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 3hkz_1_B DATA FIRST_RESID 5 DATA SEQUENCE LTIDERWRVI EAYFKSKGLV RQHLDSYNDF VRNKLQEIID EQGEIPTEIP DATA SEQUENCE GLKVRLGKIR IGKPRVRESD RGEREISPME ARLRNLTYAA PLWLTMIPVE DATA SEQUENCE NNIEAEPEEV YIGDLPIMLK SAIDPISQYT LDKLIEIGED PKDPGGYFIV DATA SEQUENCE NGSERVIVTQ EDLAPNRVLV DTGKTGSNIT HTAKIISSTA GYRVPVTIER DATA SEQUENCE LKDGTFHVSF PAVPGKIPFV ILMRALGILT DRDIVYAVSL DPEVQNELFP DATA SEQUENCE SLEQASSIAN VDDALDFIGS RVAIGQKREN RIEKAQQIID KYFLPHLGTS DATA SEQUENCE AEDRKKKAYY LAYAISKVIE LYLGRREPDD KDHYANKRLR LAGDLFASLF DATA SEQUENCE RVAFKAFVKD LTYQLEKSKV RGRKLALKAL VRPDIVTERI RHALATGNWV DATA SEQUENCE GGRTGVSQLL DRTNWLSMLS HLRRVISSLA RGQPNFEARD LHGTQWGRMC DATA SEQUENCE PFETPEGPNS GLVKNLALMA QIAVGINERI VEKTLYEMGV VPVEEVIXXX DATA SEQUENCE XXXXXXXXXX LKWSKVILNG RLIGYYQDGG ELANKIRERR RKGEISDEVN DATA SEQUENCE VGHIVTDFIN EVHVNCDSGR VRRPLIIVSN GNPLVTIEDI EKLESGAITF DATA SEQUENCE DDLVRQGKIE YLDAEEEENA YVALEPNDLT PDHTHLEIWS PAILGITASI DATA SEQUENCE IPYPEHNQSP RNTYQSAMAK QALGLYAANY QLRTDTRAHL LHYPQRPLVQ DATA SEQUENCE TRALDIIGYT NRPAGNNAIL AVMSFTGYNM EDSIIMNRSS VERGMYRSTF DATA SEQUENCE FRLYSTEEVK YPGGQEDKIV MPEAGVRGYK GKEYYRLLED NGVVSPEVEV DATA SEQUENCE KGGDVLIGKV SPPRXXXXXX XXXXXXAKRD TSIVTRHGEM GIVDLVLITE DATA SEQUENCE TAEGNKLVKV RVRDLRIPTI GDKFASRHGQ KGVIGMLIPQ VDMPYTVKGV DATA SEQUENCE VPDIILNPHA LPSRMTLGQI MEGIAGKYAA LSGNIVDATP FYKTPIEQLQ DATA SEQUENCE NEILRYGYLP DATEVVYDGR TGQKIKSRIY FGVVYYQKLH HMVADKLHAR DATA SEQUENCE ARGPVQILTR QPTEGRAREG GLRFGEMERD CLIGFGTAML LKDRLLDNSD DATA SEQUENCE RTMIYVCDQC GYIGWYDKNK NKYVCPIHGD KSNLFPVTVS YAFKLLIQEL DATA SEQUENCE MSMIISPRLV LEDKV 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.936 176.870 0.110 0.000 1.165 5 L CA 0.000 54.899 54.840 0.099 0.000 0.813 5 L CB 0.000 42.118 42.059 0.098 0.000 0.961 6 T N 1.939 116.570 114.554 0.129 0.000 2.678 6 T HA 0.775 5.125 4.350 -0.000 0.000 0.260 6 T C 0.899 175.710 174.700 0.185 0.000 0.932 6 T CA -0.414 61.771 62.100 0.141 0.000 1.043 6 T CB 1.903 70.850 68.868 0.131 0.000 1.413 6 T HN 0.450 nan 8.240 nan 0.000 0.568 7 I N -0.194 120.495 120.570 0.198 0.000 4.338 7 I HA 0.180 4.350 4.170 -0.000 0.000 0.315 7 I C 0.903 177.187 176.117 0.279 0.000 1.262 7 I CA 0.440 61.892 61.300 0.253 0.000 1.298 7 I CB -0.864 37.269 38.000 0.221 0.000 1.257 7 I HN 0.475 nan 8.210 nan 0.000 0.444 8 D N 1.201 121.736 120.400 0.226 0.000 2.277 8 D HA -0.119 4.521 4.640 -0.000 0.000 0.208 8 D C 1.882 178.340 176.300 0.263 0.000 0.962 8 D CA 0.568 54.723 54.000 0.258 0.000 0.865 8 D CB 0.322 41.239 40.800 0.195 0.000 0.939 8 D HN 0.405 nan 8.370 nan 0.000 0.510 9 E N 1.523 121.848 120.200 0.208 0.000 1.998 9 E HA -0.254 4.095 4.350 -0.000 0.000 0.196 9 E C 2.098 178.807 176.600 0.181 0.000 1.003 9 E CA 0.969 57.469 56.400 0.167 0.000 0.829 9 E CB 0.045 29.831 29.700 0.142 0.000 0.777 9 E HN 0.210 nan 8.360 nan 0.000 0.460 10 R N 0.381 121.013 120.500 0.221 0.000 2.140 10 R HA -0.227 4.113 4.340 -0.000 0.000 0.250 10 R C 2.532 178.935 176.300 0.172 0.000 1.150 10 R CA 1.832 58.070 56.100 0.230 0.000 0.966 10 R CB -1.507 28.993 30.300 0.333 0.000 0.869 10 R HN 0.546 nan 8.270 nan 0.000 0.445 11 W N 1.988 123.262 121.300 -0.044 0.000 2.311 11 W HA -0.212 4.448 4.660 -0.000 0.000 0.326 11 W C 1.930 178.350 176.519 -0.166 0.000 1.239 11 W CA 1.266 58.469 57.345 -0.236 0.000 1.258 11 W CB -0.190 29.201 29.460 -0.114 0.000 1.165 11 W HN 0.054 nan 8.180 nan 0.000 0.466 12 R N 0.242 120.646 120.500 -0.159 0.000 2.140 12 R HA -0.238 4.102 4.340 -0.000 0.000 0.250 12 R C 1.870 178.022 176.300 -0.247 0.000 1.150 12 R CA 2.084 58.032 56.100 -0.253 0.000 0.966 12 R CB -1.606 28.661 30.300 -0.055 0.000 0.869 12 R HN 0.298 nan 8.270 nan 0.000 0.445 13 V N 1.210 121.051 119.914 -0.121 0.000 2.233 13 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 13 V C 2.383 178.395 176.094 -0.136 0.000 1.050 13 V CA 1.909 64.204 62.300 -0.008 0.000 1.010 13 V CB -0.644 31.235 31.823 0.094 0.000 0.637 13 V HN 0.165 nan 8.190 nan 0.000 0.444 14 I N 0.108 120.493 120.570 -0.309 0.000 2.226 14 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 14 I C 2.509 178.261 176.117 -0.608 0.000 1.100 14 I CA 1.887 62.884 61.300 -0.505 0.000 1.374 14 I CB -0.430 37.320 38.000 -0.418 0.000 1.057 14 I HN 0.446 nan 8.210 nan 0.000 0.413 15 E N 0.461 120.197 120.200 -0.772 0.000 2.110 15 E HA -0.230 4.119 4.350 -0.000 0.000 0.193 15 E C 2.161 178.554 176.600 -0.345 0.000 0.988 15 E CA 1.176 57.165 56.400 -0.684 0.000 0.804 15 E CB -0.177 28.808 29.700 -1.192 0.000 0.745 15 E HN 0.596 nan 8.360 nan 0.000 0.458 16 A N 0.495 123.139 122.820 -0.292 0.000 1.930 16 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 16 A C 2.014 179.513 177.584 -0.143 0.000 1.175 16 A CA 1.368 53.321 52.037 -0.140 0.000 0.627 16 A CB -0.899 18.078 19.000 -0.038 0.000 0.815 16 A HN 0.593 nan 8.150 nan 0.000 0.443 17 Y N -0.179 119.870 120.300 -0.419 0.000 2.165 17 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 17 Y C 1.660 177.231 175.900 -0.549 0.000 1.155 17 Y CA 1.904 59.564 58.100 -0.733 0.000 1.164 17 Y CB -0.514 37.022 38.460 -1.539 0.000 0.978 17 Y HN 0.251 nan 8.280 nan 0.000 0.513 18 F N 0.664 120.249 119.950 -0.607 0.000 2.456 18 F HA 0.028 4.554 4.527 -0.000 0.000 0.298 18 F C 2.427 178.015 175.800 -0.354 0.000 1.104 18 F CA 1.151 58.826 58.000 -0.541 0.000 1.435 18 F CB -0.551 38.255 39.000 -0.322 0.000 1.078 18 F HN 0.011 nan 8.300 nan 0.000 0.546 19 K N -0.007 120.317 120.400 -0.126 0.000 2.148 19 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 19 K C 2.314 178.845 176.600 -0.114 0.000 1.050 19 K CA 1.347 57.579 56.287 -0.091 0.000 0.942 19 K CB -0.183 32.271 32.500 -0.076 0.000 0.724 19 K HN 0.254 nan 8.250 nan 0.000 0.446 20 S N -0.470 115.118 115.700 -0.188 0.000 2.496 20 S HA 0.044 4.514 4.470 -0.000 0.000 0.224 20 S C 1.240 175.710 174.600 -0.216 0.000 0.996 20 S CA 0.493 58.599 58.200 -0.157 0.000 0.927 20 S CB 0.266 63.418 63.200 -0.080 0.000 0.774 20 S HN 0.136 nan 8.310 nan 0.000 0.524 21 K N -0.737 119.453 120.400 -0.350 0.000 2.832 21 K HA 0.385 4.705 4.320 -0.000 0.000 0.279 21 K C 1.466 177.970 176.600 -0.159 0.000 2.110 21 K CA 0.627 56.730 56.287 -0.307 0.000 1.163 21 K CB -0.910 31.272 32.500 -0.530 0.000 2.731 21 K HN 0.276 nan 8.250 nan 0.000 0.582 22 G N 3.857 112.595 108.800 -0.103 0.000 2.692 22 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.339 22 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.339 22 G C 0.911 175.825 174.900 0.023 0.000 1.226 22 G CA 1.097 46.299 45.100 0.170 0.000 0.979 22 G HN 0.268 nan 8.290 nan 0.000 0.549 23 L N -1.606 119.594 121.223 -0.038 0.000 4.474 23 L HA -0.269 4.071 4.340 -0.000 0.000 0.053 23 L C 1.276 178.120 176.870 -0.044 0.000 2.806 23 L CA 2.399 57.205 54.840 -0.057 0.000 1.800 23 L CB -1.729 40.309 42.059 -0.034 0.000 2.643 23 L HN 1.091 nan 8.230 nan 0.000 0.744 24 V N 0.087 119.986 119.914 -0.025 0.000 2.488 24 V HA 0.418 4.537 4.120 -0.000 0.000 0.293 24 V C 0.373 176.481 176.094 0.023 0.000 1.027 24 V CA -0.296 62.006 62.300 0.004 0.000 0.862 24 V CB 1.636 33.454 31.823 -0.007 0.000 1.008 24 V HN 0.639 nan 8.190 nan 0.000 0.428 25 R N 1.721 122.243 120.500 0.037 0.000 2.478 25 R HA 0.148 4.488 4.340 -0.000 0.000 0.377 25 R C 1.432 177.752 176.300 0.033 0.000 0.853 25 R CA -0.187 55.934 56.100 0.035 0.000 1.113 25 R CB 0.701 31.009 30.300 0.013 0.000 1.725 25 R HN 0.630 nan 8.270 nan 0.000 0.524 26 Q N -0.346 119.471 119.800 0.029 0.000 2.124 26 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 26 Q C 0.813 176.724 176.000 -0.148 0.000 0.977 26 Q CA 1.771 57.538 55.803 -0.061 0.000 0.850 26 Q CB -0.001 28.681 28.738 -0.092 0.000 0.901 26 Q HN 0.526 nan 8.270 nan 0.000 0.429 27 H N -0.168 118.908 119.070 0.010 0.000 2.316 27 H HA 0.065 4.621 4.556 -0.000 0.000 0.314 27 H C 2.123 177.480 175.328 0.049 0.000 1.057 27 H CA 0.474 56.532 56.048 0.018 0.000 1.402 27 H CB -0.280 29.463 29.762 -0.031 0.000 1.443 27 H HN -0.035 nan 8.280 nan 0.000 0.559 28 L N 0.729 122.036 121.223 0.140 0.000 1.976 28 L HA -0.228 4.112 4.340 -0.000 0.000 0.223 28 L C 0.462 177.409 176.870 0.129 0.000 1.081 28 L CA 1.673 56.590 54.840 0.128 0.000 0.784 28 L CB -0.459 41.637 42.059 0.062 0.000 0.896 28 L HN 0.323 nan 8.230 nan 0.000 0.438 29 D N -0.870 119.575 120.400 0.075 0.000 2.662 29 D HA 0.110 4.750 4.640 -0.000 0.000 0.228 29 D C 1.125 177.455 176.300 0.050 0.000 1.093 29 D CA 0.895 54.925 54.000 0.050 0.000 1.075 29 D CB 0.329 41.147 40.800 0.029 0.000 1.122 29 D HN 0.350 nan 8.370 nan 0.000 0.475 30 S N -0.406 115.343 115.700 0.081 0.000 2.365 30 S HA -0.171 4.299 4.470 -0.000 0.000 0.126 30 S C 1.023 175.716 174.600 0.154 0.000 0.626 30 S CA -0.371 57.881 58.200 0.086 0.000 1.493 30 S CB -1.035 62.194 63.200 0.048 0.000 0.946 30 S HN 0.218 nan 8.310 nan 0.000 0.277 31 Y N 3.458 123.784 120.300 0.043 0.000 2.206 31 Y HA 0.352 4.901 4.550 -0.000 0.000 0.292 31 Y C 1.958 177.909 175.900 0.087 0.000 1.123 31 Y CA 2.146 60.266 58.100 0.032 0.000 1.142 31 Y CB -0.500 37.937 38.460 -0.038 0.000 1.006 31 Y HN 0.386 nan 8.280 nan 0.000 0.518 32 N N 0.731 119.456 118.700 0.042 0.000 2.289 32 N HA -0.197 4.543 4.740 -0.000 0.000 0.184 32 N C 1.599 177.066 175.510 -0.071 0.000 1.016 32 N CA 1.460 54.477 53.050 -0.055 0.000 0.872 32 N CB -0.523 37.975 38.487 0.018 0.000 0.973 32 N HN 0.632 nan 8.380 nan 0.000 0.433 33 D N 0.358 120.747 120.400 -0.019 0.000 2.103 33 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 33 D C 1.794 178.059 176.300 -0.059 0.000 0.978 33 D CA 0.398 54.378 54.000 -0.033 0.000 0.829 33 D CB -0.212 40.590 40.800 0.002 0.000 0.981 33 D HN 0.237 nan 8.370 nan 0.000 0.464 34 F N 1.003 120.845 119.950 -0.180 0.000 2.287 34 F HA -0.168 4.358 4.527 -0.000 0.000 0.301 34 F C 1.818 177.440 175.800 -0.296 0.000 1.069 34 F CA 1.074 58.952 58.000 -0.204 0.000 1.372 34 F CB 0.010 38.908 39.000 -0.170 0.000 1.056 34 F HN -0.080 nan 8.300 nan 0.000 0.523 35 V N 0.206 119.896 119.914 -0.373 0.000 3.565 35 V HA 0.108 4.227 4.120 -0.000 0.000 0.260 35 V C 2.107 178.000 176.094 -0.336 0.000 1.231 35 V CA 0.804 62.831 62.300 -0.455 0.000 1.100 35 V CB -0.167 31.445 31.823 -0.353 0.000 0.807 35 V HN 0.425 nan 8.190 nan 0.000 0.454 36 R N -0.259 120.090 120.500 -0.251 0.000 2.013 36 R HA 0.117 4.456 4.340 -0.000 0.000 0.198 36 R C 1.842 178.038 176.300 -0.173 0.000 1.407 36 R CA 0.810 56.801 56.100 -0.182 0.000 1.140 36 R CB -0.591 29.633 30.300 -0.127 0.000 1.011 36 R HN 0.363 nan 8.270 nan 0.000 0.472 37 N N 1.245 119.857 118.700 -0.147 0.000 2.244 37 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 37 N C 0.587 175.993 175.510 -0.173 0.000 1.016 37 N CA 1.051 54.021 53.050 -0.133 0.000 0.866 37 N CB 0.071 38.501 38.487 -0.095 0.000 0.980 37 N HN 0.099 nan 8.380 nan 0.000 0.430 38 K N -0.854 119.404 120.400 -0.236 0.000 2.380 38 K HA 0.365 4.685 4.320 -0.000 0.000 0.243 38 K C 0.657 176.961 176.600 -0.492 0.000 1.071 38 K CA -0.386 55.717 56.287 -0.306 0.000 0.942 38 K CB 0.782 33.125 32.500 -0.262 0.000 1.324 38 K HN -0.150 nan 8.250 nan 0.000 0.517 39 L N -0.361 120.491 121.223 -0.618 0.000 3.370 39 L HA -0.454 3.885 4.340 -0.000 0.000 0.308 39 L C 1.700 178.240 176.870 -0.549 0.000 4.222 39 L CA 2.789 57.151 54.840 -0.797 0.000 1.163 39 L CB -1.481 39.921 42.059 -1.095 0.000 3.373 39 L HN 0.869 nan 8.230 nan 0.000 0.809 40 Q N 0.227 119.769 119.800 -0.429 0.000 2.173 40 Q HA -0.253 4.086 4.340 -0.000 0.000 0.208 40 Q C 1.780 177.637 176.000 -0.239 0.000 0.989 40 Q CA 2.621 58.245 55.803 -0.297 0.000 0.872 40 Q CB -0.231 28.364 28.738 -0.238 0.000 0.909 40 Q HN 0.761 nan 8.270 nan 0.000 0.420 41 E N -0.410 119.650 120.200 -0.234 0.000 2.070 41 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 41 E C 1.873 178.387 176.600 -0.145 0.000 1.004 41 E CA 1.647 57.948 56.400 -0.166 0.000 0.805 41 E CB -0.288 29.322 29.700 -0.150 0.000 0.744 41 E HN 0.556 nan 8.360 nan 0.000 0.451 42 I N 0.846 121.302 120.570 -0.191 0.000 2.928 42 I HA -0.131 4.039 4.170 -0.000 0.000 0.266 42 I C 1.568 177.598 176.117 -0.144 0.000 1.234 42 I CA 0.309 61.537 61.300 -0.120 0.000 1.483 42 I CB 0.014 37.967 38.000 -0.079 0.000 1.097 42 I HN 0.059 nan 8.210 nan 0.000 0.455 43 I N 1.023 121.454 120.570 -0.232 0.000 3.749 43 I HA 0.014 4.184 4.170 -0.000 0.000 0.314 43 I C -0.050 176.023 176.117 -0.072 0.000 1.278 43 I CA 0.724 61.881 61.300 -0.238 0.000 1.158 43 I CB -1.045 36.777 38.000 -0.296 0.000 1.018 43 I HN 0.143 nan 8.210 nan 0.000 0.435 44 D N 1.050 121.418 120.400 -0.053 0.000 3.018 44 D HA 0.101 4.741 4.640 -0.000 0.000 0.331 44 D C 1.346 177.647 176.300 0.001 0.000 1.334 44 D CA 0.075 54.062 54.000 -0.022 0.000 0.900 44 D CB 0.407 41.179 40.800 -0.046 0.000 1.059 44 D HN 0.484 nan 8.370 nan 0.000 0.498 45 E N -0.312 119.922 120.200 0.056 0.000 2.452 45 E HA 0.039 4.389 4.350 -0.000 0.000 0.197 45 E C 0.363 177.002 176.600 0.064 0.000 1.022 45 E CA -0.155 56.282 56.400 0.061 0.000 0.890 45 E CB 0.581 30.365 29.700 0.140 0.000 0.918 45 E HN 0.067 nan 8.360 nan 0.000 0.496 46 Q N -0.399 119.448 119.800 0.079 0.000 0.407 46 Q HA -0.156 4.183 4.340 -0.000 0.000 0.313 46 Q C 0.184 176.236 176.000 0.086 0.000 1.086 46 Q CA 0.408 56.252 55.803 0.069 0.000 0.270 46 Q CB -1.059 27.699 28.738 0.033 0.000 5.580 46 Q HN 0.598 nan 8.270 nan 0.000 0.313 47 G N 1.580 110.420 108.800 0.067 0.000 2.382 47 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.239 47 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.239 47 G C -0.140 174.792 174.900 0.054 0.000 0.948 47 G CA 0.130 45.267 45.100 0.061 0.000 0.908 47 G HN 0.345 nan 8.290 nan 0.000 0.415 48 E N 1.773 122.000 120.200 0.046 0.000 2.392 48 E HA 0.070 4.420 4.350 -0.000 0.000 0.264 48 E C 1.225 177.834 176.600 0.016 0.000 1.024 48 E CA -0.317 56.096 56.400 0.021 0.000 0.903 48 E CB 0.609 30.303 29.700 -0.010 0.000 0.963 48 E HN 0.460 nan 8.360 nan 0.000 0.432 49 I N 3.890 124.469 120.570 0.014 0.000 3.076 49 I HA -0.205 3.965 4.170 -0.000 0.000 0.321 49 I C -1.313 174.812 176.117 0.014 0.000 1.216 49 I CA -0.485 60.825 61.300 0.018 0.000 1.460 49 I CB -0.204 37.809 38.000 0.021 0.000 1.313 49 I HN 0.401 nan 8.210 nan 0.000 0.546 50 P HA 0.005 nan 4.420 nan 0.000 0.212 50 P C 0.736 178.045 177.300 0.015 0.000 1.163 50 P CA 0.926 64.035 63.100 0.015 0.000 0.892 50 P CB 0.055 31.765 31.700 0.016 0.000 0.766 51 T N -1.251 113.313 114.554 0.017 0.000 4.700 51 T HA -0.179 4.171 4.350 -0.000 0.000 0.326 51 T C 0.139 174.847 174.700 0.013 0.000 0.923 51 T CA 1.089 63.199 62.100 0.016 0.000 2.025 51 T CB -1.937 66.942 68.868 0.018 0.000 2.058 51 T HN 0.189 nan 8.240 nan 0.000 0.896 52 E N -0.043 120.164 120.200 0.012 0.000 2.081 52 E HA 0.487 4.837 4.350 -0.000 0.000 0.276 52 E C 1.475 178.081 176.600 0.010 0.000 0.950 52 E CA -0.692 55.715 56.400 0.011 0.000 0.776 52 E CB 0.571 30.277 29.700 0.010 0.000 1.094 52 E HN 0.383 nan 8.360 nan 0.000 0.402 53 I N 3.398 123.973 120.570 0.009 0.000 2.087 53 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 53 I C -0.818 175.304 176.117 0.008 0.000 1.054 53 I CA 0.955 62.260 61.300 0.008 0.000 1.311 53 I CB -1.116 36.888 38.000 0.007 0.000 1.024 53 I HN 0.337 nan 8.210 nan 0.000 0.402 54 P HA 0.065 nan 4.420 nan 0.000 0.269 54 P C 0.038 177.343 177.300 0.009 0.000 1.252 54 P CA 0.149 63.254 63.100 0.008 0.000 0.780 54 P CB 0.161 31.865 31.700 0.008 0.000 0.829 55 G N 3.932 112.738 108.800 0.010 0.000 2.689 55 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.298 55 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.298 55 G C -0.203 174.704 174.900 0.012 0.000 0.527 55 G CA -0.087 45.020 45.100 0.011 0.000 1.247 55 G HN 0.604 nan 8.290 nan 0.000 0.232 56 L N 2.381 123.612 121.223 0.012 0.000 2.324 56 L HA 0.624 4.963 4.340 -0.000 0.000 0.274 56 L C -0.010 176.868 176.870 0.013 0.000 1.012 56 L CA -0.584 54.263 54.840 0.012 0.000 0.859 56 L CB 0.725 42.790 42.059 0.010 0.000 1.224 56 L HN 0.382 nan 8.230 nan 0.000 0.429 57 K N 3.263 123.672 120.400 0.015 0.000 2.400 57 K HA 0.787 5.107 4.320 -0.000 0.000 0.246 57 K C -1.518 175.095 176.600 0.021 0.000 0.995 57 K CA -1.055 55.243 56.287 0.018 0.000 0.840 57 K CB 2.802 35.314 32.500 0.020 0.000 1.293 57 K HN 0.221 nan 8.250 nan 0.000 0.445 58 V N 1.971 121.901 119.914 0.027 0.000 2.409 58 V HA 0.376 4.495 4.120 -0.000 0.000 0.290 58 V C -0.580 175.544 176.094 0.050 0.000 1.017 58 V CA -0.878 61.444 62.300 0.036 0.000 0.841 58 V CB 1.199 33.043 31.823 0.035 0.000 1.003 58 V HN 0.607 nan 8.190 nan 0.000 0.426 59 R N 4.127 124.655 120.500 0.046 0.000 2.297 59 R HA 0.675 5.015 4.340 -0.000 0.000 0.308 59 R C -1.003 175.332 176.300 0.058 0.000 1.029 59 R CA -0.587 55.542 56.100 0.048 0.000 0.929 59 R CB 1.436 31.756 30.300 0.033 0.000 1.046 59 R HN 0.577 nan 8.270 nan 0.000 0.461 60 L N 2.029 123.293 121.223 0.069 0.000 2.289 60 L HA 0.355 4.695 4.340 -0.000 0.000 0.285 60 L C 1.262 178.154 176.870 0.036 0.000 1.049 60 L CA -0.329 54.558 54.840 0.078 0.000 0.804 60 L CB 1.549 43.681 42.059 0.121 0.000 1.195 60 L HN 0.791 nan 8.230 nan 0.000 0.428 61 G N 2.842 111.655 108.800 0.023 0.000 3.056 61 G HA2 0.226 4.185 3.960 -0.000 0.000 0.175 61 G HA3 0.226 4.185 3.960 -0.000 0.000 0.175 61 G C -0.189 174.688 174.900 -0.039 0.000 1.894 61 G CA -0.185 44.907 45.100 -0.013 0.000 0.910 61 G HN 0.500 nan 8.290 nan 0.000 0.462 62 K N -0.322 120.038 120.400 -0.067 0.000 2.371 62 K HA 0.520 4.840 4.320 -0.000 0.000 0.251 62 K C -0.972 175.557 176.600 -0.117 0.000 0.934 62 K CA -0.490 55.733 56.287 -0.108 0.000 0.798 62 K CB 2.703 35.119 32.500 -0.140 0.000 1.204 62 K HN 0.213 nan 8.250 nan 0.000 0.427 63 I N 3.922 124.414 120.570 -0.131 0.000 2.385 63 I HA 0.385 4.554 4.170 -0.000 0.000 0.294 63 I C 0.291 176.320 176.117 -0.147 0.000 0.988 63 I CA -0.871 60.363 61.300 -0.109 0.000 1.265 63 I CB 0.880 38.809 38.000 -0.118 0.000 1.388 63 I HN 0.503 nan 8.210 nan 0.000 0.480 64 R N 6.096 126.530 120.500 -0.110 0.000 2.919 64 R HA 0.687 5.026 4.340 -0.000 0.000 0.260 64 R C -0.880 175.543 176.300 0.204 0.000 1.067 64 R CA -0.786 55.266 56.100 -0.079 0.000 1.003 64 R CB 1.673 31.792 30.300 -0.301 0.000 1.192 64 R HN 0.350 nan 8.270 nan 0.000 0.488 65 I N -0.702 119.977 120.570 0.181 0.000 3.062 65 I HA 0.603 4.773 4.170 -0.000 0.000 0.316 65 I C 0.923 177.224 176.117 0.306 0.000 1.041 65 I CA -0.823 60.600 61.300 0.206 0.000 1.069 65 I CB 0.969 39.029 38.000 0.100 0.000 1.300 65 I HN 0.836 nan 8.210 nan 0.000 0.518 66 G N 1.357 110.287 108.800 0.216 0.000 3.122 66 G HA2 0.555 4.515 3.960 -0.000 0.000 0.180 66 G HA3 0.555 4.515 3.960 -0.000 0.000 0.180 66 G C -0.699 174.266 174.900 0.109 0.000 1.279 66 G CA -0.545 44.665 45.100 0.183 0.000 0.987 66 G HN 0.537 nan 8.290 nan 0.000 0.589 67 K N 0.584 121.022 120.400 0.064 0.000 2.211 67 K HA 0.463 4.783 4.320 -0.000 0.000 0.237 67 K C -2.549 174.027 176.600 -0.041 0.000 1.002 67 K CA -1.612 54.688 56.287 0.022 0.000 0.885 67 K CB 1.843 34.360 32.500 0.028 0.000 1.136 67 K HN 0.209 nan 8.250 nan 0.000 0.448 68 P HA 0.150 nan 4.420 nan 0.000 0.276 68 P C -1.085 176.119 177.300 -0.160 0.000 1.253 68 P CA 0.055 63.004 63.100 -0.251 0.000 0.766 68 P CB 0.750 32.129 31.700 -0.534 0.000 0.845 69 R N 1.543 121.972 120.500 -0.119 0.000 2.912 69 R HA 0.764 5.104 4.340 -0.000 0.000 0.262 69 R C -0.651 175.620 176.300 -0.049 0.000 1.057 69 R CA -1.133 54.924 56.100 -0.072 0.000 0.981 69 R CB 2.310 32.572 30.300 -0.064 0.000 1.201 69 R HN 0.314 nan 8.270 nan 0.000 0.484 70 V N -1.605 118.290 119.914 -0.032 0.000 2.888 70 V HA 0.610 4.730 4.120 -0.000 0.000 0.309 70 V C -0.469 175.615 176.094 -0.016 0.000 1.114 70 V CA -1.095 61.198 62.300 -0.012 0.000 0.940 70 V CB 1.822 33.647 31.823 0.003 0.000 1.021 70 V HN 0.858 nan 8.190 nan 0.000 0.426 71 R N 1.280 121.775 120.500 -0.009 0.000 2.779 71 R HA -0.103 4.236 4.340 -0.000 0.000 0.301 71 R C -0.206 176.079 176.300 -0.025 0.000 0.963 71 R CA 0.857 56.950 56.100 -0.012 0.000 0.683 71 R CB -0.503 29.791 30.300 -0.009 0.000 1.794 71 R HN 1.191 nan 8.270 nan 0.000 0.458 72 E N 1.391 121.575 120.200 -0.027 0.000 2.322 72 E HA 0.432 4.782 4.350 -0.000 0.000 0.257 72 E C -0.054 176.530 176.600 -0.027 0.000 1.155 72 E CA -0.213 56.163 56.400 -0.039 0.000 0.936 72 E CB 0.613 30.287 29.700 -0.044 0.000 1.130 72 E HN 0.570 nan 8.360 nan 0.000 0.465 73 S N -0.098 115.584 115.700 -0.031 0.000 3.255 73 S HA -0.251 4.218 4.470 -0.000 0.000 0.358 73 S C 0.067 174.657 174.600 -0.017 0.000 0.915 73 S CA 1.022 59.209 58.200 -0.022 0.000 1.335 73 S CB -1.396 61.796 63.200 -0.014 0.000 0.938 73 S HN 0.823 nan 8.310 nan 0.000 0.550 74 D N 0.404 120.792 120.400 -0.019 0.000 2.649 74 D HA -0.069 4.570 4.640 -0.000 0.000 0.507 74 D C -0.666 175.624 176.300 -0.017 0.000 1.091 74 D CA -0.084 53.907 54.000 -0.014 0.000 1.076 74 D CB 0.155 40.948 40.800 -0.012 0.000 1.647 74 D HN 0.494 nan 8.370 nan 0.000 0.356 75 R N 0.150 120.636 120.500 -0.024 0.000 2.362 75 R HA -0.109 4.230 4.340 -0.000 0.000 0.325 75 R C 0.413 176.697 176.300 -0.027 0.000 1.082 75 R CA 1.101 57.184 56.100 -0.028 0.000 0.940 75 R CB -2.197 28.090 30.300 -0.023 0.000 2.664 75 R HN 0.434 nan 8.270 nan 0.000 0.501 76 G N 0.582 109.362 108.800 -0.035 0.000 2.573 76 G HA2 0.208 4.168 3.960 -0.000 0.000 0.178 76 G HA3 0.208 4.168 3.960 -0.000 0.000 0.178 76 G C -0.744 174.130 174.900 -0.043 0.000 1.706 76 G CA -0.104 44.977 45.100 -0.032 0.000 0.760 76 G HN 0.342 nan 8.290 nan 0.000 0.778 77 E N 0.768 120.935 120.200 -0.055 0.000 2.273 77 E HA -0.170 4.180 4.350 -0.000 0.000 0.177 77 E C 0.040 176.609 176.600 -0.053 0.000 1.511 77 E CA 0.741 57.099 56.400 -0.071 0.000 0.675 77 E CB -0.602 29.036 29.700 -0.103 0.000 1.094 77 E HN 0.508 nan 8.360 nan 0.000 0.348 78 R N 0.386 120.862 120.500 -0.039 0.000 2.892 78 R HA 0.476 4.816 4.340 -0.000 0.000 0.265 78 R C -0.358 175.927 176.300 -0.025 0.000 1.025 78 R CA -0.622 55.462 56.100 -0.026 0.000 0.982 78 R CB 1.452 31.742 30.300 -0.016 0.000 1.185 78 R HN 0.063 nan 8.270 nan 0.000 0.484 79 E N 1.575 121.766 120.200 -0.016 0.000 2.221 79 E HA 0.431 4.781 4.350 -0.000 0.000 0.268 79 E C -0.891 175.707 176.600 -0.003 0.000 0.933 79 E CA -0.678 55.712 56.400 -0.018 0.000 0.809 79 E CB 2.029 31.724 29.700 -0.008 0.000 1.190 79 E HN 0.393 nan 8.360 nan 0.000 0.406 80 I N -1.040 119.523 120.570 -0.012 0.000 2.608 80 I HA 0.471 4.641 4.170 -0.000 0.000 0.295 80 I C -0.170 175.988 176.117 0.068 0.000 1.049 80 I CA -1.042 60.273 61.300 0.025 0.000 1.063 80 I CB 2.053 40.072 38.000 0.032 0.000 1.248 80 I HN 0.239 nan 8.210 nan 0.000 0.424 81 S N 4.778 120.530 115.700 0.086 0.000 2.584 81 S HA 0.398 4.868 4.470 -0.000 0.000 0.273 81 S C -1.325 173.382 174.600 0.178 0.000 1.311 81 S CA -1.450 56.806 58.200 0.095 0.000 1.034 81 S CB 0.967 64.187 63.200 0.033 0.000 0.939 81 S HN 0.603 nan 8.310 nan 0.000 0.513 82 P HA -0.078 nan 4.420 nan 0.000 0.218 82 P C 1.187 178.480 177.300 -0.011 0.000 1.149 82 P CA 0.957 64.069 63.100 0.020 0.000 0.817 82 P CB 0.022 31.593 31.700 -0.216 0.000 0.785 83 M N -0.511 119.084 119.600 -0.009 0.000 2.722 83 M HA 0.003 4.483 4.480 -0.000 0.000 0.238 83 M C 1.431 177.738 176.300 0.012 0.000 1.098 83 M CA 0.899 56.193 55.300 -0.010 0.000 1.062 83 M CB -1.048 31.533 32.600 -0.032 0.000 1.573 83 M HN 0.069 nan 8.290 nan 0.000 0.531 84 E N -0.469 119.758 120.200 0.045 0.000 2.110 84 E HA 0.109 4.459 4.350 -0.000 0.000 0.194 84 E C 1.879 178.521 176.600 0.071 0.000 0.944 84 E CA 0.609 57.041 56.400 0.053 0.000 0.899 84 E CB -0.048 29.689 29.700 0.061 0.000 0.907 84 E HN 0.380 nan 8.360 nan 0.000 0.473 85 A N 1.792 124.686 122.820 0.122 0.000 2.054 85 A HA -0.277 4.043 4.320 -0.000 0.000 0.223 85 A C 2.027 179.663 177.584 0.087 0.000 1.169 85 A CA 1.697 53.817 52.037 0.140 0.000 0.655 85 A CB -0.547 18.615 19.000 0.270 0.000 0.812 85 A HN 0.091 nan 8.150 nan 0.000 0.462 86 R N -1.343 119.190 120.500 0.056 0.000 2.080 86 R HA 0.176 4.515 4.340 -0.000 0.000 0.222 86 R C 1.964 178.283 176.300 0.031 0.000 1.107 86 R CA 1.029 57.151 56.100 0.037 0.000 0.980 86 R CB -0.281 30.032 30.300 0.021 0.000 0.879 86 R HN 0.513 nan 8.270 nan 0.000 0.439 87 L N 0.104 121.343 121.223 0.027 0.000 2.217 87 L HA -0.044 4.296 4.340 -0.000 0.000 0.211 87 L C 2.186 179.073 176.870 0.029 0.000 1.107 87 L CA 0.921 55.773 54.840 0.020 0.000 0.783 87 L CB -0.035 42.031 42.059 0.010 0.000 0.919 87 L HN 0.050 nan 8.230 nan 0.000 0.442 88 R N 0.054 120.577 120.500 0.038 0.000 2.312 88 R HA 0.114 4.454 4.340 -0.000 0.000 0.205 88 R C -0.017 176.310 176.300 0.046 0.000 0.904 88 R CA 0.032 56.156 56.100 0.041 0.000 1.052 88 R CB -0.118 30.209 30.300 0.044 0.000 1.014 88 R HN 0.400 nan 8.270 nan 0.000 0.503 89 N N 0.657 119.387 118.700 0.050 0.000 2.738 89 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 89 N C -1.302 174.246 175.510 0.063 0.000 1.047 89 N CA 0.034 53.116 53.050 0.053 0.000 0.707 89 N CB -0.542 37.972 38.487 0.044 0.000 0.937 89 N HN -0.033 nan 8.380 nan 0.000 0.545 90 L N -0.656 120.615 121.223 0.080 0.000 2.319 90 L HA 0.394 4.734 4.340 -0.000 0.000 0.267 90 L C 1.579 178.528 176.870 0.131 0.000 1.011 90 L CA -0.179 54.716 54.840 0.092 0.000 0.818 90 L CB 1.506 43.615 42.059 0.084 0.000 1.316 90 L HN 0.020 nan 8.230 nan 0.000 0.432 91 T N 0.170 114.800 114.554 0.128 0.000 3.160 91 T HA -0.056 4.294 4.350 -0.000 0.000 0.257 91 T C 0.237 175.081 174.700 0.240 0.000 1.147 91 T CA 0.089 62.283 62.100 0.157 0.000 1.064 91 T CB -0.805 68.133 68.868 0.116 0.000 0.949 91 T HN 0.430 nan 8.240 nan 0.000 0.526 92 Y N 1.492 121.838 120.300 0.075 0.000 2.986 92 Y HA -0.246 4.304 4.550 -0.000 0.000 0.200 92 Y C 0.426 176.394 175.900 0.113 0.000 1.324 92 Y CA -0.154 57.995 58.100 0.080 0.000 0.825 92 Y CB -1.447 37.055 38.460 0.070 0.000 1.251 92 Y HN 0.420 nan 8.280 nan 0.000 0.413 93 A N 1.965 124.802 122.820 0.029 0.000 2.468 93 A HA 1.037 5.356 4.320 -0.000 0.000 0.277 93 A C -0.351 177.220 177.584 -0.021 0.000 1.203 93 A CA -0.269 51.808 52.037 0.067 0.000 0.932 93 A CB 1.218 20.289 19.000 0.118 0.000 1.438 93 A HN 1.418 nan 8.150 nan 0.000 0.468 94 A N -0.479 122.379 122.820 0.063 0.000 2.515 94 A HA 0.895 5.215 4.320 -0.000 0.000 0.296 94 A C -3.135 174.512 177.584 0.104 0.000 1.094 94 A CA -1.674 50.395 52.037 0.054 0.000 0.718 94 A CB 1.620 20.663 19.000 0.072 0.000 1.307 94 A HN 0.527 nan 8.150 nan 0.000 0.408 95 P HA 0.522 nan 4.420 nan 0.000 0.287 95 P C -1.090 176.355 177.300 0.241 0.000 1.270 95 P CA -0.409 62.795 63.100 0.174 0.000 0.844 95 P CB 0.997 32.762 31.700 0.108 0.000 1.068 96 L N 2.760 124.120 121.223 0.228 0.000 2.255 96 L HA 0.242 4.582 4.340 -0.000 0.000 0.289 96 L C 1.193 177.907 176.870 -0.260 0.000 1.046 96 L CA -0.574 54.317 54.840 0.086 0.000 0.816 96 L CB 0.357 42.494 42.059 0.130 0.000 1.197 96 L HN 0.484 nan 8.230 nan 0.000 0.427 97 W N 3.545 124.463 121.300 -0.637 0.000 1.601 97 W HA -0.085 4.574 4.660 -0.000 0.000 0.279 97 W C 0.741 176.932 176.519 -0.546 0.000 0.890 97 W CA 0.761 57.474 57.345 -1.053 0.000 0.945 97 W CB 0.068 29.217 29.460 -0.518 0.000 1.061 97 W HN 0.281 nan 8.180 nan 0.000 0.521 98 L N 0.294 121.542 121.223 0.041 0.000 1.152 98 L HA -0.191 4.149 4.340 -0.000 0.000 0.395 98 L C -1.013 175.910 176.870 0.088 0.000 1.003 98 L CA 0.824 55.692 54.840 0.046 0.000 1.222 98 L CB -1.319 40.789 42.059 0.082 0.000 0.742 98 L HN 0.303 nan 8.230 nan 0.000 0.402 99 T N 7.978 122.569 114.554 0.062 0.000 3.254 99 T HA 0.479 4.829 4.350 -0.000 0.000 0.385 99 T C 0.633 175.377 174.700 0.074 0.000 1.528 99 T CA -0.285 61.857 62.100 0.069 0.000 1.212 99 T CB 0.005 68.876 68.868 0.005 0.000 1.145 99 T HN 0.453 nan 8.240 nan 0.000 0.631 100 M N 2.634 122.296 119.600 0.103 0.000 2.241 100 M HA 0.456 4.936 4.480 -0.000 0.000 0.335 100 M C -0.252 176.093 176.300 0.074 0.000 1.122 100 M CA 0.090 55.448 55.300 0.098 0.000 1.164 100 M CB 0.771 33.442 32.600 0.118 0.000 1.459 100 M HN 0.377 nan 8.290 nan 0.000 0.461 101 I N 3.628 124.234 120.570 0.060 0.000 2.468 101 I HA 0.376 4.546 4.170 -0.000 0.000 0.285 101 I C -2.356 173.787 176.117 0.042 0.000 1.039 101 I CA -2.021 59.307 61.300 0.046 0.000 1.074 101 I CB 1.902 39.923 38.000 0.035 0.000 1.228 101 I HN 0.356 nan 8.210 nan 0.000 0.436 102 P HA 0.281 nan 4.420 nan 0.000 0.276 102 P C -0.663 176.652 177.300 0.025 0.000 1.244 102 P CA -0.370 62.749 63.100 0.031 0.000 0.801 102 P CB 1.168 32.886 31.700 0.029 0.000 1.006 103 V N 1.462 121.389 119.914 0.021 0.000 2.811 103 V HA 0.080 4.200 4.120 -0.000 0.000 0.266 103 V C 0.178 176.281 176.094 0.015 0.000 0.872 103 V CA -0.234 62.077 62.300 0.018 0.000 0.992 103 V CB 0.319 32.154 31.823 0.019 0.000 1.016 103 V HN 0.502 nan 8.190 nan 0.000 0.496 104 E N 2.606 122.815 120.200 0.014 0.000 2.545 104 E HA 0.260 4.610 4.350 -0.000 0.000 0.271 104 E C 0.909 177.516 176.600 0.011 0.000 1.508 104 E CA -0.044 56.363 56.400 0.012 0.000 1.774 104 E CB -0.081 29.626 29.700 0.011 0.000 1.460 104 E HN 0.677 nan 8.360 nan 0.000 0.449 105 N N 0.500 119.207 118.700 0.011 0.000 2.465 105 N HA -0.118 4.621 4.740 -0.000 0.000 0.162 105 N C -0.824 174.692 175.510 0.010 0.000 1.661 105 N CA 0.572 53.629 53.050 0.010 0.000 3.294 105 N CB -0.327 38.166 38.487 0.009 0.000 1.505 105 N HN 0.477 nan 8.380 nan 0.000 1.131 106 N N 0.506 119.212 118.700 0.011 0.000 3.227 106 N HA 0.202 4.942 4.740 -0.000 0.000 0.241 106 N C -1.216 174.302 175.510 0.012 0.000 1.480 106 N CA -0.508 52.548 53.050 0.011 0.000 0.886 106 N CB 1.422 39.915 38.487 0.009 0.000 1.406 106 N HN 0.100 nan 8.380 nan 0.000 0.514 107 I N 0.712 121.289 120.570 0.012 0.000 2.471 107 I HA 0.068 4.238 4.170 -0.000 0.000 0.286 107 I C -0.296 175.829 176.117 0.014 0.000 1.079 107 I CA 0.542 61.850 61.300 0.013 0.000 1.398 107 I CB 0.011 38.018 38.000 0.011 0.000 1.403 107 I HN 0.776 nan 8.210 nan 0.000 0.530 108 E N 5.629 125.839 120.200 0.017 0.000 2.090 108 E HA 0.697 5.046 4.350 -0.000 0.000 0.221 108 E C 0.332 176.945 176.600 0.022 0.000 1.323 108 E CA -0.088 56.323 56.400 0.018 0.000 0.934 108 E CB -0.175 29.535 29.700 0.016 0.000 1.828 108 E HN 0.601 nan 8.360 nan 0.000 0.519 109 A N -0.089 122.745 122.820 0.023 0.000 4.191 109 A HA -0.459 3.861 4.320 -0.000 0.000 0.361 109 A C 0.215 177.818 177.584 0.031 0.000 1.622 109 A CA 2.495 54.549 52.037 0.029 0.000 0.840 109 A CB -2.406 16.614 19.000 0.034 0.000 1.507 109 A HN 1.030 nan 8.150 nan 0.000 0.562 110 E N -2.209 118.012 120.200 0.035 0.000 7.490 110 E HA -0.138 4.212 4.350 -0.000 0.000 0.427 110 E C -1.924 174.698 176.600 0.038 0.000 0.456 110 E CA 0.350 56.770 56.400 0.033 0.000 0.812 110 E CB -0.359 29.355 29.700 0.023 0.000 0.952 110 E HN 0.564 nan 8.360 nan 0.000 0.270 111 P HA -0.050 nan 4.420 nan 0.000 0.213 111 P C -0.675 176.667 177.300 0.070 0.000 1.176 111 P CA 0.796 63.926 63.100 0.051 0.000 0.894 111 P CB 0.241 31.973 31.700 0.052 0.000 0.771 112 E N -0.384 119.873 120.200 0.093 0.000 3.994 112 E HA -0.101 4.249 4.350 -0.000 0.000 0.187 112 E C -1.254 175.434 176.600 0.147 0.000 1.293 112 E CA -0.134 56.334 56.400 0.112 0.000 0.951 112 E CB -1.704 28.049 29.700 0.088 0.000 1.073 112 E HN 0.305 nan 8.360 nan 0.000 0.401 113 E N 1.861 122.186 120.200 0.209 0.000 1.833 113 E HA 0.145 4.495 4.350 -0.000 0.000 0.258 113 E C -0.139 176.622 176.600 0.268 0.000 1.257 113 E CA 0.011 56.586 56.400 0.291 0.000 1.003 113 E CB 0.573 30.614 29.700 0.568 0.000 1.068 113 E HN 0.137 nan 8.360 nan 0.000 0.422 114 V N 4.022 124.056 119.914 0.201 0.000 2.432 114 V HA 0.056 4.176 4.120 -0.000 0.000 0.271 114 V C -0.148 176.062 176.094 0.192 0.000 1.046 114 V CA -0.591 61.836 62.300 0.211 0.000 0.945 114 V CB -0.391 31.545 31.823 0.188 0.000 0.992 114 V HN 0.492 nan 8.190 nan 0.000 0.471 115 Y N 4.593 124.936 120.300 0.073 0.000 2.309 115 Y HA 0.312 4.862 4.550 -0.000 0.000 0.327 115 Y C 1.053 176.996 175.900 0.072 0.000 1.172 115 Y CA -0.321 57.802 58.100 0.038 0.000 1.280 115 Y CB 1.001 39.422 38.460 -0.064 0.000 1.234 115 Y HN 0.403 nan 8.280 nan 0.000 0.512 116 I N 0.203 120.858 120.570 0.142 0.000 3.570 116 I HA 0.288 4.458 4.170 -0.000 0.000 0.270 116 I C 1.162 177.247 176.117 -0.053 0.000 1.162 116 I CA 0.724 62.008 61.300 -0.027 0.000 1.413 116 I CB -0.690 37.190 38.000 -0.200 0.000 1.437 116 I HN 0.669 nan 8.210 nan 0.000 0.457 117 G N -0.090 108.726 108.800 0.027 0.000 3.166 117 G HA2 0.484 4.444 3.960 -0.000 0.000 0.267 117 G HA3 0.484 4.444 3.960 -0.000 0.000 0.267 117 G C -1.890 173.074 174.900 0.107 0.000 1.256 117 G CA -0.082 45.048 45.100 0.050 0.000 0.859 117 G HN 0.056 nan 8.290 nan 0.000 0.590 118 D N -0.575 119.892 120.400 0.111 0.000 2.620 118 D HA 0.461 5.101 4.640 -0.000 0.000 0.252 118 D C -0.965 175.437 176.300 0.170 0.000 1.207 118 D CA -0.315 53.759 54.000 0.124 0.000 0.884 118 D CB 2.158 43.010 40.800 0.088 0.000 1.262 118 D HN 0.325 nan 8.370 nan 0.000 0.552 119 L N 4.677 126.031 121.223 0.217 0.000 2.264 119 L HA 0.595 4.935 4.340 -0.000 0.000 0.289 119 L C -2.575 174.492 176.870 0.329 0.000 1.044 119 L CA -1.689 53.341 54.840 0.316 0.000 0.807 119 L CB 0.987 43.265 42.059 0.365 0.000 1.192 119 L HN 0.167 nan 8.230 nan 0.000 0.425 120 P HA 0.110 nan 4.420 nan 0.000 0.267 120 P C -0.922 176.712 177.300 0.558 0.000 1.205 120 P CA 0.122 63.471 63.100 0.414 0.000 0.765 120 P CB 0.350 32.252 31.700 0.337 0.000 0.828 121 I N 4.082 124.971 120.570 0.532 0.000 2.336 121 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 121 I C 0.628 176.981 176.117 0.394 0.000 0.991 121 I CA -0.810 60.787 61.300 0.495 0.000 1.227 121 I CB 0.850 39.039 38.000 0.314 0.000 1.366 121 I HN 0.385 nan 8.210 nan 0.000 0.466 122 M N 5.181 124.767 119.600 -0.022 0.000 2.233 122 M HA 0.217 4.697 4.480 -0.000 0.000 0.350 122 M C -0.471 175.582 176.300 -0.412 0.000 1.176 122 M CA -0.664 54.145 55.300 -0.818 0.000 1.150 122 M CB 0.858 32.421 32.600 -1.729 0.000 1.530 122 M HN 0.280 nan 8.290 nan 0.000 0.459 123 L N 4.478 125.338 121.223 -0.605 0.000 2.476 123 L HA 0.068 4.408 4.340 -0.000 0.000 0.264 123 L C 1.216 177.917 176.870 -0.281 0.000 1.224 123 L CA 0.941 55.495 54.840 -0.476 0.000 0.821 123 L CB 0.052 41.606 42.059 -0.841 0.000 1.101 123 L HN 0.770 nan 8.230 nan 0.000 0.488 124 K N -0.869 119.433 120.400 -0.163 0.000 3.076 124 K HA -0.254 4.066 4.320 -0.000 0.000 0.291 124 K C 0.243 176.832 176.600 -0.018 0.000 1.118 124 K CA 1.050 57.297 56.287 -0.067 0.000 0.866 124 K CB -0.864 31.596 32.500 -0.067 0.000 1.216 124 K HN 0.834 nan 8.250 nan 0.000 0.444 125 S N -1.071 114.625 115.700 -0.006 0.000 2.593 125 S HA 0.421 4.891 4.470 -0.000 0.000 0.269 125 S C 1.562 176.217 174.600 0.092 0.000 1.334 125 S CA -0.166 58.083 58.200 0.082 0.000 1.015 125 S CB 1.731 65.070 63.200 0.231 0.000 0.912 125 S HN 0.261 nan 8.310 nan 0.000 0.541 126 A N 1.894 124.763 122.820 0.082 0.000 1.869 126 A HA -0.175 4.144 4.320 -0.000 0.000 0.218 126 A C 2.053 179.669 177.584 0.054 0.000 1.203 126 A CA 2.024 54.090 52.037 0.048 0.000 0.638 126 A CB -1.184 17.826 19.000 0.016 0.000 0.831 126 A HN 1.006 nan 8.150 nan 0.000 0.450 127 I N 0.303 120.908 120.570 0.058 0.000 2.493 127 I HA -0.091 4.079 4.170 -0.000 0.000 0.254 127 I C 0.599 176.775 176.117 0.098 0.000 1.160 127 I CA 0.718 62.052 61.300 0.057 0.000 1.445 127 I CB -0.399 37.615 38.000 0.024 0.000 1.086 127 I HN 0.388 nan 8.210 nan 0.000 0.433 128 D N 0.688 121.167 120.400 0.132 0.000 2.434 128 D HA 0.001 4.641 4.640 -0.000 0.000 0.252 128 D C -1.623 174.755 176.300 0.131 0.000 1.185 128 D CA -1.379 52.705 54.000 0.140 0.000 0.886 128 D CB 1.063 41.950 40.800 0.146 0.000 1.148 128 D HN 0.046 nan 8.370 nan 0.000 0.483 129 P HA -0.167 nan 4.420 nan 0.000 0.218 129 P C 1.245 178.749 177.300 0.340 0.000 1.146 