 182 I HN -0.103 nan 8.210 nan 0.000 0.457 183 I N 2.684 123.149 120.570 -0.174 0.000 2.181 183 I HA -0.380 3.793 4.170 0.005 0.000 0.240 183 I C 2.188 178.276 176.117 -0.047 0.000 1.006 183 I CA 2.432 63.672 61.300 -0.099 0.000 1.284 183 I CB -1.736 36.217 38.000 -0.078 0.000 0.990 183 I HN 0.426 nan 8.210 nan 0.000 0.408 184 D N 1.126 121.506 120.400 -0.034 0.000 2.263 184 D HA -0.176 4.466 4.640 0.005 0.000 0.208 184 D C 1.442 177.749 176.300 0.011 0.000 0.971 184 D CA 0.918 54.913 54.000 -0.009 0.000 0.867 184 D CB -0.668 40.129 40.800 -0.005 0.000 0.929 184 D HN 0.422 nan 8.370 nan 0.000 0.492 185 K N -0.134 120.279 120.400 0.022 0.000 2.627 185 K HA 0.166 4.489 4.320 0.005 0.000 0.212 185 K C -0.250 176.420 176.600 0.116 0.000 1.041 185 K CA -0.264 56.080 56.287 0.095 0.000 1.205 185 K CB 0.177 32.792 32.500 0.192 0.000 0.936 185 K HN 0.153 nan 8.250 nan 0.000 0.489 186 I N 0.169 120.760 120.570 0.035 0.000 2.947 186 I HA 0.313 4.485 4.170 0.005 0.000 0.314 186 I C 0.174 176.280 176.117 -0.017 0.000 1.028 186 I CA -1.113 60.211 61.300 0.040 0.000 1.077 186 I CB 1.335 39.374 38.000 0.067 0.000 1.274 186 I HN -0.029 nan 8.210 nan 0.000 0.485 187 I N 3.281 123.812 120.570 -0.065 0.000 2.769 187 I HA 0.066 4.239 4.170 0.005 0.000 0.272 187 I C -1.422 174.670 176.117 -0.042 0.000 1.408 187 I CA -0.501 60.719 61.300 -0.133 0.000 0.925 187 I CB 0.663 38.413 38.000 -0.416 0.000 1.407 187 I HN 0.374 nan 8.210 nan 0.000 0.550 188 Y N 6.606 126.866 120.300 -0.066 0.000 2.411 188 Y HA 0.527 5.080 4.550 0.005 0.000 0.333 188 Y C -0.378 175.472 175.900 -0.083 0.000 1.186 188 Y CA -0.515 57.562 58.100 -0.038 0.000 1.381 188 Y CB 0.916 39.446 38.460 0.117 0.000 1.273 188 Y HN 0.417 nan 8.280 nan 0.000 0.546 189 M N 8.657 128.532 119.600 0.459 0.000 2.284 189 M HA 0.285 4.768 4.480 0.005 0.000 0.229 189 M C -2.912 173.533 176.300 0.242 0.000 0.984 189 M CA -1.488 53.890 55.300 0.130 0.000 1.016 189 M CB 2.213 34.710 32.600 -0.171 0.000 2.379 189 M HN 0.320 nan 8.290 nan 0.000 0.459 190 P HA 0.642 nan 4.420 nan 0.000 0.282 190 P C -1.377 175.973 177.300 0.083 0.000 1.259 190 P CA -0.271 63.067 63.100 0.397 0.000 0.826 190 P CB 1.174 33.138 31.700 0.439 0.000 1.064 191 F N -0.600 119.436 119.950 0.143 0.000 2.629 191 F HA 0.323 4.853 4.527 0.005 0.000 0.316 191 F C 1.202 177.060 175.800 0.098 0.000 1.081 191 F CA -0.750 57.319 58.000 0.115 0.000 0.954 191 F CB 0.411 39.490 39.000 0.132 0.000 1.337 191 F HN 0.122 nan 8.300 nan 0.000 0.474 192 D N -0.102 120.465 120.400 0.278 0.000 2.216 192 D HA 0.030 4.673 4.640 0.005 0.000 0.208 192 D C 0.036 176.433 176.300 0.161 0.000 0.960 192 D CA 1.317 55.420 54.000 0.171 0.000 0.861 192 D CB 0.010 40.881 40.800 0.118 0.000 0.985 192 D HN 0.555 nan 8.370 nan 0.000 0.493 193 N N -1.062 117.752 118.700 0.190 0.000 2.455 193 N HA 0.095 4.838 4.740 0.005 0.000 0.278 193 N C 0.325 175.918 175.510 0.137 0.000 1.291 193 N CA -0.640 52.494 53.050 0.140 0.000 0.780 193 N CB 1.512 40.065 38.487 0.110 0.000 1.520 193 N HN -0.302 nan 8.380 nan 0.000 0.486 194 E N 0.331 120.589 120.200 0.097 0.000 2.085 194 E HA -0.205 4.147 4.350 0.005 0.000 0.194 194 E C 0.661 177.333 176.600 0.121 0.000 0.994 194 E CA 1.485 57.932 56.400 0.077 0.000 0.801 194 E CB 0.053 29.799 29.700 0.076 0.000 0.743 194 E HN 0.599 nan 8.360 nan 0.000 0.453 195 K N 0.633 121.133 120.400 0.166 0.000 1.977 195 K HA -0.219 4.104 4.320 0.005 0.000 0.218 195 K C 2.132 178.892 176.600 0.266 0.000 1.051 195 K CA 2.033 58.478 56.287 0.263 0.000 0.953 195 K CB -0.281 32.302 32.500 0.139 0.000 0.727 195 K HN 0.111 nan 8.250 nan 0.000 0.445 196 E N 0.778 121.121 120.200 0.237 0.000 2.114 196 E HA -0.240 4.113 4.350 0.005 0.000 0.199 196 E C 1.929 178.699 176.600 0.283 0.000 1.008 196 E CA 1.059 57.648 56.400 0.316 0.000 0.810 196 E CB -0.154 29.784 29.700 0.395 0.000 0.739 196 E HN 0.136 nan 8.360 nan 0.000 0.456 197 L N 1.122 122.343 121.223 -0.004 0.000 1.943 197 L HA -0.214 4.129 4.340 0.005 0.000 0.215 197 L C 2.154 178.889 176.870 -0.226 0.000 1.074 197 L CA 1.751 56.218 54.840 -0.621 0.000 0.759 197 L CB -1.147 40.631 42.059 -0.469 0.000 0.888 197 L HN 0.221 nan 8.230 nan 0.000 0.433 198 L N -1.316 119.861 121.223 -0.078 0.000 1.971 198 L HA -0.321 4.022 4.340 0.005 0.000 0.215 198 L C 2.664 179.517 176.870 -0.027 0.000 1.072 198 L CA 1.536 56.337 54.840 -0.066 0.000 0.758 198 L CB -0.790 41.186 42.059 -0.138 0.000 0.889 198 L HN 0.339 nan 8.230 nan 0.000 0.433 199 M N -0.300 119.320 119.600 0.033 0.000 2.147 199 M HA -0.288 4.194 4.480 0.005 0.000 0.253 199 M C 2.319 178.719 176.300 0.167 0.000 1.075 199 M CA 1.907 57.264 55.300 0.095 0.000 1.085 199 M CB -1.002 31.761 32.600 0.272 0.000 1.305 199 M HN 0.232 nan 8.290 nan 0.000 0.409 200 E N -0.855 119.511 120.200 0.276 0.000 2.038 200 E HA -0.217 4.135 4.350 0.005 0.000 0.195 200 E C 1.975 178.865 176.600 0.484 0.000 1.000 200 E CA 1.252 57.897 56.400 0.409 0.000 0.803 200 E CB -0.774 29.299 29.700 0.621 0.000 0.750 200 E HN 0.547 nan 8.360 nan 0.000 0.448 201 Y N 1.318 121.749 120.300 0.219 0.000 2.151 201 Y HA -0.243 4.309 4.550 0.005 0.000 0.284 201 Y C 2.235 178.241 175.900 0.176 0.000 1.166 201 Y CA 0.950 59.068 58.100 0.029 0.000 1.163 201 Y CB -0.757 37.436 38.460 -0.445 0.000 0.974 201 Y HN 0.037 nan 8.280 nan 0.000 0.511 202 L N 1.390 122.684 121.223 0.119 0.000 1.971 202 L HA -0.287 4.056 4.340 0.005 0.000 0.215 202 L C 2.055 179.022 176.870 0.161 0.000 1.072 202 L CA 2.141 56.960 54.840 -0.036 0.000 0.758 202 L CB -1.577 40.395 42.059 -0.146 0.000 0.889 202 L HN 0.271 nan 8.230 nan 0.000 0.433 203 N N -0.697 118.126 118.700 0.206 0.000 2.149 203 N HA -0.270 4.472 4.740 0.005 0.000 0.188 203 N C 1.880 177.548 175.510 0.262 0.000 1.019 203 N CA 1.694 54.869 53.050 0.208 0.000 0.857 203 N CB -0.702 37.909 38.487 0.207 0.000 0.997 203 N HN 0.460 nan 8.380 nan 0.000 0.426 204 F N 0.079 120.169 119.950 0.234 0.000 2.095 204 F HA -0.186 4.344 4.527 0.004 0.000 0.298 204 F C 2.381 178.249 175.800 0.113 0.000 1.104 204 F CA 1.422 59.550 58.000 0.212 0.000 1.232 204 F CB -0.503 38.735 39.000 0.397 0.000 0.987 204 F HN 0.066 nan 8.300 nan 0.000 0.475 205 W N 1.505 122.894 121.300 0.148 0.000 2.353 205 W HA -0.190 4.473 4.660 0.004 0.000 0.319 205 W C 2.587 178.997 176.519 -0.181 0.000 1.207 205 W CA 1.983 59.278 57.345 -0.084 0.000 1.291 205 W CB -0.505 28.851 29.460 -0.173 0.000 1.159 205 W HN 0.055 nan 8.180 nan 0.000 0.478 206 Q N -0.250 119.740 119.800 0.317 0.000 2.368 206 Q HA -0.292 4.051 4.340 0.005 0.000 0.210 206 Q C 1.983 177.994 176.000 0.018 0.000 0.982 206 Q CA 1.542 57.456 55.803 0.185 0.000 0.884 206 Q CB -0.275 28.525 28.738 0.103 0.000 0.933 206 Q HN 0.575 nan 8.270 nan 0.000 0.460 207 Q N 1.161 120.917 119.800 -0.074 0.000 2.042 207 Q HA -0.012 4.331 4.340 0.005 0.000 0.194 207 Q C 0.046 175.878 176.000 -0.280 0.000 0.978 207 Q CA 0.466 56.178 55.803 -0.152 0.000 0.828 207 Q CB 0.510 29.155 28.738 -0.154 0.000 0.901 207 Q HN 0.077 nan 8.270 nan 0.000 0.461 208 K N 2.309 122.410 120.400 -0.498 0.000 2.180 208 K HA 0.213 4.535 4.320 0.005 0.000 0.250 208 K C -1.067 175.114 176.600 -0.698 0.000 1.135 208 K CA -0.074 55.863 56.287 -0.583 0.000 1.037 208 K CB 0.916 32.953 32.500 -0.771 0.000 1.624 208 K HN 0.077 nan 8.250 nan 0.000 0.382 209 T N 4.331 118.558 114.554 -0.545 0.000 2.737 209 T HA 0.164 4.516 4.350 0.005 0.000 0.296 209 T C -2.192 172.143 174.700 -0.608 0.000 0.922 209 T CA -1.380 60.297 62.100 -0.705 0.000 1.079 209 T CB 0.649 69.360 68.868 -0.262 0.000 0.892 209 T HN 0.223 nan 8.240 nan 0.000 0.514 210 P HA 0.182 nan 4.420 nan 0.000 0.271 210 P C 0.430 177.579 177.300 -0.251 0.000 1.233 210 P CA -0.325 62.506 63.100 -0.449 0.000 0.789 210 P CB 0.728 32.160 31.700 -0.447 0.000 0.951 211 V N 0.716 120.527 119.914 -0.172 0.000 2.854 211 V HA 0.184 4.306 4.120 0.005 0.000 0.236 211 V C 0.730 176.773 176.094 -0.085 0.000 1.157 211 V CA 0.627 62.862 62.300 -0.108 0.000 1.187 211 V CB 0.105 31.869 31.823 -0.099 0.000 0.949 211 V HN 0.359 nan 8.190 nan 0.000 0.488 212 I N 1.859 122.376 120.570 -0.089 0.000 2.377 212 I HA 0.363 4.536 4.170 0.005 0.000 0.293 212 I C -1.114 174.961 176.117 -0.070 0.000 0.987 212 I CA -0.384 60.877 61.300 -0.065 0.000 1.185 212 I CB 1.750 39.723 38.000 -0.046 0.000 1.341 212 I HN 0.077 nan 8.210 nan 0.000 0.455 213 L N 6.198 127.397 121.223 -0.040 0.000 2.325 213 L HA 0.560 4.903 4.340 0.005 0.000 0.281 213 L C -0.191 176.709 176.870 0.049 0.000 1.004 213 L CA 0.119 54.937 54.840 -0.038 0.000 0.823 213 L CB 1.545 43.588 42.059 -0.028 0.000 1.236 213 L HN 0.658 nan 8.230 nan 0.000 0.415 214 T N 2.010 116.622 114.554 0.097 0.000 2.888 214 T HA 0.974 5.327 4.350 0.005 0.000 0.288 214 T C -0.057 174.811 174.700 0.280 0.000 1.063 214 T CA -0.356 61.858 62.100 0.190 0.000 1.010 214 T CB 2.413 71.407 68.868 0.210 0.000 1.214 214 T HN 0.862 nan 8.240 nan 0.000 0.533 215 G N -0.496 108.464 108.800 0.267 0.000 2.336 215 G HA2 0.387 4.349 3.960 0.005 0.000 0.286 215 G HA3 0.387 4.349 3.960 0.005 0.000 0.286 215 G C -2.372 172.710 174.900 0.304 0.000 1.269 215 G CA -0.799 44.455 45.100 0.256 0.000 0.873 215 G HN 0.667 nan 8.290 nan 0.000 0.494 216 W N 2.017 123.340 121.300 0.038 0.000 2.463 216 W HA 0.500 5.164 4.660 0.006 0.000 0.316 216 W C 0.403 176.944 176.519 0.038 0.000 1.004 216 W CA -0.258 57.106 57.345 0.033 0.000 1.309 216 W CB 0.697 30.143 29.460 -0.023 0.000 1.288 216 W HN 0.799 nan 8.180 nan 0.000 0.423 217 N N 3.351 121.994 118.700 -0.096 0.000 2.776 217 N HA -0.227 4.516 4.740 0.005 0.000 0.250 217 N C 0.797 176.375 175.510 0.114 0.000 1.112 217 N CA 1.070 54.118 53.050 -0.004 0.000 0.733 217 N CB -0.784 37.763 38.487 0.100 0.000 1.097 217 N HN 0.407 nan 8.380 nan 0.000 0.558 218 V N 0.437 120.411 119.914 0.101 0.000 2.343 218 V HA -0.193 3.930 4.120 0.005 0.000 0.247 218 V C 2.217 178.383 176.094 0.120 0.000 1.051 218 V CA 2.831 65.220 62.300 0.148 0.000 1.036 218 V CB -0.080 31.887 31.823 0.240 0.000 0.654 218 V HN 0.437 nan 8.190 nan 0.000 0.451 219 E N -0.023 120.210 120.200 0.056 0.000 2.016 219 E HA -0.166 4.187 4.350 0.005 0.000 0.190 219 E C 2.295 178.895 176.600 -0.001 0.000 0.985 219 E CA 1.583 57.990 56.400 0.011 0.000 0.802 219 E CB -0.186 29.488 29.700 -0.042 0.000 0.762 219 E HN 0.785 nan 8.360 nan 0.000 0.448 220 S N -0.244 115.455 115.700 -0.001 0.000 2.368 220 S HA -0.145 4.328 4.470 0.005 0.000 0.225 220 S C 1.658 176.326 174.600 0.114 0.000 1.030 220 S CA 1.220 59.429 58.200 0.015 0.000 0.999 220 S CB -0.309 62.886 63.200 -0.009 0.000 0.844 220 S HN 0.387 nan 8.310 nan 0.000 0.459 221 F N 1.877 121.836 119.950 0.016 0.000 2.534 221 F HA 0.225 4.754 4.527 0.004 0.000 0.274 221 F C 1.588 177.443 175.800 0.093 0.000 0.917 221 F CA 0.367 58.405 58.000 0.063 0.000 1.145 221 F CB -0.409 38.630 39.000 0.066 0.000 1.145 221 F HN -0.085 nan 8.300 nan 0.000 0.746 222 D N 1.613 121.932 120.400 -0.135 0.000 2.242 222 D HA -0.272 4.370 4.640 0.005 0.000 0.193 222 D C 2.398 178.622 176.300 -0.128 0.000 1.005 222 D CA 2.633 56.485 54.000 -0.248 0.000 0.856 222 D CB -0.937 39.739 40.800 -0.207 0.000 1.001 222 D HN 0.360 nan 8.370 nan 0.000 0.452 223 I N 1.427 122.049 120.570 0.086 0.000 2.113 223 I HA -0.279 3.893 4.170 0.005 0.000 0.242 223 I C -0.593 175.540 176.117 0.028 0.000 1.057 223 I CA 1.524 62.909 61.300 0.142 0.000 1.314 223 I CB -1.403 36.665 38.000 0.115 0.000 1.022 223 I HN 0.090 nan 8.210 nan 0.000 0.408 224 P HA -0.198 nan 4.420 nan 0.000 0.213 224 P C 1.628 178.898 177.300 -0.050 0.000 1.170 224 P CA 1.410 64.482 63.100 -0.047 0.000 0.893 224 P CB -0.141 31.510 31.700 -0.081 0.000 0.784 225 Y N 0.571 120.702 120.300 -0.281 0.000 2.002 225 Y HA -0.321 4.232 4.550 0.004 0.000 0.268 225 Y C 2.187 177.991 175.900 -0.159 0.000 1.177 225 Y CA 1.613 59.537 58.100 -0.293 0.000 1.111 225 Y CB -1.274 36.852 38.460 -0.557 0.000 0.952 225 Y HN -0.302 nan 8.280 nan 0.000 0.491 226 V N -0.400 119.601 119.914 0.145 0.000 2.225 226 V HA -0.444 3.679 4.120 0.005 0.000 0.252 226 V C 1.993 178.071 176.094 -0.027 0.000 1.055 226 V CA 2.393 64.739 62.300 0.077 0.000 1.032 226 V CB -1.533 30.328 31.823 0.064 0.000 0.655 226 V HN 0.604 nan 8.190 nan 0.000 0.458 227 Y N 1.870 122.081 120.300 -0.148 0.000 1.997 227 Y HA -0.360 4.193 4.550 0.006 0.000 0.265 227 Y C 2.604 178.402 175.900 -0.171 0.000 1.193 227 Y CA 2.295 60.287 58.100 -0.179 0.000 1.106 227 Y CB -0.827 37.536 38.460 -0.161 0.000 0.940 227 Y HN 0.348 nan 8.280 nan 0.000 0.494 228 N N 0.029 118.631 118.700 -0.164 0.000 1.997 228 N HA -0.265 4.478 4.740 0.005 0.000 0.198 228 N C 1.980 177.311 175.510 -0.298 0.000 1.063 228 N CA 1.738 54.626 53.050 -0.271 0.000 0.860 228 N CB -0.890 37.437 38.487 -0.267 0.000 1.063 228 N HN 0.200 nan 8.380 nan 0.000 0.424 229 R N 1.431 121.755 120.500 -0.294 0.000 2.196 229 R HA -0.145 4.197 4.340 0.005 0.000 0.244 229 R C 2.292 178.525 176.300 -0.111 0.000 1.121 229 R CA 1.501 57.497 56.100 -0.174 0.000 0.930 229 R CB -1.179 29.102 30.300 -0.031 0.000 0.890 229 R HN 0.389 nan 8.270 nan 0.000 0.435 230 I N 0.424 120.894 120.570 -0.166 0.000 2.068 230 I HA -0.416 3.757 4.170 0.005 0.000 0.238 230 I C 2.524 178.564 176.117 -0.128 0.000 1.046 230 I CA 2.271 63.445 61.300 -0.210 0.000 1.306 230 I CB -0.618 37.159 38.000 -0.371 0.000 1.023 230 I HN 0.353 nan 8.210 nan 0.000 0.399 231 K N 1.368 121.596 120.400 -0.287 0.000 2.127 231 K HA -0.249 4.074 4.320 0.005 0.000 0.208 231 K C 1.727 178.263 176.600 -0.106 0.000 1.047 231 K CA 2.068 58.208 56.287 -0.245 0.000 0.927 231 K CB -0.263 31.977 32.500 -0.434 0.000 0.716 231 K HN 0.464 nan 8.250 nan 0.000 0.450 232 N N 0.671 119.311 118.700 -0.101 0.000 2.120 232 N HA -0.126 4.617 4.740 0.005 0.000 0.188 232 N C 1.910 177.422 175.510 0.004 0.000 1.024 232 N CA 1.749 54.766 53.050 -0.054 0.000 0.852 232 N CB -0.152 38.292 38.487 -0.071 0.000 1.003 232 N HN 0.460 nan 8.380 nan 0.000 0.424 233 I N -4.125 116.496 120.570 0.085 0.000 3.968 233 I HA 0.197 4.370 4.170 0.005 0.000 0.328 233 I C 0.498 176.633 176.117 0.030 0.000 1.290 233 I CA 0.437 61.781 61.300 0.073 0.000 1.163 233 I CB 0.107 38.179 38.000 0.121 0.000 1.024 233 I HN -0.131 nan 8.210 nan 0.000 0.413 234 F N 2.045 121.945 119.950 -0.084 0.000 2.819 234 F HA 0.562 5.092 4.527 0.005 0.000 0.325 234 F C 1.245 176.990 175.800 -0.090 0.000 1.041 234 F CA 0.371 58.324 58.000 -0.079 0.000 1.184 234 F CB 0.632 39.578 39.000 -0.090 0.000 1.019 234 F HN 0.207 nan 8.300 nan 0.000 0.590 235 G N 1.014 109.858 108.800 0.073 0.000 2.692 235 G HA2 -0.214 3.749 3.960 0.005 0.000 0.686 235 G HA3 -0.214 3.749 3.960 0.005 0.000 0.686 235 G C 0.295 175.156 174.900 -0.065 0.000 1.243 235 G CA -0.074 45.019 45.100 -0.012 0.000 0.782 235 G HN 0.246 nan 8.290 nan 0.000 0.625 236 E N 0.331 120.473 120.200 -0.095 0.000 2.033 236 E HA -0.167 4.185 4.350 0.005 0.000 0.199 236 E C 2.718 179.271 176.600 -0.078 0.000 1.011 236 E CA 2.417 58.743 56.400 -0.123 0.000 0.815 236 E CB -0.278 29.384 29.700 -0.064 0.000 0.755 236 E HN 0.639 nan 8.360 nan 0.000 0.451 237 S N -0.541 115.138 115.700 -0.035 0.000 2.414 237 S HA -0.319 4.154 4.470 0.005 0.000 0.241 237 S C 2.098 176.678 174.600 -0.032 0.000 1.079 237 S CA 1.964 60.151 58.200 -0.020 0.000 1.087 237 S CB -0.873 62.324 63.200 -0.006 0.000 0.927 237 S HN 0.557 nan 8.310 nan 0.000 0.456 238 T N 0.662 115.195 114.554 -0.036 0.000 3.009 238 T HA 0.254 4.606 4.350 0.005 0.000 0.258 238 T C 1.824 176.433 174.700 -0.152 0.000 1.063 238 T CA 1.039 63.105 62.100 -0.057 0.000 1.139 238 T CB -0.359 68.528 68.868 0.033 0.000 0.890 238 T HN 0.365 nan 8.240 nan 0.000 0.471 239 A N 1.564 124.269 122.820 -0.192 0.000 1.933 239 A HA 0.001 4.324 4.320 0.005 0.000 0.218 239 A C 2.343 179.856 177.584 -0.118 0.000 1.175 239 A CA 1.529 53.389 52.037 -0.296 0.000 0.628 239 A CB -0.551 18.090 19.000 -0.597 0.000 0.814 239 A HN 0.576 nan 8.150 nan 0.000 0.444 240 K N -0.410 119.968 120.400 -0.037 0.000 2.113 240 K HA -0.148 4.175 4.320 0.005 0.000 0.208 240 K C 1.923 178.481 176.600 -0.071 0.000 1.047 240 K CA 1.294 57.596 56.287 0.024 0.000 0.928 240 K CB -0.211 32.297 32.500 0.014 0.000 0.716 240 K HN 0.392 nan 8.250 nan 0.000 0.446 241 R N 0.770 121.201 120.500 -0.115 0.000 2.371 241 R HA -0.122 4.220 4.340 0.005 0.000 0.226 241 R C 2.007 178.158 176.300 -0.249 0.000 1.132 241 R CA 0.562 56.574 56.100 -0.146 0.000 1.027 241 R CB -0.334 29.891 30.300 -0.125 0.000 0.848 241 R HN 0.283 nan 8.270 nan 0.000 0.479 242 L N 0.538 121.556 121.223 -0.342 0.000 2.376 242 L HA -0.035 4.307 4.340 0.005 0.000 0.219 242 L C 1.063 177.541 176.870 -0.653 0.000 1.133 242 L CA 0.363 54.797 54.840 -0.678 0.000 0.816 242 L CB 0.102 41.771 42.059 -0.649 0.000 0.933 242 L HN 0.030 nan 8.230 nan 0.000 0.449 243 S N -0.855 114.660 115.700 -0.308 0.000 2.541 243 S HA 0.279 4.752 4.470 0.005 0.000 0.283 243 S C -1.427 173.074 174.600 -0.166 0.000 1.196 243 S CA -1.583 56.502 58.200 -0.192 0.000 1.062 243 S CB 1.240 64.385 63.200 -0.092 0.000 1.009 243 S HN -0.065 nan 8.310 nan 0.000 0.502 244 P HA -0.099 nan 4.420 nan 0.000 0.217 244 P C 0.275 177.385 177.300 -0.317 0.000 1.150 244 P CA 1.511 64.455 63.100 -0.259 0.000 0.832 244 P CB -0.273 31.201 31.700 -0.377 0.000 0.787 245 H N -0.999 117.990 119.070 -0.136 0.000 2.526 245 H HA 0.310 4.869 4.556 0.004 0.000 0.274 245 H C 0.306 175.485 175.328 -0.249 0.000 0.999 245 H CA -0.472 55.392 56.048 -0.306 0.000 1.157 245 H CB -0.297 29.161 29.762 -0.507 0.000 1.407 245 H HN -0.082 nan 8.280 nan 0.000 0.568 246 R N 0.918 121.352 120.500 -0.111 0.000 3.484 246 R HA -0.178 4.165 4.340 0.005 0.000 0.260 246 R C -0.350 175.904 176.300 -0.077 0.000 1.053 246 R CA 0.519 56.566 56.100 -0.088 0.000 0.703 246 R CB -1.080 29.174 30.300 -0.076 0.000 1.089 246 R HN 0.286 nan 8.270 nan 0.000 0.459 247 K N 0.465 120.822 120.400 -0.072 0.000 2.375 247 K HA 0.581 4.904 4.320 0.005 0.000 0.249 247 K C -0.625 176.080 176.600 0.176 0.000 0.942 247 K CA -0.365 55.875 56.287 -0.078 0.000 0.806 247 K CB 2.561 34.815 32.500 -0.409 0.000 1.227 247 K HN 0.034 nan 8.250 nan 0.000 0.430 248 T N 1.084 115.774 114.554 0.226 0.000 2.830 248 T HA 0.396 4.749 4.350 0.005 0.000 0.322 248 T C -1.881 172.893 174.700 0.122 0.000 1.501 248 T CA -0.679 61.560 62.100 0.231 0.000 1.036 248 T CB 1.338 70.193 68.868 -0.023 0.000 1.379 248 T HN 0.686 nan 8.240 nan 0.000 0.493 249 R N 2.193 122.680 120.500 -0.023 0.000 2.628 249 R HA 0.796 5.139 4.340 0.005 0.000 0.288 249 R C -1.597 174.612 176.300 -0.151 0.000 0.980 249 R CA -0.583 55.483 56.100 -0.056 0.000 0.891 249 R CB 1.630 31.902 30.300 -0.048 0.000 1.188 249 R HN 0.460 nan 8.270 nan 0.000 0.450 250 V N 3.624 123.478 119.914 -0.100 0.000 2.532 250 V HA 0.483 4.606 4.120 0.005 0.000 0.295 250 V C -0.441 175.606 176.094 -0.078 0.000 1.041 250 V CA -0.690 61.546 62.300 -0.106 0.000 0.926 250 V CB 1.688 33.487 31.823 -0.041 0.000 0.992 250 V HN 0.729 nan 8.190 nan 0.000 0.457 251 K N 2.992 123.341 120.400 -0.085 0.000 2.541 251 K HA 0.664 4.986 4.320 0.005 0.000 0.250 251 K C -1.345 175.224 176.600 -0.052 0.000 0.950 251 K CA -0.577 55.669 56.287 -0.067 0.000 0.805 251 K CB 2.475 34.924 32.500 -0.084 0.000 1.166 251 K HN 0.436 nan 8.250 nan 0.000 0.430 252 V N 4.377 124.271 119.914 -0.034 0.000 2.716 252 V HA 0.500 4.623 4.120 0.005 0.000 0.304 252 V C 0.210 176.293 176.094 -0.017 0.000 1.053 252 V CA -0.612 61.676 62.300 -0.020 0.000 0.984 252 V CB 1.274 33.094 31.823 -0.006 0.000 1.021 252 V HN 0.627 nan 8.190 nan 0.000 0.467 253 I N 1.661 122.229 120.570 -0.004 0.000 3.108 253 I HA 0.630 4.802 4.170 0.005 0.000 0.312 253 I C -0.243 175.910 176.117 0.060 0.000 1.095 253 I CA -0.616 60.692 61.300 0.013 0.000 1.000 253 I CB 2.525 40.524 38.000 -0.000 0.000 1.229 253 I HN 0.597 nan 8.210 nan 0.000 0.454 254 E N 0.936 121.187 120.200 0.084 0.000 2.469 254 E HA 0.581 4.934 4.350 0.005 0.000 0.237 254 E C -0.693 175.990 176.600 0.139 0.000 0.840 254 E CA -0.345 56.120 56.400 0.108 0.000 0.894 254 E CB 1.280 31.005 29.700 0.042 0.000 1.681 254 E HN 0.610 nan 8.360 nan 0.000 0.401 255 N N -1.182 117.513 118.700 -0.008 0.000 3.926 255 N HA -0.131 4.612 4.740 0.005 0.000 0.309 255 N C -0.475 174.784 175.510 -0.417 0.000 1.080 255 N CA 0.062 52.984 53.050 -0.213 0.000 1.016 255 N CB -1.058 37.275 38.487 -0.255 0.000 1.617 255 N HN 0.430 nan 8.380 nan 0.000 0.279 256 M N 1.473 120.617 119.600 -0.760 0.000 2.800 256 M HA -0.030 4.452 4.480 0.005 0.000 0.235 256 M C 0.076 176.020 176.300 -0.592 0.000 1.057 256 M CA 1.190 56.119 55.300 -0.618 0.000 1.066 256 M CB -1.404 30.872 32.600 -0.540 0.000 1.558 256 M HN 0.403 nan 8.290 nan 0.000 0.551 257 Y N -1.479 118.814 120.300 -0.011 0.000 3.131 257 Y HA 0.603 5.156 4.550 0.004 0.000 0.163 257 Y C 1.649 177.546 175.900 -0.005 0.000 0.886 257 Y CA 0.156 58.248 58.100 -0.013 0.000 1.800 257 Y CB -0.660 37.788 38.460 -0.019 0.000 1.321 257 Y HN 0.185 nan 8.280 nan 0.000 0.387 258 G N -0.089 108.842 108.800 0.218 0.000 2.204 258 G HA2 -0.038 3.925 3.960 0.005 0.000 0.153 258 G HA3 -0.038 3.925 3.960 0.005 0.000 0.153 258 G C -0.819 174.157 174.900 0.127 0.000 1.295 258 G CA -0.560 44.608 45.100 0.113 0.000 1.257 258 G HN 0.820 nan 8.290 nan 0.000 0.495 259 S N 0.883 116.629 115.700 0.076 0.000 2.887 259 S HA 0.406 4.879 4.470 0.005 0.000 0.337 259 S C 0.257 174.877 174.600 0.032 0.000 1.209 259 S CA 0.577 58.805 58.200 0.047 0.000 1.186 259 S CB 0.272 63.489 63.200 0.029 0.000 0.925 259 S HN 0.714 nan 8.310 nan 0.000 0.522 260 R N 2.681 123.187 120.500 0.009 0.000 2.545 260 R HA 0.223 4.566 4.340 0.005 0.000 0.289 260 R C -0.839 175.439 176.300 -0.038 0.000 1.327 260 R CA -0.236 55.837 56.100 -0.046 0.000 1.040 260 R CB 1.364 31.601 30.300 -0.106 0.000 1.176 260 R HN 0.780 nan 8.270 nan 0.000 0.518 261 E N 2.585 122.763 120.200 -0.036 0.000 2.248 261 E HA 0.402 4.754 4.350 0.005 0.000 0.272 261 E C -0.135 176.427 176.600 -0.063 0.000 1.008 261 E CA -0.892 55.481 56.400 -0.045 0.000 0.856 261 E CB 1.848 31.525 29.700 -0.038 0.000 1.120 261 E HN 0.414 nan 8.360 nan 0.000 0.397 262 I N -0.627 119.894 120.570 -0.082 0.000 2.503 262 I HA 0.344 4.517 4.170 0.005 0.000 0.282 262 I C -1.311 174.724 176.117 -0.136 0.000 1.059 262 I CA -0.795 60.446 61.300 -0.099 0.000 1.081 262 I CB 0.630 38.572 38.000 -0.098 0.000 1.210 262 I HN 0.258 nan 8.210 nan 0.000 0.450 263 I N 5.420 125.888 120.570 -0.170 0.000 2.634 263 I HA 0.296 4.469 4.170 0.005 0.000 0.284 263 I C 0.850 176.823 176.117 -0.240 0.000 1.124 263 I CA 0.362 61.501 61.300 -0.268 0.000 1.417 263 I CB 1.322 39.073 38.000 -0.415 0.000 1.396 263 I HN 0.770 nan 8.210 nan 0.000 0.571 264 T N 5.104 119.495 114.554 -0.271 0.000 2.853 264 T HA 0.563 4.916 4.350 0.005 0.000 0.317 264 T C -0.220 174.297 174.700 -0.306 0.000 1.059 264 T CA -0.727 61.208 62.100 -0.276 0.000 0.954 264 T CB -0.131 68.547 68.868 -0.315 0.000 0.994 264 T HN 0.267 nan 8.240 nan 0.000 0.479 265 L N 3.850 124.935 121.223 -0.230 0.000 2.456 265 L HA 0.297 4.639 4.340 0.005 0.000 0.277 265 L C 0.105 176.910 176.870 -0.109 0.000 1.124 265 L CA -0.670 54.072 54.840 -0.163 0.000 0.880 265 L CB -0.098 41.891 42.059 -0.117 0.000 1.192 265 L HN 0.599 nan 8.230 nan 0.000 0.463 266 F N 3.656 123.553 119.950 -0.088 0.000 2.504 266 F HA 0.248 4.778 4.527 0.004 0.000 0.365 266 F C 1.284 177.080 175.800 -0.006 0.000 1.140 266 F CA 0.819 58.807 58.000 -0.020 0.000 1.077 266 F CB 0.068 39.066 39.000 -0.004 0.000 1.106 266 F HN 0.668 nan 8.300 nan 0.000 0.578 267 G N 4.445 113.388 108.800 0.239 0.000 2.135 267 G HA2 -0.149 3.813 3.960 0.005 0.000 0.183 267 G HA3 -0.149 3.813 3.960 0.005 0.000 0.183 267 G C -0.333 174.595 174.900 0.046 0.000 1.004 267 G CA -0.166 45.039 45.100 0.175 0.000 0.677 267 G HN 0.842 nan 8.290 nan 0.000 0.512 268 I N -3.096 117.491 120.570 0.028 0.000 2.627 268 I HA 0.646 4.818 4.170 0.005 0.000 0.288 268 I C -0.320 175.787 176.117 -0.017 0.000 1.202 268 I CA -1.015 60.291 61.300 0.009 0.000 1.050 268 I CB 1.855 39.888 38.000 0.055 0.000 1.264 268 I HN -0.080 nan 8.210 nan 0.000 0.429 269 S N 4.759 120.438 115.700 -0.034 0.000 2.422 269 S HA 0.376 4.849 4.470 0.005 0.000 0.283 269 S C 0.089 174.664 174.600 -0.041 0.000 1.163 269 S CA -0.440 57.728 58.200 -0.052 0.000 1.054 269 S CB 0.962 64.113 63.200 -0.082 0.000 0.967 269 S HN 0.420 nan 8.310 nan 0.000 0.499 270 V N 6.212 126.112 119.914 -0.024 0.000 2.407 270 V HA 0.355 4.477 4.120 0.005 0.000 0.278 270 V C -0.077 176.044 176.094 0.044 0.000 1.037 270 V CA -0.391 61.914 62.300 0.009 0.000 0.900 270 V CB 0.842 32.673 31.823 0.013 0.000 0.983 270 V HN 0.709 nan 8.190 nan 0.000 0.459 271 L N 4.142 125.397 121.223 0.053 0.000 2.417 271 L HA 0.420 4.762 4.340 0.005 0.000 0.259 271 L C -0.269 176.671 176.870 0.118 0.000 1.023 271 L CA -0.538 54.356 54.840 0.090 0.000 0.901 271 L CB 1.428 43.455 42.059 -0.053 0.000 1.227 271 L HN 0.537 nan 8.230 nan 0.000 0.454 272 D N 0.954 121.423 120.400 0.115 0.000 2.450 272 D HA -0.101 4.542 4.640 0.005 0.000 0.247 272 D C 0.767 177.054 176.300 -0.022 0.000 1.162 272 D CA 0.402 54.416 54.000 0.022 0.000 0.879 272 D CB 0.866 41.606 40.800 -0.100 0.000 1.163 272 D HN 0.327 nan 8.370 nan 0.000 0.472 273 Y N 3.834 124.086 120.300 -0.081 0.000 2.256 273 Y HA -0.197 4.357 4.550 0.006 0.000 0.288 273 Y C 2.141 177.858 175.900 -0.305 0.000 1.155 273 Y CA 1.192 59.246 58.100 -0.076 0.000 1.203 273 Y CB -0.121 38.393 38.460 0.089 0.000 0.980 273 Y HN 0.610 nan 8.280 nan 0.000 0.530 274 I N -0.268 119.949 120.570 -0.589 0.000 2.076 274 I HA -0.402 3.770 4.170 0.005 0.000 0.237 274 I C 2.006 177.798 176.117 -0.541 0.000 1.059 274 I CA 2.211 62.949 61.300 -0.936 0.000 1.317 274 I CB -0.382 36.942 38.000 -1.126 0.000 1.037 274 I HN 0.173 nan 8.210 nan 0.000 0.398 275 D N 0.804 120.919 120.400 -0.474 0.000 2.103 275 D HA -0.248 4.394 4.640 0.005 0.000 0.190 275 D C 2.076 178.182 176.300 -0.323 0.000 0.997 275 D CA 1.663 55.372 54.000 -0.485 0.000 0.833 275 D CB -0.864 39.438 40.800 -0.830 0.000 0.961 275 D HN 0.355 nan 8.370 nan 0.000 0.447 276 L N 0.232 121.341 121.223 -0.190 0.000 2.211 276 L HA -0.252 4.091 4.340 0.005 0.000 0.216 276 L C 2.050 178.494 176.870 -0.709 0.000 1.092 276 L CA 1.553 56.146 54.840 -0.412 0.000 0.767 276 L CB -0.948 40.819 42.059 -0.487 0.000 0.894 276 L HN 0.093 nan 8.230 nan 0.000 0.437 277 Y N 0.531 120.528 120.300 -0.504 0.000 2.134 277 Y HA -0.156 4.397 4.550 0.005 0.000 0.283 277 Y C 2.461 178.219 175.900 -0.236 0.000 1.108 277 Y CA 2.009 59.988 58.100 -0.201 0.000 1.096 277 Y CB -0.363 38.091 38.460 -0.011 0.000 1.005 277 Y HN 0.140 nan 8.280 nan 0.000 0.487 278 K N 0.199 120.549 120.400 -0.083 0.000 2.207 278 K HA -0.258 4.065 4.320 0.005 0.000 0.208 278 K C 1.811 178.327 176.600 -0.141 0.000 1.046 278 K CA 1.796 58.004 56.287 -0.133 0.000 0.929 278 K CB -0.134 32.218 32.500 -0.246 0.000 0.720 278 K HN 0.265 nan 8.250 nan 0.000 0.463 279 K N 0.223 120.514 120.400 -0.183 0.000 2.005 279 K HA -0.028 4.295 4.320 0.005 0.000 0.206 279 K C 1.935 178.515 176.600 -0.033 0.000 1.044 279 K CA 1.267 57.541 56.287 -0.022 0.000 0.942 279 K CB -0.358 32.239 32.500 0.161 0.000 0.727 279 K HN 0.132 nan 8.250 nan 0.000 0.439 280 F N 2.367 121.871 119.950 -0.742 0.000 2.789 280 F HA 0.088 4.618 4.527 0.006 0.000 0.300 280 F C 2.236 177.502 175.800 -0.890 0.000 1.132 280 F CA -0.205 57.172 58.000 -1.037 0.000 1.404 280 F CB -1.516 36.644 39.000 -1.400 0.000 1.114 280 F HN -0.017 nan 8.300 nan 0.000 0.584 281 S N 0.361 115.769 115.700 -0.486 0.000 2.368 281 S HA -0.301 4.171 4.470 0.005 0.000 0.226 281 S C 1.067 175.709 174.600 0.071 0.000 1.044 281 S CA 1.136 59.134 58.200 -0.336 0.000 1.062 281 S CB -0.982 61.854 63.200 -0.606 0.000 0.931 281 S HN 0.225 nan 8.310 nan 0.000 0.440 282 F N 2.310 122.246 119.950 -0.024 0.000 3.018 282 F HA -0.126 4.403 4.527 0.003 0.000 0.287 282 F C 0.381 176.225 175.800 0.073 0.000 0.813 282 F CA 0.865 58.881 58.000 0.027 0.000 1.209 282 F CB -2.393 36.627 39.000 0.033 0.000 1.321 282 F HN 0.698 nan 8.300 nan 0.000 0.477 283 T N -2.115 112.605 114.554 0.277 0.000 3.170 283 T HA 0.322 4.674 4.350 0.005 0.000 0.315 283 T C -0.414 174.436 174.700 0.250 0.000 0.967 283 T CA -0.774 61.483 62.100 0.261 0.000 1.024 283 T CB 1.773 70.863 68.868 0.370 0.000 1.018 283 T HN 0.372 nan 8.240 nan 0.000 0.449 284 N N 3.042 121.852 118.700 0.184 0.000 2.492 284 N HA 0.141 4.884 4.740 0.005 0.000 0.262 284 N C -0.673 174.920 175.510 0.138 0.000 1.202 284 N CA 0.142 53.296 53.050 0.173 0.000 0.926 284 N CB 0.964 39.516 38.487 0.109 0.000 1.078 284 N HN 0.636 nan 8.380 nan 0.000 0.454 285 Q N 2.030 121.901 119.800 0.118 0.000 2.413 285 Q HA 0.483 4.826 4.340 0.005 0.000 0.276 285 Q C -1.661 174.257 176.000 -0.137 0.000 1.099 285 Q CA -1.395 54.357 55.803 -0.085 0.000 0.814 285 Q CB 2.236 30.749 28.738 -0.373 0.000 1.379 285 Q HN 0.474 nan 8.270 nan 0.000 0.436 286 P HA 0.119 nan 4.420 nan 0.000 0.220 286 P C -0.236 177.057 177.300 -0.012 0.000 1.154 286 P CA 0.329 63.426 63.100 -0.004 0.000 0.837 286 P CB 0.772 32.483 31.700 0.019 0.000 0.815 287 S N -1.917 113.799 115.700 0.027 0.000 2.588 287 S HA 0.531 5.003 4.470 0.005 0.000 0.275 287 S C -1.230 173.430 174.600 0.100 0.000 1.130 287 S CA -0.484 57.772 58.200 0.094 0.000 0.855 287 S CB 0.799 64.061 63.200 0.103 0.000 1.116 287 S HN -0.111 nan 8.310 nan 0.000 0.472 288 Y N 1.370 121.869 120.300 0.331 0.000 2.706 288 Y HA 0.274 4.827 4.550 0.005 0.000 0.255 288 Y C 1.014 177.175 175.900 0.435 0.000 1.163 288 Y CA -0.473 57.842 58.100 0.359 0.000 1.174 288 Y CB 0.209 38.840 38.460 0.284 0.000 1.200 288 Y HN 0.601 nan 8.280 nan 0.000 0.544 289 S N 0.709 116.662 115.700 0.421 0.000 2.575 289 S HA -0.077 4.396 4.470 0.005 0.000 0.295 289 S C 1.486 176.159 174.600 0.122 0.000 1.267 289 S CA -0.372 57.996 58.200 0.280 0.000 1.074 289 S CB 0.825 64.132 63.200 0.178 0.000 0.829 289 S HN 0.469 nan 8.310 nan 0.000 0.497 290 L N 2.969 124.087 121.223 -0.175 0.000 2.026 290 L HA -0.289 4.054 4.340 0.005 0.000 0.231 290 L C 2.098 178.702 176.870 -0.443 0.000 1.095 290 L CA 2.773 57.119 54.840 -0.823 0.000 0.810 290 L CB -1.427 40.018 42.059 -1.024 0.000 0.909 290 L HN 0.900 nan 8.230 nan 0.000 0.444 291 D N -2.110 118.164 120.400 -0.210 0.000 2.315 291 D HA -0.298 4.344 4.640 0.005 0.000 0.211 291 D C 2.030 178.355 176.300 0.042 0.000 0.977 291 D CA 1.562 55.512 54.000 -0.083 0.000 0.894 291 D CB -0.889 39.908 40.800 -0.005 0.000 0.910 291 D HN 0.627 nan 8.370 nan 0.000 0.490 292 Y N 0.998 121.258 120.300 -0.067 0.000 2.206 292 Y HA 0.066 4.619 4.550 0.005 0.000 0.292 292 Y C 1.898 177.816 175.900 0.030 0.000 1.123 292 Y CA 0.422 58.519 58.100 -0.005 0.000 1.142 292 Y CB -0.485 37.983 38.460 0.014 0.000 1.006 292 Y HN -0.133 nan 8.280 nan 0.000 0.518 293 I N 0.568 121.025 120.570 -0.189 0.000 2.315 293 I HA -0.232 3.941 4.170 0.005 0.000 0.248 293 I C 2.595 178.592 176.117 -0.200 0.000 1.117 293 I CA 1.768 62.912 61.300 -0.261 0.000 1.404 293 I CB -1.022 36.833 38.000 -0.242 0.000 1.071 293 I HN 0.252 nan 8.210 nan 0.000 0.419 294 S N -0.395 115.172 115.700 -0.223 0.000 2.419 294 S HA -0.195 4.278 4.470 0.005 0.000 0.233 294 S C 1.821 176.367 174.600 -0.091 0.000 1.016 294 S CA 1.029 59.110 58.200 -0.199 0.000 0.974 294 S CB -0.390 62.670 63.200 -0.233 0.000 0.786 294 S HN 0.470 nan 8.310 nan 0.000 0.492 295 E N 1.616 121.813 120.200 -0.006 0.000 1.997 295 E HA -0.080 4.273 4.350 0.005 0.000 0.196 295 E C 1.656 178.325 176.600 0.116 0.000 0.990 295 E CA 1.066 57.514 56.400 0.080 0.000 0.845 295 E CB -0.642 29.170 29.700 0.186 0.000 0.795 295 E HN 0.298 nan 8.360 nan 0.000 0.479 296 F N 1.807 121.740 119.950 -0.028 0.000 2.082 296 F HA -0.288 4.242 4.527 0.004 0.000 0.298 296 F C 1.889 177.678 175.800 -0.017 0.000 1.091 296 F CA 2.120 60.101 58.000 -0.031 0.000 1.230 296 F CB -0.517 38.410 39.000 -0.122 0.000 0.983 296 F HN 0.163 nan 8.300 nan 0.000 0.485 297 E N -0.043 119.963 120.200 -0.325 0.000 2.216 297 E HA 0.011 4.364 4.350 0.005 0.000 0.192 297 E C 1.947 178.420 176.600 -0.212 0.000 0.988 297 E CA 1.117 57.263 56.400 -0.423 0.000 0.834 297 E CB -0.024 29.458 29.700 -0.363 0.000 0.772 297 E HN 0.500 nan 8.360 nan 0.000 0.479 298 L N -0.228 120.919 121.223 -0.126 0.000 3.259 298 L HA 0.202 4.545 4.340 0.005 0.000 0.292 298 L C 0.497 177.348 176.870 -0.031 0.000 1.219 298 L CA -0.198 54.590 54.840 -0.087 0.000 1.035 298 L CB 0.391 42.381 42.059 -0.115 0.000 1.424 298 L HN -0.092 nan 8.230 nan 0.000 0.603 299 N N 0.116 118.819 118.700 0.005 0.000 2.282 299 N HA -0.279 4.464 4.740 0.005 0.000 0.222 299 N C 1.682 177.208 175.510 0.027 0.000 0.937 299 N CA 2.031 55.103 53.050 0.038 0.000 2.775 299 N CB -0.910 37.599 38.487 0.037 0.000 0.817 299 N HN 0.277 nan 8.380 nan 0.000 0.463 300 V N -3.035 116.882 119.914 0.006 0.000 2.242 300 V HA -0.070 4.052 4.120 0.005 0.000 0.257 300 V C 1.889 177.990 176.094 0.011 0.000 1.073 300 V CA 3.465 65.768 62.300 0.005 0.000 1.058 300 V CB -1.500 30.317 31.823 -0.010 0.000 0.664 300 V HN 1.262 nan 8.190 nan 0.000 0.451 301 G N -0.135 108.668 108.800 0.005 0.000 2.516 301 G HA2 -0.103 3.860 3.960 0.005 0.000 0.220 301 G HA3 -0.103 3.860 3.960 0.005 0.000 0.220 301 G C -0.337 174.564 174.900 0.001 0.000 1.165 301 G CA 0.321 45.430 45.100 0.015 0.000 1.013 301 G HN 0.901 nan 8.290 nan 0.000 0.590 302 K N -1.122 119.293 120.400 0.025 0.000 2.522 302 K HA 0.583 4.905 4.320 0.005 0.000 0.275 302 K C -1.054 175.609 176.600 0.105 0.000 1.006 302 K CA -1.030 55.290 56.287 0.055 0.000 0.890 302 K CB 2.014 34.562 32.500 0.079 0.000 1.475 302 K HN 0.847 nan 8.250 nan 0.000 0.441 303 L N 3.043 124.384 121.223 0.196 0.000 2.597 303 L HA 0.102 4.445 4.340 0.005 0.000 0.271 303 L C -0.688 176.300 176.870 0.197 0.000 1.157 303 L CA 0.933 55.908 54.840 0.225 0.000 0.928 303 L CB -0.443 41.827 42.059 0.351 0.000 1.216 303 L HN 0.389 nan 8.230 nan 0.000 0.481 304 K N 6.364 126.817 120.400 0.088 0.000 2.312 304 K HA 0.341 4.663 4.320 0.005 0.000 0.287 304 K C -0.869 175.759 176.600 0.046 0.000 1.062 304 K CA -0.201 56.079 56.287 -0.011 0.000 0.934 304 K CB 0.683 33.158 32.500 -0.041 0.000 1.027 304 K HN 0.641 nan 8.250 nan 0.000 0.478 305 Y N -0.689 119.574 120.300 -0.061 0.000 2.773 305 Y HA 0.609 5.161 4.550 0.004 0.000 0.323 305 Y C -0.919 174.955 175.900 -0.043 0.000 1.183 305 Y CA -1.514 56.543 58.100 -0.071 0.000 1.144 305 Y CB 1.080 39.443 38.460 -0.160 0.000 1.340 305 Y HN 0.380 nan 8.280 nan 0.000 0.531 306 D N -0.624 119.949 120.400 0.288 0.000 2.527 306 D HA 0.569 5.211 4.640 0.005 0.000 0.233 306 D C -0.232 176.224 176.300 0.260 0.000 1.063 306 D CA 0.540 54.635 54.000 0.158 0.000 0.880 306 D CB 1.897 42.752 40.800 0.093 0.000 1.457 306 D HN 1.101 nan 8.370 nan 0.000 0.475 307 G N 0.914 109.811 108.800 0.162 0.000 2.796 307 G HA2 -0.165 3.797 3.960 0.005 0.000 0.226 307 G HA3 -0.165 3.797 3.960 0.005 0.000 0.226 307 G C -2.524 172.527 174.900 0.253 0.000 1.381 307 G CA -1.227 43.973 45.100 0.168 0.000 0.867 307 G HN 0.432 nan 8.290 nan 0.000 0.552 308 P HA 0.215 nan 4.420 nan 0.000 0.271 308 P C 1.228 178.627 177.300 0.165 0.000 1.238 308 P CA -0.652 62.560 63.100 0.187 0.000 0.794 308 P CB 0.413 32.183 31.700 0.117 0.000 0.959 309 I N 0.553 121.167 120.570 0.074 0.000 3.428 309 I HA -0.087 4.086 4.170 0.005 0.000 0.286 309 I C 1.238 177.305 176.117 -0.083 0.000 1.287 309 I CA 1.375 62.589 61.300 -0.143 0.000 1.396 309 I CB -0.998 36.922 38.000 -0.135 0.000 1.062 309 I HN 0.240 nan 8.210 nan 0.000 0.471 310 S N -0.598 115.090 115.700 -0.020 0.000 2.470 310 S HA 0.051 4.524 4.470 0.005 0.000 0.222 310 S C 1.828 176.430 174.600 0.002 0.000 1.024 310 S CA -0.067 58.138 58.200 0.007 0.000 0.931 310 S CB 0.190 63.404 63.200 0.024 0.000 0.791 310 S HN 0.145 nan 8.310 nan 0.000 0.513 311 K N 2.105 122.511 120.400 0.010 0.000 1.980 311 K HA 0.208 4.531 4.320 0.005 0.000 0.208 311 K C 2.013 178.598 176.600 -0.025 0.000 1.043 311 K CA 0.656 56.947 56.287 0.006 0.000 0.938 311 K CB -1.363 31.160 32.500 0.040 0.000 0.724 311 K HN 0.265 nan 8.250 nan 0.000 0.438 312 L N 0.715 121.926 121.223 -0.020 0.000 2.425 312 L HA -0.451 3.892 4.340 0.005 0.000 0.231 312 L C 2.652 179.499 176.870 -0.039 0.000 1.140 312 L CA 2.610 57.437 54.840 -0.022 0.000 0.856 312 L CB -0.492 41.504 42.059 -0.105 0.000 0.960 312 L HN 0.331 nan 8.230 nan 0.000 0.446 313 R N -0.262 120.074 120.500 -0.272 0.000 2.080 313 R HA -0.236 4.106 4.340 0.005 0.000 0.236 313 R C 2.283 178.509 176.300 -0.122 0.000 1.137 313 R CA 2.147 57.965 56.100 -0.469 0.000 0.943 313 R CB -0.375 29.348 30.300 -0.962 0.000 0.846 313 R HN 0.622 nan 8.270 nan 0.000 0.431 314 E N 0.287 120.429 120.200 -0.096 0.000 2.007 314 E HA -0.191 4.161 4.350 0.005 0.000 0.194 314 E C 1.598 178.203 176.600 0.008 0.000 0.999 314 E CA 1.964 58.349 56.400 -0.026 0.000 0.811 314 E CB -0.301 29.387 29.700 -0.020 0.000 0.762 314 E HN 0.478 nan 8.360 nan 0.000 0.450 315 S N 0.297 116.003 115.700 0.010 0.000 2.571 315 S HA -0.123 4.350 4.470 0.005 0.000 0.245 315 S C 0.806 175.440 174.600 0.057 0.000 0.976 315 S CA 0.967 59.187 58.200 0.033 0.000 0.954 315 S CB -0.141 63.082 63.200 0.039 0.000 0.756 315 S HN 0.410 nan 8.310 nan 0.000 0.535 316 N N 0.112 118.859 118.700 0.078 0.000 3.823 316 N HA -0.120 4.623 4.740 0.005 0.000 0.116 316 N C 0.178 175.800 175.510 0.186 0.000 1.023 316 N CA -0.082 53.041 53.050 0.121 0.000 2.421 316 N CB -1.124 37.424 38.487 0.101 0.000 1.535 316 N HN 0.406 nan 8.380 nan 0.000 0.759 317 H N 0.651 119.769 119.070 0.080 0.000 2.496 317 H HA -0.182 4.376 4.556 0.005 0.000 0.296 317 H C 1.298 176.779 175.328 0.254 0.000 1.107 317 H CA 2.456 58.577 56.048 0.122 0.000 1.263 317 H CB 0.566 30.378 29.762 0.084 0.000 1.369 317 H HN 0.569 nan 8.280 nan 0.000 0.541 318 Q N 1.117 121.156 119.800 0.398 0.000 1.967 318 Q HA -0.165 4.178 4.340 0.005 0.000 0.202 318 Q C 2.760 178.990 176.000 0.383 0.000 0.985 318 Q CA 2.274 58.361 55.803 0.473 0.000 0.839 318 Q CB -0.345 28.573 28.738 0.300 0.000 0.906 318 Q HN 0.434 nan 8.270 nan 0.000 0.423 319 R N -1.299 119.343 120.500 0.237 0.000 2.096 319 R HA -0.204 4.139 4.340 0.005 0.000 0.235 319 R C 2.307 178.660 176.300 0.088 0.000 1.127 319 R CA 1.480 57.683 56.100 0.172 0.000 0.968 319 R CB -0.639 29.731 30.300 0.118 0.000 0.861 319 R HN 0.487 nan 8.270 nan 0.000 0.440 320 Y N 0.706 120.952 120.300 -0.089 0.000 2.102 320 Y HA -0.274 4.279 4.550 0.005 0.000 0.280 320 Y C 1.677 177.470 175.900 -0.178 0.000 1.178 320 Y CA 1.981 59.970 58.100 -0.186 0.000 1.146 320 Y CB -0.126 38.215 38.460 -0.197 0.000 0.968 320 Y HN 0.068 nan 8.280 nan 0.000 0.504 321 I N -0.499 119.966 120.570 -0.174 0.000 2.617 321 I HA -0.206 3.966 4.170 0.005 0.000 0.256 321 I C 2.401 178.232 176.117 -0.477 0.000 1.167 321 I CA 1.204 62.222 61.300 -0.471 0.000 1.469 321 I CB -0.839 36.645 38.000 -0.860 0.000 1.098 321 I HN 0.123 nan 8.210 nan 0.000 0.436 322 S N -0.261 115.365 115.700 -0.124 0.000 2.335 322 S HA -0.207 4.266 4.470 0.005 0.000 0.217 322 S C 2.023 176.629 174.600 0.010 0.000 1.032 322 S CA 1.159 59.397 58.200 0.063 0.000 0.985 322 S CB -0.714 62.691 63.200 0.342 0.000 0.896 322 S HN 0.507 nan 8.310 nan 0.000 0.445 323 Y N 3.069 123.299 120.300 -0.116 0.000 2.062 323 Y HA -0.347 4.206 4.550 0.005 0.000 0.276 323 Y C 2.144 177.927 175.900 -0.195 0.000 1.189 323 Y CA 2.090 60.107 58.100 -0.138 0.000 1.130 323 Y CB -0.964 37.393 38.460 -0.173 0.000 0.959 323 Y HN 0.299 nan 8.280 nan 0.000 0.499 324 N N -0.071 118.533 118.700 -0.161 0.000 2.112 324 N HA -0.328 4.415 4.740 0.005 0.000 0.200 324 N C 1.712 177.060 175.510 -0.270 0.000 1.011 324 N CA 2.481 55.337 53.050 -0.322 0.000 0.891 324 N CB -0.346 37.949 38.487 -0.319 0.000 1.060 324 N HN 0.492 nan 8.380 nan 0.000 0.478 325 I N 1.162 121.616 120.570 -0.193 0.000 2.090 325 I HA -0.290 3.883 4.170 0.005 0.000 0.236 325 I C 2.256 178.345 176.117 -0.047 0.000 1.064 325 I CA 0.752 62.001 61.300 -0.084 0.000 1.324 325 I CB -0.401 37.507 38.000 -0.153 0.000 1.044 325 I HN 0.200 nan 8.210 nan 0.000 0.399 326 I N 0.789 121.308 120.570 -0.086 0.000 2.141 326 I HA -0.420 3.752 4.170 0.005 0.000 0.243 326 I C 2.235 178.305 176.117 -0.078 0.000 1.035 326 I CA 1.934 63.211 61.300 -0.039 0.000 1.302 326 I CB -1.508 36.463 38.000 -0.049 0.000 1.006 326 I HN 0.337 nan 8.210 nan 0.000 0.413 327 D N 0.647 120.885 120.400 -0.270 0.000 2.156 327 D HA -0.164 4.479 4.640 0.005 0.000 0.190 327 D C 2.353 178.552 176.300 -0.169 0.000 0.998 327 D CA 1.605 55.408 54.000 -0.328 0.000 0.842 327 D CB -0.600 39.916 40.800 -0.474 0.000 0.974 327 D HN 0.177 nan 8.370 nan 0.000 0.447 328 V N 0.338 120.213 119.914 -0.065 0.000 2.278 328 V HA -0.315 3.807 4.120 0.005 0.000 0.251 328 V C 2.226 178.361 176.094 0.068 0.000 1.062 328 V CA 1.919 64.239 62.300 0.032 0.000 1.038 328 V CB -0.782 31.145 31.823 0.173 0.000 0.646 328 V HN 0.226 nan 8.190 nan 0.000 0.447 329 Y N 1.145 121.477 120.300 0.054 0.000 2.145 329 Y HA -0.255 4.298 4.550 0.005 0.000 0.286 329 Y C 2.668 178.503 175.900 -0.110 0.000 1.145 329 Y CA 2.017 60.137 58.100 0.034 0.000 1.148 329 Y CB -0.379 38.097 38.460 0.026 0.000 0.981 329 Y HN 0.059 nan 8.280 nan 0.000 0.507 330 R N -0.102 120.282 120.500 -0.194 0.000 2.112 330 R HA -0.195 4.148 4.340 0.005 0.000 0.242 330 R C 2.437 178.483 176.300 -0.424 0.000 1.137 330 R CA 1.820 57.718 56.100 -0.337 0.000 0.944 330 R CB -1.312 28.815 30.300 -0.288 0.000 0.857 330 R HN 0.336 nan 8.270 nan 0.000 0.435 331 V N 0.754 120.437 119.914 -0.385 0.000 2.231 331 V HA -0.322 3.801 4.120 0.005 0.000 0.248 331 V C 2.336 178.119 176.094 -0.518 0.000 1.054 331 V CA 2.085 64.105 62.300 -0.467 0.000 1.015 331 V CB -0.550 31.047 31.823 -0.376 0.000 0.638 331 V HN 0.318 nan 8.190 nan 0.000 0.444 332 L N -0.622 120.328 121.223 -0.454 0.000 2.030 332 L HA -0.384 3.959 4.340 0.005 0.000 0.222 332 L C 2.624 179.222 176.870 -0.454 0.000 1.082 332 L CA 2.575 57.143 54.840 -0.454 0.000 0.785 332 L CB -1.281 40.510 42.059 -0.447 0.000 0.895 332 L HN 0.503 nan 8.230 nan 0.000 0.439 333 Q N -0.541 118.898 119.800 -0.601 0.000 2.096 333 Q HA -0.197 4.146 4.340 0.005 0.000 0.204 333 Q C 2.253 178.042 176.000 -0.352 0.000 0.982 333 Q CA 1.495 56.993 55.803 -0.508 0.000 0.850 333 Q CB -0.077 28.305 28.738 -0.594 0.000 0.901 333 Q HN 0.586 nan 8.270 nan 0.000 0.422 334 I N 0.360 120.707 120.570 -0.372 0.000 2.163 334 I HA -0.237 3.936 4.170 0.005 0.000 0.240 334 I C 2.091 178.050 176.117 -0.263 0.000 1.081 334 I CA 1.344 62.463 61.300 -0.301 0.000 1.353 334 I CB -0.509 37.323 38.000 -0.281 0.000 1.054 334 I HN 0.217 nan 8.210 nan 0.000 0.407 335 D N 1.542 121.771 120.400 -0.286 0.000 2.106 335 D HA -0.237 4.406 4.640 0.005 0.000 0.191 335 D C 2.164 178.397 176.300 -0.112 0.000 0.997 335 D CA 1.936 55.878 54.000 -0.096 0.000 0.834 335 D CB 0.013 40.787 40.800 -0.044 0.000 0.956 335 D HN 0.291 nan 8.370 nan 0.000 0.448 336 A N 0.026 122.757 122.820 -0.148 0.000 2.042 336 A HA -0.260 4.063 4.320 0.005 0.000 0.222 336 A C 2.028 179.555 177.584 -0.095 0.000 1.167 336 A CA 2.591 54.564 52.037 -0.108 0.000 0.649 336 A CB -0.688 18.240 19.000 -0.120 0.000 0.809 336 A HN 0.518 nan 8.150 nan 0.000 0.457 337 K N -2.166 118.155 120.400 -0.131 0.000 2.244 337 K HA 0.176 4.499 4.320 0.005 0.000 0.200 337 K C 1.821 178.353 176.600 -0.112 0.000 1.052 337 K CA 0.867 57.088 56.287 -0.110 0.000 0.980 337 K CB -0.022 32.402 32.500 -0.126 0.000 0.838 337 K HN 0.088 nan 8.250 nan 0.000 0.481 338 R N 0.131 120.513 120.500 -0.197 0.000 2.189 338 R HA 0.200 4.543 4.340 0.005 0.000 0.203 338 R C 0.307 176.528 176.300 -0.131 0.000 1.012 338 R CA 0.672 56.600 56.100 -0.287 0.000 1.015 338 R CB 0.123 29.971 30.300 -0.753 0.000 0.938 338 R HN 0.315 nan 8.270 nan 0.000 0.472 339 Q N -1.376 118.371 119.800 -0.088 0.000 2.362 339 Q HA -0.233 4.110 4.340 0.005 0.000 0.220 339 Q C 0.745 176.880 176.000 0.225 0.000 0.713 339 Q CA 0.889 56.726 55.803 0.057 0.000 1.345 339 Q CB -1.788 26.985 28.738 0.058 0.000 1.570 339 Q HN 0.236 nan 8.270 nan 0.000 0.701 340 F N -0.032 119.962 119.950 0.073 0.000 2.053 340 F HA -0.301 4.230 4.527 0.007 0.000 0.295 340 F C 2.517 178.294 175.800 -0.039 0.000 1.102 340 F CA 1.719 59.716 58.000 -0.006 0.000 1.225 340 F CB -1.323 37.531 39.000 -0.243 0.000 0.961 340 F HN 0.236 nan 8.300 nan 0.000 0.495 341 I N -0.215 120.475 120.570 0.200 0.000 2.118 341 I HA -0.376 3.796 4.170 0.005 0.000 0.241 341 I C 2.249 178.376 176.117 0.015 0.000 1.070 341 I CA 1.881 63.226 61.300 0.075 0.000 1.327 341 I CB -0.624 37.442 38.000 0.111 0.000 1.034 341 I HN 0.144 nan 8.210 nan 0.000 0.405 342 N N 0.753 119.455 118.700 0.002 0.000 2.036 342 N HA -0.227 4.516 4.740 0.005 0.000 0.195 342 N C 1.855 177.347 175.510 -0.030 0.000 1.037 342 N CA 1.312 54.309 53.050 -0.088 0.000 0.855 342 N CB -0.284 38.132 38.487 -0.117 0.000 1.033 342 N HN 0.239 nan 8.380 nan 0.000 0.423 343 L N 0.221 121.479 121.223 0.058 0.000 1.976 343 L HA -0.339 4.004 4.340 0.005 0.000 0.223 343 L C 2.062 178.959 176.870 0.044 0.000 1.081 343 L CA 1.745 56.627 54.840 0.069 0.000 0.784 343 L CB -0.614 41.539 42.059 0.157 0.000 0.896 343 L HN 0.239 nan 8.230 nan 0.000 0.438 344 S N -0.211 115.536 115.700 0.077 0.000 2.381 344 S HA -0.268 4.204 4.470 0.005 0.000 0.230 344 S C 1.732 176.313 174.600 -0.031 0.000 1.052 344 S CA 1.748 59.956 58.200 0.013 0.000 1.068 344 S CB -0.586 62.574 63.200 -0.067 0.000 0.918 344 S HN 0.236 nan 8.310 nan 0.000 0.448 345 L N 1.898 123.095 121.223 -0.044 0.000 1.951 345 L HA -0.182 4.160 4.340 0.005 0.000 0.222 345 L C 2.280 179.286 176.870 0.227 0.000 1.078 345 L CA 1.996 56.842 54.840 0.011 0.000 0.778 345 L CB -1.558 40.307 42.059 -0.322 0.000 0.893 345 L HN 0.234 nan 8.230 nan 0.000 0.436 346 D N -1.084 119.438 120.400 0.202 0.000 2.204 346 D HA -0.316 4.327 4.640 0.005 0.000 0.189 346 D C 2.359 178.833 176.300 0.290 0.000 1.006 346 D CA 2.233 56.538 54.000 0.509 0.000 0.855 346 D CB -0.151 40.824 40.800 0.291 0.000 0.946 346 D HN 0.300 nan 8.370 nan 0.000 0.448 347 M N -0.533 119.119 119.600 0.087 0.000 2.065 347 M HA -0.097 4.385 4.480 0.005 0.000 0.259 347 M C 2.156 178.491 176.300 0.057 0.000 1.071 347 M CA 2.509 57.809 55.300 0.000 0.000 1.109 347 M CB -0.531 31.997 32.600 -0.121 0.000 1.313 347 M HN 0.104 nan 8.290 nan 0.000 0.408 348 G N -1.628 107.157 108.800 -0.025 0.000 2.470 348 G HA2 -0.224 3.739 3.960 0.005 0.000 0.220 348 G HA3 -0.224 3.739 3.960 0.005 0.000 0.220 348 G C 0.920 175.762 174.900 -0.097 0.000 1.121 348 G CA 0.694 45.728 45.100 -0.109 0.000 0.766 348 G HN 0.530 nan 8.290 nan 0.000 0.553 349 Y N -1.498 118.899 120.300 0.161 0.000 2.397 349 Y HA 0.112 4.665 4.550 0.006 0.000 0.292 349 Y C 2.329 178.389 175.900 0.267 0.000 1.115 349 Y CA 0.043 58.297 58.100 0.258 0.000 1.208 349 Y CB -0.347 38.334 38.460 0.369 0.000 1.046 349 Y HN 0.259 nan 8.280 nan 0.000 0.552 350 Y N 0.553 120.962 120.300 0.182 0.000 2.060 350 Y HA -0.202 4.350 4.550 0.004 0.000 0.276 350 Y C 2.385 178.309 175.900 0.040 0.000 1.127 350 Y CA 1.641 59.789 58.100 0.080 0.000 1.104 350 Y CB -0.904 37.551 38.460 -0.008 0.000 0.983 350 Y HN -0.039 nan 8.280 nan 0.000 0.483 351 A N 0.516 123.334 122.820 -0.003 0.000 2.248 351 A HA -0.044 4.279 4.320 0.005 0.000 0.210 351 A C 0.735 178.277 177.584 -0.071 0.000 1.174 351 A CA 0.813 52.741 52.037 -0.181 0.000 0.750 351 A CB -0.973 17.958 19.000 -0.114 0.000 0.780 351 A HN 0.541 nan 8.150 nan 0.000 0.478 352 K N -0.609 119.803 120.400 0.019 0.000 4.007 352 K HA -0.161 4.162 4.320 0.005 0.000 0.279 352 K C -0.480 176.113 176.600 -0.011 0.000 0.919 352 K CA 1.052 57.359 56.287 0.034 0.000 0.800 352 K CB -1.758 30.732 32.500 -0.016 0.000 1.572 352 K HN 0.716 nan 8.250 nan 0.000 0.443 353 I N -1.178 119.400 120.570 0.015 0.000 2.994 353 I HA 0.162 4.335 4.170 0.005 0.000 0.306 353 I C -0.512 175.610 176.117 0.008 0.000 1.195 353 I CA -0.979 60.315 61.300 -0.010 0.000 1.001 353 I CB 2.105 40.088 38.000 -0.028 0.000 1.244 353 I HN 0.281 nan 8.210 nan 0.000 0.437 354 Q N 4.173 123.969 119.800 -0.005 0.000 2.269 354 Q HA 0.052 4.394 4.340 0.005 0.000 0.300 354 Q C 1.180 177.121 176.000 -0.099 0.000 1.070 354 Q CA -0.059 55.733 55.803 -0.017 0.000 0.957 354 Q CB 1.038 29.758 28.738 -0.030 0.000 1.131 354 Q HN 0.509 nan 8.270 nan 0.000 0.377 355 I N 2.812 123.284 120.570 -0.163 0.000 2.091 355 I HA -0.411 3.762 4.170 0.005 0.000 0.240 355 I C 2.475 178.449 176.117 -0.240 0.000 1.046 355 I CA 1.840 63.004 61.300 -0.226 0.000 1.306 355 I CB -1.460 36.393 38.000 -0.244 0.000 1.018 355 I HN 0.767 nan 8.210 nan 0.000 0.404 356 Q N 0.786 120.462 119.800 -0.206 0.000 2.297 356 Q HA -0.139 4.204 4.340 0.005 0.000 0.208 356 Q C 1.518 177.393 176.000 -0.208 0.000 0.981 356 Q CA 1.448 57.108 55.803 -0.239 0.000 0.876 356 Q CB -1.060 27.623 28.738 -0.091 0.000 0.921 356 Q HN 0.407 nan 8.270 nan 0.000 0.446 357 S N 0.773 116.390 115.700 -0.138 0.000 3.009 357 S HA 0.124 4.597 4.470 0.005 0.000 0.243 357 S C 1.189 175.717 174.600 -0.119 0.000 1.012 357 S CA 0.021 58.172 58.200 -0.082 0.000 1.113 357 S CB 0.125 63.291 63.200 -0.057 0.000 0.827 357 S HN 0.218 nan 8.310 nan 0.000 0.495 358 V N 0.015 119.790 119.914 -0.232 0.000 3.125 358 V HA 0.128 4.250 4.120 0.005 0.000 0.249 358 V C 0.911 176.928 176.094 -0.127 0.000 1.113 358 V CA 0.807 62.966 62.300 -0.235 0.000 1.106 358 V CB -0.216 31.396 31.823 -0.352 0.000 0.768 358 V HN 0.517 nan 8.190 nan 0.000 0.468 359 F N 0.487 120.405 119.950 -0.052 0.000 2.816 359 F HA 0.268 4.797 4.527 0.003 0.000 0.302 359 F C 1.150 176.918 175.800 -0.052 0.000 1.178 359 F CA 0.411 58.376 58.000 -0.059 0.000 1.421 359 F CB -0.276 38.670 39.000 -0.090 0.000 1.114 359 F HN 0.080 nan 8.300 nan 0.000 0.573 360 S N -0.417 115.344 115.700 0.101 0.000 2.775 360 S HA 0.354 4.827 4.470 0.005 0.000 0.277 360 S C -1.945 172.667 174.600 0.020 0.000 1.156 360 S CA -1.240 56.994 58.200 0.056 0.000 1.081 360 S CB 1.252 64.475 63.200 0.039 0.000 1.054 360 S HN -0.208 nan 8.310 nan 0.000 0.482 361 P HA -0.091 nan 4.420 nan 0.000 0.217 361 P C 1.564 178.889 177.300 0.041 0.000 1.150 361 P CA 0.592 63.721 63.100 0.047 0.000 0.832 361 P CB 0.072 31.836 31.700 0.107 0.000 0.787 362 I N -0.117 120.439 120.570 -0.024 0.000 2.053 362 I HA -0.277 3.896 4.170 0.005 0.000 0.236 362 