129 P CA 1.113 64.326 63.100 0.189 0.000 0.820 129 P CB 0.046 31.853 31.700 0.179 0.000 0.778 130 I N -1.494 119.230 120.570 0.257 0.000 2.286 130 I HA -0.243 3.926 4.170 -0.000 0.000 0.248 130 I C 2.431 178.709 176.117 0.269 0.000 1.115 130 I CA 1.251 62.662 61.300 0.184 0.000 1.392 130 I CB -1.044 36.925 38.000 -0.052 0.000 1.065 130 I HN -0.006 nan 8.210 nan 0.000 0.418 131 S N 0.336 116.135 115.700 0.164 0.000 2.408 131 S HA -0.254 4.216 4.470 -0.000 0.000 0.241 131 S C 1.422 176.101 174.600 0.132 0.000 1.080 131 S CA 1.707 59.975 58.200 0.112 0.000 1.109 131 S CB -0.128 63.121 63.200 0.081 0.000 0.966 131 S HN 0.406 nan 8.310 nan 0.000 0.449 132 Q N 0.489 120.383 119.800 0.157 0.000 2.647 132 Q HA 0.328 4.668 4.340 -0.000 0.000 0.400 132 Q C -1.668 174.366 176.000 0.056 0.000 0.959 132 Q CA -0.057 55.798 55.803 0.087 0.000 1.079 132 Q CB 0.443 29.189 28.738 0.014 0.000 1.351 132 Q HN 0.521 nan 8.270 nan 0.000 0.411 133 Y N -0.590 119.714 120.300 0.007 0.000 2.420 133 Y HA 0.343 4.893 4.550 -0.000 0.000 0.334 133 Y C 0.993 176.895 175.900 0.003 0.000 1.094 133 Y CA -0.694 57.410 58.100 0.006 0.000 1.126 133 Y CB 1.530 39.994 38.460 0.007 0.000 1.217 133 Y HN -0.068 nan 8.280 nan 0.000 0.462 134 T N 2.597 117.240 114.554 0.148 0.000 2.899 134 T HA 0.111 4.461 4.350 -0.000 0.000 0.295 134 T C 1.446 176.203 174.700 0.094 0.000 1.033 134 T CA -0.270 61.883 62.100 0.089 0.000 1.084 134 T CB 0.318 69.214 68.868 0.047 0.000 0.979 134 T HN 0.798 nan 8.240 nan 0.000 0.532 135 L N 3.058 124.315 121.223 0.056 0.000 2.064 135 L HA -0.285 4.055 4.340 -0.000 0.000 0.234 135 L C 2.311 179.200 176.870 0.032 0.000 1.103 135 L CA 2.387 57.248 54.840 0.034 0.000 0.824 135 L CB -0.400 41.670 42.059 0.018 0.000 0.919 135 L HN 0.797 nan 8.230 nan 0.000 0.447 136 D N -0.807 119.612 120.400 0.031 0.000 2.228 136 D HA -0.217 4.423 4.640 -0.000 0.000 0.203 136 D C 2.056 178.384 176.300 0.047 0.000 0.988 136 D CA 1.237 55.253 54.000 0.027 0.000 0.864 136 D CB -0.025 40.788 40.800 0.022 0.000 0.928 136 D HN 0.450 nan 8.370 nan 0.000 0.469 137 K N 0.145 120.600 120.400 0.092 0.000 2.296 137 K HA -0.052 4.267 4.320 -0.000 0.000 0.200 137 K C 2.051 178.724 176.600 0.123 0.000 1.048 137 K CA 0.189 56.579 56.287 0.171 0.000 0.966 137 K CB 0.183 32.863 32.500 0.301 0.000 0.754 137 K HN 0.093 nan 8.250 nan 0.000 0.466 138 L N 0.440 121.680 121.223 0.028 0.000 2.162 138 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 138 L C 2.002 178.828 176.870 -0.073 0.000 1.086 138 L CA 0.897 55.678 54.840 -0.098 0.000 0.778 138 L CB -0.300 41.702 42.059 -0.094 0.000 0.928 138 L HN 0.046 nan 8.230 nan 0.000 0.446 139 I N -0.252 120.296 120.570 -0.037 0.000 2.194 139 I HA -0.330 3.839 4.170 -0.000 0.000 0.246 139 I C 2.330 178.426 176.117 -0.034 0.000 1.093 139 I CA 1.427 62.704 61.300 -0.039 0.000 1.355 139 I CB -0.458 37.525 38.000 -0.028 0.000 1.046 139 I HN 0.344 nan 8.210 nan 0.000 0.413 140 E N 1.077 121.270 120.200 -0.013 0.000 2.058 140 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 140 E C 2.298 178.887 176.600 -0.018 0.000 0.997 140 E CA 1.449 57.849 56.400 -0.001 0.000 0.801 140 E CB -0.242 29.479 29.700 0.036 0.000 0.746 140 E HN 0.496 nan 8.360 nan 0.000 0.450 141 I N -0.127 120.414 120.570 -0.049 0.000 2.194 141 I HA -0.210 3.960 4.170 -0.000 0.000 0.246 141 I C 1.709 177.788 176.117 -0.064 0.000 1.093 141 I CA 1.495 62.746 61.300 -0.082 0.000 1.355 141 I CB -0.221 37.660 38.000 -0.198 0.000 1.046 141 I HN 0.388 nan 8.210 nan 0.000 0.413 142 G N 0.749 109.507 108.800 -0.070 0.000 2.174 142 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.140 142 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.140 142 G C -0.030 174.826 174.900 -0.074 0.000 1.031 142 G CA 0.005 45.067 45.100 -0.064 0.000 0.728 142 G HN 0.512 nan 8.290 nan 0.000 0.496 143 E N 0.224 120.376 120.200 -0.079 0.000 2.393 143 E HA 0.590 4.939 4.350 -0.000 0.000 0.265 143 E C -1.154 175.406 176.600 -0.068 0.000 0.941 143 E CA -0.866 55.490 56.400 -0.073 0.000 0.801 143 E CB 1.256 30.918 29.700 -0.064 0.000 1.313 143 E HN 0.072 nan 8.360 nan 0.000 0.435 144 D N 1.284 121.650 120.400 -0.056 0.000 2.325 144 D HA 0.065 4.704 4.640 -0.000 0.000 0.251 144 D C -1.522 174.763 176.300 -0.025 0.000 1.196 144 D CA -1.929 52.040 54.000 -0.053 0.000 0.866 144 D CB 1.240 41.997 40.800 -0.073 0.000 1.101 144 D HN 0.188 nan 8.370 nan 0.000 0.476 145 P HA -0.132 nan 4.420 nan 0.000 0.222 145 P C 0.824 178.135 177.300 0.019 0.000 1.147 145 P CA 0.855 63.949 63.100 -0.011 0.000 0.790 145 P CB 0.346 32.038 31.700 -0.014 0.000 0.780 146 K N -0.357 120.056 120.400 0.022 0.000 2.444 146 K HA 0.010 4.330 4.320 -0.000 0.000 0.193 146 K C 0.489 177.206 176.600 0.195 0.000 1.024 146 K CA -0.201 56.139 56.287 0.087 0.000 1.077 146 K CB -0.258 32.256 32.500 0.023 0.000 0.833 146 K HN 0.100 nan 8.250 nan 0.000 0.517 147 D N 1.443 121.931 120.400 0.148 0.000 2.493 147 D HA -0.046 4.593 4.640 -0.000 0.000 0.240 147 D C -1.337 175.057 176.300 0.157 0.000 1.142 147 D CA -1.288 52.828 54.000 0.193 0.000 0.872 147 D CB 1.071 41.956 40.800 0.143 0.000 1.173 147 D HN -0.044 nan 8.370 nan 0.000 0.467 148 P HA 0.135 nan 4.420 nan 0.000 0.224 148 P C 0.677 178.013 177.300 0.059 0.000 1.157 148 P CA 0.671 63.826 63.100 0.092 0.000 0.799 148 P CB -0.045 31.680 31.700 0.042 0.000 0.809 149 G N -0.495 108.371 108.800 0.110 0.000 2.894 149 G HA2 0.054 4.014 3.960 -0.000 0.000 0.247 149 G HA3 0.054 4.014 3.960 -0.000 0.000 0.247 149 G C 0.614 175.475 174.900 -0.064 0.000 1.442 149 G CA 0.145 45.177 45.100 -0.114 0.000 0.897 149 G HN 0.672 nan 8.290 nan 0.000 0.550 150 G N -2.708 105.933 108.800 -0.264 0.000 2.253 150 G HA2 0.152 4.112 3.960 -0.000 0.000 0.209 150 G HA3 0.152 4.112 3.960 -0.000 0.000 0.209 150 G C 0.462 175.127 174.900 -0.392 0.000 0.997 150 G CA 0.964 45.913 45.100 -0.253 0.000 0.640 150 G HN 2.330 nan 8.290 nan 0.000 0.496 151 Y N -0.204 119.816 120.300 -0.466 0.000 2.519 151 Y HA 0.824 5.373 4.550 -0.000 0.000 0.324 151 Y C 0.145 175.657 175.900 -0.646 0.000 1.214 151 Y CA -1.978 55.844 58.100 -0.463 0.000 1.260 151 Y CB 0.733 39.066 38.460 -0.210 0.000 1.311 151 Y HN -0.018 nan 8.280 nan 0.000 0.505 152 F N 0.567 120.496 119.950 -0.034 0.000 2.497 152 F HA 0.595 5.122 4.527 -0.000 0.000 0.331 152 F C -0.306 175.493 175.800 -0.001 0.000 1.060 152 F CA -1.191 56.771 58.000 -0.064 0.000 0.989 152 F CB 1.486 40.509 39.000 0.039 0.000 1.245 152 F HN 0.281 nan 8.300 nan 0.000 0.486 153 I N 3.271 123.928 120.570 0.145 0.000 2.464 153 I HA 0.289 4.459 4.170 -0.000 0.000 0.277 153 I C -0.809 175.416 176.117 0.180 0.000 1.040 153 I CA -0.894 60.469 61.300 0.105 0.000 1.153 153 I CB 0.993 38.948 38.000 -0.075 0.000 1.274 153 I HN 0.306 nan 8.210 nan 0.000 0.469 154 V N 2.999 123.010 119.914 0.161 0.000 2.567 154 V HA 0.377 4.497 4.120 -0.000 0.000 0.289 154 V C 0.887 177.043 176.094 0.103 0.000 1.049 154 V CA -0.800 61.578 62.300 0.130 0.000 0.969 154 V CB 1.126 33.007 31.823 0.096 0.000 0.995 154 V HN 0.895 nan 8.190 nan 0.000 0.471 155 N N 2.950 121.707 118.700 0.096 0.000 2.704 155 N HA -0.286 4.454 4.740 -0.000 0.000 0.259 155 N C 1.267 176.818 175.510 0.067 0.000 0.957 155 N CA 1.265 54.361 53.050 0.076 0.000 0.804 155 N CB -1.335 37.190 38.487 0.063 0.000 0.917 155 N HN 1.937 nan 8.380 nan 0.000 0.545 156 G N -1.531 107.315 108.800 0.075 0.000 2.196 156 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.268 156 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.268 156 G C 1.100 176.029 174.900 0.049 0.000 0.975 156 G CA 1.456 46.592 45.100 0.059 0.000 0.648 156 G HN 0.834 nan 8.290 nan 0.000 0.538 157 S N -0.474 115.258 115.700 0.053 0.000 2.371 157 S HA 0.330 4.800 4.470 -0.000 0.000 0.221 157 S C 0.677 175.301 174.600 0.039 0.000 1.036 157 S CA 1.179 59.400 58.200 0.036 0.000 0.965 157 S CB 0.084 63.304 63.200 0.034 0.000 0.845 157 S HN 1.267 nan 8.310 nan 0.000 0.475 158 E N 0.325 120.575 120.200 0.084 0.000 6.605 158 E HA -0.045 4.304 4.350 -0.000 0.000 0.187 158 E C -0.989 175.672 176.600 0.101 0.000 1.061 158 E CA -0.103 56.375 56.400 0.131 0.000 1.499 158 E CB -0.670 29.052 29.700 0.036 0.000 0.942 158 E HN 0.330 nan 8.360 nan 0.000 0.316 159 R N 0.854 121.448 120.500 0.157 0.000 2.428 159 R HA 0.649 4.989 4.340 -0.000 0.000 0.294 159 R C -0.688 175.739 176.300 0.212 0.000 1.000 159 R CA -0.511 55.675 56.100 0.142 0.000 0.960 159 R CB 1.878 32.245 30.300 0.110 0.000 1.076 159 R HN 0.182 nan 8.270 nan 0.000 0.475 160 V N 4.923 124.923 119.914 0.142 0.000 2.540 160 V HA 0.389 4.509 4.120 -0.000 0.000 0.302 160 V C -0.333 175.794 176.094 0.054 0.000 1.035 160 V CA -0.905 61.458 62.300 0.104 0.000 0.873 160 V CB 1.580 33.377 31.823 -0.044 0.000 0.992 160 V HN 0.642 nan 8.190 nan 0.000 0.428 161 I N 7.409 128.055 120.570 0.128 0.000 2.573 161 I HA 0.055 4.225 4.170 -0.000 0.000 0.295 161 I C 0.359 176.505 176.117 0.049 0.000 1.141 161 I CA 0.764 62.131 61.300 0.111 0.000 1.364 161 I CB 0.834 38.992 38.000 0.264 0.000 1.447 161 I HN 0.418 nan 8.210 nan 0.000 0.571 162 V N 7.308 127.219 119.914 -0.005 0.000 2.432 162 V HA 0.099 4.219 4.120 -0.000 0.000 0.271 162 V C 1.004 177.157 176.094 0.097 0.000 1.046 162 V CA -0.293 62.000 62.300 -0.012 0.000 0.945 162 V CB 1.523 33.244 31.823 -0.170 0.000 0.992 162 V HN 0.878 nan 8.190 nan 0.000 0.471 163 T N 7.211 121.886 114.554 0.201 0.000 2.709 163 T HA -0.012 4.338 4.350 -0.000 0.000 0.269 163 T C 0.303 175.030 174.700 0.046 0.000 1.008 163 T CA 0.337 62.496 62.100 0.098 0.000 1.194 163 T CB -0.172 68.701 68.868 0.008 0.000 0.986 163 T HN 0.880 nan 8.240 nan 0.000 0.508 164 Q N 3.385 123.207 119.800 0.037 0.000 2.222 164 Q HA 0.337 4.677 4.340 -0.000 0.000 0.211 164 Q C 0.019 176.032 176.000 0.023 0.000 1.013 164 Q CA -0.494 55.323 55.803 0.024 0.000 0.993 164 Q CB 0.858 29.606 28.738 0.017 0.000 1.151 164 Q HN 0.852 nan 8.270 nan 0.000 0.544 165 E N 1.528 121.740 120.200 0.020 0.000 2.402 165 E HA 0.151 4.500 4.350 -0.000 0.000 0.244 165 E C -1.108 175.493 176.600 0.003 0.000 0.945 165 E CA -0.454 55.962 56.400 0.026 0.000 0.774 165 E CB 0.680 30.410 29.700 0.051 0.000 1.296 165 E HN 0.359 nan 8.360 nan 0.000 0.414 166 D N 3.151 123.548 120.400 -0.005 0.000 2.346 166 D HA -0.020 4.620 4.640 -0.000 0.000 0.236 166 D C 1.621 177.898 176.300 -0.038 0.000 1.259 166 D CA 0.115 54.103 54.000 -0.020 0.000 0.898 166 D CB 0.879 41.666 40.800 -0.021 0.000 1.178 166 D HN 0.437 nan 8.370 nan 0.000 0.457 167 L N 0.134 121.332 121.223 -0.042 0.000 1.899 167 L HA 0.147 4.487 4.340 -0.000 0.000 0.220 167 L C 1.011 177.845 176.870 -0.061 0.000 1.091 167 L CA 1.133 55.939 54.840 -0.056 0.000 0.781 167 L CB -0.560 41.474 42.059 -0.041 0.000 0.886 167 L HN 0.441 nan 8.230 nan 0.000 0.430 168 A N -1.118 121.676 122.820 -0.043 0.000 2.573 168 A HA 0.613 4.933 4.320 -0.000 0.000 0.299 168 A C -2.802 174.768 177.584 -0.023 0.000 1.060 168 A CA -0.811 51.204 52.037 -0.036 0.000 0.736 168 A CB 0.724 19.700 19.000 -0.041 0.000 1.280 168 A HN 0.110 nan 8.150 nan 0.000 0.401 169 P HA 0.515 nan 4.420 nan 0.000 0.290 169 P C 0.132 177.424 177.300 -0.014 0.000 1.276 169 P CA 0.228 63.309 63.100 -0.031 0.000 0.808 169 P CB 0.959 32.626 31.700 -0.054 0.000 0.966 170 N N 0.904 119.621 118.700 0.028 0.000 1.308 170 N HA -0.206 4.534 4.740 -0.000 0.000 0.165 170 N C -0.438 175.143 175.510 0.118 0.000 0.874 170 N CA 1.074 54.219 53.050 0.158 0.000 1.035 170 N CB -1.515 37.040 38.487 0.113 0.000 1.338 170 N HN 0.887 nan 8.380 nan 0.000 0.503 171 R N -0.406 120.155 120.500 0.101 0.000 3.593 171 R HA -0.067 4.273 4.340 -0.000 0.000 0.104 171 R C -0.580 175.755 176.300 0.059 0.000 0.919 171 R CA 0.709 56.847 56.100 0.064 0.000 0.706 171 R CB -1.282 29.038 30.300 0.034 0.000 1.374 171 R HN 0.346 nan 8.270 nan 0.000 0.191 172 V N 4.440 124.398 119.914 0.073 0.000 2.432 172 V HA 0.325 4.445 4.120 -0.000 0.000 0.271 172 V C 0.708 176.831 176.094 0.048 0.000 1.046 172 V CA -0.350 61.994 62.300 0.073 0.000 0.945 172 V CB 0.781 32.670 31.823 0.110 0.000 0.992 172 V HN 0.466 nan 8.190 nan 0.000 0.471 173 L N 5.788 127.032 121.223 0.034 0.000 2.349 173 L HA 0.604 4.944 4.340 -0.000 0.000 0.278 173 L C -0.337 176.544 176.870 0.018 0.000 0.996 173 L CA -0.652 54.197 54.840 0.016 0.000 0.825 173 L CB 1.964 44.024 42.059 0.001 0.000 1.243 173 L HN 0.391 nan 8.230 nan 0.000 0.412 174 V N 1.174 121.095 119.914 0.012 0.000 2.863 174 V HA 0.526 4.646 4.120 -0.000 0.000 0.307 174 V C -0.439 175.662 176.094 0.010 0.000 1.061 174 V CA -0.337 61.970 62.300 0.011 0.000 1.024 174 V CB 1.947 33.767 31.823 -0.004 0.000 1.049 174 V HN 0.709 nan 8.190 nan 0.000 0.471 175 D N -0.377 120.037 120.400 0.023 0.000 2.867 175 D HA 0.657 5.297 4.640 -0.000 0.000 0.308 175 D C -1.305 175.033 176.300 0.064 0.000 1.202 175 D CA -0.184 53.833 54.000 0.028 0.000 1.035 175 D CB 2.543 43.353 40.800 0.017 0.000 1.427 175 D HN 0.611 nan 8.370 nan 0.000 0.570 176 T N -0.049 114.530 114.554 0.043 0.000 3.548 176 T HA 0.599 4.949 4.350 -0.000 0.000 0.329 176 T C -0.068 174.606 174.700 -0.042 0.000 0.960 176 T CA -0.697 61.412 62.100 0.016 0.000 1.041 176 T CB 1.200 70.113 68.868 0.074 0.000 1.065 176 T HN 0.441 nan 8.240 nan 0.000 0.459 177 G N 2.522 111.280 108.800 -0.070 0.000 2.606 177 G HA2 0.506 4.465 3.960 -0.000 0.000 0.252 177 G HA3 0.506 4.465 3.960 -0.000 0.000 0.252 177 G C -0.314 174.536 174.900 -0.083 0.000 1.206 177 G CA -0.641 44.420 45.100 -0.065 0.000 0.861 177 G HN 0.481 nan 8.290 nan 0.000 0.561 178 K N 0.998 121.360 120.400 -0.064 0.000 2.205 178 K HA 0.246 4.566 4.320 -0.000 0.000 0.279 178 K C 0.651 177.212 176.600 -0.066 0.000 1.027 178 K CA -0.281 55.967 56.287 -0.064 0.000 0.932 178 K CB 0.878 33.350 32.500 -0.048 0.000 1.032 178 K HN 0.506 nan 8.250 nan 0.000 0.466 179 T N 0.339 114.851 114.554 -0.071 0.000 2.923 179 T HA 0.192 4.542 4.350 -0.000 0.000 0.320 179 T C 1.088 175.757 174.700 -0.052 0.000 1.074 179 T CA 0.991 63.050 62.100 -0.070 0.000 1.131 179 T CB 0.138 68.969 68.868 -0.062 0.000 1.058 179 T HN 0.808 nan 8.240 nan 0.000 0.535 180 G N 0.531 109.301 108.800 -0.049 0.000 2.192 180 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.152 180 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.152 180 G C 0.533 175.411 174.900 -0.038 0.000 1.057 180 G CA 0.152 45.230 45.100 -0.037 0.000 0.748 180 G HN 0.637 nan 8.290 nan 0.000 0.488 181 S N -0.370 115.303 115.700 -0.046 0.000 2.691 181 S HA 0.257 4.727 4.470 -0.000 0.000 0.241 181 S C 1.576 176.158 174.600 -0.031 0.000 1.077 181 S CA 0.870 59.043 58.200 -0.046 0.000 0.900 181 S CB 0.120 63.279 63.200 -0.068 0.000 0.805 181 S HN 0.677 nan 8.310 nan 0.000 0.529 182 N N 0.056 118.741 118.700 -0.025 0.000 2.780 182 N HA -0.155 4.585 4.740 -0.000 0.000 0.196 182 N C -0.544 174.976 175.510 0.016 0.000 1.276 182 N CA 1.184 54.237 53.050 0.006 0.000 1.807 182 N CB -1.050 37.451 38.487 0.023 0.000 0.922 182 N HN 0.455 nan 8.380 nan 0.000 0.521 183 I N 0.996 121.558 120.570 -0.013 0.000 2.378 183 I HA 0.472 4.642 4.170 -0.000 0.000 0.291 183 I C 1.193 177.226 176.117 -0.140 0.000 0.992 183 I CA -0.445 60.828 61.300 -0.045 0.000 1.154 183 I CB 0.591 38.572 38.000 -0.032 0.000 1.315 183 I HN 0.018 nan 8.210 nan 0.000 0.448 184 T N 5.344 119.757 114.554 -0.236 0.000 2.523 184 T HA -0.029 4.321 4.350 -0.000 0.000 0.253 184 T C 0.981 175.420 174.700 -0.435 0.000 1.139 184 T CA 1.280 63.128 62.100 -0.421 0.000 1.230 184 T CB -0.518 67.949 68.868 -0.669 0.000 0.871 184 T HN 0.663 nan 8.240 nan 0.000 0.396 185 H N 0.061 118.977 119.070 -0.256 0.000 2.523 185 H HA 0.631 5.187 4.556 -0.000 0.000 0.317 185 H C -0.024 175.220 175.328 -0.140 0.000 1.511 185 H CA -0.082 55.860 56.048 -0.176 0.000 1.499 185 H CB 0.961 30.620 29.762 -0.172 0.000 1.742 185 H HN 0.300 nan 8.280 nan 0.000 0.750 186 T N -1.138 113.446 114.554 0.050 0.000 2.840 186 T HA 0.575 4.925 4.350 -0.000 0.000 0.317 186 T C -1.807 172.909 174.700 0.027 0.000 1.401 186 T CA -0.451 61.656 62.100 0.011 0.000 1.028 186 T CB 1.441 70.310 68.868 0.003 0.000 1.317 186 T HN 0.824 nan 8.240 nan 0.000 0.495 187 A N 2.596 125.436 122.820 0.033 0.000 2.435 187 A HA 0.864 5.184 4.320 -0.000 0.000 0.304 187 A C -1.017 176.597 177.584 0.049 0.000 1.064 187 A CA -0.781 51.282 52.037 0.044 0.000 0.727 187 A CB 1.801 20.836 19.000 0.058 0.000 1.284 187 A HN 0.862 nan 8.150 nan 0.000 0.415 188 K N 1.495 121.920 120.400 0.042 0.000 2.375 188 K HA 0.829 5.149 4.320 -0.000 0.000 0.249 188 K C -1.774 174.848 176.600 0.035 0.000 0.942 188 K CA -0.496 55.812 56.287 0.036 0.000 0.806 188 K CB 1.499 34.013 32.500 0.023 0.000 1.227 188 K HN 0.659 nan 8.250 nan 0.000 0.430 189 I N 3.899 124.487 120.570 0.031 0.000 2.686 189 I HA 0.371 4.540 4.170 -0.000 0.000 0.295 189 I C -0.876 175.257 176.117 0.027 0.000 1.114 189 I CA -0.971 60.349 61.300 0.032 0.000 1.038 189 I CB 2.125 40.138 38.000 0.021 0.000 1.238 189 I HN 0.544 nan 8.210 nan 0.000 0.420 190 I N 4.727 125.321 120.570 0.041 0.000 2.502 190 I HA 0.172 4.342 4.170 -0.000 0.000 0.276 190 I C 0.091 176.252 176.117 0.073 0.000 1.057 190 I CA -0.219 61.099 61.300 0.030 0.000 1.163 190 I CB 1.283 39.284 38.000 0.001 0.000 1.288 190 I HN 0.534 nan 8.210 nan 0.000 0.479 191 S N 3.335 119.114 115.700 0.132 0.000 2.565 191 S HA 0.366 4.836 4.470 -0.000 0.000 0.276 191 S C 0.945 175.549 174.600 0.007 0.000 1.326 191 S CA -0.363 57.965 58.200 0.213 0.000 1.045 191 S CB 1.712 65.132 63.200 0.367 0.000 0.918 191 S HN 0.673 nan 8.310 nan 0.000 0.505 192 S N 1.988 117.619 115.700 -0.114 0.000 3.148 192 S HA 0.485 4.955 4.470 -0.000 0.000 0.246 192 S C 0.502 175.060 174.600 -0.069 0.000 1.041 192 S CA 0.503 58.653 58.200 -0.084 0.000 0.813 192 S CB -0.370 62.782 63.200 -0.081 0.000 0.813 192 S HN 1.133 nan 8.310 nan 0.000 0.546 193 T N -1.524 112.955 114.554 -0.124 0.000 2.649 193 T HA 0.734 5.084 4.350 -0.000 0.000 0.287 193 T C 0.006 174.662 174.700 -0.073 0.000 1.933 193 T CA -0.284 61.785 62.100 -0.052 0.000 0.943 193 T CB 0.770 69.659 68.868 0.036 0.000 2.078 193 T HN 1.066 nan 8.240 nan 0.000 0.455 194 A N -0.528 122.302 122.820 0.016 0.000 1.480 194 A HA 0.720 5.040 4.320 -0.000 0.000 0.207 194 A C 1.294 178.918 177.584 0.067 0.000 1.923 194 A CA 0.784 52.835 52.037 0.023 0.000 1.531 194 A CB -0.337 18.677 19.000 0.024 0.000 1.476 194 A HN 1.845 nan 8.150 nan 0.000 0.317 195 G N -1.877 107.004 108.800 0.135 0.000 3.979 195 G HA2 0.471 4.430 3.960 -0.000 0.000 0.287 195 G HA3 0.471 4.430 3.960 -0.000 0.000 0.287 195 G C 0.169 175.223 174.900 0.256 0.000 1.011 195 G CA 0.393 45.592 45.100 0.165 0.000 0.818 195 G HN 0.264 nan 8.290 nan 0.000 0.470 196 Y N 0.013 120.341 120.300 0.047 0.000 2.811 196 Y HA 0.477 5.027 4.550 -0.000 0.000 0.117 196 Y C 1.648 177.582 175.900 0.056 0.000 0.894 196 Y CA -0.074 58.062 58.100 0.060 0.000 1.862 196 Y CB 0.431 38.938 38.460 0.078 0.000 1.207 196 Y HN -0.114 nan 8.280 nan 0.000 0.259 197 R N -0.685 119.964 120.500 0.248 0.000 3.149 197 R HA 0.667 5.007 4.340 -0.000 0.000 0.213 197 R C -1.231 175.120 176.300 0.086 0.000 1.639 197 R CA -0.590 55.597 56.100 0.146 0.000 0.930 197 R CB 0.119 30.512 30.300 0.156 0.000 2.313 197 R HN -0.010 nan 8.270 nan 0.000 0.533 198 V N 2.432 122.378 119.914 0.053 0.000 2.546 198 V HA 0.226 4.346 4.120 -0.000 0.000 0.260 198 V C -2.349 173.733 176.094 -0.021 0.000 0.933 198 V CA -1.015 61.293 62.300 0.014 0.000 0.994 198 V CB 0.511 32.340 31.823 0.010 0.000 1.160 198 V HN 0.569 nan 8.190 nan 0.000 0.523 199 P HA 0.493 nan 4.420 nan 0.000 0.297 199 P C -0.895 176.362 177.300 -0.072 0.000 1.307 199 P CA -0.644 62.415 63.100 -0.069 0.000 0.773 199 P CB 1.621 33.267 31.700 -0.091 0.000 1.265 200 V N 0.008 119.864 119.914 -0.096 0.000 2.398 200 V HA 0.297 4.417 4.120 -0.000 0.000 0.282 200 V C -0.919 175.113 176.094 -0.103 0.000 1.014 200 V CA -0.123 62.128 62.300 -0.082 0.000 0.838 200 V CB 0.914 32.690 31.823 -0.079 0.000 1.018 200 V HN 0.499 nan 8.190 nan 0.000 0.432 201 T N 7.991 122.495 114.554 -0.084 0.000 2.743 201 T HA 0.563 4.912 4.350 -0.000 0.000 0.292 201 T C 0.062 174.707 174.700 -0.092 0.000 0.972 201 T CA -0.015 62.014 62.100 -0.118 0.000 0.967 201 T CB 0.721 69.541 68.868 -0.081 0.000 0.926 201 T HN 0.467 nan 8.240 nan 0.000 0.459 202 I N 3.222 123.713 120.570 -0.131 0.000 2.882 202 I HA 0.256 4.425 4.170 -0.000 0.000 0.286 202 I C 0.687 176.774 176.117 -0.049 0.000 1.139 202 I CA 0.141 61.392 61.300 -0.082 0.000 1.379 202 I CB 0.494 38.446 38.000 -0.081 0.000 1.410 202 I HN 0.367 nan 8.210 nan 0.000 0.594 203 E N 4.507 124.712 120.200 0.008 0.000 2.313 203 E HA 0.430 4.780 4.350 -0.000 0.000 0.280 203 E C -1.229 175.415 176.600 0.074 0.000 0.898 203 E CA -0.758 55.679 56.400 0.060 0.000 0.803 203 E CB 1.773 31.470 29.700 -0.005 0.000 1.286 203 E HN 0.391 nan 8.360 nan 0.000 0.401 204 R N 2.708 123.279 120.500 0.119 0.000 2.483 204 R HA 0.533 4.873 4.340 -0.000 0.000 0.303 204 R C -0.343 176.035 176.300 0.130 0.000 0.987 204 R CA -0.534 55.627 56.100 0.102 0.000 0.881 204 R CB 1.715 32.064 30.300 0.081 0.000 1.177 204 R HN 0.255 nan 8.270 nan 0.000 0.451 205 L N 2.831 124.120 121.223 0.110 0.000 2.343 205 L HA 0.551 4.891 4.340 -0.000 0.000 0.275 205 L C 0.005 176.908 176.870 0.055 0.000 1.056 205 L CA -0.649 54.260 54.840 0.116 0.000 0.804 205 L CB 1.301 43.428 42.059 0.115 0.000 1.203 205 L HN 0.410 nan 8.230 nan 0.000 0.440 206 K N 1.404 121.823 120.400 0.030 0.000 2.385 206 K HA 0.525 4.844 4.320 -0.000 0.000 0.248 206 K C -1.668 174.758 176.600 -0.291 0.000 0.955 206 K CA -0.931 55.324 56.287 -0.053 0.000 0.816 206 K CB 2.326 34.844 32.500 0.031 0.000 1.250 206 K HN 0.385 nan 8.250 nan 0.000 0.434 207 D N -0.017 120.156 120.400 -0.379 0.000 2.473 207 D HA 0.435 5.075 4.640 -0.000 0.000 0.253 207 D C 0.247 176.328 176.300 -0.365 0.000 1.233 207 D CA 0.188 53.719 54.000 -0.781 0.000 0.908 207 D CB 1.555 42.074 40.800 -0.467 0.000 1.170 207 D HN 0.750 nan 8.370 nan 0.000 0.558 208 G N 0.829 109.452 108.800 -0.295 0.000 3.827 208 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.218 208 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.218 208 G C 0.826 175.885 174.900 0.264 0.000 0.892 208 G CA -0.055 45.172 45.100 0.212 0.000 0.857 208 G HN 0.410 nan 8.290 nan 0.000 0.508 209 T N 0.233 114.929 114.554 0.236 0.000 3.028 209 T HA 0.363 4.713 4.350 -0.000 0.000 0.262 209 T C 0.090 174.916 174.700 0.211 0.000 0.916 209 T CA -0.007 62.257 62.100 0.273 0.000 0.873 209 T CB 0.963 70.022 68.868 0.318 0.000 1.232 209 T HN 0.687 nan 8.240 nan 0.000 0.529 210 F N 2.750 122.686 119.950 -0.022 0.000 2.130 210 F HA -0.175 4.352 4.527 -0.000 0.000 0.464 210 F C -0.088 175.531 175.800 -0.302 0.000 1.225 210 F CA 0.124 58.067 58.000 -0.094 0.000 1.505 210 F CB -1.158 37.770 39.000 -0.119 0.000 2.379 210 F HN 0.353 nan 8.300 nan 0.000 0.732 211 H N 2.411 121.612 119.070 0.218 0.000 3.018 211 H HA 0.505 5.061 4.556 -0.000 0.000 0.334 211 H C -0.893 174.551 175.328 0.194 0.000 0.983 211 H CA -0.843 55.325 56.048 0.200 0.000 1.363 211 H CB 1.871 31.714 29.762 0.135 0.000 1.668 211 H HN 0.242 nan 8.280 nan 0.000 0.513 212 V N 3.659 123.764 119.914 0.319 0.000 2.322 212 V HA 0.040 4.160 4.120 -0.000 0.000 0.258 212 V C 0.955 177.216 176.094 0.278 0.000 1.074 212 V CA -0.414 62.059 62.300 0.289 0.000 0.909 212 V CB 0.091 32.098 31.823 0.307 0.000 1.090 212 V HN 0.765 nan 8.190 nan 0.000 0.486 213 S N 4.694 120.549 115.700 0.259 0.000 2.592 213 S HA 0.656 5.126 4.470 -0.000 0.000 0.271 213 S C -0.910 173.917 174.600 0.378 0.000 1.326 213 S CA -0.291 58.065 58.200 0.259 0.000 1.024 213 S CB 1.133 64.437 63.200 0.173 0.000 0.921 213 S HN 0.437 nan 8.310 nan 0.000 0.527 214 F N 2.259 122.281 119.950 0.120 0.000 2.581 214 F HA 0.598 5.125 4.527 -0.000 0.000 0.311 214 F C -2.539 173.324 175.800 0.105 0.000 1.113 214 F CA -1.963 56.114 58.000 0.128 0.000 0.935 214 F CB 2.129 41.240 39.000 0.185 0.000 1.232 214 F HN 0.498 nan 8.300 nan 0.000 0.445 215 P HA 0.446 nan 4.420 nan 0.000 0.274 215 P C 0.008 177.053 177.300 -0.425 0.000 1.246 215 P CA 1.120 63.985 63.100 -0.391 0.000 0.795 215 P CB 1.457 32.910 31.700 -0.411 0.000 1.006 216 A N 0.597 123.345 122.820 -0.120 0.000 1.260 216 A HA -0.234 4.086 4.320 -0.000 0.000 0.276 216 A C 0.596 178.272 177.584 0.152 0.000 1.132 216 A CA 1.774 53.861 52.037 0.083 0.000 1.094 216 A CB -2.719 16.440 19.000 0.266 0.000 1.471 216 A HN 0.414 nan 8.150 nan 0.000 0.723 217 V N 3.415 123.497 119.914 0.281 0.000 2.415 217 V HA 0.400 4.520 4.120 -0.000 0.000 0.267 217 V C -1.609 174.619 176.094 0.223 0.000 1.042 217 V CA -0.228 62.255 62.300 0.307 0.000 1.000 217 V CB 0.432 32.520 31.823 0.442 0.000 1.015 217 V HN 0.570 nan 8.190 nan 0.000 0.478 218 P HA 0.467 nan 4.420 nan 0.000 0.275 218 P C 0.542 177.912 177.300 0.116 0.000 1.266 218 P CA 0.735 63.902 63.100 0.111 0.000 0.793 218 P CB 0.465 32.212 31.700 0.079 0.000 1.074 219 G N -0.205 108.650 108.800 0.092 0.000 2.752 219 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.234 219 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.234 219 G C -1.183 173.786 174.900 0.116 0.000 1.367 219 G CA -0.468 44.684 45.100 0.087 0.000 0.879 219 G HN 0.633 nan 8.290 nan 0.000 0.563 220 K N -0.130 120.337 120.400 0.112 0.000 2.463 220 K HA 0.487 4.807 4.320 -0.000 0.000 0.255 220 K C -0.282 176.440 176.600 0.203 0.000 0.942 220 K CA -0.947 55.429 56.287 0.149 0.000 0.814 220 K CB 1.577 34.133 32.500 0.094 0.000 1.122 220 K HN 0.407 nan 8.250 nan 0.000 0.425 221 I N 3.757 124.458 120.570 0.218 0.000 2.312 221 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 221 I C -2.348 173.902 176.117 0.222 0.000 1.031 221 I CA -3.608 57.806 61.300 0.189 0.000 1.293 221 I CB 0.216 38.282 38.000 0.110 0.000 1.403 221 I HN 0.257 nan 8.210 nan 0.000 0.484 222 P HA 0.024 nan 4.420 nan 0.000 0.265 222 P C 0.976 178.312 177.300 0.060 0.000 1.222 222 P CA -0.070 63.079 63.100 0.080 0.000 0.767 222 P CB 0.237 31.965 31.700 0.046 0.000 0.801 223 F N 5.618 125.556 119.950 -0.020 0.000 2.068 223 F HA -0.375 4.152 4.527 -0.000 0.000 0.289 223 F C 1.971 177.728 175.800 -0.072 0.000 1.089 223 F CA 2.345 60.341 58.000 -0.006 0.000 1.263 223 F CB -1.091 37.921 39.000 0.021 0.000 0.955 223 F HN 0.148 nan 8.300 nan 0.000 0.501 224 V N 1.000 120.722 119.914 -0.320 0.000 2.343 224 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 224 V C 2.329 178.173 176.094 -0.417 0.000 1.051 224 V CA 2.336 64.340 62.300 -0.494 0.000 1.036 224 V CB -0.479 31.216 31.823 -0.214 0.000 0.654 224 V HN 0.507 nan 8.190 nan 0.000 0.451 225 I N -0.651 119.754 120.570 -0.274 0.000 2.163 225 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 225 I C 2.432 178.395 176.117 -0.258 0.000 1.085 225 I CA 1.921 63.079 61.300 -0.236 0.000 1.347 225 I CB -0.533 37.381 38.000 -0.143 0.000 1.044 225 I HN 0.279 nan 8.210 nan 0.000 0.408 226 L N -0.161 120.901 121.223 -0.269 0.000 2.046 226 L HA -0.159 4.180 4.340 -0.000 0.000 0.208 226 L C 2.137 178.793 176.870 -0.357 0.000 1.077 226 L CA 1.219 55.882 54.840 -0.296 0.000 0.747 226 L CB -0.167 41.763 42.059 -0.217 0.000 0.896 226 L HN 0.312 nan 8.230 nan 0.000 0.432 227 M N -0.603 118.685 119.600 -0.520 0.000 2.888 227 M HA -0.037 4.443 4.480 -0.000 0.000 0.216 227 M C 1.203 177.292 176.300 -0.352 0.000 1.291 227 M CA 0.712 55.724 55.300 -0.481 0.000 1.105 227 M CB -0.347 31.779 32.600 -0.790 0.000 1.581 227 M HN 0.264 nan 8.290 nan 0.000 0.439 228 R N -1.324 119.004 120.500 -0.288 0.000 3.062 228 R HA 0.219 4.559 4.340 -0.000 0.000 0.161 228 R C 1.885 178.075 176.300 -0.183 0.000 0.778 228 R CA 0.883 56.855 56.100 -0.213 0.000 1.168 228 R CB -0.234 29.939 30.300 -0.213 0.000 1.618 228 R HN 0.227 nan 8.270 nan 0.000 0.566 229 A N 1.697 124.398 122.820 -0.199 0.000 1.948 229 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 229 A C 1.945 179.420 177.584 -0.182 0.000 1.177 229 A CA 1.379 53.310 52.037 -0.176 0.000 0.636 229 A CB -0.629 18.257 19.000 -0.190 0.000 0.815 229 A HN 0.302 nan 8.150 nan 0.000 0.449 230 L N -1.669 119.424 121.223 -0.216 0.000 1.989 230 L HA -0.012 4.328 4.340 -0.000 0.000 0.211 230 L C 1.682 178.468 176.870 -0.140 0.000 1.071 230 L CA 1.532 56.256 54.840 -0.192 0.000 0.749 230 L CB -0.287 41.657 42.059 -0.192 0.000 0.890 230 L HN 0.610 nan 8.230 nan 0.000 0.431 231 G N -0.741 107.979 108.800 -0.133 0.000 2.761 231 G HA2 0.071 4.030 3.960 -0.000 0.000 0.230 231 G HA3 0.071 4.030 3.960 -0.000 0.000 0.230 231 G C -0.586 174.257 174.900 -0.096 0.000 1.659 231 G CA -0.831 44.205 45.100 -0.106 0.000 0.998 231 G HN -0.019 nan 8.290 nan 0.000 0.506 232 I N 1.847 122.355 120.570 -0.104 0.000 2.466 232 I HA 0.392 4.562 4.170 -0.000 0.000 0.279 232 I C 1.187 177.252 176.117 -0.086 0.000 1.033 232 I CA -0.613 60.639 61.300 -0.079 0.000 1.123 232 I CB 1.027 38.987 38.000 -0.066 0.000 1.237 232 I HN 0.072 nan 8.210 nan 0.000 0.460 233 L N 3.672 124.857 121.223 -0.064 0.000 1.995 233 L HA 0.036 4.376 4.340 -0.000 0.000 0.206 233 L C 1.044 177.882 176.870 -0.054 0.000 1.098 233 L CA 1.030 55.831 54.840 -0.064 0.000 0.762 233 L CB -0.217 41.811 42.059 -0.051 0.000 0.900 233 L HN 0.519 nan 8.230 nan 0.000 0.441 234 T N -0.036 114.500 114.554 -0.031 0.000 2.937 234 T HA -0.081 4.269 4.350 -0.000 0.000 0.316 234 T C 0.615 175.314 174.700 -0.002 0.000 1.079 234 T CA -0.388 61.704 62.100 -0.015 0.000 1.131 234 T CB 0.561 69.427 68.868 -0.003 0.000 1.000 234 T HN 0.199 nan 8.240 nan 0.000 0.549 235 D N 2.097 122.501 120.400 0.007 0.000 2.104 235 D HA -0.112 4.528 4.640 -0.000 0.000 0.194 235 D C 2.037 178.394 176.300 0.095 0.000 0.994 235 D CA 1.216 55.235 54.000 0.032 0.000 0.830 235 D CB -0.104 40.718 40.800 0.035 0.000 0.959 235 D HN 0.535 nan 8.370 nan 0.000 0.452 236 R N 0.697 121.256 120.500 0.099 0.000 2.341 236 R HA -0.062 4.278 4.340 -0.000 0.000 0.213 236 R C 1.425 177.811 176.300 0.144 0.000 1.082 236 R CA 0.616 56.810 56.100 0.156 0.000 1.017 236 R CB 0.083 30.424 30.300 0.069 0.000 0.860 236 R HN 0.212 nan 8.270 nan 0.000 0.473 237 D N 0.550 121.006 120.400 0.092 0.000 2.214 237 D HA 0.025 4.664 4.640 -0.000 0.000 0.217 237 D C 1.971 178.348 176.300 0.127 0.000 0.973 237 D CA 0.799 54.853 54.000 0.089 0.000 0.880 237 D CB 0.047 40.870 40.800 0.038 0.000 1.031 237 D HN 0.074 nan 8.370 nan 0.000 0.468 238 I N 1.060 121.676 120.570 0.075 0.000 2.099 238 I HA -0.255 3.915 4.170 -0.000 0.000 0.239 238 I C 2.552 178.728 176.117 0.100 0.000 1.066 238 I CA 0.734 62.062 61.300 0.047 0.000 1.324 238 I CB -0.405 37.568 38.000 -0.045 0.000 1.037 238 I HN -0.127 nan 8.210 nan 0.000 0.401 239 V N 0.445 120.465 119.914 0.177 0.000 2.233 239 V HA -0.362 3.758 4.120 -0.000 0.000 0.252 239 V C 2.295 178.500 176.094 0.184 0.000 1.063 239 V CA 2.332 64.848 62.300 0.360 0.000 1.032 239 V CB -0.952 31.055 31.823 0.308 0.000 0.645 239 V HN 0.326 nan 8.190 nan 0.000 0.446 240 Y N 0.030 120.376 120.300 0.077 0.000 2.373 240 Y HA 0.013 4.563 4.550 -0.000 0.000 0.293 240 Y C 2.373 178.237 175.900 -0.061 0.000 1.129 240 Y CA 0.967 59.075 58.100 0.013 0.000 1.226 240 Y CB -0.627 37.840 38.460 0.012 0.000 1.000 240 Y HN 0.207 nan 8.280 nan 0.000 0.549 241 A N -0.806 122.063 122.820 0.081 0.000 2.015 241 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 241 A C 2.304 179.643 177.584 -0.409 0.000 1.163 241 A CA 1.463 53.439 52.037 -0.101 0.000 0.646 241 A CB -0.929 18.160 19.000 0.147 0.000 0.806 241 A HN 0.239 nan 8.150 nan 0.000 0.448 242 V N 0.171 119.957 119.914 -0.214 0.000 2.239 242 V HA -0.034 4.086 4.120 -0.000 0.000 0.242 242 V C 1.052 176.900 176.094 -0.410 0.000 1.038 242 V CA 1.801 63.948 62.300 -0.254 0.000 1.002 242 V CB -0.581 31.285 31.823 0.071 0.000 0.641 242 V HN 0.737 nan 8.190 nan 0.000 0.449 243 S N -1.239 114.358 115.700 -0.172 0.000 2.543 243 S HA 0.643 5.112 4.470 -0.000 0.000 0.273 243 S C -1.248 173.333 174.600 -0.031 0.000 1.152 243 S CA -0.661 57.522 58.200 -0.028 0.000 0.910 243 S CB 1.575 64.803 63.200 0.047 0.000 1.105 243 S HN 0.110 nan 8.310 nan 0.000 0.465 244 L N 2.437 123.697 121.223 0.061 0.000 2.264 244 L HA 0.492 4.832 4.340 -0.000 0.000 0.289 244 L C -0.196 176.652 176.870 -0.036 0.000 1.044 244 L CA -0.146 54.670 54.840 -0.039 0.000 0.807 244 L CB 0.435 42.433 42.059 -0.102 0.000 1.192 244 L HN 0.876 nan 8.230 nan 0.000 0.425 245 D N 2.507 122.852 120.400 -0.091 0.000 2.697 245 D HA -0.142 4.498 4.640 -0.000 0.000 0.238 245 D C -1.859 174.405 176.300 -0.060 0.000 1.152 245 D CA 0.516 54.479 54.000 -0.061 0.000 0.666 245 D CB -0.113 40.711 40.800 0.040 0.000 1.037 245 D HN 0.406 nan 8.370 nan 0.000 0.423 246 P HA 0.141 nan 4.420 nan 0.000 0.238 246 P C 0.659 177.881 177.300 -0.130 0.000 1.153 246 P CA 0.255 63.308 63.100 -0.079 0.000 0.900 246 P CB 0.656 32.325 31.700 -0.051 0.000 1.009 247 E N -1.195 118.880 120.200 -0.208 0.000 4.074 247 E HA -0.202 4.148 4.350 -0.000 0.000 0.282 247 E C 1.358 177.809 176.600 -0.248 0.000 0.675 247 E CA 1.296 57.554 56.400 -0.238 0.000 1.151 247 E CB -2.062 27.540 29.700 -0.164 0.000 1.639 247 E HN 0.035 nan 8.360 nan 0.000 0.409 248 V N 1.678 121.485 119.914 -0.180 0.000 2.660 248 V HA -0.335 3.784 4.120 -0.000 0.000 0.257 248 V C 2.590 178.534 176.094 -0.250 0.000 1.088 248 V CA 2.520 64.731 62.300 -0.147 0.000 1.106 248 V CB -0.843 30.948 31.823 -0.053 0.000 0.686 248 V HN 0.430 nan 8.190 nan 0.000 0.481 249 Q N 0.512 120.073 119.800 -0.398 0.000 1.941 249 Q HA -0.218 4.122 4.340 -0.000 0.000 0.201 249 Q C 1.946 177.046 176.000 -1.499 0.000 0.982 249 Q CA 1.788 57.091 55.803 -0.834 0.000 0.839 249 Q CB -0.705 27.596 28.738 -0.728 0.000 0.904 249 Q HN 0.529 nan 8.270 nan 0.000 0.427 250 N N 1.427 119.478 118.700 -1.081 0.000 2.182 250 N HA -0.229 4.511 4.740 -0.000 0.000 0.192 250 N C 1.560 176.793 175.510 -0.463 0.000 1.007 250 N CA 1.872 54.476 53.050 -0.743 0.000 0.873 250 N CB -0.350 37.911 38.487 -0.377 0.000 0.998 250 N HN 0.491 nan 8.380 nan 0.000 0.436 251 E N 0.036 120.009 120.200 -0.378 0.000 2.097 251 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 251 E C 0.295 176.795 176.600 -0.168 0.000 1.000 251 E CA 0.849 57.120 56.400 -0.214 0.000 0.804 251 E CB -0.046 29.552 29.700 -0.169 0.000 0.740 251 E HN 0.333 nan 8.360 nan 0.000 0.454 252 L N -0.055 121.087 121.223 -0.137 0.000 2.783 252 L HA 0.213 4.553 4.340 -0.000 0.000 0.265 252 L C -0.219 176.776 176.870 0.208 0.000 1.398 252 L CA -0.280 54.536 54.840 -0.040 0.000 0.802 252 L CB 0.655 42.617 42.059 -0.162 0.000 1.126 252 L HN -0.021 nan 8.230 nan 0.000 0.529 253 F N -0.118 119.708 119.950 -0.206 0.000 2.711 253 F HA 0.275 4.802 4.527 -0.000 0.000 0.296 253 F C -0.606 175.108 175.800 -0.144 0.000 1.096 253 F CA -0.595 57.278 58.000 -0.213 0.000 1.280 253 F CB -0.840 38.062 39.000 -0.163 0.000 1.060 253 F HN 0.081 nan 8.300 nan 0.000 0.608 254 P HA -0.162 nan 4.420 nan 0.000 0.215 254 P C 1.819 179.123 177.300 0.008 0.000 1.157 254 P CA 2.184 65.301 63.100 0.029 0.000 0.868 254 P CB -0.267 31.450 31.700 0.028 0.000 0.788 255 S N 0.640 116.354 115.700 0.023 0.000 2.400 255 S HA -0.217 4.253 4.470 -0.000 0.000 0.234 255 S C 2.118 176.734 174.600 0.026 0.000 1.049 255 S CA 1.591 59.831 58.200 0.067 0.000 1.039 255 S CB -1.901 61.404 63.200 0.175 0.000 0.856 255 S HN 0.110 nan 8.310 nan 0.000 0.465 256 L N 1.206 122.374 121.223 -0.092 0.000 2.017 256 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 256 L C 2.436 179.272 176.870 -0.058 0.000 1.073 256 L CA 1.670 56.440 54.840 -0.116 0.000 0.745 256 L CB -0.763 41.140 42.059 -0.260 0.000 0.894 256 L HN 0.348 nan 8.230 nan 0.000 0.432 257 E N 0.336 120.502 120.200 -0.056 0.000 2.405 257 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 257 E C 1.689 178.278 176.600 -0.019 0.000 1.149 257 E CA -0.161 56.212 56.400 -0.045 0.000 0.933 257 E CB -0.074 29.605 29.700 -0.035 0.000 1.028 257 E HN 0.417 nan 8.360 nan 0.000 0.487 258 Q N 0.992 120.792 119.800 -0.001 0.000 2.082 258 Q HA -0.215 4.125 4.340 -0.000 0.000 0.211 258 Q C 0.236 176.249 176.000 0.021 0.000 1.002 258 Q CA 1.687 57.508 55.803 0.029 0.000 0.868 258 Q CB -0.001 28.768 28.738 0.051 0.000 0.931 258 Q HN 0.231 nan 8.270 nan 0.000 0.414 259 A N 0.544 123.359 122.820 -0.008 0.000 2.267 259 A HA 0.392 4.712 4.320 -0.000 0.000 0.315 259 A C 0.256 177.776 177.584 -0.107 0.000 1.297 259 A CA -0.092 51.922 52.037 -0.038 0.000 0.865 259 A CB 1.094 20.075 19.000 -0.031 0.000 1.165 259 A HN 0.398 nan 8.150 nan 0.000 0.513 260 S N 0.926 116.572 115.700 -0.091 0.000 2.554 260 S HA 0.030 4.500 4.470 -0.000 0.000 0.226 260 S C 0.890 175.407 174.600 -0.139 0.000 0.980 260 S CA 0.497 58.627 58.200 -0.117 0.000 0.939 260 S CB -0.002 63.155 63.200 -0.071 0.000 0.832 260 S HN 0.513 nan 8.310 nan 0.000 0.486 261 S N 1.550 117.166 115.700 -0.139 0.000 2.641 261 S HA 0.159 4.628 4.470 -0.000 0.000 0.239 261 S C 0.118 174.541 174.600 -0.295 0.000 0.972 261 S CA 0.398 58.536 58.200 -0.103 0.000 0.954 261 S CB -0.619 62.622 63.200 0.068 0.000 0.767 261 S HN 0.530 nan 8.310 nan 0.000 0.539 262 I N 1.142 121.439 120.570 -0.455 0.000 2.371 262 I HA 0.338 4.508 4.170 -0.000 0.000 0.282 262 I C 0.774 176.745 176.117 -0.244 0.000 1.031 262 I CA -0.243 60.741 61.300 -0.527 0.000 1.180 262 I CB 1.180 38.766 38.000 -0.691 0.000 1.336 262 I HN 0.017 nan 8.210 nan 0.000 0.467 263 A N 4.956 127.692 122.820 -0.139 0.000 1.956 263 A HA 0.231 4.551 4.320 -0.000 0.000 0.212 263 A C 1.073 178.613 177.584 -0.074 0.000 1.188 263 A CA 0.732 52.718 52.037 -0.084 0.000 0.675 263 A CB -0.031 18.944 19.000 -0.042 0.000 0.845 263 A HN 0.592 nan 8.150 nan 0.000 0.455 264 N N -1.018 117.643 118.700 -0.064 0.000 2.563 264 N HA 0.379 5.119 4.740 -0.000 0.000 0.288 264 N C 1.076 176.547 175.510 -0.064 0.000 1.246 264 N CA -0.083 52.938 53.050 -0.050 0.000 0.946 264 N CB 1.497 39.970 38.487 -0.023 0.000 1.213 264 N HN -0.097 nan 8.380 nan 0.000 0.578 265 V N 0.248 120.129 119.914 -0.055 0.000 2.488 265 V HA -0.118 4.002 4.120 -0.000 0.000 0.246 265 V C 1.495 177.561 176.094 -0.046 0.000 1.046 265 V CA 1.386 63.649 62.300 -0.062 0.000 1.053 265 V CB -0.315 31.474 31.823 -0.058 0.000 0.679 265 V HN 0.545 nan 8.190 nan 0.000 0.458 266 D N 0.464 120.848 120.400 -0.027 0.000 2.117 266 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 266 D C 1.818 178.128 176.300 0.018 0.000 0.982 266 D CA 1.543 55.537 54.000 -0.009 0.000 0.828 266 D CB -0.147 40.650 40.800 -0.005 0.000 0.967 266 D HN 0.409 nan 8.370 nan 0.000 0.464 267 D N 0.441 120.858 120.400 0.029 0.000 2.221 267 D HA -0.091 4.548 4.640 -0.000 0.000 0.204 267 D C 1.783 178.159 176.300 0.126 0.000 0.982 267 D CA 0.849 54.908 54.000 0.099 0.000 0.857 267 D CB -0.109 40.733 40.800 0.070 0.000 0.934 267 D HN 0.123 nan 8.370 nan 0.000 0.475 268 A N -0.421 122.403 122.820 0.006 0.000 2.167 268 A HA 0.052 4.372 4.320 -0.000 0.000 0.214 268 A C 1.730 179.316 177.584 0.003 0.000 1.151 268 A CA 0.499 52.515 52.037 -0.035 0.000 0.735 268 A CB -0.219 18.716 19.000 -0.108 0.000 0.802 268 A HN 0.236 nan 8.150 nan 0.000 0.467 269 L N -1.144 120.089 121.223 0.016 0.000 2.640 269 L HA 0.168 4.508 4.340 -0.000 0.000 0.230 269 L C 0.998 177.888 176.870 0.033 0.000 1.123 269 L CA 0.024 54.866 54.840 0.003 0.000 0.900 269 L CB 0.250 42.295 42.059 -0.024 0.000 1.146 269 L HN 0.110 nan 8.230 nan 0.000 0.484 270 D N -0.271 120.182 120.400 0.089 0.000 2.338 270 D HA 0.027 4.667 4.640 -0.000 0.000 0.224 270 D C 1.711 178.043 176.300 0.053 0.000 0.967 270 D CA 0.921 54.959 54.000 0.064 0.000 0.896 270 D CB 0.190 41.031 40.800 0.068 0.000 1.028 270 D HN 0.147 nan 8.370 nan 0.000 0.493 271 F N 0.694 120.628 119.950 -0.026 0.000 2.771 271 F HA 0.116 4.643 4.527 -0.000 0.000 0.299 271 F C 2.008 177.799 175.800 -0.015 0.000 1.177 271 F CA 0.548 58.538 58.000 -0.016 0.000 1.450 271 F CB 0.052 39.040 39.000 -0.021 0.000 1.114 271 F HN -0.032 nan 8.300 nan 0.000 0.587 272 I N -2.492 118.149 120.570 0.118 0.000 3.873 272 I HA 0.121 4.291 4.170 -0.000 0.000 0.284 272 I C 2.592 178.726 176.117 0.027 0.000 1.186 272 I CA 0.696 62.029 61.300 0.054 0.000 1.362 272 I CB -0.972 37.032 38.000 0.007 0.000 1.432 272 I HN -0.040 nan 8.210 nan 0.000 0.454 273 G N 1.684 110.493 108.800 0.014 0.000 2.469 273 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.220 273 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.220 273 G C 1.722 176.622 174.900 -0.001 0.000 1.136 273 G CA 1.459 46.560 45.100 0.002 0.000 0.759 273 G HN 0.491 nan 8.290 nan 0.000 0.562 274 S N 0.115 115.807 115.700 -0.013 0.000 2.469 274 S HA -0.010 4.460 4.470 -0.000 0.000 0.238 274 S C 1.915 176.512 174.600 -0.005 0.000 0.998 274 S CA 0.601 58.787 58.200 -0.024 0.000 0.957 274 S CB -0.160 63.002 63.200 -0.063 0.000 0.764 274 S HN 0.419 nan 8.310 nan 0.000 0.514 275 R N 0.846 121.355 120.500 0.015 0.000 2.346 275 R HA 0.278 4.618 4.340 -0.000 0.000 0.225 275 R C 0.088 176.414 176.300 0.044 0.000 0.987 275 R CA -0.035 56.086 56.100 0.035 0.000 1.106 275 R CB -0.154 30.181 30.300 0.058 0.000 1.090 275 R HN 0.358 nan 8.270 nan 0.000 0.502 276 V N -0.265 119.667 119.914 0.030 0.000 6.922 276 V HA 0.375 4.495 4.120 -0.000 0.000 0.263 276 V C 0.412 176.518 176.094 0.019 0.000 1.682 276 V CA -0.691 61.627 62.300 0.030 0.000 0.590 276 V CB 0.129 31.966 31.823 0.024 0.000 1.604 276 V HN 0.104 nan 8.190 nan 0.000 0.353 277 A N 0.961 123.789 122.820 0.013 0.000 2.362 277 A HA 0.524 4.844 4.320 -0.000 0.000 0.276 277 A C -0.302 177.283 177.584 0.001 0.000 1.153 277 A CA -0.133 51.908 52.037 0.008 0.000 0.813 277 A CB -0.381 18.624 19.000 0.007 0.000 1.081 277 A HN 0.426 nan 8.150 nan 0.000 0.507 278 I N 2.063 122.632 120.570 -0.002 0.000 2.474 278 I HA 0.391 4.561 4.170 -0.000 0.000 0.287 278 I C 1.411 177.523 176.117 -0.009 0.000 1.048 278 I CA 1.652 62.947 61.300 -0.008 0.000 1.383 278 I CB 0.569 38.563 38.000 -0.010 0.000 1.412 278 I HN 1.078 nan 8.210 nan 0.000 0.531 279 G N 5.071 113.864 108.800 -0.012 0.000 2.201 279 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.212 279 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.212 279 G C 0.331 175.226 174.900 -0.010 0.000 0.994 279 G CA -0.459 44.634 45.100 -0.011 0.000 0.644 279 G HN 0.566 nan 8.290 nan 0.000 0.508 280 Q N 0.907 120.702 119.800 -0.009 0.000 2.354 280 Q HA 0.457 4.797 4.340 -0.000 0.000 0.244 280 Q C 0.536 176.531 176.000 -0.010 0.000 0.969 280 Q CA -0.301 55.497 55.803 -0.008 0.000 0.885 280 Q CB 0.710 29.444 28.738 -0.007 0.000 1.241 280 Q HN 0.366 nan 8.270 nan 0.000 0.461 281 K N 1.371 121.766 120.400 -0.008 0.000 2.580 281 K HA -0.159 4.161 4.320 -0.000 0.000 0.278 281 K C 1.079 177.673 176.600 -0.010 0.000 0.960 281 K CA -0.039 56.243 56.287 -0.008 0.000 0.988 281 K CB 0.381 32.877 32.500 -0.007 0.000 0.887 281 K HN 0.460 nan 8.250 nan 0.000 0.509 282 R N 2.191 122.685 120.500 -0.010 0.000 2.117 282 R HA -0.179 4.161 4.340 -0.000 0.000 0.243 282 R C 1.344 177.639 176.300 -0.008 0.000 1.143 282 R CA 1.748 57.842 56.100 -0.010 0.000 0.968 282 R CB -0.129 30.166 30.300 -0.008 0.000 0.863 282 R HN 0.585 nan 8.270 nan 0.000 0.444 283 E N -0.408 119.788 120.200 -0.008 0.000 2.478 283 E HA 0.005 4.354 4.350 -0.000 0.000 0.194 283 E C 1.005 177.599 176.600 -0.009 0.000 1.045 283 E CA 0.243 56.639 56.400 -0.008 0.000 0.868 283 E CB 0.005 29.701 29.700 -0.007 0.000 0.885 283 E HN 0.212 nan 8.360 nan 0.000 0.505 284 N N -0.164 118.531 118.700 -0.009 0.000 2.422 284 N HA 0.018 4.758 4.740 -0.000 0.000 0.181 284 N C 0.947 176.451 175.510 -0.011 0.000 1.080 284 N CA 0.303 53.348 53.050 -0.009 0.000 0.893 284 N CB 0.231 38.714 38.487 -0.008 0.000 0.973 284 N HN 0.103 nan 8.380 nan 0.000 0.456 285 R N -0.090 120.403 120.500 -0.011 0.000 2.153 285 R HA 0.156 4.496 4.340 -0.000 0.000 0.218 285 R C 1.102 177.394 176.300 -0.014 0.000 1.072 285 R CA 0.602 56.695 56.100 -0.012 0.000 0.990 285 R CB 0.061 30.352 30.300 -0.013 0.000 0.889 285 R HN 0.183 nan 8.270 nan 0.000 0.452 286 I N 1.024 121.585 120.570 -0.015 0.000 2.400 286 I HA -0.088 4.082 4.170 -0.000 0.000 0.248 286 I C 1.889 177.990 176.117 -0.026 0.000 1.109 286 I CA 1.265 62.554 61.300 -0.020 0.000 1.425 286 I CB -0.898 37.091 38.000 -0.018 0.000 1.094 286 I HN 0.151 nan 8.210 nan 0.000 0.425 287 E N 1.050 121.237 120.200 -0.023 0.000 2.072 287 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 287 E C 1.636 178.214 176.600 -0.035 0.000 0.985 287 E CA 0.866 57.250 56.400 -0.027 0.000 0.801 287 E CB 0.018 29.706 29.700 -0.019 0.000 0.750 287 E HN 0.219 nan 8.360 nan 0.000 0.452 288 K N -0.497 119.884 120.400 -0.032 0.000 2.627 288 K HA 0.147 4.466 4.320 -0.000 0.000 0.212 288 K C 0.395 176.974 176.600 -0.035 0.000 1.041 288 K CA 0.172 56.435 56.287 -0.040 0.000 1.205 288 K CB 0.332 32.815 32.500 -0.028 0.000 0.936 288 K HN 0.069 nan 8.250 nan 0.000 0.489 289 A N -0.669 122.129 122.820 -0.037 0.000 2.140 289 A HA 0.089 4.409 4.320 -0.000 0.000 0.199 289 A C 1.587 179.133 177.584 -0.062 0.000 1.416 289 A CA -0.119 51.895 52.037 -0.038 0.000 1.018 289 A CB 0.222 19.204 19.000 -0.030 0.000 1.117 289 A HN 0.296 nan 8.150 nan 0.000 0.480 290 Q N -0.368 119.396 119.800 -0.061 0.000 2.269 290 Q HA -0.023 4.317 4.340 -0.000 0.000 0.201 290 Q C 1.924 177.883 176.000 -0.069 0.000 0.946 290 Q CA 1.095 56.856 55.803 -0.070 0.000 0.877 290 Q CB 0.116 28.822 28.738 -0.054 0.000 0.963 290 Q HN 0.740 nan 8.270 nan 0.000 0.472 291 Q N 0.156 119.913 119.800 -0.072 0.000 2.165 291 Q HA 0.063 4.403 4.340 -0.000 0.000 0.197 291 Q C 1.080 177.003 176.000 -0.130 0.000 0.952 291 Q CA 0.452 56.204 55.803 -0.085 0.000 0.848 291 Q CB 0.341 29.029 28.738 -0.084 0.000 0.931 291 Q HN 0.324 nan 8.270 nan 0.000 0.470 292 I N 1.657 122.130 120.570 -0.162 0.000 3.407 292 I HA -0.098 4.072 4.170 -0.000 0.000 0.308 292 I C 0.612 176.761 176.117 0.053 0.000 1.151 292 I CA 0.372 61.583 61.300 -0.147 0.000 1.258 292 I CB -0.276 37.667 38.000 -0.095 0.000 1.021 292 I HN 0.269 nan 8.210 nan 0.000 0.543 293 I N -0.752 119.826 120.570 0.013 0.000 4.547 293 I HA 0.008 4.178 4.170 -0.000 0.000 0.303 293 I C 1.598 177.751 176.117 0.060 0.000 1.188 293 I CA 0.451 61.746 61.300 -0.009 0.000 1.320 293 I CB -0.495 37.405 38.000 -0.168 0.000 1.495 293 I HN 0.136 nan 8.210 nan 0.000 0.462 294 D N 2.478 122.885 120.400 0.012 0.000 2.123 294 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 294 D C 2.018 178.319 176.300 0.001 0.000 0.976 294 D CA 1.311 55.309 54.000 -0.004 0.000 0.831 294 D CB 0.343 41.117 40.800 -0.042 0.000 0.974 294 D HN 0.480 nan 8.370 nan 0.000 0.469 295 K N -0.724 119.710 120.400 0.057 0.000 2.202 295 K HA -0.037 4.283 4.320 -0.000 0.000 0.201 295 K C 0.060 176.958 176.600 0.496 0.000 1.051 295 K CA 0.434 56.822 56.287 0.169 0.000 0.977 295 K CB 0.125 32.744 32.500 0.200 0.000 0.792 295 K HN 0.011 nan 8.250 nan 0.000 0.469 296 Y N 0.601 120.997 120.300 0.161 0.000 2.587 296 Y HA 0.464 5.014 4.550 -0.000 0.000 0.328 296 Y C -1.205 175.035 175.900 0.567 0.000 0.980 296 Y CA -2.104 56.157 58.100 0.267 0.000 1.272 296 Y CB 0.176 38.778 38.460 0.236 0.000 1.094 296 Y HN 0.177 nan 8.280 nan 0.000 0.503 297 F N 3.432 123.649 119.950 0.445 0.000 3.611 297 F HA 0.159 4.685 4.527 -0.000 0.000 0.349 297 F C -1.028 174.899 175.800 0.213 0.000 0.813 297 F CA -0.920 57.328 58.000 0.414 0.000 1.687 297 F CB -0.366 38.745 39.000 0.186 0.000 1.943 297 F HN 0.287 nan 8.300 nan 0.000 0.852 298 L N 4.297 125.531 121.223 0.018 0.000 3.671 298 L HA -0.178 4.162 4.340 -0.000 0.000 0.609 298 L C -2.068 174.937 176.870 0.224 0.000 1.251 298 L CA -0.062 54.787 54.840 0.015 0.000 0.934 298 L CB -0.824 41.072 42.059 -0.271 0.000 1.496 298 L HN 0.334 nan 8.230 nan 0.000 0.854 299 P HA -0.061 nan 4.420 nan 0.000 0.274 299 P C 0.961 178.374 177.300 0.188 0.000 1.370 299 P CA 0.742 63.942 63.100 0.166 0.000 0.760 299 P CB 0.010 31.776 31.700 0.110 0.000 1.308 300 H N -0.309 118.782 119.070 0.035 0.000 1.737 300 H HA 0.022 4.577 4.556 -0.000 0.000 0.329 300 H C 0.832 176.186 175.328 0.044 0.000 2.140 300 H CA -0.509 55.555 56.048 0.026 0.000 1.307 300 H CB -0.283 29.478 29.762 -0.001 0.000 1.616 300 H HN -0.035 nan 8.280 nan 0.000 0.440 301 L N 0.798 122.142 121.223 0.202 0.000 2.615 301 L HA 0.044 4.384 4.340 -0.000 0.000 0.271 301 L C 0.594 177.548 176.870 0.141 0.000 1.183 301 L CA 0.420 55.344 54.840 0.140 0.000 0.933 301 L CB -0.109 42.017 42.059 0.111 0.000 1.199 301 L HN 0.856 nan 8.230 nan 0.000 0.487 302 G N 2.274 111.139 108.800 0.109 0.000 2.781 302 G HA2 0.029 3.988 3.960 -0.000 0.000 0.468 302 G HA3 0.029 3.988 3.960 -0.000 0.000 0.468 302 G C -0.097 174.807 174.900 0.008 0.000 1.186 302 G CA -0.257 44.891 45.100 0.081 0.000 1.220 302 G HN 0.584 nan 8.290 nan 0.000 0.564 303 T N -0.395 114.127 114.554 -0.053 0.000 3.333 303 T HA 0.275 4.625 4.350 -0.000 0.000 0.289 303 T C 1.043 175.696 174.700 -0.079 0.000 0.866 303 T CA 0.602 62.571 62.100 -0.218 0.000 0.872 303 T CB 0.142 68.489 68.868 -0.868 0.000 1.227 303 T HN 1.650 nan 8.240 nan 0.000 0.676 304 S N 1.303 117.016 115.700 0.023 0.000 2.554 304 S HA 0.788 5.258 4.470 -0.000 0.000 0.278 304 S C 1.784 176.401 174.600 0.028 0.000 1.242 304 S CA -0.114 58.120 58.200 0.057 0.000 1.051 304 S CB 1.615 64.867 63.200 0.086 0.000 0.986 304 S HN 0.307 nan 8.310 nan 0.000 0.502 305 A N 2.393 125.228 122.820 0.024 0.000 1.893 305 A HA -0.276 4.043 4.320 -0.000 0.000 0.222 305 A C 1.988 179.570 177.584 -0.004 0.000 1.309 305 A CA 2.381 54.421 52.037 0.005 0.000 0.681 305 A CB -1.463 17.541 19.000 0.008 0.000 0.842 305 A HN 0.971 nan 8.150 nan 0.000 0.468 306 E N -0.504 119.698 120.200 0.003 0.000 2.208 306 E HA -0.098 4.251 4.350 -0.000 0.000 0.193 306 E C 0.070 176.666 176.600 -0.006 0.000 0.988 306 E CA 0.577 56.974 56.400 -0.006 0.000 0.828 306 E CB -0.113 29.587 29.700 0.001 0.000 0.763 306 E HN 0.483 nan 8.360 nan 0.000 0.478 307 D N 0.580 120.987 120.400 0.011 0.000 2.948 307 D HA 0.005 4.645 4.640 -0.000 0.000 0.241 307 D C 0.742 177.053 176.300 0.019 0.000 1.198 307 D CA 0.388 54.403 54.000 0.024 0.000 0.926 307 D CB 0.057 40.886 40.800 0.048 0.000 1.151 307 D HN 0.164 nan 8.370 nan 0.000 0.441 308 R N -0.317 120.175 120.500 -0.013 0.000 2.257 308 R HA 0.136 4.476 4.340 -0.000 0.000 0.195 308 R C 1.881 178.150 176.300 -0.052 0.000 0.921 308 R CA -0.048 56.034 56.100 -0.030 0.000 1.069 308 R CB 0.506 30.764 30.300 -0.069 0.000 1.115 308 R HN -0.025 nan 8.270 nan 0.000 0.571 309 K N 1.333 121.682 120.400 -0.085 0.000 2.057 309 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 309 K C 1.364 177.826 176.600 -0.231 0.000 1.049 309 K CA 1.276 57.461 56.287 -0.170 0.000 0.931 309 K CB 0.059 32.458 32.500 -0.169 0.000 0.714 309 K HN -0.034 nan 8.250 nan 0.000 0.440 310 K N 1.001 121.344 120.400 -0.095 0.000 2.505 310 K HA -0.037 4.282 4.320 -0.000 0.000 0.192 310 K C 1.136 177.845 176.600 0.182 0.000 1.025 310 K CA 0.540 56.829 56.287 0.003 0.000 1.086 310 K CB 0.270 32.809 32.500 0.065 0.000 0.840 310 K HN 0.167 nan 8.250 nan 0.000 0.514 311 K N -2.250 118.248 120.400 0.163 0.000 2.517 311 K HA 0.274 4.594 4.320 -0.000 0.000 0.210 311 K C 1.458 178.242 176.600 0.307 0.000 1.166 311 K CA 0.177 56.651 56.287 0.312 0.000 1.030 311 K CB 0.610 33.257 32.500 0.245 0.000 0.974 311 K HN -0.043 nan 8.250 nan 0.000 0.585 312 A N 1.064 123.968 122.820 0.140 0.000 1.969 312 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 312 A C 1.647 179.360 177.584 0.214 0.000 1.169 312 A CA 0.816 52.918 52.037 0.108 0.000 0.635 312 A CB -0.956 18.020 19.000 -0.040 0.000 0.810 312 A HN 0.447 nan 8.150 nan 0.000 0.445 313 Y N -2.102 118.241 120.300 0.071 0.000 2.274 313 Y HA -0.282 4.268 4.550 -0.000 0.000 0.290 313 Y C 1.967 177.798 175.900 -0.116 0.000 1.145 313 Y CA 1.132 59.203 58.100 -0.048 0.000 1.203 313 Y CB -0.182 38.206 38.460 -0.120 0.000 0.984 313 Y HN 0.466 nan 8.280 nan 0.000 0.533 314 Y N -1.312 119.241 120.300 0.421 0.000 2.544 314 Y HA -0.097 4.453 4.550 -0.000 0.000 0.286 314 Y C 1.761 177.810 175.900 0.249 0.000 1.141 314 Y CA 0.051 58.340 58.100 0.315 0.000 1.299 314 Y CB -0.164 38.410 38.460 0.191 0.000 1.030 314 Y HN 0.050 nan 8.280 nan 0.000 0.543 315 L N -0.289 121.146 121.223 0.353 0.000 2.027 315 L HA -0.174 4.166 4.340 -0.000 0.000 0.206 315 L C 2.588 179.646 176.870 0.312 0.000 1.074 315 L CA 1.829 56.884 54.840 0.358 0.000 0.745 315 L CB -1.120 41.207 42.059 0.446 0.000 0.898 315 L HN 0.190 nan 8.230 nan 0.000 0.433 316 A N -1.196 121.780 122.820 0.260 0.000 1.845 316 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 316 A C 2.093 179.645 177.584 -0.053 0.000 1.195 316 A CA 1.430 53.508 52.037 0.068 0.000 0.616 316 A CB -1.205 17.765 19.000 -0.050 0.000 0.832 316 A HN 0.441 nan 8.150 nan 0.000 0.443 317 Y N -0.257 120.060 120.300 0.029 0.000 2.680 317 Y HA 0.086 4.636 4.550 -0.000 0.000 0.303 317 Y C 2.303 178.278 175.900 0.124 0.000 1.166 317 Y CA 0.308 58.422 58.100 0.024 0.000 1.344 317 Y CB -0.096 38.299 38.460 -0.109 0.000 1.002 317 Y HN 0.397 nan 8.280 nan 0.000 0.537 318 A N -0.683 122.284 122.820 0.246 0.000 1.984 318 A HA 0.052 4.372 4.320 -0.000 0.000 0.203 318 A C 1.950 179.617 177.584 0.138 0.000 1.292 318 A CA 0.205 52.363 52.037 0.202 0.000 0.782 318 A CB -0.207 18.918 19.000 0.208 0.000 0.924 318 A HN 0.261 nan 8.150 nan 0.000 0.475 319 I N 1.489 122.116 120.570 0.094 0.000 2.226 319 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 319 I C 2.079 178.247 176.117 0.084 0.000 1.100 319 I CA 1.932 63.259 61.300 0.046 0.000 1.374 319 I CB -1.088 36.782 38.000 -0.217 0.000 1.057 319 I HN 0.459 nan 8.210 nan 0.000 0.413 320 S N 0.965 116.704 115.700 0.066 0.000 3.120 320 S HA 0.021 4.491 4.470 -0.000 0.000 0.259 320 S C 1.035 175.706 174.600 0.119 0.000 1.191 320 S CA 0.234 58.490 58.200 0.093 0.000 1.257 320 S CB -0.178 63.065 63.200 0.072 0.000 0.964 320 S HN 0.342 nan 8.310 nan 0.000 0.473 321 K N -0.542 119.926 120.400 0.112 0.000 2.706 321 K HA 0.133 4.452 4.320 -0.000 0.000 0.179 321 K C 1.169 177.808 176.600 0.065 0.000 1.768 321 K CA 0.963 57.307 56.287 0.096 0.000 1.281 321 K CB 0.179 32.745 32.500 0.110 0.000 1.819 321 K HN 0.358 nan 8.250 nan 0.000 0.602 322 V N 2.304 122.268 119.914 0.084 0.000 2.374 322 V HA -0.068 4.052 4.120 -0.000 0.000 0.241 322 V C 2.429 178.591 176.094 0.113 0.000 1.034 322 V CA 1.339 63.677 62.300 0.063 0.000 1.037 322 V CB -0.787 31.079 31.823 0.071 0.000 0.682 322 V HN 0.285 nan 8.190 nan 0.000 0.463 323 I N 0.258 120.960 120.570 0.221 0.000 2.286 323 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 323 I C 1.788 178.007 176.117 0.171 0.000 1.115 323 I CA 1.757 63.230 61.300 0.289 0.000 1.392 323 I CB -0.472 37.707 38.000 0.298 0.000 1.065 323 I HN 0.348 nan 8.210 nan 0.000 0.418 324 E N 0.823 121.091 120.200 0.113 0.000 2.860 324 E HA 0.025 4.375 4.350 -0.000 0.000 0.318 324 E C 0.394 177.009 176.600 0.025 0.000 1.481 324 E CA 0.004 56.451 56.400 0.078 0.000 1.613 324 E CB -0.028 29.723 29.700 0.086 0.000 1.279 324 E HN 0.562 nan 8.360 nan 0.000 0.489 325 L N 0.851 122.075 121.223 0.002 0.000 4.451 325 L HA -0.027 4.312 4.340 -0.000 0.000 0.483 325 L C 0.643 177.408 176.870 -0.175 0.000 0.849 325 L CA 0.149 54.911 54.840 -0.131 0.000 2.090 325 L CB -0.953 40.977 42.059 -0.215 0.000 2.430 325 L HN 0.353 nan 8.230 nan 0.000 0.555 326 Y N 0.795 121.013 120.300 -0.136 0.000 2.132 326 Y HA -0.159 4.391 4.550 -0.000 0.000 0.280 326 Y C 1.179 177.076 175.900 -0.005 0.000 1.193 326 Y CA 2.549 60.629 58.100 -0.033 0.000 1.157 326 Y CB 0.285 38.792 38.460 0.078 0.000 0.966 326 Y HN 0.171 nan 8.280 nan 0.000 0.511 327 L N 0.579 121.922 121.223 0.199 0.000 2.679 327 L HA 0.342 4.682 4.340 -0.000 0.000 0.238 327 L C 0.258 177.125 176.870 -0.005 0.000 1.330 327 L CA -0.179 54.725 54.840 0.106 0.000 0.935 327 L CB 0.178 42.319 42.059 0.137 0.000 1.243 327 L HN 0.285 nan 8.230 nan 0.000 0.484 328 G N 1.799 110.540 108.800 -0.098 0.000 2.296 328 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.263 328 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.263 328 G C 0.725 175.428 174.900 -0.327 0.000 0.887 328 G CA -0.019 44.955 45.100 -0.210 0.000 1.318 328 G HN 0.554 nan 8.290 nan 0.000 0.403 329 R N 0.619 120.988 120.500 -0.218 0.000 2.250 329 R HA 0.122 4.462 4.340 -0.000 0.000 0.194 329 R C 2.344 178.541 176.300 -0.171 0.000 0.927 329 R CA 1.489 57.483 56.100 -0.177 0.000 1.052 329 R CB 0.163 30.482 30.300 0.032 0.000 1.055 329 R HN 0.801 nan 8.270 nan 0.000 0.537 330 R N -0.460 119.952 120.500 -0.146 0.000 2.635 330 R HA 0.266 4.606 4.340 -0.000 0.000 0.241 330 R C -0.434 175.809 176.300 -0.095 0.000 0.941 330 R CA -0.321 55.728 56.100 -0.084 0.000 1.014 330 R CB 0.895 31.180 30.300 -0.026 0.000 1.517 330 R HN -0.077 nan 8.270 nan 0.000 0.594 331 E N 1.760 121.887 120.200 -0.122 0.000 7.594 331 E HA -0.083 4.267 4.350 -0.000 0.000 0.456 331 E C -2.359 174.202 176.600 -0.064 0.000 0.371 331 E CA -0.108 56.235 56.400 -0.094 0.000 0.673 331 E CB 0.068 29.721 29.700 -0.078 0.000 0.967 331 E HN 0.141 nan 8.360 nan 0.000 0.264 332 P HA -0.145 nan 4.420 nan 0.000 0.262 332 P C -0.610 176.678 177.300 -0.021 0.000 1.151 332 P CA 0.615 63.700 63.100 -0.026 0.000 0.757 332 P CB 0.361 32.061 31.700 -0.001 0.000 0.754 333 D N 2.112 122.501 120.400 -0.019 0.000 2.458 333 D HA -0.036 4.603 4.640 -0.000 0.000 0.243 333 D C 0.260 176.550 176.300 -0.016 0.000 1.146 333 D CA 0.617 54.603 54.000 -0.023 0.000 0.877 333 D CB 0.255 41.043 40.800 -0.021 0.000 1.176 333 D HN 0.314 nan 8.370 nan 0.000 0.461 334 D N 1.671 122.061 120.400 -0.017 0.000 2.352 334 D HA 0.002 4.642 4.640 -0.000 0.000 0.245 334 D C 0.163 176.453 176.300 -0.016 0.000 1.224 334 D CA -0.347 53.660 54.000 0.012 0.000 0.879 334 D CB 0.351 41.186 40.800 0.059 0.000 1.057 334 D HN 0.230 nan 8.370 nan 0.000 0.491 335 K N 2.019 122.394 120.400 -0.042 0.000 2.708 335 K HA 0.223 4.543 4.320 -0.000 0.000 0.219 335 K C -0.441 176.051 176.600 -0.179 0.000 1.068 335 K CA -0.343 55.891 56.287 -0.088 0.000 1.212 335 K CB 0.602 33.066 32.500 -0.060 0.000 0.978 335 K HN 0.171 nan 8.250 nan 0.000 0.475 336 D N 0.390 120.615 120.400 -0.292 0.000 2.582 336 D HA -0.008 4.632 4.640 -0.000 0.000 0.246 336 D C -0.843 174.900 176.300 -0.929 0.000 1.334 336 D CA -0.229 53.425 54.000 -0.576 0.000 0.805 336 D CB 0.276 40.755 40.800 -0.534 0.000 1.087 336 D HN 0.331 nan 8.370 nan 0.000 0.499 337 H N 0.096 118.829 119.070 -0.563 0.000 2.668 337 H HA 0.111 4.667 4.556 -0.000 0.000 0.303 337 H C -0.005 175.189 175.328 -0.223 0.000 1.074 337 H CA -0.091 55.810 56.048 -0.244 0.000 1.406 337 H CB 0.262 30.031 29.762 0.011 0.000 1.442 337 H HN -0.074 nan 8.280 nan 0.000 0.482 338 Y N 3.818 123.850 120.300 -0.446 0.000 2.570 338 Y HA 0.095 4.644 4.550 -0.000 0.000 0.358 338 Y C 1.084 176.862 175.900 -0.203 0.000 1.185 338 Y CA 0.690 58.632 58.100 -0.263 0.000 1.299 338 Y CB -0.107 38.248 38.460 -0.174 0.000 1.219 338 Y HN 0.779 nan 8.280 nan 0.000 0.482 339 A N -1.008 121.771 122.820 -0.069 0.000 2.701 339 A HA 0.103 4.423 4.320 -0.000 0.000 0.241 339 A C 1.062 178.678 177.584 0.053 0.000 1.231 339 A CA 0.004 52.069 52.037 0.046 0.000 1.003 339 A CB 0.082 19.154 19.000 0.121 0.000 1.281 339 A HN 0.362 nan 8.150 nan 0.000 0.600 340 N N -0.055 118.662 118.700 0.028 0.000 2.177 340 N HA 0.185 4.924 4.740 -0.000 0.000 0.218 340 N C -0.384 175.074 175.510 -0.087 0.000 1.182 340 N CA 0.291 53.335 53.050 -0.010 0.000 0.882 340 N CB 0.183 38.688 38.487 0.029 0.000 1.052 340 N HN 0.214 nan 8.380 nan 0.000 0.519 341 K N 0.337 120.654 120.400 -0.137 0.000 2.601 341 K HA 0.407 4.727 4.320 -0.000 0.000 0.249 341 K C -1.171 175.380 176.600 -0.081 0.000 0.966 341 K CA -0.583 55.590 56.287 -0.189 0.000 0.827 341 K CB 1.171 33.404 32.500 -0.444 0.000 1.178 341 K HN 0.015 nan 8.250 nan 0.000 0.437 342 R N 2.790 123.270 120.500 -0.033 0.000 2.787 342 R HA 0.498 4.838 4.340 -0.000 0.000 0.271 342 R C -0.649 175.667 176.300 0.026 0.000 0.993 342 R CA -1.057 55.051 56.100 0.014 0.000 0.993 342 R CB 0.990 31.292 30.300 0.003 0.000 1.155 342 R HN 0.250 nan 8.270 nan 0.000 0.486 343 L N 0.788 122.033 121.223 0.036 0.000 2.544 343 L HA 0.520 4.860 4.340 -0.000 0.000 0.256 343 L C 0.064 176.942 176.870 0.013 0.000 1.097 343 L CA -0.278 54.580 54.840 0.028 0.000 0.812 343 L CB 0.559 42.633 42.059 0.024 0.000 1.440 343 L HN 0.424 nan 8.230 nan 0.000 0.496 344 R N 0.628 121.133 120.500 0.008 0.000 2.585 344 R HA 0.441 4.781 4.340 -0.000 0.000 0.288 344 R C -1.746 174.558 176.300 0.006 0.000 1.194 344 R CA -0.664 55.444 56.100 0.013 0.000 1.006 344 R CB 1.327 31.639 30.300 0.019 0.000 1.229 344 R HN 0.268 nan 8.270 nan 0.000 0.412 345 L N 1.522 122.739 121.223 -0.010 0.000 2.387 345 L HA 0.499 4.839 4.340 -0.000 0.000 0.266 345 L C 1.685 178.603 176.870 0.079 0.000 1.059 345 L CA 0.303 55.106 54.840 -0.061 0.000 0.801 345 L CB 0.961 42.912 42.059 -0.181 0.000 1.223 345 L HN 0.760 nan 8.230 nan 0.000 0.456 346 A N 1.741 124.689 122.820 0.213 0.000 1.887 346 A HA -0.285 4.035 4.320 -0.000 0.000 0.225 346 A C 2.007 179.749 177.584 0.264 0.000 1.464 346 A CA 2.740 54.990 52.037 0.355 0.000 0.717 346 A CB -1.838 17.459 19.000 0.495 0.000 0.848 346 A HN 0.990 nan 8.150 nan 0.000 0.477 347 G N 0.653 109.586 108.800 0.220 0.000 3.911 347 G HA2 -0.479 3.481 3.960 -0.000 0.000 0.245 347 G HA3 -0.479 3.481 3.960 -0.000 0.000 0.245 347 G C 0.763 175.782 174.900 0.199 0.000 0.892 347 G CA 1.858 47.069 45.100 0.185 0.000 0.727 347 G HN 0.827 nan 8.290 nan 0.000 1.411 348 D N 0.196 120.695 120.400 0.166 0.000 2.392 348 D HA 0.053 4.692 4.640 -0.000 0.000 0.228 348 D C 1.884 178.262 176.300 0.129 0.000 1.003 348 D CA 0.406 54.498 54.000 0.154 0.000 0.917 348 D CB -0.004 40.853 40.800 0.095 0.000 0.890 348 D HN 0.244 nan 8.370 nan 0.000 0.532 349 L N -1.509 119.790 121.223 0.128 0.000 2.515 349 L HA 0.330 4.670 4.340 -0.000 0.000 0.223 349 L C 1.372 178.284 176.870 0.070 0.000 1.079 349 L CA 0.444 55.336 54.840 0.087 0.000 0.857 349 L CB -0.359 41.753 42.059 0.088 0.000 1.050 349 L HN -0.022 nan 8.230 nan 0.000 0.476 350 F N -0.503 119.397 119.950 -0.083 0.000 2.473 350 F HA 0.132 4.659 4.527 -0.000 0.000 0.294 350 F C 2.193 177.956 175.800 -0.061 0.000 1.103 350 F CA 0.868 58.732 58.000 -0.226 0.000 1.442 350 F CB 0.167 38.814 39.000 -0.588 0.000 1.097 350 F HN 0.086 nan 8.300 nan 0.000 0.547 351 A N -0.978 122.048 122.820 0.343 0.000 1.897 351 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 351 A C 2.283 180.083 177.584 0.360 0.000 1.181 351 A CA 1.808 54.195 52.037 0.584 0.000 0.620 351 A CB -1.013 18.272 19.000 0.476 0.000 0.821 351 A HN 0.276 nan 8.150 nan 0.000 0.443 352 S N -0.638 115.178 115.700 0.194 0.000 2.453 352 S HA -0.041 4.429 4.470 -0.000 0.000 0.231 352 S C 1.741 176.379 174.600 0.064 0.000 1.005 352 S CA 1.064 59.325 58.200 0.101 0.000 0.949 352 S CB -0.263 62.955 63.200 0.029 0.000 0.774 352 S HN 0.483 nan 8.310 nan 0.000 0.510 353 L N 0.731 121.988 121.223 0.056 0.000 2.007 353 L HA 0.109 4.449 4.340 -0.000 0.000 0.205 353 L C 1.863 178.795 176.870 0.102 0.000 1.073 353 L CA 1.641 56.481 54.840 -0.001 0.000 0.744 353 L CB -0.868 41.085 42.059 -0.177 0.000 0.898 353 L HN 0.271 nan 8.230 nan 0.000 0.435 354 F N 1.008 121.014 119.950 0.092 0.000 2.025 354 F HA -0.325 4.201 4.527 -0.000 0.000 0.297 354 F C 2.860 178.765 175.800 0.176 0.000 1.132 354 F CA 2.499 60.611 58.000 0.186 0.000 1.191 354 F CB -0.629 38.587 39.000 0.360 0.000 0.963 354 F HN 0.228 nan 8.300 nan 0.000 0.481 355 R N 0.070 120.886 120.500 0.527 0.000 2.224 355 R HA -0.299 4.041 4.340 -0.000 0.000 0.251 355 R C 2.167 178.596 176.300 0.216 0.000 1.123 355 R CA 2.862 59.174 56.100 0.353 0.000 0.944 355 R CB -1.391 29.050 30.300 0.236 0.000 0.910 355 R HN 0.419 nan 8.270 nan 0.000 0.440 356 V N 0.404 120.390 119.914 0.120 0.000 2.283 356 V HA -0.110 4.010 4.120 -0.000 0.000 0.243 356 V C 2.467 178.602 176.094 0.069 0.000 1.039 356 V CA 2.045 64.394 62.300 0.083 0.000 1.016 356 V CB -0.589 31.246 31.823 0.019 0.000 0.650 356 V HN 0.635 nan 8.190 nan 0.000 0.449 357 A N -0.558 122.270 122.820 0.014 0.000 1.954 357 A HA -0.356 3.964 4.320 -0.000 0.000 0.222 357 A C 2.156 179.685 177.584 -0.093 0.000 1.199 357 A CA 2.786 54.790 52.037 -0.054 0.000 0.657 357 A CB -1.089 17.816 19.000 -0.158 0.000 0.823 357 A HN 0.738 nan 8.150 nan 0.000 0.463 358 F N 0.057 119.781 119.950 -0.378 0.000 2.074 358 F HA -0.085 4.441 4.527 -0.000 0.000 0.293 358 F C 2.182 177.993 175.800 0.018 0.000 1.116 358 F CA 2.148 59.974 58.000 -0.290 0.000 1.212 358 F CB -0.153 38.641 39.000 -0.343 0.000 0.998 358 F HN 0.130 nan 8.300 nan 0.000 0.471 359 K N 0.718 121.177 120.400 0.100 0.000 2.293 359 K HA -0.202 4.118 4.320 -0.000 0.000 0.204 359 K C 1.787 178.374 176.600 -0.020 0.000 1.045 359 K CA 1.315 57.620 56.287 0.031 0.000 0.933 359 K CB -0.518 32.052 32.500 0.117 0.000 0.736 359 K HN 0.420 nan 8.250 nan 0.000 0.463 360 A N -0.489 122.337 122.820 0.010 0.000 1.878 360 A HA -0.001 4.319 4.320 -0.000 0.000 0.213 360 A C 2.011 179.592 177.584 -0.004 0.000 1.192 360 A CA 0.883 52.936 52.037 0.026 0.000 0.619 360 A CB -0.679 18.361 19.000 0.066 0.000 0.837 360 A HN 0.496 nan 8.150 nan 0.000 0.446 361 F N 0.393 120.219 119.950 -0.207 0.000 2.365 361 F HA -0.071 4.455 4.527 -0.000 0.000 0.300 361 F C 1.596 177.218 175.800 -0.297 0.000 1.090 361 F CA 1.399 59.261 58.000 -0.231 0.000 1.408 361 F CB 0.119 38.997 39.000 -0.204 0.000 1.060 361 F HN 0.010 nan 8.300 nan 0.000 0.534 362 V N 0.785 120.564 119.914 -0.224 0.000 2.649 362 V HA -0.172 3.947 4.120 -0.000 0.000 0.248 362 V C 2.383 178.344 176.094 -0.221 0.000 1.054 362 V CA 1.630 63.737 62.300 -0.321 0.000 1.073 362 V CB -0.532 31.068 31.823 -0.372 0.000 0.699 362 V HN 0.289 nan 8.190 nan 0.000 0.463 363 K N -0.100 120.214 120.400 -0.143 0.000 2.365 363 K HA -0.182 4.138 4.320 -0.000 0.000 0.199 363 K C 1.650 178.175 176.600 -0.126 0.000 1.045 363 K CA 1.212 57.456 56.287 -0.073 0.000 0.962 363 K CB -0.006 32.495 32.500 0.001 0.000 0.759 363 K HN 0.464 nan 8.250 nan 0.000 0.469 364 D N 0.578 120.817 120.400 -0.268 0.000 2.085 364 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 364 D C 1.874 177.901 176.300 -0.454 0.000 0.981 364 D CA 0.642 54.370 54.000 -0.454 0.000 0.834 364 D CB 0.019 40.541 40.800 -0.462 0.000 0.992 364 D HN 0.019 nan 8.370 nan 0.000 0.457 365 L N 0.575 121.524 121.223 -0.456 0.000 1.997 365 L HA -0.223 4.117 4.340 -0.000 0.000 0.216 365 L C 2.423 179.178 176.870 -0.191 0.000 1.074 365 L CA 2.021 56.648 54.840 -0.355 0.000 0.763 365 L CB -1.061 40.769 42.059 -0.382 0.000 0.890 365 L HN 0.113 nan 8.230 nan 0.000 0.434 366 T N -1.476 112.998 114.554 -0.134 0.000 2.665 366 T HA -0.333 4.016 4.350 -0.000 0.000 0.268 366 T C 1.695 176.414 174.700 0.032 0.000 1.035 366 T CA 2.188 64.266 62.100 -0.037 0.000 1.151 366 T CB -0.728 68.133 68.868 -0.011 0.000 0.862 366 T HN 0.663 nan 8.240 nan 0.000 0.438 367 Y N 0.998 121.256 120.300 -0.070 0.000 2.314 367 Y HA -0.054 4.495 4.550 -0.000 0.000 0.293 367 Y C 2.673 178.539 175.900 -0.056 0.000 1.129 367 Y CA 0.713 58.782 58.100 -0.053 0.000 1.201 367 Y CB -0.144 38.289 38.460 -0.045 0.000 0.999 367 Y HN 0.127 nan 8.280 nan 0.000 0.541 368 Q N 1.214 120.984 119.800 -0.051 0.000 2.083 368 Q HA -0.082 4.258 4.340 -0.000 0.000 0.198 368 Q C 2.105 178.104 176.000 -0.003 0.000 0.969 368 Q CA 1.672 57.436 55.803 -0.064 0.000 0.838 368 Q CB -0.245 28.351 28.738 -0.236 0.000 0.900 368 Q HN 0.661 nan 8.270 nan 0.000 0.436 369 L N 0.050 121.256 121.223 -0.028 0.000 2.072 369 L HA -0.135 4.204 4.340 -0.000 0.000 0.205 369 L C 2.179 179.058 176.870 0.015 0.000 1.079 369 L CA 1.295 56.126 54.840 -0.014 0.000 0.752 369 L CB -0.213 41.828 42.059 -0.031 0.000 0.906 369 L HN 0.305 nan 8.230 nan 0.000 0.436 370 E N -0.188 120.033 120.200 0.035 0.000 2.130 370 E HA -0.269 4.080 4.350 -0.000 0.000 0.196 370 E C 1.822 178.441 176.600 0.032 0.000 0.998 370 E CA 1.516 57.937 56.400 0.035 0.000 0.806 370 E CB 0.124 29.851 29.700 0.044 0.000 0.738 370 E HN 0.557 nan 8.360 nan 0.000 0.459 371 K N -0.139 120.289 120.400 0.047 0.000 2.139 371 K HA 0.054 4.374 4.320 -0.000 0.000 0.217 371 K C 2.019 178.634 176.600 0.026 0.000 1.025 371 K CA 0.750 57.058 56.287 0.035 0.000 0.947 371 K CB -0.537 31.990 32.500 0.045 0.000 0.897 371 K HN 0.055 nan 8.250 nan 0.000 0.457 372 S N 0.985 116.703 115.700 0.030 0.000 2.443 372 S HA -0.354 4.116 4.470 -0.000 0.000 0.501 372 S C 0.507 175.114 174.600 0.010 0.000 1.004 372 S CA 2.169 60.379 58.200 0.016 0.000 3.025 372 S CB -0.857 62.345 63.200 0.004 0.000 2.164 372 S HN 0.369 nan 8.310 nan 0.000 0.526 373 K N -0.001 120.404 120.400 0.008 0.000 2.652 373 K HA 0.640 4.960 4.320 -0.000 0.000 0.249 373 K C -0.025 176.579 176.600 0.007 0.000 0.986 373 K CA 0.187 56.478 56.287 0.007 0.000 0.867 373 K CB 2.070 34.573 32.500 0.005 0.000 1.201 373 K HN 0.195 nan 8.250 nan 0.000 0.450 374 V N 2.456 122.375 119.914 0.007 0.000 3.541 374 V HA 0.157 4.276 4.120 -0.000 0.000 0.267 374 V C 0.623 176.720 176.094 0.006 0.000 1.213 374 V CA 0.205 62.509 62.300 0.006 0.000 1.149 374 V CB -0.697 31.129 31.823 0.006 0.000 0.822 374 V HN 0.493 nan 8.190 nan 0.000 0.462 375 R N 1.529 122.032 120.500 0.006 0.000 2.490 375 R HA 0.455 4.795 4.340 -0.000 0.000 0.280 375 R C 0.982 177.285 176.300 0.006 0.000 1.077 375 R CA 0.208 56.311 56.100 0.005 0.000 1.065 375 R CB 0.495 30.798 30.300 0.005 0.000 1.003 375 R HN 0.369 nan 8.270 nan 0.000 0.470 376 G N 3.087 111.890 108.800 0.006 0.000 2.148 376 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.275 376 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.275 376 G C -0.042 174.862 174.900 0.007 0.000 0.979 376 G CA 0.291 45.395 45.100 0.006 0.000 1.154 376 G HN 0.738 nan 8.290 nan 0.000 0.377 377 R N 1.454 121.959 120.500 0.008 0.000 1.124 377 R HA -0.127 4.213 4.340 -0.000 0.000 0.425 377 R C -0.610 175.694 176.300 0.008 0.000 1.336 377 R CA 0.452 56.557 56.100 0.008 0.000 0.984 377 R CB -0.657 29.648 30.300 0.009 0.000 3.079 377 R HN 0.606 nan 8.270 nan 0.000 0.509 378 K N 4.447 124.852 120.400 0.008 0.000 3.474 378 K HA 0.177 4.497 4.320 -0.000 0.000 0.117 378 K C -0.819 175.786 176.600 0.007 0.000 1.030 378 K CA -0.001 56.290 56.287 0.007 0.000 0.880 378 K CB -0.013 32.490 32.500 0.006 0.000 0.736 378 K HN 0.477 nan 8.250 nan 0.000 0.359 379 L N 1.227 122.456 121.223 0.010 0.000 3.029 379 L HA 0.467 4.807 4.340 -0.000 0.000 0.231 379 L C 0.169 177.049 176.870 0.016 0.000 1.327 379 L CA -0.586 54.260 54.840 0.011 0.000 1.166 379 L CB 0.513 42.580 42.059 0.013 0.000 1.532 379 L HN 0.239 nan 8.230 nan 0.000 0.473 380 A N 0.592 123.421 122.820 0.015 0.000 2.539 380 A HA 0.309 4.628 4.320 -0.000 0.000 0.306 380 A C 1.280 178.876 177.584 0.020 0.000 1.392 380 A CA -0.318 51.732 52.037 0.021 0.000 1.060 380 A CB 0.161 19.171 19.000 0.018 0.000 1.134 380 A HN 0.577 nan 8.150 nan 0.000 0.542 381 L N 2.290 123.531 121.223 0.030 0.000 2.042 381 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 381 L C 2.464 179.356 176.870 0.037 0.000 1.076 381 L CA 1.459 56.317 54.840 0.030 0.000 0.749 381 L CB -0.290 41.802 42.059 0.055 0.000 0.893 381 L HN 0.771 nan 8.230 nan 0.000 0.432 382 K N 0.980 121.413 120.400 0.054 0.000 2.675 382 K HA -0.135 4.185 4.320 -0.000 0.000 0.194 382 K C 0.822 177.440 176.600 0.031 0.000 1.029 382 K CA 0.982 57.303 56.287 0.057 0.000 0.980 382 K CB 0.034 32.568 32.500 0.056 0.000 0.803 382 K HN 0.350 nan 8.250 nan 0.000 0.493 383 A N 