I C 2.242 178.432 176.117 0.122 0.000 1.038 362 I CA 1.776 63.059 61.300 -0.028 0.000 1.304 362 I CB -1.676 36.381 38.000 0.094 0.000 1.023 362 I HN -0.009 nan 8.210 nan 0.000 0.395 363 K N 0.704 121.160 120.400 0.094 0.000 2.034 363 K HA -0.194 4.129 4.320 0.005 0.000 0.214 363 K C 2.118 178.767 176.600 0.081 0.000 1.051 363 K CA 2.250 58.588 56.287 0.086 0.000 0.931 363 K CB -0.826 31.692 32.500 0.031 0.000 0.715 363 K HN 0.415 nan 8.250 nan 0.000 0.446 364 T N -0.269 114.296 114.554 0.019 0.000 2.545 364 T HA -0.185 4.168 4.350 0.005 0.000 0.261 364 T C 1.769 176.481 174.700 0.019 0.000 1.097 364 T CA 1.818 63.883 62.100 -0.058 0.000 1.189 364 T CB -0.698 68.041 68.868 -0.215 0.000 0.863 364 T HN 0.430 nan 8.240 nan 0.000 0.405 365 W N 1.413 122.702 121.300 -0.017 0.000 2.290 365 W HA -0.263 4.422 4.660 0.041 0.000 0.323 365 W C 2.552 179.129 176.519 0.096 0.000 1.260 365 W CA 1.173 58.516 57.345 -0.004 0.000 1.266 365 W CB -0.491 28.880 29.460 -0.150 0.000 1.149 365 W HN 0.367 nan 8.180 nan 0.000 0.482 366 D N -0.105 120.602 120.400 0.512 0.000 2.154 366 D HA -0.278 4.364 4.640 0.005 0.000 0.190 366 D C 2.060 178.558 176.300 0.329 0.000 1.003 366 D CA 2.559 56.829 54.000 0.451 0.000 0.849 366 D CB -0.755 40.313 40.800 0.448 0.000 0.942 366 D HN 0.062 nan 8.370 nan 0.000 0.446 367 A N -0.063 122.913 122.820 0.260 0.000 1.972 367 A HA -0.097 4.225 4.320 0.005 0.000 0.219 367 A C 2.607 180.301 177.584 0.183 0.000 1.169 367 A CA 1.299 53.479 52.037 0.239 0.000 0.635 367 A CB -0.684 18.395 19.000 0.130 0.000 0.810 367 A HN 0.430 nan 8.150 nan 0.000 0.446 368 I N -0.569 120.075 120.570 0.124 0.000 2.142 368 I HA -0.259 3.914 4.170 0.005 0.000 0.240 368 I C 2.336 178.504 176.117 0.085 0.000 1.078 368 I CA 1.473 62.792 61.300 0.033 0.000 1.343 368 I CB -0.438 37.592 38.000 0.050 0.000 1.046 368 I HN 0.284 nan 8.210 nan 0.000 0.405 369 I N 0.352 121.034 120.570 0.187 0.000 2.142 369 I HA -0.324 3.849 4.170 0.005 0.000 0.240 369 I C 2.590 178.793 176.117 0.144 0.000 1.078 369 I CA 1.438 62.825 61.300 0.145 0.000 1.343 369 I CB -0.481 37.566 38.000 0.079 0.000 1.046 369 I HN 0.156 nan 8.210 nan 0.000 0.405 370 F N 2.277 122.299 119.950 0.119 0.000 2.087 370 F HA -0.332 4.192 4.527 -0.006 0.000 0.299 370 F C 2.304 178.151 175.800 0.077 0.000 1.100 370 F CA 1.913 59.983 58.000 0.117 0.000 1.226 370 F CB -0.797 38.272 39.000 0.115 0.000 0.983 370 F HN 0.104 nan 8.300 nan 0.000 0.479 371 N N -0.266 118.195 118.700 -0.397 0.000 2.244 371 N HA -0.165 4.577 4.740 0.005 0.000 0.183 371 N C 2.168 177.500 175.510 -0.296 0.000 1.016 371 N CA 1.210 53.955 53.050 -0.509 0.000 0.866 371 N CB -0.291 38.049 38.487 -0.244 0.000 0.980 371 N HN 0.374 nan 8.380 nan 0.000 0.430 372 S N 0.815 116.424 115.700 -0.151 0.000 2.348 372 S HA -0.052 4.421 4.470 0.005 0.000 0.221 372 S C 1.955 176.510 174.600 -0.075 0.000 1.033 372 S CA 0.758 58.913 58.200 -0.075 0.000 1.010 372 S CB -0.122 63.077 63.200 -0.002 0.000 0.891 372 S HN 0.093 nan 8.310 nan 0.000 0.442 373 L N 2.174 123.359 121.223 -0.064 0.000 2.083 373 L HA -0.015 4.328 4.340 0.005 0.000 0.209 373 L C 2.406 179.232 176.870 -0.073 0.000 1.083 373 L CA 1.587 56.408 54.840 -0.032 0.000 0.752 373 L CB -0.714 41.366 42.059 0.034 0.000 0.899 373 L HN 0.235 nan 8.230 nan 0.000 0.433 374 K N 0.890 121.159 120.400 -0.218 0.000 1.988 374 K HA -0.217 4.106 4.320 0.005 0.000 0.221 374 K C 0.525 177.079 176.600 -0.077 0.000 1.053 374 K CA 2.000 58.154 56.287 -0.221 0.000 0.959 374 K CB -0.292 31.917 32.500 -0.485 0.000 0.728 374 K HN 0.483 nan 8.250 nan 0.000 0.447 375 E N 0.908 121.057 120.200 -0.084 0.000 1.999 375 E HA -0.008 4.345 4.350 0.005 0.000 0.296 375 E C 0.382 176.977 176.600 -0.008 0.000 1.187 375 E CA 0.101 56.486 56.400 -0.025 0.000 1.229 375 E CB 0.627 30.313 29.700 -0.023 0.000 1.131 375 E HN 0.321 nan 8.360 nan 0.000 0.478 376 Q N 1.711 121.516 119.800 0.010 0.000 1.392 376 Q HA 0.004 4.347 4.340 0.005 0.000 0.141 376 Q C -0.262 175.768 176.000 0.050 0.000 0.677 376 Q CA 0.123 55.939 55.803 0.021 0.000 0.649 376 Q CB 0.050 28.795 28.738 0.011 0.000 1.133 376 Q HN 0.433 nan 8.270 nan 0.000 0.340 377 N N 0.646 119.386 118.700 0.066 0.000 2.753 377 N HA -0.153 4.589 4.740 0.005 0.000 0.251 377 N C -0.877 174.706 175.510 0.122 0.000 1.097 377 N CA 1.506 54.629 53.050 0.122 0.000 0.786 377 N CB -0.283 38.264 38.487 0.099 0.000 1.137 377 N HN 0.277 nan 8.380 nan 0.000 0.566 378 K N 0.473 120.916 120.400 0.071 0.000 2.209 378 K HA 0.627 4.950 4.320 0.005 0.000 0.238 378 K C 0.496 177.078 176.600 -0.030 0.000 1.028 378 K CA -0.504 55.816 56.287 0.055 0.000 0.935 378 K CB 1.201 33.730 32.500 0.047 0.000 1.162 378 K HN -0.112 nan 8.250 nan 0.000 0.485 379 V N 2.000 121.881 119.914 -0.056 0.000 2.577 379 V HA 0.309 4.432 4.120 0.005 0.000 0.303 379 V C 0.208 176.292 176.094 -0.017 0.000 1.042 379 V CA -1.111 61.138 62.300 -0.086 0.000 0.872 379 V CB 1.546 33.216 31.823 -0.255 0.000 0.998 379 V HN 0.694 nan 8.190 nan 0.000 0.423 380 I N 3.471 124.080 120.570 0.066 0.000 2.754 380 I HA 0.385 4.558 4.170 0.005 0.000 0.285 380 I C -2.161 173.910 176.117 -0.077 0.000 1.166 380 I CA -1.370 59.935 61.300 0.008 0.000 1.417 380 I CB 0.296 38.382 38.000 0.142 0.000 1.382 380 I HN 0.357 nan 8.210 nan 0.000 0.588 381 P HA 0.027 nan 4.420 nan 0.000 0.310 381 P C -1.408 175.829 177.300 -0.104 0.000 1.309 381 P CA -0.107 62.898 63.100 -0.159 0.000 0.753 381 P CB 0.218 31.748 31.700 -0.283 0.000 1.491 382 Q N -1.151 118.603 119.800 -0.077 0.000 2.356 382 Q HA 0.653 4.996 4.340 0.005 0.000 0.270 382 Q C -0.123 175.841 176.000 -0.060 0.000 1.058 382 Q CA -1.121 54.653 55.803 -0.047 0.000 0.802 382 Q CB 1.417 30.147 28.738 -0.013 0.000 1.303 382 Q HN 0.413 nan 8.270 nan 0.000 0.444 383 G N 1.757 110.538 108.800 -0.032 0.000 2.667 383 G HA2 0.375 4.338 3.960 0.005 0.000 0.250 383 G HA3 0.375 4.338 3.960 0.005 0.000 0.250 383 G C -0.808 174.071 174.900 -0.036 0.000 1.212 383 G CA -0.534 44.568 45.100 0.002 0.000 0.874 383 G HN 0.811 nan 8.290 nan 0.000 0.561 384 R N -0.599 119.851 120.500 -0.084 0.000 2.937 384 R HA 0.281 4.624 4.340 0.005 0.000 0.273 384 R C -0.293 175.761 176.300 -0.409 0.000 1.176 384 R CA -0.258 55.710 56.100 -0.221 0.000 1.132 384 R CB 0.424 30.578 30.300 -0.244 0.000 1.270 384 R HN 0.896 nan 8.270 nan 0.000 0.425 385 S N 2.737 118.150 115.700 -0.477 0.000 2.572 385 S HA 0.250 4.723 4.470 0.005 0.000 0.279 385 S C -0.247 174.038 174.600 -0.525 0.000 1.341 385 S CA 0.022 57.824 58.200 -0.664 0.000 1.043 385 S CB 0.587 63.121 63.200 -1.110 0.000 0.887 385 S HN 0.699 nan 8.310 nan 0.000 0.516 386 H N 1.130 120.020 119.070 -0.300 0.000 2.771 386 H HA 0.733 5.291 4.556 0.003 0.000 0.344 386 H C -2.174 173.064 175.328 -0.151 0.000 1.260 386 H CA -1.519 54.463 56.048 -0.110 0.000 1.276 386 H CB 0.503 30.340 29.762 0.125 0.000 1.881 386 H HN 0.586 nan 8.280 nan 0.000 0.615 387 P HA 0.196 nan 4.420 nan 0.000 0.285 387 P C -0.788 176.532 177.300 0.033 0.000 1.285 387 P CA -0.706 62.403 63.100 0.015 0.000 0.854 387 P CB 1.501 33.215 31.700 0.024 0.000 1.180 388 V N 1.385 121.316 119.914 0.027 0.000 2.381 388 V HA 0.084 4.207 4.120 0.005 0.000 0.257 388 V C 0.614 176.755 176.094 0.079 0.000 1.057 388 V CA 0.442 62.767 62.300 0.042 0.000 1.013 388 V CB -0.824 31.032 31.823 0.055 0.000 1.069 388 V HN 0.520 nan 8.190 nan 0.000 0.484 389 Q N 7.724 127.590 119.800 0.109 0.000 2.325 389 Q HA 0.429 4.771 4.340 0.005 0.000 0.262 389 Q C -2.370 173.774 176.000 0.241 0.000 0.968 389 Q CA -1.967 53.919 55.803 0.138 0.000 0.877 389 Q CB 1.815 30.619 28.738 0.110 0.000 1.253 389 Q HN 0.385 nan 8.270 nan 0.000 0.448 390 P HA -0.015 nan 4.420 nan 0.000 0.251 390 P C -1.226 176.208 177.300 0.223 0.000 1.624 390 P CA 0.100 63.313 63.100 0.188 0.000 0.907 390 P CB -0.959 30.804 31.700 0.104 0.000 1.867 391 Y N 0.180 120.519 120.300 0.064 0.000 2.550 391 Y HA 0.307 4.869 4.550 0.019 0.000 0.343 391 Y C -1.662 174.286 175.900 0.081 0.000 1.245 391 Y CA -4.216 53.920 58.100 0.061 0.000 1.462 391 Y CB -1.569 36.926 38.460 0.058 0.000 1.340 391 Y HN 0.103 nan 8.280 nan 0.000 0.604 392 P HA 0.231 nan 4.420 nan 0.000 0.272 392 P C 0.047 177.220 177.300 -0.212 0.000 1.248 392 P CA 0.160 63.219 63.100 -0.069 0.000 0.799 392 P CB 0.847 32.569 31.700 0.035 0.000 0.997 393 G N -1.013 107.733 108.800 -0.089 0.000 3.039 393 G HA2 0.596 4.559 3.960 0.005 0.000 0.159 393 G HA3 0.596 4.559 3.960 0.005 0.000 0.159 393 G C -0.634 174.321 174.900 0.091 0.000 1.284 393 G CA -0.218 44.860 45.100 -0.036 0.000 0.996 393 G HN 0.717 nan 8.290 nan 0.000 0.592 394 A N -1.078 121.822 122.820 0.133 0.000 2.259 394 A HA 0.628 4.950 4.320 0.005 0.000 0.278 394 A C -0.688 177.002 177.584 0.177 0.000 1.107 394 A CA -0.436 51.711 52.037 0.183 0.000 0.828 394 A CB 0.503 19.587 19.000 0.139 0.000 1.111 394 A HN 0.795 nan 8.150 nan 0.000 0.498 395 F N 0.436 120.410 119.950 0.040 0.000 2.375 395 F HA 0.576 5.105 4.527 0.003 0.000 0.333 395 F C -0.461 175.323 175.800 -0.026 0.000 1.104 395 F CA -0.550 57.459 58.000 0.015 0.000 1.149 395 F CB 1.243 40.258 39.000 0.025 0.000 1.190 395 F HN 0.217 nan 8.300 nan 0.000 0.533 396 V N 5.921 125.089 119.914 -1.244 0.000 2.577 396 V HA 0.186 4.309 4.120 0.005 0.000 0.294 396 V C -0.502 174.801 176.094 -1.319 0.000 1.052 396 V CA -1.262 60.377 62.300 -1.102 0.000 0.891 396 V CB 1.477 33.055 31.823 -0.409 0.000 1.017 396 V HN 0.786 nan 8.190 nan 0.000 0.436 397 K N 2.867 122.422 120.400 -1.407 0.000 2.412 397 K HA 0.161 4.483 4.320 0.005 0.000 0.281 397 K C 0.209 176.708 176.600 -0.168 0.000 1.027 397 K CA -0.180 55.775 56.287 -0.553 0.000 0.989 397 K CB 0.720 33.103 32.500 -0.194 0.000 0.935 397 K HN 0.735 nan 8.250 nan 0.000 0.475 398 E N 6.551 126.740 120.200 -0.019 0.000 2.299 398 E HA 0.141 4.494 4.350 0.005 0.000 0.272 398 E C -2.353 174.272 176.600 0.042 0.000 1.043 398 E CA -1.925 54.497 56.400 0.038 0.000 0.895 398 E CB 0.735 30.468 29.700 0.053 0.000 1.011 398 E HN 0.321 nan 8.360 nan 0.000 0.432 399 P HA 0.364 nan 4.420 nan 0.000 0.285 399 P C -0.481 176.807 177.300 -0.021 0.000 1.280 399 P CA -0.624 62.437 63.100 -0.065 0.000 0.862 399 P CB 1.114 32.665 31.700 -0.249 0.000 1.153 400 I N 1.990 122.548 120.570 -0.021 0.000 2.395 400 I HA 0.234 4.407 4.170 0.005 0.000 0.289 400 I C -2.140 174.086 176.117 0.182 0.000 1.023 400 I CA -2.372 58.980 61.300 0.087 0.000 1.350 400 I CB 0.947 39.021 38.000 0.124 0.000 1.409 400 I HN 0.093 nan 8.210 nan 0.000 0.507 401 P HA 0.293 nan 4.420 nan 0.000 0.276 401 P C -0.816 176.618 177.300 0.224 0.000 1.243 401 P CA -0.014 63.231 63.100 0.242 0.000 0.768 401 P CB 0.645 32.442 31.700 0.161 0.000 0.856 402 N N 0.474 119.345 118.700 0.284 0.000 3.576 402 N HA 0.139 4.882 4.740 0.005 0.000 0.264 402 N C -1.601 173.809 175.510 -0.168 0.000 1.356 402 N CA -0.809 52.200 53.050 -0.069 0.000 0.797 402 N CB 0.774 39.038 38.487 -0.371 0.000 1.568 402 N HN 0.198 nan 8.380 nan 0.000 0.405 403 R N 0.612 120.878 120.500 -0.391 0.000 2.500 403 R HA 0.473 4.816 4.340 0.005 0.000 0.277 403 R C -1.340 174.611 176.300 -0.583 0.000 1.026 403 R CA -0.065 55.907 56.100 -0.213 0.000 1.058 403 R CB 0.723 30.941 30.300 -0.137 0.000 1.078 403 R HN 0.610 nan 8.270 nan 0.000 0.509 404 Y N 1.714 122.089 120.300 0.125 0.000 2.422 404 Y HA 0.236 4.789 4.550 0.005 0.000 0.344 404 Y C 0.658 176.565 175.900 0.012 0.000 1.097 404 Y CA -0.879 57.269 58.100 0.080 0.000 1.307 404 Y CB 1.585 40.138 38.460 0.155 0.000 1.102 404 Y HN 0.601 nan 8.280 nan 0.000 0.520 405 K N 0.930 121.315 120.400 -0.025 0.000 1.974 405 K HA -0.188 4.135 4.320 0.005 0.000 0.232 405 K C -0.327 176.093 176.600 -0.301 0.000 1.027 405 K CA 1.790 57.901 56.287 -0.294 0.000 1.049 405 K CB -0.331 31.826 32.500 -0.572 0.000 0.732 405 K HN 0.401 nan 8.250 nan 0.000 0.452 406 Y N -0.134 120.163 120.300 -0.005 0.000 2.308 406 Y HA 0.355 4.908 4.550 0.004 0.000 0.329 406 Y C 0.151 176.068 175.900 0.029 0.000 1.111 406 Y CA -0.710 57.370 58.100 -0.032 0.000 1.179 406 Y CB 1.390 39.711 38.460 -0.232 0.000 1.201 406 Y HN -0.135 nan 8.280 nan 0.000 0.483 407 V N 4.040 124.086 119.914 0.219 0.000 3.204 407 V HA 0.574 4.697 4.120 0.005 0.000 0.298 407 V C -0.721 175.462 176.094 0.147 0.000 1.328 407 V CA -1.293 61.111 62.300 0.173 0.000 1.035 407 V CB 2.370 34.332 31.823 0.232 0.000 1.095 407 V HN 0.749 nan 8.190 nan 0.000 0.442 408 M N 1.178 120.840 119.600 0.104 0.000 2.365 408 M HA 0.788 5.271 4.480 0.005 0.000 0.287 408 M C -0.639 175.646 176.300 -0.024 0.000 1.154 408 M CA -0.376 54.941 55.300 0.027 0.000 0.941 408 M CB 2.244 34.850 32.600 0.010 0.000 1.704 408 M HN 0.667 nan 8.290 nan 0.000 0.479 409 S N 1.764 117.323 115.700 -0.235 0.000 2.687 409 S HA 0.920 5.393 4.470 0.005 0.000 0.283 409 S C -1.017 173.372 174.600 -0.352 0.000 1.170 409 S CA -0.385 57.611 58.200 -0.340 0.000 1.008 409 S CB 1.034 63.967 63.200 -0.445 0.000 1.026 409 S HN 0.615 nan 8.310 nan 0.000 0.541 410 F N -0.349 119.491 119.950 -0.184 0.000 2.628 410 F HA 0.464 4.994 4.527 0.004 0.000 0.309 410 F C -1.087 174.699 175.800 -0.024 0.000 1.108 410 F CA -0.744 57.218 58.000 -0.064 0.000 0.971 410 F CB 2.313 41.292 39.000 -0.034 0.000 1.279 410 F HN 0.497 nan 8.300 nan 0.000 0.441 411 D N 2.618 123.133 120.400 0.191 0.000 2.629 411 D HA 0.389 5.032 4.640 0.005 0.000 0.250 411 D C -0.980 175.414 176.300 0.156 0.000 1.126 411 D CA -0.325 53.756 54.000 0.136 0.000 0.852 411 D CB 2.156 42.997 40.800 0.069 0.000 1.335 411 D HN 0.180 nan 8.370 nan 0.000 0.518 412 L N 2.898 124.201 121.223 0.133 0.000 2.385 412 L HA 0.184 4.527 4.340 0.005 0.000 0.281 412 L C 0.960 177.869 176.870 0.066 0.000 1.106 412 L CA -0.015 54.888 54.840 0.105 0.000 0.856 412 L CB -0.417 41.664 42.059 0.038 0.000 1.186 412 L HN 0.480 nan 8.230 nan 0.000 0.453 413 T N 0.198 114.818 114.554 0.109 0.000 2.908 413 T HA 0.174 4.527 4.350 0.005 0.000 0.301 413 T C 1.328 176.074 174.700 0.078 0.000 1.019 413 T CA 0.147 62.311 62.100 0.106 0.000 1.152 413 T CB 0.648 69.626 68.868 0.184 0.000 0.966 413 T HN 0.860 nan 8.240 nan 0.000 0.540 414 S N 3.058 118.792 115.700 0.056 0.000 1.825 414 S HA -0.440 4.033 4.470 0.005 0.000 0.220 414 S C 1.090 175.676 174.600 -0.024 0.000 0.934 414 S CA 2.031 60.261 58.200 0.051 0.000 1.630 414 S CB -1.970 61.328 63.200 0.163 0.000 2.171 414 S HN 2.297 nan 8.310 nan 0.000 0.545 415 L N -1.557 119.647 121.223 -0.032 0.000 3.838 415 L HA -0.277 4.066 4.340 0.005 0.000 0.053 415 L C 1.486 178.375 176.870 0.032 0.000 4.244 415 L CA 2.973 57.773 54.840 -0.066 0.000 0.724 415 L CB -2.069 39.906 42.059 -0.141 0.000 3.466 415 L HN 0.586 nan 8.230 nan 0.000 0.932 416 Y N 1.833 122.060 120.300 -0.122 0.000 2.040 416 Y HA -0.181 4.376 4.550 0.013 0.000 0.275 416 Y C -0.259 175.581 175.900 -0.099 0.000 1.171 416 Y CA 2.197 60.228 58.100 -0.116 0.000 1.123 416 Y CB -2.636 35.744 38.460 -0.132 0.000 0.963 416 Y HN 0.483 nan 8.280 nan 0.000 0.493 417 P HA -0.137 nan 4.420 nan 0.000 0.215 417 P C 1.605 178.854 177.300 -0.085 0.000 1.153 417 P CA 2.421 65.542 63.100 0.036 0.000 0.853 417 P CB -0.097 31.672 31.700 0.115 0.000 0.788 418 S N 0.638 116.268 115.700 -0.116 0.000 2.356 418 S HA -0.121 4.352 4.470 0.005 0.000 0.223 418 S C 2.224 176.629 174.600 -0.325 0.000 1.032 418 S CA 1.024 59.077 58.200 -0.246 0.000 1.005 418 S CB -1.305 61.742 63.200 -0.255 0.000 0.867 418 S HN 0.091 nan 8.310 nan 0.000 0.449 419 I N 1.360 121.733 120.570 -0.329 0.000 2.091 419 I HA -0.221 3.951 4.170 0.005 0.000 0.239 419 I C 2.240 178.115 176.117 -0.403 0.000 1.061 419 I CA 1.368 62.368 61.300 -0.499 0.000 1.317 419 I CB -0.702 37.033 38.000 -0.441 0.000 1.031 419 I HN 0.197 nan 8.210 nan 0.000 0.401 420 I N 0.836 121.244 120.570 -0.271 0.000 2.147 420 I HA -0.360 3.813 4.170 0.005 0.000 0.245 420 I C 2.651 178.616 176.117 -0.255 0.000 1.059 420 I CA 1.905 63.059 61.300 -0.243 0.000 1.320 420 I CB -0.640 37.258 38.000 -0.169 0.000 1.021 420 I HN 0.180 nan 8.210 nan 0.000 0.415 421 R N -0.794 119.564 120.500 -0.236 0.000 2.127 421 R HA -0.108 4.234 4.340 0.005 0.000 0.217 421 R C 2.190 178.355 176.300 -0.226 0.000 1.074 421 R CA 0.854 56.828 56.100 -0.210 0.000 0.991 421 R CB -0.336 29.840 30.300 -0.206 0.000 0.895 421 R HN 0.432 nan 8.270 nan 0.000 0.450 422 Q N 0.915 120.534 119.800 -0.300 0.000 2.124 422 Q HA -0.103 4.240 4.340 0.005 0.000 0.202 422 Q C 1.273 177.141 176.000 -0.220 0.000 0.977 422 Q CA 1.497 57.122 55.803 -0.297 0.000 0.850 422 Q CB 0.378 28.843 28.738 -0.457 0.000 0.901 422 Q HN 0.228 nan 8.270 nan 0.000 0.429 423 V N -0.306 119.446 119.914 -0.269 0.000 3.542 423 V HA 0.166 4.289 4.120 0.005 0.000 0.296 423 V C 0.329 176.256 176.094 -0.278 0.000 1.364 423 V CA 0.335 62.510 62.300 -0.209 0.000 1.118 423 V CB -0.732 30.960 31.823 -0.218 0.000 0.972 423 V HN 0.488 nan 8.190 nan 0.000 0.430 424 N N 0.877 119.441 118.700 -0.227 0.000 2.708 424 N HA -0.225 4.518 4.740 0.005 0.000 0.249 424 N C -0.173 175.153 175.510 -0.308 0.000 1.097 424 N CA 0.487 53.431 53.050 -0.176 0.000 0.710 424 N CB -1.389 37.077 38.487 -0.036 0.000 1.032 424 N HN 0.683 nan 8.380 nan 0.000 0.551 425 I N -0.164 120.117 120.570 -0.481 0.000 2.618 425 I HA 0.159 4.332 4.170 0.005 0.000 0.284 425 I C 0.955 176.935 176.117 -0.229 0.000 1.146 425 I CA 0.376 61.325 61.300 -0.586 0.000 1.425 425 I CB 0.865 38.562 38.000 -0.505 0.000 1.383 425 I HN 0.298 nan 8.210 nan 0.000 0.562 426 S N 7.134 122.787 115.700 -0.078 0.000 2.627 426 S HA 0.362 4.835 4.470 0.005 0.000 0.268 426 S C -2.309 172.341 174.600 0.082 0.000 1.130 426 S CA -0.852 57.345 58.200 -0.005 0.000 0.819 426 S CB 1.716 64.911 63.200 -0.010 0.000 1.100 426 S HN 0.381 nan 8.310 nan 0.000 0.465 427 P HA -0.005 nan 4.420 nan 0.000 0.217 427 P C 0.959 178.362 177.300 0.171 0.000 1.154 427 P CA 1.158 64.309 63.100 0.085 0.000 0.841 427 P CB -0.134 31.582 31.700 0.027 0.000 0.788 428 E N 0.907 121.162 120.200 0.091 0.000 2.502 428 E HA -0.044 4.308 4.350 0.005 0.000 0.194 428 E C 1.048 177.719 176.600 0.117 0.000 1.062 428 E CA 0.983 57.501 56.400 0.197 0.000 0.867 428 E CB -1.467 28.199 29.700 -0.055 0.000 0.888 428 E HN 0.279 nan 8.360 nan 0.000 0.510 429 T N -1.360 113.307 114.554 0.189 0.000 3.107 429 T HA 0.219 4.571 4.350 0.005 0.000 0.249 429 T C 1.039 176.066 174.700 0.546 0.000 1.096 429 T CA -0.449 61.853 62.100 0.337 0.000 1.012 429 T CB -0.412 68.626 68.868 0.284 0.000 0.977 429 T HN 0.155 nan 8.240 nan 0.000 0.527 430 I N 1.967 122.729 120.570 0.320 0.000 2.494 430 I HA 0.423 4.596 4.170 0.005 0.000 0.289 430 I C 1.209 177.315 176.117 -0.018 0.000 1.106 430 I CA -0.270 61.004 61.300 -0.043 0.000 1.369 430 I CB 0.432 38.394 38.000 -0.064 0.000 1.410 430 I HN 0.236 nan 8.210 nan 0.000 0.523 431 A N 5.466 127.979 122.820 -0.511 0.000 1.920 431 A HA 0.603 4.925 4.320 0.005 0.000 0.209 431 A C 1.038 178.292 177.584 -0.550 0.000 1.229 431 A CA 0.879 52.390 52.037 -0.876 0.000 0.671 431 A CB -0.324 17.409 19.000 -2.112 0.000 0.886 431 A HN 0.731 nan 8.150 nan 0.000 0.461 432 G N -2.432 106.059 108.800 -0.516 0.000 2.896 432 G HA2 0.533 4.496 3.960 0.005 0.000 0.247 432 G HA3 0.533 4.496 3.960 0.005 0.000 0.247 432 G C -1.118 173.658 174.900 -0.207 0.000 1.187 432 G CA 0.433 45.379 45.100 -0.256 0.000 0.837 432 G HN 0.307 nan 8.290 nan 0.000 0.559 433 T N -0.281 114.222 114.554 -0.085 0.000 2.886 433 T HA 0.597 4.950 4.350 0.005 0.000 0.330 433 T C -1.615 173.109 174.700 0.039 0.000 1.488 433 T CA -0.350 61.662 62.100 -0.148 0.000 1.054 433 T CB 1.462 70.230 68.868 -0.168 0.000 1.348 433 T HN 0.845 nan 8.240 nan 0.000 0.489 434 F N -0.585 119.334 119.950 -0.052 0.000 2.640 434 F HA 0.772 5.302 4.527 0.004 0.000 0.324 434 F C -0.467 175.331 175.800 -0.005 0.000 1.077 434 F CA -1.522 56.468 58.000 -0.017 0.000 0.965 434 F CB 0.806 39.807 39.000 0.002 0.000 1.351 434 F HN 0.039 nan 8.300 nan 0.000 0.487 435 K N 1.891 122.454 120.400 0.272 0.000 2.383 435 K HA 0.316 4.639 4.320 0.005 0.000 0.286 435 K C -0.711 176.042 176.600 0.255 0.000 1.051 435 K CA -0.309 56.071 56.287 0.156 0.000 0.974 435 K CB 1.779 34.352 32.500 0.121 0.000 0.968 435 K HN 0.675 nan 8.250 nan 0.000 0.475 436 V N 2.803 122.794 119.914 0.128 0.000 2.364 436 V HA 0.424 4.547 4.120 0.005 0.000 0.272 436 V C -0.076 176.159 176.094 0.236 0.000 1.036 436 V CA -0.506 61.907 62.300 0.188 0.000 0.880 436 V CB 0.704 32.488 31.823 -0.065 0.000 0.991 436 V HN 0.838 nan 8.190 nan 0.000 0.460 437 A N 7.962 131.028 122.820 0.409 0.000 2.304 437 A HA 0.751 5.073 4.320 0.005 0.000 0.271 437 A C -2.441 175.367 177.584 0.372 0.000 1.091 437 A CA -1.614 50.583 52.037 0.266 0.000 0.812 437 A CB 0.014 19.005 19.000 -0.017 0.000 1.056 437 A HN 0.794 nan 8.150 nan 0.000 0.489 438 P HA 0.008 nan 4.420 nan 0.000 0.261 438 P C 0.917 178.399 177.300 0.302 0.000 1.183 438 P CA -0.020 63.202 63.100 0.204 0.000 0.761 438 P CB 0.386 32.184 31.700 0.163 0.000 0.785 439 L N 4.782 126.159 121.223 0.257 0.000 2.034 439 L HA -0.299 4.044 4.340 0.005 0.000 0.217 439 L C 2.397 179.416 176.870 0.248 0.000 1.077 439 L CA 2.006 56.989 54.840 0.238 0.000 0.769 439 L CB -1.069 41.032 42.059 0.070 0.000 0.890 439 L HN 0.610 nan 8.230 nan 0.000 0.435 440 H N -0.615 118.529 119.070 0.124 0.000 2.272 440 H HA -0.280 4.278 4.556 0.004 0.000 0.289 440 H C 1.714 177.111 175.328 0.115 0.000 1.100 440 H CA 2.360 58.460 56.048 0.087 0.000 1.209 440 H CB -0.268 29.525 29.762 0.052 0.000 1.348 440 H HN 0.466 nan 8.280 nan 0.000 0.481 441 D N 0.194 120.333 120.400 -0.435 0.000 2.106 441 D HA -0.182 4.461 4.640 0.005 0.000 0.191 441 D C 2.251 178.472 176.300 -0.132 0.000 0.997 441 D CA 1.452 55.200 54.000 -0.420 0.000 0.834 441 D CB -0.982 39.651 40.800 -0.279 0.000 0.956 441 D HN 0.487 nan 8.370 nan 0.000 0.448 442 Y N 1.261 121.549 120.300 -0.019 0.000 2.139 442 Y HA -0.220 4.335 4.550 0.009 0.000 0.282 442 Y C 2.496 178.530 175.900 0.225 0.000 1.179 442 Y CA 1.373 59.512 58.100 0.065 0.000 1.161 442 Y CB -0.697 37.719 38.460 -0.073 0.000 0.970 442 Y HN 0.105 nan 8.280 nan 0.000 0.511 443 I N -1.863 118.914 120.570 0.345 0.000 2.614 443 I HA -0.159 4.014 4.170 0.005 0.000 0.258 443 I C 1.155 177.519 176.117 0.412 0.000 1.189 443 I CA 1.626 63.205 61.300 0.465 0.000 1.462 443 I CB -0.281 37.885 38.000 0.276 0.000 1.092 443 I HN 0.039 nan 8.210 nan 0.000 0.442 444 N N 1.568 120.381 118.700 0.188 0.000 2.280 444 N HA 0.258 5.001 4.740 0.005 0.000 0.192 444 N C 1.230 176.800 175.510 0.100 0.000 1.109 444 N CA 0.856 53.937 53.050 0.051 0.000 0.855 444 N CB 0.835 39.281 38.487 -0.068 0.000 0.974 444 N HN 0.518 nan 8.380 nan 0.000 0.482 445 A N -0.541 122.467 122.820 0.313 0.000 3.132 445 A HA -0.219 4.104 4.320 0.005 0.000 0.266 445 A C 1.389 178.975 177.584 0.003 0.000 1.216 445 A CA 1.226 53.374 52.037 0.185 0.000 0.985 445 A CB -2.252 16.750 19.000 0.003 0.000 1.102 445 A HN 0.119 nan 8.150 nan 0.000 0.833 446 V N -0.737 119.165 119.914 -0.021 0.000 3.444 446 V HA 0.268 4.391 4.120 0.005 0.000 0.271 446 V C 1.570 177.595 176.094 -0.114 0.000 1.188 446 V CA 1.203 63.455 62.300 -0.080 0.000 1.168 446 V CB -1.141 30.617 31.823 -0.107 0.000 0.810 446 V HN 1.265 nan 8.190 nan 0.000 0.500 447 A N 0.051 122.791 122.820 -0.134 0.000 2.264 447 A HA 0.483 4.806 4.320 0.005 0.000 0.304 447 A C 0.234 177.758 177.584 -0.101 0.000 1.100 447 A CA -0.408 51.443 52.037 -0.310 0.000 0.839 447 A CB 0.557 18.969 19.000 -0.981 0.000 1.121 447 A HN 0.353 nan 8.150 nan 0.000 0.496 448 E N 0.531 120.658 120.200 -0.120 0.000 2.313 448 E HA 0.176 4.529 4.350 0.005 0.000 0.272 448 E C -0.154 176.492 176.600 0.076 0.000 1.038 448 E CA -0.663 55.729 56.400 -0.013 0.000 0.863 448 E CB 0.614 30.291 29.700 -0.038 0.000 1.060 448 E HN 0.576 nan 8.360 nan 0.000 0.402 449 R N 4.783 125.375 120.500 0.152 0.000 2.446 449 R HA 0.113 4.455 4.340 0.005 0.000 0.325 449 R C -2.192 174.079 176.300 -0.049 0.000 0.997 449 R CA -0.988 55.217 56.100 0.174 0.000 1.010 449 R CB 0.127 30.520 30.300 0.155 0.000 0.946 449 R HN 0.322 nan 8.270 nan 0.000 0.422 450 P HA -0.013 nan 4.420 nan 0.000 0.275 450 P C -0.795 176.331 177.300 -0.290 0.000 1.266 450 P CA -0.387 62.454 63.100 -0.432 0.000 0.793 450 P CB 0.588 31.591 31.700 -1.160 0.000 1.074 451 S N 0.416 115.967 115.700 -0.248 0.000 3.913 451 S HA -0.189 4.284 4.470 0.005 0.000 0.461 451 S C 0.197 174.725 174.600 -0.122 0.000 1.095 451 S CA 0.905 59.017 58.200 -0.148 0.000 0.859 451 S CB -0.527 62.642 63.200 -0.051 0.000 1.011 451 S HN 0.392 nan 8.310 nan 0.000 0.416 452 D N 2.427 122.744 120.400 -0.139 0.000 2.431 452 D HA 0.183 4.826 4.640 0.005 0.000 0.213 452 D C 1.202 177.420 176.300 -0.136 0.000 1.130 452 D CA 0.689 54.626 54.000 -0.105 0.000 0.834 452 D CB 0.462 41.210 40.800 -0.087 0.000 0.985 452 D HN 0.526 nan 8.370 nan 0.000 0.504 453 V N -3.372 116.391 119.914 -0.251 0.000 3.548 453 V HA 0.352 4.475 4.120 0.005 0.000 0.279 453 V C -0.335 175.600 176.094 -0.266 0.000 1.446 453 V CA 0.069 62.166 62.300 -0.338 0.000 1.023 453 V CB -0.159 31.308 31.823 -0.593 0.000 0.820 453 V HN -0.200 nan 8.190 nan 0.000 0.438 454 Y N 0.547 120.824 120.300 -0.038 0.000 2.509 454 Y HA 0.753 5.314 4.550 0.018 0.000 0.341 454 Y C 0.594 