0.056 122.884 122.820 0.014 0.000 2.661 383 A HA 0.273 4.593 4.320 -0.000 0.000 0.278 383 A C 0.820 178.390 177.584 -0.022 0.000 1.090 383 A CA -0.458 51.578 52.037 -0.001 0.000 0.969 383 A CB 0.536 19.537 19.000 0.001 0.000 1.240 383 A HN 0.262 nan 8.150 nan 0.000 0.578 384 L N -1.139 120.061 121.223 -0.040 0.000 3.017 384 L HA 0.245 4.585 4.340 -0.000 0.000 0.265 384 L C -0.004 176.775 176.870 -0.151 0.000 1.128 384 L CA 0.154 54.940 54.840 -0.089 0.000 0.984 384 L CB 0.777 42.784 42.059 -0.087 0.000 1.464 384 L HN 0.054 nan 8.230 nan 0.000 0.556 385 V N 2.096 121.949 119.914 -0.102 0.000 2.508 385 V HA 0.142 4.262 4.120 -0.000 0.000 0.281 385 V C 0.353 176.443 176.094 -0.006 0.000 1.041 385 V CA 0.048 62.293 62.300 -0.092 0.000 1.016 385 V CB 0.924 32.823 31.823 0.127 0.000 0.984 385 V HN 0.232 nan 8.190 nan 0.000 0.478 386 R N 6.047 126.542 120.500 -0.009 0.000 2.407 386 R HA 0.381 4.721 4.340 -0.000 0.000 0.303 386 R C -2.473 173.895 176.300 0.114 0.000 0.981 386 R CA -1.864 54.252 56.100 0.026 0.000 0.905 386 R CB 1.258 31.533 30.300 -0.041 0.000 1.099 386 R HN 0.455 nan 8.270 nan 0.000 0.459 387 P HA -0.073 nan 4.420 nan 0.000 0.259 387 P C -0.810 176.529 177.300 0.064 0.000 1.211 387 P CA 0.524 63.666 63.100 0.070 0.000 0.810 387 P CB 0.263 31.985 31.700 0.037 0.000 0.815 388 D N 1.680 122.128 120.400 0.079 0.000 3.099 388 D HA -0.138 4.502 4.640 -0.000 0.000 0.213 388 D C 1.088 177.418 176.300 0.049 0.000 1.121 388 D CA 0.288 54.320 54.000 0.053 0.000 0.951 388 D CB -0.790 40.033 40.800 0.038 0.000 1.102 388 D HN 0.281 nan 8.370 nan 0.000 0.423 389 I N 0.192 120.812 120.570 0.084 0.000 2.315 389 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 389 I C 2.669 178.818 176.117 0.053 0.000 1.125 389 I CA 1.015 62.361 61.300 0.076 0.000 1.392 389 I CB -1.093 36.983 38.000 0.127 0.000 1.065 389 I HN 0.072 nan 8.210 nan 0.000 0.424 390 V N 0.690 120.619 119.914 0.025 0.000 2.379 390 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 390 V C 2.473 178.556 176.094 -0.018 0.000 1.044 390 V CA 2.218 64.483 62.300 -0.058 0.000 1.036 390 V CB -1.206 30.521 31.823 -0.160 0.000 0.664 390 V HN 0.432 nan 8.190 nan 0.000 0.453 391 T N -0.470 114.092 114.554 0.014 0.000 2.894 391 T HA -0.092 4.258 4.350 -0.000 0.000 0.258 391 T C 1.747 176.465 174.700 0.031 0.000 1.043 391 T CA 1.100 63.220 62.100 0.033 0.000 1.141 391 T CB -0.212 68.684 68.868 0.047 0.000 0.873 391 T HN 0.489 nan 8.240 nan 0.000 0.449 392 E N 0.736 120.949 120.200 0.023 0.000 2.338 392 E HA 0.008 4.358 4.350 -0.000 0.000 0.197 392 E C 2.009 178.624 176.600 0.025 0.000 1.007 392 E CA 0.399 56.809 56.400 0.016 0.000 0.849 392 E CB 0.039 29.734 29.700 -0.009 0.000 0.774 392 E HN 0.229 nan 8.360 nan 0.000 0.506 393 R N 0.335 120.850 120.500 0.025 0.000 2.466 393 R HA 0.210 4.550 4.340 -0.000 0.000 0.279 393 R C 1.029 177.355 176.300 0.042 0.000 0.976 393 R CA 0.041 56.166 56.100 0.042 0.000 1.081 393 R CB 0.327 30.655 30.300 0.047 0.000 1.215 393 R HN 0.181 nan 8.270 nan 0.000 0.546 394 I N -0.540 120.039 120.570 0.015 0.000 4.655 394 I HA 0.046 4.216 4.170 -0.000 0.000 0.333 394 I C 1.854 177.935 176.117 -0.060 0.000 1.312 394 I CA 0.005 61.281 61.300 -0.039 0.000 1.270 394 I CB 0.325 38.311 38.000 -0.024 0.000 1.318 394 I HN 0.056 nan 8.210 nan 0.000 0.456 395 R N -0.691 119.812 120.500 0.005 0.000 2.195 395 R HA -0.012 4.328 4.340 -0.000 0.000 0.197 395 R C 1.185 177.505 176.300 0.033 0.000 0.990 395 R CA 0.631 56.740 56.100 0.014 0.000 1.048 395 R CB -0.379 29.953 30.300 0.053 0.000 0.997 395 R HN 0.261 nan 8.270 nan 0.000 0.502 396 H N 0.207 119.255 119.070 -0.036 0.000 2.749 396 H HA 0.381 4.937 4.556 -0.000 0.000 0.306 396 H C -0.059 175.249 175.328 -0.032 0.000 1.091 396 H CA 0.455 56.480 56.048 -0.039 0.000 1.180 396 H CB 0.379 30.108 29.762 -0.055 0.000 1.349 396 H HN 0.445 nan 8.280 nan 0.000 0.570 397 A N 0.036 122.785 122.820 -0.118 0.000 2.554 397 A HA 0.192 4.512 4.320 -0.000 0.000 0.266 397 A C 0.447 177.950 177.584 -0.135 0.000 0.938 397 A CA -0.094 51.882 52.037 -0.101 0.000 1.045 397 A CB -0.210 18.803 19.000 0.021 0.000 1.198 397 A HN 0.375 nan 8.150 nan 0.000 0.528 398 L N -2.444 118.692 121.223 -0.145 0.000 3.154 398 L HA 0.628 4.968 4.340 -0.000 0.000 0.280 398 L C 1.738 178.560 176.870 -0.080 0.000 1.134 398 L CA 1.621 56.365 54.840 -0.160 0.000 1.037 398 L CB 0.162 42.068 42.059 -0.254 0.000 1.571 398 L HN 0.187 nan 8.230 nan 0.000 0.576 399 A N -1.357 121.418 122.820 -0.074 0.000 1.924 399 A HA 0.075 4.395 4.320 -0.000 0.000 0.211 399 A C 2.103 179.646 177.584 -0.069 0.000 1.198 399 A CA 1.590 53.606 52.037 -0.035 0.000 0.657 399 A CB -0.516 18.487 19.000 0.004 0.000 0.852 399 A HN 0.329 nan 8.150 nan 0.000 0.454 400 T N -1.718 112.736 114.554 -0.167 0.000 3.039 400 T HA 0.412 4.762 4.350 -0.000 0.000 0.250 400 T C 0.636 175.259 174.700 -0.130 0.000 1.052 400 T CA 1.405 63.387 62.100 -0.197 0.000 1.125 400 T CB 0.045 68.642 68.868 -0.451 0.000 0.908 400 T HN 1.530 nan 8.240 nan 0.000 0.473 401 G N 1.941 110.672 108.800 -0.114 0.000 2.492 401 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.283 401 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.283 401 G C -0.069 174.814 174.900 -0.028 0.000 1.274 401 G CA -0.194 44.875 45.100 -0.052 0.000 1.215 401 G HN 0.338 nan 8.290 nan 0.000 0.598 402 N N -0.419 118.271 118.700 -0.017 0.000 0.892 402 N HA -0.258 4.482 4.740 -0.000 0.000 0.163 402 N C 1.141 176.749 175.510 0.164 0.000 0.288 402 N CA 3.294 56.355 53.050 0.018 0.000 0.847 402 N CB -0.037 38.446 38.487 -0.007 0.000 1.782 402 N HN 1.466 nan 8.380 nan 0.000 0.638 403 W N -2.771 118.489 121.300 -0.067 0.000 4.093 403 W HA -0.130 4.529 4.660 -0.000 0.000 0.315 403 W C 1.007 177.505 176.519 -0.034 0.000 3.450 403 W CA 2.392 59.710 57.345 -0.044 0.000 1.365 403 W CB -1.287 28.150 29.460 -0.037 0.000 1.888 403 W HN 0.520 nan 8.180 nan 0.000 0.451 404 V N 0.275 119.912 119.914 -0.462 0.000 0.673 404 V HA -0.321 3.799 4.120 -0.000 0.000 0.092 404 V C 1.152 176.629 176.094 -1.028 0.000 1.052 404 V CA 3.244 65.031 62.300 -0.854 0.000 3.156 404 V CB -2.594 29.042 31.823 -0.311 0.000 0.340 404 V HN 1.677 nan 8.190 nan 0.000 0.313 405 G N -0.130 108.351 108.800 -0.531 0.000 2.514 405 G HA2 0.475 4.435 3.960 -0.000 0.000 0.245 405 G HA3 0.475 4.435 3.960 -0.000 0.000 0.245 405 G C 1.091 175.780 174.900 -0.353 0.000 1.488 405 G CA -0.003 44.862 45.100 -0.392 0.000 1.063 405 G HN 1.652 nan 8.290 nan 0.000 0.557 406 G N -0.849 107.837 108.800 -0.189 0.000 2.535 406 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.218 406 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.218 406 G C 1.118 175.981 174.900 -0.060 0.000 1.122 406 G CA 0.283 45.323 45.100 -0.100 0.000 0.769 406 G HN 0.377 nan 8.290 nan 0.000 0.549 407 R N -0.711 119.738 120.500 -0.085 0.000 2.774 407 R HA 0.576 4.916 4.340 -0.000 0.000 0.269 407 R C -0.039 176.271 176.300 0.018 0.000 1.068 407 R CA 0.321 56.401 56.100 -0.034 0.000 1.180 407 R CB 0.626 30.901 30.300 -0.042 0.000 1.077 407 R HN 0.058 nan 8.270 nan 0.000 0.513 408 T N -0.685 113.883 114.554 0.024 0.000 3.047 408 T HA 0.439 4.789 4.350 -0.000 0.000 0.340 408 T C -0.835 173.879 174.700 0.023 0.000 1.421 408 T CA -0.054 62.071 62.100 0.041 0.000 1.090 408 T CB 0.945 69.842 68.868 0.048 0.000 1.292 408 T HN 0.830 nan 8.240 nan 0.000 0.480 409 G N 2.391 111.202 108.800 0.019 0.000 2.352 409 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.283 409 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.283 409 G C 0.549 175.456 174.900 0.011 0.000 0.946 409 G CA 0.638 45.745 45.100 0.012 0.000 1.317 409 G HN 0.999 nan 8.290 nan 0.000 0.478 410 V N 0.348 120.265 119.914 0.005 0.000 3.151 410 V HA 0.206 4.326 4.120 -0.000 0.000 0.241 410 V C 1.694 177.791 176.094 0.005 0.000 1.173 410 V CA 1.589 63.893 62.300 0.006 0.000 1.154 410 V CB 0.240 32.064 31.823 0.001 0.000 0.898 410 V HN 1.018 nan 8.190 nan 0.000 0.473 411 S N 1.402 117.103 115.700 0.001 0.000 2.722 411 S HA 0.810 5.280 4.470 -0.000 0.000 0.292 411 S C -0.654 173.962 174.600 0.027 0.000 1.135 411 S CA -0.573 57.634 58.200 0.012 0.000 1.003 411 S CB 1.798 64.999 63.200 0.001 0.000 1.067 411 S HN 0.587 nan 8.310 nan 0.000 0.546 412 Q N -0.328 119.508 119.800 0.060 0.000 2.702 412 Q HA 0.422 4.762 4.340 -0.000 0.000 0.289 412 Q C -1.621 174.445 176.000 0.110 0.000 0.923 412 Q CA -1.101 54.754 55.803 0.087 0.000 0.787 412 Q CB 0.894 29.710 28.738 0.129 0.000 1.476 412 Q HN 0.617 nan 8.270 nan 0.000 0.402 413 L N 1.892 123.149 121.223 0.058 0.000 2.597 413 L HA 0.144 4.484 4.340 -0.000 0.000 0.271 413 L C -0.532 176.316 176.870 -0.036 0.000 1.157 413 L CA -0.127 54.717 54.840 0.007 0.000 0.928 413 L CB 0.125 42.166 42.059 -0.029 0.000 1.216 413 L HN 0.682 nan 8.230 nan 0.000 0.481 414 L N 5.298 126.503 121.223 -0.030 0.000 2.737 414 L HA -0.029 4.311 4.340 -0.000 0.000 0.275 414 L C 0.097 176.795 176.870 -0.285 0.000 1.179 414 L CA 0.524 55.304 54.840 -0.100 0.000 0.970 414 L CB -0.225 41.711 42.059 -0.205 0.000 1.268 414 L HN 0.735 nan 8.230 nan 0.000 0.485 415 D N 3.638 123.730 120.400 -0.513 0.000 2.349 415 D HA 0.000 4.640 4.640 -0.000 0.000 0.266 415 D C 0.830 176.941 176.300 -0.315 0.000 1.293 415 D CA 0.231 53.978 54.000 -0.421 0.000 0.926 415 D CB 0.596 41.098 40.800 -0.497 0.000 1.090 415 D HN 0.453 nan 8.370 nan 0.000 0.502 416 R N 1.865 122.189 120.500 -0.294 0.000 2.334 416 R HA 0.158 4.498 4.340 -0.000 0.000 0.216 416 R C 0.074 176.131 176.300 -0.405 0.000 0.905 416 R CA -0.095 55.830 56.100 -0.293 0.000 1.064 416 R CB 0.123 30.258 30.300 -0.277 0.000 1.046 416 R HN 0.313 nan 8.270 nan 0.000 0.508 417 T N 2.588 116.928 114.554 -0.357 0.000 2.708 417 T HA -0.049 4.301 4.350 -0.000 0.000 0.271 417 T C -0.237 174.327 174.700 -0.226 0.000 0.985 417 T CA 0.741 62.642 62.100 -0.331 0.000 1.229 417 T CB -0.940 67.693 68.868 -0.392 0.000 0.934 417 T HN 0.671 nan 8.240 nan 0.000 0.522 418 N N 2.002 120.619 118.700 -0.137 0.000 4.223 418 N HA -0.224 4.516 4.740 -0.000 0.000 0.326 418 N C 0.262 175.825 175.510 0.088 0.000 2.055 418 N CA 0.574 53.623 53.050 -0.002 0.000 3.058 418 N CB -0.694 37.766 38.487 -0.046 0.000 0.298 418 N HN 0.569 nan 8.380 nan 0.000 0.838 419 W N 3.835 125.092 121.300 -0.073 0.000 2.315 419 W HA -0.154 4.506 4.660 -0.000 0.000 0.323 419 W C 2.154 178.630 176.519 -0.072 0.000 1.233 419 W CA 2.136 59.439 57.345 -0.070 0.000 1.267 419 W CB -1.017 28.380 29.460 -0.106 0.000 1.160 419 W HN 0.687 nan 8.180 nan 0.000 0.474 420 L N 1.240 122.456 121.223 -0.011 0.000 1.976 420 L HA -0.335 4.004 4.340 -0.000 0.000 0.223 420 L C 2.857 179.644 176.870 -0.137 0.000 1.081 420 L CA 3.326 58.100 54.840 -0.110 0.000 0.784 420 L CB -1.852 40.261 42.059 0.091 0.000 0.896 420 L HN 0.164 nan 8.230 nan 0.000 0.438 421 S N -0.827 114.823 115.700 -0.083 0.000 2.390 421 S HA -0.409 4.061 4.470 -0.000 0.000 0.234 421 S C 2.159 176.684 174.600 -0.125 0.000 1.063 421 S CA 2.668 60.806 58.200 -0.103 0.000 1.108 421 S CB -0.716 62.399 63.200 -0.142 0.000 0.975 421 S HN 0.607 nan 8.310 nan 0.000 0.442 422 M N 0.579 120.080 119.600 -0.165 0.000 2.082 422 M HA -0.126 4.354 4.480 -0.000 0.000 0.258 422 M C 2.248 178.450 176.300 -0.163 0.000 1.071 422 M CA 2.076 57.276 55.300 -0.167 0.000 1.103 422 M CB -0.605 31.881 32.600 -0.191 0.000 1.307 422 M HN 0.512 nan 8.290 nan 0.000 0.409 423 L N -0.335 120.713 121.223 -0.291 0.000 2.051 423 L HA -0.274 4.066 4.340 -0.000 0.000 0.214 423 L C 2.738 179.525 176.870 -0.139 0.000 1.076 423 L CA 1.861 56.533 54.840 -0.280 0.000 0.758 423 L CB -0.766 41.035 42.059 -0.431 0.000 0.890 423 L HN 0.455 nan 8.230 nan 0.000 0.433 424 S N -1.464 114.178 115.700 -0.097 0.000 2.387 424 S HA -0.231 4.239 4.470 -0.000 0.000 0.226 424 S C 2.051 176.667 174.600 0.026 0.000 1.026 424 S CA 0.950 59.130 58.200 -0.033 0.000 0.972 424 S CB -0.272 62.917 63.200 -0.018 0.000 0.814 424 S HN 0.527 nan 8.310 nan 0.000 0.477 425 H N 1.247 120.260 119.070 -0.094 0.000 2.390 425 H HA 0.007 4.563 4.556 -0.000 0.000 0.298 425 H C 1.753 177.045 175.328 -0.059 0.000 1.106 425 H CA 2.009 58.008 56.048 -0.080 0.000 1.297 425 H CB -0.407 29.287 29.762 -0.113 0.000 1.375 425 H HN 0.382 nan 8.280 nan 0.000 0.509 426 L N -0.499 120.704 121.223 -0.033 0.000 2.179 426 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 426 L C 2.173 179.082 176.870 0.065 0.000 1.096 426 L CA 1.043 55.847 54.840 -0.060 0.000 0.779 426 L CB -0.112 41.916 42.059 -0.052 0.000 0.922 426 L HN 0.190 nan 8.230 nan 0.000 0.443 427 R N -0.277 120.239 120.500 0.027 0.000 2.310 427 R HA 0.106 4.446 4.340 -0.000 0.000 0.202 427 R C 0.415 176.724 176.300 0.014 0.000 0.933 427 R CA -0.105 56.012 56.100 0.029 0.000 1.054 427 R CB -0.114 30.186 30.300 0.000 0.000 0.985 427 R HN 0.239 nan 8.270 nan 0.000 0.489 428 R N 1.381 121.884 120.500 0.005 0.000 2.490 428 R HA 0.199 4.539 4.340 -0.000 0.000 0.280 428 R C -0.314 175.985 176.300 -0.002 0.000 1.077 428 R CA -0.153 55.943 56.100 -0.007 0.000 1.065 428 R CB 1.499 31.791 30.300 -0.014 0.000 1.003 428 R HN -0.048 nan 8.270 nan 0.000 0.470 429 V N 3.566 123.479 119.914 -0.000 0.000 2.588 429 V HA 0.498 4.618 4.120 -0.000 0.000 0.304 429 V C -0.336 175.768 176.094 0.016 0.000 1.042 429 V CA -0.882 61.423 62.300 0.010 0.000 0.877 429 V CB 1.566 33.395 31.823 0.011 0.000 0.996 429 V HN 0.528 nan 8.190 nan 0.000 0.425 430 I N 4.341 124.921 120.570 0.017 0.000 2.934 430 I HA 0.519 4.689 4.170 -0.000 0.000 0.315 430 I C 0.987 177.118 176.117 0.023 0.000 0.997 430 I CA 0.078 61.389 61.300 0.018 0.000 1.184 430 I CB 1.973 39.982 38.000 0.014 0.000 1.400 430 I HN 1.007 nan 8.210 nan 0.000 0.549 431 S N 1.550 117.261 115.700 0.018 0.000 2.693 431 S HA 0.305 4.774 4.470 -0.000 0.000 0.276 431 S C 0.108 174.711 174.600 0.005 0.000 1.192 431 S CA -0.616 57.592 58.200 0.013 0.000 0.994 431 S CB 1.292 64.496 63.200 0.006 0.000 1.012 431 S HN 0.554 nan 8.310 nan 0.000 0.550 432 S N 0.998 116.696 115.700 -0.003 0.000 2.525 432 S HA 0.334 4.804 4.470 -0.000 0.000 0.285 432 S C 0.651 175.249 174.600 -0.004 0.000 1.283 432 S CA -0.250 57.946 58.200 -0.007 0.000 1.072 432 S CB -1.446 61.745 63.200 -0.016 0.000 0.867 432 S HN 0.721 nan 8.310 nan 0.000 0.492 433 L N 2.342 123.564 121.223 -0.002 0.000 7.140 433 L HA -0.384 3.956 4.340 -0.000 0.000 0.053 433 L C 1.362 178.236 176.870 0.007 0.000 1.700 433 L CA 1.167 56.009 54.840 0.003 0.000 1.567 433 L CB -1.608 40.453 42.059 0.003 0.000 2.821 433 L HN 0.674 nan 8.230 nan 0.000 1.118 434 A N -1.043 121.782 122.820 0.008 0.000 1.921 434 A HA 0.453 4.772 4.320 -0.000 0.000 0.202 434 A C 0.420 178.007 177.584 0.005 0.000 1.721 434 A CA 0.802 52.844 52.037 0.008 0.000 1.025 434 A CB 0.428 19.435 19.000 0.012 0.000 1.060 434 A HN 0.624 nan 8.150 nan 0.000 0.535 435 R N -0.432 120.074 120.500 0.009 0.000 2.496 435 R HA -0.124 4.216 4.340 -0.000 0.000 0.326 435 R C 0.278 176.586 176.300 0.013 0.000 1.032 435 R CA 0.281 56.388 56.100 0.012 0.000 0.827 435 R CB -1.791 28.516 30.300 0.011 0.000 2.368 435 R HN 0.768 nan 8.270 nan 0.000 0.490 436 G N 2.476 111.288 108.800 0.020 0.000 2.605 436 G HA2 0.259 4.219 3.960 -0.000 0.000 0.301 436 G HA3 0.259 4.219 3.960 -0.000 0.000 0.301 436 G C -0.040 174.884 174.900 0.040 0.000 0.881 436 G CA -0.060 45.056 45.100 0.027 0.000 1.553 436 G HN 0.338 nan 8.290 nan 0.000 0.483 437 Q N 0.986 120.820 119.800 0.055 0.000 2.854 437 Q HA 0.346 4.686 4.340 -0.000 0.000 0.331 437 Q C -2.519 173.567 176.000 0.144 0.000 0.859 437 Q CA -1.017 54.831 55.803 0.075 0.000 0.787 437 Q CB 2.227 30.998 28.738 0.055 0.000 1.410 437 Q HN 0.320 nan 8.270 nan 0.000 0.510 438 P HA 0.303 nan 4.420 nan 0.000 0.202 438 P C -1.102 176.456 177.300 0.431 0.000 1.869 438 P CA -0.299 63.002 63.100 0.334 0.000 1.017 438 P CB -0.254 31.536 31.700 0.150 0.000 1.848 439 N N 1.406 120.259 118.700 0.254 0.000 2.401 439 N HA 0.152 4.892 4.740 -0.000 0.000 0.255 439 N C -0.075 175.434 175.510 -0.002 0.000 1.110 439 N CA 0.019 53.139 53.050 0.117 0.000 0.949 439 N CB 0.668 39.146 38.487 -0.015 0.000 1.110 439 N HN 0.165 nan 8.380 nan 0.000 0.490 440 F N 0.279 120.238 119.950 0.016 0.000 2.244 440 F HA 0.146 4.673 4.527 -0.000 0.000 0.272 440 F C 1.717 177.535 175.800 0.029 0.000 0.882 440 F CA -0.223 57.791 58.000 0.022 0.000 1.101 440 F CB 0.079 39.091 39.000 0.019 0.000 1.097 440 F HN 0.342 nan 8.300 nan 0.000 0.762 441 E N 0.936 121.265 120.200 0.215 0.000 2.357 441 E HA 0.235 4.585 4.350 -0.000 0.000 0.194 441 E C 0.445 177.103 176.600 0.097 0.000 1.177 441 E CA 0.471 56.952 56.400 0.135 0.000 0.998 441 E CB -0.233 29.531 29.700 0.106 0.000 1.106 441 E HN 0.354 nan 8.360 nan 0.000 0.470 442 A N 0.141 123.006 122.820 0.075 0.000 2.596 442 A HA 0.286 4.606 4.320 -0.000 0.000 0.276 442 A C 1.097 178.698 177.584 0.027 0.000 0.962 442 A CA -0.469 51.588 52.037 0.032 0.000 1.010 442 A CB 0.465 19.468 19.000 0.005 0.000 1.220 442 A HN 0.153 nan 8.150 nan 0.000 0.549 443 R N 0.478 121.003 120.500 0.040 0.000 2.342 443 R HA 0.107 4.447 4.340 -0.000 0.000 0.204 443 R C -0.759 175.576 176.300 0.060 0.000 0.882 443 R CA 0.388 56.503 56.100 0.025 0.000 1.041 443 R CB 0.248 30.529 30.300 -0.031 0.000 1.188 443 R HN 0.541 nan 8.270 nan 0.000 0.598 444 D N 1.848 122.297 120.400 0.083 0.000 2.455 444 D HA -0.010 4.630 4.640 -0.000 0.000 0.241 444 D C 0.017 176.387 176.300 0.115 0.000 1.138 444 D CA -0.004 54.051 54.000 0.092 0.000 0.877 444 D CB 0.554 41.409 40.800 0.092 0.000 1.187 444 D HN -0.040 nan 8.370 nan 0.000 0.451 445 L N 1.933 123.212 121.223 0.092 0.000 2.810 445 L HA -0.110 4.230 4.340 -0.000 0.000 0.279 445 L C 0.814 177.765 176.870 0.134 0.000 1.144 445 L CA 0.511 55.409 54.840 0.097 0.000 0.998 445 L CB -0.530 41.559 42.059 0.049 0.000 1.342 445 L HN 0.516 nan 8.230 nan 0.000 0.473 446 H N 2.575 121.699 119.070 0.091 0.000 2.679 446 H HA 0.111 4.666 4.556 -0.000 0.000 0.369 446 H C 1.283 176.670 175.328 0.099 0.000 1.178 446 H CA 0.693 56.801 56.048 0.101 0.000 1.419 446 H CB 1.417 31.258 29.762 0.132 0.000 1.458 446 H HN 0.604 nan 8.280 nan 0.000 0.605 447 G N 2.133 110.625 108.800 -0.513 0.000 2.649 447 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.220 447 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.220 447 G C 0.842 175.739 174.900 -0.005 0.000 1.189 447 G CA 1.767 46.717 45.100 -0.250 0.000 0.777 447 G HN 0.705 nan 8.290 nan 0.000 0.602 448 T N -0.660 113.981 114.554 0.144 0.000 5.610 448 T HA 0.129 4.478 4.350 -0.000 0.000 0.419 448 T C 1.331 176.167 174.700 0.225 0.000 0.955 448 T CA 0.959 63.188 62.100 0.215 0.000 0.885 448 T CB -0.474 68.533 68.868 0.232 0.000 1.306 448 T HN 0.488 nan 8.240 nan 0.000 0.393 449 Q N -1.498 118.391 119.800 0.148 0.000 2.087 449 Q HA -0.232 4.108 4.340 -0.000 0.000 0.153 449 Q C -0.112 175.877 176.000 -0.018 0.000 0.706 449 Q CA 1.571 57.357 55.803 -0.028 0.000 1.467 449 Q CB -1.310 27.466 28.738 0.064 0.000 1.557 449 Q HN 0.752 nan 8.270 nan 0.000 0.862 450 W N 1.535 122.772 121.300 -0.104 0.000 2.308 450 W HA 0.324 4.984 4.660 -0.000 0.000 0.324 450 W C 1.270 177.707 176.519 -0.136 0.000 1.387 450 W CA 1.111 58.384 57.345 -0.120 0.000 1.250 450 W CB 0.216 29.618 29.460 -0.096 0.000 1.257 450 W HN 0.310 nan 8.180 nan 0.000 0.554 451 G N 4.215 112.473 108.800 -0.903 0.000 2.321 451 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.287 451 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.287 451 G C 0.769 175.374 174.900 -0.492 0.000 1.018 451 G CA 0.845 45.407 45.100 -0.896 0.000 0.855 451 G HN 0.722 nan 8.290 nan 0.000 0.507 452 R N -2.217 118.070 120.500 -0.355 0.000 3.275 452 R HA 0.430 4.770 4.340 -0.000 0.000 0.154 452 R C 0.507 176.618 176.300 -0.315 0.000 0.843 452 R CA 0.118 56.023 56.100 -0.324 0.000 1.027 452 R CB 0.208 30.288 30.300 -0.366 0.000 1.423 452 R HN 0.336 nan 8.270 nan 0.000 0.530 453 M N 0.632 120.041 119.600 -0.320 0.000 2.336 453 M HA 0.258 4.738 4.480 -0.000 0.000 0.342 453 M C -0.707 175.470 176.300 -0.206 0.000 1.128 453 M CA -1.316 53.837 55.300 -0.246 0.000 1.016 453 M CB 1.566 34.021 32.600 -0.241 0.000 1.665 453 M HN 0.219 nan 8.290 nan 0.000 0.445 454 C N 6.927 126.124 119.300 -0.171 0.000 2.611 454 C HA 0.207 4.667 4.460 -0.000 0.000 0.416 454 C C -0.863 174.012 174.990 -0.192 0.000 1.366 454 C CA -0.795 58.112 59.018 -0.186 0.000 1.761 454 C CB 0.094 27.766 27.740 -0.113 0.000 2.619 454 C HN 0.760 nan 8.230 nan 0.000 0.606 455 P HA 0.030 nan 4.420 nan 0.000 0.235 455 P C 0.915 178.078 177.300 -0.228 0.000 1.177 455 P CA 1.306 64.196 63.100 -0.349 0.000 0.785 455 P CB 0.049 31.390 31.700 -0.598 0.000 0.885 456 F N 0.274 120.216 119.950 -0.013 0.000 2.399 456 F HA 0.230 4.757 4.527 -0.000 0.000 0.282 456 F C 1.036 176.842 175.800 0.009 0.000 1.027 456 F CA -0.431 57.567 58.000 -0.002 0.000 1.333 456 F CB -1.596 37.395 39.000 -0.015 0.000 1.132 456 F HN -0.218 nan 8.300 nan 0.000 0.590 457 E N 1.246 121.551 120.200 0.176 0.000 2.406 457 E HA 0.207 4.557 4.350 -0.000 0.000 0.247 457 E C -0.740 175.908 176.600 0.080 0.000 1.160 457 E CA 0.669 57.132 56.400 0.105 0.000 0.950 457 E CB -0.303 29.431 29.700 0.057 0.000 0.993 457 E HN 0.042 nan 8.360 nan 0.000 0.472 458 T N 4.839 119.447 114.554 0.091 0.000 3.097 458 T HA 0.279 4.629 4.350 -0.000 0.000 0.332 458 T C -2.643 172.096 174.700 0.064 0.000 1.269 458 T CA -1.369 60.772 62.100 0.068 0.000 1.076 458 T CB 1.536 70.445 68.868 0.068 0.000 1.209 458 T HN 0.190 nan 8.240 nan 0.000 0.474 459 P HA 0.162 nan 4.420 nan 0.000 0.265 459 P C -0.478 176.836 177.300 0.024 0.000 1.193 459 P CA -0.094 63.023 63.100 0.029 0.000 0.765 459 P CB 0.572 32.284 31.700 0.021 0.000 0.823 460 E N 1.300 121.503 120.200 0.005 0.000 2.366 460 E HA 0.365 4.714 4.350 -0.000 0.000 0.266 460 E C 1.232 177.823 176.600 -0.014 0.000 1.015 460 E CA 0.814 57.210 56.400 -0.006 0.000 0.906 460 E CB 0.000 29.649 29.700 -0.084 0.000 0.979 460 E HN 0.760 nan 8.360 nan 0.000 0.443 461 G N 3.742 112.539 108.800 -0.004 0.000 2.936 461 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.237 461 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.237 461 G C -1.669 173.215 174.900 -0.026 0.000 1.403 461 G CA -0.199 44.892 45.100 -0.014 0.000 1.011 461 G HN 0.555 nan 8.290 nan 0.000 0.568 462 P HA 0.087 nan 4.420 nan 0.000 0.213 462 P C 1.431 178.703 177.300 -0.046 0.000 1.170 462 P CA 1.508 64.587 63.100 -0.036 0.000 0.889 462 P CB -0.184 31.504 31.700 -0.019 0.000 0.782 463 N N -0.621 118.064 118.700 -0.025 0.000 2.609 463 N HA -0.043 4.697 4.740 -0.000 0.000 0.190 463 N C 0.158 175.655 175.510 -0.021 0.000 1.157 463 N CA 0.357 53.395 53.050 -0.021 0.000 0.918 463 N CB -0.812 37.674 38.487 -0.002 0.000 0.978 463 N HN 0.033 nan 8.380 nan 0.000 0.448 464 S N -0.536 115.148 115.700 -0.026 0.000 2.546 464 S HA 0.284 4.754 4.470 -0.000 0.000 0.290 464 S C 1.433 176.019 174.600 -0.024 0.000 1.262 464 S CA 0.692 58.884 58.200 -0.012 0.000 1.083 464 S CB -0.094 63.101 63.200 -0.008 0.000 0.859 464 S HN 0.586 nan 8.310 nan 0.000 0.495 465 G N 3.631 112.433 108.800 0.003 0.000 2.217 465 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.246 465 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.246 465 G C 0.573 175.478 174.900 0.008 0.000 0.990 465 G CA 0.437 45.542 45.100 0.008 0.000 0.627 465 G HN 0.690 nan 8.290 nan 0.000 0.522 466 L N -0.251 120.970 121.223 -0.003 0.000 2.362 466 L HA 0.450 4.790 4.340 -0.000 0.000 0.204 466 L C 1.607 178.488 176.870 0.017 0.000 1.060 466 L CA 0.784 55.625 54.840 0.002 0.000 0.827 466 L CB 0.249 42.299 42.059 -0.016 0.000 1.027 466 L HN 0.272 nan 8.230 nan 0.000 0.474 467 V N 1.769 121.693 119.914 0.016 0.000 2.509 467 V HA 0.376 4.496 4.120 -0.000 0.000 0.284 467 V C -0.643 175.466 176.094 0.025 0.000 1.047 467 V CA -0.327 61.987 62.300 0.022 0.000 0.952 467 V CB 1.156 32.993 31.823 0.023 0.000 0.988 467 V HN 0.301 nan 8.190 nan 0.000 0.469 468 K N 4.183 124.595 120.400 0.020 0.000 2.533 468 K HA 0.519 4.839 4.320 -0.000 0.000 0.272 468 K C -1.108 175.491 176.600 -0.001 0.000 0.985 468 K CA -0.897 55.396 56.287 0.010 0.000 0.876 468 K CB 1.902 34.401 32.500 -0.001 0.000 1.452 468 K HN 0.679 nan 8.250 nan 0.000 0.439 469 N N 0.464 119.158 118.700 -0.009 0.000 2.476 469 N HA 0.317 5.057 4.740 -0.000 0.000 0.275 469 N C -0.532 174.945 175.510 -0.054 0.000 1.190 469 N CA -0.752 52.286 53.050 -0.020 0.000 0.977 469 N CB 0.933 39.413 38.487 -0.011 0.000 1.200 469 N HN 0.214 nan 8.380 nan 0.000 0.515 470 L N 1.299 122.489 121.223 -0.056 0.000 2.418 470 L HA 0.348 4.687 4.340 -0.000 0.000 0.265 470 L C 0.818 177.636 176.870 -0.086 0.000 1.143 470 L CA -0.506 54.283 54.840 -0.085 0.000 0.809 470 L CB 0.876 42.898 42.059 -0.062 0.000 1.124 470 L HN 0.611 nan 8.230 nan 0.000 0.456 471 A N 2.364 125.108 122.820 -0.128 0.000 2.346 471 A HA 0.208 4.528 4.320 -0.000 0.000 0.255 471 A C 1.087 178.646 177.584 -0.042 0.000 1.113 471 A CA -0.188 51.772 52.037 -0.127 0.000 0.798 471 A CB 0.136 19.002 19.000 -0.222 0.000 1.073 471 A HN 0.831 nan 8.150 nan 0.000 0.502 472 L N -0.073 121.162 121.223 0.021 0.000 2.265 472 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 472 L C 1.933 178.900 176.870 0.162 0.000 1.117 472 L CA 1.230 56.190 54.840 0.200 0.000 0.782 472 L CB -1.278 41.004 42.059 0.371 0.000 0.914 472 L HN 1.010 nan 8.230 nan 0.000 0.441 473 M N 0.650 120.214 119.600 -0.060 0.000 7.318 473 M HA -0.360 4.120 4.480 -0.000 0.000 0.090 473 M C 0.400 176.547 176.300 -0.255 0.000 0.480 473 M CA 2.076 57.254 55.300 -0.204 0.000 1.311 473 M CB -1.178 31.300 32.600 -0.203 0.000 0.421 473 M HN -0.004 nan 8.290 nan 0.000 0.273 474 A N -0.199 122.502 122.820 -0.198 0.000 3.426 474 A HA 0.541 4.861 4.320 -0.000 0.000 0.222 474 A C -0.082 177.544 177.584 0.070 0.000 1.090 474 A CA 0.377 52.379 52.037 -0.058 0.000 1.026 474 A CB -0.196 18.585 19.000 -0.366 0.000 1.342 474 A HN 0.953 nan 8.150 nan 0.000 0.695 475 Q N -0.266 119.576 119.800 0.069 0.000 0.421 475 Q HA -0.170 4.170 4.340 -0.000 0.000 0.233 475 Q C -0.772 175.250 176.000 0.037 0.000 1.100 475 Q CA 1.013 56.854 55.803 0.064 0.000 0.201 475 Q CB -0.198 28.606 28.738 0.110 0.000 5.634 475 Q HN 0.873 nan 8.270 nan 0.000 0.292 476 I N 1.147 121.731 120.570 0.024 0.000 2.336 476 I HA 0.594 4.764 4.170 -0.000 0.000 0.292 476 I C 0.636 176.777 176.117 0.039 0.000 0.991 476 I CA -0.120 61.190 61.300 0.017 0.000 1.227 476 I CB 0.209 38.203 38.000 -0.010 0.000 1.366 476 I HN 0.717 nan 8.210 nan 0.000 0.466 477 A N 5.331 128.183 122.820 0.054 0.000 2.366 477 A HA 0.465 4.784 4.320 -0.000 0.000 0.249 477 A C 1.017 178.622 177.584 0.036 0.000 1.084 477 A CA -0.169 51.905 52.037 0.062 0.000 0.794 477 A CB 0.672 19.718 19.000 0.076 0.000 1.034 477 A HN 0.763 nan 8.150 nan 0.000 0.491 478 V N -0.543 119.388 119.914 0.029 0.000 3.604 478 V HA 0.508 4.628 4.120 -0.000 0.000 0.277 478 V C 1.353 177.453 176.094 0.009 0.000 1.399 478 V CA 0.477 62.787 62.300 0.016 0.000 1.034 478 V CB -1.687 30.143 31.823 0.013 0.000 0.824 478 V HN 2.284 nan 8.190 nan 0.000 0.439 479 G N 1.594 110.401 108.800 0.010 0.000 2.578 479 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.275 479 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.275 479 G C -0.612 174.284 174.900 -0.007 0.000 1.271 479 G CA 0.727 45.829 45.100 0.004 0.000 0.941 479 G HN 0.603 nan 8.290 nan 0.000 0.564 480 I N -0.774 119.790 120.570 -0.011 0.000 3.279 480 I HA 0.422 4.592 4.170 -0.000 0.000 0.315 480 I C 0.033 176.139 176.117 -0.019 0.000 1.187 480 I CA -0.984 60.306 61.300 -0.018 0.000 0.953 480 I CB 1.906 39.893 38.000 -0.021 0.000 1.279 480 I HN 0.717 nan 8.210 nan 0.000 0.465 481 N N 1.320 120.007 118.700 -0.022 0.000 2.458 481 N HA 0.035 4.775 4.740 -0.000 0.000 0.258 481 N C 0.673 176.167 175.510 -0.027 0.000 1.219 481 N CA 0.532 53.568 53.050 -0.022 0.000 0.902 481 N CB 0.785 39.259 38.487 -0.021 0.000 1.076 481 N HN 0.620 nan 8.380 nan 0.000 0.455 482 E N 2.691 122.875 120.200 -0.027 0.000 1.995 482 E HA -0.288 4.061 4.350 -0.000 0.000 0.207 482 E C 1.355 177.925 176.600 -0.050 0.000 1.016 482 E CA 1.312 57.690 56.400 -0.038 0.000 0.865 482 E CB -0.055 29.626 29.700 -0.032 0.000 0.797 482 E HN 0.520 nan 8.360 nan 0.000 0.491 483 R N -0.135 120.339 120.500 -0.042 0.000 2.362 483 R HA -0.280 4.060 4.340 -0.000 0.000 0.211 483 R C 2.285 178.544 176.300 -0.068 0.000 1.022 483 R CA 2.416 58.488 56.100 -0.046 0.000 0.630 483 R CB -1.920 28.368 30.300 -0.020 0.000 0.874 483 R HN 0.325 nan 8.270 nan 0.000 0.324 484 I N 0.473 121.012 120.570 -0.051 0.000 2.800 484 I HA -0.154 4.016 4.170 -0.000 0.000 0.266 484 I C 2.329 178.406 176.117 -0.066 0.000 1.249 484 I CA 0.881 62.151 61.300 -0.050 0.000 1.458 484 I CB -0.261 37.717 38.000 -0.035 0.000 1.093 484 I HN -0.039 nan 8.210 nan 0.000 0.466 485 V N 0.713 120.578 119.914 -0.082 0.000 2.627 485 V HA -0.063 4.057 4.120 -0.000 0.000 0.239 485 V C 2.216 178.213 176.094 -0.162 0.000 1.077 485 V CA 1.092 63.337 62.300 -0.092 0.000 1.103 485 V CB -0.434 31.351 31.823 -0.064 0.000 0.802 485 V HN 0.542 nan 8.190 nan 0.000 0.482 486 E N 0.616 120.699 120.200 -0.197 0.000 2.510 486 E HA -0.207 4.143 4.350 -0.000 0.000 0.202 486 E C 1.673 177.871 176.600 -0.670 0.000 1.072 486 E CA 1.305 57.492 56.400 -0.355 0.000 0.883 486 E CB -0.151 29.395 29.700 -0.257 0.000 0.818 486 E HN 0.518 nan 8.360 nan 0.000 0.548 487 K N -0.434 119.724 120.400 -0.403 0.000 2.306 487 K HA 0.088 4.408 4.320 -0.000 0.000 0.200 487 K C 1.715 178.211 176.600 -0.172 0.000 1.083 487 K CA 0.953 57.043 56.287 -0.328 0.000 0.959 487 K CB 0.431 32.864 32.500 -0.111 0.000 0.994 487 K HN 0.090 nan 8.250 nan 0.000 0.492 488 T N 1.833 116.312 114.554 -0.125 0.000 2.946 488 T HA -0.074 4.276 4.350 -0.000 0.000 0.271 488 T C 1.610 176.271 174.700 -0.066 0.000 1.104 488 T CA 0.826 62.887 62.100 -0.066 0.000 1.114 488 T CB -0.070 68.769 68.868 -0.048 0.000 0.867 488 T HN 0.073 nan 8.240 nan 0.000 0.513 489 L N -0.857 120.288 121.223 -0.130 0.000 2.102 489 L HA 0.032 4.372 4.340 -0.000 0.000 0.202 489 L C 2.468 179.335 176.870 -0.005 0.000 1.076 489 L CA 1.060 55.840 54.840 -0.100 0.000 0.761 489 L CB -0.514 41.455 42.059 -0.151 0.000 0.921 489 L HN 0.174 nan 8.230 nan 0.000 0.444 490 Y N 1.197 121.453 120.300 -0.072 0.000 2.151 490 Y HA -0.270 4.279 4.550 -0.000 0.000 0.284 490 Y C 2.572 178.418 175.900 -0.089 0.000 1.166 490 Y CA 1.035 59.084 58.100 -0.084 0.000 1.163 490 Y CB -0.904 37.525 38.460 -0.050 0.000 0.974 490 Y HN 0.323 nan 8.280 nan 0.000 0.511 491 E N -0.813 119.449 120.200 0.104 0.000 2.204 491 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 491 E C 1.745 178.345 176.600 0.001 0.000 0.989 491 E CA 0.959 57.381 56.400 0.038 0.000 0.824 491 E CB -0.290 29.426 29.700 0.026 0.000 0.756 491 E HN 0.425 nan 8.360 nan 0.000 0.477 492 M N -0.353 119.236 119.600 -0.019 0.000 2.568 492 M HA 0.101 4.581 4.480 -0.000 0.000 0.226 492 M C 0.721 176.933 176.300 -0.148 0.000 1.148 492 M CA 0.463 55.739 55.300 -0.039 0.000 1.007 492 M CB 0.744 33.337 32.600 -0.012 0.000 1.651 492 M HN 0.358 nan 8.290 nan 0.000 0.488 493 G N 0.107 108.794 108.800 -0.189 0.000 2.184 493 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.206 493 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.206 493 G C 0.011 174.591 174.900 -0.533 0.000 0.995 493 G CA -0.501 44.398 45.100 -0.336 0.000 0.651 493 G HN 0.256 nan 8.290 nan 0.000 0.511 494 V N 1.842 121.540 119.914 -0.359 0.000 2.450 494 V HA 0.325 4.445 4.120 -0.000 0.000 0.281 494 V C 1.092 177.136 176.094 -0.083 0.000 1.019 494 V CA -0.036 62.136 62.300 -0.214 0.000 1.062 494 V CB 1.370 33.206 31.823 0.022 0.000 0.979 494 V HN 0.257 nan 8.190 nan 0.000 0.477 495 V N 9.175 129.010 119.914 -0.131 0.000 2.461 495 V HA 0.230 4.349 4.120 -0.000 0.000 0.275 495 V C -1.999 174.012 176.094 -0.139 0.000 1.047 495 V CA -1.736 60.463 62.300 -0.167 0.000 0.955 495 V CB 1.371 33.089 31.823 -0.175 0.000 0.988 495 V HN 0.751 nan 8.190 nan 0.000 0.471 496 P HA 0.042 nan 4.420 nan 0.000 0.264 496 P C 1.027 178.298 177.300 -0.049 0.000 1.193 496 P CA 0.285 63.267 63.100 -0.197 0.000 0.763 496 P CB 0.764 32.278 31.700 -0.311 0.000 0.810 497 V N 3.864 123.805 119.914 0.045 0.000 2.219 497 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 497 V C 2.183 178.318 176.094 0.069 0.000 1.053 497 V CA 2.119 64.471 62.300 0.086 0.000 1.009 497 V CB -0.893 30.957 31.823 0.046 0.000 0.636 497 V HN 0.663 nan 8.190 nan 0.000 0.445 498 E N -0.437 119.847 120.200 0.140 0.000 2.108 498 E HA -0.306 4.044 4.350 -0.000 0.000 0.203 498 E C 2.091 178.721 176.600 0.050 0.000 1.022 498 E CA 1.896 58.390 56.400 0.158 0.000 0.823 498 E CB -0.215 29.593 29.700 0.179 0.000 0.744 498 E HN 0.677 nan 8.360 nan 0.000 0.456 499 E N -0.178 120.018 120.200 -0.008 0.000 2.394 499 E HA -0.154 4.195 4.350 -0.000 0.000 0.202 499 E C -0.165 176.395 176.600 -0.066 0.000 1.029 499 E CA 0.348 56.717 56.400 -0.051 0.000 0.855 499 E CB 0.046 29.691 29.700 -0.093 0.000 0.770 499 E HN 0.064 nan 8.360 nan 0.000 0.527 500 V N 2.244 122.119 119.914 -0.066 0.000 2.368 500 V HA 0.172 4.292 4.120 -0.000 0.000 0.266 500 V C -0.045 176.031 176.094 -0.030 0.000 1.045 500 V CA -0.063 62.186 62.300 -0.086 0.000 0.899 500 V CB 0.284 32.002 31.823 -0.174 0.000 1.006 500 V HN 0.014 nan 8.190 nan 0.000 0.470 516 K N 0.098 120.274 120.400 -0.373 0.000 2.444 516 K HA 0.072 4.392 4.320 -0.000 0.000 0.193 516 K C -0.506 176.051 176.600 -0.072 0.000 1.024 516 K CA -0.104 56.054 56.287 -0.215 0.000 1.077 516 K CB 0.199 32.540 32.500 -0.266 0.000 0.833 516 K HN 0.110 nan 8.250 nan 0.000 0.517 517 W N 2.218 123.570 121.300 0.086 0.000 2.150 517 W HA 0.036 4.696 4.660 -0.000 0.000 0.341 517 W C 0.595 177.208 176.519 0.157 0.000 1.276 517 W CA -0.472 56.952 57.345 0.131 0.000 1.238 517 W CB 0.394 29.979 29.460 0.208 0.000 1.128 517 W HN -0.078 nan 8.180 nan 0.000 0.581 518 S N 2.108 118.005 115.700 0.328 0.000 2.422 518 S HA 0.387 4.856 4.470 -0.000 0.000 0.298 518 S C -0.258 174.406 174.600 0.106 0.000 1.118 518 S CA -1.004 57.297 58.200 0.167 0.000 1.083 518 S CB 1.172 64.419 63.200 0.079 0.000 0.971 518 S HN 0.245 nan 8.310 nan 0.000 0.478 519 K N 1.822 122.192 120.400 -0.050 0.000 2.295 519 K HA 0.401 4.721 4.320 -0.000 0.000 0.270 519 K C -0.676 175.789 176.600 -0.225 0.000 1.011 519 K CA -0.602 55.483 56.287 -0.335 0.000 0.953 519 K CB 0.609 32.827 32.500 -0.470 0.000 0.956 519 K HN 0.389 nan 8.250 nan 0.000 0.477 520 V N 3.865 123.643 119.914 -0.226 0.000 2.483 520 V HA 0.323 4.443 4.120 -0.000 0.000 0.295 520 V C -0.629 175.374 176.094 -0.152 0.000 1.035 520 V CA -0.781 61.437 62.300 -0.138 0.000 0.896 520 V CB 1.246 33.057 31.823 -0.019 0.000 0.986 520 V HN 0.524 nan 8.190 nan 0.000 0.447 521 I N 6.084 126.571 120.570 -0.140 0.000 2.448 521 I HA 0.356 4.525 4.170 -0.000 0.000 0.281 521 I C -0.676 175.452 176.117 0.020 0.000 1.027 521 I CA -0.104 61.179 61.300 -0.028 0.000 1.111 521 I CB 1.671 39.718 38.000 0.078 0.000 1.236 521 I HN 0.295 nan 8.210 nan 0.000 0.452 522 L N 7.235 128.465 121.223 0.011 0.000 2.262 522 L HA 0.491 4.830 4.340 -0.000 0.000 0.288 522 L C -0.070 176.803 176.870 0.005 0.000 1.035 522 L CA -0.100 54.741 54.840 0.001 0.000 0.820 522 L CB 0.116 42.159 42.059 -0.027 0.000 1.204 522 L HN 0.763 nan 8.230 nan 0.000 0.424 523 N N 4.011 122.721 118.700 0.016 0.000 2.738 523 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 523 N C 0.838 176.355 175.510 0.011 0.000 1.047 523 N CA 1.284 54.338 53.050 0.007 0.000 0.707 523 N CB -1.146 37.333 38.487 -0.013 0.000 0.937 523 N HN 1.098 nan 8.380 nan 0.000 0.545 524 G N -0.078 108.746 108.800 0.040 0.000 2.295 524 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.287 524 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.287 524 G C -0.095 174.802 174.900 -0.005 0.000 1.055 524 G CA 0.636 45.765 45.100 0.048 0.000 0.922 524 G HN 0.747 nan 8.290 nan 0.000 0.503 525 R N -0.254 120.235 120.500 -0.019 0.000 2.512 525 R HA 0.476 4.816 4.340 -0.000 0.000 0.291 525 R C -0.883 175.464 176.300 0.079 0.000 1.097 525 R CA -1.104 54.907 56.100 -0.147 0.000 0.940 525 R CB 0.839 31.014 30.300 -0.208 0.000 1.198 525 R HN 0.255 nan 8.270 nan 0.000 0.429 526 L N 6.814 128.264 121.223 0.378 0.000 2.342 526 L HA 0.162 4.502 4.340 -0.000 0.000 0.285 526 L C 0.965 177.859 176.870 0.041 0.000 1.095 526 L CA -0.460 54.433 54.840 0.089 0.000 0.843 526 L CB 0.653 42.577 42.059 -0.225 0.000 1.201 526 L HN 0.777 nan 8.230 nan 0.000 0.445 527 I N 3.596 124.179 120.570 0.021 0.000 2.235 527 I HA 0.128 4.298 4.170 -0.000 0.000 0.241 527 I C 1.250 177.403 176.117 0.060 0.000 1.085 527 I CA 1.304 62.664 61.300 0.100 0.000 1.378 527 I CB -0.994 37.078 38.000 0.120 0.000 1.076 527 I HN 0.718 nan 8.210 nan 0.000 0.415 528 G N -1.959 106.829 108.800 -0.021 0.000 2.364 528 G HA2 0.361 4.321 3.960 -0.000 0.000 0.286 528 G HA3 0.361 4.321 3.960 -0.000 0.000 0.286 528 G C -1.859 173.035 174.900 -0.009 0.000 1.241 528 G CA -0.487 44.652 45.100 0.065 0.000 0.887 528 G HN -0.053 nan 8.290 nan 0.000 0.484 529 Y N -1.056 119.222 120.300 -0.036 0.000 2.662 529 Y HA 0.812 5.362 4.550 -0.000 0.000 0.335 529 Y C -0.425 175.550 175.900 0.125 0.000 1.066 529 Y CA -0.847 57.270 58.100 0.030 0.000 1.116 529 Y CB 2.271 40.714 38.460 -0.028 0.000 1.308 529 Y HN 0.972 nan 8.280 nan 0.000 0.502 530 Y N 0.166 120.554 120.300 0.147 0.000 2.098 530 Y HA 0.128 4.677 4.550 -0.000 0.000 0.315 530 Y C -1.303 174.763 175.900 0.277 0.000 1.348 530 Y CA -1.319 56.848 58.100 0.111 0.000 1.554 530 Y CB 0.082 38.559 38.460 0.027 0.000 1.270 530 Y HN 0.691 nan 8.280 nan 0.000 0.394 531 Q N 4.748 124.762 119.800 0.355 0.000 2.479 531 Q HA 0.059 4.399 4.340 -0.000 0.000 0.267 531 Q C -0.117 175.773 176.000 -0.183 0.000 1.071 531 Q CA 1.091 56.979 55.803 0.141 0.000 0.935 531 Q CB 0.713 29.570 28.738 0.199 0.000 1.295 531 Q HN 0.949 nan 8.270 nan 0.000 0.476 532 D N 0.949 121.277 120.400 -0.121 0.000 2.828 532 D HA -0.140 4.500 4.640 -0.000 0.000 0.241 532 D C 0.746 176.903 176.300 -0.238 0.000 1.142 532 D CA 0.982 54.893 54.000 -0.149 0.000 0.755 532 D CB -0.985 39.747 40.800 -0.114 0.000 1.014 532 D HN 0.814 nan 8.370 nan 0.000 0.420 533 G N 0.934 109.642 108.800 -0.153 0.000 2.434 533 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.214 533 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.214 533 G C 1.627 176.492 174.900 -0.059 0.000 1.202 533 G CA 1.034 46.095 45.100 -0.064 0.000 0.788 533 G HN 0.553 nan 8.290 nan 0.000 0.539 534 G N -0.004 108.742 108.800 -0.090 0.000 2.689 534 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 534 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 534 G C 1.412 176.148 174.900 -0.274 0.000 1.119 534 G CA 1.202 46.154 45.100 -0.247 0.000 0.732 534 G HN 0.557 nan 8.290 nan 0.000 0.576 535 E N -1.161 118.935 120.200 -0.173 0.000 2.421 535 E HA 0.173 4.523 4.350 -0.000 0.000 0.209 535 E C 2.156 178.736 176.600 -0.033 0.000 0.871 535 E CA -0.576 55.764 56.400 -0.099 0.000 1.064 535 E CB -0.071 29.597 29.700 -0.054 0.000 1.075 535 E HN 0.228 nan 8.360 nan 0.000 0.513 536 L N 1.900 123.131 121.223 0.015 0.000 2.034 536 L HA -0.293 4.046 4.340 -0.000 0.000 0.217 536 L C 2.257 179.208 176.870 0.135 0.000 1.077 536 L CA 2.382 57.330 54.840 0.180 0.000 0.769 536 L CB -1.001 41.263 42.059 0.341 0.000 0.890 536 L HN 0.097 nan 8.230 nan 0.000 0.435 537 A N 0.608 123.433 122.820 0.009 0.000 1.894 537 A HA -0.332 3.988 4.320 -0.000 0.000 0.220 537 A C 1.934 179.549 177.584 0.052 0.000 1.237 537 A CA 2.420 54.471 52.037 0.023 0.000 0.660 537 A CB -1.004 17.746 19.000 -0.416 0.000 0.835 537 A HN 0.694 nan 8.150 nan 0.000 0.461 538 N N -0.329 118.370 118.700 -0.002 0.000 2.309 538 N HA -0.105 4.635 4.740 -0.000 0.000 0.182 538 N C 1.604 177.140 175.510 0.044 0.000 1.018 538 N CA 1.343 54.405 53.050 0.021 0.000 0.876 538 N CB -0.272 38.217 38.487 0.003 0.000 0.972 538 N HN 0.628 nan 8.380 nan 0.000 0.434 539 K N 1.019 121.456 120.400 0.061 0.000 1.965 539 K HA -0.042 4.278 4.320 -0.000 0.000 0.214 539 K C 2.061 178.702 176.600 0.068 0.000 1.046 539 K CA 0.925 57.253 56.287 0.070 0.000 0.944 539 K CB -0.197 32.360 32.500 0.094 0.000 0.726 539 K HN 0.025 nan 8.250 nan 0.000 0.441 540 I N 1.688 122.310 120.570 0.088 0.000 2.143 540 I HA -0.349 3.821 4.170 -0.000 0.000 0.245 540 I C 2.304 178.465 176.117 0.073 0.000 1.068 540 I CA 1.798 63.148 61.300 0.082 0.000 1.326 540 I CB -1.355 36.711 38.000 0.110 0.000 1.028 540 I HN 0.268 nan 8.210 nan 0.000 0.412 541 R N 0.761 121.311 120.500 0.083 0.000 2.066 541 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 541 R C 2.205 178.539 176.300 0.056 0.000 1.131 541 R CA 1.311 57.458 56.100 0.079 0.000 0.955 541 R CB -0.357 29.998 30.300 0.092 0.000 0.851 541 R HN 0.505 nan 8.270 nan 0.000 0.432 542 E N 0.218 120.444 120.200 0.044 0.000 2.204 542 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 542 E C 2.130 178.745 176.600 0.026 0.000 0.990 542 E CA 0.841 57.260 56.400 0.030 0.000 0.821 542 E CB 0.091 29.806 29.700 0.026 0.000 0.750 542 E HN 0.279 nan 8.360 nan 0.000 0.477 543 R N 0.467 120.985 120.500 0.030 0.000 2.051 543 R HA 0.017 4.357 4.340 -0.000 0.000 0.225 543 R C 2.457 178.767 176.300 0.017 0.000 1.155 543 R CA 0.595 56.708 56.100 0.022 0.000 0.945 543 R CB -0.430 29.885 30.300 0.025 0.000 0.840 543 R HN 0.010 nan 8.270 nan 0.000 0.432 544 R N 1.856 122.371 120.500 0.024 0.000 2.154 544 R HA -0.180 4.160 4.340 -0.000 0.000 0.248 544 R C 1.891 178.198 176.300 0.012 0.000 1.155 544 R CA 1.655 57.767 56.100 0.019 0.000 0.979 544 R CB -0.197 30.124 30.300 0.034 0.000 0.869 544 R HN 0.193 nan 8.270 nan 0.000 0.452 545 R N 0.089 120.600 120.500 0.019 0.000 2.057 545 R HA 0.023 4.363 4.340 -0.000 0.000 0.229 545 R C 1.962 178.260 176.300 -0.003 0.000 1.136 545 R CA 1.140 57.246 56.100 0.011 0.000 0.952 545 R CB -0.111 30.200 30.300 0.019 0.000 0.848 545 R HN -0.006 nan 8.270 nan 0.000 0.430 546 K N 0.512 120.912 120.400 0.000 0.000 2.611 546 K HA 0.014 4.334 4.320 -0.000 0.000 0.193 546 K C 0.164 176.758 176.600 -0.011 0.000 1.026 546 K CA 0.658 56.941 56.287 -0.005 0.000 1.063 546 K CB -0.058 32.442 32.500 -0.000 0.000 0.839 546 K HN 0.465 nan 8.250 nan 0.000 0.505 547 G N 2.444 111.234 108.800 -0.015 0.000 2.372 547 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.290 547 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.290 547 G C 0.375 175.266 174.900 -0.016 0.000 0.965 547 G CA 1.060 46.147 45.100 -0.022 0.000 1.263 547 G HN 0.557 nan 8.290 nan 0.000 0.498 548 E N -1.028 119.166 120.200 -0.010 0.000 2.550 548 E HA 0.208 4.558 4.350 -0.000 0.000 0.206 548 E C 0.743 177.339 176.600 -0.006 0.000 0.845 548 E CA -0.550 55.846 56.400 -0.007 0.000 1.461 548 E CB 0.309 30.009 29.700 -0.001 0.000 1.452 548 E HN 0.329 nan 8.360 nan 0.000 0.780 549 I N 1.414 121.983 120.570 -0.002 0.000 2.566 549 I HA 0.227 4.397 4.170 -0.000 0.000 0.303 549 I C 0.598 176.710 176.117 -0.008 0.000 0.983 549 I CA -0.320 60.979 61.300 -0.002 0.000 1.235 549 I CB 1.536 39.542 38.000 0.010 0.000 1.386 549 I HN 0.011 nan 8.210 nan 0.000 0.494 550 S N 2.446 118.140 115.700 -0.011 0.000 2.589 550 S HA 0.055 4.525 4.470 -0.000 0.000 0.265 550 S C 0.262 174.852 174.600 -0.017 0.000 1.342 550 S CA -0.318 57.871 58.200 -0.018 0.000 1.005 550 S CB 0.275 63.463 63.200 -0.020 0.000 0.909 550 S HN 0.485 nan 8.310 nan 0.000 0.555 551 D N 2.073 122.451 120.400 -0.036 0.000 2.538 551 D HA 0.194 4.834 4.640 -0.000 0.000 0.234 551 D C 0.100 176.379 176.300 -0.036 0.000 1.191 551 D CA 0.059 54.028 54.000 -0.051 0.000 0.828 551 D CB 0.141 40.873 40.800 -0.113 0.000 0.981 551 D HN 0.526 nan 8.370 nan 0.000 0.490 552 E N 0.039 120.235 120.200 -0.007 0.000 2.846 552 E HA 0.130 4.479 4.350 -0.000 0.000 0.211 552 E C -0.439 176.174 176.600 0.020 0.000 0.975 552 E CA -0.074 56.333 56.400 0.013 0.000 1.211 552 E CB 1.872 31.573 29.700 0.001 0.000 1.052 552 E HN -0.012 nan 8.360 nan 0.000 0.487 553 V N 2.485 122.412 119.914 0.022 0.000 2.326 553 V HA 0.332 4.451 4.120 -0.000 0.000 0.281 553 V C -0.242 175.876 176.094 0.039 0.000 1.015 553 V CA -0.775 61.538 62.300 0.022 0.000 0.823 553 V CB 1.252 33.082 31.823 0.012 0.000 1.009 553 V HN 0.087 nan 8.190 nan 0.000 0.436 554 N N 3.522 122.246 118.700 0.040 0.000 2.342 554 N HA 0.653 5.393 4.740 -0.000 0.000 0.293 554 N C -1.123 174.412 175.510 0.042 0.000 1.026 554 N CA -0.318 52.762 53.050 0.051 0.000 0.857 554 N CB 2.792 41.311 38.487 0.054 0.000 1.256 554 N HN 0.367 nan 8.380 nan 0.000 0.484 555 V N 0.633 120.578 119.914 0.052 0.000 2.447 555 V HA 0.623 4.743 4.120 -0.000 0.000 0.292 555 V C 0.562 176.638 176.094 -0.030 0.000 1.021 555 V CA -0.879 61.423 62.300 0.005 0.000 0.850 555 V CB 1.467 33.321 31.823 0.051 0.000 1.005 555 V HN 0.731 nan 8.190 nan 0.000 0.426 556 G N 2.272 110.992 108.800 -0.132 0.000 2.509 556 G HA2 0.738 4.698 3.960 -0.000 0.000 0.328 556 G HA3 0.738 4.698 3.960 -0.000 0.000 0.328 556 G C -0.949 173.729 174.900 -0.369 0.000 1.194 556 G CA -0.505 44.553 45.100 -0.070 0.000 0.967 556 G HN 0.711 nan 8.290 nan 0.000 0.488 557 H N 0.878 120.011 119.070 0.105 0.000 3.177 557 H HA 0.168 4.723 4.556 -0.000 0.000 0.314 557 H C -0.673 174.712 175.328 0.094 0.000 1.059 557 H CA -0.627 55.475 56.048 0.090 0.000 1.515 557 H CB 1.550 31.346 29.762 0.057 0.000 1.672 557 H HN 0.151 nan 8.280 nan 0.000 0.514 558 I N 4.203 124.885 120.570 0.186 0.000 2.436 558 I HA -0.034 4.136 4.170 -0.000 0.000 0.289 558 I C 1.506 177.701 176.117 0.131 0.000 1.083 558 I CA 0.153 61.545 61.300 0.154 0.000 1.372 558 I CB 0.448 38.565 38.000 0.195 0.000 1.408 558 I HN 0.322 nan 8.210 nan 0.000 0.516 559 V N 5.599 125.582 119.914 0.115 0.000 2.620 559 V HA 0.219 4.339 4.120 -0.000 0.000 0.194 559 V C 0.790 176.945 176.094 0.102 0.000 1.155 559 V CA 0.298 62.658 62.300 0.100 0.000 1.265 559 V CB -0.763 31.115 31.823 0.091 0.000 0.841 559 V HN 0.939 nan 8.190 nan 0.000 0.488 560 T N 0.543 115.161 114.554 0.106 0.000 0.541 560 T HA -0.167 4.183 4.350 -0.000 0.000 0.774 560 T C -0.234 174.545 174.700 0.132 0.000 0.992 560 T CA 0.574 62.765 62.100 0.151 0.000 4.077 560 T CB -0.596 68.386 68.868 0.190 0.000 2.303 560 T HN 0.731 nan 8.240 nan 0.000 0.398 561 D N -0.135 120.373 120.400 0.180 0.000 2.328 561 D HA 0.354 4.993 4.640 -0.000 0.000 0.221 561 D C 1.052 177.119 176.300 -0.387 0.000 1.072 561 D CA 0.452 54.383 54.000 -0.116 0.000 0.850 561 D CB 0.033 40.685 40.800 -0.245 0.000 0.922 561 D HN 0.468 nan 8.370 nan 0.000 0.516 562 F N -0.684 119.277 119.950 0.019 0.000 2.754 562 F HA 0.340 4.867 4.527 -0.000 0.000 0.316 562 F C 0.751 176.569 175.800 0.029 0.000 0.959 562 F CA -0.344 57.668 58.000 0.019 0.000 1.148 562 F CB 0.479 39.490 39.000 0.017 0.000 0.951 562 F HN -0.237 nan 8.300 nan 0.000 0.625 563 I N 0.065 120.777 120.570 0.238 0.000 2.793 563 I HA 0.283 4.452 4.170 -0.000 0.000 0.313 563 I C 0.268 176.453 176.117 0.113 0.000 0.998 563 I CA -0.118 61.275 61.300 0.155 0.000 1.140 563 I CB 1.439 39.523 38.000 0.141 0.000 1.327 563 I HN 0.034 nan 8.210 nan 0.000 0.491 564 N N 0.767 119.523 118.700 0.093 0.000 2.167 564 N HA 0.138 4.878 4.740 -0.000 0.000 0.234 564 N C -0.673 174.865 175.510 0.048 0.000 1.312 564 N CA -0.099 52.996 53.050 0.075 0.000 0.861 564 N CB 0.665 39.200 38.487 0.081 0.000 1.217 564 N HN 0.571 nan 8.380 nan 0.000 0.504 565 E N 0.489 120.704 120.200 0.024 0.000 2.354 565 E HA 0.218 4.567 4.350 -0.000 0.000 0.269 565 E C -0.771 175.697 176.600 -0.219 0.000 1.036 565 E CA -0.160 56.171 56.400 -0.116 0.000 0.876 565 E CB 2.005 31.631 29.700 -0.123 0.000 1.009 565 E HN -0.096 nan 8.360 nan 0.000 0.416 566 V N 4.323 124.018 119.914 -0.366 0.000 2.448 566 V HA 0.176 4.296 4.120 -0.000 0.000 0.295 566 V C -0.578 175.181 176.094 -0.559 0.000 1.025 566 V CA -0.748 61.342 62.300 -0.350 0.000 0.859 566 V CB 1.157 32.937 31.823 -0.072 0.000 0.988 566 V HN 0.657 nan 8.190 nan 0.000 0.431 567 H N 3.751 122.698 119.070 -0.204 0.000 2.638 567 H HA 0.454 5.010 4.556 -0.000 0.000 0.317 567 H C -0.633 174.621 175.328 -0.123 0.000 1.006 567 H CA -0.459 55.516 56.048 -0.122 0.000 1.222 567 H CB 1.952 31.667 29.762 -0.079 0.000 1.419 567 H HN 0.378 nan 8.280 nan 0.000 0.489 568 V N 3.977 123.895 119.914 0.007 0.000 2.607 568 V HA 0.156 4.276 4.120 -0.000 0.000 0.289 568 V C 0.443 176.554 176.094 0.028 0.000 1.053 568 V CA -0.470 61.834 62.300 0.007 0.000 0.996 568 V CB 1.281 33.101 31.823 -0.006 0.000 0.995 568 V HN 0.706 nan 8.190 nan 0.000 0.476 569 N N 1.296 120.010 118.700 0.024 0.000 2.235 569 N HA 0.525 5.265 4.740 -0.000 0.000 0.293 569 N C -0.271 175.248 175.510 0.015 0.000 1.083 569 N CA -0.375 52.688 53.050 0.022 0.000 0.801 569 N CB 2.201 40.705 38.487 0.029 0.000 1.559 569 N HN 0.704 nan 8.380 nan 0.000 0.472 570 C N -0.033 119.271 119.300 0.007 0.000 3.186 570 C HA 0.215 4.675 4.460 -0.000 0.000 0.130 570 C C -0.764 174.229 174.990 0.005 0.000 2.543 570 C CA 0.781 59.801 59.018 0.002 0.000 0.995 570 C CB -0.671 27.062 27.740 -0.010 0.000 1.604 570 C HN 1.006 nan 8.230 nan 0.000 0.645 571 D N 1.359 121.758 120.400 -0.002 0.000 2.947 571 D HA -0.168 4.472 4.640 -0.000 0.000 0.077 571 D C -0.449 175.855 176.300 0.006 0.000 0.980 571 D CA 0.811 54.810 54.000 -0.003 0.000 0.524 571 D CB -0.488 40.307 40.800 -0.009 0.000 0.717 571 D HN 0.321 nan 8.370 nan 0.000 0.245 572 S N 1.841 117.544 115.700 0.004 0.000 2.457 572 S HA 0.519 4.988 4.470 -0.000 0.000 0.294 572 S C 0.621 175.228 174.600 0.011 0.000 1.201 572 S CA 0.430 58.637 58.200 0.010 0.000 1.112 572 S CB -0.485 62.722 63.200 0.012 0.000 1.018 572 S HN 1.330 nan 8.310 nan 0.000 0.511 573 G N 4.087 112.897 108.800 0.017 0.000 3.306 573 G HA2 0.139 4.099 3.960 -0.000 0.000 0.672 573 G HA3 0.139 4.099 3.960 -0.000 0.000 0.672 573 G C -0.931 173.986 174.900 0.027 0.000 1.212 573 G CA -0.922 44.189 45.100 0.019 0.000 1.150 573 G HN 0.899 nan 8.290 nan 0.000 0.509 574 R N 0.390 120.912 120.500 0.037 0.000 4.635 574 R HA 0.307 4.647 4.340 -0.000 0.000 0.305 574 R C -1.013 175.310 176.300 0.039 0.000 0.882 574 R CA -1.098 55.031 56.100 0.048 0.000 1.298 574 R CB -0.241 30.084 30.300 0.041 0.000 1.324 574 R HN 0.764 nan 8.270 nan 0.000 0.544 575 V N 3.875 123.815 119.914 0.044 0.000 2.446 575 V HA 0.255 4.375 4.120 -0.000 0.000 0.276 575 V C 0.499 176.561 176.094 -0.054 0.000 1.030 575 V CA 0.065 62.345 62.300 -0.034 0.000 1.033 575 V CB -0.008 31.738 31.823 -0.128 0.000 0.993 575 V HN 0.752 nan 8.190 nan 0.000 0.477 576 R N 3.671 124.124 120.500 -0.078 0.000 2.686 576 R HA 0.846 5.186 4.340 -0.000 0.000 0.286 576 R C -0.695 175.456 176.300 -0.249 0.000 0.969 576 R CA -1.120 54.915 56.100 -0.109 0.000 0.898 576 R CB 1.806 32.086 30.300 -0.033 0.000 1.183 576 R HN 0.544 nan 8.270 nan 0.000 0.456 577 R N 2.348 122.692 120.500 -0.261 0.000 2.474 577 R HA 0.471 4.810 4.340 -0.000 0.000 0.295 577 R C -2.489 173.526 176.300 -0.475 0.000 0.980 577 R CA -1.938 53.959 56.100 -0.338 0.000 0.934 577 R CB 1.308 31.496 30.300 -0.187 0.000 1.101 577 R HN 0.533 nan 8.270 nan 0.000 0.469 578 P HA 0.257 nan 4.420 nan 0.000 0.300 578 P C -1.196 176.032 177.300 -0.119 0.000 1.356 578 P CA -0.280 62.537 63.100 -0.471 0.000 0.823 578 P CB 1.106 32.485 31.700 -0.534 0.000 0.934 579 L N 3.550 124.778 121.223 0.009 0.000 2.313 579 L HA 0.559 4.899 4.340 -0.000 0.000 0.268 579 L C 0.880 177.852 176.870 0.171 0.000 1.010 579 L CA -1.442 53.455 54.840 0.094 0.000 0.814 579 L CB 1.540 43.643 42.059 0.074 0.000 1.304 579 L HN 0.200 nan 8.230 nan 0.000 0.441 580 I N 1.978 122.656 120.570 0.179 0.000 2.581 580 I HA 0.146 4.315 4.170 -0.000 0.000 0.288 580 I C -0.242 175.981 176.117 0.177 0.000 1.047 580 I CA -0.420 60.972 61.300 0.154 0.000 1.374 580 I CB 1.133 39.210 38.000 0.128 0.000 1.423 580 I HN 0.242 nan 8.210 nan 0.000 0.549 581 I N 6.217 126.847 120.570 0.101 0.000 2.385 581 I HA 0.264 4.433 4.170 -0.000 0.000 0.294 581 I C -0.114 175.993 176.117 -0.016 0.000 0.988 581 I CA -0.494 60.815 61.300 0.015 0.000 1.265 581 I CB 1.291 39.293 38.000 0.003 0.000 1.388 581 I HN 0.138 nan 8.210 nan 0.000 0.480 582 V N 5.075 124.940 119.914 -0.083 0.000 2.443 582 V HA 0.182 4.302 4.120 -0.000 0.000 0.272 582 V C 0.201 176.269 176.094 -0.044 0.000 1.002 582 V CA -0.592 61.693 62.300 -0.025 0.000 0.840 582 V CB 1.253 33.099 31.823 0.038 0.000 1.042 582 V HN 0.882 nan 8.190 nan 0.000 0.446 583 S N 3.221 118.903 115.700 -0.031 0.000 2.525 583 S HA 0.444 4.914 4.470 -0.000 0.000 0.278 583 S C 0.517 175.117 174.600 0.001 0.000 1.234 583 S CA -0.499 57.690 58.200 -0.017 0.000 1.058 583 S CB 0.709 63.899 63.200 -0.016 0.000 0.983 583 S HN 0.754 nan 8.310 nan 0.000 0.495 584 N N 1.381 120.083 118.700 0.004 0.000 2.714 584 N HA -0.158 4.582 4.740 -0.000 0.000 0.252 584 N C 0.704 176.219 175.510 0.010 0.000 1.014 584 N CA 1.201 54.252 53.050 0.003 0.000 0.735 584 N CB -1.925 36.563 38.487 0.001 0.000 0.924 584 N HN 1.739 nan 8.380 nan 0.000 0.540 585 G N -0.138 108.674 108.800 0.020 0.000 2.386 585 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.295 585 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.295 585 G C -0.294 174.631 174.900 0.042 0.000 0.979 585 G CA 0.403 45.526 45.100 0.038 0.000 1.193 585 G HN 0.664 nan 8.290 nan 0.000 0.508 586 N N -0.161 118.563 118.700 0.040 0.000 2.242 586 N HA 0.534 5.274 4.740 -0.000 0.000 0.292 586 N C -2.197 173.340 175.510 0.045 0.000 1.125 586 N CA -1.175 51.899 53.050 0.040 0.000 0.783 586 N CB 3.010 41.513 38.487 0.027 0.000 1.558 586 N HN 0.097 nan 8.380 nan 0.000 0.472 587 P HA 0.495 nan 4.420 nan 0.000 0.320 587 P C -0.991 176.333 177.300 0.040 0.000 1.402 587 P CA -0.153 62.980 63.100 0.055 0.000 0.873 587 P CB 0.688 32.429 31.700 0.067 0.000 2.179 588 L N -2.257 118.990 121.223 0.041 0.000 2.849 588 L HA 0.283 4.623 4.340 -0.000 0.000 0.256 588 L C 0.099 176.988 176.870 0.032 0.000 0.951 588 L CA -0.442 54.414 54.840 0.028 0.000 1.003 588 L CB 0.931 43.000 42.059 0.016 0.000 1.408 588 L HN -0.087 nan 8.230 nan 0.000 0.463 589 V N -0.324 119.608 119.914 0.030 0.000 2.695 589 V HA -0.033 4.087 4.120 -0.000 0.000 0.230 589 V C 2.058 178.169 176.094 0.028 0.000 1.110 589 V CA 1.663 63.983 62.300 0.035 0.000 1.159 589 V CB -0.023 31.823 31.823 0.039 0.000 0.875 589 V HN 0.879 nan 8.190 nan 0.000 0.502 590 T N 1.656 116.223 114.554 0.022 0.000 2.635 590 T HA -0.340 4.010 4.350 -0.000 0.000 0.265 590 T C 1.730 176.440 174.700 0.015 0.000 1.058 590 T CA 2.745 64.856 62.100 0.018 0.000 1.162 590 T CB -0.594 68.282 68.868 0.013 0.000 0.859 590 T HN 0.328 nan 8.240 nan 0.000 0.449 591 I N 1.231 121.807 120.570 0.011 0.000 2.132 591 I HA -0.291 3.879 4.170 -0.000 0.000 0.238 591 I C 2.577 178.701 176.117 0.012 0.000 1.012 591 I CA 1.818 63.121 61.300 0.005 0.000 1.288 591 I CB -0.695 37.304 38.000 -0.001 0.000 0.997 591 I HN 0.211 nan 8.210 nan 0.000 0.402 592 E N 0.701 120.914 120.200 0.022 0.000 2.108 592 E HA -0.279 4.070 4.350 -0.000 0.000 0.203 592 E C 1.835 178.452 176.600 0.027 0.000 1.022 592 E CA 2.019 58.438 56.400 0.030 0.000 0.823 592 E CB -0.445 29.282 29.700 0.045 0.000 0.744 592 E HN 0.620 nan 8.360 nan 0.000 0.456 593 D N 0.108 120.524 120.400 0.027 0.000 2.310 593 D HA -0.131 4.508 4.640 -0.000 0.000 0.212 593 D C 1.963 178.274 176.300 0.020 0.000 0.965 593 D CA 0.576 54.592 54.000 0.027 0.000 0.879 593 D CB 0.066 40.882 40.800 0.026 0.000 0.921 593 D HN 0.294 nan 8.370 nan 0.000 0.510 594 I N 0.681 121.259 120.570 0.014 0.000 2.277 594 I HA -0.115 4.055 4.170 -0.000 0.000 0.243 594 I C 2.053 178.174 176.117 0.007 0.000 1.094 594 I CA 0.917 62.223 61.300 0.009 0.000 1.393 594 I CB -1.053 36.949 38.000 0.004 0.000 1.078 594 I HN -0.099 nan 8.210 nan 0.000 0.417 595 E N 1.717 121.920 120.200 0.006 0.000 2.150 595 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 595 E C 2.100 178.700 176.600 -0.000 0.000 0.985 595 E CA 0.844 57.244 56.400 -0.000 0.000 0.814 595 E CB -0.052 29.646 29.700 -0.004 0.000 0.752 595 E HN 0.448 nan 8.360 nan 0.000 0.466 596 K N 0.322 120.728 120.400 0.009 0.000 2.059 596 K HA -0.152 4.168 4.320 -0.000 0.000 0.212 596 K C 0.956 177.567 176.600 0.019 0.000 1.050 596 K CA 1.039 57.337 56.287 0.018 0.000 0.927 596 K CB -0.044 32.476 32.500 0.033 0.000 0.714 596 K HN 0.127 nan 8.250 nan 0.000 0.447 597 L N 1.045 122.278 121.223 0.017 0.000 3.096 597 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 597 L C -1.291 175.585 176.870 0.010 0.000 1.311 597 L CA -0.345 54.505 54.840 0.016 0.000 0.943 597 L CB 0.264 42.335 42.059 0.019 0.000 1.348 597 L HN 0.169 nan 8.230 nan 0.000 0.562 598 E N 0.208 120.411 120.200 0.006 0.000 7.552 598 E HA -0.122 4.228 4.350 -0.000 0.000 0.415 598 E C -0.637 175.965 176.600 0.002 0.000 0.495 598 E CA 0.505 56.906 56.400 0.002 0.000 0.933 598 E CB -0.353 29.349 29.700 0.003 0.000 0.951 598 E HN 0.412 nan 8.360 nan 0.000 0.262 599 S N 1.119 116.819 115.700 -0.001 0.000 2.536 599 S HA 0.737 5.206 4.470 -0.000 0.000 0.298 599 S C 0.896 175.493 174.600 -0.004 0.000 1.083 599 S CA -0.150 58.049 58.200 -0.002 0.000 0.995 599 S CB 2.042 65.240 63.200 -0.002 0.000 1.058 599 S HN 0.697 nan 8.310 nan 0.000 0.488 600 G N 0.993 109.790 108.800 -0.005 0.000 2.494 600 G HA2 0.210 4.170 3.960 -0.000 0.000 0.216 600 G HA3 0.210 4.170 3.960 -0.000 0.000 0.216 600 G C 1.379 176.272 174.900 -0.012 0.000 1.140 600 G CA 0.418 45.514 45.100 -0.007 0.000 0.801 600 G HN 1.210 nan 8.290 nan 0.000 0.536 601 A N 0.030 122.843 122.820 -0.012 0.000 2.234 601 A HA 0.288 4.608 4.320 -0.000 0.000 0.216 601 A C 1.218 178.789 177.584 -0.021 0.000 1.167 601 A CA 0.614 52.639 52.037 -0.019 0.000 0.698 601 A CB -0.299 18.691 19.000 -0.017 0.000 0.779 601 A HN 0.527 nan 8.150 nan 0.000 0.475 602 I N -2.402 118.159 120.570 -0.014 0.000 9.325 602 I HA -0.298 3.872 4.170 -0.000 0.000 0.143 602 I C 0.832 176.949 176.117 0.000 0.000 1.861 602 I CA 0.815 62.109 61.300 -0.010 0.000 2.056 602 I CB -1.062 36.929 38.000 -0.015 0.000 3.975 602 I HN 0.503 nan 8.210 nan 0.000 0.177 603 T N 0.471 115.031 114.554 0.010 0.000 2.855 603 T HA 0.058 4.408 4.350 -0.000 0.000 0.322 603 T C 0.710 175.460 174.700 0.083 0.000 1.088 603 T CA 0.436 62.562 62.100 0.044 0.000 1.104 603 T CB 0.227 69.119 68.868 0.041 0.000 0.996 603 T HN 0.582 nan 8.240 nan 0.000 0.549 604 F N 1.647 121.579 119.950 -0.030 0.000 2.065 604 F HA -0.396 4.131 4.527 -0.000 0.000 0.286 604 F C 1.995 177.798 175.800 0.005 0.000 1.072 604 F CA 2.679 60.680 58.000 0.001 0.000 1.288 604 F CB -0.704 38.329 39.000 0.055 0.000 0.963 604 F HN 0.709 nan 8.300 nan 0.000 0.496 605 D N -0.234 120.263 120.400 0.162 0.000 2.315 605 D HA -0.248 4.392 4.640 -0.000 0.000 0.198 605 D C 1.558 177.811 176.300 -0.079 0.000 1.010 605 D CA 2.048 56.070 54.000 0.037 0.000 0.911 605 D CB -0.403 40.423 40.800 0.042 0.000 0.897 605 D HN 0.536 nan 8.370 nan 0.000 0.455 606 D N -1.408 118.937 120.400 -0.093 0.000 2.417 606 D HA 0.128 4.768 4.640 -0.000 0.000 0.207 606 D C 1.964 178.181 176.300 -0.139 0.000 1.075 606 D CA -0.151 53.789 54.000 -0.100 0.000 0.851 606 D CB 0.393 41.158 40.800 -0.059 0.000 0.976 606 D HN 0.074 nan 8.370 nan 0.000 0.505 607 L N -0.058 121.034 121.223 -0.219 0.000 2.083 607 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 607 L C 2.061 178.774 176.870 -0.262 0.000 1.083 607 L CA 0.877 55.562 54.840 -0.257 0.000 0.752 607 L CB -0.119 41.704 42.059 -0.392 0.000 0.899 607 L HN 0.034 nan 8.230 nan 0.000 0.433 608 V N -1.282 118.434 119.914 -0.330 0.000 2.283 608 V HA -0.218 3.902 4.120 -0.000 0.000 0.243 608 V C 2.518 178.519 176.094 -0.156 0.000 1.039 608 V CA 1.468 63.613 62.300 -0.258 0.000 1.016 608 V CB -0.831 30.807 31.823 -0.308 0.000 0.650 608 V HN 0.388 nan 8.190 nan 0.000 0.449 609 R N 0.145 120.562 120.500 -0.139 0.000 2.117 609 R HA -0.282 4.058 4.340 -0.000 0.000 0.243 609 R C 2.443 178.700 176.300 -0.072 0.000 1.143 609 R CA 2.271 58.314 56.100 -0.095 0.000 0.968 609 R CB -0.289 29.962 30.300 -0.080 0.000 0.863 609 R HN 0.646 nan 8.270 nan 0.000 0.444 610 Q N -0.863 118.890 119.800 -0.079 0.000 2.364 610 Q HA -0.087 4.253 4.340 -0.000 0.000 0.207 610 Q C 0.731 176.703 176.000 -0.046 0.000 0.970 610 Q CA 1.189 56.956 55.803 -0.059 0.000 0.888 610 Q CB 0.124 28.823 28.738 -0.065 0.000 0.951 610 Q HN 0.614 nan 8.270 nan 0.000 0.469 611 G N 0.278 109.048 108.800 -0.051 0.000 2.136 611 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.242 611 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.242 611 G C 0.575 175.465 174.900 -0.017 0.000 0.989 611 G CA 0.560 45.645 45.100 -0.024 0.000 0.682 611 G HN 0.385 nan 8.290 nan 0.000 0.522 612 K N -0.966 119.409 120.400 -0.041 0.000 2.211 612 K HA 0.291 4.611 4.320 -0.000 0.000 0.201 612 K C 1.014 177.602 176.600 -0.020 0.000 1.052 612 K CA 0.609 56.877 56.287 -0.032 0.000 0.973 612 K CB 0.327 32.795 32.500 -0.053 0.000 0.766 612 K HN 0.385 nan 8.250 nan 0.000 0.466 613 I N 0.734 121.271 120.570 -0.055 0.000 2.693 613 I HA 0.308 4.477 4.170 -0.000 0.000 0.303 613 I C -0.541 175.618 176.117 0.071 0.000 1.025 613 I CA -0.677 60.620 61.300 -0.005 0.000 1.086 613 I CB 1.861 39.766 38.000 -0.159 0.000 1.268 613 I HN 0.023 nan 8.210 nan 0.000 0.440 614 E N 2.781 123.092 120.200 0.185 0.000 2.331 614 E HA 0.367 4.717 4.350 -0.000 0.000 0.275 614 E C -1.855 174.945 176.600 0.333 0.000 0.895 614 E CA -0.568 55.964 56.400 0.220 0.000 0.753 614 E CB 2.228 32.059 29.700 0.219 0.000 1.216 614 E HN 0.317 nan 8.360 nan 0.000 0.434 615 Y N 2.891 123.203 120.300 0.019 0.000 2.518 615 Y HA 0.309 4.859 4.550 -0.000 0.000 0.344 615 Y C -0.169 175.724 175.900 -0.011 0.000 0.982 615 Y CA -0.529 57.575 58.100 0.007 0.000 1.234 615 Y CB 0.515 38.986 38.460 0.019 0.000 1.114 615 Y HN 0.389 nan 8.280 nan 0.000 0.515 616 L N 3.640 124.855 121.223 -0.013 0.000 2.276 616 L HA 0.184 4.524 4.340 -0.000 0.000 0.286 616 L C 1.174 178.029 176.870 -0.026 0.000 1.061 616 L CA -0.169 54.644 54.840 -0.045 0.000 0.807 616 L CB 1.111 43.078 42.059 -0.152 0.000 1.177 616 L HN 0.545 nan 8.230 nan 0.000 0.429 617 D N 2.578 122.985 120.400 0.012 0.000 2.077 617 D HA -0.097 4.543 4.640 -0.000 0.000 0.193 617 D C 1.191 177.505 176.300 0.023 0.000 0.989 617 D CA 1.967 55.984 54.000 0.028 0.000 0.831 617 D CB 0.451 41.278 40.800 0.045 0.000 0.979 617 D HN 0.690 nan 8.370 nan 0.000 0.449 618 A N -1.331 121.512 122.820 0.039 0.000 3.564 618 A HA -0.137 4.183 4.320 -0.000 0.000 0.196 618 A C 1.629 179.311 177.584 0.163 0.000 1.294 618 A CA 1.053 53.125 52.037 0.060 0.000 1.188 618 A CB -1.683 17.309 19.000 -0.013 0.000 0.809 618 A HN 0.193 nan 8.150 nan 0.000 0.393 619 E N 0.758 121.053 120.200 0.159 0.000 2.160 619 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 619 E C 1.644 178.298 176.600 0.090 0.000 0.991 619 E CA 2.087 58.570 56.400 0.139 0.000 0.810 619 E CB -0.077 29.666 29.700 0.071 0.000 0.742 619 E HN 0.723 nan 8.360 nan 0.000 0.466 620 E N -0.503 119.737 120.200 0.067 0.000 2.276 620 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 620 E C 1.685 178.289 176.600 0.006 0.000 0.983 620 E CA 0.211 56.641 56.400 0.051 0.000 0.861 620 E CB 0.038 29.769 29.700 0.051 0.000 0.817 620 E HN 0.282 nan 8.360 nan 0.000 0.485 621 E N 0.660 120.858 120.200 -0.004 0.000 2.267 621 E HA -0.247 4.102 4.350 -0.000 0.000 0.197 621 E C 1.635 178.218 176.600 -0.029 0.000 0.998 621 E CA 0.800 57.174 56.400 -0.044 0.000 0.830 621 E CB 0.154 29.854 29.700 -0.001 0.000 0.751 621 E HN 0.135 nan 8.360 nan 0.000 0.491 622 E N 0.814 121.036 120.200 0.036 0.000 2.070 622 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 622 E C 1.585 178.173 176.600 -0.020 0.000 1.004 622 E CA 1.724 58.150 56.400 0.043 0.000 0.805 622 E CB 0.019 29.763 29.700 0.073 0.000 0.744 622 E HN 0.209 nan 8.360 nan 0.000 0.451 623 N N -0.096 118.579 118.700 -0.042 0.000 2.376 623 N HA 0.064 4.804 4.740 -0.000 0.000 0.177 623 N C 0.091 175.322 175.510 -0.464 0.000 1.024 623 N CA 0.764 53.738 53.050 -0.126 0.000 0.893 623 N CB -0.109 38.383 38.487 0.009 0.000 0.980 623 N HN 0.187 nan 8.380 nan 0.000 0.439 624 A N 0.392 123.004 122.820 -0.346 0.000 2.327 624 A HA 0.455 4.775 4.320 -0.000 0.000 0.255 624 A C -0.781 176.444 177.584 -0.597 0.000 1.099 624 A CA 0.024 51.834 52.037 -0.378 0.000 0.801 624 A CB 0.067 18.988 19.000 -0.132 0.000 1.062 624 A HN 0.209 nan 8.150 nan 0.000 0.496 625 Y N -1.625 118.775 120.300 0.167 0.000 2.545 625 Y HA 0.560 5.110 4.550 -0.000 0.000 0.348 625 Y C -0.081 175.818 175.900 -0.001 0.000 1.002 625 Y CA -1.122 57.023 58.100 0.076 0.000 1.039 625 Y CB 2.057 40.641 38.460 0.207 0.000 1.271 625 Y HN 0.617 nan 8.280 nan 0.000 0.467 626 V N -1.067 118.799 119.914 -0.079 0.000 3.007 626 V HA 0.988 5.107 4.120 -0.000 0.000 0.311 626 V C -0.819 175.029 176.094 -0.409 0.000 1.120 626 V CA -1.384 60.813 62.300 -0.171 0.000 0.980 626 V CB 1.563 33.335 31.823 -0.084 0.000 1.033 626 V HN 1.001 nan 8.190 nan 0.000 0.429 627 A N 3.480 126.139 122.820 -0.268 0.000 2.273 627 A HA 0.728 5.047 4.320 -0.000 0.000 0.315 627 A C 0.858 178.425 177.584 -0.028 0.000 1.256 627 A CA -0.534 51.385 52.037 -0.196 0.000 0.851 627 A CB 0.744 19.715 19.000 -0.047 0.000 1.172 627 A HN 1.541 nan 8.150 nan 0.000 0.508 628 L N 0.216 121.421 121.223 -0.029 0.000 2.026 628 L HA -0.184 4.156 4.340 -0.000 0.000 0.231 628 L C 0.594 177.482 176.870 0.031 0.000 1.095 628 L CA 1.442 56.279 54.840 -0.004 0.000 0.810 628 L CB -0.818 41.221 42.059 -0.033 0.000 0.909 628 L HN 0.463 nan 8.230 nan 0.000 0.444 629 E N -0.636 119.611 120.200 0.078 0.000 2.281 629 E HA 0.315 4.665 4.350 -0.000 0.000 0.262 629 E C -1.825 174.856 176.600 0.135 0.000 0.933 629 E CA -2.480 54.001 56.400 0.136 0.000 0.809 629 E CB 0.859 30.690 29.700 0.219 0.000 1.242 629 E HN -0.044 nan 8.360 nan 0.000 0.418 630 P HA -0.145 nan 4.420 nan 0.000 0.222 630 P C 0.924 178.298 177.300 0.123 0.000 1.147 630 P CA 1.038 64.217 63.100 0.132 0.000 0.790 630 P CB 0.487 32.265 31.700 0.130 0.000 0.780 631 N N 1.416 120.191 118.700 0.126 0.000 2.142 631 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 631 N C 0.710 176.281 175.510 0.102 0.000 1.023 631 N CA 1.438 54.553 53.050 0.108 0.000 0.852 631 N CB -0.352 38.202 38.487 0.111 0.000 0.998 631 N HN 0.124 nan 8.380 nan 0.000 0.424 632 D N 0.644 121.114 120.400 0.116 0.000 2.587 632 D HA -0.037 4.603 4.640 -0.000 0.000 0.233 632 D C 1.447 177.843 176.300 0.161 0.000 1.213 632 D CA -0.372 53.699 54.000 0.117 0.000 0.827 632 D CB -0.251 40.615 40.800 0.110 0.000 1.006 632 D HN 0.245 nan 8.370 nan 0.000 0.490 633 L N 0.592 121.910 121.223 0.158 0.000 2.554 633 L HA 0.013 4.353 4.340 -0.000 0.000 0.226 633 L C 1.603 178.565 176.870 0.154 0.000 1.137 633 L CA 0.886 55.855 54.840 0.214 0.000 0.863 633 L CB -0.675 41.481 42.059 0.163 0.000 0.985 633 L HN -0.033 nan 8.230 nan 0.000 0.451 634 T N -0.538 114.066 114.554 0.083 0.000 2.684 634 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 634 T C -0.794 173.886 174.700 -0.033 0.000 1.032 634 T CA 1.512 63.627 62.100 0.024 0.000 1.155 634 T CB -1.894 66.982 68.868 0.013 0.000 0.857 634 T HN 0.409 nan 8.240 nan 0.000 0.457 635 P HA 0.213 nan 4.420 nan 0.000 0.343 635 P C -0.521 176.657 177.300 -0.203 0.000 1.358 635 P CA -0.361 62.604 63.100 -0.225 0.000 0.802 635 P CB 0.209 31.661 31.700 -0.414 0.000 1.886 636 D N -0.221 120.035 120.400 -0.241 0.000 2.631 636 D HA 0.058 4.698 4.640 -0.000 0.000 0.227 636 D C -0.414 175.820 176.300 -0.110 0.000 1.146 636 D CA -0.131 53.791 54.000 -0.131 0.000 1.009 636 D CB -0.587 40.160 40.800 -0.089 0.000 1.057 636 D HN 0.292 nan 8.370 nan 0.000 0.509 637 H N 0.974 120.091 119.070 0.077 0.000 2.517 637 H HA 0.156 4.712 4.556 -0.000 0.000 0.317 637 H C 1.216 176.630 175.328 0.144 0.000 1.080 637 H CA -0.426 55.727 56.048 0.176 0.000 1.301 637 H CB 1.921 31.762 29.762 0.132 0.000 1.425 637 H HN 0.179 nan 8.280 nan 0.000 0.471 638 T N 2.170 116.915 114.554 0.319 0.000 2.867 638 T HA -0.036 4.314 4.350 -0.000 0.000 0.268 638 T C 0.530 175.005 174.700 -0.375 0.000 1.057 638 T CA 1.152 63.218 62.100 -0.056 0.000 1.136 638 T CB 0.065 68.878 68.868 -0.092 0.000 0.874 638 T HN 0.560 nan 8.240 nan 0.000 0.466 639 H N -0.883 118.267 119.070 0.133 0.000 2.851 639 H HA 0.526 5.082 4.556 -0.000 0.000 0.372 639 H C -0.468 174.914 175.328 0.090 0.000 1.158 639 H CA -0.840 55.264 56.048 0.094 0.000 1.159 639 H CB 2.254 32.054 29.762 0.064 0.000 1.757 639 H HN 0.056 nan 8.280 nan 0.000 0.546 640 L N 0.559 121.904 121.223 0.202 0.000 2.874 640 L HA 0.382 4.722 4.340 -0.000 0.000 0.229 640 L C -0.209 176.759 176.870 0.162 0.000 1.200 640 L CA -0.629 54.302 54.840 0.152 0.000 0.976 640 L CB 1.144 43.286 42.059 0.138 0.000 1.887 640 L HN 0.553 nan 8.230 nan 0.000 0.543 641 E N 0.777 121.068 120.200 0.152 0.000 2.246 641 E HA 0.208 4.557 4.350 -0.000 0.000 0.266 641 E C 0.720 177.422 176.600 0.169 0.000 0.880 641 E CA -0.500 55.999 56.400 0.165 0.000 0.762 641 E CB 2.247 32.051 29.700 0.173 0.000 1.180 641 E HN 0.430 nan 8.360 nan 0.000 0.416 642 I N 0.567 121.232 120.570 0.158 0.000 2.142 642 I HA -0.120 4.050 4.170 -0.000 0.000 0.240 642 I C 0.483 176.802 176.117 0.337 0.000 1.078 642 I CA 1.523 62.936 61.300 0.188 0.000 1.343 642 I CB -0.103 37.957 38.000 0.101 0.000 1.046 642 I HN 0.490 nan 8.210 nan 0.000 0.405 643 W N 0.327 121.649 121.300 0.037 0.000 3.216 643 W HA 0.317 4.977 4.660 -0.000 0.000 0.335 643 W C 1.082 177.589 176.519 -0.020 0.000 1.077 643 W CA -0.843 56.537 57.345 0.058 0.000 1.252 643 W CB 1.209 30.748 29.460 0.131 0.000 1.312 643 W HN -0.192 nan 8.180 nan 0.000 0.446 644 S N 4.026 119.655 115.700 -0.118 0.000 2.383 644 S HA -0.102 4.368 4.470 -0.000 0.000 0.227 644 S C -1.121 173.272 174.600 -0.346 0.000 1.026 644 S CA 1.170 59.240 58.200 -0.216 0.000 0.981 644 S CB -0.822 62.204 63.200 -0.290 0.000 0.818 644 S HN 0.372 nan 8.310 nan 0.000 0.472 645 P HA 0.087 nan 4.420 nan 0.000 0.242 645 P C 0.207 177.294 177.300 -0.356 0.000 1.198 645 P CA 0.608 63.311 63.100 -0.663 0.000 0.756 645 P CB -0.206 30.678 31.700 -1.360 0.000 0.911 646 A N -1.004 121.734 122.820 -0.137 0.000 2.577 646 A HA 0.198 4.518 4.320 -0.000 0.000 0.280 646 A C 1.317 178.776 177.584 -0.209 0.000 1.331 646 A CA -0.092 51.961 52.037 0.026 0.000 0.935 646 A CB -1.011 18.105 19.000 0.195 0.000 1.082 646 A HN 0.155 nan 8.150 nan 0.000 0.525 647 I N -0.506 119.878 120.570 -0.310 0.000 3.419 647 I HA 0.079 4.249 4.170 -0.000 0.000 0.286 647 I C 0.293 176.238 176.117 -0.287 0.000 1.268 647 I CA 0.305 61.360 61.300 -0.409 0.000 1.414 647 I CB -0.016 37.721 38.000 -0.438 0.000 1.074 647 I HN 0.223 nan 8.210 nan 0.000 0.457 648 L N 1.330 122.435 121.223 -0.197 0.000 2.371 648 L HA 0.381 4.721 4.340 -0.000 0.000 0.272 648 L C 1.077 177.898 176.870 -0.081 0.000 1.124 648 L CA -0.430 54.327 54.840 -0.137 0.000 0.816 648 L CB 0.605 42.614 42.059 -0.085 0.000 1.129 648 L HN 0.102 nan 8.230 nan 0.000 0.448 649 G N 1.972 110.733 108.800 -0.065 0.000 2.683 649 G HA2 0.152 4.112 3.960 -0.000 0.000 0.260 649 G HA3 0.152 4.112 3.960 -0.000 0.000 0.260 649 G C 1.140 176.028 174.900 -0.019 0.000 1.238 649 G CA -0.501 44.577 45.100 -0.036 0.000 0.934 649 G HN 0.654 nan 8.290 nan 0.000 0.534 650 I N -1.708 118.849 120.570 -0.022 0.000 2.353 650 I HA -0.069 4.101 4.170 -0.000 0.000 0.248 650 I C 2.108 178.214 176.117 -0.019 0.000 1.119 650 I CA 1.770 63.052 61.300 -0.030 0.000 1.417 650 I CB -2.229 35.738 38.000 -0.055 0.000 1.078 650 