176.504 175.900 0.016 0.000 1.038 454 Y CA -1.744 56.341 58.100 -0.026 0.000 1.089 454 Y CB 1.806 40.226 38.460 -0.067 0.000 1.241 454 Y HN -0.011 nan 8.280 nan 0.000 0.468 455 S N 1.132 117.000 115.700 0.279 0.000 2.548 455 S HA 0.532 5.005 4.470 0.005 0.000 0.277 455 S C -0.790 173.970 174.600 0.268 0.000 1.315 455 S CA -0.195 58.134 58.200 0.215 0.000 1.050 455 S CB -0.183 63.137 63.200 0.201 0.000 0.918 455 S HN 0.664 nan 8.310 nan 0.000 0.497 456 C N 2.621 122.045 119.300 0.206 0.000 2.712 456 C HA 0.774 5.237 4.460 0.005 0.000 0.308 456 C C 0.151 175.262 174.990 0.201 0.000 1.201 456 C CA -0.916 58.244 59.018 0.237 0.000 1.554 456 C CB 1.572 29.356 27.740 0.074 0.000 2.117 456 C HN 0.754 nan 8.230 nan 0.000 0.480 457 S N 1.230 117.085 115.700 0.259 0.000 2.502 457 S HA 0.476 4.948 4.470 0.005 0.000 0.304 457 S C -2.096 172.476 174.600 -0.046 0.000 1.097 457 S CA -1.125 57.136 58.200 0.101 0.000 1.045 457 S CB 1.342 64.675 63.200 0.222 0.000 1.019 457 S HN 0.542 nan 8.310 nan 0.000 0.481 458 P HA -0.133 nan 4.420 nan 0.000 0.224 458 P C 0.176 177.228 177.300 -0.414 0.000 1.138 458 P CA 1.222 64.010 63.100 -0.520 0.000 0.780 458 P CB -0.543 30.836 31.700 -0.535 0.000 0.755 459 N N -2.539 115.992 118.700 -0.281 0.000 2.273 459 N HA 0.230 4.973 4.740 0.005 0.000 0.231 459 N C 0.475 175.735 175.510 -0.417 0.000 1.134 459 N CA -0.020 52.874 53.050 -0.260 0.000 0.856 459 N CB -0.098 38.304 38.487 -0.141 0.000 1.068 459 N HN -0.057 nan 8.380 nan 0.000 0.510 460 G N 1.205 109.548 108.800 -0.762 0.000 2.341 460 G HA2 -0.204 3.759 3.960 0.005 0.000 0.278 460 G HA3 -0.204 3.759 3.960 0.005 0.000 0.278 460 G C 0.572 174.762 174.900 -1.183 0.000 1.111 460 G CA 0.102 44.178 45.100 -1.707 0.000 0.982 460 G HN 0.276 nan 8.290 nan 0.000 0.502 461 M N -1.084 118.150 119.600 -0.609 0.000 2.730 461 M HA 0.356 4.839 4.480 0.005 0.000 0.258 461 M C 1.365 177.479 176.300 -0.310 0.000 1.279 461 M CA 0.738 55.854 55.300 -0.307 0.000 1.183 461 M CB -0.399 32.105 32.600 -0.161 0.000 1.291 461 M HN 0.534 nan 8.290 nan 0.000 0.518 462 M N 0.629 120.254 119.600 0.042 0.000 4.044 462 M HA -0.268 4.215 4.480 0.005 0.000 0.157 462 M C -1.795 174.116 176.300 -0.647 0.000 1.532 462 M CA 0.766 55.976 55.300 -0.149 0.000 1.096 462 M CB -0.791 31.746 32.600 -0.105 0.000 1.346 462 M HN 0.169 nan 8.290 nan 0.000 0.193 463 Y N 2.516 122.675 120.300 -0.234 0.000 2.477 463 Y HA 0.541 5.076 4.550 -0.025 0.000 0.347 463 Y C -0.446 175.331 175.900 -0.206 0.000 0.981 463 Y CA -0.900 57.068 58.100 -0.220 0.000 1.033 463 Y CB 1.136 39.580 38.460 -0.027 0.000 1.245 463 Y HN 0.354 nan 8.280 nan 0.000 0.455 464 Y N 2.751 123.045 120.300 -0.010 0.000 2.770 464 Y HA 0.000 4.549 4.550 -0.003 0.000 0.342 464 Y C 1.247 177.239 175.900 0.154 0.000 1.221 464 Y CA -0.102 58.054 58.100 0.094 0.000 1.560 464 Y CB 0.270 38.769 38.460 0.065 0.000 1.213 464 Y HN 0.495 nan 8.280 nan 0.000 0.525 465 K N 2.633 123.216 120.400 0.306 0.000 2.555 465 K HA -0.093 4.230 4.320 0.005 0.000 0.193 465 K C 0.378 177.073 176.600 0.159 0.000 1.032 465 K CA 0.826 57.233 56.287 0.200 0.000 1.004 465 K CB 0.084 32.682 32.500 0.162 0.000 0.804 465 K HN 0.779 nan 8.250 nan 0.000 0.496 466 D N 0.868 121.383 120.400 0.192 0.000 2.634 466 D HA -0.048 4.595 4.640 0.005 0.000 0.262 466 D C 0.422 176.778 176.300 0.093 0.000 1.354 466 D CA -0.269 53.810 54.000 0.132 0.000 1.028 466 D CB -0.499 40.389 40.800 0.148 0.000 1.061 466 D HN -0.109 nan 8.370 nan 0.000 0.387 467 R N 1.358 121.906 120.500 0.081 0.000 2.538 467 R HA 0.021 4.364 4.340 0.005 0.000 0.273 467 R C -0.379 175.936 176.300 0.024 0.000 0.967 467 R CA 0.323 56.432 56.100 0.015 0.000 1.101 467 R CB -0.002 30.259 30.300 -0.065 0.000 0.908 467 R HN 0.243 nan 8.270 nan 0.000 0.411 468 D N 1.952 122.356 120.400 0.005 0.000 2.339 468 D HA 0.153 4.795 4.640 0.005 0.000 0.241 468 D C 0.254 176.549 176.300 -0.008 0.000 1.183 468 D CA 0.120 54.123 54.000 0.005 0.000 0.859 468 D CB 0.895 41.698 40.800 0.004 0.000 1.067 468 D HN 0.563 nan 8.370 nan 0.000 0.484 469 G N 2.194 110.990 108.800 -0.006 0.000 2.414 469 G HA2 0.119 4.082 3.960 0.005 0.000 0.236 469 G HA3 0.119 4.082 3.960 0.005 0.000 0.236 469 G C 1.448 176.334 174.900 -0.023 0.000 1.293 469 G CA -0.577 44.514 45.100 -0.015 0.000 0.869 469 G HN 0.390 nan 8.290 nan 0.000 0.556 470 V N 3.142 123.042 119.914 -0.024 0.000 2.215 470 V HA -0.241 3.882 4.120 0.005 0.000 0.246 470 V C 2.977 179.056 176.094 -0.024 0.000 1.047 470 V CA 2.037 64.329 62.300 -0.013 0.000 0.999 470 V CB -1.143 30.682 31.823 0.004 0.000 0.635 470 V HN 0.552 nan 8.190 nan 0.000 0.450 471 V N 1.531 121.418 119.914 -0.044 0.000 2.222 471 V HA -0.253 3.870 4.120 0.005 0.000 0.252 471 V C 0.430 176.469 176.094 -0.092 0.000 1.060 471 V CA 3.069 65.312 62.300 -0.096 0.000 1.027 471 V CB -2.332 29.425 31.823 -0.109 0.000 0.644 471 V HN 0.549 nan 8.190 nan 0.000 0.448 472 P HA -0.236 nan 4.420 nan 0.000 0.215 472 P C 1.855 179.129 177.300 -0.043 0.000 1.163 472 P CA 3.050 66.101 63.100 -0.082 0.000 0.894 472 P CB -0.493 31.151 31.700 -0.093 0.000 0.791 473 T N -2.464 112.078 114.554 -0.021 0.000 2.708 473 T HA -0.165 4.188 4.350 0.005 0.000 0.266 473 T C 1.902 176.625 174.700 0.039 0.000 1.037 473 T CA 1.405 63.509 62.100 0.008 0.000 1.146 473 T CB -1.049 67.827 68.868 0.012 0.000 0.865 473 T HN -0.007 nan 8.240 nan 0.000 0.435 474 E N 1.262 121.484 120.200 0.037 0.000 2.097 474 E HA -0.073 4.280 4.350 0.005 0.000 0.196 474 E C 1.959 178.648 176.600 0.148 0.000 1.000 474 E CA 1.074 57.526 56.400 0.086 0.000 0.804 474 E CB -0.746 28.991 29.700 0.062 0.000 0.740 474 E HN 0.642 nan 8.360 nan 0.000 0.454 475 I N -0.035 120.587 120.570 0.087 0.000 2.202 475 I HA -0.272 3.900 4.170 0.005 0.000 0.242 475 I C 1.839 178.073 176.117 0.195 0.000 1.091 475 I CA 1.594 62.987 61.300 0.156 0.000 1.368 475 I CB -0.363 37.666 38.000 0.048 0.000 1.058 475 I HN 0.194 nan 8.210 nan 0.000 0.410 476 T N 0.737 115.354 114.554 0.105 0.000 2.665 476 T HA -0.259 4.094 4.350 0.005 0.000 0.268 476 T C 1.825 176.633 174.700 0.179 0.000 1.035 476 T CA 1.426 63.589 62.100 0.105 0.000 1.151 476 T CB -0.289 68.600 68.868 0.035 0.000 0.862 476 T HN 0.310 nan 8.240 nan 0.000 0.438 477 K N 0.448 120.941 120.400 0.155 0.000 2.034 477 K HA -0.137 4.185 4.320 0.005 0.000 0.214 477 K C 2.357 179.079 176.600 0.205 0.000 1.051 477 K CA 1.483 57.868 56.287 0.163 0.000 0.931 477 K CB -0.702 31.889 32.500 0.153 0.000 0.715 477 K HN 0.172 nan 8.250 nan 0.000 0.446 478 V N 0.765 120.831 119.914 0.253 0.000 2.261 478 V HA -0.246 3.877 4.120 0.005 0.000 0.246 478 V C 1.982 178.205 176.094 0.214 0.000 1.047 478 V CA 1.791 64.236 62.300 0.242 0.000 1.015 478 V CB -0.519 31.488 31.823 0.306 0.000 0.642 478 V HN 0.224 nan 8.190 nan 0.000 0.446 479 F N 1.353 121.359 119.950 0.093 0.000 2.236 479 F HA -0.198 4.331 4.527 0.004 0.000 0.302 479 F C 2.310 178.138 175.800 0.047 0.000 1.073 479 F CA 1.644 59.683 58.000 0.065 0.000 1.336 479 F CB -0.200 38.840 39.000 0.066 0.000 1.040 479 F HN 0.257 nan 8.300 nan 0.000 0.507 480 N N -0.228 118.634 118.700 0.271 0.000 2.207 480 N HA -0.141 4.602 4.740 0.005 0.000 0.182 480 N C 1.799 177.349 175.510 0.066 0.000 1.020 480 N CA 0.993 54.141 53.050 0.164 0.000 0.858 480 N CB -0.590 37.979 38.487 0.137 0.000 0.991 480 N HN 0.385 nan 8.380 nan 0.000 0.427 481 Q N 0.843 120.687 119.800 0.074 0.000 2.152 481 Q HA -0.090 4.253 4.340 0.005 0.000 0.206 481 Q C 2.198 178.206 176.000 0.014 0.000 0.985 481 Q CA 1.409 57.249 55.803 0.063 0.000 0.863 481 Q CB 0.025 28.814 28.738 0.086 0.000 0.904 481 Q HN 0.286 nan 8.270 nan 0.000 0.422 482 R N 0.483 120.946 120.500 -0.062 0.000 2.057 482 R HA -0.130 4.212 4.340 0.005 0.000 0.229 482 R C 2.160 178.390 176.300 -0.118 0.000 1.136 482 R CA 1.550 57.571 56.100 -0.131 0.000 0.952 482 R CB -0.090 30.055 30.300 -0.258 0.000 0.848 482 R HN 0.020 nan 8.270 nan 0.000 0.430 483 K N 0.590 120.921 120.400 -0.114 0.000 2.113 483 K HA -0.249 4.074 4.320 0.005 0.000 0.208 483 K C 2.009 178.568 176.600 -0.069 0.000 1.047 483 K CA 2.058 58.307 56.287 -0.063 0.000 0.928 483 K CB -0.095 32.421 32.500 0.026 0.000 0.716 483 K HN 0.291 nan 8.250 nan 0.000 0.446 484 E N -0.262 119.869 120.200 -0.115 0.000 2.016 484 E HA -0.211 4.142 4.350 0.005 0.000 0.190 484 E C 1.934 178.225 176.600 -0.514 0.000 0.985 484 E CA 0.987 57.220 56.400 -0.279 0.000 0.802 484 E CB -0.129 29.366 29.700 -0.340 0.000 0.762 484 E HN 0.484 nan 8.360 nan 0.000 0.448 485 H N 0.385 119.164 119.070 -0.485 0.000 2.456 485 H HA -0.075 4.483 4.556 0.004 0.000 0.296 485 H C 2.165 177.408 175.328 -0.142 0.000 1.079 485 H CA 1.332 57.140 56.048 -0.399 0.000 1.322 485 H CB 0.168 29.778 29.762 -0.253 0.000 1.388 485 H HN 0.172 nan 8.280 nan 0.000 0.538 486 K N 0.381 120.773 120.400 -0.012 0.000 2.001 486 K HA -0.100 4.223 4.320 0.005 0.000 0.208 486 K C 2.458 179.080 176.600 0.037 0.000 1.048 486 K CA 1.169 57.459 56.287 0.004 0.000 0.932 486 K CB -0.210 32.272 32.500 -0.030 0.000 0.715 486 K HN 0.228 nan 8.250 nan 0.000 0.437 487 G N 0.306 109.127 108.800 0.034 0.000 2.446 487 G HA2 -0.271 3.692 3.960 0.005 0.000 0.217 487 G HA3 -0.271 3.692 3.960 0.005 0.000 0.217 487 G C 1.189 176.200 174.900 0.185 0.000 1.168 487 G CA 0.984 46.143 45.100 0.098 0.000 0.771 487 G HN 0.239 nan 8.290 nan 0.000 0.551 488 Y N 0.397 120.673 120.300 -0.039 0.000 2.002 488 Y HA -0.242 4.311 4.550 0.006 0.000 0.268 488 Y C 2.959 178.817 175.900 -0.070 0.000 1.177 488 Y CA 1.254 59.300 58.100 -0.090 0.000 1.111 488 Y CB -1.081 37.297 38.460 -0.137 0.000 0.952 488 Y HN 0.229 nan 8.280 nan 0.000 0.491 489 M N -0.669 119.026 119.600 0.159 0.000 2.267 489 M HA -0.213 4.270 4.480 0.005 0.000 0.263 489 M C 1.758 178.071 176.300 0.022 0.000 1.063 489 M CA 1.648 56.985 55.300 0.061 0.000 1.090 489 M CB -0.439 32.196 32.600 0.058 0.000 1.392 489 M HN 0.339 nan 8.290 nan 0.000 0.422 490 L N 0.358 121.603 121.223 0.037 0.000 2.007 490 L HA -0.107 4.236 4.340 0.005 0.000 0.205 490 L C 2.881 179.745 176.870 -0.009 0.000 1.073 490 L CA 1.289 56.138 54.840 0.015 0.000 0.744 490 L CB -1.100 40.976 42.059 0.028 0.000 0.898 490 L HN 0.379 nan 8.230 nan 0.000 0.435 491 A N 0.278 123.096 122.820 -0.003 0.000 1.859 491 A HA -0.316 4.007 4.320 0.005 0.000 0.218 491 A C 2.414 179.933 177.584 -0.109 0.000 1.209 491 A CA 2.400 54.409 52.037 -0.046 0.000 0.639 491 A CB -1.173 17.806 19.000 -0.034 0.000 0.835 491 A HN 0.439 nan 8.150 nan 0.000 0.450 492 A N -1.355 121.395 122.820 -0.116 0.000 2.178 492 A HA -0.131 4.192 4.320 0.005 0.000 0.218 492 A C 2.088 179.593 177.584 -0.131 0.000 1.157 492 A CA 1.770 53.727 52.037 -0.133 0.000 0.689 492 A CB -0.453 18.472 19.000 -0.125 0.000 0.787 492 A HN 0.761 nan 8.150 nan 0.000 0.465 493 Q N -0.414 119.333 119.800 -0.090 0.000 2.134 493 Q HA -0.033 4.309 4.340 0.005 0.000 0.195 493 Q C 1.983 177.941 176.000 -0.070 0.000 0.958 493 Q CA 0.813 56.574 55.803 -0.070 0.000 0.840 493 Q CB -0.014 28.701 28.738 -0.038 0.000 0.918 493 Q HN 0.641 nan 8.270 nan 0.000 0.467 494 R N 0.118 120.577 120.500 -0.067 0.000 2.276 494 R HA 0.039 4.381 4.340 0.005 0.000 0.203 494 R C 1.145 177.380 176.300 -0.108 0.000 1.017 494 R CA 0.667 56.729 56.100 -0.063 0.000 1.010 494 R CB 0.031 30.305 30.300 -0.042 0.000 0.900 494 R HN 0.184 nan 8.270 nan 0.000 0.469 495 N N -0.164 118.433 118.700 -0.172 0.000 2.336 495 N HA 0.021 4.764 4.740 0.005 0.000 0.189 495 N C 1.197 176.582 175.510 -0.208 0.000 1.113 495 N CA 0.352 53.211 53.050 -0.320 0.000 0.858 495 N CB 0.688 38.874 38.487 -0.502 0.000 0.970 495 N HN 0.292 nan 8.380 nan 0.000 0.471 496 G N -0.050 108.676 108.800 -0.123 0.000 2.545 496 G HA2 -0.066 3.896 3.960 0.005 0.000 0.212 496 G HA3 -0.066 3.896 3.960 0.005 0.000 0.212 496 G C 1.249 176.122 174.900 -0.045 0.000 1.144 496 G CA 0.018 45.071 45.100 -0.078 0.000 0.813 496 G HN 0.191 nan 8.290 nan 0.000 0.531 497 E N 0.768 120.943 120.200 -0.043 0.000 2.153 497 E HA -0.089 4.264 4.350 0.005 0.000 0.194 497 E C 2.327 178.921 176.600 -0.010 0.000 0.988 497 E CA 0.414 56.801 56.400 -0.021 0.000 0.811 497 E CB -0.139 29.553 29.700 -0.013 0.000 0.746 497 E HN 0.356 nan 8.360 nan 0.000 0.466 498 I N 1.281 121.845 120.570 -0.010 0.000 2.142 498 I HA -0.234 3.939 4.170 0.005 0.000 0.240 498 I C 2.339 178.491 176.117 0.059 0.000 1.078 498 I CA 1.158 62.480 61.300 0.036 0.000 1.343 498 I CB -0.371 37.654 38.000 0.043 0.000 1.046 498 I HN 0.013 nan 8.210 nan 0.000 0.405 499 I N -0.340 120.269 120.570 0.065 0.000 2.928 499 I HA -0.175 3.998 4.170 0.005 0.000 0.266 499 I C 2.303 178.410 176.117 -0.018 0.000 1.234 499 I CA 0.508 61.847 61.300 0.066 0.000 1.483 499 I CB -0.392 37.678 38.000 0.116 0.000 1.097 499 I HN 0.175 nan 8.210 nan 0.000 0.455 500 K N 1.726 122.098 120.400 -0.047 0.000 1.991 500 K HA -0.248 4.074 4.320 0.005 0.000 0.212 500 K C 2.187 178.612 176.600 -0.291 0.000 1.049 500 K CA 1.979 58.192 56.287 -0.123 0.000 0.932 500 K CB -0.125 32.333 32.500 -0.070 0.000 0.717 500 K HN 0.308 nan 8.250 nan 0.000 0.441 501 E N 0.378 120.468 120.200 -0.184 0.000 2.299 501 E HA -0.057 4.295 4.350 0.005 0.000 0.193 501 E C 1.121 177.681 176.600 -0.068 0.000 0.998 501 E CA 0.950 57.244 56.400 -0.177 0.000 0.851 501 E CB 0.070 29.819 29.700 0.082 0.000 0.795 501 E HN 0.343 nan 8.360 nan 0.000 0.492 502 A N 1.149 123.952 122.820 -0.029 0.000 2.291 502 A HA 0.213 4.536 4.320 0.005 0.000 0.220 502 A C 1.593 179.181 177.584 0.005 0.000 1.262 502 A CA 0.015 52.062 52.037 0.017 0.000 0.867 502 A CB -0.421 18.605 19.000 0.043 0.000 0.888 502 A HN 0.322 nan 8.150 nan 0.000 0.487 503 L N -2.249 118.944 121.223 -0.050 0.000 3.184 503 L HA 0.292 4.635 4.340 0.005 0.000 0.283 503 L C 1.196 178.051 176.870 -0.025 0.000 1.218 503 L CA 0.092 54.908 54.840 -0.040 0.000 1.028 503 L CB 0.124 42.147 42.059 -0.058 0.000 1.400 503 L HN 0.578 nan 8.230 nan 0.000 0.591 504 H N 0.215 119.304 119.070 0.031 0.000 2.562 504 H HA 0.204 4.763 4.556 0.005 0.000 0.267 504 H C 0.104 175.446 175.328 0.022 0.000 0.959 504 H CA 0.556 56.619 56.048 0.025 0.000 1.204 504 H CB 0.611 30.388 29.762 0.024 0.000 1.430 504 H HN 0.371 nan 8.280 nan 0.000 0.545 505 N N -0.238 118.543 118.700 0.135 0.000 2.658 505 N HA 0.025 4.768 4.740 0.005 0.000 0.238 505 N C -2.540 173.005 175.510 0.059 0.000 1.495 505 N CA -0.539 52.559 53.050 0.081 0.000 0.883 505 N CB 0.674 39.204 38.487 0.072 0.000 1.463 505 N HN 0.162 nan 8.380 nan 0.000 0.531 506 P HA -0.201 nan 4.420 nan 0.000 0.205 506 P C -0.068 177.251 177.300 0.031 0.000 1.193 506 P CA 0.905 64.027 63.100 0.037 0.000 0.929 506 P CB -0.424 31.296 31.700 0.033 0.000 0.772 507 N N 1.146 119.863 118.700 0.028 0.000 1.691 507 N HA -0.148 4.595 4.740 0.005 0.000 0.344 507 N C -0.683 174.838 175.510 0.019 0.000 1.264 507 N CA 0.370 53.434 53.050 0.023 0.000 0.780 507 N CB -0.192 38.308 38.487 0.022 0.000 1.003 507 N HN 0.160 nan 8.380 nan 0.000 0.515 508 L N 2.049 123.281 121.223 0.016 0.000 2.549 508 L HA 0.076 4.419 4.340 0.005 0.000 0.260 508 L C 0.370 177.246 176.870 0.010 0.000 1.109 508 L CA 0.303 55.150 54.840 0.012 0.000 0.900 508 L CB 0.967 43.033 42.059 0.011 0.000 1.119 508 L HN 1.090 nan 8.230 nan 0.000 0.471 509 S N 1.273 116.979 115.700 0.010 0.000 3.961 509 S HA -0.196 4.277 4.470 0.005 0.000 0.627 509 S C -0.079 174.527 174.600 0.010 0.000 2.148 509 S CA 0.457 58.662 58.200 0.009 0.000 4.099 509 S CB -1.078 62.126 63.200 0.006 0.000 0.219 509 S HN 0.492 nan 8.310 nan 0.000 0.744 510 V N 3.018 122.937 119.914 0.008 0.000 2.443 510 V HA 0.647 4.770 4.120 0.005 0.000 0.293 510 V C -0.674 175.425 176.094 0.008 0.000 1.021 510 V CA -0.249 62.057 62.300 0.009 0.000 0.848 510 V CB 1.147 32.976 31.823 0.009 0.000 0.998 510 V HN 0.829 nan 8.190 nan 0.000 0.424 511 D N 2.982 123.388 120.400 0.010 0.000 2.385 511 D HA 0.578 5.220 4.640 0.005 0.000 0.254 511 D C -0.508 175.797 176.300 0.009 0.000 1.053 511 D CA -0.780 53.225 54.000 0.007 0.000 0.992 511 D CB 1.125 41.929 40.800 0.006 0.000 1.145 511 D HN 0.316 nan 8.370 nan 0.000 0.523 512 E N 0.814 121.017 120.200 0.005 0.000 2.092 512 E HA 0.297 4.650 4.350 0.005 0.000 0.271 512 E C -2.221 174.382 176.600 0.004 0.000 0.919 512 E CA -1.989 54.414 56.400 0.005 0.000 0.760 512 E CB 0.792 30.491 29.700 -0.001 0.000 1.106 512 E HN 0.208 nan 8.360 nan 0.000 0.408 513 P HA -0.061 nan 4.420 nan 0.000 0.261 513 P C -0.491 176.811 177.300 0.003 0.000 1.173 513 P CA -0.071 63.044 63.100 0.025 0.000 0.760 513 P CB 0.377 32.108 31.700 0.052 0.000 0.783 514 L N 3.227 124.437 121.223 -0.021 0.000 2.439 514 L HA 0.098 4.441 4.340 0.005 0.000 0.269 514 L C 0.810 177.627 176.870 -0.089 0.000 1.179 514 L CA 0.611 55.406 54.840 -0.075 0.000 0.828 514 L CB -0.232 41.737 42.059 -0.149 0.000 1.106 514 L HN 0.328 nan 8.230 nan 0.000 0.467 515 D N 0.808 121.145 120.400 -0.104 0.000 2.767 515 D HA 0.192 4.835 4.640 0.005 0.000 0.231 515 D C -0.470 175.722 176.300 -0.179 0.000 1.105 515 D CA 0.128 54.066 54.000 -0.105 0.000 1.024 515 D CB -0.039 40.717 40.800 -0.073 0.000 1.123 515 D HN 0.287 nan 8.370 nan 0.000 0.470 516 V N -0.895 118.840 119.914 -0.298 0.000 2.439 516 V HA 0.319 4.442 4.120 0.005 0.000 0.282 516 V C 0.239 175.995 176.094 -0.563 0.000 1.039 516 V CA -1.075 60.947 62.300 -0.463 0.000 0.913 516 V CB 1.841 33.271 31.823 -0.655 0.000 0.983 516 V HN 0.037 nan 8.190 nan 0.000 0.460 517 D N 2.724 122.946 120.400 -0.297 0.000 2.563 517 D HA 0.300 4.943 4.640 0.005 0.000 0.222 517 D C 0.691 176.816 176.300 -0.292 0.000 1.145 517 D CA -0.325 53.529 54.000 -0.244 0.000 1.001 517 D CB 0.044 40.780 40.800 -0.107 0.000 1.049 517 D HN 0.586 nan 8.370 nan 0.000 0.515 518 Y N 1.306 121.554 120.300 -0.087 0.000 2.271 518 Y HA -0.288 4.265 4.550 0.004 0.000 0.284 518 Y C 2.183 177.843 175.900 -0.399 0.000 1.189 518 Y CA 0.748 58.751 58.100 -0.161 0.000 1.229 518 Y CB -0.389 37.974 38.460 -0.162 0.000 0.973 518 Y HN 0.304 nan 8.280 nan 0.000 0.537 519 R N -0.431 119.742 120.500 -0.546 0.000 2.228 519 R HA -0.179 4.164 4.340 0.005 0.000 0.259 519 R C -0.507 175.240 176.300 -0.921 0.000 1.183 519 R CA 1.379 56.863 56.100 -1.027 0.000 1.002 519 R CB -0.532 28.706 30.300 -1.769 0.000 0.879 519 R HN 0.217 nan 8.270 nan 0.000 0.467 520 F N -0.179 119.681 119.950 -0.151 0.000 2.561 520 F HA 0.309 4.839 4.527 0.004 0.000 0.321 520 F C 0.410 176.161 175.800 -0.082 0.000 1.065 520 F CA -1.997 55.953 58.000 -0.084 0.000 0.934 520 F CB 0.657 39.628 39.000 -0.048 0.000 1.215 520 F HN -0.242 nan 8.300 nan 0.000 0.471 521 D N 0.949 121.409 120.400 0.100 0.000 2.390 521 D HA -0.056 4.587 4.640 0.005 0.000 0.236 521 D C 0.975 177.342 176.300 0.112 0.000 1.189 521 D CA 0.375 54.363 54.000 -0.021 0.000 0.887 521 D CB 0.628 41.437 40.800 0.015 0.000 1.198 521 D HN 0.205 nan 8.370 nan 0.000 0.444 522 F N 0.498 120.478 119.950 0.050 0.000 1.988 522 F HA -0.114 4.415 4.527 0.005 0.000 0.296 522 F C 1.649 177.461 175.800 0.020 0.000 1.178 522 F CA 0.829 58.845 58.000 0.026 0.000 1.174 522 F CB -0.753 38.255 39.000 0.013 0.000 0.963 522 F HN 0.394 nan 8.300 nan 0.000 0.489 523 S N -1.783 114.052 115.700 0.226 0.000 2.899 523 S HA -0.043 4.430 4.470 0.005 0.000 0.249 523 S C -0.295 174.357 174.600 0.087 0.000 0.652 523 S CA -0.306 57.959 58.200 0.107 0.000 1.024 523 S CB -0.939 62.300 63.200 0.064 0.000 1.275 523 S HN 0.250 nan 8.310 nan 0.000 0.563 524 D N 1.885 122.318 120.400 0.056 0.000 2.219 524 D HA -0.027 4.615 4.640 0.005 0.000 0.205 524 D C 1.798 178.110 176.300 0.020 0.000 0.970 524 D CA 1.031 55.057 54.000 0.043 0.000 0.851 524 D CB 0.099 40.918 40.800 0.033 0.000 0.943 524 D HN 0.545 nan 8.370 nan 0.000 0.488 525 E N 0.752 120.955 120.200 0.006 0.000 2.038 525 E HA -0.177 4.176 4.350 0.005 0.000 0.195 525 E C 1.993 178.568 176.600 -0.041 0.000 1.000 525 E CA 0.975 57.365 56.400 -0.016 0.000 0.803 525 E CB 0.083 29.770 29.700 -0.021 0.000 0.750 525 E HN 0.239 nan 8.360 nan 0.000 0.448 526 I N 0.745 121.276 120.570 -0.064 0.000 2.202 526 I HA -0.224 3.949 4.170 0.005 0.000 0.242 526 I C 2.388 178.432 176.117 -0.120 0.000 1.091 526 I CA 1.139 62.343 61.300 -0.159 0.000 1.368 526 I CB -1.202 36.626 38.000 -0.287 0.000 1.058 526 I HN 0.038 nan 8.210 nan 0.000 0.410 527 K N 0.583 120.975 120.400 -0.013 0.000 2.218 527 K HA -0.222 4.101 4.320 0.005 0.000 0.205 527 K C 2.001 178.615 176.600 0.023 0.000 1.046 527 K CA 1.402 57.721 56.287 0.053 0.000 0.933 527 K CB -0.020 32.540 32.500 0.100 0.000 0.728 527 K HN 0.205 nan 8.250 nan 0.000 0.454 528 E N 0.461 120.661 120.200 -0.000 0.000 2.122 528 E HA -0.039 4.314 4.350 0.005 0.000 0.190 528 E C 1.259 177.852 176.600 -0.012 0.000 0.977 528 E CA 1.020 57.420 56.400 -0.001 0.000 0.820 528 E CB 0.204 29.903 29.700 -0.002 0.000 0.770 528 E HN 0.163 nan 8.360 nan 0.000 0.462 529 K N 0.267 120.646 120.400 -0.036 0.000 2.439 529 K HA 0.007 4.329 4.320 0.005 0.000 0.197 529 K C 1.474 178.050 176.600 -0.040 0.000 1.041 529 K CA 0.372 56.632 56.287 -0.045 0.000 0.970 529 K CB 0.187 32.645 32.500 -0.070 0.000 0.773 529 K HN 0.119 nan 8.250 nan 0.000 0.479 530 I N 1.659 122.210 120.570 -0.032 0.000 2.277 530 I HA -0.176 3.997 4.170 0.005 0.000 0.243 530 I C 1.777 177.904 176.117 0.017 0.000 1.094 530 I CA 1.440 62.737 61.300 -0.005 0.000 1.393 530 I CB -0.786 37.235 38.000 0.035 0.000 1.078 530 I HN 0.093 nan 8.210 nan 0.000 0.417 531 K N 0.847 121.260 120.400 0.021 0.000 2.283 531 K HA -0.149 4.174 4.320 0.005 0.000 0.202 531 K C 1.846 178.456 176.600 0.017 0.000 1.048 531 K CA 0.683 56.985 56.287 0.025 0.000 0.948 531 K CB -0.095 32.421 32.500 0.027 0.000 0.742 531 K HN 0.168 nan 8.250 nan 0.000 0.458 532 K N 0.756 121.161 120.400 0.008 0.000 2.525 532 K HA -0.003 4.320 4.320 0.005 0.000 0.192 532 K C -0.417 176.186 176.600 0.005 0.000 1.029 532 K CA 0.127 56.416 56.287 0.004 0.000 1.029 532 K CB 0.229 32.727 32.500 -0.004 0.000 0.814 532 K HN -0.079 nan 8.250 nan 0.000 0.503 533 L N -0.217 121.012 121.223 0.010 0.000 2.322 533 L HA 0.278 4.620 4.340 0.005 0.000 0.269 533 L C 0.079 176.961 176.870 0.020 0.000 1.012 533 L CA -0.413 54.435 54.840 0.013 0.000 0.815 533 L CB 1.755 43.822 42.059 0.013 0.000 1.295 533 L HN -0.013 nan 8.230 nan 0.000 0.438 534 S N 0.068 115.781 115.700 0.021 0.000 2.722 534 S HA 0.663 5.136 4.470 0.005 0.000 0.292 534 S C 1.017 175.634 174.600 0.027 0.000 1.135 534 S CA -0.061 58.153 58.200 0.024 0.000 1.003 534 S CB 1.325 64.537 63.200 0.020 0.000 1.067 534 S HN 0.728 nan 8.310 nan 0.000 0.546 535 A N 1.224 124.061 122.820 0.027 0.000 1.940 535 A HA -0.093 4.230 4.320 0.005 0.000 0.219 535 A C 2.174 179.774 177.584 0.028 0.000 1.176 535 A CA 1.589 53.643 52.037 0.028 0.000 0.631 535 A CB -0.837 18.180 19.000 0.028 0.000 0.814 535 A HN 0.730 nan 8.150 nan 0.000 0.446 536 K N 0.478 120.893 120.400 0.025 0.000 1.973 536 K HA -0.060 4.262 4.320 0.005 0.000 0.210 536 K C 2.195 178.814 176.600 0.031 0.000 1.045 536 K CA 1.914 58.215 56.287 0.024 0.000 0.937 536 K CB -0.774 31.738 32.500 0.019 0.000 0.721 536 K HN 0.439 nan 8.250 nan 0.000 0.438 537 S N 1.390 117.108 115.700 0.030 0.000 2.400 537 S HA -0.086 4.387 4.470 0.005 0.000 0.232 537 S C 1.819 176.446 174.600 0.046 0.000 1.025 537 S CA 0.802 59.022 58.200 0.033 0.000 0.993 537 S CB -0.138 63.076 63.200 0.024 0.000 0.808 537 S HN 0.145 nan 8.310 nan 0.000 0.478 538 L N 0.931 122.183 121.223 0.048 0.000 2.589 538 L HA 0.138 4.481 4.340 0.005 0.000 0.146 538 L C 1.709 178.625 176.870 0.076 0.000 1.557 538 L CA -0.162 54.717 54.840 0.065 0.000 3.084 538 L CB -0.519 41.572 42.059 0.053 0.000 3.028 538 L HN 0.113 nan 8.230 nan 0.000 0.925 539 N N -0.215 118.527 118.700 0.070 0.000 2.321 539 N HA -0.367 4.376 4.740 0.005 0.000 0.224 539 N C 1.434 177.020 175.510 0.126 0.000 0.595 539 N CA 2.484 55.580 53.050 0.077 0.000 3.346 539 N CB -0.670 37.845 38.487 0.047 0.000 0.816 539 N HN 0.511 nan 8.380 nan 0.000 0.397 540 E N 0.367 120.648 120.200 0.135 0.000 2.208 540 E HA 0.071 4.424 4.350 0.005 0.000 0.193 540 E C 1.989 178.706 176.600 0.195 0.000 0.988 540 E CA 1.008 57.533 56.400 0.208 0.000 0.828 540 E CB -0.147 29.650 29.700 0.162 0.000 0.763 540 E HN 0.436 nan 8.360 nan 0.000 0.478 541 M N -0.193 119.507 119.600 0.165 0.000 2.059 541 M HA -0.036 4.447 4.480 0.005 0.000 0.259 541 M C 2.060 178.427 176.300 0.112 0.000 1.072 541 M CA 1.343 56.769 55.300 0.209 0.000 1.117 541 M CB -0.295 32.421 32.600 0.194 0.000 1.320 541 M HN 0.332 nan 8.290 nan 0.000 0.408 542 L N -0.718 120.559 121.223 0.091 0.000 2.291 542 L HA -0.125 4.218 4.340 0.005 0.000 0.214 542 L C 2.048 178.932 176.870 0.024 0.000 1.120 542 L CA 0.861 55.721 54.840 0.033 0.000 0.799 542 L CB -0.401 41.684 42.059 0.044 0.000 0.925 542 L HN 0.358 nan 8.230 nan 0.000 0.446 543 F N 0.750 120.654 119.950 -0.078 0.000 2.098 543 F HA -0.123 4.407 4.527 0.005 0.000 0.294 543 F C 2.491 178.201 175.800 -0.150 0.000 1.107 543 F CA 1.472 59.424 58.000 -0.080 0.000 1.234 543 F CB -0.493 38.484 39.000 -0.038 0.000 1.002 543 F HN -0.065 nan 8.300 nan 0.000 0.472 544 R N 0.552 120.731 120.500 -0.534 0.000 2.096 544 R HA -0.172 4.171 4.340 0.005 0.000 0.240 544 R C 2.455 178.246 176.300 -0.848 0.000 1.139 544 R