I HN 0.352 nan 8.210 nan 0.000 0.421 651 T N 2.350 116.901 114.554 -0.003 0.000 2.737 651 T HA 0.063 4.412 4.350 -0.000 0.000 0.265 651 T C 2.210 176.907 174.700 -0.004 0.000 1.038 651 T CA 1.786 63.891 62.100 0.007 0.000 1.144 651 T CB -0.560 68.323 68.868 0.025 0.000 0.866 651 T HN 0.518 nan 8.240 nan 0.000 0.434 652 A N 1.585 124.423 122.820 0.031 0.000 2.076 652 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 652 A C 2.536 180.119 177.584 -0.002 0.000 1.160 652 A CA 1.790 53.870 52.037 0.072 0.000 0.653 652 A CB -0.842 18.274 19.000 0.192 0.000 0.801 652 A HN 0.445 nan 8.150 nan 0.000 0.455 653 S N -0.406 115.271 115.700 -0.038 0.000 2.387 653 S HA -0.091 4.379 4.470 -0.000 0.000 0.226 653 S C 1.623 176.132 174.600 -0.150 0.000 1.026 653 S CA 1.169 59.324 58.200 -0.075 0.000 0.972 653 S CB -0.403 62.773 63.200 -0.039 0.000 0.814 653 S HN 0.471 nan 8.310 nan 0.000 0.477 654 I N 1.944 122.400 120.570 -0.191 0.000 2.381 654 I HA -0.159 4.011 4.170 -0.000 0.000 0.255 654 I C 0.478 176.402 176.117 -0.322 0.000 1.140 654 I CA 0.965 62.071 61.300 -0.324 0.000 1.404 654 I CB -0.705 37.065 38.000 -0.384 0.000 1.075 654 I HN 0.252 nan 8.210 nan 0.000 0.433 655 I N 2.799 123.207 120.570 -0.270 0.000 2.396 655 I HA 0.169 4.339 4.170 -0.000 0.000 0.289 655 I C -2.163 173.751 176.117 -0.338 0.000 1.056 655 I CA -1.791 59.305 61.300 -0.340 0.000 1.365 655 I CB -0.070 37.738 38.000 -0.319 0.000 1.407 655 I HN -0.101 nan 8.210 nan 0.000 0.509 656 P HA 0.130 nan 4.420 nan 0.000 0.287 656 P C -0.788 176.306 177.300 -0.343 0.000 1.281 656 P CA -0.095 62.690 63.100 -0.524 0.000 0.781 656 P CB 0.346 31.710 31.700 -0.561 0.000 0.903 657 Y N 1.643 121.878 120.300 -0.108 0.000 4.272 657 Y HA -0.195 4.354 4.550 -0.000 0.000 0.232 657 Y C -0.908 175.072 175.900 0.134 0.000 1.149 657 Y CA -0.023 58.081 58.100 0.006 0.000 1.961 657 Y CB -2.898 35.470 38.460 -0.154 0.000 1.611 657 Y HN 0.383 nan 8.280 nan 0.000 0.682 658 P HA -0.221 nan 4.420 nan 0.000 0.217 658 P C 0.542 177.935 177.300 0.156 0.000 1.148 658 P CA 2.194 65.339 63.100 0.074 0.000 0.828 658 P CB -0.087 31.599 31.700 -0.023 0.000 0.783 659 E N -0.286 120.038 120.200 0.207 0.000 3.603 659 E HA -0.122 4.228 4.350 -0.000 0.000 0.281 659 E C 0.636 177.280 176.600 0.074 0.000 1.407 659 E CA 0.630 57.126 56.400 0.159 0.000 1.463 659 E CB -1.337 28.465 29.700 0.170 0.000 1.211 659 E HN 0.483 nan 8.360 nan 0.000 0.440 660 H N -0.948 118.180 119.070 0.098 0.000 3.582 660 H HA 0.136 4.692 4.556 -0.000 0.000 0.251 660 H C -0.568 174.786 175.328 0.043 0.000 1.095 660 H CA -0.362 55.732 56.048 0.077 0.000 1.157 660 H CB 0.357 30.181 29.762 0.103 0.000 1.485 660 H HN 0.258 nan 8.280 nan 0.000 0.840 661 N N 1.258 120.029 118.700 0.119 0.000 2.272 661 N HA 0.163 4.903 4.740 -0.000 0.000 0.305 661 N C -0.456 175.035 175.510 -0.032 0.000 1.103 661 N CA -0.573 52.497 53.050 0.034 0.000 0.791 661 N CB 2.438 40.935 38.487 0.017 0.000 1.356 661 N HN 0.052 nan 8.380 nan 0.000 0.486 662 Q N 1.561 121.327 119.800 -0.056 0.000 2.247 662 Q HA -0.081 4.258 4.340 -0.000 0.000 0.288 662 Q C 1.056 176.973 176.000 -0.139 0.000 1.079 662 Q CA 0.249 56.005 55.803 -0.078 0.000 0.932 662 Q CB 0.473 29.160 28.738 -0.085 0.000 1.133 662 Q HN 0.760 nan 8.270 nan 0.000 0.377 663 S N 4.639 120.289 115.700 -0.083 0.000 2.337 663 S HA -0.256 4.214 4.470 -0.000 0.000 0.399 663 S C -1.048 173.417 174.600 -0.225 0.000 1.134 663 S CA 2.271 60.427 58.200 -0.074 0.000 2.090 663 S CB -1.307 61.919 63.200 0.043 0.000 1.665 663 S HN 0.867 nan 8.310 nan 0.000 0.502 664 P HA -0.005 nan 4.420 nan 0.000 0.222 664 P C 1.433 178.349 177.300 -0.639 0.000 1.147 664 P CA 1.062 63.955 63.100 -0.345 0.000 0.790 664 P CB -0.120 31.356 31.700 -0.372 0.000 0.780 665 R N -0.564 119.603 120.500 -0.556 0.000 2.120 665 R HA -0.040 4.300 4.340 -0.000 0.000 0.234 665 R C 1.703 177.818 176.300 -0.308 0.000 1.123 665 R CA 0.985 56.814 56.100 -0.451 0.000 0.975 665 R CB -1.438 28.708 30.300 -0.257 0.000 0.866 665 R HN 0.302 nan 8.270 nan 0.000 0.446 666 N N 0.050 118.483 118.700 -0.444 0.000 2.106 666 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 666 N C 1.707 177.021 175.510 -0.326 0.000 1.029 666 N CA 1.606 54.309 53.050 -0.579 0.000 0.848 666 N CB -0.679 36.964 38.487 -1.407 0.000 1.007 666 N HN 0.108 nan 8.380 nan 0.000 0.423 667 T N 1.419 115.840 114.554 -0.222 0.000 2.597 667 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 667 T C 1.607 176.426 174.700 0.197 0.000 1.053 667 T CA 1.429 63.580 62.100 0.084 0.000 1.165 667 T CB -0.501 68.467 68.868 0.168 0.000 0.863 667 T HN 0.179 nan 8.240 nan 0.000 0.427 668 Y N 1.587 121.862 120.300 -0.042 0.000 2.081 668 Y HA -0.191 4.359 4.550 -0.000 0.000 0.280 668 Y C 2.766 178.655 175.900 -0.019 0.000 1.163 668 Y CA 1.185 59.272 58.100 -0.020 0.000 1.135 668 Y CB -1.472 36.976 38.460 -0.020 0.000 0.970 668 Y HN 0.280 nan 8.280 nan 0.000 0.498 669 Q N 0.372 120.248 119.800 0.126 0.000 2.061 669 Q HA -0.154 4.185 4.340 -0.000 0.000 0.204 669 Q C 1.936 177.958 176.000 0.037 0.000 0.984 669 Q CA 2.409 58.238 55.803 0.043 0.000 0.846 669 Q CB -0.661 28.047 28.738 -0.050 0.000 0.902 669 Q HN 0.272 nan 8.270 nan 0.000 0.421 670 S N -0.348 115.374 115.700 0.038 0.000 2.641 670 S HA 0.057 4.527 4.470 -0.000 0.000 0.239 670 S C 1.158 175.795 174.600 0.062 0.000 0.972 670 S CA 0.543 58.776 58.200 0.056 0.000 0.954 670 S CB -0.252 63.006 63.200 0.096 0.000 0.767 670 S HN 0.571 nan 8.310 nan 0.000 0.539 671 A N 0.756 123.615 122.820 0.066 0.000 1.993 671 A HA 0.367 4.687 4.320 -0.000 0.000 0.202 671 A C 1.805 179.420 177.584 0.052 0.000 1.461 671 A CA 0.066 52.134 52.037 0.052 0.000 0.824 671 A CB -0.397 18.627 19.000 0.040 0.000 1.024 671 A HN 0.402 nan 8.150 nan 0.000 0.507 672 M N 0.453 120.092 119.600 0.064 0.000 2.213 672 M HA -0.064 4.416 4.480 -0.000 0.000 0.263 672 M C 2.282 178.620 176.300 0.064 0.000 1.062 672 M CA 1.308 56.652 55.300 0.072 0.000 1.105 672 M CB -0.251 32.398 32.600 0.081 0.000 1.385 672 M HN 0.496 nan 8.290 nan 0.000 0.417 673 A N 0.304 123.162 122.820 0.064 0.000 1.908 673 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 673 A C 2.033 179.659 177.584 0.071 0.000 1.181 673 A CA 1.809 53.902 52.037 0.092 0.000 0.627 673 A CB -0.513 18.536 19.000 0.081 0.000 0.818 673 A HN 0.409 nan 8.150 nan 0.000 0.445 674 K N -0.726 119.690 120.400 0.026 0.000 2.555 674 K HA 0.006 4.326 4.320 -0.000 0.000 0.193 674 K C 1.522 178.061 176.600 -0.101 0.000 1.032 674 K CA 0.870 57.139 56.287 -0.031 0.000 1.004 674 K CB 0.035 32.515 32.500 -0.034 0.000 0.804 674 K HN 0.607 nan 8.250 nan 0.000 0.496 675 Q N -0.646 119.116 119.800 -0.064 0.000 2.189 675 Q HA 0.268 4.608 4.340 -0.000 0.000 0.223 675 Q C -0.377 175.561 176.000 -0.104 0.000 0.828 675 Q CA -0.397 55.336 55.803 -0.117 0.000 0.967 675 Q CB 1.206 30.008 28.738 0.106 0.000 1.139 675 Q HN 0.214 nan 8.270 nan 0.000 0.497 676 A N 0.696 123.482 122.820 -0.058 0.000 2.313 676 A HA 0.492 4.812 4.320 -0.000 0.000 0.261 676 A C -0.540 176.982 177.584 -0.104 0.000 1.090 676 A CA -0.144 51.872 52.037 -0.035 0.000 0.807 676 A CB 0.407 19.453 19.000 0.078 0.000 1.055 676 A HN 0.313 nan 8.150 nan 0.000 0.492 677 L N 1.265 122.436 121.223 -0.086 0.000 2.333 677 L HA 0.662 5.002 4.340 -0.000 0.000 0.280 677 L C 0.689 177.554 176.870 -0.008 0.000 1.004 677 L CA -0.180 54.604 54.840 -0.092 0.000 0.820 677 L CB 1.674 43.671 42.059 -0.104 0.000 1.247 677 L HN 0.968 nan 8.230 nan 0.000 0.416 678 G N 2.435 111.234 108.800 -0.003 0.000 3.000 678 G HA2 0.433 4.393 3.960 -0.000 0.000 0.170 678 G HA3 0.433 4.393 3.960 -0.000 0.000 0.170 678 G C -1.789 173.092 174.900 -0.032 0.000 1.160 678 G CA -0.509 44.586 45.100 -0.008 0.000 0.945 678 G HN 0.316 nan 8.290 nan 0.000 0.593 679 L N 0.557 121.727 121.223 -0.089 0.000 2.322 679 L HA 0.664 5.004 4.340 -0.000 0.000 0.279 679 L C 0.504 177.333 176.870 -0.069 0.000 1.036 679 L CA -0.640 54.099 54.840 -0.168 0.000 0.807 679 L CB 1.691 43.601 42.059 -0.248 0.000 1.226 679 L HN 0.739 nan 8.230 nan 0.000 0.433 680 Y N 3.084 123.263 120.300 -0.201 0.000 2.467 680 Y HA 0.839 5.388 4.550 -0.000 0.000 0.259 680 Y C -0.013 175.865 175.900 -0.038 0.000 1.084 680 Y CA -0.029 58.023 58.100 -0.079 0.000 1.275 680 Y CB 0.135 38.557 38.460 -0.062 0.000 1.208 680 Y HN 0.675 nan 8.280 nan 0.000 0.511 681 A N 0.496 123.085 122.820 -0.385 0.000 2.560 681 A HA 0.663 4.983 4.320 -0.000 0.000 0.300 681 A C 0.529 177.961 177.584 -0.254 0.000 1.062 681 A CA -0.398 51.479 52.037 -0.266 0.000 0.767 681 A CB 0.240 19.143 19.000 -0.162 0.000 1.288 681 A HN 0.679 nan 8.150 nan 0.000 0.396 682 A N 1.710 124.408 122.820 -0.202 0.000 2.234 682 A HA -0.099 4.220 4.320 -0.000 0.000 0.216 682 A C 1.173 178.693 177.584 -0.106 0.000 1.167 682 A CA 1.938 53.890 52.037 -0.142 0.000 0.698 682 A CB -0.616 18.293 19.000 -0.151 0.000 0.779 682 A HN 1.313 nan 8.150 nan 0.000 0.475 683 N N -1.319 117.295 118.700 -0.143 0.000 2.200 683 N HA -0.034 4.706 4.740 -0.000 0.000 0.224 683 N C 0.892 176.220 175.510 -0.304 0.000 1.179 683 N CA 0.281 53.212 53.050 -0.198 0.000 0.877 683 N CB -1.041 37.356 38.487 -0.150 0.000 1.072 683 N HN 0.638 nan 8.380 nan 0.000 0.519 684 Y N -0.191 119.840 120.300 -0.448 0.000 2.723 684 Y HA -0.128 4.421 4.550 -0.000 0.000 0.286 684 Y C 1.990 177.641 175.900 -0.415 0.000 1.159 684 Y CA 0.720 58.466 58.100 -0.590 0.000 1.442 684 Y CB -0.368 37.529 38.460 -0.938 0.000 0.959 684 Y HN 0.016 nan 8.280 nan 0.000 0.581 685 Q N 1.205 120.414 119.800 -0.984 0.000 1.969 685 Q HA -0.004 4.335 4.340 -0.000 0.000 0.198 685 Q C 1.566 177.323 176.000 -0.405 0.000 0.978 685 Q CA 1.967 57.285 55.803 -0.809 0.000 0.830 685 Q CB -0.276 28.071 28.738 -0.650 0.000 0.896 685 Q HN 0.604 nan 8.270 nan 0.000 0.431 686 L N 0.386 121.438 121.223 -0.286 0.000 2.627 686 L HA 0.172 4.512 4.340 -0.000 0.000 0.233 686 L C 0.279 177.067 176.870 -0.137 0.000 1.144 686 L CA 0.339 55.077 54.840 -0.170 0.000 0.892 686 L CB -0.569 41.414 42.059 -0.126 0.000 1.039 686 L HN -0.100 nan 8.230 nan 0.000 0.442 687 R N 0.568 120.965 120.500 -0.172 0.000 2.490 687 R HA 0.302 4.642 4.340 -0.000 0.000 0.280 687 R C 0.439 176.697 176.300 -0.069 0.000 1.077 687 R CA 0.165 56.206 56.100 -0.098 0.000 1.065 687 R CB 0.742 30.993 30.300 -0.081 0.000 1.003 687 R HN 0.013 nan 8.270 nan 0.000 0.470 688 T N 2.707 117.246 114.554 -0.025 0.000 3.401 688 T HA 0.214 4.564 4.350 -0.000 0.000 0.341 688 T C -0.961 173.739 174.700 0.001 0.000 1.674 688 T CA -0.743 61.352 62.100 -0.008 0.000 1.600 688 T CB -0.276 68.593 68.868 0.002 0.000 0.974 688 T HN 0.410 nan 8.240 nan 0.000 0.672 689 D N 1.622 122.021 120.400 -0.002 0.000 2.442 689 D HA 0.463 5.102 4.640 -0.000 0.000 0.254 689 D C 0.210 176.479 176.300 -0.051 0.000 1.069 689 D CA -0.439 53.548 54.000 -0.022 0.000 1.017 689 D CB 1.308 42.096 40.800 -0.021 0.000 1.172 689 D HN 0.336 nan 8.370 nan 0.000 0.561 690 T N -0.495 114.011 114.554 -0.081 0.000 2.902 690 T HA 0.346 4.696 4.350 -0.000 0.000 0.280 690 T C -0.135 174.452 174.700 -0.189 0.000 0.992 690 T CA -0.863 61.172 62.100 -0.108 0.000 1.015 690 T CB 0.313 69.132 68.868 -0.082 0.000 1.044 690 T HN 0.380 nan 8.240 nan 0.000 0.520 691 R N -0.271 120.067 120.500 -0.271 0.000 2.403 691 R HA 0.030 4.370 4.340 -0.000 0.000 0.261 691 R C -0.274 175.714 176.300 -0.519 0.000 0.941 691 R CA 0.340 56.137 56.100 -0.505 0.000 0.821 691 R CB -2.028 28.237 30.300 -0.059 0.000 2.135 691 R HN 0.783 nan 8.270 nan 0.000 0.532 692 A N 2.130 124.543 122.820 -0.678 0.000 2.530 692 A HA 0.819 5.139 4.320 -0.000 0.000 0.288 692 A C -0.952 176.407 177.584 -0.375 0.000 1.172 692 A CA -0.836 50.946 52.037 -0.425 0.000 0.733 692 A CB 1.486 20.277 19.000 -0.348 0.000 1.320 692 A HN 0.554 nan 8.150 nan 0.000 0.419 693 H N -0.127 118.940 119.070 -0.005 0.000 2.851 693 H HA 0.563 5.119 4.556 -0.000 0.000 0.372 693 H C -1.694 173.770 175.328 0.226 0.000 1.158 693 H CA -0.619 55.523 56.048 0.156 0.000 1.159 693 H CB 2.077 31.858 29.762 0.031 0.000 1.757 693 H HN 0.514 nan 8.280 nan 0.000 0.546 694 L N 3.781 125.212 121.223 0.348 0.000 2.438 694 L HA 0.245 4.585 4.340 -0.000 0.000 0.270 694 L C -1.370 175.574 176.870 0.123 0.000 0.972 694 L CA -0.869 54.038 54.840 0.113 0.000 0.831 694 L CB 1.798 43.851 42.059 -0.010 0.000 1.273 694 L HN 0.418 nan 8.230 nan 0.000 0.405 695 L N 4.966 126.222 121.223 0.055 0.000 2.360 695 L HA 0.275 4.615 4.340 -0.000 0.000 0.276 695 L C 1.212 178.139 176.870 0.095 0.000 1.121 695 L CA 0.569 55.444 54.840 0.057 0.000 0.845 695 L CB 0.523 42.610 42.059 0.048 0.000 1.143 695 L HN 0.683 nan 8.230 nan 0.000 0.452 696 H N 4.308 123.384 119.070 0.009 0.000 2.321 696 H HA -0.097 4.459 4.556 -0.000 0.000 0.300 696 H C -0.409 174.703 175.328 -0.360 0.000 1.087 696 H CA 1.614 57.590 56.048 -0.120 0.000 1.319 696 H CB 0.088 29.870 29.762 0.032 0.000 1.379 696 H HN 0.523 nan 8.280 nan 0.000 0.501 697 Y N 0.094 120.461 120.300 0.112 0.000 2.349 697 Y HA 0.292 4.842 4.550 -0.000 0.000 0.324 697 Y C -2.362 173.531 175.900 -0.012 0.000 1.005 697 Y CA -2.701 55.419 58.100 0.033 0.000 1.240 697 Y CB 1.462 39.931 38.460 0.014 0.000 1.117 697 Y HN 0.020 nan 8.280 nan 0.000 0.463 698 P HA 0.307 nan 4.420 nan 0.000 0.276 698 P C -1.050 176.310 177.300 0.099 0.000 1.261 698 P CA -0.607 62.535 63.100 0.071 0.000 0.800 698 P CB 0.891 32.608 31.700 0.029 0.000 1.066 699 Q N 0.122 120.008 119.800 0.143 0.000 2.268 699 Q HA 0.278 4.618 4.340 -0.000 0.000 0.266 699 Q C -0.672 175.469 176.000 0.234 0.000 1.006 699 Q CA -0.867 55.038 55.803 0.170 0.000 0.824 699 Q CB 2.642 31.477 28.738 0.161 0.000 1.306 699 Q HN 0.323 nan 8.270 nan 0.000 0.424 700 R N 3.042 123.628 120.500 0.143 0.000 2.504 700 R HA 0.029 4.369 4.340 -0.000 0.000 0.291 700 R C -2.208 174.145 176.300 0.087 0.000 0.974 700 R CA -0.459 55.704 56.100 0.106 0.000 1.077 700 R CB 0.262 30.597 30.300 0.058 0.000 0.926 700 R HN 0.169 nan 8.270 nan 0.000 0.407 701 P HA 0.008 nan 4.420 nan 0.000 0.267 701 P C -0.652 176.552 177.300 -0.160 0.000 1.328 701 P CA 0.046 62.953 63.100 -0.322 0.000 0.990 701 P CB 0.395 31.623 31.700 -0.785 0.000 1.168 702 L N 4.476 125.685 121.223 -0.024 0.000 2.490 702 L HA 0.016 4.356 4.340 -0.000 0.000 0.274 702 L C 0.056 176.904 176.870 -0.035 0.000 1.201 702 L CA 0.349 55.182 54.840 -0.013 0.000 0.869 702 L CB 0.173 42.251 42.059 0.032 0.000 1.123 702 L HN 0.198 nan 8.230 nan 0.000 0.484 703 V N 3.300 123.186 119.914 -0.047 0.000 3.699 703 V HA -0.232 3.888 4.120 -0.000 0.000 0.464 703 V C -0.051 175.935 176.094 -0.180 0.000 0.681 703 V CA 0.865 63.120 62.300 -0.074 0.000 1.940 703 V CB -1.745 30.081 31.823 0.004 0.000 2.368 703 V HN 0.969 nan 8.190 nan 0.000 0.496 704 Q N 2.677 122.354 119.800 -0.206 0.000 2.668 704 Q HA 0.902 5.242 4.340 -0.000 0.000 0.298 704 Q C -0.187 175.653 176.000 -0.267 0.000 1.071 704 Q CA -0.621 55.033 55.803 -0.248 0.000 0.789 704 Q CB 2.244 30.872 28.738 -0.184 0.000 1.497 704 Q HN 0.512 nan 8.270 nan 0.000 0.460 705 T N -0.582 113.826 114.554 -0.244 0.000 2.888 705 T HA 0.333 4.683 4.350 -0.000 0.000 0.283 705 T C 0.583 175.197 174.700 -0.142 0.000 1.013 705 T CA -0.733 61.242 62.100 -0.207 0.000 0.938 705 T CB 1.008 69.771 68.868 -0.175 0.000 1.298 705 T HN 0.619 nan 8.240 nan 0.000 0.580 706 R N -0.587 119.851 120.500 -0.104 0.000 2.206 706 R HA 0.276 4.616 4.340 -0.000 0.000 0.198 706 R C 2.332 178.646 176.300 0.023 0.000 0.986 706 R CA 0.527 56.539 56.100 -0.146 0.000 1.029 706 R CB -0.380 29.618 30.300 -0.503 0.000 0.966 706 R HN 0.687 nan 8.270 nan 0.000 0.487 707 A N 0.947 123.839 122.820 0.121 0.000 2.067 707 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 707 A C 1.689 179.299 177.584 0.044 0.000 1.158 707 A CA 0.569 52.683 52.037 0.129 0.000 0.661 707 A CB -0.334 18.749 19.000 0.137 0.000 0.801 707 A HN 0.260 nan 8.150 nan 0.000 0.452 708 L N -0.173 121.053 121.223 0.004 0.000 2.834 708 L HA -0.113 4.227 4.340 -0.000 0.000 0.252 708 L C 0.952 177.867 176.870 0.076 0.000 1.152 708 L CA 2.023 56.862 54.840 -0.001 0.000 0.898 708 L CB -0.968 41.028 42.059 -0.105 0.000 1.078 708 L HN 0.570 nan 8.230 nan 0.000 0.439 709 D N -1.167 119.285 120.400 0.087 0.000 3.050 709 D HA -0.025 4.614 4.640 -0.000 0.000 0.281 709 D C 1.840 178.201 176.300 0.101 0.000 1.246 709 D CA 0.039 54.103 54.000 0.107 0.000 1.073 709 D CB 0.289 41.157 40.800 0.114 0.000 1.382 709 D HN 0.148 nan 8.370 nan 0.000 0.433 710 I N 0.407 121.015 120.570 0.064 0.000 3.646 710 I HA 0.147 4.317 4.170 -0.000 0.000 0.301 710 I C 1.184 177.268 176.117 -0.054 0.000 1.276 710 I CA 0.632 61.929 61.300 -0.005 0.000 1.254 710 I CB -1.036 36.913 38.000 -0.084 0.000 1.020 710 I HN 0.194 nan 8.210 nan 0.000 0.473 711 I N 1.861 122.424 120.570 -0.011 0.000 2.852 711 I HA 0.115 4.285 4.170 -0.000 0.000 0.264 711 I C 1.930 178.107 176.117 0.100 0.000 1.179 711 I CA 1.130 62.416 61.300 -0.023 0.000 1.480 711 I CB -0.297 37.706 38.000 0.005 0.000 1.111 711 I HN 0.485 nan 8.210 nan 0.000 0.441 712 G N 0.154 109.121 108.800 0.279 0.000 2.175 712 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.244 712 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.244 712 G C 0.770 175.986 174.900 0.526 0.000 0.982 712 G CA 0.313 45.734 45.100 0.536 0.000 0.641 712 G HN 0.319 nan 8.290 nan 0.000 0.527 713 Y N 2.164 122.638 120.300 0.291 0.000 2.069 713 Y HA -0.270 4.280 4.550 -0.000 0.000 0.278 713 Y C 3.243 179.211 175.900 0.113 0.000 1.175 713 Y CA 3.639 61.860 58.100 0.200 0.000 1.134 713 Y CB -0.347 38.158 38.460 0.075 0.000 0.965 713 Y HN 0.460 nan 8.280 nan 0.000 0.498 714 T N -1.555 113.158 114.554 0.265 0.000 2.849 714 T HA -0.256 4.093 4.350 -0.000 0.000 0.270 714 T C 1.674 176.407 174.700 0.055 0.000 1.066 714 T CA 1.603 63.790 62.100 0.145 0.000 1.130 714 T CB -0.629 68.299 68.868 0.100 0.000 0.864 714 T HN 0.540 nan 8.240 nan 0.000 0.481 715 N N 0.963 119.671 118.700 0.012 0.000 2.333 715 N HA -0.015 4.725 4.740 -0.000 0.000 0.178 715 N C 0.098 175.498 175.510 -0.184 0.000 1.018 715 N CA 0.335 53.328 53.050 -0.095 0.000 0.882 715 N CB 0.261 38.658 38.487 -0.149 0.000 0.984 715 N HN 0.335 nan 8.380 nan 0.000 0.434 716 R N 0.648 121.018 120.500 -0.217 0.000 2.721 716 R HA 0.335 4.675 4.340 -0.000 0.000 0.272 716 R C -2.626 173.501 176.300 -0.289 0.000 1.721 716 R CA -1.329 54.607 56.100 -0.274 0.000 1.325 716 R CB 2.012 32.022 30.300 -0.484 0.000 1.271 716 R HN 0.178 nan 8.270 nan 0.000 0.556 717 P HA 0.361 nan 4.420 nan 0.000 0.317 717 P C -0.316 176.939 177.300 -0.075 0.000 1.307 717 P CA -0.503 62.483 63.100 -0.190 0.000 0.749 717 P CB 1.045 32.891 31.700 0.244 0.000 1.377 718 A N -1.973 120.961 122.820 0.191 0.000 2.596 718 A HA 0.612 4.932 4.320 -0.000 0.000 0.276 718 A C 0.255 177.940 177.584 0.169 0.000 0.962 718 A CA 0.403 52.531 52.037 0.152 0.000 1.010 718 A CB -0.337 18.743 19.000 0.133 0.000 1.220 718 A HN 0.701 nan 8.150 nan 0.000 0.549 719 G N -0.256 108.629 108.800 0.143 0.000 2.667 719 G HA2 0.450 4.410 3.960 -0.000 0.000 0.294 719 G HA3 0.450 4.410 3.960 -0.000 0.000 0.294 719 G C -1.349 173.358 174.900 -0.321 0.000 1.467 719 G CA -0.642 44.305 45.100 -0.254 0.000 0.852 719 G HN 0.175 nan 8.290 nan 0.000 0.521 720 N N 0.320 118.849 118.700 -0.285 0.000 2.463 720 N HA 0.190 4.930 4.740 -0.000 0.000 0.270 720 N C -0.559 174.945 175.510 -0.010 0.000 1.205 720 N CA -0.717 52.229 53.050 -0.172 0.000 0.974 720 N CB 0.990 39.232 38.487 -0.407 0.000 1.197 720 N HN 0.281 nan 8.380 nan 0.000 0.504 721 N N 1.183 119.967 118.700 0.140 0.000 3.034 721 N HA 0.141 4.881 4.740 -0.000 0.000 0.265 721 N C -0.765 174.834 175.510 0.147 0.000 1.166 721 N CA -0.114 53.067 53.050 0.219 0.000 1.081 721 N CB 0.522 39.138 38.487 0.215 0.000 1.378 721 N HN 0.495 nan 8.380 nan 0.000 0.520 722 A N 2.080 125.013 122.820 0.188 0.000 2.462 722 A HA 0.183 4.503 4.320 -0.000 0.000 0.243 722 A C 0.740 178.386 177.584 0.104 0.000 1.076 722 A CA -0.267 51.863 52.037 0.156 0.000 0.773 722 A CB 0.318 19.460 19.000 0.238 0.000 1.010 722 A HN 0.435 nan 8.150 nan 0.000 0.493 723 I N 3.359 123.950 120.570 0.036 0.000 2.453 723 I HA 0.018 4.188 4.170 -0.000 0.000 0.300 723 I C 0.147 176.200 176.117 -0.107 0.000 1.159 723 I CA 0.355 61.644 61.300 -0.018 0.000 1.379 723 I CB -1.044 36.953 38.000 -0.005 0.000 1.460 723 I HN 0.540 nan 8.210 nan 0.000 0.601 724 L N 6.298 127.483 121.223 -0.063 0.000 2.305 724 L HA 0.653 4.992 4.340 -0.000 0.000 0.281 724 L C 0.151 176.886 176.870 -0.224 0.000 1.085 724 L CA 0.120 54.920 54.840 -0.067 0.000 0.813 724 L CB 1.197 43.337 42.059 0.135 0.000 1.157 724 L HN 0.584 nan 8.230 nan 0.000 0.436 725 A N 5.281 127.904 122.820 -0.328 0.000 2.310 725 A HA 0.611 4.931 4.320 -0.000 0.000 0.304 725 A C -0.880 176.641 177.584 -0.105 0.000 1.231 725 A CA -0.588 51.181 52.037 -0.446 0.000 0.799 725 A CB 1.046 19.487 19.000 -0.932 0.000 1.162 725 A HN 0.517 nan 8.150 nan 0.000 0.486 726 V N 4.532 124.511 119.914 0.109 0.000 2.313 726 V HA 0.443 4.563 4.120 -0.000 0.000 0.252 726 V C 0.209 176.340 176.094 0.061 0.000 1.112 726 V CA 0.464 62.789 62.300 0.042 0.000 0.984 726 V CB -0.708 31.055 31.823 -0.101 0.000 1.157 726 V HN 0.963 nan 8.190 nan 0.000 0.493 727 M N 3.489 123.117 119.600 0.046 0.000 2.569 727 M HA 0.740 5.220 4.480 -0.000 0.000 0.279 727 M C -0.457 175.915 176.300 0.119 0.000 1.253 727 M CA -0.466 54.890 55.300 0.093 0.000 0.867 727 M CB 2.555 35.240 32.600 0.141 0.000 1.727 727 M HN 0.287 nan 8.290 nan 0.000 0.467 728 S N 1.397 117.184 115.700 0.146 0.000 2.562 728 S HA 0.833 5.302 4.470 -0.000 0.000 0.275 728 S C -0.902 173.857 174.600 0.265 0.000 1.281 728 S CA -0.476 57.834 58.200 0.183 0.000 1.045 728 S CB 0.783 64.084 63.200 0.168 0.000 0.962 728 S HN 0.740 nan 8.310 nan 0.000 0.503 729 F N 1.171 121.157 119.950 0.060 0.000 2.704 729 F HA 0.326 4.853 4.527 -0.000 0.000 0.312 729 F C 0.851 176.706 175.800 0.090 0.000 1.108 729 F CA 0.257 58.294 58.000 0.063 0.000 1.005 729 F CB 0.836 39.870 39.000 0.056 0.000 1.277 729 F HN 1.012 nan 8.300 nan 0.000 0.445 730 T N 0.550 115.070 114.554 -0.057 0.000 9.171 730 T HA -0.297 4.053 4.350 -0.000 0.000 0.403 730 T C 1.570 176.348 174.700 0.130 0.000 1.560 730 T CA 1.840 64.023 62.100 0.137 0.000 2.507 730 T CB -2.337 66.827 68.868 0.493 0.000 2.939 730 T HN 2.579 nan 8.240 nan 0.000 1.240 731 G N -0.007 108.841 108.800 0.080 0.000 2.166 731 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.260 731 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.260 731 G C 0.371 175.211 174.900 -0.100 0.000 0.986 731 G CA 0.786 45.863 45.100 -0.039 0.000 0.683 731 G HN 0.781 nan 8.290 nan 0.000 0.527 732 Y N 0.678 120.999 120.300 0.036 0.000 2.511 732 Y HA 0.109 4.659 4.550 -0.000 0.000 0.279 732 Y C 2.149 178.053 175.900 0.007 0.000 1.157 732 Y CA 1.108 59.219 58.100 0.019 0.000 1.300 732 Y CB 0.265 38.739 38.460 0.024 0.000 1.052 732 Y HN 0.498 nan 8.280 nan 0.000 0.529 733 N N -0.840 117.942 118.700 0.137 0.000 2.214 733 N HA 0.072 4.812 4.740 -0.000 0.000 0.214 733 N C -0.045 175.493 175.510 0.048 0.000 1.132 733 N CA 0.019 53.114 53.050 0.074 0.000 0.856 733 N CB -0.369 38.152 38.487 0.056 0.000 1.020 733 N HN 0.154 nan 8.380 nan 0.000 0.509 734 M N 1.190 120.805 119.600 0.025 0.000 2.252 734 M HA 0.025 4.505 4.480 -0.000 0.000 0.333 734 M C -0.205 176.092 176.300 -0.006 0.000 1.111 734 M CA 0.604 55.901 55.300 -0.005 0.000 1.140 734 M CB 0.257 32.822 32.600 -0.058 0.000 1.538 734 M HN 0.060 nan 8.290 nan 0.000 0.448 735 E N 2.030 122.226 120.200 -0.006 0.000 4.675 735 E HA -0.161 4.189 4.350 -0.000 0.000 0.163 735 E C -1.102 175.511 176.600 0.021 0.000 1.720 735 E CA 0.368 56.770 56.400 0.002 0.000 1.052 735 E CB -1.684 28.008 29.700 -0.013 0.000 1.047 735 E HN 0.773 nan 8.360 nan 0.000 0.344 736 D N 0.562 120.985 120.400 0.037 0.000 6.046 736 D HA -0.122 4.517 4.640 -0.000 0.000 0.178 736 D C -0.006 176.320 176.300 0.043 0.000 1.205 736 D CA 1.845 55.875 54.000 0.050 0.000 0.863 736 D CB -0.176 40.659 40.800 0.058 0.000 1.299 736 D HN 0.387 nan 8.370 nan 0.000 0.724 737 S N 0.522 116.245 115.700 0.038 0.000 2.643 737 S HA 0.756 5.225 4.470 -0.000 0.000 0.270 737 S C -2.001 172.598 174.600 -0.001 0.000 1.166 737 S CA -0.998 57.216 58.200 0.022 0.000 0.815 737 S CB 1.414 64.628 63.200 0.022 0.000 1.139 737 S HN 0.240 nan 8.310 nan 0.000 0.472 738 I N 2.145 122.690 120.570 -0.041 0.000 2.656 738 I HA 0.654 4.824 4.170 -0.000 0.000 0.292 738 I C -1.717 174.316 176.117 -0.141 0.000 1.144 738 I CA -0.920 60.303 61.300 -0.128 0.000 1.038 738 I CB 1.816 39.679 38.000 -0.230 0.000 1.244 738 I HN 0.707 nan 8.210 nan 0.000 0.420 739 I N 8.470 128.948 120.570 -0.153 0.000 2.390 739 I HA 0.416 4.586 4.170 -0.000 0.000 0.283 739 I C -1.284 174.704 176.117 -0.216 0.000 1.016 739 I CA -0.577 60.640 61.300 -0.140 0.000 1.151 739 I CB 1.149 39.124 38.000 -0.041 0.000 1.293 739 I HN 0.766 nan 8.210 nan 0.000 0.458 740 M N 7.495 126.941 119.600 -0.257 0.000 2.367 740 M HA 0.292 4.772 4.480 -0.000 0.000 0.339 740 M C 0.137 176.331 176.300 -0.176 0.000 1.177 740 M CA -0.365 54.774 55.300 -0.268 0.000 1.068 740 M CB 0.911 33.289 32.600 -0.369 0.000 1.602 740 M HN 0.631 nan 8.290 nan 0.000 0.457 741 N N 2.807 121.426 118.700 -0.136 0.000 2.508 741 N HA 0.016 4.756 4.740 -0.000 0.000 0.264 741 N C 0.303 175.772 175.510 -0.068 0.000 1.216 741 N CA 0.366 53.361 53.050 -0.092 0.000 0.943 741 N CB 0.904 39.349 38.487 -0.070 0.000 1.113 741 N HN 0.861 nan 8.380 nan 0.000 0.447 742 R N 1.824 122.292 120.500 -0.054 0.000 2.148 742 R HA 0.060 4.399 4.340 -0.000 0.000 0.223 742 R C 1.200 177.487 176.300 -0.021 0.000 1.088 742 R CA 1.225 57.301 56.100 -0.039 0.000 0.985 742 R CB 0.046 30.325 30.300 -0.036 0.000 0.880 742 R HN 0.592 nan 8.270 nan 0.000 0.451 743 S N -0.715 114.974 115.700 -0.018 0.000 2.475 743 S HA 0.072 4.541 4.470 -0.000 0.000 0.224 743 S C 1.675 176.268 174.600 -0.011 0.000 1.042 743 S CA 0.482 58.675 58.200 -0.012 0.000 0.935 743 S CB 0.367 63.561 63.200 -0.011 0.000 0.801 743 S HN 0.283 nan 8.310 nan 0.000 0.509 744 S N 1.509 117.201 115.700 -0.013 0.000 2.383 744 S HA -0.093 4.377 4.470 -0.000 0.000 0.229 744 S C 1.947 176.552 174.600 0.009 0.000 1.030 744 S CA 1.058 59.252 58.200 -0.010 0.000 1.002 744 S CB -0.340 62.857 63.200 -0.005 0.000 0.829 744 S HN 0.296 nan 8.310 nan 0.000 0.467 745 V N 1.595 121.521 119.914 0.020 0.000 2.261 745 V HA -0.164 3.955 4.120 -0.000 0.000 0.246 745 V C 2.164 178.280 176.094 0.037 0.000 1.047 745 V CA 1.685 64.012 62.300 0.045 0.000 1.015 745 V CB -0.561 31.277 31.823 0.026 0.000 0.642 745 V HN 0.495 nan 8.190 nan 0.000 0.446 746 E N -0.535 119.676 120.200 0.017 0.000 2.409 746 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 746 E C 2.151 178.759 176.600 0.012 0.000 1.024 746 E CA 0.537 56.948 56.400 0.018 0.000 0.861 746 E CB -0.028 29.676 29.700 0.007 0.000 0.788 746 E HN 0.519 nan 8.360 nan 0.000 0.521 747 R N -1.391 119.106 120.500 -0.004 0.000 2.312 747 R HA 0.129 4.469 4.340 -0.000 0.000 0.205 747 R C 1.224 177.488 176.300 -0.060 0.000 0.904 747 R CA 0.539 56.619 56.100 -0.033 0.000 1.052 747 R CB 1.062 31.329 30.300 -0.056 0.000 1.014 747 R HN 0.196 nan 8.270 nan 0.000 0.503 748 G N 0.264 109.059 108.800 -0.007 0.000 2.624 748 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.190 748 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.190 748 G C 0.129 175.073 174.900 0.073 0.000 1.008 748 G CA -0.464 44.657 45.100 0.036 0.000 0.731 748 G HN 0.166 nan 8.290 nan 0.000 0.478 749 M N 1.320 120.926 119.600 0.010 0.000 2.408 749 M HA 0.343 4.823 4.480 -0.000 0.000 0.363 749 M C 0.991 177.383 176.300 0.153 0.000 1.636 749 M CA 0.955 56.248 55.300 -0.012 0.000 1.029 749 M CB -0.383 32.215 32.600 -0.004 0.000 2.068 749 M HN 0.555 nan 8.290 nan 0.000 0.466 750 Y N 0.691 121.074 120.300 0.138 0.000 4.881 750 Y HA -0.325 4.225 4.550 -0.000 0.000 0.241 750 Y C 0.337 176.284 175.900 0.079 0.000 0.985 750 Y CA 0.400 58.586 58.100 0.144 0.000 1.976 750 Y CB -1.501 37.130 38.460 0.285 0.000 1.528 750 Y HN 0.626 nan 8.280 nan 0.000 0.581 751 R N 1.475 122.073 120.500 0.164 0.000 2.522 751 R HA 0.306 4.646 4.340 -0.000 0.000 0.284 751 R C 0.750 176.833 176.300 -0.362 0.000 1.032 751 R CA 0.660 56.741 56.100 -0.031 0.000 1.049 751 R CB 0.754 31.105 30.300 0.085 0.000 0.956 751 R HN 0.337 nan 8.270 nan 0.000 0.422 752 S N 1.239 116.686 115.700 -0.420 0.000 2.786 752 S HA 0.595 5.064 4.470 -0.000 0.000 0.302 752 S C -0.376 173.958 174.600 -0.444 0.000 1.080 752 S CA -0.622 57.352 58.200 -0.376 0.000 0.925 752 S CB 2.171 65.353 63.200 -0.030 0.000 1.325 752 S HN 0.431 nan 8.310 nan 0.000 0.576 753 T N 0.951 115.462 114.554 -0.072 0.000 2.982 753 T HA 0.497 4.847 4.350 -0.000 0.000 0.321 753 T C -1.857 172.752 174.700 -0.152 0.000 1.229 753 T CA -0.355 61.691 62.100 -0.090 0.000 1.044 753 T CB 1.041 69.865 68.868 -0.074 0.000 1.184 753 T HN 0.530 nan 8.240 nan 0.000 0.477 754 F N 2.796 122.506 119.950 -0.399 0.000 2.422 754 F HA 0.767 5.294 4.527 -0.000 0.000 0.333 754 F C -1.482 173.978 175.800 -0.567 0.000 1.095 754 F CA -1.108 56.651 58.000 -0.400 0.000 1.038 754 F CB 0.734 39.578 39.000 -0.261 0.000 1.156 754 F HN 0.469 nan 8.300 nan 0.000 0.483 755 F N 5.558 125.109 119.950 -0.664 0.000 2.499 755 F HA 0.517 5.044 4.527 -0.000 0.000 0.333 755 F C -0.023 175.478 175.800 -0.498 0.000 1.138 755 F CA -0.700 57.096 58.000 -0.340 0.000 0.945 755 F CB 1.504 40.399 39.000 -0.176 0.000 1.181 755 F HN 0.399 nan 8.300 nan 0.000 0.435 756 R N 2.700 123.211 120.500 0.018 0.000 2.782 756 R HA 0.808 5.147 4.340 -0.000 0.000 0.258 756 R C -1.801 174.518 176.300 0.031 0.000 1.055 756 R CA -0.823 55.282 56.100 0.008 0.000 1.065 756 R CB 1.641 32.013 30.300 0.121 0.000 1.172 756 R HN 0.788 nan 8.270 nan 0.000 0.510 757 L N 2.772 123.926 121.223 -0.115 0.000 2.438 757 L HA 0.491 4.831 4.340 -0.000 0.000 0.270 757 L C -1.747 175.031 176.870 -0.154 0.000 0.972 757 L CA -0.760 54.068 54.840 -0.020 0.000 0.831 757 L CB 1.529 43.581 42.059 -0.011 0.000 1.273 757 L HN 0.699 nan 8.230 nan 0.000 0.405 758 Y N 1.998 122.326 120.300 0.046 0.000 2.549 758 Y HA 0.789 5.339 4.550 -0.000 0.000 0.339 758 Y C 0.208 176.128 175.900 0.035 0.000 1.053 758 Y CA -0.645 57.480 58.100 0.041 0.000 1.105 758 Y CB 2.315 40.798 38.460 0.040 0.000 1.258 758 Y HN 0.574 nan 8.280 nan 0.000 0.478 759 S N -0.630 115.187 115.700 0.195 0.000 2.735 759 S HA 0.624 5.094 4.470 -0.000 0.000 0.279 759 S C -1.188 173.465 174.600 0.088 0.000 0.989 759 S CA -0.668 57.604 58.200 0.121 0.000 0.883 759 S CB 0.785 64.040 63.200 0.091 0.000 1.117 759 S HN 1.090 nan 8.310 nan 0.000 0.458 760 T N -0.566 114.030 114.554 0.070 0.000 2.787 760 T HA 0.819 5.169 4.350 -0.000 0.000 0.297 760 T C -0.938 173.790 174.700 0.046 0.000 1.221 760 T CA -0.979 61.155 62.100 0.056 0.000 1.006 760 T CB 1.577 70.478 68.868 0.055 0.000 1.328 760 T HN 0.834 nan 8.240 nan 0.000 0.509 761 E N -0.089 120.136 120.200 0.041 0.000 2.405 761 E HA 0.477 4.827 4.350 -0.000 0.000 0.249 761 E C 0.709 177.330 176.600 0.036 0.000 1.028 761 E CA -0.854 55.568 56.400 0.036 0.000 0.897 761 E CB 1.635 31.355 29.700 0.033 0.000 1.262 761 E HN 0.799 nan 8.360 nan 0.000 0.442 762 E N -0.127 120.092 120.200 0.032 0.000 2.099 762 E HA 0.044 4.393 4.350 -0.000 0.000 0.191 762 E C 0.058 176.682 176.600 0.040 0.000 0.962 762 E CA 0.038 56.458 56.400 0.033 0.000 0.826 762 E CB 0.545 30.261 29.700 0.026 0.000 0.788 762 E HN 0.103 nan 8.360 nan 0.000 0.461 763 V N 2.979 122.916 119.914 0.039 0.000 2.441 763 V HA -0.108 4.012 4.120 -0.000 0.000 0.279 763 V C 0.495 176.627 176.094 0.063 0.000 0.990 763 V CA 1.251 63.580 62.300 0.048 0.000 1.116 763 V CB 0.156 32.001 31.823 0.037 0.000 0.977 763 V HN 0.209 nan 8.190 nan 0.000 0.470 764 K N 4.122 124.577 120.400 0.092 0.000 2.399 764 K HA 0.317 4.637 4.320 -0.000 0.000 0.204 764 K C -0.708 176.048 176.600 0.260 0.000 1.023 764 K CA -0.040 56.324 56.287 0.128 0.000 1.127 764 K CB 0.565 33.124 32.500 0.098 0.000 0.856 764 K HN 0.606 nan 8.250 nan 0.000 0.514 765 Y N 0.226 120.530 120.300 0.006 0.000 2.620 765 Y HA 0.197 4.747 4.550 -0.000 0.000 0.331 765 Y C -2.708 173.193 175.900 0.003 0.000 1.173 765 Y CA -2.477 55.626 58.100 0.004 0.000 1.076 765 Y CB 1.528 39.991 38.460 0.004 0.000 1.336 765 Y HN -0.121 nan 8.280 nan 0.000 0.459 766 P HA 0.411 nan 4.420 nan 0.000 0.278 766 P C 0.525 177.800 177.300 -0.041 0.000 1.266 766 P CA 0.972 63.982 63.100 -0.152 0.000 0.807 766 P CB 1.396 32.939 31.700 -0.263 0.000 1.094 767 G N 0.470 109.257 108.800 -0.022 0.000 5.059 767 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.336 767 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.336 767 G C 0.451 175.376 174.900 0.042 0.000 1.364 767 G CA 0.461 45.566 45.100 0.009 0.000 1.020 767 G HN 0.944 nan 8.290 nan 0.000 0.807 768 G N -2.535 106.315 108.800 0.083 0.000 2.932 768 G HA2 0.708 4.668 3.960 -0.000 0.000 0.283 768 G HA3 0.708 4.668 3.960 -0.000 0.000 0.283 768 G C 0.077 175.058 174.900 0.134 0.000 1.336 768 G CA 1.121 46.273 45.100 0.086 0.000 1.056 768 G HN 1.348 nan 8.290 nan 0.000 0.522 769 Q N -1.209 118.642 119.800 0.086 0.000 1.272 769 Q HA -0.219 4.121 4.340 -0.000 0.000 0.289 769 Q C -0.152 175.894 176.000 0.077 0.000 0.967 769 Q CA 1.332 57.176 55.803 0.069 0.000 0.840 769 Q CB -1.021 27.746 28.738 0.049 0.000 3.542 769 Q HN 1.127 nan 8.270 nan 0.000 0.481 770 E N 1.565 121.828 120.200 0.105 0.000 7.527 770 E HA -0.147 4.203 4.350 -0.000 0.000 0.389 770 E C -1.940 174.687 176.600 0.044 0.000 0.568 770 E CA 0.917 57.371 56.400 0.089 0.000 1.067 770 E CB -0.375 29.370 29.700 0.074 0.000 0.942 770 E HN 0.432 nan 8.360 nan 0.000 0.262 771 D N 3.016 123.439 120.400 0.037 0.000 2.525 771 D HA 0.662 5.302 4.640 -0.000 0.000 0.249 771 D C 0.014 176.327 176.300 0.021 0.000 1.072 771 D CA -0.357 53.654 54.000 0.018 0.000 1.067 771 D CB 0.967 41.767 40.800 0.002 0.000 1.282 771 D HN 0.390 nan 8.370 nan 0.000 0.587 772 K N -0.455 119.953 120.400 0.012 0.000 2.197 772 K HA 0.632 4.952 4.320 -0.000 0.000 0.247 772 K C -0.551 176.052 176.600 0.004 0.000 1.077 772 K CA -0.764 55.529 56.287 0.010 0.000 0.882 772 K CB 1.730 34.233 32.500 0.006 0.000 1.396 772 K HN 0.198 nan 8.250 nan 0.000 0.482 773 I N 2.301 122.872 120.570 0.001 0.000 2.578 773 I HA 0.227 4.397 4.170 -0.000 0.000 0.284 773 I C -1.189 174.919 176.117 -0.016 0.000 1.156 773 I CA -0.538 60.760 61.300 -0.003 0.000 1.165 773 I CB 0.716 38.720 38.000 0.006 0.000 1.567 773 I HN 0.044 nan 8.210 nan 0.000 0.546 774 V N 3.733 123.629 119.914 -0.030 0.000 2.709 774 V HA 0.296 4.416 4.120 -0.000 0.000 0.308 774 V C 0.308 176.353 176.094 -0.083 0.000 1.062 774 V CA -0.904 61.369 62.300 -0.045 0.000 0.901 774 V CB 2.292 34.093 31.823 -0.036 0.000 1.003 774 V HN 0.603 nan 8.190 nan 0.000 0.425 775 M N 7.241 126.777 119.600 -0.106 0.000 2.508 775 M HA 0.007 4.487 4.480 -0.000 0.000 0.447 775 M C -1.976 174.164 176.300 -0.268 0.000 1.654 775 M CA -0.120 55.061 55.300 -0.199 0.000 0.944 775 M CB 0.210 32.710 32.600 -0.167 0.000 2.088 775 M HN 0.498 nan 8.290 nan 0.000 0.506 776 P HA 0.342 nan 4.420 nan 0.000 0.276 776 P C -1.152 175.854 177.300 -0.490 0.000 1.261 776 P CA -0.121 62.786 63.100 -0.321 0.000 0.800 776 P CB 1.124 32.695 31.700 -0.216 0.000 1.066 777 E N -0.721 119.227 120.200 -0.419 0.000 2.490 777 E HA 0.651 5.001 4.350 -0.000 0.000 0.176 777 E C -0.962 175.202 176.600 -0.727 0.000 0.781 777 E CA -1.001 55.162 56.400 -0.395 0.000 0.911 777 E CB 0.534 30.103 29.700 -0.217 0.000 2.014 777 E HN 0.422 nan 8.360 nan 0.000 0.388 778 A N 0.218 122.767 122.820 -0.451 0.000 2.253 778 A HA 0.643 4.963 4.320 -0.000 0.000 0.316 778 A C 0.166 177.705 177.584 -0.075 0.000 1.327 778 A CA 0.352 52.166 52.037 -0.371 0.000 0.917 778 A CB 0.327 19.281 19.000 -0.077 0.000 1.162 778 A HN 0.607 nan 8.150 nan 0.000 0.535 779 G N 0.312 109.179 108.800 0.112 0.000 2.645 779 G HA2 0.326 4.285 3.960 -0.000 0.000 0.208 779 G HA3 0.326 4.285 3.960 -0.000 0.000 0.208 779 G C 0.345 175.329 174.900 0.141 0.000 1.264 779 G CA 0.889 46.052 45.100 0.105 0.000 0.586 779 G HN 1.011 nan 8.290 nan 0.000 0.952 780 V N -0.798 119.238 119.914 0.203 0.000 3.400 780 V HA 0.470 4.590 4.120 -0.000 0.000 0.281 780 V C 0.729 176.841 176.094 0.029 0.000 1.617 780 V CA 0.135 62.491 62.300 0.093 0.000 1.044 780 V CB 0.892 32.744 31.823 0.048 0.000 0.858 780 V HN 0.300 nan 8.190 nan 0.000 0.425 781 R N 0.805 121.287 120.500 -0.031 0.000 2.905 781 R HA 0.575 4.915 4.340 -0.000 0.000 0.092 781 R C -0.746 175.177 176.300 -0.628 0.000 0.620 781 R CA 0.656 56.602 56.100 -0.257 0.000 0.438 781 R CB 0.952 31.124 30.300 -0.213 0.000 0.367 781 R HN 0.352 nan 8.270 nan 0.000 0.325 782 G N 0.314 108.547 108.800 -0.944 0.000 2.753 782 G HA2 0.603 4.562 3.960 -0.000 0.000 0.295 782 G HA3 0.603 4.562 3.960 -0.000 0.000 0.295 782 G C -1.659 172.797 174.900 -0.741 0.000 1.437 782 G CA -0.399 44.200 45.100 -0.834 0.000 1.094 782 G HN 0.336 nan 8.290 nan 0.000 0.540 783 Y N 0.830 121.158 120.300 0.047 0.000 3.326 783 Y HA 0.779 5.329 4.550 -0.000 0.000 0.306 783 Y C 0.456 176.407 175.900 0.084 0.000 1.652 783 Y CA -0.858 57.282 58.100 0.066 0.000 0.810 783 Y CB 1.394 39.907 38.460 0.088 0.000 1.269 783 Y HN 0.315 nan 8.280 nan 0.000 0.744 784 K N 0.280 120.881 120.400 0.334 0.000 2.690 784 K HA 0.444 4.763 4.320 -0.000 0.000 0.305 784 K C -0.905 175.884 176.600 0.315 0.000 1.200 784 K CA 0.110 56.544 56.287 0.246 0.000 1.071 784 K CB 1.249 33.855 32.500 0.176 0.000 1.366 784 K HN 0.937 nan 8.250 nan 0.000 0.513 785 G N 2.603 111.576 108.800 0.288 0.000 2.819 785 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.682 785 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.682 785 G C -1.101 173.869 174.900 0.117 0.000 1.481 785 G CA -0.667 44.605 45.100 0.287 0.000 0.904 785 G HN 0.384 nan 8.290 nan 0.000 0.563 786 K N 0.314 120.584 120.400 -0.217 0.000 2.469 786 K HA 0.559 4.879 4.320 -0.000 0.000 0.254 786 K C -0.005 176.171 176.600 -0.706 0.000 0.939 786 K CA -0.637 55.447 56.287 -0.338 0.000 0.812 786 K CB 1.995 34.409 32.500 -0.143 0.000 1.301 786 K HN 0.648 nan 8.250 nan 0.000 0.433 787 E N 0.391 120.017 120.200 -0.958 0.000 2.440 787 E HA -0.244 4.106 4.350 -0.000 0.000 0.246 787 E C -0.386 175.827 176.600 -0.645 0.000 1.165 787 E CA 0.758 56.726 56.400 -0.721 0.000 0.726 787 E CB -1.456 28.028 29.700 -0.361 0.000 1.271 787 E HN 0.531 nan 8.360 nan 0.000 0.397 788 Y N -1.583 118.318 120.300 -0.665 0.000 2.347 788 Y HA -0.040 4.510 4.550 -0.000 0.000 0.294 788 Y C 1.852 177.631 175.900 -0.202 0.000 1.117 788 Y CA 1.233 59.143 58.100 -0.317 0.000 1.184 788 Y CB -0.470 37.875 38.460 -0.192 0.000 1.047 788 Y HN 0.380 nan 8.280 nan 0.000 0.546 789 Y N -0.038 120.347 120.300 0.141 0.000 2.029 789 Y HA -0.428 4.122 4.550 -0.000 0.000 0.269 789 Y C 2.561 178.484 175.900 0.038 0.000 1.201 789 Y CA 1.118 59.259 58.100 0.068 0.000 1.115 789 Y CB -0.982 37.497 38.460 0.032 0.000 0.945 789 Y HN -0.026 nan 8.280 nan 0.000 0.497 790 R N 0.818 121.405 120.500 0.146 0.000 2.418 790 R HA -0.332 4.008 4.340 -0.000 0.000 0.161 790 R C 1.506 177.847 176.300 0.068 0.000 0.790 790 R CA 2.814 58.960 56.100 0.076 0.000 0.202 790 R CB -1.632 28.683 30.300 0.024 0.000 0.596 790 R HN 0.539 nan 8.270 nan 0.000 0.227 791 L N 0.745 122.003 121.223 0.058 0.000 2.261 791 L HA -0.006 4.334 4.340 -0.000 0.000 0.216 791 L C 0.899 177.792 176.870 0.039 0.000 1.114 791 L CA 0.552 55.415 54.840 0.038 0.000 0.777 791 L CB -0.671 41.403 42.059 0.025 0.000 0.910 791 L HN 0.140 nan 8.230 nan 0.000 0.440 792 L N 0.264 121.523 121.223 0.061 0.000 2.453 792 L HA 0.072 4.412 4.340 -0.000 0.000 0.272 792 L C 0.717 177.611 176.870 0.039 0.000 1.182 792 L CA -0.251 54.617 54.840 0.048 0.000 0.858 792 L CB 0.315 42.411 42.059 0.062 0.000 1.120 792 L HN 0.049 nan 8.230 nan 0.000 0.474 793 E N 1.321 121.533 120.200 0.021 0.000 4.569 793 E HA -0.020 4.330 4.350 -0.000 0.000 0.455 793 E C 1.019 177.624 176.600 0.008 0.000 1.200 793 E CA 0.001 56.410 56.400 0.015 0.000 2.838 793 E CB 0.293 29.999 29.700 0.010 0.000 1.844 793 E HN 0.641 nan 8.360 nan 0.000 0.714 794 D N 0.360 120.761 120.400 0.002 0.000 2.117 794 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 794 D C 1.078 177.370 176.300 -0.013 0.000 0.982 794 D CA 1.051 55.047 54.000 -0.006 0.000 0.828 794 D CB -0.761 40.036 40.800 -0.005 0.000 0.967 794 D HN 0.324 nan 8.370 nan 0.000 0.464 795 N N 0.616 119.311 118.700 -0.008 0.000 2.550 795 N HA -0.000 4.740 4.740 -0.000 0.000 0.186 795 N C 1.512 177.013 175.510 -0.015 0.000 1.110 795 N CA 1.059 54.103 53.050 -0.010 0.000 0.912 795 N CB -0.476 38.009 38.487 -0.004 0.000 0.968 795 N HN 0.385 nan 8.380 nan 0.000 0.448 796 G N -1.392 107.398 108.800 -0.016 0.000 2.132 796 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.228 796 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.228 796 G C -0.599 174.298 174.900 -0.005 0.000 1.000 796 G CA 0.233 45.320 45.100 -0.023 0.000 0.693 796 G HN 0.361 nan 8.290 nan 0.000 0.515 797 V N 0.067 119.983 119.914 0.003 0.000 2.925 797 V HA 0.751 4.870 4.120 -0.000 0.000 0.311 797 V C 1.092 177.191 176.094 0.008 0.000 1.104 797 V CA -0.574 61.729 62.300 0.006 0.000 0.954 797 V CB 1.954 33.781 31.823 0.007 0.000 1.022 797 V HN 0.999 nan 8.190 nan 0.000 0.427 798 V N 0.997 120.913 119.914 0.004 0.000 3.503 798 V HA 0.768 4.888 4.120 -0.000 0.000 0.300 798 V C 0.308 176.407 176.094 0.007 0.000 1.099 798 V CA 0.001 62.304 62.300 0.004 0.000 1.117 798 V CB 1.165 32.983 31.823 -0.009 0.000 1.122 798 V HN 1.209 nan 8.190 nan 0.000 0.476 799 S N -0.415 115.290 115.700 0.008 0.000 2.572 799 S HA 0.676 5.146 4.470 -0.000 0.000 0.274 799 S C -2.499 172.108 174.600 0.011 0.000 1.150 799 S CA -1.137 57.069 58.200 0.010 0.000 0.944 799 S CB 1.451 64.656 63.200 0.008 0.000 1.071 799 S HN 0.813 nan 8.310 nan 0.000 0.479 800 P HA -0.240 nan 4.420 nan 0.000 0.299 800 P C 0.086 177.397 177.300 0.017 0.000 1.966 800 P CA 0.650 63.761 63.100 0.018 0.000 1.760 800 P CB 0.046 31.754 31.700 0.013 0.000 0.254 801 E N -1.767 118.445 120.200 0.019 0.000 1.232 801 E HA -0.169 4.181 4.350 -0.000 0.000 0.169 801 E C -0.356 176.252 176.600 0.014 0.000 0.835 801 E CA 0.822 57.233 56.400 0.018 0.000 0.432 801 E CB -1.292 28.417 29.700 0.015 0.000 1.055 801 E HN 0.079 nan 8.360 nan 0.000 0.260 802 V N 1.893 121.815 119.914 0.012 0.000 2.311 802 V HA 0.035 4.155 4.120 -0.000 0.000 0.275 802 V C 0.607 176.704 176.094 0.005 0.000 1.022 802 V CA -0.502 61.803 62.300 0.008 0.000 0.830 802 V CB 1.195 33.022 31.823 0.006 0.000 1.012 802 V HN 0.154 nan 8.190 nan 0.000 0.452 803 E N 3.790 123.992 120.200 0.004 0.000 2.463 803 E HA 0.122 4.472 4.350 -0.000 0.000 0.248 803 E C -0.494 176.103 176.600 -0.005 0.000 1.106 803 E CA 0.038 56.438 56.400 0.002 0.000 0.946 803 E CB 1.014 30.716 29.700 0.003 0.000 0.971 803 E HN 0.368 nan 8.360 nan 0.000 0.478 804 V N 3.801 123.708 119.914 -0.012 0.000 2.732 804 V HA 0.356 4.476 4.120 -0.000 0.000 0.310 804 V C 0.002 176.079 176.094 -0.029 0.000 1.053 804 V CA -0.471 61.813 62.300 -0.026 0.000 0.957 804 V CB 2.033 33.827 31.823 -0.048 0.000 1.018 804 V HN 0.584 nan 8.190 nan 0.000 0.452 805 K N 0.950 121.329 120.400 -0.036 0.000 2.318 805 K HA 0.754 5.074 4.320 -0.000 0.000 0.265 805 K C 0.713 177.275 176.600 -0.063 0.000 1.055 805 K CA 0.077 56.338 56.287 -0.044 0.000 0.896 805 K CB 0.911 33.390 32.500 -0.035 0.000 1.479 805 K HN 0.843 nan 8.250 nan 0.000 0.449 806 G N 0.344 109.096 108.800 -0.080 0.000 2.606 806 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.497 806 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.497 806 G C 0.693 175.530 174.900 -0.104 0.000 1.309 806 G CA 0.782 45.817 45.100 -0.108 0.000 0.936 806 G HN 0.761 nan 8.290 nan 0.000 0.550 807 G N 0.125 108.854 108.800 -0.118 0.000 3.414 807 G HA2 0.408 4.368 3.960 -0.000 0.000 0.258 807 G HA3 0.408 4.368 3.960 -0.000 0.000 0.258 807 G C 0.031 174.748 174.900 -0.305 0.000 1.348 807 G CA 0.667 45.657 45.100 -0.182 0.000 1.319 807 G HN 0.568 nan 8.290 nan 0.000 0.555 808 D N -0.165 120.119 120.400 -0.192 0.000 2.362 808 D HA 0.184 4.824 4.640 -0.000 0.000 0.238 808 D C 0.429 176.644 176.300 -0.142 0.000 1.212 808 D CA 0.080 53.992 54.000 -0.146 0.000 0.902 808 D CB 1.584 42.338 40.800 -0.077 0.000 1.180 808 D HN -0.064 nan 8.370 nan 0.000 0.445 809 V N 2.896 122.778 119.914 -0.053 0.000 2.385 809 V HA 0.094 4.214 4.120 -0.000 0.000 0.269 809 V C 1.261 177.333 176.094 -0.036 0.000 1.043 809 V CA -0.259 62.034 62.300 -0.011 0.000 0.906 809 V CB 0.902 32.801 31.823 0.127 0.000 0.995 809 V HN 0.448 nan 8.190 nan 0.000 0.467 810 L N 4.678 125.840 121.223 -0.101 0.000 2.145 810 L HA 0.329 4.668 4.340 -0.000 0.000 0.201 810 L C 0.441 177.281 176.870 -0.050 0.000 1.075 810 L CA 1.235 56.002 54.840 -0.122 0.000 0.773 810 L CB 0.184 42.074 42.059 -0.281 0.000 0.936 810 L HN 0.434 nan 8.230 nan 0.000 0.451 811 I N -0.454 120.099 120.570 -0.029 0.000 2.498 811 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 811 I C -0.039 176.084 176.117 0.010 0.000 1.032 811 I CA -0.434 60.867 61.300 0.001 0.000 1.073 811 I CB 2.030 40.040 38.000 0.016 0.000 1.251 811 I HN -0.097 nan 8.210 nan 0.000 0.426 812 G N 5.873 114.672 108.800 -0.001 0.000 2.377 812 G HA2 0.538 4.498 3.960 -0.000 0.000 0.316 812 G HA3 0.538 4.498 3.960 -0.000 0.000 0.316 812 G C -0.532 174.354 174.900 -0.022 0.000 1.115 812 G CA -0.308 44.778 45.100 -0.023 0.000 0.952 812 G HN 0.531 nan 8.290 nan 0.000 0.441 813 K N 0.629 121.027 120.400 -0.003 0.000 2.307 813 K HA 0.838 5.158 4.320 -0.000 0.000 0.239 813 K C -1.119 175.486 176.600 0.010 0.000 1.083 813 K CA -0.952 55.338 56.287 0.006 0.000 0.913 813 K CB 2.641 35.156 32.500 0.024 0.000 1.322 813 K HN 0.260 nan 8.250 nan 0.000 0.514 814 V N 1.022 120.949 119.914 0.020 0.000 2.915 814 V HA 0.104 4.224 4.120 -0.000 0.000 0.273 814 V C -1.548 174.560 176.094 0.023 0.000 1.538 814 V CA -0.794 61.525 62.300 0.032 0.000 0.946 814 V CB 1.959 33.806 31.823 0.040 0.000 1.183 814 V HN 0.949 nan 8.190 nan 0.000 0.446 815 S N 5.859 121.572 115.700 0.021 0.000 2.578 815 S HA 0.888 5.358 4.470 -0.000 0.000 0.301 815 S C -3.015 171.561 174.600 -0.041 0.000 1.091 815 S CA -1.674 56.529 58.200 0.006 0.000 1.032 815 S CB 2.567 65.787 63.200 0.032 0.000 1.064 815 S HN 0.546 nan 8.310 nan 0.000 0.508 816 P HA 0.543 nan 4.420 nan 0.000 0.292 816 P C -2.760 174.349 177.300 -0.319 0.000 1.283 816 P CA -1.704 61.287 63.100 -0.182 0.000 0.835 816 P CB 0.784 32.364 31.700 -0.200 0.000 1.017 817 P HA 0.614 nan 4.420 nan 0.000 0.301 817 P C -0.579 176.557 177.300 -0.273 0.000 1.309 817 P CA -0.556 62.408 63.100 -0.226 0.000 0.782 817 P CB 1.414 33.047 31.700 -0.111 0.000 1.282 832 K N 0.544 120.921 120.400 -0.039 0.000 2.652 832 K HA 0.390 4.709 4.320 -0.000 0.000 0.249 832 K C -0.689 175.886 176.600 -0.041 0.000 0.986 832 K CA -0.470 55.816 56.287 -0.002 0.000 0.867 832 K CB 2.475 35.037 32.500 0.103 0.000 1.201 832 K HN 0.366 nan 8.250 nan 0.000 0.450 833 R N 1.441 121.925 120.500 -0.027 0.000 2.500 833 R HA 0.098 4.438 4.340 -0.000 0.000 0.277 833 R C 0.386 176.713 176.300 0.046 0.000 1.026 833 R CA -0.272 55.817 56.100 -0.018 0.000 1.058 833 R CB 0.955 31.244 30.300 -0.018 0.000 1.078 833 R HN 0.579 nan 8.270 nan 0.000 0.509 834 D N 0.740 121.182 120.400 0.071 0.000 2.103 834 D HA -0.083 4.557 4.640 -0.000 0.000 0.199 834 D C 0.379 176.726 176.300 0.079 0.000 0.978 834 D CA 2.191 56.261 54.000 0.116 0.000 0.829 834 D CB 0.325 41.217 40.800 0.153 0.000 0.981 834 D HN 0.819 nan 8.370 nan 0.000 0.464 835 T N -1.058 113.534 114.554 0.063 0.000 11.150 835 T HA -0.306 4.044 4.350 -0.000 0.000 0.417 835 T C 0.669 175.402 174.700 0.055 0.000 1.460 835 T CA 1.608 63.741 62.100 0.055 0.000 2.433 835 T CB -1.955 66.942 68.868 0.048 0.000 2.893 835 T HN 0.424 nan 8.240 nan 0.000 1.015 836 S N 3.208 118.940 115.700 0.054 0.000 2.599 836 S HA 0.271 4.741 4.470 -0.000 0.000 0.303 836 S C 0.328 174.956 174.600 0.047 0.000 1.267 836 S CA -0.654 57.573 58.200 0.046 0.000 1.055 836 S CB 0.075 63.301 63.200 0.044 0.000 0.790 836 S HN 0.389 nan 8.310 nan 0.000 0.500 837 I N 3.513 124.108 120.570 0.041 0.000 2.436 837 I HA 0.189 4.359 4.170 -0.000 0.000 0.289 837 I C 0.467 176.583 176.117 -0.002 0.000 1.083 837 I CA -0.421 60.908 61.300 0.048 0.000 1.372 837 I CB -0.126 37.917 38.000 0.072 0.000 1.408 837 I HN 0.500 nan 8.210 nan 0.000 0.516 838 V N 6.235 126.153 119.914 0.007 0.000 2.966 838 V HA 0.398 4.517 4.120 -0.000 0.000 0.317 838 V C 0.489 176.539 176.094 -0.073 0.000 1.070 838 V CA -0.669 61.600 62.300 -0.052 0.000 1.008 838 V CB 2.160 33.958 31.823 -0.042 0.000 1.070 838 V HN 0.788 nan 8.190 nan 0.000 0.457 839 T N 3.207 117.679 114.554 -0.137 0.000 2.869 839 T HA 0.299 4.649 4.350 -0.000 0.000 0.295 839 T C 0.289 175.029 174.700 0.067 0.000 0.987 839 T CA -0.547 61.480 62.100 -0.122 0.000 1.109 839 T CB 0.238 69.006 68.868 -0.168 0.000 0.932 839 T HN 0.444 nan 8.240 nan 0.000 0.518 840 R N 1.615 122.260 120.500 0.242 0.000 2.566 840 R HA -0.089 4.251 4.340 -0.000 0.000 0.273 840 R C 1.469 177.816 176.300 0.077 0.000 0.981 840 R CA 0.168 56.371 56.100 0.171 0.000 1.091 840 R CB 0.087 30.482 30.300 0.158 0.000 0.924 840 R HN 0.835 nan 8.270 nan 0.000 0.411 841 H N 2.048 121.120 119.070 0.003 0.000 2.431 841 H HA -0.137 4.419 4.556 -0.000 0.000 0.297 841 H C 1.601 176.903 175.328 -0.042 0.000 1.115 841 H CA 2.330 58.361 56.048 -0.027 0.000 1.277 841 H CB 0.155 29.896 29.762 -0.034 0.000 1.372 841 H HN 0.770 nan 8.280 nan 0.000 0.516 842 G N -1.148 107.477 108.800 -0.291 0.000 2.850 842 G HA2 0.060 4.019 3.960 -0.000 0.000 0.211 842 G HA3 0.060 4.019 3.960 -0.000 0.000 0.211 842 G C 0.276 175.060 174.900 -0.194 0.000 1.124 842 G CA -0.246 44.655 45.100 -0.332 0.000 0.769 842 G HN 0.388 nan 8.290 nan 0.000 0.535 843 E N 0.202 120.331 120.200 -0.117 0.000 2.392 843 E HA 0.523 4.872 4.350 -0.000 0.000 0.256 843 E C 0.417 176.980 176.600 -0.062 0.000 1.145 843 E CA 0.035 56.392 56.400 -0.072 0.000 0.929 843 E CB 0.778 30.485 29.700 0.011 0.000 0.998 843 E HN 0.443 nan 8.360 nan 0.000 0.442 844 M N -0.752 118.822 119.600 -0.044 0.000 2.779 844 M HA 0.838 5.318 4.480 -0.000 0.000 0.277 844 M C -0.564 175.734 176.300 -0.004 0.000 1.284 844 M CA -0.455 54.828 55.300 -0.029 0.000 0.801 844 M CB 2.365 34.941 32.600 -0.039 0.000 1.712 844 M HN 0.539 nan 8.290 nan 0.000 0.453 845 G N 0.873 109.673 108.800 -0.001 0.000 2.333 845 G HA2 0.305 4.265 3.960 -0.000 0.000 0.330 845 G HA3 0.305 4.265 3.960 -0.000 0.000 0.330 845 G C -2.098 172.809 174.900 0.012 0.000 1.465 845 G CA -1.138 43.968 45.100 0.009 0.000 0.996 845 G HN 0.861 nan 8.290 nan 0.000 0.655 846 I N 0.773 121.351 120.570 0.013 0.000 2.452 846 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 846 I C 1.102 177.239 176.117 0.033 0.000 1.079 846 I CA -0.167 61.144 61.300 0.019 0.000 1.387 846 I CB 1.514 39.526 38.000 0.020 0.000 1.404 846 I HN 0.353 nan 8.210 nan 0.000 0.522 847 V N 7.461 127.391 119.914 0.028 0.000 2.475 847 V HA -0.091 4.029 4.120 -0.000 0.000 0.292 847 V C 0.883 177.010 176.094 0.055 0.000 1.003 847 V CA 0.650 62.973 62.300 0.037 0.000 1.120 847 V CB 0.561 32.393 31.823 0.016 0.000 0.937 847 V HN 0.796 nan 8.190 nan 0.000 0.476 848 D N 3.801 124.253 120.400 0.087 0.000 2.323 848 D HA 0.158 4.798 4.640 -0.000 0.000 0.218 848 D C -0.030 176.318 176.300 0.080 0.000 0.973 848 D CA 0.402 54.466 54.000 0.106 0.000 0.890 848 D CB 0.483 41.400 40.800 0.194 0.000 1.011 848 D HN 0.376 nan 8.370 nan 0.000 0.499 849 L N 0.443 121.713 121.223 0.079 0.000 2.513 849 L HA 0.464 4.804 4.340 -0.000 0.000 0.261 849 L C -1.747 175.153 176.870 0.050 0.000 0.945 849 L CA -0.718 54.153 54.840 0.052 0.000 0.848 849 L CB 2.089 44.174 42.059 0.043 0.000 1.334 849 L HN -0.202 nan 8.230 nan 0.000 0.407 850 V N 4.337 124.270 119.914 0.032 0.000 2.769 850 V HA 0.748 4.868 4.120 -0.000 0.000 0.312 850 V C -0.791 175.316 176.094 0.022 0.000 1.061 850 V CA -0.723 61.595 62.300 0.030 0.000 0.931 850 V CB 1.824 33.661 31.823 0.023 0.000 1.010 850 V HN 0.779 nan 8.190 nan 0.000 0.433 851 L N 4.170 125.408 121.223 0.025 0.000 2.526 851 L HA 0.757 5.097 4.340 -0.000 0.000 0.263 851 L C -1.936 174.947 176.870 0.021 0.000 0.943 851 L CA -0.291 54.560 54.840 0.019 0.000 0.859 851 L CB 1.942 44.010 42.059 0.016 0.000 1.313 851 L HN 0.628 nan 8.230 nan 0.000 0.406 852 I N 4.112 124.692 120.570 0.016 0.000 2.436 852 I HA 0.805 4.975 4.170 -0.000 0.000 0.289 852 I C -0.064 176.063 176.117 0.015 0.000 1.010 852 I CA 0.144 61.454 61.300 0.017 0.000 1.098 852 I CB 2.112 40.120 38.000 0.014 0.000 1.266 852 I HN 0.670 nan 8.210 nan 0.000 0.434 853 T N 2.704 117.269 114.554 0.018 0.000 2.630 853 T HA 0.528 4.878 4.350 -0.000 0.000 0.300 853 T C -1.104 173.607 174.700 0.019 0.000 1.261 853 T CA -1.015 61.095 62.100 0.017 0.000 1.060 853 T CB 1.461 70.341 68.868 0.019 0.000 1.670 853 T HN 0.446 nan 8.240 nan 0.000 0.473 854 E N 0.920 121.131 120.200 0.019 0.000 2.317 854 E HA 0.544 4.894 4.350 -0.000 0.000 0.270 854 E C -0.897 175.717 176.600 0.023 0.000 0.885 854 E CA -0.895 55.516 56.400 0.020 0.000 0.760 854 E CB 1.764 31.474 29.700 0.016 0.000 1.227 854 E HN 0.624 nan 8.360 nan 0.000 0.434 855 T N 0.295 114.863 114.554 0.024 0.000 2.900 855 T HA 0.135 4.485 4.350 -0.000 0.000 0.307 855 T C 1.470 176.183 174.700 0.022 0.000 1.065 855 T CA -0.005 62.111 62.100 0.026 0.000 1.105 855 T CB 1.105 69.989 68.868 0.026 0.000 0.979 855 T HN 0.649 nan 8.240 nan 0.000 0.544 856 A N 1.904 124.739 122.820 0.025 0.000 2.001 856 A HA -0.274 4.046 4.320 -0.000 0.000 0.224 856 A C 2.271 179.863 177.584 0.014 0.000 1.203 856 A CA 1.976 54.024 52.037 0.019 0.000 0.667 856 A CB -0.692 18.320 19.000 0.021 0.000 0.823 856 A HN 0.903 nan 8.150 nan 0.000 0.473 857 E N -1.705 118.504 120.200 0.016 0.000 2.058 857 E HA -0.020 4.329 4.350 -0.000 0.000 0.194 857 E C 1.581 178.188 176.600 0.011 0.000 0.997 857 E CA 1.405 57.812 56.400 0.012 0.000 0.801 857 E CB -0.694 29.014 29.700 0.013 0.000 0.746 857 E HN 1.211 nan 8.360 nan 0.000 0.450 858 G N 0.662 109.470 108.800 0.014 0.000 2.507 858 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.205 858 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.205 858 G C -0.196 174.713 174.900 0.015 0.000 0.996 858 G CA -0.345 44.763 45.100 0.013 0.000 0.776 858 G HN 0.088 nan 8.290 nan 0.000 0.532 859 N N 0.711 119.422 118.700 0.018 0.000 2.508 859 N HA 0.374 5.114 4.740 -0.000 0.000 0.285 859 N C 0.223 175.746 175.510 0.020 0.000 1.144 859 N CA -0.379 52.683 53.050 0.020 0.000 0.978 859 N CB 0.995 39.496 38.487 0.023 0.000 1.180 859 N HN 0.106 nan 8.380 nan 0.000 0.484 860 K N 1.099 121.511 120.400 0.020 0.000 2.360 860 K HA 0.006 4.326 4.320 -0.000 0.000 0.225 860 K C -0.185 176.429 176.600 0.023 0.000 1.246 860 K CA -0.187 56.112 56.287 0.019 0.000 1.198 860 K CB -0.612 31.898 32.500 0.017 0.000 1.348 860 K HN 0.281 nan 8.250 nan 0.000 0.232 861 L N 2.064 123.303 121.223 0.025 0.000 2.534 861 L HA 0.053 4.393 4.340 -0.000 0.000 0.271 861 L C -0.738 176.151 176.870 0.031 0.000 1.178 861 L CA 0.428 55.286 54.840 0.030 0.000 0.907 861 L CB 0.620 42.698 42.059 0.031 0.000 1.164 861 L HN 0.034 nan 8.230 nan 0.000 0.482 862 V N 5.722 125.657 119.914 0.036 0.000 2.540 862 V HA 0.524 4.643 4.120 -0.000 0.000 0.302 862 V C -0.032 176.093 176.094 0.052 0.000 1.035 862 V CA -0.922 61.401 62.300 0.038 0.000 0.873 862 V CB 1.716 33.559 31.823 0.034 0.000 0.992 862 V HN 0.738 nan 8.190 nan 0.000 0.428 863 K N 2.601 123.033 120.400 0.054 0.000 2.208 863 K HA 0.851 5.171 4.320 -0.000 0.000 0.247 863 K C -1.434 175.216 176.600 0.083 0.000 0.953 863 K CA -0.805 55.525 56.287 0.073 0.000 0.837 863 K CB 2.579 35.115 32.500 0.059 0.000 1.131 863 K HN 0.413 nan 8.250 nan 0.000 0.431 864 V N 2.132 122.123 119.914 0.128 0.000 2.588 864 V HA 0.412 4.532 4.120 -0.000 0.000 0.304 864 V C -0.499 175.714 176.094 0.197 0.000 1.042 864 V CA -0.903 61.477 62.300 0.133 0.000 0.877 864 V CB 1.763 33.644 31.823 0.096 0.000 0.996 864 V HN 0.689 nan 8.190 nan 0.000 0.425 865 R N 3.030 123.626 120.500 0.160 0.000 2.589 865 R HA 0.822 5.162 4.340 -0.000 0.000 0.293 865 R C -1.752 174.674 176.300 0.211 0.000 0.963 865 R CA -0.463 55.753 56.100 0.195 0.000 0.905 865 R CB 2.053 32.448 30.300 0.158 0.000 1.144 865 R HN 0.509 nan 8.270 nan 0.000 0.459 866 V N 4.788 124.851 119.914 0.247 0.000 2.340 866 V HA 0.328 4.447 4.120 -0.000 0.000 0.277 866 V C 0.146 176.304 176.094 0.105 0.000 1.017 866 V CA -0.845 61.569 62.300 0.191 0.000 0.820 866 V CB 0.914 32.879 31.823 0.237 0.000 1.028 866 V HN 0.803 nan 8.190 nan 0.000 0.436 867 R N 2.362 122.893 120.500 0.052 0.000 2.678 867 R HA 0.163 4.502 4.340 -0.000 0.000 0.264 867 R C -0.460 175.771 176.300 -0.116 0.000 0.995 867 R CA 0.823 56.835 56.100 -0.147 0.000 1.098 867 R CB 0.284 30.578 30.300 -0.010 0.000 0.949 867 R HN 0.832 nan 8.270 nan 0.000 0.422 868 D N 2.968 123.253 120.400 -0.192 0.000 2.452 868 D HA 0.116 4.756 4.640 -0.000 0.000 0.226 868 D C -1.174 175.098 176.300 -0.046 0.000 1.366 868 D CA -0.410 53.550 54.000 -0.067 0.000 0.986 868 D CB 0.757 41.552 40.800 -0.009 0.000 1.420 868 D HN 0.405 nan 8.370 nan 0.000 0.583 869 L N 3.836 125.065 121.223 0.009 0.000 2.745 869 L HA 0.075 4.415 4.340 -0.000 0.000 0.273 869 L C 0.807 177.684 176.870 0.012 0.000 1.156 869 L CA 0.727 55.599 54.840 0.053 0.000 0.982 869 L CB 0.034 42.139 42.059 0.077 0.000 1.295 869 L HN 0.280 nan 8.230 nan 0.000 0.483 870 R N 5.215 125.704 120.500 -0.018 0.000 2.666 870 R HA 0.345 4.685 4.340 -0.000 0.000 0.275 870 R C -0.417 175.880 176.300 -0.006 0.000 1.266 870 R CA -0.612 55.481 56.100 -0.011 0.000 1.401 870 R CB 0.239 30.540 30.300 0.002 0.000 1.145 870 R HN 0.520 nan 8.270 nan 0.000 0.581 871 I N 3.162 123.745 120.570 0.021 0.000 2.648 871 I HA 0.071 4.241 4.170 -0.000 0.000 0.284 871 I C -1.649 174.506 176.117 0.063 0.000 1.153 871 I CA -1.881 59.447 61.300 0.048 0.000 1.426 871 I CB 0.199 38.231 38.000 0.053 0.000 1.381 871 I HN 0.131 nan 8.210 nan 0.000 0.571 872 P HA 0.041 nan 4.420 nan 0.000 0.263 872 P C -0.432 176.903 177.300 0.059 0.000 1.247 872 P CA 0.170 63.349 63.100 0.133 0.000 0.876 872 P CB 0.084 31.904 31.700 0.199 0.000 0.928 873 T N 3.751 118.335 114.554 0.051 0.000 2.944 873 T HA 0.399 4.749 4.350 -0.000 0.000 0.284 873 T C 0.683 175.386 174.700 0.006 0.000 1.010 873 T CA -0.532 61.579 62.100 0.017 0.000 1.025 873 T CB 0.490 69.367 68.868 0.015 0.000 1.079 873 T HN 0.099 nan 8.240 nan 0.000 0.516 874 I N 2.418 122.981 120.570 -0.012 0.000 2.872 874 I HA 0.282 4.452 4.170 -0.000 0.000 0.287 874 I C 1.410 177.532 176.117 0.007 0.000 1.197 874 I CA 0.972 62.262 61.300 -0.017 0.000 1.390 874 I CB -0.649 37.340 38.000 -0.018 0.000 1.400 874 I HN 0.964 nan 8.210 nan 0.000 0.544 875 G N 3.293 112.102 108.800 0.016 0.000 2.151 875 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.140 875 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.140 875 G C -0.415 174.523 174.900 0.064 0.000 1.020 875 G CA -0.701 44.419 45.100 0.034 0.000 0.688 875 G HN 0.540 nan 8.290 nan 0.000 0.500 876 D N 0.697 121.165 120.400 0.114 0.000 2.193 876 D HA 0.405 5.045 4.640 -0.000 0.000 0.244 876 D C 0.259 176.745 176.300 0.309 0.000 1.064 876 D CA -0.316 53.804 54.000 0.200 0.000 0.845 876 D CB 1.883 42.867 40.800 0.306 0.000 1.148 876 D HN 0.223 nan 8.370 nan 0.000 0.464 877 K N 1.509 122.024 120.400 0.192 0.000 2.368 877 K HA 0.263 4.583 4.320 -0.000 0.000 0.282 877 K C -1.071 175.645 176.600 0.194 0.000 1.035 877 K CA 0.058 56.455 56.287 0.184 0.000 0.973 877 K CB 0.345 32.904 32.500 0.099 0.000 0.957 877 K HN 0.175 nan 8.250 nan 0.000 0.474 878 F N 1.519 121.459 119.950 -0.016 0.000 2.576 878 F HA 0.637 5.164 4.527 -0.000 0.000 0.313 878 F C -0.222 175.655 175.800 0.129 0.000 1.078 878 F CA -0.759 57.237 58.000 -0.006 0.000 0.921 878 F CB 2.292 41.202 39.000 -0.150 0.000 1.232 878 F HN 0.531 nan 8.300 nan 0.000 0.459 879 A N 1.038 124.067 122.820 0.348 0.000 2.486 879 A HA 0.716 5.036 4.320 -0.000 0.000 0.300 879 A C -0.568 177.074 177.584 0.097 0.000 1.048 879 A CA -0.492 51.708 52.037 0.271 0.000 0.696 879 A CB 1.389 20.476 19.000 0.145 0.000 1.278 879 A HN 0.824 nan 8.150 nan 0.000 0.405 880 S N 1.054 116.655 115.700 -0.164 0.000 2.661 880 S HA 0.444 4.913 4.470 -0.000 0.000 0.265 880 S C 0.669 175.221 174.600 -0.080 0.000 1.225 880 S CA -0.317 57.605 58.200 -0.463 0.000 0.986 880 S CB 0.704 63.630 63.200 -0.457 0.000 1.008 880 S HN 0.651 nan 8.310 nan 0.000 0.565 881 R N -0.767 119.738 120.500 0.007 0.000 2.297 881 R HA 0.173 4.513 4.340 -0.000 0.000 0.197 881 R C 0.280 176.451 176.300 -0.215 0.000 0.943 881 R CA 0.524 56.570 56.100 -0.089 0.000 1.038 881 R CB -0.177 30.022 30.300 -0.168 0.000 0.957 881 R HN 0.704 nan 8.270 nan 0.000 0.484 882 H N -1.455 117.568 119.070 -0.078 0.000 2.487 882 H HA 0.345 4.900 4.556 -0.000 0.000 0.290 882 H C 0.669 175.958 175.328 -0.064 0.000 1.081 882 H CA 0.014 56.018 56.048 -0.074 0.000 1.116 882 H CB 0.866 30.595 29.762 -0.056 0.000 1.560 882 H HN 0.213 nan 8.280 nan 0.000 0.548 883 G N 1.116 109.960 108.800 0.073 0.000 2.204 883 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 883 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 883 G C -0.017 174.958 174.900 0.126 0.000 1.062 883 G CA -0.391 44.770 45.100 0.101 0.000 0.798 883 G HN 0.352 nan 8.290 nan 0.000 0.496 884 Q N 0.734 120.605 119.800 0.119 0.000 2.503 884 Q HA 0.460 4.800 4.340 -0.000 0.000 0.227 884 Q C 0.806 176.922 176.000 0.193 0.000 1.109 884 Q CA -0.045 55.846 55.803 0.148 0.000 0.922 884 Q CB 0.216 29.052 28.738 0.163 0.000 1.249 884 Q HN 0.515 nan 8.270 nan 0.000 0.530 885 K N 0.769 121.267 120.400 0.163 0.000 2.102 885 K HA 0.767 5.086 4.320 -0.000 0.000 0.244 885 K C -0.188 176.489 176.600 0.128 0.000 1.021 885 K CA -0.015 56.358 56.287 0.143 0.000 0.913 885 K CB 0.997 33.557 32.500 0.100 0.000 1.062 885 K HN 0.752 nan 8.250 nan 0.000 0.485 886 G N -0.278 108.588 108.800 0.111 0.000 2.322 886 G HA2 0.066 4.025 3.960 -0.000 0.000 0.289 886 G HA3 0.066 4.025 3.960 -0.000 0.000 0.289 886 G C -1.652 173.296 174.900 0.080 0.000 1.687 886 G CA -0.955 44.190 45.100 0.076 0.000 0.944 886 G HN 0.344 nan 8.290 nan 0.000 0.718 887 V N 2.740 122.685 119.914 0.051 0.000 2.607 887 V HA 0.377 4.497 4.120 -0.000 0.000 0.289 887 V C 1.220 177.313 176.094 -0.002 0.000 1.053 887 V CA -0.636 61.697 62.300 0.055 0.000 0.996 887 V CB 1.479 33.327 31.823 0.042 0.000 0.995 887 V HN 0.628 nan 8.190 nan 0.000 0.476 888 I N 5.079 125.622 120.570 -0.044 0.000 2.818 888 I HA -0.026 4.143 4.170 -0.000 0.000 0.285 888 I C 1.650 177.731 176.117 -0.059 0.000 1.160 888 I CA 0.769 61.984 61.300 -0.142 0.000 1.370 888 I CB -0.006 37.854 38.000 -0.234 0.000 1.440 888 I HN 0.842 nan 8.210 nan 0.000 0.555 889 G N 6.374 115.156 108.800 -0.031 0.000 2.424 889 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.214 889 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.214 889 G C 0.383 175.314 174.900 0.052 0.000 1.202 889 G CA 0.387 45.524 45.100 0.062 0.000 0.793 889 G HN 0.498 nan 8.290 nan 0.000 0.534 890 M N -0.804 118.768 119.600 -0.045 0.000 2.433 890 M HA 0.650 5.130 4.480 -0.000 0.000 0.290 890 M C -2.115 174.082 176.300 -0.171 0.000 1.173 890 M CA -0.828 54.357 55.300 -0.192 0.000 0.905 890 M CB 2.318 34.587 32.600 -0.552 0.000 1.692 890 M HN -0.071 nan 8.290 nan 0.000 0.462 891 L N 5.580 126.706 121.223 -0.161 0.000 2.259 891 L HA 0.562 4.902 4.340 -0.000 0.000 0.288 891 L C -1.240 175.560 176.870 -0.116 0.000 1.051 891 L CA 0.267 55.030 54.840 -0.128 0.000 0.824 891 L CB 0.162 42.163 42.059 -0.096 0.000 1.206 891 L HN 0.631 nan 8.230 nan 0.000 0.429 892 I N 7.042 127.550 120.570 -0.102 0.000 2.382 892 I HA 0.364 4.534 4.170 -0.000 0.000 0.286 892 I C -2.108 173.983 176.117 -0.043 0.000 1.002 892 I CA -1.927 59.333 61.300 -0.068 0.000 1.135 892 I CB 1.942 39.913 38.000 -0.047 0.000 1.288 892 I HN 0.381 nan 8.210 nan 0.000 0.448 893 P HA 0.046 nan 4.420 nan 0.000 0.274 893 P C 0.178 177.485 177.300 0.013 0.000 1.246 893 P CA -0.265 62.831 63.100 -0.007 0.000 0.795 893 P CB 0.878 32.578 31.700 -0.001 0.000 1.006 894 Q N 0.571 120.379 119.800 0.013 0.000 2.297 894 Q HA -0.112 4.227 4.340 -0.000 0.000 0.208 894 Q C 1.489 177.526 176.000 0.061 0.000 0.981 894 Q CA 1.564 57.384 55.803 0.029 0.000 0.876 894 Q CB -0.251 28.494 28.738 0.011 0.000 0.921 894 Q HN 0.349 nan 8.270 nan 0.000 0.446 895 V N -2.405 117.544 119.914 0.058 0.000 2.453 895 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 895 V C 0.902 177.084 176.094 0.147 0.000 1.048 895 V CA 2.007 64.359 62.300 0.086 0.000 1.049 895 V CB -0.513 31.344 31.823 0.057 0.000 0.672 895 V HN 0.185 nan 8.190 nan 0.000 0.457 896 D N -0.373 120.102 120.400 0.125 0.000 2.305 896 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 896 D C 1.071 177.492 176.300 0.201 0.000 0.974 896 D CA 0.217 54.316 54.000 0.165 0.000 0.871 896 D CB -0.151 40.734 40.800 0.141 0.000 0.947 896 D HN 0.242 nan 8.370 nan 0.000 0.516 897 M N 1.866 121.534 119.600 0.113 0.000 2.252 897 M HA 0.098 4.578 4.480 -0.000 0.000 0.329 897 M C -2.265 174.086 176.300 0.085 0.000 1.101 897 M CA -1.276 54.024 55.300 0.001 0.000 1.117 897 M CB -0.122 32.482 32.600 0.006 0.000 1.563 897 M HN -0.135 nan 8.290 nan 0.000 0.445 898 P HA 0.170 nan 4.420 nan 0.000 0.280 898 P C -1.435 175.908 177.300 0.071 0.000 1.300 898 P CA -0.107 63.008 63.100 0.026 0.000 0.785 898 P CB -0.540 31.207 31.700 0.077 0.000 0.874 899 Y N 1.092 121.457 120.300 0.108 0.000 2.334 899 Y HA 0.579 5.129 4.550 -0.000 0.000 0.328 899 Y C 0.720 176.618 175.900 -0.005 0.000 1.130 899 Y CA -1.262 56.867 58.100 0.048 0.000 1.163 899 Y CB -0.022 38.465 38.460 0.045 0.000 1.207 899 Y HN 0.302 nan 8.280 nan 0.000 0.471 900 T N -0.386 114.179 114.554 0.018 0.000 2.849 900 T HA 0.092 4.442 4.350 -0.000 0.000 0.284 900 T C 1.243 176.024 174.700 0.135 0.000 1.004 900 T CA -0.234 61.836 62.100 -0.050 0.000 1.021 900 T CB 1.433 70.145 68.868 -0.261 0.000 1.013 900 T HN 1.036 nan 8.240 nan 0.000 0.527 901 V N -0.004 119.981 119.914 0.119 0.000 2.418 901 V HA -0.146 3.974 4.120 -0.000 0.000 0.258 901 V C 1.174 177.303 176.094 0.059 0.000 1.088 901 V CA 1.979 64.333 62.300 0.090 0.000 1.091 901 V CB -0.664 31.212 31.823 0.089 0.000 0.669 901 V HN 0.902 nan 8.190 nan 0.000 0.461 902 K N -0.795 119.647 120.400 0.070 0.000 2.877 902 K HA 0.386 4.705 4.320 -0.000 0.000 0.176 902 K C 0.816 177.437 176.600 0.035 0.000 1.075 902 K CA 0.404 56.723 56.287 0.053 0.000 0.939 902 K CB 0.092 32.649 32.500 0.094 0.000 1.237 902 K HN 0.606 nan 8.250 nan 0.000 0.607 903 G N 0.545 109.348 108.800 0.005 0.000 2.270 903 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.268 903 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.268 903 G C 0.308 175.219 174.900 0.018 0.000 0.982 903 G CA 0.631 45.717 45.100 -0.024 0.000 0.628 903 G HN 0.345 nan 8.290 nan 0.000 0.544 904 V N 0.530 120.473 119.914 0.048 0.000 2.614 904 V HA 0.580 4.700 4.120 -0.000 0.000 0.291 904 V C 0.675 176.861 176.094 0.154 0.000 1.049 904 V CA -0.192 62.155 62.300 0.079 0.000 1.038 904 V CB 1.662 33.514 31.823 0.048 0.000 0.980 904 V HN 0.259 nan 8.190 nan 0.000 0.481 905 V N 6.369 126.403 119.914 0.199 0.000 2.962 905 V HA 0.554 4.674 4.120 -0.000 0.000 0.313 905 V C -2.369 173.857 176.094 0.219 0.000 1.099 905 V CA -1.830 60.616 62.300 0.244 0.000 0.971 905 V CB 2.940 34.847 31.823 0.141 0.000 1.028 905 V HN 0.790 nan 8.190 nan 0.000 0.430 906 P HA 0.388 nan 4.420 nan 0.000 0.279 906 P C -0.551 176.689 177.300 -0.101 0.000 1.252 906 P CA -0.211 62.809 63.100 -0.133 0.000 0.811 906 P CB 0.953 32.439 31.700 -0.357 0.000 1.035 907 D N 0.220 120.552 120.400 -0.113 0.000 2.388 907 D HA 0.225 4.865 4.640 -0.000 0.000 0.208 907 D C 0.486 176.700 176.300 -0.142 0.000 1.035 907 D CA 0.874 54.825 54.000 -0.082 0.000 0.875 907 D CB 0.694 41.482 40.800 -0.019 0.000 0.984 907 D HN 0.289 nan 8.370 nan 0.000 0.508 908 I N 1.058 121.512 120.570 -0.194 0.000 2.649 908 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 908 I C -1.323 174.645 176.117 -0.247 0.000 1.222 908 I CA -0.486 60.652 61.300 -0.270 0.000 1.046 908 I CB 2.851 40.637 38.000 -0.357 0.000 1.272 908 I HN -0.334 nan 8.210 nan 0.000 0.425 909 I N 6.968 127.403 120.570 -0.226 0.000 2.428 909 I HA 0.296 4.466 4.170 -0.000 0.000 0.279 909 I C -0.143 175.910 176.117 -0.105 0.000 1.040 909 I CA -0.422 60.778 61.300 -0.167 0.000 1.171 909 I CB 1.297 39.202 38.000 -0.159 0.000 1.312 909 I HN 0.344 nan 8.210 nan 0.000 0.470 910 L N 5.359 126.539 121.223 -0.071 0.000 2.456 910 L HA 0.232 4.571 4.340 -0.000 0.000 0.272 910 L C 0.091 176.965 176.870 0.007 0.000 1.189 910 L CA 0.190 55.022 54.840 -0.013 0.000 0.846 910 L CB 0.885 42.969 42.059 0.042 0.000 1.111 910 L HN 0.649 nan 8.230 nan 0.000 0.475 911 N N 5.023 123.743 118.700 0.034 0.000 2.408 911 N HA 0.236 4.975 4.740 -0.000 0.000 0.257 911 N C -1.843 173.696 175.510 0.048 0.000 1.064 911 N CA -1.311 51.779 53.050 0.067 0.000 0.952 911 N CB 1.268 39.818 38.487 0.104 0.000 1.093 911 N HN 0.382 nan 8.380 nan 0.000 0.490 912 P HA -0.227 nan 4.420 nan 0.000 0.221 912 P C 0.485 177.703 177.300 -0.138 0.000 1.141 912 P CA 1.205 64.248 63.100 -0.095 0.000 0.794 912 P CB 0.064 31.683 31.700 -0.136 0.000 0.764 913 H N -1.106 117.959 119.070 -0.008 0.000 2.423 913 H HA 0.079 4.635 4.556 -0.000 0.000 0.297 913 H C 1.841 177.164 175.328 -0.009 0.000 1.075 913 H CA 1.416 57.459 56.048 -0.008 0.000 1.342 913 H CB -0.353 29.407 29.762 -0.002 0.000 1.395 913 H HN 0.102 nan 8.280 nan 0.000 0.530 914 A N 0.718 123.595 122.820 0.095 0.000 2.172 914 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 914 A C 2.201 179.795 177.584 0.017 0.000 1.154 914 A CA 0.464 52.536 52.037 0.058 0.000 0.701 914 A CB -0.320 18.714 19.000 0.056 0.000 0.789 914 A HN 0.095 nan 8.150 nan 0.000 0.465 915 L N 0.491 121.704 121.223 -0.017 0.000 1.947 915 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 915 L C -0.343 176.503 176.870 -0.040 0.000 1.098 915 L CA 1.986 56.796 54.840 -0.049 0.000 0.767 915 L CB -1.506 40.497 42.059 -0.094 0.000 0.891 915 L HN 0.159 nan 8.230 nan 0.000 0.436 916 P HA -0.155 nan 4.420 nan 0.000 0.216 916 P C 1.723 179.012 177.300 -0.019 0.000 1.150 916 P CA 2.054 65.133 63.100 -0.035 0.000 0.837 916 P CB -0.198 31.480 31.700 -0.036 0.000 0.786 917 S N -0.334 115.362 115.700 -0.006 0.000 2.399 917 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 917 S C 1.781 176.376 174.600 -0.007 0.000 1.022 917 S CA 0.787 58.988 58.200 0.002 0.000 0.983 917 S CB -0.703 62.507 63.200 0.017 0.000 0.803 917 S HN 0.030 nan 8.310 nan 0.000 0.480 918 R N 1.026 121.518 120.500 -0.013 0.000 2.362 918 R HA 0.385 4.725 4.340 -0.000 0.000 0.227 918 R C 0.323 176.600 176.300 -0.039 0.000 0.905 918 R CA -0.027 56.057 56.100 -0.027 0.000 1.067 918 R CB -1.095 29.195 30.300 -0.017 0.000 1.078 918 R HN 0.660 nan 8.270 nan 0.000 0.516 919 M N 1.624 121.205 119.600 -0.031 0.000 2.592 919 M HA -0.181 4.299 4.480 -0.000 0.000 0.174 919 M C -0.647 175.637 176.300 -0.026 0.000 1.069 919 M CA 1.219 56.502 55.300 -0.029 0.000 0.619 919 M CB -2.031 30.556 32.600 -0.023 0.000 1.146 919 M HN 0.040 nan 8.290 nan 0.000 0.822 920 T N -0.731 113.805 114.554 -0.030 0.000 3.155 920 T HA 0.637 4.986 4.350 -0.000 0.000 