CA 1.523 57.168 56.100 -0.757 0.000 0.952 544 R CB -1.117 28.868 30.300 -0.526 0.000 0.854 544 R HN 0.435 nan 8.270 nan 0.000 0.436 545 A N 2.036 124.274 122.820 -0.971 0.000 1.834 545 A HA -0.282 4.041 4.320 0.005 0.000 0.216 545 A C 2.223 179.576 177.584 -0.386 0.000 1.203 545 A CA 1.823 53.400 52.037 -0.767 0.000 0.621 545 A CB -0.935 17.760 19.000 -0.509 0.000 0.841 545 A HN 0.557 nan 8.150 nan 0.000 0.446 546 Q N -1.383 118.265 119.800 -0.252 0.000 2.248 546 Q HA -0.231 4.111 4.340 0.005 0.000 0.208 546 Q C 1.997 177.911 176.000 -0.144 0.000 0.984 546 Q CA 1.814 57.536 55.803 -0.135 0.000 0.875 546 Q CB -0.267 28.445 28.738 -0.044 0.000 0.910 546 Q HN 0.549 nan 8.270 nan 0.000 0.433 547 R N 1.007 121.349 120.500 -0.264 0.000 2.189 547 R HA -0.024 4.319 4.340 0.005 0.000 0.203 547 R C 1.949 178.109 176.300 -0.233 0.000 1.012 547 R CA 1.616 57.556 56.100 -0.266 0.000 1.015 547 R CB -0.267 29.719 30.300 -0.523 0.000 0.938 547 R HN 0.528 nan 8.270 nan 0.000 0.472 548 T N -1.820 112.563 114.554 -0.284 0.000 3.055 548 T HA -0.025 4.328 4.350 0.005 0.000 0.265 548 T C 1.569 176.204 174.700 -0.109 0.000 1.111 548 T CA 0.898 62.888 62.100 -0.185 0.000 1.118 548 T CB 0.041 68.798 68.868 -0.185 0.000 0.909 548 T HN 0.311 nan 8.240 nan 0.000 0.501 549 E N 0.998 121.125 120.200 -0.122 0.000 2.170 549 E HA -0.058 4.295 4.350 0.005 0.000 0.191 549 E C 1.906 178.486 176.600 -0.032 0.000 0.981 549 E CA 0.533 56.895 56.400 -0.063 0.000 0.830 549 E CB -0.079 29.576 29.700 -0.076 0.000 0.775 549 E HN 0.437 nan 8.360 nan 0.000 0.470 550 V N 2.167 122.054 119.914 -0.046 0.000 2.232 550 V HA -0.279 3.844 4.120 0.005 0.000 0.237 550 V C 2.631 178.724 176.094 -0.001 0.000 1.035 550 V CA 2.005 64.297 62.300 -0.014 0.000 0.988 550 V CB -1.295 30.523 31.823 -0.007 0.000 0.636 550 V HN 0.453 nan 8.190 nan 0.000 0.456 551 A N 0.601 123.418 122.820 -0.006 0.000 1.883 551 A HA -0.336 3.987 4.320 0.005 0.000 0.222 551 A C 2.414 180.015 177.584 0.028 0.000 1.339 551 A CA 3.160 55.205 52.037 0.013 0.000 0.692 551 A CB -1.771 17.223 19.000 -0.010 0.000 0.845 551 A HN 0.719 nan 8.150 nan 0.000 0.467 552 G N -0.204 108.628 108.800 0.053 0.000 2.529 552 G HA2 -0.342 3.621 3.960 0.005 0.000 0.219 552 G HA3 -0.342 3.621 3.960 0.005 0.000 0.219 552 G C 1.640 176.602 174.900 0.103 0.000 1.177 552 G CA 2.699 47.892 45.100 0.154 0.000 0.773 552 G HN 1.007 nan 8.290 nan 0.000 0.573 553 M N 0.346 119.980 119.600 0.055 0.000 2.202 553 M HA 0.035 4.518 4.480 0.005 0.000 0.262 553 M C 2.182 178.475 176.300 -0.012 0.000 1.063 553 M CA 2.534 57.850 55.300 0.026 0.000 1.097 553 M CB -1.165 31.449 32.600 0.023 0.000 1.382 553 M HN 0.006 nan 8.290 nan 0.000 0.413 554 T N 1.261 115.809 114.554 -0.011 0.000 2.665 554 T HA -0.159 4.193 4.350 0.005 0.000 0.268 554 T C 1.980 176.621 174.700 -0.100 0.000 1.035 554 T CA 2.238 64.324 62.100 -0.024 0.000 1.151 554 T CB -0.752 68.121 68.868 0.008 0.000 0.862 554 T HN 0.673 nan 8.240 nan 0.000 0.438 555 A N 1.521 124.238 122.820 -0.171 0.000 1.902 555 A HA -0.155 4.168 4.320 0.005 0.000 0.217 555 A C 2.316 179.681 177.584 -0.364 0.000 1.181 555 A CA 1.769 53.590 52.037 -0.361 0.000 0.623 555 A CB -0.736 17.877 19.000 -0.645 0.000 0.818 555 A HN 0.483 nan 8.150 nan 0.000 0.443 556 Q N 0.012 119.668 119.800 -0.240 0.000 2.152 556 Q HA -0.203 4.140 4.340 0.005 0.000 0.206 556 Q C 1.838 177.749 176.000 -0.148 0.000 0.985 556 Q CA 1.891 57.603 55.803 -0.153 0.000 0.863 556 Q CB -0.314 28.393 28.738 -0.052 0.000 0.904 556 Q HN 0.547 nan 8.270 nan 0.000 0.422 557 I N 1.588 122.083 120.570 -0.125 0.000 2.233 557 I HA -0.208 3.964 4.170 0.005 0.000 0.243 557 I C 2.363 178.366 176.117 -0.190 0.000 1.093 557 I CA 0.849 62.090 61.300 -0.099 0.000 1.380 557 I CB -1.663 36.303 38.000 -0.056 0.000 1.067 557 I HN 0.323 nan 8.210 nan 0.000 0.413 558 N N 1.746 120.295 118.700 -0.252 0.000 2.036 558 N HA -0.254 4.488 4.740 0.005 0.000 0.199 558 N C 1.893 177.206 175.510 -0.328 0.000 1.036 558 N CA 1.778 54.627 53.050 -0.334 0.000 0.870 558 N CB -0.074 38.190 38.487 -0.371 0.000 1.055 558 N HN 0.247 nan 8.380 nan 0.000 0.436 559 R N 1.247 121.560 120.500 -0.311 0.000 2.094 559 R HA -0.127 4.216 4.340 0.005 0.000 0.239 559 R C 2.249 178.463 176.300 -0.144 0.000 1.137 559 R CA 1.085 57.047 56.100 -0.231 0.000 0.943 559 R CB -1.086 29.089 30.300 -0.208 0.000 0.850 559 R HN 0.448 nan 8.270 nan 0.000 0.433 560 K N 0.875 121.198 120.400 -0.128 0.000 2.144 560 K HA -0.157 4.166 4.320 0.005 0.000 0.209 560 K C 2.225 178.827 176.600 0.004 0.000 1.047 560 K CA 1.379 57.642 56.287 -0.040 0.000 0.927 560 K CB -0.110 32.405 32.500 0.025 0.000 0.716 560 K HN 0.122 nan 8.250 nan 0.000 0.454 561 L N 0.073 121.221 121.223 -0.127 0.000 1.973 561 L HA -0.210 4.133 4.340 0.005 0.000 0.208 561 L C 2.369 179.174 176.870 -0.109 0.000 1.073 561 L CA 0.555 55.269 54.840 -0.209 0.000 0.746 561 L CB -0.622 41.132 42.059 -0.510 0.000 0.891 561 L HN 0.182 nan 8.230 nan 0.000 0.433 562 L N 0.236 121.360 121.223 -0.164 0.000 1.991 562 L HA -0.311 4.032 4.340 0.005 0.000 0.221 562 L C 2.485 179.508 176.870 0.256 0.000 1.079 562 L CA 1.942 56.712 54.840 -0.116 0.000 0.778 562 L CB -0.876 41.022 42.059 -0.269 0.000 0.893 562 L HN 0.173 nan 8.230 nan 0.000 0.437 563 I N -0.639 120.067 120.570 0.227 0.000 2.236 563 I HA -0.376 3.797 4.170 0.005 0.000 0.249 563 I C 1.903 178.178 176.117 0.264 0.000 1.102 563 I CA 1.476 62.958 61.300 0.302 0.000 1.365 563 I CB -0.273 37.847 38.000 0.200 0.000 1.051 563 I HN 0.411 nan 8.210 nan 0.000 0.420 564 N N -0.018 118.797 118.700 0.191 0.000 2.376 564 N HA -0.062 4.681 4.740 0.005 0.000 0.177 564 N C 1.415 177.046 175.510 0.201 0.000 1.024 564 N CA 1.122 54.279 53.050 0.178 0.000 0.893 564 N CB 0.035 38.623 38.487 0.169 0.000 0.980 564 N HN 0.270 nan 8.380 nan 0.000 0.439 565 S N -0.406 115.425 115.700 0.218 0.000 2.622 565 S HA 0.159 4.632 4.470 0.005 0.000 0.236 565 S C 1.390 176.224 174.600 0.390 0.000 0.956 565 S CA -0.379 57.961 58.200 0.233 0.000 0.971 565 S CB -0.045 63.226 63.200 0.117 0.000 0.782 565 S HN 0.134 nan 8.310 nan 0.000 0.468 566 L N 1.203 122.674 121.223 0.412 0.000 2.022 566 L HA 0.188 4.530 4.340 0.005 0.000 0.204 566 L C 2.123 179.015 176.870 0.036 0.000 1.076 566 L CA 1.614 56.549 54.840 0.159 0.000 0.749 566 L CB -1.144 40.904 42.059 -0.020 0.000 0.903 566 L HN 0.368 nan 8.230 nan 0.000 0.439 567 Y N 0.633 120.956 120.300 0.039 0.000 2.365 567 Y HA -0.157 4.401 4.550 0.013 0.000 0.287 567 Y C 2.066 178.012 175.900 0.077 0.000 1.162 567 Y CA 1.459 59.600 58.100 0.068 0.000 1.260 567 Y CB -0.693 37.907 38.460 0.232 0.000 0.976 567 Y HN 0.282 nan 8.280 nan 0.000 0.548 568 G N -0.052 108.902 108.800 0.257 0.000 2.480 568 G HA2 -0.314 3.648 3.960 0.005 0.000 0.216 568 G HA3 -0.314 3.648 3.960 0.005 0.000 0.216 568 G C 1.844 176.718 174.900 -0.043 0.000 1.200 568 G CA 1.127 46.316 45.100 0.149 0.000 0.782 568 G HN 0.574 nan 8.290 nan 0.000 0.554 569 A N 0.276 123.005 122.820 -0.151 0.000 1.898 569 A HA 0.150 4.473 4.320 0.005 0.000 0.216 569 A C 2.458 179.826 177.584 -0.361 0.000 1.181 569 A CA 1.191 52.965 52.037 -0.437 0.000 0.620 569 A CB -0.372 18.104 19.000 -0.873 0.000 0.819 569 A HN 0.350 nan 8.150 nan 0.000 0.442 570 L N -0.819 120.263 121.223 -0.234 0.000 2.093 570 L HA -0.111 4.232 4.340 0.005 0.000 0.208 570 L C 2.579 179.432 176.870 -0.029 0.000 1.085 570 L CA 1.156 56.003 54.840 0.011 0.000 0.755 570 L CB -0.701 41.299 42.059 -0.098 0.000 0.904 570 L HN 0.516 nan 8.230 nan 0.000 0.435 571 G N -0.841 107.777 108.800 -0.303 0.000 2.848 571 G HA2 -0.160 3.803 3.960 0.005 0.000 0.208 571 G HA3 -0.160 3.803 3.960 0.005 0.000 0.208 571 G C 0.552 175.356 174.900 -0.161 0.000 1.152 571 G CA -0.167 44.770 45.100 -0.271 0.000 0.789 571 G HN 0.307 nan 8.290 nan 0.000 0.531 572 N N 0.614 119.230 118.700 -0.139 0.000 2.437 572 N HA 0.179 4.922 4.740 0.005 0.000 0.259 572 N C 1.438 176.719 175.510 -0.382 0.000 0.983 572 N CA -0.570 52.375 53.050 -0.175 0.000 0.937 572 N CB 1.821 40.304 38.487 -0.006 0.000 1.122 572 N HN -0.165 nan 8.380 nan 0.000 0.499 573 V N 4.048 123.523 119.914 -0.733 0.000 2.277 573 V HA -0.288 3.835 4.120 0.005 0.000 0.255 573 V C 1.271 177.153 176.094 -0.354 0.000 1.074 573 V CA 2.031 63.781 62.300 -0.917 0.000 1.058 573 V CB -0.513 30.999 31.823 -0.519 0.000 0.656 573 V HN 0.771 nan 8.190 nan 0.000 0.449 574 W N -2.205 119.074 121.300 -0.036 0.000 2.595 574 W HA 0.104 4.768 4.660 0.006 0.000 0.257 574 W C 0.918 177.578 176.519 0.236 0.000 1.267 574 W CA -0.320 57.089 57.345 0.105 0.000 1.300 574 W CB -0.315 29.187 29.460 0.070 0.000 1.120 574 W HN 0.135 nan 8.180 nan 0.000 0.618 575 F N 2.825 122.913 119.950 0.230 0.000 2.571 575 F HA 0.031 4.595 4.527 0.061 0.000 0.384 575 F C 1.938 177.918 175.800 0.299 0.000 1.058 575 F CA -0.678 57.467 58.000 0.242 0.000 1.200 575 F CB 0.375 39.477 39.000 0.171 0.000 1.077 575 F HN -0.122 nan 8.300 nan 0.000 0.558 576 R N 4.207 124.778 120.500 0.119 0.000 2.162 576 R HA -0.268 4.075 4.340 0.005 0.000 0.245 576 R C 1.075 177.265 176.300 -0.182 0.000 1.129 576 R CA 2.467 58.548 56.100 -0.031 0.000 0.940 576 R CB -0.575 29.709 30.300 -0.028 0.000 0.875 576 R HN 0.683 nan 8.270 nan 0.000 0.437 577 Y N -0.687 119.141 120.300 -0.787 0.000 2.519 577 Y HA 0.010 4.485 4.550 -0.124 0.000 0.311 577 Y C 0.123 175.879 175.900 -0.239 0.000 1.207 577 Y CA -0.753 57.042 58.100 -0.509 0.000 1.289 577 Y CB -1.357 36.742 38.460 -0.600 0.000 1.059 577 Y HN 0.148 nan 8.280 nan 0.000 0.507 578 Y N 2.375 122.611 120.300 -0.106 0.000 2.497 578 Y HA 0.303 4.862 4.550 0.015 0.000 0.334 578 Y C -0.035 175.667 175.900 -0.330 0.000 1.199 578 Y CA -0.502 57.514 58.100 -0.140 0.000 1.425 578 Y CB 0.527 38.891 38.460 -0.161 0.000 1.291 578 Y HN 0.198 nan 8.280 nan 0.000 0.562 579 D N 5.951 125.661 120.400 -1.150 0.000 2.931 579 D HA 0.008 4.650 4.640 0.005 0.000 0.215 579 D C -0.118 175.540 176.300 -1.070 0.000 1.297 579 D CA -0.486 52.855 54.000 -1.098 0.000 0.892 579 D CB 1.670 42.196 40.800 -0.458 0.000 1.642 579 D HN 0.724 nan 8.370 nan 0.000 0.560 580 L N 5.072 125.669 121.223 -1.044 0.000 2.012 580 L HA -0.068 4.275 4.340 0.005 0.000 0.210 580 L C 2.459 179.113 176.870 -0.360 0.000 1.073 580 L CA 1.771 56.251 54.840 -0.600 0.000 0.748 580 L CB -0.251 41.606 42.059 -0.336 0.000 0.891 580 L HN 0.459 nan 8.230 nan 0.000 0.431 581 R N -0.698 119.635 120.500 -0.279 0.000 2.091 581 R HA -0.178 4.165 4.340 0.005 0.000 0.238 581 R C 2.097 178.325 176.300 -0.120 0.000 1.136 581 R CA 1.464 57.461 56.100 -0.172 0.000 0.959 581 R CB -0.636 29.569 30.300 -0.158 0.000 0.856 581 R HN 0.473 nan 8.270 nan 0.000 0.437 582 N N 0.815 119.430 118.700 -0.141 0.000 2.025 582 N HA -0.170 4.573 4.740 0.005 0.000 0.194 582 N C 1.769 177.215 175.510 -0.107 0.000 1.044 582 N CA 1.745 54.753 53.050 -0.071 0.000 0.851 582 N CB -0.636 37.783 38.487 -0.114 0.000 1.036 582 N HN 0.210 nan 8.380 nan 0.000 0.422 583 A N 0.498 123.188 122.820 -0.217 0.000 1.869 583 A HA -0.219 4.103 4.320 0.005 0.000 0.218 583 A C 2.400 179.963 177.584 -0.036 0.000 1.203 583 A CA 2.752 54.651 52.037 -0.229 0.000 0.638 583 A CB -1.435 17.230 19.000 -0.558 0.000 0.831 583 A HN 0.420 nan 8.150 nan 0.000 0.450 584 T N 0.399 114.923 114.554 -0.051 0.000 2.699 584 T HA -0.090 4.263 4.350 0.005 0.000 0.268 584 T C 2.172 176.922 174.700 0.083 0.000 1.036 584 T CA 1.863 64.036 62.100 0.121 0.000 1.147 584 T CB -0.652 68.249 68.868 0.055 0.000 0.862 584 T HN 0.705 nan 8.240 nan 0.000 0.446 585 A N 1.320 124.161 122.820 0.034 0.000 1.903 585 A HA -0.161 4.161 4.320 0.005 0.000 0.219 585 A C 2.201 179.836 177.584 0.085 0.000 1.191 585 A CA 1.761 53.837 52.037 0.065 0.000 0.638 585 A CB -0.930 18.136 19.000 0.111 0.000 0.823 585 A HN 0.554 nan 8.150 nan 0.000 0.451 586 I N -0.867 119.720 120.570 0.029 0.000 2.054 586 I HA -0.260 3.913 4.170 0.005 0.000 0.231 586 I C 2.888 178.998 176.117 -0.012 0.000 1.052 586 I CA 2.007 63.284 61.300 -0.039 0.000 1.320 586 I CB -1.102 36.828 38.000 -0.117 0.000 1.063 586 I HN 0.505 nan 8.210 nan 0.000 0.393 587 T N 0.079 114.632 114.554 -0.003 0.000 2.680 587 T HA -0.291 4.061 4.350 0.005 0.000 0.268 587 T C 1.856 176.627 174.700 0.119 0.000 1.033 587 T CA 3.013 65.145 62.100 0.054 0.000 1.152 587 T CB -1.077 67.882 68.868 0.151 0.000 0.859 587 T HN 0.612 nan 8.240 nan 0.000 0.452 588 T N -0.646 113.971 114.554 0.105 0.000 2.737 588 T HA -0.047 4.306 4.350 0.005 0.000 0.265 588 T C 1.606 176.345 174.700 0.066 0.000 1.038 588 T CA 1.226 63.362 62.100 0.060 0.000 1.144 588 T CB -1.006 67.862 68.868 0.001 0.000 0.866 588 T HN 0.349 nan 8.240 nan 0.000 0.434 589 F N 3.032 122.945 119.950 -0.061 0.000 2.043 589 F HA 0.042 4.571 4.527 0.003 0.000 0.297 589 F C 2.635 178.407 175.800 -0.047 0.000 1.121 589 F CA 1.278 59.226 58.000 -0.087 0.000 1.199 589 F CB -1.190 37.746 39.000 -0.107 0.000 0.968 589 F HN 0.251 nan 8.300 nan 0.000 0.478 590 G N -0.433 108.591 108.800 0.374 0.000 2.529 590 G HA2 -0.324 3.639 3.960 0.005 0.000 0.219 590 G HA3 -0.324 3.639 3.960 0.005 0.000 0.219 590 G C 1.569 176.615 174.900 0.243 0.000 1.177 590 G CA 0.918 46.197 45.100 0.297 0.000 0.773 590 G HN 0.462 nan 8.290 nan 0.000 0.573 591 Q N -0.646 119.273 119.800 0.198 0.000 2.197 591 Q HA -0.164 4.179 4.340 0.005 0.000 0.207 591 Q C 2.413 178.435 176.000 0.037 0.000 0.984 591 Q CA 1.473 57.359 55.803 0.139 0.000 0.869 591 Q CB -0.223 28.575 28.738 0.099 0.000 0.906 591 Q HN 0.676 nan 8.270 nan 0.000 0.426 592 M N -0.269 119.358 119.600 0.045 0.000 2.115 592 M HA -0.087 4.396 4.480 0.005 0.000 0.261 592 M C 2.180 178.564 176.300 0.141 0.000 1.079 592 M CA 1.541 56.849 55.300 0.013 0.000 1.143 592 M CB -0.218 32.300 32.600 -0.137 0.000 1.332 592 M HN 0.130 nan 8.290 nan 0.000 0.421 593 A N 1.635 124.569 122.820 0.190 0.000 1.971 593 A HA -0.217 4.106 4.320 0.005 0.000 0.222 593 A C 2.077 179.904 177.584 0.406 0.000 1.182 593 A CA 1.662 53.881 52.037 0.303 0.000 0.649 593 A CB -1.209 17.895 19.000 0.172 0.000 0.818 593 A HN 0.608 nan 8.150 nan 0.000 0.458 594 L N 0.248 121.634 121.223 0.271 0.000 1.932 594 L HA -0.232 4.110 4.340 0.005 0.000 0.217 594 L C 2.980 179.967 176.870 0.195 0.000 1.077 594 L CA 2.657 57.646 54.840 0.249 0.000 0.765 594 L CB -1.563 40.654 42.059 0.264 0.000 0.888 594 L HN 0.744 nan 8.230 nan 0.000 0.433 595 Q N -1.188 118.646 119.800 0.056 0.000 2.291 595 Q HA -0.251 4.092 4.340 0.005 0.000 0.205 595 Q C 2.120 178.182 176.000 0.103 0.000 0.970 595 Q CA 1.358 57.165 55.803 0.007 0.000 0.876 595 Q CB -0.699 27.942 28.738 -0.163 0.000 0.935 595 Q HN 0.685 nan 8.270 nan 0.000 0.455 596 W N 1.934 123.260 121.300 0.043 0.000 2.352 596 W HA -0.212 4.453 4.660 0.009 0.000 0.322 596 W C 1.809 178.371 176.519 0.071 0.000 1.208 596 W CA 0.970 58.366 57.345 0.085 0.000 1.286 596 W CB -0.347 29.210 29.460 0.163 0.000 1.167 596 W HN 0.180 nan 8.180 nan 0.000 0.469 597 I N 2.190 122.951 120.570 0.318 0.000 2.454 597 I HA -0.290 3.882 4.170 0.005 0.000 0.254 597 I C 2.514 178.565 176.117 -0.109 0.000 1.156 597 I CA 2.403 63.711 61.300 0.013 0.000 1.433 597 I CB -0.810 37.231 38.000 0.067 0.000 1.082 597 I HN 0.289 nan 8.210 nan 0.000 0.432 598 E N 0.741 120.929 120.200 -0.019 0.000 2.031 598 E HA -0.309 4.044 4.350 0.005 0.000 0.193 598 E C 2.440 178.974 176.600 -0.110 0.000 0.994 598 E CA 1.545 57.919 56.400 -0.044 0.000 0.800 598 E CB -0.557 29.155 29.700 0.019 0.000 0.752 598 E HN 0.492 nan 8.360 nan 0.000 0.447 599 R N 0.829 121.244 120.500 -0.140 0.000 2.103 599 R HA -0.218 4.125 4.340 0.005 0.000 0.234 599 R C 2.236 178.395 176.300 -0.235 0.000 1.132 599 R CA 2.017 58.004 56.100 -0.189 0.000 0.925 599 R CB -0.243 29.915 30.300 -0.237 0.000 0.842 599 R HN 0.003 nan 8.270 nan 0.000 0.430 600 K N 0.342 120.540 120.400 -0.336 0.000 2.097 600 K HA -0.188 4.135 4.320 0.005 0.000 0.214 600 K C 2.106 178.595 176.600 -0.184 0.000 1.052 600 K CA 1.660 57.758 56.287 -0.316 0.000 0.932 600 K CB -0.825 31.427 32.500 -0.412 0.000 0.716 600 K HN 0.204 nan 8.250 nan 0.000 0.455 601 V N 2.218 122.015 119.914 -0.196 0.000 2.214 601 V HA -0.311 3.812 4.120 0.005 0.000 0.244 601 V C 2.102 178.148 176.094 -0.080 0.000 1.045 601 V CA 2.101 64.311 62.300 -0.150 0.000 0.993 601 V CB -0.593 31.131 31.823 -0.163 0.000 0.633 601 V HN 0.341 nan 8.190 nan 0.000 0.449 602 N N -0.198 118.410 118.700 -0.153 0.000 2.089 602 N HA -0.268 4.475 4.740 0.005 0.000 0.198 602 N C 1.785 177.111 175.510 -0.306 0.000 1.017 602 N CA 2.139 55.005 53.050 -0.306 0.000 0.880 602 N CB -0.443 37.885 38.487 -0.265 0.000 1.042 602 N HN 0.640 nan 8.380 nan 0.000 0.446 603 E N -0.324 119.765 120.200 -0.185 0.000 2.007 603 E HA -0.251 4.102 4.350 0.005 0.000 0.203 603 E C 1.897 178.442 176.600 -0.091 0.000 1.020 603 E CA 1.553 57.867 56.400 -0.145 0.000 0.845 603 E CB -0.374 29.252 29.700 -0.123 0.000 0.779 603 E HN 0.389 nan 8.360 nan 0.000 0.466 604 Y N 1.059 121.276 120.300 -0.139 0.000 1.997 604 Y HA -0.357 4.196 4.550 0.005 0.000 0.265 604 Y C 2.018 177.902 175.900 -0.027 0.000 1.193 604 Y CA 2.259 60.316 58.100 -0.071 0.000 1.106 604 Y CB -0.680 37.744 38.460 -0.060 0.000 0.940 604 Y HN 0.105 nan 8.280 nan 0.000 0.494 605 L N 0.709 122.129 121.223 0.328 0.000 1.943 605 L HA -0.334 4.008 4.340 0.005 0.000 0.215 605 L C 2.433 179.386 176.870 0.138 0.000 1.074 605 L CA 2.180 57.227 54.840 0.346 0.000 0.759 605 L CB -0.975 41.409 42.059 0.543 0.000 0.888 605 L HN 0.569 nan 8.230 nan 0.000 0.433 606 N N -0.677 117.817 118.700 -0.343 0.000 2.635 606 N HA -0.244 4.499 4.740 0.005 0.000 0.191 606 N C 1.566 177.045 175.510 -0.053 0.000 1.155 606 N CA 0.772 53.710 53.050 -0.187 0.000 0.927 606 N CB -0.116 38.114 38.487 -0.429 0.000 0.976 606 N HN 0.540 nan 8.380 nan 0.000 0.448 607 E N 1.292 121.437 120.200 -0.093 0.000 2.057 607 E HA -0.053 4.300 4.350 0.005 0.000 0.190 607 E C 1.868 178.410 176.600 -0.097 0.000 0.969 607 E CA 0.464 56.800 56.400 -0.108 0.000 0.812 607 E CB 0.085 29.685 29.700 -0.167 0.000 0.777 607 E HN 0.187 nan 8.360 nan 0.000 0.455 608 V N 0.903 120.729 119.914 -0.147 0.000 2.490 608 V HA -0.262 3.861 4.120 0.005 0.000 0.250 608 V C 2.309 178.432 176.094 0.048 0.000 1.061 608 V CA 1.572 63.808 62.300 -0.106 0.000 1.064 608 V CB -0.325 31.403 31.823 -0.159 0.000 0.670 608 V HN 0.459 nan 8.190 nan 0.000 0.461 609 C N -0.188 119.187 119.300 0.124 0.000 2.634 609 C HA 0.419 4.882 4.460 0.005 0.000 0.268 609 C C 1.752 176.803 174.990 0.102 0.000 1.322 609 C CA -0.082 59.029 59.018 0.156 0.000 1.737 609 C CB -1.043 26.849 27.740 0.252 0.000 1.976 609 C HN 0.757 nan 8.230 nan 0.000 0.547 610 G N 2.782 111.619 108.800 0.061 0.000 2.359 610 G HA2 -0.161 3.801 3.960 0.005 0.000 0.298 610 G HA3 -0.161 3.801 3.960 0.005 0.000 0.298 610 G C 0.020 174.949 174.900 0.049 0.000 1.030 610 G CA 0.624 45.743 45.100 0.031 0.000 1.149 610 G HN 0.652 nan 8.290 nan 0.000 0.512 611 T N -2.893 111.700 114.554 0.065 0.000 2.773 611 T HA 0.848 5.201 4.350 0.005 0.000 0.278 611 T C -0.942 173.778 174.700 0.032 0.000 1.011 611 T CA -0.923 61.223 62.100 0.077 0.000 1.014 611 T CB 2.943 71.909 68.868 0.164 0.000 1.293 611 T HN 0.117 nan 8.240 nan 0.000 0.554 612 E N -0.566 119.651 120.200 0.028 0.000 2.290 612 E HA 0.559 4.912 4.350 0.005 0.000 0.274 612 E C 0.495 177.084 176.600 -0.017 0.000 0.889 612 E CA -0.113 56.282 56.400 -0.009 0.000 0.760 612 E CB 1.359 31.052 29.700 -0.012 0.000 1.206 612 E HN 1.231 nan 8.360 nan 0.000 0.419 613 G N 2.667 111.434 108.800 -0.055 0.000 2.225 613 G HA2 -0.295 3.668 3.960 0.005 0.000 0.267 613 G HA3 -0.295 3.668 3.960 0.005 0.000 0.267 613 G C 0.146 175.014 174.900 -0.054 0.000 1.024 613 G CA 0.640 45.706 45.100 -0.057 0.000 0.784 613 G HN 0.275 nan 8.290 nan 0.000 0.507 614 E N 0.605 120.753 120.200 -0.087 0.000 2.105 614 E HA 0.620 4.972 4.350 0.005 0.000 0.285 614 E C 0.568 177.059 176.600 -0.181 0.000 1.055 614 E CA 0.282 56.668 56.400 -0.023 0.000 0.843 614 E CB 0.466 30.279 29.700 0.187 0.000 1.067 614 E HN 0.763 nan 8.360 nan 0.000 0.398 615 A N 5.642 128.467 122.820 0.008 0.000 2.376 615 A HA 0.267 4.590 4.320 0.005 0.000 0.298 615 A C 0.071 177.805 177.584 0.251 0.000 1.271 615 A CA -0.303 51.743 52.037 0.016 0.000 0.926 615 A CB -0.235 18.784 19.000 0.031 0.000 1.141 615 A HN 0.595 nan 8.150 nan 0.000 0.539 616 F N 2.312 122.255 119.950 -0.013 0.000 2.274 616 F HA 0.039 4.569 4.527 0.004 0.000 0.288 616 F C 1.312 177.088 175.800 -0.039 0.000 1.069 616 F CA -0.095 57.895 58.000 -0.016 0.000 1.343 616 F CB -0.856 38.132 39.000 -0.019 0.000 1.089 616 F HN 0.267 nan 8.300 nan 0.000 0.517 617 V N 4.231 124.232 119.914 0.145 0.000 2.416 617 V HA -0.103 4.020 4.120 0.005 0.000 0.267 617 V C 1.594 177.690 176.094 0.003 0.000 1.007 617 V CA 0.026 62.358 62.300 0.054 0.000 1.102 617 V CB -0.014 31.820 31.823 0.018 0.000 1.035 617 V HN 0.277 nan 8.190 nan 0.000 0.473 618 L N 5.452 126.638 121.223 -0.061 0.000 2.270 618 L HA 0.205 4.547 4.340 0.005 0.000 0.210 618 L C 0.181 176.856 176.870 -0.325 0.000 1.104 618 L CA 1.678 56.365 54.840 -0.255 0.000 0.804 618 L CB 0.120 41.904 42.059 -0.457 0.000 0.937 618 L HN 0.728 nan 8.230 nan 0.000 0.450 619 Y N -1.290 118.772 120.300 -0.397 0.000 2.638 619 Y HA 0.496 5.050 4.550 0.006 0.000 0.334 619 Y C -0.878 174.946 175.900 -0.127 0.000 1.182 619 Y CA -0.387 57.427 58.100 -0.476 0.000 1.102 619 Y CB 0.694 38.455 38.460 -1.166 0.000 1.343 619 Y HN -0.069 nan 8.280 nan 0.000 0.463 620 G N 2.530 110.892 108.800 -0.730 0.000 2.690 620 G HA2 0.519 4.481 3.960 0.005 0.000 0.293 620 G HA3 0.519 4.481 3.960 0.005 0.000 0.293 620 G C -2.451 171.968 174.900 -0.801 0.000 1.399 620 G CA -0.641 44.224 45.100 -0.390 0.000 0.890 620 G HN 0.600 nan 8.290 nan 0.000 0.485 621 D N -0.038 120.149 120.400 -0.355 0.000 2.452 621 D HA 0.370 5.013 4.640 0.005 0.000 0.226 621 D C 1.010 177.264 176.300 -0.077 0.000 1.366 621 D CA 0.494 54.304 54.000 -0.316 0.000 0.986 621 D CB 0.998 41.653 40.800 -0.241 0.000 1.420 621 D HN 0.481 nan 8.370 nan 0.000 0.583 622 T N 2.511 117.030 114.554 -0.057 0.000 12.053 622 T HA -0.302 4.051 4.350 0.005 0.000 0.419 622 T C 0.598 175.294 174.700 -0.006 0.000 1.444 622 T CA 2.233 64.321 62.100 -0.019 0.000 2.397 622 T CB -1.001 67.822 68.868 -0.074 0.000 2.865 622 T HN 0.656 nan 8.240 nan 0.000 0.878 623 D N 0.527 120.932 120.400 0.008 0.000 2.755 623 D HA 0.319 4.961 4.640 0.005 0.000 0.293 623 D C -0.206 176.143 176.300 0.081 0.000 1.642 623 D CA 0.455 54.472 54.000 0.029 0.000 0.825 623 D CB -0.292 40.479 40.800 -0.048 0.000 1.303 623 D HN 0.697 nan 8.370 nan 0.000 0.434 624 S N -0.211 115.553 115.700 0.106 0.000 2.627 624 S HA 0.877 5.349 4.470 0.005 0.000 0.283 624 S C -0.251 174.438 174.600 0.147 0.000 1.127 624 S CA -0.927 57.349 58.200 0.126 0.000 0.863 624 S CB 2.007 65.298 63.200 0.152 0.000 1.121 624 S HN 0.306 nan 8.310 nan 0.000 0.479 625 I N -1.271 119.339 120.570 0.067 0.000 3.074 625 I HA 0.658 4.831 4.170 0.005 0.000 0.310 625 I C -1.973 174.077 176.117 -0.112 0.000 1.153 625 I CA -1.329 60.040 61.300 0.115 0.000 0.993 625 I CB 1.784 39.828 38.000 0.074 0.000 1.237 625 I HN 0.620 nan 8.210 nan 0.000 0.443 626 Y N 2.263 122.590 120.300 0.045 0.000 2.329 626 Y HA 0.620 5.172 4.550 0.004 0.000 0.328 626 Y C -0.486 175.406 175.900 -0.013 0.000 0.992 626 Y CA -1.058 57.061 58.100 0.032 0.000 1.151 626 Y CB 2.106 40.526 38.460 -0.067 0.000 1.150 626 Y HN 0.274 nan 8.280 nan 0.000 0.450 627 V N 0.875 120.863 119.914 0.123 0.000 2.495 627 V HA 0.455 4.578 4.120 0.005 0.000 0.298 627 V C 0.180 176.297 176.094 0.038 0.000 1.031 627 V CA -1.058 61.288 62.300 0.076 0.000 0.871 627 V CB 1.811 33.673 31.823 0.065 0.000 0.988 627 V HN 0.744 nan 8.190 nan 0.000 0.432 628 S N 3.049 118.748 115.700 -0.002 0.000 2.416 628 S HA 0.418 4.891 4.470 0.005 0.000 0.302 628 S C 1.342 175.852 174.600 -0.150 0.000 1.120 628 S CA 0.055 58.243 58.200 -0.019 0.000 1.067 628 S CB 0.503 63.718 63.200 0.025 0.000 1.057 628 S HN 1.089 nan 8.310 nan 0.000 0.518 629 A N 4.750 127.519 122.820 -0.085 0.000 2.015 629 A HA -0.018 4.304 4.320 0.005 0.000 0.219 629 A C 1.617 179.103 177.584 -0.163 0.000 1.163 629 A CA 1.576 53.504 52.037 -0.182 0.000 0.646 629 A CB -0.715 18.200 19.000 -0.141 0.000 0.806 629 A HN 0.800 nan 8.150 nan 0.000 0.448 630 D N 0.268 120.666 120.400 -0.003 0.000 2.723 630 D HA -0.279 4.364 4.640 0.005 0.000 0.208 630 D C 1.731 177.994 176.300 -0.062 0.000 1.050 630 D CA 2.474 56.506 54.000 0.053 0.000 0.893 630 D CB -0.278 40.542 40.800 0.033 0.000 1.062 630 D HN 0.474 nan 8.370 nan 0.000 0.478 631 K N -0.125 120.178 120.400 -0.162 0.000 2.148 631 K HA 0.044 4.366 4.320 0.005 0.000 0.204 631 K C 2.224 178.744 176.600 -0.132 0.000 1.050 631 K CA 0.418 56.619 56.287 -0.143 0.000 0.942 631 K CB -0.182 32.219 32.500 -0.165 0.000 0.724 631 K HN 0.272 nan 8.250 nan 0.000 0.446 632 I N 0.425 120.865 120.570 -0.216 0.000 2.226 632 I HA -0.275 3.898 4.170 0.005 0.000 0.245 632 I C 1.781 177.866 176.117 -0.054 0.000 1.100 632 I CA 0.890 62.115 61.300 -0.125 0.000 1.374 632 I CB -0.091 37.758 38.000 -0.251 0.000 1.057 632 I HN 0.133 nan 8.210 nan 0.000 0.413 633 I N 0.792 121.251 120.570 -0.186 0.000 2.127 633 I HA -0.321 3.852 4.170 0.005 0.000 0.241 633 I C 2.145 178.246 176.117 -0.027 0.000 1.075 633 I CA 1.798 62.959 61.300 -0.231 0.000 1.334 633 I CB -1.356 36.216 38.000 -0.713 0.000 1.040 633 I HN 0.234 nan 8.210 nan 0.000 0.405 634 D N 0.589 120.972 120.400 -0.029 0.000 2.158 634 D HA -0.241 4.402 4.640 0.005 0.000 0.197 634 D C 2.094 178.438 176.300 0.073 0.000 0.995 634 D CA 1.274 55.294 54.000 0.033 0.000 0.846 634 D CB -0.189 40.626 40.800 0.024 0.000 0.941 634 D HN 0.212 nan 8.370 nan 0.000 0.456 635 K N 0.386 120.835 120.400 0.081 0.000 2.059 635 K HA -0.146 4.177 4.320 0.005 0.000 0.212 635 K C 1.392 178.070 176.600 0.129 0.000 1.050 635 K CA 1.275 57.626 56.287 0.106 0.000 0.927 635 K CB -0.205 32.376 32.500 0.134 0.000 0.714 635 K HN 0.061 nan 8.250 nan 0.000 0.447 636 V N 0.261 120.293 119.914 0.196 0.000 3.649 636 V HA 0.238 4.360 4.120 0.005 0.000 0.275 636 V C 0.615 176.823 176.094 0.190 0.000 1.281 636 V CA 0.220 62.637 62.300 0.196 0.000 1.143 636 V CB -0.797 31.218 31.823 0.321 0.000 0.892 636 V HN 0.627 nan 8.190 nan 0.000 0.441 637 G N 1.219 110.134 108.800 0.191 0.000 2.978 637 G HA2 -0.221 3.742 3.960 0.005 0.000 0.686 637 G HA3 -0.221 3.742 3.960 0.005 0.000 0.686 637 G C 0.338 175.423 174.900 0.309 0.000 1.288 637 G CA 0.157 45.359 45.100 0.171 0.000 1.026 637 G HN 0.434 nan 8.290 nan 0.000 0.587 638 E N 1.099 121.433 120.200 0.223 0.000 2.204 638 E HA -0.178 4.175 4.350 0.005 0.000 0.195 638 E C 2.796 179.580 176.600 0.307 0.000 0.990 638 E CA 1.396 57.958 56.400 0.270 0.000 0.821 638 E CB -0.122 29.660 29.700 0.137 0.000 0.750 638 E HN 0.726 nan 8.360 nan 0.000 0.477 639 S N 1.818 117.614 115.700 0.159 0.000 2.369 639 S HA -0.236 4.237 4.470 0.005 0.000 0.225 639 S C 1.768 176.363 174.600 -0.008 0.000 1.043 639 S CA 1.138 59.381 58.200 0.071 0.000 1.074 639 S CB -0.314 62.904 63.200 0.030 0.000 0.962 639 S HN 0.041 nan 8.310 nan 0.000 0.433 640 K N 1.534 121.852 120.400 -0.136 0.000 2.074 640 K HA 0.064 4.387 4.320 0.005 0.000 0.209 640 K C 0.321 176.576 176.600 -0.576 0.000 1.048 640 K CA 0.680 56.734 56.287 -0.388 0.000 0.926 640 K CB -1.136 30.986 32.500 -0.630 0.000 0.713 640 K HN 0.502 nan 8.250 nan 0.000 0.444 641 F N 1.671 121.430 119.950 -0.317 0.000 2.519 641 F HA 0.078 4.608 4.527 0.005 0.000 0.375 641 F C 0.650 176.225 175.800 -0.375 0.000 1.084 641 F CA -0.021 57.612 58.000 -0.611 0.000 1.147 641 F CB 0.116 39.052 39.000 -0.107 0.000 1.088 641 F HN -0.225 nan 8.300 nan 0.000 0.555 642 R N 2.987 123.276 120.500 -0.352 0.000 3.256 642 R HA 0.309 4.652 4.340 0.005 0.000 0.263 642 R C -1.261 175.133 176.300 0.157 0.000 1.388 642 R CA -0.490 55.628 56.100 0.031 0.000 1.580 642 R CB 0.141 30.498 30.300 0.094 0.000 1.255 642 R HN 0.604 nan 8.270 nan 0.000 0.640 643 D N -0.810 119.661 120.400 0.118 0.000 3.225 643 D HA -0.135 4.508 4.640 0.005 0.000 0.153 643 D C 0.682 176.948 176.300 -0.058 0.000 0.892 643 D CA 0.094 54.118 54.000 0.040 0.000 1.290 643 D CB 0.323 41.161 40.800 0.063 0.000 5.245 643 D HN 0.188 nan 8.370 nan 0.000 0.615 644 T N 2.104 116.485 114.554 -0.288 0.000 2.720 644 T HA -0.205 4.148 4.350 0.005 0.000 0.268 644 T C 1.555 175.515 174.700 -1.233 0.000 1.037 644 T CA 2.399 63.986 62.100 -0.856 0.000 1.144 644 T CB -0.129 68.219 68.868 -0.866 0.000 0.864 644 T HN 0.346 nan 8.240 nan 0.000 0.444 645 N N 0.191 118.432 118.700 -0.765 0.000 2.149 645 N HA -0.130 4.613 4.740 0.005 0.000 0.188 645 N C 1.592 176.912 175.510 -0.317 0.000 1.019 645 N CA 1.938 54.632 53.050 -0.594 0.000 0.857 645 N CB -0.738 37.533 38.487 -0.360 0.000 0.997 645 N HN 0.789 nan 8.380 nan 0.000 0.426 646 H N -1.095 117.844 119.070 -0.217 0.000 2.261 646 H HA -0.234 4.324 4.556 0.005 0.000 0.290 646 H C 2.027 177.466 175.328 0.186 0.000 1.081 646 H CA 3.012 59.079 56.048 0.032 0.000 1.196 646 H CB -0.588 29.273 29.762 0.164 0.000 1.350 646 H HN 0.464 nan 8.280 nan 0.000 0.498 647 W N 0.976 122.571 121.300 0.492 0.000 2.342 647 W HA -0.151 4.512 4.660 0.004 0.000 0.297 647 W C 1.950 178.593 176.519 0.207 0.000 1.213 647 W CA 1.093 58.655 57.345 0.361 0.000 1.251 647 W CB -1.250 27.985 29.460 -0.375 0.000 1.136 647 W HN 0.078 nan 8.180 nan 0.000 0.526 648 V N 2.882 122.603 119.914 -0.322 0.000 2.277 648 V HA -0.427 3.696 4.120 0.005 0.000 0.253 648 V C 2.425 178.590 176.094 0.119 0.000 1.067 648 V CA 2.632 64.854 62.300 -0.131 0.000 1.047 648 V CB -1.132 30.434 31.823 -0.429 0.000 0.649 648 V HN 0.270 nan 8.190 nan 0.000 0.447 649 D N -0.757 119.703 120.400 0.100 0.000 2.149 649 D HA -0.202 4.440 4.640 0.005 0.000 0.198 649 D C 2.022 178.497 176.300 0.292 0.000 0.990 649 D CA 1.535 55.618 54.000 0.139 0.000 0.839 649 D CB -0.253 40.596 40.800 0.082 0.000 0.948 649 D HN 0.465 nan 8.370 nan 0.000 0.460 650 F N 2.510 122.587 119.950 0.212 0.000 2.025 650 F HA -0.219 4.311 4.527 0.005 0.000 0.297 650 F C 2.294 178.267 175.800 0.288 0.000 1.132 650 F CA 1.199 59.371 58.000 0.286 0.000 1.191 650 F CB -0.990 38.277 39.000 0.445 0.000 0.963 650 F HN -0.144 nan 8.300 nan 0.000 0.481 651 L N 0.055 121.305 121.223 0.045 0.000 2.013 651 L HA -0.278 4.065 4.340 0.005 0.000 0.212 651 L C 2.410 179.325 176.870 0.076 0.000 1.073 651 L CA 1.870 56.624 54.840 -0.143 0.000 0.753 651 L CB -1.164 40.858 42.059 -0.062 0.000 0.890 651 L HN 0.193 nan 8.230 nan 0.000 0.432 652 D N 0.449 120.928 120.400 0.131 0.000 2.127 652 D HA -0.220 4.423 4.640 0.005 0.000 0.190 652 D C 2.084 178.487 176.300 0.172 0.000 1.000 652 D CA 1.529 55.603 54.000 0.123 0.000 0.839 652 D CB 0.054 40.915 40.800 0.103 0.000 0.955 652 D HN 0.035 nan 8.370 nan 0.000 0.446 653 K N -0.262 120.271 120.400 0.222 0.000 2.147 653 K HA -0.123 4.199 4.320 0.005 0.000 0.205 653 K C 2.106 178.856 176.600 0.249 0.000 1.049 653 K CA 0.350 56.765 56.287 0.214 0.000 0.936 653 K CB -0.912 31.724 32.500 0.227 0.000 0.722 653 K HN 0.285 nan 8.250 nan 0.000 0.446 654 F N 1.881 121.904 119.950 0.121 0.000 2.051 654 F HA -0.136 4.394 4.527 0.004 0.000 0.296 654 F C 2.208 178.056 175.800 0.080 0.000 1.122 654 F CA 1.118 59.169 58.000 0.084 0.000 1.201 654 F CB -0.870 38.088 39.000 -0.070 0.000 0.978 654 F HN 0.022 nan 8.300 nan 0.000 0.472 655 A N 0.913 124.026 122.820 0.488 0.000 1.859 655 A HA -0.278 4.044 4.320 0.005 0.000 0.217 655 A C 2.507 180.264 177.584 0.289 0.000 1.198 655 A CA 2.127 54.383 52.037 0.365 0.000 0.629 655 A CB -1.104 18.029 19.000 0.222 0.000 0.830 655 A HN 0.457 nan 8.150 nan 0.000 0.446 656 R N -0.412 120.213 120.500 0.208 0.000 2.193 656 R HA -0.129 4.214 4.340 0.005 0.000 0.229 656 R C 1.588 177.963 176.300 0.126 0.000 1.110 656 R CA 1.831 58.020 56.100 0.148 0.000 0.988 656 R CB -0.116 30.250 30.300 0.110 0.000 0.871 656 R HN 0.741 nan 8.270 nan 0.000 0.458 657 E N -1.474 118.802 120.200 0.128 0.000 2.332 657 E HA 0.085 4.438 4.350 0.005 0.000 0.202 657 E C 1.981 178.613 176.600 0.053 0.000 0.877 657 E CA -0.182 56.262 56.400 0.074 0.000 0.979 657 E CB 0.450 30.177 29.700 0.046 0.000 0.969 657 E HN 0.159 nan 8.360 nan 0.000 0.495 658 R N -0.024 120.505 120.500 0.048 0.000 2.074 658 R HA 0.140 4.483 4.340 0.005 0.000 0.218 658 R C 2.087 178.450 176.300 0.105 0.000 1.137 658 R CA 0.509 56.636 56.100 0.045 0.000 0.998 658 R CB -0.097 30.053 30.300 -0.251 0.000 0.895 658 R HN 0.061 nan 8.270 nan 0.000 0.442 659 M N 1.367 121.095 119.600 0.214 0.000 2.697 659 M HA -0.176 4.306 4.480 0.005 0.000 0.276 659 M C 1.894 178.162 176.300 -0.053 0.000 1.078 659 M CA 1.742 57.061 55.300 0.031 0.000 1.079 659 M CB -0.400 32.315 32.600 0.191 0.000 1.207 659 M HN -0.041 nan 8.290 nan 0.000 0.506 660 E N -0.361 119.887 120.200 0.080 0.000 2.196 660 E HA -0.272 4.081 4.350 0.005 0.000 0.222 660 E C -0.074 176.550 176.600 0.039 0.000 1.072 660 E CA 2.531 58.986 56.400 0.091 0.000 0.902 660 E CB -2.448 27.338 29.700 0.143 0.000 0.780 660 E HN 0.449 nan 8.360 nan 0.000 0.467 661 P HA -0.155 nan 4.420 nan 0.000 0.214 661 P C 1.400 178.697 177.300 -0.005 0.000 1.163 661 P CA 2.352 65.472 63.100 0.034 0.000 0.889 661 P CB -0.208 31.519 31.700 0.045 0.000 0.790 662 A N -1.244 121.524 122.820 -0.087 0.000 1.940 662 A HA -0.210 4.113 4.320 0.005 0.000 0.219 662 A C 2.056 179.539 177.584 -0.168 0.000 1.176 662 A CA 1.666 53.611 52.037 -0.154 0.000 0.631 662 A CB -1.673 17.022 19.000 -0.509 0.000 0.814 662 A HN 0.066 nan 8.150 nan 0.000 0.446 663 I N 0.422 120.867 120.570 -0.209 0.000 2.058 663 I HA -0.273 3.899 4.170 0.005 0.000 0.235 663 I C 2.354 178.397 176.117 -0.122 0.000 1.053 663 I CA 2.106 63.243 61.300 -0.270 0.000 1.313 663 I CB -0.547 37.300 38.000 -0.255 0.000 1.039 663 I HN 0.507 nan 8.210 nan 0.000 0.396 664 D N 0.906 121.360 120.400 0.090 0.000 2.126 664 D HA -0.277 4.366 4.640 0.005 0.000 0.190 664 D C 2.313 178.718 176.300 0.175 0.000 1.001 664 D CA 1.845 56.022 54.000 0.295 0.000 0.841 664 D CB -0.056 40.916 40.800 0.285 0.000 0.949 664 D HN 0.285 nan 8.370 nan 0.000 0.446 665 R N -0.204 120.344 120.500 0.080 0.000 2.113 665 R HA -0.152 4.191 4.340 0.005 0.000 0.244 665 R C 2.608 178.961 176.300 0.090 0.000 1.142 665 R CA 1.480 57.613 56.100 0.055 0.000 0.953 665 R CB -0.687 29.640 30.300 0.044 0.000 0.860 665 R HN 0.288 nan 8.270 nan 0.000 0.438 666 G N -0.324 108.515 108.800 0.066 0.000 2.484 666 G HA2 -0.178 3.785 3.960 0.005 0.000 0.218 666 G HA3 -0.178 3.785 3.960 0.005 0.000 0.218 666 G C 1.012 176.138 174.900 0.376 0.000 1.130 666 G CA 0.067 45.239 45.100 0.120 0.000 0.784 666 G HN 0.136 nan 8.290 nan 0.000 0.543 667 F N 1.009 121.157 119.950 0.331 0.000 2.335 667 F HA 0.259 4.792 4.527 0.009 0.000 0.296 667 F C 2.672 178.683 175.800 0.352 0.000 1.091 667 F CA 0.004 58.248 58.000 0.406 0.000 1.399 667 F CB -0.231 39.037 39.000 0.447 0.000 1.067 667 F HN 0.030 nan 8.300 nan 0.000 0.520 668 R N 0.151 120.855 120.500 0.339 0.000 2.091 668 R HA -0.203 4.140 4.340 0.005 0.000 0.238 668 R C 2.085 178.486 176.300 0.168 0.000 1.136 668 R CA 1.629 57.753 56.100 0.041 0.000 0.959 668 R CB -0.578 29.653 30.300 -0.115 0.000 0.856 668 R HN 0.321 nan 8.270 nan 0.000 0.437 669 E N 0.649 120.991 120.200 0.237 0.000 2.097 669 E HA -0.255 4.098 4.350 0.005 0.000 0.196 669 E C 2.021 178.760 176.600 0.233 0.000 1.000 669 E CA 1.428 57.984 56.400 0.260 0.000 0.804 669 E CB -0.008 29.920 29.700 0.379 0.000 0.740 669 E HN 0.238 nan 8.360 nan 0.000 0.454 670 M N 0.365 120.084 119.600 0.198 0.000 2.064 670 M HA -0.187 4.296 4.480 0.005 0.000 0.260 670 M C 2.721 178.985 176.300 -0.059 0.000 1.073 670 M CA 1.924 57.056 55.300 -0.279 0.000 1.124 670 M CB -0.487 31.728 32.600 -0.641 0.000 1.326 670 M HN 0.428 nan 8.290 nan 0.000 0.410 671 C N 1.009 120.362 119.300 0.088 0.000 2.396 671 C HA -0.217 4.245 4.460 0.005 0.000 0.277 671 C C 2.395 177.444 174.990 0.097 0.000 1.231 671 C CA 2.130 61.222 59.018 0.122 0.000 1.775 671 C CB -1.196 26.676 27.740 0.219 0.000 2.036 671 C HN 0.761 nan 8.230 nan 0.000 0.484 672 E N -0.279 119.984 120.200 0.106 0.000 2.031 672 E HA -0.208 4.145 4.350 0.005 0.000 0.193 672 E C 2.096 178.769 176.600 0.123 0.000 0.994 672 E CA 1.802 58.260 56.400 0.096 0.000 0.800 672 E CB -0.980 28.774 29.700 0.090 0.000 0.752 672 E HN 0.745 nan 8.360 nan 0.000 0.447 673 Y N 0.194 120.461 120.300 -0.055 0.000 2.181 673 Y HA -0.200 4.354 4.550 0.008 0.000 0.284 673 Y C 1.802 177.644 175.900 -0.096 0.000 1.179 673 Y CA 1.494 59.541 58.100 -0.087 0.000 1.179 673 Y CB -0.249 38.103 38.460 -0.180 0.000 0.973 673 Y HN 0.145 nan 8.280 nan 0.000 0.519 674 M N -0.214 119.392 119.600 0.010 0.000 2.556 674 M HA 0.017 4.500 4.480 0.005 0.000 0.245 674 M C 0.592 176.899 176.300 0.013 0.000 1.128 674 M CA 0.524 55.782 55.300 -0.071 0.000 1.069 674 M CB -1.544 31.001 32.600 -0.091 0.000 1.469 674 M HN 0.301 nan 8.290 nan 0.000 0.494 675 N N 2.596 121.323 118.700 0.045 0.000 2.696 675 N HA -0.169 4.574 4.740 0.005 0.000 0.256 675 N C -1.079 174.474 175.510 0.072 0.000 1.031 675 N CA 0.224 53.305 53.050 0.052 0.000 0.730 675 N CB -0.874 37.634 38.487 0.034 0.000 0.894 675 N HN 0.281 nan 8.380 nan 0.000 0.544 676 N N 0.788 119.533 118.700 0.075 0.000 2.515 676 N HA 0.128 4.871 4.740 0.005 0.000 0.279 676 N C 1.269 176.811 175.510 0.054 0.000 1.164 676 N CA -0.389 52.705 53.050 0.073 0.000 0.982 676 N CB 0.965 39.494 38.487 0.071 0.000 1.170 676 N HN 0.343 nan 8.380 nan 0.000 0.474 677 K N 0.252 120.673 120.400 0.035 0.000 2.059 677 K HA -0.201 4.122 4.320 0.005 0.000 0.212 677 K C 0.385 176.999 176.600 0.023 0.000 1.050 677 K CA 1.724 58.027 56.287 0.027 0.000 0.927 677 K CB 0.234 32.737 32.500 0.005 0.000 0.714 677 K HN 0.690 nan 8.250 nan 0.000 0.447 678 Q N -3.663 116.139 119.800 0.002 0.000 2.893 678 Q HA 0.131 4.474 4.340 0.005 0.000 0.331 678 Q C 0.166 176.187 176.000 0.034 0.000 0.893 678 Q CA -0.865 54.955 55.803 0.028 0.000 0.783 678 Q CB 0.571 29.315 28.738 0.010 0.000 1.440 678 Q HN 0.117 nan 8.270 nan 0.000 0.508 679 H N 0.384 119.436 119.070 -0.029 0.000 2.553 679 H HA 0.207 4.766 4.556 0.006 0.000 0.265 679 H C 0.941 176.071 175.328 -0.331 0.000 0.964 679 H CA 0.110 56.112 56.048 -0.076 0.000 1.156 679 H CB 0.329 30.128 29.762 0.061 0.000 1.411 679 H HN 0.579 nan 8.280 nan 0.000 0.558 680 L N 0.775 121.632 121.223 -0.610 0.000 3.528 680 L HA -0.226 4.116 4.340 0.005 0.000 0.253 680 L C -0.070 175.965 176.870 -1.391 0.000 1.325 680 L CA 0.398 54.651 54.840 -0.979 0.000 0.796 680 L CB -1.040 40.698 42.059 -0.535 0.000 1.087 680 L HN 0.264 nan 8.230 nan 0.000 0.484 681 M N 0.711 119.344 119.600 -1.611 0.000 2.495 681 M HA 0.341 4.824 4.480 0.005 0.000 0.346 681 M C -0.671 175.191 176.300 -0.730 0.000 1.251 681 M CA -0.398 54.222 55.300 -1.133 0.000 1.249 681 M CB -0.180 31.706 32.600 -1.191 0.000 1.229 681 M HN -0.129 nan 8.290 nan 0.000 0.450 682 F N 3.043 122.967 119.950 -0.043 0.000 2.375 682 F HA 0.596 5.127 4.527 0.006 0.000 0.361 682 F C 0.120 176.022 175.800 0.171 0.000 1.117 682 F CA -0.977 57.093 58.000 0.117 0.000 1.037 682 F CB 0.991 40.040 39.000 0.082 0.000 1.192 682 F HN 0.398 nan 8.300 nan 0.000 0.452 683 M N 4.998 124.864 119.600 0.444 0.000 2.190 683 M HA 0.423 4.905 4.480 0.005 0.000 0.312 683 M C -1.903 174.615 176.300 0.364 0.000 0.990 683 M CA -0.514 55.008 55.300 0.370 0.000 0.927 683 M CB 1.528 34.377 32.600 0.416 0.000 1.571 683 M HN 0.708 nan 8.290 nan 0.000 0.427 684 D N 3.325 123.913 120.400 0.313 0.000 2.457 684 D HA 0.374 5.017 4.640 0.005 0.000 0.240 684 D C -0.560 175.811 176.300 0.118 0.000 1.041 684 D CA -0.848 53.312 54.000 0.267 0.000 0.861 684 D CB 1.209 42.095 40.800 0.144 0.000 1.394 684 D HN 0.559 nan 8.370 nan 0.000 0.473 685 R N 0.433 120.841 120.500 -0.152 0.000 2.697 685 R HA -0.049 4.293 4.340 0.005 0.000 0.265 685 R C 0.143 176.179 176.300 -0.440 0.000 1.009 685 R CA 0.627 56.148 56.100 -0.965 0.000 1.099 685 R CB 0.477 30.328 30.300 -0.748 0.000 0.965 685 R HN 0.969 nan 8.270 nan 0.000 0.428 686 E N 2.247 122.175 120.200 -0.453 0.000 2.603 686 E HA 0.256 4.609 4.350 0.005 0.000 0.218 686 E C -1.068 175.445 176.600 -0.144 0.000 0.878 686 E CA -0.049 56.227 56.400 -0.207 0.000 1.348 686 E CB 0.715 30.343 29.700 -0.119 0.000 1.318 686 E HN 0.587 nan 8.360 nan 0.000 0.673 687 A N 0.876 123.590 122.820 -0.176 0.000 2.574 687 A HA 0.717 5.039 4.320 0.005 0.000 0.297 687 A C -1.492 176.082 177.584 -0.017 0.000 1.062 687 A CA -0.756 51.253 52.037 -0.046 0.000 0.686 687 A CB 1.163 20.170 19.000 0.012 0.000 1.285 687 A HN 0.211 nan 8.150 nan 0.000 0.403 688 I N 0.837 121.464 120.570 0.096 0.000 2.533 688 I HA 0.713 4.885 4.170 0.005 0.000 0.290 688 I C 0.098 176.396 176.117 0.302 0.000 1.056 688 I CA -0.536 60.874 61.300 0.183 0.000 1.057 688 I CB 2.179 40.306 38.000 0.212 0.000 1.240 688 I HN 0.899 nan 8.210 nan 0.000 0.423 689 A N 4.018 127.036 122.820 0.329 0.000 2.549 689 A HA 1.020 5.343 4.320 0.005 0.000 0.297 689 A C -0.556 177.274 177.584 0.410 0.000 1.061 689 A CA -0.354 51.883 52.037 0.333 0.000 0.690 689 A CB 2.085 21.189 19.000 0.173 0.000 1.287 689 A HN 1.016 nan 8.150 nan 0.000 0.402 690 G N 0.311 109.381 108.800 0.449 0.000 2.328 690 G HA2 0.589 4.552 3.960 0.005 0.000 0.295 690 G HA3 0.589 4.552 3.960 0.005 0.000 0.295 690 G C -3.526 171.691 174.900 0.528 0.000 1.413 690 G CA -0.472 44.870 45.100 0.403 0.000 0.817 690 G HN 0.656 nan 8.290 nan 0.000 0.546 691 P HA 0.273 nan 4.420 nan 0.000 0.271 691 P C -2.190 175.493 177.300 0.639 0.000 1.226 691 P CA -1.000 62.296 63.100 0.326 0.000 0.765 691 P CB 1.318 33.067 31.700 0.081 0.000 0.835 692 P HA -0.140 nan 4.420 nan 0.000 0.226 692 P C 0.462 177.992 177.300 0.383 0.000 1.139 692 P CA 0.882 64.280 63.100 0.497 0.000 0.777 692 P CB -0.205 31.734 31.700 0.398 0.000 0.757 693 L N -2.923 118.613 121.223 0.522 0.000 2.263 693 L HA -0.173 4.170 4.340 0.005 0.000 0.574 693 L C 0.942 177.969 176.870 0.261 0.000 1.000 693 L CA 0.415 55.535 54.840 0.467 0.000 1.256 693 L CB -1.369 40.998 42.059 0.513 0.000 1.933 693 L HN 0.507 nan 8.230 nan 0.000 0.985 694 G N 2.566 111.491 108.800 0.207 0.000 2.320 694 G HA2 -0.311 3.652 3.960 0.005 0.000 0.242 694 G HA3 -0.311 3.652 3.960 0.005 0.000 0.242 694 G C 0.273 175.249 174.900 0.126 0.000 1.033 694 G CA 0.702 45.888 45.100 0.143 0.000 0.620 694 G HN 1.916 nan 8.290 nan 0.000 0.517 695 S N 0.492 116.285 115.700 0.154 0.000 2.531 695 S HA 0.529 5.002 4.470 0.005 0.000 0.279 695 S C 0.627 175.286 174.600 0.097 0.000 1.305 695 S CA 0.243 58.522 58.200 0.132 0.000 1.058 695 S CB 1.636 64.940 63.200 0.173 0.000 0.899 695 S HN 0.449 nan 8.310 nan 0.000 0.493 696 K N 1.914 122.354 120.400 0.068 0.000 2.589 696 K HA 0.133 4.456 4.320 0.005 0.000 0.204 696 K C 1.011 177.625 176.600 0.023 0.000 1.029 696 K CA -0.073 56.236 56.287 0.037 0.000 1.177 696 K CB -0.266 32.251 32.500 0.028 0.000 0.902 696 K HN 0.774 nan 8.250 nan 0.000 0.501 697 G N 1.166 109.992 108.800 0.042 0.000 2.476 697 G HA2 0.156 4.119 3.960 0.005 0.000 0.269 697 G HA3 0.156 4.119 3.960 0.005 0.000 0.269 697 G C 0.843 175.743 174.900 -0.001 0.000 1.195 697 G CA -0.641 44.477 45.100 0.030 0.000 0.843 697 G HN 0.267 nan 8.290 nan 0.000 0.545 698 I N -0.056 120.504 120.570 -0.016 0.000 3.793 698 I HA 0.219 4.392 4.170 0.005 0.000 0.315 698 I C 1.499 177.605 176.117 -0.018 0.000 1.275 698 I CA 0.811 62.088 61.300 -0.038 0.000 1.214 698 I CB -0.665 37.313 38.000 -0.038 0.000 1.018 698 I HN 0.832 nan 8.210 nan 0.000 0.439 699 G N 1.469 110.281 108.800 0.020 0.000 2.480 699 G HA2 -0.231 3.731 3.960 0.005 0.000 0.246 699 G HA3 -0.231 3.731 3.960 0.005 0.000 0.246 699 G C 0.580 175.539 174.900 0.098 0.000 1.073 699 G CA 0.299 45.431 45.100 0.054 0.000 0.643 699 G HN 1.330 nan 8.290 nan 0.000 0.525 700 G N -1.265 107.626 108.800 0.152 0.000 2.361 700 G HA2 0.734 4.697 3.960 0.005 0.000 0.299 700 G HA3 0.734 4.697 3.960 0.005 0.000 0.299 700 G C -0.936 174.175 174.900 0.352 0.000 1.544 700 G CA 0.012 45.231 45.100 0.199 0.000 0.860 700 G HN 1.806 nan 8.290 nan 0.000 0.610 701 F N -1.806 118.140 119.950 -0.006 0.000 2.668 701 F HA 0.919 5.450 4.527 0.005 0.000 0.309 701 F C -2.118 173.583 175.800 -0.165 0.000 1.117 701 F CA -2.420 55.642 58.000 0.103 0.000 0.951 701 F CB 0.995 39.985 39.000 -0.016 0.000 1.323 701 F HN 0.548 nan 8.300 nan 0.000 0.451 702 W N 0.600 121.875 121.300 -0.042 0.000 2.781 702 W HA 0.707 5.369 4.660 0.004 0.000 0.345 702 W C 0.312 176.795 176.519 -0.060 0.000 1.085 702 W CA -0.722 56.501 57.345 -0.203 0.000 1.198 702 W CB 2.261 31.604 29.460 -0.195 0.000 1.423 702 W HN 0.670 nan 8.180 nan 0.000 0.532 703 T N 0.115 114.708 114.554 0.065 0.000 2.964 703 T HA 0.476 4.829 4.350 0.005 0.000 0.250 703 T C 0.201 174.965 174.700 0.106 0.000 0.982 703 T CA 0.707 62.866 62.100 0.098 0.000 0.959 703 T CB 0.549 69.436 68.868 0.032 0.000 1.141 703 T HN 0.691 nan 8.240 nan 0.000 0.494 704 G N 0.967 109.830 108.800 0.105 0.000 2.324 704 G HA2 0.375 4.338 3.960 0.005 0.000 0.293 704 G HA3 0.375 4.338 3.960 0.005 0.000 0.293 704 G C -1.995 172.966 174.900 0.101 0.000 1.297 704 G CA -1.184 43.972 45.100 0.094 0.000 0.853 704 G HN 0.085 nan 8.290 nan 0.000 0.535 705 K N 0.769 121.238 120.400 0.114 0.000 2.511 705 K HA 0.291 4.614 4.320 0.005 0.000 0.280 705 K C 0.762 177.458 176.600 0.160 0.000 1.008 705 K CA 0.881 57.282 56.287 0.191 0.000 1.050 705 K CB 0.208 32.793 32.500 0.143 0.000 0.889 705 K HN 0.670 nan 8.250 nan 0.000 0.484 706 K N 0.391 120.940 120.400 0.248 0.000 3.363 706 K HA -0.309 4.014 4.320 0.005 0.000 0.313 706 K C -0.178 176.418 176.600 -0.007 0.000 1.259 706 K CA 1.231 57.633 56.287 0.191 0.000 0.942 706 K CB -0.819 31.758 32.500 0.129 0.000 1.229 706 K HN 0.460 nan 8.250 nan 0.000 0.440 707 R N 0.801 121.286 120.500 -0.025 0.000 2.505 707 R HA 0.249 4.592 4.340 0.005 0.000 0.284 707 R C -1.067 175.031 176.300 -0.338 0.000 1.324 707 R CA -0.609 55.387 56.100 -0.172 0.000 1.432 707 R CB 0.392 30.651 30.300 -0.069 0.000 1.107 707 R HN 0.248 nan 8.270 nan 0.000 0.587 708 Y N -1.165 118.669 120.300 -0.778 0.000 2.655 708 Y HA 0.855 5.408 4.550 0.004 0.000 0.336 708 Y C -1.664 173.554 175.900 -1.137 0.000 1.154 708 Y CA -1.440 55.854 58.100 -1.342 0.000 1.055 708 Y CB 1.392 38.359 38.460 -2.487 0.000 1.295 708 Y HN 0.197 nan 8.280 nan 0.000 0.465 709 A N 2.155 124.345 122.820 -1.050 0.000 2.547 709 A HA 0.849 5.172 4.320 0.005 0.000 0.297 709 A C -2.242 175.110 177.584 -0.385 0.000 1.056 709 A CA -0.625 51.008 52.037 -0.674 0.000 0.688 709 A CB 1.483 20.113 19.000 -0.617 0.000 1.282 709 A HN 1.435 nan 8.150 nan 0.000 0.400 710 L N -1.064 120.055 121.223 -0.173 0.000 2.710 710 L HA 0.624 4.967 4.340 0.005 0.000 0.260 710 L C -0.803 176.035 176.870 -0.054 0.000 0.993 710 L CA -1.007 53.804 54.840 -0.047 0.000 0.877 710 L CB 1.130 43.213 42.059 0.040 0.000 1.461 710 L HN 0.418 nan 8.230 nan 0.000 0.413 711 N N 0.411 119.081 118.700 -0.049 0.000 2.663 711 N HA 0.465 5.208 4.740 0.005 0.000 0.250 711 N C -0.885 174.470 175.510 -0.258 0.000 1.129 711 N CA -0.039 52.904 53.050 -0.178 0.000 0.995 711 N CB 0.250 38.642 38.487 -0.158 0.000 1.324 711 N HN 0.568 nan 8.380 nan 0.000 0.512 712 V N 2.653 122.426 119.914 -0.234 0.000 2.583 712 V HA 0.161 4.284 4.120 0.005 0.000 0.287 712 V C 0.759 176.767 176.094 -0.144 0.000 1.051 712 V CA -0.136 62.108 62.300 -0.094 0.000 1.010 712 V CB 1.184 33.040 31.823 0.056 0.000 0.988 712 V HN 0.689 nan 8.190 nan 0.000 0.478 713 W N 0.076 121.529 121.300 0.255 0.000 2.952 713 W HA 0.260 4.922 4.660 0.004 0.000 0.251 713 W C 0.585 177.212 176.519 0.180 0.000 1.144 713 W CA -0.071 57.420 57.345 0.245 0.000 1.551 713 W CB 0.600 30.129 29.460 0.116 0.000 0.978 713 W HN 0.498 nan 8.180 nan 0.000 0.648 714 D N 0.488 121.078 120.400 0.318 0.000 2.649 714 D HA 0.233 4.876 4.640 0.005 0.000 0.249 714 D C -1.087 175.228 176.300 0.024 0.000 1.112 714 D CA -0.459 53.570 54.000 0.048 0.000 0.850 714 D CB 1.826 42.653 40.800 0.044 0.000 1.399 714 D HN -0.200 nan 8.370 nan 0.000 0.503 715 M N 3.722 123.254 119.600 -0.113 0.000 2.741 715 M HA 0.270 4.752 4.480 0.005 0.000 0.283 715 M C -0.776 175.489 176.300 -0.059 0.000 1.176 715 M CA -0.226 55.062 55.300 -0.020 0.000 1.139 715 M CB -0.694 31.947 32.600 0.069 0.000 1.234 715 M HN 0.556 nan 8.290 nan 0.000 0.497 716 E N 2.259 122.424 120.200 -0.058 0.000 2.807 716 E HA -0.140 4.213 4.350 0.005 0.000 0.169 716 E C 0.906 177.468 176.600 -0.063 0.000 1.548 716 E CA 0.792 57.156 56.400 -0.061 0.000 0.697 716 E CB -1.014 28.659 29.700 -0.045 0.000 1.106 716 E HN 1.172 nan 8.360 nan 0.000 0.382 717 G N 1.807 110.571 108.800 -0.061 0.000 3.639 717 G HA2 -0.477 3.486 3.960 0.005 0.000 0.224 717 G HA3 -0.477 3.486 3.960 0.005 0.000 0.224 717 G C 0.512 175.354 174.900 -0.097 0.000 1.339 717 G CA 1.016 46.081 45.100 -0.058 0.000 0.933 717 G HN 1.393 nan 8.290 nan 0.000 0.568 718 T N 1.271 115.744 114.554 -0.134 0.000 2.734 718 T HA 0.440 4.793 4.350 0.005 0.000 0.269 718 T C 0.669 175.139 174.700 -0.384 0.000 0.964 718 T CA 0.676 62.649 62.100 -0.212 0.000 1.226 718 T CB 0.671 69.418 68.868 -0.202 0.000 0.910 718 T HN 0.716 nan 8.240 nan 0.000 0.534 719 R N 2.744 123.093 120.500 -0.252 0.000 2.738 719 R HA 0.358 4.701 4.340 0.005 0.000 0.268 719 R C -1.026 175.116 176.300 -0.263 0.000 1.062 719 R CA -0.404 55.577 56.100 -0.199 0.000 1.158 719 R CB 0.033 30.293 30.300 -0.066 0.000 1.046 719 R HN 0.711 nan 8.270 nan 0.000 0.493 720 Y N 1.334 121.738 120.300 0.174 0.000 2.409 720 Y HA 0.415 4.968 4.550 0.004 0.000 0.339 720 Y C 1.061 177.089 175.900 0.214 0.000 1.033 720 Y CA -0.362 57.852 58.100 0.190 0.000 1.094 720 Y CB 1.741 40.320 38.460 0.199 0.000 1.210 720 Y HN 0.795 nan 8.280 nan 0.000 0.456 721 A N 2.759 125.811 122.820 0.387 0.000 1.844 721 A HA -0.129 4.194 4.320 0.005 0.000 0.214 721 A C 0.299 178.067 177.584 0.306 0.000 1.217 721 A CA 1.683 53.870 52.037 0.249 0.000 0.644 721 A CB -0.505 18.605 19.000 0.184 0.000 0.850 721 A HN 0.762 nan 8.150 nan 0.000 0.456 722 E N -0.716 119.637 120.200 0.256 0.000 2.299 722 E HA 0.601 4.954 4.350 0.005 0.000 0.260 722 E C -2.788 173.860 176.600 0.080 0.000 0.944 722 E CA -2.745 53.812 56.400 0.262 0.000 0.815 722 E CB -0.380 29.401 29.700 0.134 0.000 1.252 722 E HN 0.163 nan 8.360 nan 0.000 0.418 723 P HA 0.129 nan 4.420 nan 0.000 0.271 723 P C -1.025 176.005 177.300 -0.450 0.000 1.238 723 P CA -0.302 62.396 63.100 -0.670 0.000 0.794 723 P CB 0.370 31.508 31.700 -0.936 0.000 0.959 724 K N 0.689 120.780 120.400 -0.515 0.000 2.565 724 K HA 0.393 4.716 4.320 0.005 0.000 0.249 724 K C -0.873 175.544 176.600 -0.305 0.000 0.958 724 K CA -0.477 55.548 56.287 -0.436 0.000 0.806 724 K CB 1.303 33.403 32.500 -0.667 0.000 1.194 724 K HN 0.329 nan 8.250 nan 0.000 0.434 725 L N 3.205 124.295 121.223 -0.222 0.000 2.361 725 L HA 0.244 4.587 4.340 0.005 0.000 0.278 725 L C 0.231 177.012 176.870 -0.148 0.000 1.113 725 L CA -0.021 54.718 54.840 -0.168 0.000 0.849 725 L CB 0.428 42.407 42.059 -0.133 0.000 1.155 725 L HN 0.425 nan 8.230 nan 0.000 0.452 726 K N 3.937 124.257 120.400 -0.134 0.000 2.347 726 K HA 0.397 4.720 4.320 0.005 0.000 0.262 726 K C -0.814 175.643 176.600 -0.239 0.000 1.052 726 K CA -0.759 55.446 56.287 -0.136 0.000 0.946 726 K CB 0.773 33.245 32.500 -0.047 0.000 1.220 726 K HN 0.332 nan 8.250 nan 0.000 0.450 727 I N 3.446 123.853 120.570 -0.272 0.000 2.488 727 I HA 0.328 4.501 4.170 0.005 0.000 0.299 727 I C -0.050 175.773 176.117 -0.490 0.000 0.984 727 I CA -0.331 60.744 61.300 -0.375 0.000 1.250 727 I CB 1.478 39.322 38.000 -0.260 0.000 1.389 727 I HN 0.509 nan 8.210 nan 0.000 0.488 728 M N 4.368 123.559 119.600 -0.682 0.000 2.098 728 M HA 0.289 4.772 4.480 0.005 0.000 0.265 728 M C 0.359 176.351 176.300 -0.513 0.000 0.940 728 M CA -0.335 54.528 55.300 -0.729 0.000 1.007 728 M CB 1.017 32.762 32.600 -1.424 0.000 1.823 728 M HN 0.793 nan 8.290 nan 0.000 0.453 729 G N 3.107 111.729 108.800 -0.296 0.000 2.179 729 G HA2 -0.223 3.740 3.960 0.005 0.000 0.257 729 G HA3 -0.223 3.740 3.960 0.005 0.000 0.257 729 G C 0.190 175.005 174.900 -0.142 0.000 1.010 729 G CA 0.157 45.152 45.100 -0.176 0.000 0.736 729 G HN 0.668 nan 8.290 nan 0.000 0.513 730 L N 0.485 121.606 121.223 -0.169 0.000 2.851 730 L HA 0.205 4.547 4.340 0.005 0.000 0.237 730 L C 1.712 178.615 176.870 0.055 0.000 1.257 730 L CA 0.470 55.265 54.840 -0.075 0.000 1.061 730 L CB -0.499 41.421 42.059 -0.231 0.000 1.372 730 L HN 0.581 nan 8.230 nan 0.000 0.493 731 E N -1.744 118.468 120.200 0.020 0.000 3.313 731 E HA -0.390 3.963 4.350 0.005 0.000 0.283 731 E C 1.070 177.692 176.600 0.037 0.000 0.941 731 E CA 1.554 57.975 56.400 0.034 0.000 0.907 731 E CB -2.013 27.715 29.700 0.046 0.000 1.458 731 E HN 0.687 nan 8.360 nan 0.000 0.463 732 T N -2.360 112.210 114.554 0.027 0.000 2.915 732 T HA -0.132 4.221 4.350 0.005 0.000 0.269 732 T C 1.743 176.440 174.700 -0.005 0.000 1.071 732 T CA 1.670 63.785 62.100 0.025 0.000 1.132 732 T CB -0.018 68.847 68.868 -0.005 0.000 0.878 732 T HN 0.338 nan 8.240 nan 0.000 0.479 733 Q N 1.228 121.014 119.800 -0.024 0.000 2.063 733 Q HA 0.263 4.605 4.340 0.005 0.000 0.194 733 Q C 0.645 176.631 176.000 -0.024 0.000 0.974 733 Q CA 0.421 56.205 55.803 -0.032 0.000 0.827 733 Q CB -0.262 28.452 28.738 -0.041 0.000 0.902 733 Q HN 0.422 nan 8.270 nan 0.000 0.462 734 K N 2.118 122.512 120.400 -0.010 0.000 2.327 734 K HA -0.151 4.172 4.320 0.005 0.000 0.254 734 K C 0.733 177.330 176.600 -0.005 0.000 1.251 734 K CA 0.134 56.421 56.287 0.001 0.000 1.261 734 K CB -0.163 32.346 32.500 0.014 0.000 0.766 734 K HN 0.195 nan 8.250 nan 0.000 0.510 735 S N 2.105 117.796 115.700 -0.015 0.000 2.425 735 S HA -0.343 4.130 4.470 0.005 0.000 0.256 735 S C 1.991 176.585 174.600 -0.011 0.000 1.101 735 S CA 2.168 60.350 58.200 -0.031 0.000 1.188 735 S CB -0.423 62.767 63.200 -0.017 0.000 1.085 735 S HN 0.829 nan 8.310 nan 0.000 0.439 736 S N 1.535 117.241 115.700 0.011 0.000 2.393 736 S HA -0.212 4.260 4.470 0.005 0.000 0.234 736 S C 1.249 175.866 174.600 0.028 0.000 1.064 736 S CA 1.527 59.741 58.200 0.023 0.000 1.088 736 S CB -1.857 61.365 63.200 0.037 0.000 0.939 736 S HN 0.820 nan 8.310 nan 0.000 0.448 737 T N 1.556 116.127 114.554 0.028 0.000 2.928 737 T HA 0.381 4.734 4.350 0.005 0.000 0.305 737 T C -2.759 171.970 174.700 0.049 0.000 1.035 737 T CA -1.679 60.448 62.100 0.045 0.000 1.145 737 T CB 0.188 69.085 68.868 0.048 0.000 0.963 737 T HN 0.069 nan 8.240 nan 0.000 0.545 738 P HA 0.140 nan 4.420 nan 0.000 0.269 738 P C 0.799 178.138 177.300 0.064 0.000 1.209 738 P CA -0.582 62.558 63.100 0.068 0.000 0.776 738 P CB 0.627 32.387 31.700 0.100 0.000 0.876 739 K N 2.323 122.740 120.400 0.028 0.000 2.020 739 K HA -0.217 4.106 4.320 0.005 0.000 0.212 739 K C 1.965 178.591 176.600 0.043 0.000 1.050 739 K CA 2.022 58.315 56.287 0.011 0.000 0.929 739 K CB -1.020 31.466 32.500 -0.023 0.000 0.714 739 K HN 0.441 nan 8.250 nan 0.000 0.443 740 A N 1.370 124.215 122.820 0.040 0.000 1.986 740 A HA -0.142 4.181 4.320 0.005 0.000 0.220 740 A C 2.464 180.154 177.584 0.177 0.000 1.171 740 A CA 1.602 53.666 52.037 0.045 0.000 0.640 740 A CB -0.702 18.291 19.000 -0.012 0.000 0.811 740 A HN 0.127 nan 8.150 nan 0.000 0.451 741 V N -0.316 119.743 119.914 0.241 0.000 2.283 741 V HA -0.274 3.848 4.120 0.005 0.000 0.243 741 V C 2.621 178.883 176.094 0.281 0.000 1.039 741 V CA 2.154 64.659 62.300 0.342 0.000 1.016 741 V CB -0.776 31.218 31.823 0.283 0.000 0.650 741 V HN 0.691 nan 8.190 nan 0.000 0.449 742 Q N 0.043 119.947 119.800 0.173 0.000 1.998 742 Q HA -0.339 4.004 4.340 0.005 0.000 0.209 742 Q C 2.329 178.414 176.000 0.142 0.000 1.002 742 Q CA 2.285 58.164 55.803 0.127 0.000 0.858 742 Q CB -0.446 28.328 28.738 0.061 0.000 0.932 742 Q HN 0.482 nan 8.270 nan 0.000 0.416 743 K N 0.201 120.673 120.400 0.122 0.000 2.228 743 K HA -0.251 4.071 4.320 0.005 0.000 0.205 743 K C 1.873 178.591 176.600 0.196 0.000 1.045 743 K CA 1.160 57.519 56.287 0.121 0.000 0.931 743 K CB -0.114 32.436 32.500 0.084 0.000 0.727 743 K HN 0.274 nan 8.250 nan 0.000 0.458 744 A N 0.990 123.981 122.820 0.285 0.000 1.826 744 A HA -0.087 4.236 4.320 0.005 0.000 0.214 744 A C 2.026 179.766 177.584 0.260 0.000 1.212 744 A CA 1.033 53.312 52.037 0.403 0.000 0.605 744 A CB -0.798 18.590 19.000 0.645 0.000 0.861 744 A HN 0.250 nan 8.150 nan 0.000 0.447 745 L N -0.179 121.221 121.223 0.295 0.000 1.991 745 L HA -0.344 3.999 4.340 0.005 0.000 0.221 745 L C 2.645 179.586 176.870 0.118 0.000 1.079 745 L CA 2.393 57.339 54.840 0.178 0.000 0.778 745 L CB -0.520 41.632 42.059 0.155 0.000 0.893 745 L HN 0.516 nan 8.230 nan 0.000 0.437 746 K N -0.513 119.956 120.400 0.115 0.000 2.127 746 K HA -0.304 4.019 4.320 0.005 0.000 0.212 746 K C 2.159 178.799 176.600 0.067 0.000 1.050 746 K CA 2.020 58.350 56.287 0.071 0.000 0.929 746 K CB -0.113 32.422 32.500 0.059 0.000 0.715 746 K HN 0.281 nan 8.250 nan 0.000 0.457 747 E N 0.203 120.462 120.200 0.098 0.000 2.072 747 E HA -0.161 4.192 4.350 0.005 0.000 0.191 747 E C 2.148 178.764 176.600 0.027 0.000 0.985 747 E CA 1.308 57.777 56.400 0.115 0.000 0.801 747 E CB -0.209 29.665 29.700 0.289 0.000 0.750 747 E HN 0.479 nan 8.360 nan 0.000 0.452 748 C N 0.373 119.621 119.300 -0.087 0.000 2.413 748 C HA -0.147 4.316 4.460 0.005 0.000 0.276 748 C C 2.696 177.664 174.990 -0.037 0.000 1.248 748 C CA 0.463 59.406 59.018 -0.125 0.000 1.742 748 C CB -1.242 26.407 27.740 -0.152 0.000 2.017 748 C HN 0.372 nan 8.230 nan 0.000 0.481 749 I N 0.799 121.372 120.570 0.004 0.000 2.226 749 I HA -0.204 3.969 4.170 0.005 0.000 0.245 749 I C 2.824 178.943 176.117 0.004 0.000 1.100 749 I CA 1.554 62.858 61.300 0.006 0.000 1.374 749 I CB -0.668 37.350 38.000 0.030 0.000 1.057 749 I HN 0.283 nan 8.210 nan 0.000 0.413 750 R N 1.233 121.742 120.500 0.015 0.000 2.083 750 R HA -0.176 4.167 4.340 0.005 0.000 0.237 750 R C 2.503 178.821 176.300 0.030 0.000 1.137 750 R CA 1.558 57.668 56.100 0.016 0.000 0.951 750 R CB -0.147 30.174 30.300 0.035 0.000 0.851 750 R HN 0.305 nan 8.270 nan 0.000 0.434 751 R N -0.013 120.515 120.500 0.048 0.000 2.091 751 R HA -0.137 4.206 4.340 0.005 0.000 0.238 751 R C 2.409 178.725 176.300 0.026 0.000 1.136 751 R CA 1.925 58.061 56.100 0.061 0.000 0.959 751 R CB -0.393 29.958 30.300 0.086 0.000 0.856 751 R HN 0.360 nan 8.270 nan 0.000 0.437 752 M N 0.621 120.212 119.600 -0.015 0.000 2.066 752 M HA -0.181 4.302 4.480 0.005 0.000 0.259 752 M C 2.473 178.756 176.300 -0.029 0.000 1.074 752 M CA 1.839 57.104 55.300 -0.058 0.000 1.114 752 M CB -0.578 31.930 32.600 -0.154 0.000 1.306 752 M HN 0.088 nan 8.290 nan 0.000 0.411 753 L N -0.450 120.769 121.223 -0.007 0.000 2.042 753 L HA -0.250 4.092 4.340 0.005 0.000 0.210 753 L C 2.487 179.379 176.870 0.038 0.000 1.076 753 L CA 1.547 56.401 54.840 0.023 0.000 0.749 753 L CB -0.721 41.353 42.059 0.025 0.000 0.893 753 L HN 0.457 nan 8.230 nan 0.000 0.432 754 Q N -0.801 119.023 119.800 0.041 0.000 2.200 754 Q HA -0.067 4.275 4.340 0.005 0.000 0.197 754 Q C 1.986 178.039 176.000 0.088 0.000 0.953 754 Q CA 0.833 56.682 55.803 0.077 0.000 0.851 754 Q CB 0.267 29.043 28.738 0.065 0.000 0.938 754 Q HN 0.483 nan 8.270 nan 0.000 0.488 755 E N -0.487 119.753 120.200 0.068 0.000 2.132 755 E HA 0.234 4.587 4.350 0.005 0.000 0.193 755 E C 0.388 177.020 176.600 0.053 0.000 0.951 755 E CA 0.455 56.897 56.400 0.069 0.000 0.843 755 E CB 0.839 30.585 29.700 0.077 0.000 0.807 755 E HN 0.261 nan 8.360 nan 0.000 0.467 756 G N 0.708 109.528 108.800 0.033 0.000 2.357 756 G HA2 -0.177 3.785 3.960 0.005 0.000 0.643 756 G HA3 -0.177 3.785 3.960 0.005 0.000 0.643 756 G C -0.126 174.783 174.900 0.014 0.000 1.358 756 G CA -0.190 44.920 45.100 0.017 0.000 0.986 756 G HN 0.086 nan 8.290 nan 0.000 0.620 757 E N -0.362 119.837 120.200 -0.001 0.000 2.110 757 E HA -0.132 4.221 4.350 0.005 0.000 0.193 757 E C 2.068 178.685 176.600 0.028 0.000 0.988 757 E CA 1.930 58.328 56.400 -0.003 0.000 0.804 757 E CB 0.020 29.705 29.700 -0.025 0.000 0.745 757 E HN 0.528 nan 8.360 nan 0.000 0.458 758 E N 0.244 120.465 120.200 0.035 0.000 2.023 758 E HA -0.198 4.154 4.350 0.005 0.000 0.196 758 E C 2.054 178.703 176.600 0.082 0.000 1.003 758 E CA 1.391 57.823 56.400 0.053 0.000 0.809 758 E CB -0.510 29.218 29.700 0.047 0.000 0.755 758 E HN 0.060 nan 8.360 nan 0.000 0.449 759 S N -0.122 115.627 115.700 0.082 0.000 2.368 759 S HA -0.221 4.252 4.470 0.005 0.000 0.226 759 S C 1.896 176.590 174.600 0.156 0.000 1.044 759 S CA 1.578 59.844 58.200 0.111 0.000 1.062 759 S CB -0.435 62.824 63.200 0.097 0.000 0.931 759 S HN 0.325 nan 8.310 nan 0.000 0.440 760 L N 1.071 122.366 121.223 0.120 0.000 1.976 760 L HA -0.175 4.167 4.340 0.005 0.000 0.209 760 L C 2.708 179.694 176.870 0.193 0.000 1.071 760 L CA 1.916 56.832 54.840 0.128 0.000 0.746 760 L CB -0.693 41.389 42.059 0.038 0.000 0.890 760 L HN 0.420 nan 8.230 nan 0.000 0.432 761 Q N -0.149 119.742 119.800 0.152 0.000 2.082 761 Q HA -0.336 4.006 4.340 0.005 0.000 0.211 761 Q C 1.949 178.114 176.000 0.274 0.000 1.002 761 Q CA 2.661 58.582 55.803 0.196 0.000 0.868 761 Q CB -0.378 28.434 28.738 0.123 0.000 0.931 761 Q HN 0.782 nan 8.270 nan 0.000 0.414 762 E N -0.276 120.054 120.200 0.216 0.000 2.047 762 E HA -0.242 4.110 4.350 0.005 0.000 0.191 762 E C 1.931 178.693 176.600 0.269 0.000 0.987 762 E CA 1.243 57.764 56.400 0.202 0.000 0.799 762 E CB -0.718 29.064 29.700 0.136 0.000 0.752 762 E HN 0.349 nan 8.360 nan 0.000 0.449 763 Y N 1.075 121.467 120.300 0.154 0.000 2.165 763 Y HA -0.248 4.305 4.550 0.005 0.000 0.286 763 Y C 1.955 177.983 175.900 0.214 0.000 1.155 763 Y CA 1.234 59.433 58.100 0.164 0.000 1.164 763 Y CB -0.809 37.751 38.460 0.167 0.000 0.978 763 Y HN 0.194 nan 8.280 nan 0.000 0.513 764 F N 1.318 121.478 119.950 0.351 0.000 2.087 764 F HA -0.249 4.281 4.527 0.005 0.000 0.299 764 F C 2.210 178.140 175.800 0.217 0.000 1.100 764 F CA 2.404 60.539 58.000 0.226 0.000 1.226 764 F CB -0.595 38.492 39.000 0.146 0.000 0.983 764 F HN -0.039 nan 8.300 nan 0.000 0.479 765 K N 0.802 121.239 120.400 0.060 0.000 2.148 765 K HA -0.122 4.201 4.320 0.005 0.000 0.204 765 K C 1.965 178.542 176.600 -0.038 0.000 1.050 765 K CA 1.036 57.260 56.287 -0.105 0.000 0.942 765 K CB -0.456 32.062 32.500 0.030 0.000 0.724 765 K HN 0.242 nan 8.250 nan 0.000 0.446 766 E N 0.121 120.369 120.200 0.080 0.000 1.983 766 E HA -0.180 4.172 4.350 0.005 0.000 0.208 766 E C 0.288 176.969 176.600 0.134 0.000 1.006 766 E CA 0.713 57.150 56.400 0.062 0.000 0.872 766 E CB -0.711 28.973 29.700 -0.027 0.000 0.806 766 E HN 0.191 nan 8.360 nan 0.000 0.510 767 F N 1.298 121.275 119.950 0.046 0.000 2.533 767 F HA 0.188 4.717 4.527 0.004 0.000 0.378 767 F C 0.922 176.658 175.800 -0.107 0.000 1.070 767 F CA 0.740 58.761 58.000 0.036 0.000 1.172 767 F CB 0.149 39.276 39.000 0.211 0.000 1.085 767 F HN 0.283 nan 8.300 nan 0.000 0.552 768 E N 3.764 124.213 120.200 0.415 0.000 1.495 768 E HA -0.130 4.223 4.350 0.005 0.000 0.233 768 E C 1.006 177.682 176.600 0.126 0.000 1.058 768 E CA 0.784 57.214 56.400 0.050 0.000 1.401 768 E CB -0.791 28.747 29.700 -0.270 0.000 4.354 768 E HN 0.394 nan 8.360 nan 0.000 0.798 769 K N 1.362 121.803 120.400 0.068 0.000 1.980 769 K HA -0.135 4.188 4.320 0.005 0.000 0.208 769 K C 1.835 178.471 176.600 0.060 0.000 1.043 769 K CA 1.829 58.140 56.287 0.040 0.000 0.938 769 K CB -0.380 32.123 32.500 0.004 0.000 0.724 769 K HN 0.402 nan 8.250 nan 0.000 0.438 770 E N -0.093 120.128 120.200 0.035 0.000 2.463 770 E HA -0.187 4.165 4.350 0.005 0.000 0.201 770 E C 1.808 178.387 176.600 -0.035 0.000 1.045 770 E CA 0.458 56.837 56.400 -0.036 0.000 0.872 770 E CB -0.550 29.086 29.700 -0.107 0.000 0.797 770 E HN 0.330 nan 8.360 nan 0.000 0.538 771 F N 2.549 122.460 119.950 -0.065 0.000 2.095 771 F HA -0.118 4.412 4.527 0.004 0.000 0.298 771 F C 2.047 177.914 175.800 0.112 0.000 1.104 771 F CA 1.664 59.665 58.000 0.001 0.000 1.232 771 F CB -0.036 39.107 39.000 0.237 0.000 0.987 771 F HN -0.106 nan 8.300 nan 0.000 0.475 772 R N -0.345 120.178 120.500 0.038 0.000 2.285 772 R HA -0.102 4.240 4.340 0.005 0.000 0.213 772 R C 1.263 177.495 176.300 -0.113 0.000 1.068 772 R CA 0.977 57.012 56.100 -0.108 0.000 1.004 772 R CB -0.334 29.778 30.300 -0.314 0.000 0.873 772 R HN 0.398 nan 8.270 nan 0.000 0.467 773 Q N -0.033 119.700 119.800 -0.110 0.000 2.282 773 Q HA 0.210 4.553 4.340 0.005 0.000 0.206 773 Q C -0.152 175.776 176.000 -0.119 0.000 0.878 773 Q CA 0.018 55.761 55.803 -0.100 0.000 0.944 773 Q CB 0.627 29.311 28.738 -0.089 0.000 1.100 773 Q HN 0.163 nan 8.270 nan 0.000 0.509 774 L N 1.386 122.504 121.223 -0.174 0.000 2.436 774 L HA 0.120 4.463 4.340 0.005 0.000 0.265 774 L C 0.589 177.362 176.870 -0.161 0.000 1.168 774 L CA -0.461 54.259 54.840 -0.199 0.000 0.815 774 L CB 0.461 42.351 42.059 -0.282 0.000 1.109 774 L HN 0.226 nan 8.230 nan 0.000 0.462 775 N N 1.523 120.125 118.700 -0.165 0.000 2.475 775 N HA -0.103 4.639 4.740 0.005 0.000 0.267 775 N C 0.899 176.287 175.510 -0.203 0.000 1.169 775 N CA -0.027 52.912 53.050 -0.185 0.000 0.947 775 N CB 0.783 39.121 38.487 -0.249 0.000 1.061 775 N HN 0.584 nan 8.380 nan 0.000 0.466 776 Y N 4.552 124.780 120.300 -0.121 0.000 2.062 776 Y HA -0.290 4.262 4.550 0.004 0.000 0.273 776 Y C 1.990 177.814 175.900 -0.126 0.000 1.206 776 Y CA 1.392 59.413 58.100 -0.131 0.000 1.125 776 Y CB -0.704 37.700 38.460 -0.092 0.000 0.951 776 Y HN 0.533 nan 8.280 nan 0.000 0.501 777 I N 1.254 121.537 120.570 -0.479 0.000 2.151 777 I HA -0.359 3.814 4.170 0.005 0.000 0.243 777 I C 2.675 178.670 176.117 -0.202 0.000 1.080 777 I CA 2.254 63.359 61.300 -0.324 0.000 1.339 777 I CB -0.780 36.957 38.000 -0.438 0.000 1.039 777 I HN 0.582 nan 8.210 nan 0.000 0.409 778 S N 1.049 116.639 115.700 -0.183 0.000 2.469 778 S HA -0.141 4.332 4.470 0.005 0.000 0.238 778 S C 1.733 176.305 174.600 -0.047 0.000 0.998 778 S CA 1.131 59.266 58.200 -0.108 0.000 0.957 778 S CB -0.749 62.382 63.200 -0.116 0.000 0.764 778 S HN 0.731 nan 8.310 nan 0.000 0.514 779 I N -1.788 118.752 120.570 -0.050 0.000 4.057 779 I HA 0.543 4.716 4.170 0.005 0.000 0.334 779 I C 0.871 177.013 176.117 0.042 0.000 1.308 779 I CA -0.536 60.779 61.300 0.025 0.000 1.125 779 I CB -0.148 37.807 38.000 -0.076 0.000 1.034 779 I HN 0.231 nan 8.210 nan 0.000 0.401 780 A N 1.278 124.093 122.820 -0.009 0.000 2.386 780 A HA 0.469 4.792 4.320 0.005 0.000 0.246 780 A C 0.204 177.799 177.584 0.020 0.000 1.089 780 A CA 0.009 52.034 52.037 -0.020 0.000 0.790 780 A CB 0.432 19.301 19.000 -0.218 0.000 1.042 780 A HN 0.366 nan 8.150 nan 0.000 0.497 781 S N -0.133 115.590 115.700 0.039 0.000 2.456 781 S HA 0.465 4.938 4.470 0.005 0.000 0.316 781 S C -0.494 174.134 174.600 0.046 0.000 1.089 781 S CA -0.507 57.723 58.200 0.050 0.000 1.101 781 S CB 0.713 63.945 63.200 0.054 0.000 0.995 781 S HN 0.999 nan 8.310 nan 0.000 0.468 782 V N 4.698 124.638 119.914 0.045 0.000 2.904 782 V HA 0.910 5.033 4.120 0.005 0.000 0.305 782 V C -0.322 175.767 176.094 -0.009 0.000 1.067 782 V CA 0.479 62.778 62.300 -0.002 0.000 1.044 782 V CB 1.705 33.511 31.823 -0.027 0.000 1.050 782 V HN 1.124 nan 8.190 nan 0.000 0.475 783 S N 3.204 118.889 115.700 -0.025 0.000 2.606 783 S HA 0.354 4.827 4.470 0.005 0.000 0.290 783 S C -0.881 173.733 174.600 0.025 0.000 1.103 783 S CA -0.652 57.570 58.200 0.036 0.000 0.870 783 S CB 1.022 64.286 63.200 0.107 0.000 1.077 783 S HN 0.819 nan 8.310 nan 0.000 0.448 784 S N 1.657 117.384 115.700 0.045 0.000 2.564 784 S HA 0.605 5.077 4.470 0.005 0.000 0.278 784 S C 0.478 175.097 174.600 0.031 0.000 1.333 784 S CA 0.007 58.217 58.200 0.018 0.000 1.048 784 S CB 0.850 64.064 63.200 0.023 0.000 0.900 784 S HN 1.367 nan 8.310 nan 0.000 0.505 785 A N 3.567 126.383 122.820 -0.008 0.000 2.774 785 A HA 0.298 4.621 4.320 0.005 0.000 0.326 785 A C 0.288 177.863 177.584 -0.015 0.000 1.478 785 A CA -0.770 51.264 52.037 -0.005 0.000 1.099 785 A CB -0.345 18.634 19.000 -0.035 0.000 1.148 785 A HN 0.732 nan 8.150 nan 0.000 0.519 786 N N 2.138 120.841 118.700 0.006 0.000 3.167 786 N HA -0.063 4.680 4.740 0.005 0.000 0.318 786 N C 0.623 176.145 175.510 0.020 0.000 1.268 786 N CA 0.168 53.227 53.050 0.014 0.000 1.197 786 N CB -0.313 38.179 38.487 0.008 0.000 1.464 786 N HN 0.780 nan 8.380 nan 0.000 0.555 787 N N 0.285 118.989 118.700 0.006 0.000 2.550 787 N HA -0.223 4.520 4.740 0.005 0.000 0.243 787 N C 0.598 176.133 175.510 0.041 0.000 1.238 787 N CA 0.707 53.764 53.050 0.013 0.000 0.756 787 N CB -0.681 37.814 38.487 0.013 0.000 1.165 787 N HN 0.589 nan 8.380 nan 0.000 0.570 788 I N -4.130 116.485 120.570 0.075 0.000 3.686 788 I HA 0.179 4.352 4.170 0.005 0.000 0.308 788 I C 1.829 177.952 176.117 0.011 0.000 1.254 788 I CA 0.446 61.862 61.300 0.194 0.000 1.175 788 I CB -0.452 37.783 38.000 0.391 0.000 1.009 788 I HN 0.153 nan 8.210 nan 0.000 0.459 789 A N 2.070 124.854 122.820 -0.059 0.000 1.978 789 A HA -0.182 4.141 4.320 0.005 0.000 0.220 789 A C 2.404 179.907 177.584 -0.134 0.000 1.170 789 A CA 1.457 53.413 52.037 -0.135 0.000 0.636 789 A CB -0.330 18.634 19.000 -0.059 0.000 0.810 789 A HN 0.476 nan 8.150 nan 0.000 0.448 790 K N -0.973 119.404 120.400 -0.037 0.000 1.987 790 K HA -0.248 4.074 4.320 0.005 0.000 0.216 790 K C 1.943 178.551 176.600 0.014 0.000 1.051 790 K CA 1.978 58.273 56.287 0.013 0.000 0.942 790 K CB -0.713 31.825 32.500 0.064 0.000 0.722 790 K HN 0.748 nan 8.250 nan 0.000 0.444 791 Y N 1.419 121.731 120.300 0.021 0.000 2.348 791 Y HA -0.240 4.312 4.550 0.005 0.000 0.285 791 Y C 1.264 177.182 175.900 0.030 0.000 1.173 791 Y CA 1.480 59.592 58.100 0.020 0.000 1.263 791 Y CB -0.418 38.047 38.460 0.008 0.000 0.974 791 Y HN 0.077 nan 8.280 nan 0.000 0.547 792 D N -0.201 119.913 120.400 -0.477 0.000 2.389 792 D HA 0.090 4.733 4.640 0.005 0.000 0.206 792 D C 0.137 176.378 176.300 -0.099 0.000 1.055 792 D CA 0.262 54.058 54.000 -0.339 0.000 0.856 792 D CB 0.281 40.747 40.800 -0.557 0.000 0.957 792 D HN 0.191 nan 8.370 nan 0.000 0.509 793 V N 1.688 121.567 119.914 -0.058 0.000 2.278 793 V HA 0.137 4.259 4.120 0.005 0.000 0.235 793 V C 1.439 177.567 176.094 0.058 0.000 1.281 793 V CA 0.320 62.627 62.300 0.012 0.000 1.351 793 V CB -0.154 31.682 31.823 0.022 0.000 1.411 793 V HN 0.076 nan 8.190 nan 0.000 0.491 794 G N 1.833 110.683 108.800 0.083 0.000 4.084 794 G HA2 0.485 4.448 3.960 0.005 0.000 0.293 794 G HA3 0.485 4.448 3.960 0.005 0.000 0.293 794 G C 1.084 176.080 174.900 0.159 0.000 1.303 794 G CA 0.403 45.562 45.100 0.099 0.000 1.289 794 G HN 1.023 nan 8.290 nan 0.000 0.609 795 G N 0.302 109.212 108.800 0.183 0.000 4.754 795 G HA2 -0.355 3.608 3.960 0.005 0.000 0.222 795 G HA3 -0.355 3.608 3.960 0.005 0.000 0.222 795 G C 0.434 175.604 174.900 0.450 0.000 1.377 795 G CA 0.650 45.943 45.100 0.321 0.000 0.942 795 G HN 0.364 nan 8.290 nan 0.000 0.671 796 F N 3.101 123.061 119.950 0.016 0.000 2.590 796 F HA 0.627 5.157 4.527 0.004 0.000 0.379 796 F C -0.643 175.163 175.800 0.010 0.000 1.154 796 F CA -1.358 56.653 58.000 0.018 0.000 1.136 796 F CB -0.278 38.734 39.000 0.020 0.000 1.601 796 F HN 0.160 nan 8.300 nan 0.000 0.504 797 P HA 0.267 nan 4.420 nan 0.000 0.262 797 P C -0.660 176.701 177.300 0.102 0.000 1.339 797 P CA 0.542 63.706 63.100 0.106 0.000 0.706 797 P CB 0.160 31.920 31.700 0.101 0.000 1.424 798 G N -0.896 107.964 108.800 0.100 0.000 2.897 798 G HA2 0.096 4.059 3.960 0.005 0.000 0.392 798 G HA3 0.096 4.059 3.960 0.005 0.000 0.392 798 G C -3.173 171.793 174.900 0.111 0.000 1.263 798 G CA -0.831 44.328 45.100 0.099 0.000 1.185 798 G HN 0.189 nan 8.290 nan 0.000 0.573 799 P HA -0.042 nan 4.420 nan 0.000 0.273 799 P C 0.796 178.165 177.300 0.116 0.000 1.177 799 P CA 1.346 64.505 63.100 0.097 0.000 0.765 799 P CB 0.306 32.050 31.700 0.072 0.000 0.780 800 K N -0.906 119.558 120.400 0.107 0.000 3.467 800 K HA -0.192 4.131 4.320 0.005 0.000 0.309 800 K C -0.721 175.989 176.600 0.182 0.000 1.350 800 K CA 0.849 57.199 56.287 0.105 0.000 0.934 800 K CB -1.928 30.615 32.500 0.072 0.000 1.312 800 K HN 0.673 nan 8.250 nan 0.000 0.461 801 C N 0.114 119.528 119.300 0.191 0.000 2.341 801 C HA 0.837 5.300 4.460 0.005 0.000 0.338 801 C C -1.751 173.344 174.990 0.175 0.000 1.257 801 C CA -1.653 57.489 59.018 0.207 0.000 1.883 801 C CB 0.734 28.545 27.740 0.119 0.000 2.334 801 C HN 0.198 nan 8.230 nan 0.000 0.524 802 P HA 0.322 nan 4.420 nan 0.000 0.281 802 P C 0.679 178.247 177.300 0.447 0.000 1.281 802 P CA -0.612 62.635 63.100 0.244 0.000 0.811 802 P CB 0.409 32.102 31.700 -0.011 0.000 1.154 803 F N 0.852 121.033 119.950 0.386 0.000 2.025 803 F HA -0.275 4.254 4.527 0.004 0.000 0.297 803 F C 2.208 178.110 175.800 0.170 0.000 1.132 803 F CA 2.114 60.221 58.000 0.178 0.000 1.191 803 F CB -1.428 37.558 39.000 -0.023 0.000 0.963 803 F HN 0.371 nan 8.300 nan 0.000 0.481 804 H N 0.211 119.376 119.070 0.158 0.000 2.486 804 H HA -0.284 4.275 4.556 0.005 0.000 0.278 804 H C 2.275 177.586 175.328 -0.028 0.000 1.080 804 H CA 2.343 58.407 56.048 0.025 0.000 1.188 804 H CB -1.606 28.189 29.762 0.055 0.000 1.512 804 H HN 0.344 nan 8.280 nan 0.000 0.686 805 I N 0.198 120.877 120.570 0.183 0.000 2.502 805 I HA -0.266 3.907 4.170 0.005 0.000 0.258 805 I C 2.606 178.728 176.117 0.008 0.000 1.172 805 I CA 1.512 62.831 61.300 0.032 0.000 1.430 805 I CB -0.384 37.583 38.000 -0.055 0.000 1.086 805 I HN 0.104 nan 8.210 nan 0.000 0.440 806 R N 1.806 122.335 120.500 0.048 0.000 2.070 806 R HA -0.094 4.248 4.340 0.005 0.000 0.233 806 R C 2.368 178.648 176.300 -0.033 0.000 1.137 806 R CA 1.867 57.981 56.100 0.024 0.000 0.945 806 R CB -1.167 29.181 30.300 0.080 0.000 0.845 806 R HN 0.324 nan 8.270 nan 0.000 0.430 807 G N 0.159 108.898 108.800 -0.102 0.000 2.462 807 G HA2 -0.200 3.763 3.960 0.005 0.000 0.220 807 G HA3 -0.200 3.763 3.960 0.005 0.000 0.220 807 G C 1.426 176.322 174.900 -0.007 0.000 1.121 807 G CA 1.128 46.157 45.100 -0.118 0.000 0.758 807 G HN 0.362 nan 8.290 nan 0.000 0.559 808 I N -0.318 120.245 120.570 -0.012 0.000 2.277 808 I HA 0.008 4.180 4.170 0.005 0.000 0.243 808 I C 2.606 178.763 176.117 0.066 0.000 1.094 808 I CA 0.345 61.644 61.300 -0.003 0.000 1.393 808 I CB -0.227 37.744 38.000 -0.049 0.000 1.078 808 I HN 0.104 nan 8.210 nan 0.000 0.417 809 L N 0.358 121.591 121.223 0.017 0.000 1.994 809 L HA -0.244 4.099 4.340 0.005 0.000 0.208 809 L C 2.835 179.702 176.870 -0.005 0.000 1.071 809 L CA 2.057 56.897 54.840 -0.000 0.000 0.745 809 L CB -0.385 41.650 42.059 -0.039 0.000 0.892 809 L HN 0.323 nan 8.230 nan 0.000 0.431 810 T N -1.559 112.989 114.554 -0.010 0.000 2.737 810 T HA -0.342 4.010 4.350 0.005 0.000 0.269 810 T C 1.723 176.459 174.700 0.061 0.000 1.040 810 T CA 2.027 64.117 62.100 -0.016 0.000 1.142 810 T CB -0.437 68.425 68.868 -0.010 0.000 0.861 810 T HN 0.491 nan 8.240 nan 0.000 0.456 811 Y N 2.502 122.789 120.300 -0.022 0.000 2.036 811 Y HA -0.153 4.400 4.550 0.005 0.000 0.273 811 Y C 2.426 178.334 175.900 0.013 0.000 1.135 811 Y CA 2.235 60.347 58.100 0.019 0.000 1.106 811 Y CB -0.903 37.587 38.460 0.051 0.000 0.976 811 Y HN 0.266 nan 8.280 nan 0.000 0.483 812 N N 0.588 119.498 118.700 0.350 0.000 2.258 812 N HA -0.204 4.539 4.740 0.005 0.000 0.187 812 N C 1.570 177.064 175.510 -0.026 0.000 1.012 812 N CA 1.422 54.572 53.050 0.168 0.000 0.870 812 N CB -0.336 38.270 38.487 0.199 0.000 0.977 812 N HN 0.508 nan 8.380 nan 0.000 0.434 813 R N 0.218 120.673 120.500 -0.075 0.000 2.323 813 R HA 0.113 4.456 4.340 0.005 0.000 0.198 813 R C 1.512 177.740 176.300 -0.120 0.000 0.988 813 R CA 0.301 56.312 56.100 -0.148 0.000 1.041 813 R CB 0.207 30.332 30.300 -0.292 0.000 0.926 813 R HN 0.179 nan 8.270 nan 0.000 0.476 814 A N 0.097 122.842 122.820 -0.124 0.000 2.026 814 A HA 0.094 4.416 4.320 0.005 0.000 0.201 814 A C 1.400 178.878 177.584 -0.176 0.000 1.318 814 A CA 0.008 51.963 52.037 -0.137 0.000 0.857 814 A CB 0.355 19.300 19.000 -0.091 0.000 0.939 814 A HN 0.084 nan 8.150 nan 0.000 0.476 815 I N 1.515 121.944 120.570 -0.236 0.000 3.605 815 I HA -0.058 4.115 4.170 0.005 0.000 0.301 815 I C 1.701 177.768 176.117 -0.084 0.000 1.267 815 I CA 0.446 61.630 61.300 -0.194 0.000 1.236 815 I CB -0.259 37.587 38.000 -0.257 0.000 1.010 815 I HN 0.252 nan 8.210 nan 0.000 0.491 816 K N 0.561 120.917 120.400 -0.073 0.000 2.089 816 K HA -0.127 4.196 4.320 0.005 0.000 0.210 816 K C 1.284 177.864 176.600 -0.033 0.000 1.048 816 K CA 1.316 57.579 56.287 -0.039 0.000 0.926 816 K CB -0.708 31.768 32.500 -0.039 0.000 0.714 816 K HN 0.440 nan 8.250 nan 0.000 0.448 817 G N 1.999 110.771 108.800 -0.047 0.000 2.475 817 G HA2 0.110 4.072 3.960 0.005 0.000 0.322 817 G HA3 0.110 4.072 3.960 0.005 0.000 0.322 817 G C 0.251 175.125 174.900 -0.043 0.000 1.044 817 G CA -0.668 44.408 45.100 -0.040 0.000 1.047 817 G HN 0.142 nan 8.290 nan 0.000 0.436 818 N N 2.458 121.141 118.700 -0.027 0.000 2.085 818 N HA -0.066 4.677 4.740 0.005 0.000 0.191 818 N C 1.381 176.878 175.510 -0.022 0.000 1.058 818 N CA 1.063 54.101 53.050 -0.020 0.000 0.849 818 N CB 0.062 38.545 38.487 -0.007 0.000 1.038 818 N HN 0.574 nan 8.380 nan 0.000 0.434 819 I N 0.018 120.575 120.570 -0.020 0.000 5.447 819 I HA -0.330 3.843 4.170 0.005 0.000 0.154 819 I C -0.443 175.663 176.117 -0.018 0.000 1.813 819 I CA 0.575 61.863 61.300 -0.020 0.000 2.037 819 I CB -1.248 36.739 38.000 -0.021 0.000 3.343 819 I HN 0.094 nan 8.210 nan 0.000 0.169 820 D N -0.996 119.395 120.400 -0.016 0.000 2.527 820 D HA -0.348 4.295 4.640 0.005 0.000 0.160 820 D C 1.595 177.894 176.300 -0.002 0.000 1.646 820 D CA 1.985 55.975 54.000 -0.016 0.000 1.652 820 D CB -1.272 39.506 40.800 -0.038 0.000 1.337 820 D HN 0.675 nan 8.370 nan 0.000 0.432 821 A N 0.062 122.882 122.820 0.000 0.000 1.997 821 A HA -0.093 4.230 4.320 0.005 0.000 0.221 821 A C -1.219 176.387 177.584 0.036 0.000 1.172 821 A CA 1.525 53.571 52.037 0.014 0.000 0.645 821 A CB -1.205 17.800 19.000 0.008 0.000 0.813 821 A HN 0.421 nan 8.150 nan 0.000 0.454 822 P HA 0.181 nan 4.420 nan 0.000 0.291 822 P C -0.608 176.758 177.300 0.111 0.000 1.340 822 P CA -0.303 62.836 63.100 0.066 0.000 0.799 822 P CB 0.810 32.519 31.700 0.015 0.000 0.917 823 Q N 2.657 122.556 119.800 0.165 0.000 2.471 823 Q HA 0.297 4.640 4.340 0.005 0.000 0.223 823 Q C -0.282 175.868 176.000 0.250 0.000 1.045 823 Q CA -0.377 55.530 55.803 0.174 0.000 0.956 823 Q CB 1.058 29.895 28.738 0.166 0.000 1.249 823 Q HN 0.421 nan 8.270 nan 0.000 0.549 824 V N -1.042 118.994 119.914 0.204 0.000 2.919 824 V HA 0.552 4.675 4.120 0.005 0.000 0.316 824 V C -0.446 175.735 176.094 0.145 0.000 1.077 824 V CA -1.014 61.421 62.300 0.225 0.000 0.977 824 V CB 1.719 33.645 31.823 0.171 0.000 1.039 824 V HN 0.521 nan 8.190 nan 0.000 0.441 825 V N 2.149 122.110 119.914 0.078 0.000 2.372 825 V HA 0.336 4.458 4.120 0.005 0.000 0.261 825 V C 0.346 176.480 176.094 0.068 0.000 1.055 825 V CA 0.098 62.408 62.300 0.017 0.000 0.930 825 V CB 0.184 31.940 31.823 -0.111 0.000 1.031 825 V HN 1.023 nan 8.190 nan 0.000 0.479 826 E N 3.919 124.201 120.200 0.136 0.000 2.035 826 E HA 0.433 4.786 4.350 0.005 0.000 0.271 826 E C 1.281 177.891 176.600 0.017 0.000 0.953 826 E CA -0.109 56.371 56.400 0.132 0.000 0.777 826 E CB 0.802 30.647 29.700 0.242 0.000 1.104 826 E HN 0.922 nan 8.360 nan 0.000 0.408 827 G N 4.040 112.813 108.800 -0.044 0.000 2.465 827 G HA2 -0.305 3.658 3.960 0.005 0.000 0.324 827 G HA3 -0.305 3.658 3.960 0.005 0.000 0.324 827 G C 0.149 174.898 174.900 -0.253 0.000 0.847 827 G CA 1.208 46.236 45.100 -0.120 0.000 0.858 827 G HN 0.487 nan 8.290 nan 0.000 0.505 828 E N -0.922 119.111 120.200 -0.278 0.000 2.354 828 E HA 0.433 4.786 4.350 0.005 0.000 0.283 828 E C -0.158 176.417 176.600 -0.040 0.000 0.938 828 E CA -0.826 55.385 56.400 -0.315 0.000 0.777 828 E CB 0.898 29.984 29.700 -1.023 0.000 1.222 828 E HN 0.280 nan 8.360 nan 0.000 0.423 829 K N 0.712 121.086 120.400 -0.043 0.000 4.845 829 K HA -0.140 4.183 4.320 0.005 0.000 0.562 829 K C -0.638 175.857 176.600 -0.175 0.000 1.537 829 K CA 0.795 57.042 56.287 -0.067 0.000 1.210 829 K CB -0.859 31.623 32.500 -0.029 0.000 1.864 829 K HN 0.253 nan 8.250 nan 0.000 0.275 830 V N 2.518 122.286 119.914 -0.244 0.000 3.156 830 V HA 0.281 4.404 4.120 0.005 0.000 0.311 830 V C 0.328 176.144 176.094 -0.464 0.000 1.208 830 V CA -0.860 61.219 62.300 -0.368 0.000 1.063 830 V CB 1.338 33.035 31.823 -0.211 0.000 1.098 830 V HN 0.594 nan 8.190 nan 0.000 0.452 831 Y N 0.152 120.150 120.300 -0.504 0.000 2.239 831 Y HA 0.393 4.946 4.550 0.005 0.000 0.293 831 Y C 0.829 176.507 175.900 -0.371 0.000 1.126 831 Y CA 0.386 58.076 58.100 -0.683 0.000 1.128 831 Y CB 0.188 37.551 38.460 -1.829 0.000 1.066 831 Y HN 0.294 nan 8.280 nan 0.000 0.516 832 V N 1.482 121.387 119.914 -0.014 0.000 3.511 832 V HA -0.240 3.882 4.120 0.005 0.000 0.502 832 V C -1.011 175.094 176.094 0.018 0.000 0.682 832 V CA -0.280 61.999 62.300 -0.034 0.000 2.051 832 V CB -1.415 30.338 31.823 -0.116 0.000 2.482 832 V HN 0.180 nan 8.190 nan 0.000 0.508 833 L N 5.584 126.788 121.223 -0.031 0.000 2.611 833 L HA 0.364 4.706 4.340 0.005 0.000 0.260 833 L C -1.666 175.154 176.870 -0.084 0.000 0.924 833 L CA -1.504 53.328 54.840 -0.014 0.000 0.901 833 L CB 2.523 44.612 42.059 0.050 0.000 1.369 833 L HN 0.399 nan 8.230 nan 0.000 0.415 834 P HA -0.196 nan 4.420 nan 0.000 0.211 834 P C -0.672 176.638 177.300 0.017 0.000 1.038 834 P CA 1.451 64.596 63.100 0.076 0.000 0.988 834 P CB -0.003 31.763 31.700 0.109 0.000 0.758 835 L N -4.490 116.737 121.223 0.007 0.000 2.492 835 L HA -0.169 4.174 4.340 0.005 0.000 0.539 835 L C 0.067 176.977 176.870 0.068 0.000 1.002 835 L CA -0.267 54.576 54.840 0.005 0.000 1.255 835 L CB -1.095 40.879 42.059 -0.141 0.000 1.655 835 L HN 0.111 nan 8.230 nan 0.000 0.843 836 R N 1.692 122.288 120.500 0.160 0.000 2.643 836 R HA 0.242 4.584 4.340 0.005 0.000 0.270 836 R C 0.505 176.845 176.300 0.066 0.000 1.061 836 R CA -0.218 55.982 56.100 0.168 0.000 1.107 836 R CB 0.521 30.991 30.300 0.284 0.000 0.999 836 R HN 0.621 nan 8.270 nan 0.000 0.460 837 E N 0.782 121.008 120.200 0.043 0.000 2.404 837 E HA 0.229 4.582 4.350 0.005 0.000 0.261 837 E C 0.455 177.004 176.600 -0.086 0.000 1.074 837 E CA 0.098 56.486 56.400 -0.019 0.000 0.917 837 E CB 0.630 30.343 29.700 0.020 0.000 0.965 837 E HN 0.665 nan 8.360 nan 0.000 0.433 838 G N 2.383 111.106 108.800 -0.129 0.000 2.137 838 G HA2 -0.315 3.648 3.960 0.005 0.000 0.237 838 G HA3 -0.315 3.648 3.960 0.005 0.000 0.237 838 G C -0.372 174.264 174.900 -0.440 0.000 1.002 838 G CA 0.132 45.131 45.100 -0.168 0.000 0.702 838 G HN 1.013 nan 8.290 nan 0.000 0.515 839 N N 0.115 118.482 118.700 -0.556 0.000 2.513 839 N HA 0.585 5.328 4.740 0.005 0.000 0.274 839 N C -1.445 173.816 175.510 -0.414 0.000 1.189 839 N CA -1.855 50.610 53.050 -0.974 0.000 0.975 839 N CB 1.110 39.173 38.487 -0.708 0.000 1.157 839 N HN 0.071 nan 8.380 nan 0.000 0.465 840 P HA 0.099 nan 4.420 nan 0.000 0.237 840 P C -0.894 176.166 177.300 -0.400 0.000 1.723 840 P CA 0.193 63.117 63.100 -0.294 0.000 0.882 840 P CB -0.507 31.031 31.700 -0.270 0.000 1.810 841 F N -0.423 119.407 119.950 -0.200 0.000 2.784 841 F HA 0.382 4.912 4.527 0.005 0.000 0.316 841 F C 1.388 177.126 175.800 -0.103 0.000 1.026 841 F CA 0.697 58.615 58.000 -0.138 0.000 1.188 841 F CB -0.120 38.797 39.000 -0.139 0.000 0.999 841 F HN 0.146 nan 8.300 nan 0.000 0.605 842 G N 1.643 110.506 108.800 0.106 0.000 2.777 842 G HA2 0.171 4.134 3.960 0.005 0.000 0.686 842 G HA3 0.171 4.134 3.960 0.005 0.000 0.686 842 G C -0.893 174.043 174.900 0.059 0.000 1.177 842 G CA -0.710 44.433 45.100 0.072 0.000 0.775 842 G HN 0.255 nan 8.290 nan 0.000 0.613 843 D N -0.604 119.826 120.400 0.050 0.000 10.640 843 D HA -0.116 4.526 4.640 0.005 0.000 0.360 843 D C 0.166 176.467 176.300 0.003 0.000 3.073 843 D CA 1.241 55.263 54.000 0.036 0.000 2.519 843 D CB -0.282 40.526 40.800 0.015 0.000 1.179 843 D HN 0.895 nan 8.370 nan 0.000 0.978 844 K N 0.277 120.682 120.400 0.008 0.000 2.723 844 K HA 0.590 4.913 4.320 0.005 0.000 0.229 844 K C -1.081 175.487 176.600 -0.054 0.000 1.022 844 K CA -0.305 55.980 56.287 -0.003 0.000 1.045 844 K CB 1.145 33.691 32.500 0.076 0.000 1.227 844 K HN 0.873 nan 8.250 nan 0.000 0.516 845 C N -0.084 119.105 119.300 -0.185 0.000 2.010 845 C HA 0.119 4.582 4.460 0.005 0.000 0.256 845 C C -1.502 173.327 174.990 -0.270 0.000 1.016 845 C CA -1.348 57.478 59.018 -0.321 0.000 0.944 845 C CB -1.039 26.230 27.740 -0.784 0.000 1.497 845 C HN 0.764 nan 8.230 nan 0.000 0.637 846 I N 2.113 122.568 120.570 -0.192 0.000 2.934 846 I HA 0.891 5.064 4.170 0.005 0.000 0.306 846 I C 0.461 176.632 176.117 0.090 0.000 1.110 846 I CA -0.230 61.047 61.300 -0.039 0.000 1.019 846 I CB 2.091 40.083 38.000 -0.013 0.000 1.227 846 I HN 1.368 nan 8.210 nan 0.000 0.434 847 A N 3.029 125.964 122.820 0.191 0.000 2.539 847 A HA 0.860 5.183 4.320 0.005 0.000 0.296 847 A C -2.015 175.744 177.584 0.292 0.000 1.073 847 A CA -0.460 51.708 52.037 0.217 0.000 0.700 847 A CB 1.677 20.665 19.000 -0.019 0.000 1.296 847 A HN 0.853 nan 8.150 nan 0.000 0.405 848 W N -0.058 121.228 121.300 -0.024 0.000 3.118 848 W HA 0.717 5.381 4.660 0.005 0.000 0.328 848 W C -3.326 173.139 176.519 -0.090 0.000 1.239 848 W CA -2.708 54.545 57.345 -0.154 0.000 1.176 848 W CB 0.292 29.860 29.460 0.180 0.000 1.433 848 W HN 0.469 nan 8.180 nan 0.000 0.562 849 P HA -0.081 nan 4.420 nan 0.000 0.263 849 P C 0.320 177.307 177.300 -0.520 0.000 1.162 849 P CA 0.791 63.777 63.100 -0.189 0.000 0.758 849 P CB 0.552 32.270 31.700 0.031 0.000 0.773 850 S N 2.301 117.602 115.700 -0.665 0.000 2.584 850 S HA 0.403 4.876 4.470 0.005 0.000 0.270 850 S C 1.538 175.889 174.600 -0.414 0.000 1.346 850 S CA 0.206 57.768 58.200 -1.063 0.000 1.018 850 S CB 0.089 62.878 63.200 -0.685 0.000 0.899 850 S HN 0.952 nan 8.310 nan 0.000 0.542 851 G N 0.703 109.387 108.800 -0.194 0.000 2.328 851 G HA2 -0.316 3.647 3.960 0.005 0.000 0.256 851 G HA3 -0.316 3.647 3.960 0.005 0.000 0.256 851 G C 0.424 175.435 174.900 0.186 0.000 1.014 851 G CA 0.915 46.048 45.100 0.055 0.000 0.620 851 G HN 1.762 nan 8.290 nan 0.000 0.530 852 T N -1.309 113.425 114.554 0.300 0.000 2.874 852 T HA 0.690 5.042 4.350 0.005 0.000 0.281 852 T C 0.288 175.373 174.700 0.642 0.000 0.994 852 T CA -0.111 62.230 62.100 0.402 0.000 1.015 852 T CB 2.498 71.594 68.868 0.380 0.000 1.028 852 T HN 0.248 nan 8.240 nan 0.000 0.523 853 E N -0.010 120.448 120.200 0.431 0.000 2.849 853 E HA 0.503 4.856 4.350 0.005 0.000 0.257 853 E C -0.229 176.530 176.600 0.264 0.000 1.306 853 E CA -0.584 56.046 56.400 0.383 0.000 1.058 853 E CB 0.867 30.690 29.700 0.205 0.000 1.249 853 E HN 0.638 nan 8.360 nan 0.000 0.638 854 I N 0.256 120.825 120.570 -0.002 0.000 2.569 854 I HA 0.156 4.328 4.170 0.005 0.000 0.296 854 I C -0.130 175.925 176.117 -0.103 0.000 1.028 854 I CA -0.839 60.327 61.300 -0.222 0.000 1.082 854 I CB 1.939 39.565 38.000 -0.625 0.000 1.264 854 I HN 0.240 nan 8.210 nan 0.000 0.429 855 T N 2.633 117.147 114.554 -0.067 0.000 2.778 855 T HA -0.032 4.321 4.350 0.005 0.000 0.282 855 T C 0.779 175.436 174.700 -0.071 0.000 0.983 855 T CA -0.366 61.706 62.100 -0.047 0.000 1.193 855 T CB -0.003 68.841 68.868 -0.039 0.000 0.938 855 T HN 0.508 nan 8.240 nan 0.000 0.523 856 D N 2.534 122.907 120.400 -0.046 0.000 2.218 856 D HA -0.212 4.430 4.640 0.005 0.000 0.194 856 D C 2.191 178.462 176.300 -0.048 0.000 1.007 856 D CA 1.409 55.383 54.000 -0.044 0.000 0.879 856 D CB -0.366 40.420 40.800 -0.023 0.000 0.918 856 D HN 0.753 nan 8.370 nan 0.000 0.449 857 L N -0.496 120.698 121.223 -0.048 0.000 2.043 857 L HA -0.145 4.198 4.340 0.005 0.000 0.212 857 L C 2.601 179.443 176.870 -0.046 0.000 1.075 857 L CA 1.610 56.421 54.840 -0.048 0.000 0.752 857 L CB -1.010 41.016 42.059 -0.055 0.000 0.891 857 L HN 0.113 nan 8.230 nan 0.000 0.432 858 I N -3.972 116.566 120.570 -0.055 0.000 2.628 858 I HA 0.017 4.190 4.170 0.005 0.000 0.255 858 I C 2.613 178.718 176.117 -0.020 0.000 1.119 858 I CA 0.283 61.575 61.300 -0.013 0.000 1.448 858 I CB -0.486 37.504 38.000 -0.016 0.000 1.133 858 I HN 0.086 nan 8.210 nan 0.000 0.438 859 K N 2.122 122.459 120.400 -0.106 0.000 1.987 859 K HA -0.360 3.962 4.320 0.005 0.000 0.232 859 K C 1.652 178.186 176.600 -0.111 0.000 1.034 859 K CA 2.994 59.178 56.287 -0.172 0.000 1.013 859 K CB -0.864 31.551 32.500 -0.142 0.000 0.736 859 K HN 0.369 nan 8.250 nan 0.000 0.446 860 D N 0.632 120.998 120.400 -0.057 0.000 2.220 860 D HA -0.161 4.482 4.640 0.005 0.000 0.198 860 D C 1.617 177.933 176.300 0.027 0.000 1.001 860 D CA 1.506 55.490 54.000 -0.025 0.000 0.875 860 D CB -0.084 40.701 40.800 -0.026 0.000 0.921 860 D HN 0.351 nan 8.370 nan 0.000 0.454 861 D N -0.609 119.844 120.400 0.088 0.000 2.085 861 D HA -0.088 4.555 4.640 0.005 0.000 0.199 861 D C 2.348 178.860 176.300 0.353 0.000 0.981 861 D CA 0.509 54.662 54.000 0.256 0.000 0.834 861 D CB -0.427 40.582 40.800 0.348 0.000 0.992 861 D HN 0.062 nan 8.370 nan 0.000 0.457 862 V N 1.958 122.027 119.914 0.258 0.000 2.232 862 V HA -0.333 3.789 4.120 0.005 0.000 0.254 862 V C 2.770 178.874 176.094 0.016 0.000 1.058 862 V CA 2.050 64.365 62.300 0.026 0.000 1.048 862 V CB -0.920 30.773 31.823 -0.217 0.000 0.668 862 V HN 0.121 nan 8.190 nan 0.000 0.462 863 L N -0.332 120.842 121.223 -0.081 0.000 2.079 863 L HA -0.227 4.116 4.340 0.005 0.000 0.210 863 L C 2.483 179.349 176.870 -0.006 0.000 1.081 863 L CA 2.457 57.258 54.840 -0.066 0.000 0.752 863 L CB -1.362 40.636 42.059 -0.101 0.000 0.896 863 L HN 0.556 nan 8.230 nan 0.000 0.433 864 H N -0.885 118.144 119.070 -0.068 0.000 2.353 864 H HA -0.228 4.331 4.556 0.005 0.000 0.300 864 H C 2.030 177.220 175.328 -0.229 0.000 1.090 864 H CA 2.188 58.123 56.048 -0.189 0.000 1.327 864 H CB -0.301 29.270 29.762 -0.319 0.000 1.383 864 H HN 0.452 nan 8.280 nan 0.000 0.508 865 W N 1.082 122.289 121.300 -0.155 0.000 2.418 865 W HA 0.035 4.698 4.660 0.004 0.000 0.292 865 W C 1.528 177.977 176.519 -0.117 0.000 1.213 865 W CA -0.376 56.882 57.345 -0.146 0.000 1.283 865 W CB 0.045 29.541 29.460 0.060 0.000 1.119 865 W HN 0.031 nan 8.180 nan 0.000 0.542 866 M N 2.153 121.832 119.600 0.131 0.000 2.166 866 M HA -0.205 4.278 4.480 0.005 0.000 0.425 866 M C -0.192 176.184 176.300 0.128 0.000 1.230 866 M CA 0.922 56.257 55.300 0.059 0.000 0.740 866 M CB 0.056 32.651 32.600 -0.008 0.000 1.892 866 M HN -0.152 nan 8.290 nan 0.000 0.526 867 D N 4.123 124.579 120.400 0.094 0.000 2.347 867 D HA 0.112 4.755 4.640 0.005 0.000 0.235 867 D C -0.126 176.263 176.300 0.149 0.000 1.149 867 D CA 0.057 54.148 54.000 0.152 0.000 0.850 867 D CB 0.513 41.395 40.800 0.136 0.000 1.061 867 D HN 0.456 nan 8.370 nan 0.000 0.487 868 Y N 1.716 122.095 120.300 0.131 0.000 2.134 868 Y HA -0.201 4.352 4.550 0.005 0.000 0.283 868 Y C 2.719 178.751 175.900 0.220 0.000 1.108 868 Y CA 1.909 60.141 58.100 0.220 0.000 1.096 868 Y CB -0.758 37.821 38.460 0.199 0.000 1.005 868 Y HN 0.503 nan 8.280 nan 0.000 0.487 869 T N -1.636 113.115 114.554 0.329 0.000 2.594 869 T HA -0.315 4.038 4.350 0.005 0.000 0.266 869 T C 1.980 176.754 174.700 0.123 0.000 1.070 869 T CA 2.179 64.391 62.100 0.187 0.000 1.166 869 T CB -1.420 67.532 68.868 0.141 0.000 0.862 869 T HN 0.111 nan 8.240 nan 0.000 0.436 870 V N 2.222 122.208 119.914 0.120 0.000 2.215 870 V HA -0.204 3.919 4.120 0.005 0.000 0.249 870 V C 2.736 178.878 176.094 0.078 0.000 1.054 870 V CA 2.335 64.687 62.300 0.087 0.000 1.012 870 V CB -1.039 30.848 31.823 0.106 0.000 0.639 870 V HN 0.578 nan 8.190 nan 0.000 0.448 871 L N -0.970 120.320 121.223 0.112 0.000 2.011 871 L HA -0.326 4.017 4.340 0.005 0.000 0.225 871 L C 2.444 179.357 176.870 0.072 0.000 1.084 871 L CA 2.282 57.193 54.840 0.119 0.000 0.791 871 L CB -0.369 41.778 42.059 0.147 0.000 0.898 871 L HN 0.355 nan 8.230 nan 0.000 0.440 872 L N -0.445 120.786 121.223 0.012 0.000 1.990 872 L HA -0.301 4.042 4.340 0.005 0.000 0.213 872 L C 2.728 179.556 176.870 -0.069 0.000 1.072 872 L CA 1.799 56.536 54.840 -0.172 0.000 0.755 872 L CB -0.415 41.480 42.059 -0.274 0.000 0.889 872 L HN 0.400 nan 8.230 nan 0.000 0.432 873 E N -0.280 119.900 120.200 -0.033 0.000 2.021 873 E HA -0.328 4.025 4.350 0.005 0.000 0.200 873 E C 2.129 178.693 176.600 -0.060 0.000 1.015 873 E CA 1.665 58.041 56.400 -0.041 0.000 0.824 873 E CB -0.186 29.503 29.700 -0.018 0.000 0.762 873 E HN 0.262 nan 8.360 nan 0.000 0.454 874 K N 0.452 120.830 120.400 -0.037 0.000 1.991 874 K HA -0.156 4.166 4.320 0.005 0.000 0.212 874 K C 2.385 178.961 176.600 -0.040 0.000 1.049 874 K CA 2.387 58.647 56.287 -0.045 0.000 0.932 874 K CB -0.793 31.689 32.500 -0.030 0.000 0.717 874 K HN 0.304 nan 8.250 nan 0.000 0.441 875 T N -1.876 112.679 114.554 0.002 0.000 2.674 875 T HA -0.136 4.217 4.350 0.005 0.000 0.265 875 T C 1.955 176.671 174.700 0.026 0.000 1.039 875 T CA 1.474 63.593 62.100 0.031 0.000 1.150 875 T CB -0.501 68.421 68.868 0.091 0.000 0.864 875 T HN 0.234 nan 8.240 nan 0.000 0.427 876 F N 1.096 120.922 119.950 -0.206 0.000 2.532 876 F HA 0.399 4.929 4.527 0.005 0.000 0.278 876 F C 1.938 177.518 175.800 -0.368 0.000 0.975 876 F CA -0.557 57.263 58.000 -0.301 0.000 1.292 876 F CB 0.044 38.801 39.000 -0.404 0.000 1.112 876 F HN -0.016 nan 8.300 nan 0.000 0.703 877 I N 0.758 121.187 120.570 -0.235 0.000 2.127 877 I HA -0.330 3.842 4.170 0.005 0.000 0.241 877 I C 2.451 178.261 176.117 -0.511 0.000 1.075 877 I CA 1.779 62.813 61.300 -0.443 0.000 1.334 877 I CB -0.899 36.967 38.000 -0.222 0.000 1.040 877 I HN 0.120 nan 8.210 nan 0.000 0.405 878 K N 1.276 121.482 120.400 -0.323 0.000 2.000 878 K HA -0.199 4.124 4.320 0.005 0.000 0.218 878 K C -0.308 176.061 176.600 -0.385 0.000 1.053 878 K CA 2.503 58.624 56.287 -0.277 0.000 0.946 878 K CB -1.070 31.325 32.500 -0.175 0.000 0.723 878 K HN 0.239 nan 8.250 nan 0.000 0.446 879 P HA -0.211 nan 4.420 nan 0.000 0.215 879 P C 1.768 178.333 177.300 -1.225 0.000 1.157 879 P CA 1.318 64.047 63.100 -0.619 0.000 0.868 879 P CB -0.161 31.257 31.700 -0.471 0.000 0.788 880 L N 0.233 120.701 121.223 -1.259 0.000 1.971 880 L HA -0.248 4.094 4.340 0.005 0.000 0.215 880 L C 2.777 179.110 176.870 -0.895 0.000 1.072 880 L CA 2.587 56.611 54.840 -1.360 0.000 0.758 880 L CB -0.893 40.366 42.059 -1.333 0.000 0.889 880 L HN -0.014 nan 8.230 nan 0.000 0.433 881 E N -0.009 119.796 120.200 -0.659 0.000 2.095 881 E HA -0.253 4.099 4.350 0.005 0.000 0.212 881 E C 1.858 178.363 176.600 -0.159 0.000 1.044 881 E CA 2.232 58.466 56.400 -0.277 0.000 0.857 881 E CB -0.911 28.658 29.700 -0.218 0.000 0.764 881 E HN 0.545 nan 8.360 nan 0.000 0.462 882 G N -0.167 108.512 108.800 -0.201 0.000 2.586 882 G HA2 -0.309 3.654 3.960 0.005 0.000 0.218 882 G HA3 -0.309 3.654 3.960 0.005 0.000 0.218 882 G C 1.318 176.337 174.900 0.199 0.000 1.216 882 G CA 1.515 46.623 45.100 0.014 0.000 0.786 882 G HN 0.308 nan 8.290 nan 0.000 0.583 883 F N 2.071 121.994 119.950 -0.045 0.000 2.054 883 F HA -0.265 4.264 4.527 0.005 0.000 0.294 883 F C 3.159 178.836 175.800 -0.206 0.000 1.126 883 F CA 1.846 59.804 58.000 -0.070 0.000 1.226 883 F CB -1.801 37.065 39.000 -0.223 0.000 0.947 883 F HN 0.382 nan 8.300 nan 0.000 0.509 884 T N -1.113 113.458 114.554 0.029 0.000 2.531 884 T HA -0.321 4.032 4.350 0.005 0.000 0.261 884 T C 2.092 176.762 174.700 -0.050 0.000 1.141 884 T CA 2.787 64.848 62.100 -0.065 0.000 1.176 884 T CB -1.267 67.594 68.868 -0.012 0.000 0.863 884 T HN 0.258 nan 8.240 nan 0.000 0.424 885 S N 2.684 118.378 115.700 -0.009 0.000 2.378 885 S HA -0.138 4.335 4.470 0.005 0.000 0.229 885 S C 2.647 177.262 174.600 0.025 0.000 1.052 885 S CA 1.652 59.850 58.200 -0.003 0.000 1.084 885 S CB -1.320 61.889 63.200 0.014 0.000 0.950 885 S HN 0.912 nan 8.310 nan 0.000 0.440 886 A N 1.893 124.765 122.820 0.086 0.000 1.841 886 A HA 0.113 4.435 4.320 0.005 0.000 0.216 886 A C 2.370 180.017 177.584 0.106 0.000 1.199 886 A CA 1.865 53.987 52.037 0.142 0.000 0.621 886 A CB -1.337 17.824 19.000 0.269 0.000 0.835 886 A HN 0.636 nan 8.150 nan 0.000 0.445 887 A N -1.895 120.963 122.820 0.064 0.000 2.248 887 A HA 0.134 4.457 4.320 0.005 0.000 0.210 887 A C 0.752 178.285 177.584 -0.085 0.000 1.174 887 A CA 1.203 53.220 52.037 -0.034 0.000 0.750 887 A CB -0.325 18.507 19.000 -0.279 0.000 0.780 887 A HN 0.439 nan 8.150 nan 0.000 0.478 888 K N -1.453 118.908 120.400 -0.066 0.000 3.239 888 K HA -0.124 4.198 4.320 0.005 0.000 0.270 888 K C -0.554 175.989 176.600 -0.096 0.000 1.083 888 K CA 0.702 56.944 56.287 -0.075 0.000 0.782 888 K CB -2.375 30.078 32.500 -0.077 0.000 1.290 888 K HN 0.558 nan 8.250 nan 0.000 0.474 889 L N -0.671 120.487 121.223 -0.109 0.000 2.194 889 L HA 0.565 4.908 4.340 0.005 0.000 0.248 889 L C -0.246 176.540 176.870 -0.140 0.000 1.071 889 L CA -1.050 53.718 54.840 -0.120 0.000 0.901 889 L CB 1.748 43.727 42.059 -0.133 0.000 1.497 889 L HN -0.036 nan 8.230 nan 0.000 0.442 890 D N -1.370 118.938 120.400 -0.153 0.000 2.896 890 D HA 0.244 4.887 4.640 0.005 0.000 0.241 890 D C -0.348 175.830 176.300 -0.202 0.000 1.188 890 D CA -0.244 53.610 54.000 -0.244 0.000 0.879 890 D CB 2.090 42.754 40.800 -0.227 0.000 1.553 890 D HN 0.399 nan 8.370 nan 0.000 0.515 891 Y N 0.829 120.966 120.300 -0.272 0.000 2.436 891 Y HA 0.372 4.925 4.550 0.005 0.000 0.288 891 Y C 0.496 176.228 175.900 -0.279 0.000 1.112 891 Y CA -0.002 57.869 58.100 -0.382 0.000 1.220 891 Y CB 0.229 38.242 38.460 -0.745 0.000 1.073 891 Y HN 0.107 nan 8.280 nan 0.000 0.552 892 E N 2.087 122.121 120.200 -0.277 0.000 2.176 892 E HA 0.198 4.551 4.350 0.005 0.000 0.267 892 E C -0.916 175.614 176.600 -0.116 0.000 0.893 892 E CA -0.916 55.462 56.400 -0.037 0.000 0.761 892 E CB 1.504 31.216 29.700 0.020 0.000 1.133 892 E HN 0.116 nan 8.360 nan 0.000 0.409 893 K N 3.066 123.448 120.400 -0.030 0.000 2.414 893 K HA 0.028 4.351 4.320 0.005 0.000 0.272 893 K C -0.273 176.289 176.600 -0.062 0.000 0.993 893 K CA -0.301 55.956 56.287 -0.051 0.000 0.964 893 K CB 0.566 33.058 32.500 -0.013 0.000 0.925 893 K HN 0.274 nan 8.250 nan 0.000 0.487 894 K N 2.228 122.580 120.400 -0.080 0.000 2.453 894 K HA -0.046 4.277 4.320 0.005 0.000 0.280 894 K C -0.244 176.326 176.600 -0.049 0.000 1.045 894 K CA 0.208 56.450 56.287 -0.076 0.000 1.059 894 K CB 0.335 32.787 32.500 -0.080 0.000 0.901 894 K HN 0.680 nan 8.250 nan 0.000 0.475 895 A N 3.800 126.596 122.820 -0.040 0.000 2.544 895 A HA -0.056 4.267 4.320 0.005 0.000 0.286 895 A C 0.811 178.380 177.584 -0.026 0.000 1.274 895 A CA 0.391 52.414 52.037 -0.023 0.000 0.943 895 A CB -0.470 18.518 19.000 -0.020 0.000 1.032 895 A HN 0.645 nan 8.150 nan 0.000 0.560 896 S N 0.938 116.626 115.700 -0.019 0.000 2.550 896 S HA 0.092 4.565 4.470 0.005 0.000 0.285 896 S C 1.436 176.038 174.600 0.002 0.000 1.326 896 S CA -0.164 58.024 58.200 -0.021 0.000 1.037 896 S CB 0.021 63.227 63.200 0.009 0.000 0.838 896 S HN 0.518 nan 8.310 nan 0.000 0.519 897 L N 3.292 124.523 121.223 0.014 0.000 2.156 897 L HA 0.133 4.476 4.340 0.005 0.000 0.208 897 L C 1.377 178.342 176.870 0.158 0.000 1.095 897 L CA 1.179 56.062 54.840 0.072 0.000 0.770 897 L CB -0.567 41.545 42.059 0.088 0.000 0.914 897 L HN 0.571 nan 8.230 nan 0.000 0.439 898 F N 0.494 120.360 119.950 -0.140 0.000 2.703 898 F HA 0.054 4.584 4.527 0.005 0.000 0.299 898 F C 1.050 176.691 175.800 -0.266 0.000 1.229 898 F CA -0.849 57.032 58.000 -0.197 0.000 1.430 898 F CB -1.524 37.470 39.000 -0.009 0.000 1.053 898 F HN 0.114 nan 8.300 nan 0.000 0.513 899 D N -0.946 119.373 120.400 -0.134 0.000 2.425 899 D HA 0.239 4.882 4.640 0.005 0.000 0.274 899 D C 1.480 177.581 176.300 -0.331 0.000 1.242 899 D CA 0.009 53.934 54.000 -0.125 0.000 1.060 899 D CB 0.479 41.238 40.800 -0.068 0.000 1.112 899 D HN -0.022 nan 8.370 nan 0.000 0.561 900 M N -2.572 116.948 119.600 -0.134 0.000 2.872 900 M HA -0.247 4.235 4.480 0.005 0.000 0.170 900 M C -0.199 176.253 176.300 0.254 0.000 0.663 900 M CA 1.348 56.629 55.300 -0.032 0.000 0.650 900 M CB -1.596 30.912 32.600 -0.153 0.000 2.358 900 M HN 0.170 nan 8.290 nan 0.000 0.271 901 F N 2.312 122.245 119.950 -0.029 0.000 2.411 901 F HA 0.508 5.038 4.527 0.005 0.000 0.355 901 F C 0.187 175.981 175.800 -0.009 0.000 1.117 901 F CA -1.858 56.100 58.000 -0.071 0.000 1.139 901 F CB 0.183 39.082 39.000 -0.169 0.000 1.120 901 F HN 0.011 nan 8.300 nan 0.000 0.493 902 D N 3.856 124.351 120.400 0.158 0.000 2.339 902 D HA 0.315 4.958 4.640 0.005 0.000 0.241 902 D C -0.414 175.981 176.300 0.159 0.000 1.183 902 D CA 0.185 54.266 54.000 0.134 0.000 0.859 902 D CB 0.798 41.647 40.800 0.081 0.000 1.067 902 D HN 0.109 nan 8.370 nan 0.000 0.484 903 F N 0.000 119.999 119.950 0.082 0.000 2.286 903 F HA 0.000 4.530 4.527 0.005 0.000 0.279 903 F CA 0.000 58.041 58.000 0.068 0.000 1.383 903 F CB 0.000 39.054 39.000 0.090 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574