0.384 920 T C 0.408 175.086 174.700 -0.038 0.000 1.351 920 T CA -1.170 60.922 62.100 -0.013 0.000 1.198 920 T CB 1.230 70.090 68.868 -0.013 0.000 1.106 920 T HN 0.347 nan 8.240 nan 0.000 0.564 921 L N 1.854 123.074 121.223 -0.005 0.000 2.440 921 L HA 0.433 4.773 4.340 -0.000 0.000 0.184 921 L C 2.201 179.027 176.870 -0.073 0.000 1.111 921 L CA 1.760 56.578 54.840 -0.036 0.000 0.910 921 L CB -1.197 40.887 42.059 0.041 0.000 1.455 921 L HN 0.975 nan 8.230 nan 0.000 0.523 922 G N -0.611 108.103 108.800 -0.143 0.000 2.322 922 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.264 922 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.264 922 G C 1.161 175.881 174.900 -0.301 0.000 0.992 922 G CA 1.213 46.242 45.100 -0.118 0.000 0.624 922 G HN 0.624 nan 8.290 nan 0.000 0.543 923 Q N 0.124 119.584 119.800 -0.567 0.000 2.163 923 Q HA 0.220 4.560 4.340 -0.000 0.000 0.198 923 Q C 2.751 178.610 176.000 -0.235 0.000 0.954 923 Q CA 1.235 56.676 55.803 -0.603 0.000 0.851 923 Q CB -0.164 28.277 28.738 -0.496 0.000 0.928 923 Q HN 0.624 nan 8.270 nan 0.000 0.459 924 I N 0.207 120.640 120.570 -0.228 0.000 2.226 924 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 924 I C 2.231 178.363 176.117 0.024 0.000 1.100 924 I CA 1.323 62.525 61.300 -0.163 0.000 1.374 924 I CB -0.813 37.065 38.000 -0.204 0.000 1.057 924 I HN 0.391 nan 8.210 nan 0.000 0.413 925 M N 0.285 119.815 119.600 -0.117 0.000 2.099 925 M HA -0.171 4.308 4.480 -0.000 0.000 0.262 925 M C 2.292 178.630 176.300 0.062 0.000 1.067 925 M CA 1.566 56.752 55.300 -0.190 0.000 1.124 925 M CB -0.548 31.625 32.600 -0.711 0.000 1.353 925 M HN 0.184 nan 8.290 nan 0.000 0.410 926 E N 0.406 120.711 120.200 0.175 0.000 2.130 926 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 926 E C 2.029 178.744 176.600 0.192 0.000 0.998 926 E CA 1.552 58.115 56.400 0.272 0.000 0.806 926 E CB -0.116 29.718 29.700 0.223 0.000 0.738 926 E HN 0.584 nan 8.360 nan 0.000 0.459 927 G N 0.693 109.604 108.800 0.185 0.000 2.408 927 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 927 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 927 G C 1.606 176.572 174.900 0.109 0.000 1.156 927 G CA 0.370 45.590 45.100 0.200 0.000 0.793 927 G HN 0.172 nan 8.290 nan 0.000 0.535 928 I N 1.469 122.121 120.570 0.138 0.000 2.202 928 I HA -0.122 4.048 4.170 -0.000 0.000 0.242 928 I C 3.307 179.487 176.117 0.105 0.000 1.091 928 I CA 0.925 62.270 61.300 0.074 0.000 1.368 928 I CB -0.273 37.781 38.000 0.089 0.000 1.058 928 I HN 0.213 nan 8.210 nan 0.000 0.410 929 A N 1.177 124.089 122.820 0.153 0.000 1.903 929 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 929 A C 2.444 180.119 177.584 0.152 0.000 1.191 929 A CA 2.236 54.395 52.037 0.203 0.000 0.638 929 A CB -1.682 17.485 19.000 0.279 0.000 0.823 929 A HN 0.489 nan 8.150 nan 0.000 0.451 930 G N -0.891 107.977 108.800 0.114 0.000 2.479 930 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 930 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 930 G C 1.591 176.504 174.900 0.021 0.000 1.115 930 G CA 1.573 46.714 45.100 0.068 0.000 0.757 930 G HN 0.558 nan 8.290 nan 0.000 0.560 931 K N -0.269 120.144 120.400 0.022 0.000 1.980 931 K HA -0.019 4.300 4.320 -0.000 0.000 0.208 931 K C 0.968 177.558 176.600 -0.017 0.000 1.043 931 K CA 0.086 56.362 56.287 -0.017 0.000 0.938 931 K CB -0.475 32.012 32.500 -0.023 0.000 0.724 931 K HN 0.221 nan 8.250 nan 0.000 0.438 932 Y N 0.368 120.624 120.300 -0.073 0.000 2.529 932 Y HA 0.209 4.759 4.550 -0.000 0.000 0.342 932 Y C 0.080 175.921 175.900 -0.099 0.000 1.249 932 Y CA 0.285 58.303 58.100 -0.138 0.000 1.810 932 Y CB -0.285 38.118 38.460 -0.094 0.000 1.653 932 Y HN 0.263 nan 8.280 nan 0.000 0.451 933 A N 2.871 125.449 122.820 -0.403 0.000 2.011 933 A HA 0.237 4.557 4.320 -0.000 0.000 0.183 933 A C 1.344 178.794 177.584 -0.223 0.000 2.000 933 A CA 0.336 52.191 52.037 -0.304 0.000 1.623 933 A CB -1.104 17.838 19.000 -0.097 0.000 1.510 933 A HN 0.749 nan 8.150 nan 0.000 0.297 934 A N -0.219 122.508 122.820 -0.156 0.000 2.195 934 A HA 0.547 4.867 4.320 -0.000 0.000 0.210 934 A C 1.749 179.273 177.584 -0.101 0.000 1.165 934 A CA 1.081 53.061 52.037 -0.096 0.000 0.806 934 A CB -0.324 18.646 19.000 -0.050 0.000 0.847 934 A HN 0.426 nan 8.150 nan 0.000 0.482 935 L N -0.498 120.610 121.223 -0.192 0.000 2.269 935 L HA -0.022 4.318 4.340 -0.000 0.000 0.200 935 L C 2.743 179.430 176.870 -0.304 0.000 1.069 935 L CA 1.323 56.066 54.840 -0.163 0.000 0.804 935 L CB -0.235 41.729 42.059 -0.158 0.000 0.987 935 L HN 0.463 nan 8.230 nan 0.000 0.468 936 S N -0.968 114.308 115.700 -0.706 0.000 2.425 936 S HA 0.155 4.625 4.470 -0.000 0.000 0.225 936 S C 1.615 176.083 174.600 -0.219 0.000 1.024 936 S CA 0.654 58.491 58.200 -0.604 0.000 0.951 936 S CB 0.580 63.116 63.200 -1.107 0.000 0.796 936 S HN 0.521 nan 8.310 nan 0.000 0.498 937 G N 2.459 111.109 108.800 -0.250 0.000 2.313 937 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.215 937 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.215 937 G C -0.061 174.770 174.900 -0.114 0.000 1.023 937 G CA -0.133 44.896 45.100 -0.117 0.000 0.626 937 G HN 0.722 nan 8.290 nan 0.000 0.503 938 N N 1.239 119.846 118.700 -0.154 0.000 2.513 938 N HA 0.492 5.232 4.740 -0.000 0.000 0.274 938 N C -0.524 174.924 175.510 -0.104 0.000 1.189 938 N CA -0.263 52.735 53.050 -0.085 0.000 0.975 938 N CB 1.586 40.059 38.487 -0.022 0.000 1.157 938 N HN 0.162 nan 8.380 nan 0.000 0.465 939 I N 1.257 121.804 120.570 -0.039 0.000 2.291 939 I HA 0.014 4.184 4.170 -0.000 0.000 0.292 939 I C 0.632 176.755 176.117 0.010 0.000 1.064 939 I CA -0.692 60.591 61.300 -0.028 0.000 1.269 939 I CB 0.996 38.983 38.000 -0.022 0.000 1.418 939 I HN 0.356 nan 8.210 nan 0.000 0.485 940 V N 7.167 127.109 119.914 0.046 0.000 2.599 940 V HA 0.040 4.160 4.120 -0.000 0.000 0.300 940 V C 0.273 176.378 176.094 0.017 0.000 1.034 940 V CA 0.036 62.407 62.300 0.118 0.000 1.115 940 V CB 0.850 32.820 31.823 0.246 0.000 0.934 940 V HN 0.824 nan 8.190 nan 0.000 0.485 941 D N 5.582 125.978 120.400 -0.006 0.000 2.264 941 D HA 0.533 5.172 4.640 -0.000 0.000 0.249 941 D C -0.480 175.674 176.300 -0.242 0.000 1.070 941 D CA -0.013 53.917 54.000 -0.117 0.000 0.912 941 D CB 1.916 42.653 40.800 -0.105 0.000 1.193 941 D HN 0.922 nan 8.370 nan 0.000 0.427 942 A N 2.923 125.483 122.820 -0.434 0.000 2.410 942 A HA 0.546 4.866 4.320 -0.000 0.000 0.289 942 A C -0.626 176.589 177.584 -0.615 0.000 1.200 942 A CA -0.608 50.944 52.037 -0.809 0.000 0.751 942 A CB 1.228 19.404 19.000 -1.372 0.000 1.161 942 A HN 0.491 nan 8.150 nan 0.000 0.459 943 T N 2.656 116.909 114.554 -0.501 0.000 2.916 943 T HA 0.510 4.859 4.350 -0.000 0.000 0.292 943 T C -2.559 172.007 174.700 -0.223 0.000 1.055 943 T CA -1.360 60.544 62.100 -0.326 0.000 1.009 943 T CB 1.784 70.508 68.868 -0.241 0.000 1.118 943 T HN 0.205 nan 8.240 nan 0.000 0.497 944 P HA 0.230 nan 4.420 nan 0.000 0.299 944 P C -0.466 176.959 177.300 0.208 0.000 1.515 944 P CA 0.616 63.708 63.100 -0.013 0.000 0.770 944 P CB -0.329 31.285 31.700 -0.143 0.000 1.614 945 F N -3.716 116.195 119.950 -0.066 0.000 3.282 945 F HA 0.160 4.686 4.527 -0.000 0.000 0.313 945 F C -0.357 175.540 175.800 0.162 0.000 1.217 945 F CA -0.383 57.653 58.000 0.061 0.000 0.737 945 F CB -0.627 38.376 39.000 0.005 0.000 1.813 945 F HN -0.198 nan 8.300 nan 0.000 0.462 946 Y N 0.259 120.614 120.300 0.092 0.000 2.523 946 Y HA -0.285 4.265 4.550 -0.000 0.000 0.023 946 Y C 0.933 176.848 175.900 0.026 0.000 1.721 946 Y CA 0.418 58.544 58.100 0.045 0.000 1.408 946 Y CB -0.012 38.464 38.460 0.026 0.000 2.055 946 Y HN 0.080 nan 8.280 nan 0.000 0.256 947 K N 0.439 121.104 120.400 0.442 0.000 2.225 947 K HA 0.258 4.577 4.320 -0.000 0.000 0.204 947 K C -0.358 176.401 176.600 0.265 0.000 1.047 947 K CA 1.658 58.107 56.287 0.270 0.000 0.970 947 K CB 0.582 33.176 32.500 0.156 0.000 0.939 947 K HN 0.607 nan 8.250 nan 0.000 0.472 948 T N 3.836 118.606 114.554 0.360 0.000 3.422 948 T HA 0.228 4.578 4.350 -0.000 0.000 0.327 948 T C -2.923 171.660 174.700 -0.196 0.000 0.840 948 T CA -1.126 61.002 62.100 0.047 0.000 1.126 948 T CB 1.706 70.590 68.868 0.026 0.000 1.008 948 T HN 0.109 nan 8.240 nan 0.000 0.485 949 P HA 0.032 nan 4.420 nan 0.000 0.261 949 P C 1.470 178.513 177.300 -0.428 0.000 1.165 949 P CA -0.087 62.382 63.100 -1.051 0.000 0.759 949 P CB 0.428 31.728 31.700 -0.667 0.000 0.772 950 I N 2.542 122.954 120.570 -0.264 0.000 2.130 950 I HA -0.412 3.758 4.170 -0.000 0.000 0.241 950 I C 1.970 178.026 176.117 -0.101 0.000 1.023 950 I CA 1.927 63.177 61.300 -0.084 0.000 1.293 950 I CB -1.619 36.327 38.000 -0.090 0.000 1.001 950 I HN 0.325 nan 8.210 nan 0.000 0.407 951 E N 1.306 121.437 120.200 -0.114 0.000 2.312 951 E HA -0.349 4.001 4.350 -0.000 0.000 0.209 951 E C 1.979 178.526 176.600 -0.088 0.000 1.047 951 E CA 2.241 58.589 56.400 -0.087 0.000 0.840 951 E CB -0.785 28.860 29.700 -0.091 0.000 0.738 951 E HN 0.784 nan 8.360 nan 0.000 0.478 952 Q N -0.057 119.670 119.800 -0.122 0.000 2.226 952 Q HA 0.111 4.451 4.340 -0.000 0.000 0.199 952 Q C 2.648 178.541 176.000 -0.178 0.000 0.945 952 Q CA 0.356 56.081 55.803 -0.131 0.000 0.861 952 Q CB 0.071 28.723 28.738 -0.143 0.000 0.953 952 Q HN 0.279 nan 8.270 nan 0.000 0.490 953 L N 0.806 121.901 121.223 -0.213 0.000 2.046 953 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 953 L C 2.430 179.220 176.870 -0.133 0.000 1.077 953 L CA 1.298 55.941 54.840 -0.330 0.000 0.747 953 L CB -0.663 41.277 42.059 -0.198 0.000 0.896 953 L HN 0.238 nan 8.230 nan 0.000 0.432 954 Q N 0.177 119.945 119.800 -0.053 0.000 2.133 954 Q HA -0.240 4.100 4.340 -0.000 0.000 0.208 954 Q C 2.058 178.069 176.000 0.019 0.000 0.991 954 Q CA 1.754 57.560 55.803 0.004 0.000 0.867 954 Q CB -0.341 28.397 28.738 0.001 0.000 0.911 954 Q HN 0.517 nan 8.270 nan 0.000 0.417 955 N N 0.344 119.039 118.700 -0.010 0.000 2.120 955 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 955 N C 1.557 177.104 175.510 0.062 0.000 1.024 955 N CA 1.016 54.075 53.050 0.014 0.000 0.852 955 N CB -0.097 38.384 38.487 -0.010 0.000 1.003 955 N HN 0.273 nan 8.380 nan 0.000 0.424 956 E N 0.767 121.002 120.200 0.058 0.000 2.107 956 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 956 E C 2.068 178.897 176.600 0.381 0.000 0.982 956 E CA 0.511 57.043 56.400 0.220 0.000 0.809 956 E CB -0.107 29.689 29.700 0.160 0.000 0.756 956 E HN 0.555 nan 8.360 nan 0.000 0.459 957 I N -0.414 120.308 120.570 0.254 0.000 2.614 957 I HA -0.148 4.021 4.170 -0.000 0.000 0.258 957 I C 2.579 178.852 176.117 0.260 0.000 1.189 957 I CA 0.663 62.134 61.300 0.285 0.000 1.462 957 I CB -0.471 37.656 38.000 0.211 0.000 1.092 957 I HN -0.020 nan 8.210 nan 0.000 0.442 958 L N 1.289 122.619 121.223 0.177 0.000 2.027 958 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 958 L C 2.914 179.842 176.870 0.095 0.000 1.074 958 L CA 1.369 56.277 54.840 0.113 0.000 0.745 958 L CB -0.178 41.925 42.059 0.073 0.000 0.898 958 L HN 0.071 nan 8.230 nan 0.000 0.433 959 R N -1.158 119.415 120.500 0.122 0.000 2.096 959 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 959 R C 2.006 178.323 176.300 0.029 0.000 1.127 959 R CA 1.760 57.895 56.100 0.059 0.000 0.968 959 R CB -0.649 29.683 30.300 0.053 0.000 0.861 959 R HN 0.382 nan 8.270 nan 0.000 0.440 960 Y N -0.842 119.490 120.300 0.053 0.000 2.574 960 Y HA 0.034 4.583 4.550 -0.000 0.000 0.294 960 Y C 1.378 177.250 175.900 -0.048 0.000 1.142 960 Y CA 1.368 59.503 58.100 0.058 0.000 1.314 960 Y CB 0.342 38.892 38.460 0.150 0.000 0.991 960 Y HN 0.315 nan 8.280 nan 0.000 0.555 961 G N -1.643 107.139 108.800 -0.031 0.000 2.155 961 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.135 961 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.135 961 G C -0.658 173.714 174.900 -0.880 0.000 1.023 961 G CA -0.588 44.281 45.100 -0.385 0.000 0.688 961 G HN 0.287 nan 8.290 nan 0.000 0.499 962 Y N -1.185 119.163 120.300 0.081 0.000 2.562 962 Y HA 0.621 5.171 4.550 -0.000 0.000 0.345 962 Y C 0.720 176.647 175.900 0.044 0.000 1.045 962 Y CA -1.343 56.788 58.100 0.051 0.000 1.028 962 Y CB 1.229 39.717 38.460 0.045 0.000 1.297 962 Y HN 0.095 nan 8.280 nan 0.000 0.463 963 L N 4.011 125.357 121.223 0.205 0.000 2.499 963 L HA 0.083 4.423 4.340 -0.000 0.000 0.273 963 L C -1.613 175.319 176.870 0.103 0.000 1.195 963 L CA -1.094 53.815 54.840 0.115 0.000 0.882 963 L CB 0.154 42.268 42.059 0.092 0.000 1.133 963 L HN 0.484 nan 8.230 nan 0.000 0.483 964 P HA -0.177 nan 4.420 nan 0.000 0.217 964 P C 0.178 177.513 177.300 0.059 0.000 1.151 964 P CA 1.324 64.462 63.100 0.064 0.000 0.849 964 P CB 0.151 31.878 31.700 0.045 0.000 0.787 965 D N -2.055 118.382 120.400 0.062 0.000 2.894 965 D HA 0.414 5.053 4.640 -0.000 0.000 0.248 965 D C 0.853 177.193 176.300 0.067 0.000 1.291 965 D CA 0.128 54.174 54.000 0.078 0.000 0.840 965 D CB -0.875 39.977 40.800 0.088 0.000 1.044 965 D HN -0.058 nan 8.370 nan 0.000 0.484 966 A N -0.227 122.602 122.820 0.015 0.000 3.292 966 A HA -0.278 4.041 4.320 -0.000 0.000 0.273 966 A C 1.166 178.684 177.584 -0.109 0.000 1.153 966 A CA 1.738 53.716 52.037 -0.099 0.000 0.998 966 A CB -2.360 16.462 19.000 -0.297 0.000 0.977 966 A HN 0.389 nan 8.150 nan 0.000 0.707 967 T N -0.990 113.574 114.554 0.016 0.000 2.926 967 T HA 0.522 4.872 4.350 -0.000 0.000 0.307 967 T C -0.102 174.628 174.700 0.050 0.000 1.059 967 T CA 0.339 62.479 62.100 0.067 0.000 1.122 967 T CB 1.519 70.443 68.868 0.093 0.000 0.972 967 T HN 0.516 nan 8.240 nan 0.000 0.545 968 E N 0.134 120.355 120.200 0.034 0.000 2.331 968 E HA 0.440 4.790 4.350 -0.000 0.000 0.275 968 E C -1.289 175.277 176.600 -0.058 0.000 0.895 968 E CA -0.943 55.440 56.400 -0.029 0.000 0.753 968 E CB 2.823 32.425 29.700 -0.163 0.000 1.216 968 E HN 0.483 nan 8.360 nan 0.000 0.434 969 V N 3.963 123.860 119.914 -0.029 0.000 2.470 969 V HA 0.295 4.415 4.120 -0.000 0.000 0.276 969 V C -0.288 175.770 176.094 -0.060 0.000 1.040 969 V CA 0.062 62.341 62.300 -0.036 0.000 1.008 969 V CB 0.634 32.463 31.823 0.009 0.000 0.990 969 V HN 0.449 nan 8.190 nan 0.000 0.477 970 V N 5.815 125.658 119.914 -0.119 0.000 3.046 970 V HA 0.685 4.805 4.120 -0.000 0.000 0.316 970 V C -1.349 174.614 176.094 -0.219 0.000 1.104 970 V CA -0.928 61.299 62.300 -0.122 0.000 1.006 970 V CB 2.060 33.782 31.823 -0.170 0.000 1.058 970 V HN 0.703 nan 8.190 nan 0.000 0.440 971 Y N 0.704 120.757 120.300 -0.412 0.000 2.335 971 Y HA 0.451 5.001 4.550 -0.000 0.000 0.338 971 Y C 0.359 175.928 175.900 -0.551 0.000 0.977 971 Y CA -0.559 57.208 58.100 -0.555 0.000 1.114 971 Y CB 1.427 39.407 38.460 -0.801 0.000 1.182 971 Y HN 0.812 nan 8.280 nan 0.000 0.463 972 D N 3.147 123.452 120.400 -0.158 0.000 2.540 972 D HA 0.014 4.654 4.640 -0.000 0.000 0.237 972 D C 1.484 177.810 176.300 0.044 0.000 1.181 972 D CA 0.529 54.535 54.000 0.010 0.000 1.119 972 D CB 0.273 41.090 40.800 0.028 0.000 1.119 972 D HN 0.946 nan 8.370 nan 0.000 0.498 973 G N 3.559 112.387 108.800 0.046 0.000 2.562 973 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.223 973 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.223 973 G C 1.475 176.513 174.900 0.230 0.000 1.102 973 G CA 0.835 46.098 45.100 0.271 0.000 0.742 973 G HN 0.605 nan 8.290 nan 0.000 0.587 974 R N -0.161 120.451 120.500 0.187 0.000 2.328 974 R HA 0.050 4.390 4.340 -0.000 0.000 0.207 974 R C 1.856 178.217 176.300 0.101 0.000 1.056 974 R CA 1.744 57.927 56.100 0.139 0.000 1.016 974 R CB -0.406 29.973 30.300 0.132 0.000 0.872 974 R HN 0.413 nan 8.270 nan 0.000 0.471 975 T N -3.631 110.986 114.554 0.105 0.000 3.254 975 T HA 0.291 4.641 4.350 -0.000 0.000 0.267 975 T C 1.306 176.072 174.700 0.111 0.000 0.946 975 T CA 0.878 63.028 62.100 0.083 0.000 0.991 975 T CB 0.580 69.478 68.868 0.050 0.000 1.205 975 T HN 0.357 nan 8.240 nan 0.000 0.494 976 G N 1.794 110.680 108.800 0.143 0.000 2.259 976 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 976 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 976 G C 0.147 175.191 174.900 0.241 0.000 1.001 976 G CA 0.261 45.485 45.100 0.207 0.000 0.627 976 G HN 1.031 nan 8.290 nan 0.000 0.501 977 Q N 1.394 121.269 119.800 0.125 0.000 2.421 977 Q HA 0.447 4.787 4.340 -0.000 0.000 0.255 977 Q C 0.323 176.259 176.000 -0.106 0.000 1.013 977 Q CA 0.266 56.105 55.803 0.061 0.000 0.895 977 Q CB 0.593 29.336 28.738 0.008 0.000 1.271 977 Q HN 0.653 nan 8.270 nan 0.000 0.460 978 K N 1.302 121.482 120.400 -0.365 0.000 2.185 978 K HA 0.341 4.661 4.320 -0.000 0.000 0.271 978 K C 0.054 176.421 176.600 -0.389 0.000 1.013 978 K CA -0.793 54.987 56.287 -0.844 0.000 0.943 978 K CB 0.495 32.277 32.500 -1.196 0.000 0.998 978 K HN 0.601 nan 8.250 nan 0.000 0.468 979 I N -0.550 119.824 120.570 -0.328 0.000 3.494 979 I HA 0.027 4.197 4.170 -0.000 0.000 0.266 979 I C 0.943 176.977 176.117 -0.138 0.000 1.264 979 I CA -0.000 61.206 61.300 -0.156 0.000 1.230 979 I CB 0.333 38.286 38.000 -0.079 0.000 1.420 979 I HN 0.817 nan 8.210 nan 0.000 0.675 980 K N -0.513 119.843 120.400 -0.074 0.000 2.367 980 K HA 0.282 4.602 4.320 -0.000 0.000 0.195 980 K C 0.640 177.218 176.600 -0.037 0.000 1.060 980 K CA 0.360 56.612 56.287 -0.058 0.000 1.022 980 K CB 0.419 32.895 32.500 -0.040 0.000 0.894 980 K HN 0.741 nan 8.250 nan 0.000 0.540 981 S N 0.407 116.094 115.700 -0.022 0.000 2.941 981 S HA 0.267 4.737 4.470 -0.000 0.000 0.251 981 S C -0.920 173.688 174.600 0.014 0.000 1.029 981 S CA -0.433 57.766 58.200 -0.002 0.000 1.062 981 S CB 0.386 63.590 63.200 0.007 0.000 0.977 981 S HN 0.283 nan 8.310 nan 0.000 0.552 982 R N 0.581 121.084 120.500 0.004 0.000 3.824 982 R HA -0.121 4.219 4.340 -0.000 0.000 0.502 982 R C -1.218 175.124 176.300 0.070 0.000 0.241 982 R CA 0.837 56.952 56.100 0.025 0.000 1.568 982 R CB -0.459 29.864 30.300 0.039 0.000 1.045 982 R HN 0.289 nan 8.270 nan 0.000 0.545 983 I N -0.022 120.619 120.570 0.119 0.000 2.731 983 I HA 0.067 4.237 4.170 -0.000 0.000 0.289 983 I C -0.903 175.391 176.117 0.295 0.000 1.399 983 I CA -0.492 60.937 61.300 0.215 0.000 1.048 983 I CB 1.457 39.638 38.000 0.301 0.000 1.345 983 I HN 0.632 nan 8.210 nan 0.000 0.425 984 Y N 6.055 126.443 120.300 0.147 0.000 2.632 984 Y HA 0.170 4.720 4.550 -0.000 0.000 0.329 984 Y C -0.746 175.271 175.900 0.196 0.000 1.174 984 Y CA 0.596 58.775 58.100 0.132 0.000 1.469 984 Y CB 0.316 38.806 38.460 0.050 0.000 1.242 984 Y HN 0.363 nan 8.280 nan 0.000 0.540 985 F N 5.949 125.679 119.950 -0.367 0.000 2.523 985 F HA 0.419 4.946 4.527 -0.000 0.000 0.322 985 F C 0.641 176.186 175.800 -0.424 0.000 1.361 985 F CA -0.685 57.158 58.000 -0.261 0.000 1.151 985 F CB 0.250 39.153 39.000 -0.162 0.000 1.391 985 F HN 0.681 nan 8.300 nan 0.000 0.566 986 G N 0.294 108.761 108.800 -0.555 0.000 2.588 986 G HA2 0.506 4.466 3.960 -0.000 0.000 0.281 986 G HA3 0.506 4.466 3.960 -0.000 0.000 0.281 986 G C -1.027 173.841 174.900 -0.053 0.000 1.236 986 G CA -0.447 44.453 45.100 -0.332 0.000 0.969 986 G HN 0.076 nan 8.290 nan 0.000 0.504 987 V N 0.041 119.969 119.914 0.022 0.000 2.409 987 V HA 0.483 4.603 4.120 -0.000 0.000 0.290 987 V C -0.355 175.819 176.094 0.133 0.000 1.017 987 V CA -0.637 61.703 62.300 0.067 0.000 0.841 987 V CB 1.167 33.017 31.823 0.045 0.000 1.003 987 V HN 0.463 nan 8.190 nan 0.000 0.426 988 V N 4.227 124.252 119.914 0.185 0.000 2.769 988 V HA 0.432 4.552 4.120 -0.000 0.000 0.312 988 V C -0.992 175.276 176.094 0.290 0.000 1.061 988 V CA -0.943 61.490 62.300 0.221 0.000 0.931 988 V CB 2.498 34.434 31.823 0.189 0.000 1.010 988 V HN 0.778 nan 8.190 nan 0.000 0.433 989 Y N 4.255 124.621 120.300 0.110 0.000 2.496 989 Y HA 0.366 4.915 4.550 -0.000 0.000 0.334 989 Y C -0.925 175.022 175.900 0.077 0.000 1.080 989 Y CA 0.033 58.207 58.100 0.124 0.000 1.355 989 Y CB 0.220 38.717 38.460 0.062 0.000 1.193 989 Y HN 0.556 nan 8.280 nan 0.000 0.523 990 Y N 5.169 125.418 120.300 -0.085 0.000 2.350 990 Y HA 0.299 4.849 4.550 -0.000 0.000 0.338 990 Y C -0.504 175.364 175.900 -0.052 0.000 0.961 990 Y CA -0.862 57.257 58.100 0.031 0.000 1.100 990 Y CB 1.417 39.978 38.460 0.170 0.000 1.179 990 Y HN 0.534 nan 8.280 nan 0.000 0.454 991 Q N 3.414 123.258 119.800 0.074 0.000 2.235 991 Q HA 0.409 4.748 4.340 -0.000 0.000 0.256 991 Q C -0.932 175.046 176.000 -0.037 0.000 0.951 991 Q CA -1.244 54.583 55.803 0.039 0.000 0.890 991 Q CB 2.420 31.198 28.738 0.067 0.000 1.279 991 Q HN 0.368 nan 8.270 nan 0.000 0.444 992 K N 2.924 123.218 120.400 -0.176 0.000 2.240 992 K HA 0.236 4.556 4.320 -0.000 0.000 0.271 992 K C -1.039 175.314 176.600 -0.411 0.000 1.018 992 K CA -0.537 55.327 56.287 -0.707 0.000 0.874 992 K CB 0.803 32.899 32.500 -0.673 0.000 1.098 992 K HN 0.528 nan 8.250 nan 0.000 0.458 993 L N 3.237 124.218 121.223 -0.403 0.000 2.490 993 L HA 0.199 4.539 4.340 -0.000 0.000 0.245 993 L C 1.438 178.229 176.870 -0.133 0.000 1.185 993 L CA 0.281 55.039 54.840 -0.137 0.000 0.813 993 L CB 0.316 42.382 42.059 0.012 0.000 1.233 993 L HN 0.799 nan 8.230 nan 0.000 0.489 994 H N -2.992 115.902 119.070 -0.294 0.000 2.538 994 H HA 0.215 4.771 4.556 -0.000 0.000 0.286 994 H C -0.177 174.954 175.328 -0.329 0.000 1.035 994 H CA 0.026 55.868 56.048 -0.344 0.000 1.169 994 H CB -0.446 29.013 29.762 -0.504 0.000 1.417 994 H HN 0.553 nan 8.280 nan 0.000 0.567 995 H N 1.115 120.040 119.070 -0.242 0.000 2.595 995 H HA 0.229 4.784 4.556 -0.000 0.000 0.264 995 H C -0.111 175.156 175.328 -0.102 0.000 1.503 995 H CA -0.406 55.507 56.048 -0.225 0.000 1.142 995 H CB -0.065 29.566 29.762 -0.219 0.000 1.554 995 H HN 0.357 nan 8.280 nan 0.000 0.501 996 M N -0.046 119.546 119.600 -0.013 0.000 2.228 996 M HA -0.013 4.467 4.480 -0.000 0.000 0.326 996 M C 1.448 177.744 176.300 -0.006 0.000 1.122 996 M CA -0.024 55.282 55.300 0.009 0.000 1.161 996 M CB 1.550 34.154 32.600 0.006 0.000 1.437 996 M HN 0.320 nan 8.290 nan 0.000 0.465 997 V N 1.995 121.912 119.914 0.004 0.000 2.407 997 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 997 V C 2.032 178.106 176.094 -0.033 0.000 1.041 997 V CA 2.366 64.664 62.300 -0.004 0.000 1.040 997 V CB -0.240 31.589 31.823 0.011 0.000 0.671 997 V HN 1.019 nan 8.190 nan 0.000 0.455 998 A N -0.412 122.377 122.820 -0.052 0.000 2.076 998 A HA -0.243 4.076 4.320 -0.000 0.000 0.220 998 A C 1.758 179.267 177.584 -0.125 0.000 1.160 998 A CA 1.947 53.935 52.037 -0.081 0.000 0.653 998 A CB -0.778 18.171 19.000 -0.084 0.000 0.801 998 A HN 0.634 nan 8.150 nan 0.000 0.455 999 D N 0.055 120.361 120.400 -0.156 0.000 2.309 999 D HA -0.048 4.592 4.640 -0.000 0.000 0.212 999 D C 0.781 177.013 176.300 -0.114 0.000 0.968 999 D CA 1.222 55.102 54.000 -0.201 0.000 0.882 999 D CB 0.080 40.735 40.800 -0.242 0.000 0.918 999 D HN 0.742 nan 8.370 nan 0.000 0.503 1000 K N -0.147 120.214 120.400 -0.065 0.000 2.426 1000 K HA 0.655 4.975 4.320 -0.000 0.000 0.251 1000 K C -1.039 175.556 176.600 -0.009 0.000 0.941 1000 K CA -0.999 55.276 56.287 -0.020 0.000 0.808 1000 K CB 2.967 35.479 32.500 0.021 0.000 1.265 1000 K HN -0.096 nan 8.250 nan 0.000 0.432 1001 L N 0.611 121.845 121.223 0.018 0.000 3.940 1001 L HA 0.171 4.511 4.340 -0.000 0.000 0.220 1001 L C -2.170 174.685 176.870 -0.026 0.000 1.024 1001 L CA -0.114 54.736 54.840 0.017 0.000 1.026 1001 L CB 1.374 43.413 42.059 -0.035 0.000 1.482 1001 L HN 0.914 nan 8.230 nan 0.000 0.390 1002 H N 3.463 122.556 119.070 0.037 0.000 2.791 1002 H HA 0.638 5.194 4.556 -0.000 0.000 0.272 1002 H C -0.230 175.139 175.328 0.068 0.000 1.188 1002 H CA 0.182 56.263 56.048 0.055 0.000 1.436 1002 H CB 1.799 31.585 29.762 0.041 0.000 1.467 1002 H HN 0.699 nan 8.280 nan 0.000 0.500 1003 A N 4.240 127.132 122.820 0.120 0.000 3.019 1003 A HA 0.107 4.426 4.320 -0.000 0.000 0.262 1003 A C 0.713 178.396 177.584 0.166 0.000 1.509 1003 A CA -0.125 52.006 52.037 0.157 0.000 1.159 1003 A CB -0.328 18.783 19.000 0.185 0.000 1.042 1003 A HN 0.364 nan 8.150 nan 0.000 0.641 1004 R N 0.424 121.006 120.500 0.137 0.000 2.388 1004 R HA 0.613 4.953 4.340 -0.000 0.000 0.314 1004 R C 0.294 176.629 176.300 0.057 0.000 0.959 1004 R CA 0.530 56.680 56.100 0.083 0.000 0.851 1004 R CB 1.386 31.742 30.300 0.093 0.000 1.168 1004 R HN 0.318 nan 8.270 nan 0.000 0.472 1005 A N 4.854 127.696 122.820 0.035 0.000 1.941 1005 A HA 0.288 4.608 4.320 -0.000 0.000 0.214 1005 A C 0.620 178.208 177.584 0.007 0.000 1.368 1005 A CA 0.339 52.389 52.037 0.021 0.000 0.651 1005 A CB 0.196 19.207 19.000 0.020 0.000 1.064 1005 A HN 0.558 nan 8.150 nan 0.000 0.492 1006 R N -1.558 118.943 120.500 0.003 0.000 2.778 1006 R HA 0.555 4.895 4.340 -0.000 0.000 0.277 1006 R C -0.435 175.858 176.300 -0.013 0.000 0.977 1006 R CA 0.332 56.428 56.100 -0.006 0.000 0.950 1006 R CB 2.019 32.316 30.300 -0.006 0.000 1.165 1006 R HN 0.660 nan 8.270 nan 0.000 0.474 1007 G N 2.061 110.850 108.800 -0.019 0.000 2.495 1007 G HA2 0.314 4.274 3.960 -0.000 0.000 0.294 1007 G HA3 0.314 4.274 3.960 -0.000 0.000 0.294 1007 G C -2.891 171.992 174.900 -0.028 0.000 1.397 1007 G CA -0.941 44.139 45.100 -0.032 0.000 0.790 1007 G HN 0.438 nan 8.290 nan 0.000 0.486 1008 P HA 0.347 nan 4.420 nan 0.000 0.266 1008 P C -0.091 177.198 177.300 -0.019 0.000 1.193 1008 P CA 0.145 63.231 63.100 -0.024 0.000 0.770 1008 P CB 1.135 32.821 31.700 -0.024 0.000 0.836 1009 V N -0.850 119.052 119.914 -0.021 0.000 2.841 1009 V HA 0.343 4.463 4.120 -0.000 0.000 0.310 1009 V C -0.254 175.828 176.094 -0.020 0.000 1.090 1009 V CA -1.229 61.058 62.300 -0.021 0.000 0.930 1009 V CB 1.886 33.687 31.823 -0.036 0.000 1.014 1009 V HN 0.294 nan 8.190 nan 0.000 0.425 1010 Q N 3.030 122.826 119.800 -0.006 0.000 2.308 1010 Q HA 0.114 4.454 4.340 -0.000 0.000 0.313 1010 Q C 1.430 177.423 176.000 -0.012 0.000 1.075 1010 Q CA 0.137 55.942 55.803 0.003 0.000 0.995 1010 Q CB 0.511 29.263 28.738 0.024 0.000 1.107 1010 Q HN 0.787 nan 8.270 nan 0.000 0.380 1011 I N 1.859 122.427 120.570 -0.004 0.000 2.185 1011 I HA -0.317 3.852 4.170 -0.000 0.000 0.246 1011 I C 1.842 177.963 176.117 0.006 0.000 1.088 1011 I CA 1.204 62.499 61.300 -0.008 0.000 1.347 1011 I CB -0.921 37.085 38.000 0.010 0.000 1.041 1011 I HN 0.505 nan 8.210 nan 0.000 0.415 1012 L N 0.991 122.245 121.223 0.050 0.000 2.084 1012 L HA -0.078 4.262 4.340 -0.000 0.000 0.202 1012 L C 2.553 179.566 176.870 0.239 0.000 1.074 1012 L CA 2.636 57.549 54.840 0.122 0.000 0.757 1012 L CB -1.279 40.839 42.059 0.099 0.000 0.918 1012 L HN 0.428 nan 8.230 nan 0.000 0.444 1013 T N -4.101 110.555 114.554 0.170 0.000 3.057 1013 T HA 0.101 4.451 4.350 -0.000 0.000 0.254 1013 T C 1.245 176.036 174.700 0.151 0.000 1.094 1013 T CA 0.315 62.563 62.100 0.247 0.000 1.088 1013 T CB 0.139 69.095 68.868 0.146 0.000 0.934 1013 T HN 0.411 nan 8.240 nan 0.000 0.497 1014 R N 0.282 120.755 120.500 -0.045 0.000 3.953 1014 R HA -0.168 4.172 4.340 -0.000 0.000 0.448 1014 R C -0.238 176.033 176.300 -0.048 0.000 1.016 1014 R CA 1.175 57.184 56.100 -0.151 0.000 1.398 1014 R CB -1.944 28.111 30.300 -0.408 0.000 2.021 1014 R HN 0.575 nan 8.270 nan 0.000 0.538 1015 Q N 1.286 121.095 119.800 0.016 0.000 2.312 1015 Q HA 0.298 4.637 4.340 -0.000 0.000 0.236 1015 Q C -2.315 173.694 176.000 0.014 0.000 0.965 1015 Q CA -2.018 53.800 55.803 0.026 0.000 0.894 1015 Q CB 0.477 29.248 28.738 0.055 0.000 1.225 1015 Q HN -0.136 nan 8.270 nan 0.000 0.478 1016 P HA -0.146 nan 4.420 nan 0.000 0.266 1016 P C -0.502 176.806 177.300 0.014 0.000 1.180 1016 P CA 0.508 63.613 63.100 0.008 0.000 0.765 1016 P CB 0.276 31.983 31.700 0.011 0.000 0.806 1017 T N -0.210 114.350 114.554 0.010 0.000 2.726 1017 T HA 0.186 4.535 4.350 -0.000 0.000 0.294 1017 T C 0.018 174.736 174.700 0.029 0.000 1.013 1017 T CA -0.577 61.533 62.100 0.017 0.000 0.996 1017 T CB 0.640 69.514 68.868 0.010 0.000 1.016 1017 T HN 0.344 nan 8.240 nan 0.000 0.529 1018 E N -0.047 120.175 120.200 0.036 0.000 2.187 1018 E HA 0.497 4.847 4.350 -0.000 0.000 0.268 1018 E C 0.104 176.749 176.600 0.075 0.000 0.896 1018 E CA -0.222 56.206 56.400 0.046 0.000 0.766 1018 E CB 1.294 31.015 29.700 0.035 0.000 1.142 1018 E HN 1.234 nan 8.360 nan 0.000 0.408 1019 G N 3.432 112.305 108.800 0.121 0.000 2.767 1019 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.686 1019 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.686 1019 G C 0.428 175.441 174.900 0.188 0.000 1.213 1019 G CA 0.183 45.384 45.100 0.169 0.000 0.803 1019 G HN 0.732 nan 8.290 nan 0.000 0.603 1020 R N 1.800 122.385 120.500 0.142 0.000 2.081 1020 R HA 0.034 4.374 4.340 -0.000 0.000 0.235 1020 R C 3.062 179.370 176.300 0.014 0.000 1.131 1020 R CA 2.486 58.524 56.100 -0.103 0.000 0.960 1020 R CB -0.483 29.623 30.300 -0.323 0.000 0.856 1020 R HN 1.401 nan 8.270 nan 0.000 0.436 1021 A N 0.939 123.781 122.820 0.037 0.000 1.927 1021 A HA -0.212 4.107 4.320 -0.000 0.000 0.220 1021 A C 2.165 179.785 177.584 0.059 0.000 1.185 1021 A CA 1.748 53.819 52.037 0.057 0.000 0.639 1021 A CB -0.500 18.527 19.000 0.045 0.000 0.820 1021 A HN 0.385 nan 8.150 nan 0.000 0.451 1022 R N -0.805 119.719 120.500 0.040 0.000 2.427 1022 R HA 0.135 4.474 4.340 -0.000 0.000 0.262 1022 R C -0.504 175.782 176.300 -0.023 0.000 0.943 1022 R CA 0.523 56.634 56.100 0.018 0.000 1.081 1022 R CB -0.012 30.305 30.300 0.029 0.000 1.166 1022 R HN 0.640 nan 8.270 nan 0.000 0.534 1023 E N -0.499 119.668 120.200 -0.056 0.000 2.689 1023 E HA -0.151 4.199 4.350 -0.000 0.000 0.165 1023 E C -1.425 175.135 176.600 -0.066 0.000 1.609 1023 E CA 0.547 56.829 56.400 -0.197 0.000 0.674 1023 E CB -1.091 28.352 29.700 -0.429 0.000 1.103 1023 E HN 0.558 nan 8.360 nan 0.000 0.373 1024 G N 1.557 110.397 108.800 0.066 0.000 2.657 1024 G HA2 0.524 4.483 3.960 -0.000 0.000 0.303 1024 G HA3 0.524 4.483 3.960 -0.000 0.000 0.303 1024 G C 0.099 175.052 174.900 0.088 0.000 1.457 1024 G CA -0.152 44.988 45.100 0.067 0.000 0.982 1024 G HN 0.557 nan 8.290 nan 0.000 0.583 1025 G N 0.036 108.852 108.800 0.026 0.000 2.664 1025 G HA2 0.432 4.392 3.960 -0.000 0.000 0.242 1025 G HA3 0.432 4.392 3.960 -0.000 0.000 0.242 1025 G C 0.399 175.222 174.900 -0.128 0.000 1.225 1025 G CA -0.469 44.592 45.100 -0.065 0.000 0.849 1025 G HN 0.799 nan 8.290 nan 0.000 0.581 1026 L N 0.442 121.545 121.223 -0.199 0.000 2.397 1026 L HA 0.248 4.587 4.340 -0.000 0.000 0.271 1026 L C 1.462 178.320 176.870 -0.020 0.000 1.148 1026 L CA -0.755 54.007 54.840 -0.129 0.000 0.825 1026 L CB 0.665 42.638 42.059 -0.145 0.000 1.117 1026 L HN 0.632 nan 8.230 nan 0.000 0.456 1027 R N 3.648 124.148 120.500 -0.000 0.000 2.522 1027 R HA -0.025 4.314 4.340 -0.000 0.000 0.284 1027 R C -1.182 175.169 176.300 0.086 0.000 1.032 1027 R CA -0.087 56.041 56.100 0.046 0.000 1.049 1027 R CB 0.305 30.618 30.300 0.022 0.000 0.956 1027 R HN 0.448 nan 8.270 nan 0.000 0.422 1028 F N 4.664 124.605 119.950 -0.015 0.000 2.334 1028 F HA 0.456 4.983 4.527 -0.000 0.000 0.365 1028 F C 0.043 175.842 175.800 -0.001 0.000 1.124 1028 F CA 0.179 58.174 58.000 -0.008 0.000 1.166 1028 F CB 0.903 39.899 39.000 -0.006 0.000 1.355 1028 F HN 0.696 nan 8.300 nan 0.000 0.532 1029 G N 3.566 112.271 108.800 -0.159 0.000 2.658 1029 G HA2 0.422 4.381 3.960 -0.000 0.000 0.292 1029 G HA3 0.422 4.381 3.960 -0.000 0.000 0.292 1029 G C -0.029 174.792 174.900 -0.131 0.000 1.320 1029 G CA -0.427 44.627 45.100 -0.077 0.000 0.933 1029 G HN 0.516 nan 8.290 nan 0.000 0.476 1030 E N 0.379 120.546 120.200 -0.056 0.000 2.884 1030 E HA -0.455 3.895 4.350 -0.000 0.000 0.224 1030 E C 1.995 178.539 176.600 -0.092 0.000 0.921 1030 E CA 2.576 58.946 56.400 -0.051 0.000 1.498 1030 E CB -0.860 28.821 29.700 -0.032 0.000 1.476 1030 E HN 0.459 nan 8.360 nan 0.000 0.464 1031 M N 0.125 119.657 119.600 -0.113 0.000 2.435 1031 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 1031 M C 1.603 177.799 176.300 -0.172 0.000 1.065 1031 M CA 1.848 57.077 55.300 -0.118 0.000 1.076 1031 M CB -0.402 32.135 32.600 -0.105 0.000 1.403 1031 M HN 0.168 nan 8.290 nan 0.000 0.454 1032 E N -0.016 119.999 120.200 -0.308 0.000 2.216 1032 E HA -0.071 4.278 4.350 -0.000 0.000 0.192 1032 E C 1.861 178.282 176.600 -0.300 0.000 0.973 1032 E CA 0.636 56.722 56.400 -0.523 0.000 0.851 1032 E CB 0.022 28.990 29.700 -1.221 0.000 0.804 1032 E HN 0.530 nan 8.360 nan 0.000 0.477 1033 R N 0.846 121.280 120.500 -0.110 0.000 2.066 1033 R HA -0.052 4.287 4.340 -0.000 0.000 0.232 1033 R C 1.285 177.622 176.300 0.061 0.000 1.131 1033 R CA 1.597 57.775 56.100 0.131 0.000 0.955 1033 R CB -0.638 29.752 30.300 0.149 0.000 0.851 1033 R HN -0.076 nan 8.270 nan 0.000 0.432 1034 D N 0.522 120.920 120.400 -0.004 0.000 2.244 1034 D HA -0.229 4.411 4.640 -0.000 0.000 0.197 1034 D C 1.495 177.785 176.300 -0.016 0.000 1.006 1034 D CA 1.301 55.291 54.000 -0.018 0.000 0.888 1034 D CB -0.486 40.287 40.800 -0.046 0.000 0.912 1034 D HN 0.346 nan 8.370 nan 0.000 0.452 1035 C N -0.418 118.879 119.300 -0.006 0.000 2.500 1035 C HA 0.120 4.580 4.460 -0.000 0.000 0.273 1035 C C 1.968 177.047 174.990 0.149 0.000 1.428 1035 C CA -0.003 59.028 59.018 0.022 0.000 1.766 1035 C CB -0.732 27.020 27.740 0.020 0.000 1.817 1035 C HN 0.319 nan 8.230 nan 0.000 0.543 1036 L N -0.572 120.757 121.223 0.176 0.000 2.906 1036 L HA 0.305 4.645 4.340 -0.000 0.000 0.255 1036 L C 1.163 178.132 176.870 0.164 0.000 1.166 1036 L CA 0.339 55.323 54.840 0.240 0.000 0.977 1036 L CB 0.010 42.211 42.059 0.236 0.000 1.313 1036 L HN 0.284 nan 8.230 nan 0.000 0.549 1037 I N -1.199 119.431 120.570 0.100 0.000 3.939 1037 I HA 0.144 4.314 4.170 -0.000 0.000 0.313 1037 I C 2.398 178.538 176.117 0.038 0.000 1.274 1037 I CA 0.521 61.861 61.300 0.067 0.000 1.301 1037 I CB -0.017 38.008 38.000 0.041 0.000 1.105 1037 I HN 0.114 nan 8.210 nan 0.000 0.427 1038 G N 1.886 110.682 108.800 -0.006 0.000 2.433 1038 G HA2 -0.106 3.853 3.960 -0.000 0.000 0.216 1038 G HA3 -0.106 3.853 3.960 -0.000 0.000 0.216 1038 G C 0.654 175.506 174.900 -0.081 0.000 1.186 1038 G CA 0.263 45.306 45.100 -0.094 0.000 0.779 1038 G HN 0.138 nan 8.290 nan 0.000 0.543 1039 F N 0.329 120.286 119.950 0.011 0.000 2.444 1039 F HA 0.397 4.924 4.527 -0.000 0.000 0.331 1039 F C 1.558 177.364 175.800 0.010 0.000 1.167 1039 F CA -0.154 57.852 58.000 0.011 0.000 1.262 1039 F CB 1.206 40.216 39.000 0.017 0.000 1.196 1039 F HN 0.051 nan 8.300 nan 0.000 0.583 1040 G N 0.635 109.574 108.800 0.233 0.000 3.639 1040 G HA2 0.033 3.993 3.960 -0.000 0.000 0.279 1040 G HA3 0.033 3.993 3.960 -0.000 0.000 0.279 1040 G C 0.114 175.064 174.900 0.083 0.000 1.312 1040 G CA -0.136 45.035 45.100 0.118 0.000 1.355 1040 G HN 0.559 nan 8.290 nan 0.000 0.595 1041 T N 0.455 115.069 114.554 0.100 0.000 3.579 1041 T HA 0.480 4.830 4.350 -0.000 0.000 0.328 1041 T C 1.701 176.417 174.700 0.026 0.000 1.481 1041 T CA 0.258 62.379 62.100 0.034 0.000 1.144 1041 T CB 0.089 68.950 68.868 -0.012 0.000 1.205 1041 T HN 0.261 nan 8.240 nan 0.000 0.812 1042 A N 5.258 128.087 122.820 0.015 0.000 1.930 1042 A HA 0.055 4.374 4.320 -0.000 0.000 0.217 1042 A C 2.237 179.814 177.584 -0.012 0.000 1.175 1042 A CA 0.823 52.863 52.037 0.006 0.000 0.627 1042 A CB -0.302 18.699 19.000 0.002 0.000 0.815 1042 A HN 0.649 nan 8.150 nan 0.000 0.443 1043 M N -1.200 118.387 119.600 -0.021 0.000 2.193 1043 M HA 0.040 4.520 4.480 -0.000 0.000 0.265 1043 M C 2.117 178.390 176.300 -0.046 0.000 1.071 1043 M CA 0.967 56.246 55.300 -0.034 0.000 1.140 1043 M CB -1.175 31.404 32.600 -0.035 0.000 1.369 1043 M HN 0.441 nan 8.290 nan 0.000 0.423 1044 L N 0.994 122.189 121.223 -0.046 0.000 2.012 1044 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 1044 L C 2.232 179.054 176.870 -0.080 0.000 1.073 1044 L CA 1.591 56.393 54.840 -0.062 0.000 0.748 1044 L CB -0.747 41.281 42.059 -0.053 0.000 0.891 1044 L HN 0.382 nan 8.230 nan 0.000 0.431 1045 L N -1.487 119.711 121.223 -0.043 0.000 2.551 1045 L HA -0.124 4.215 4.340 -0.000 0.000 0.228 1045 L C 2.170 179.002 176.870 -0.063 0.000 1.153 1045 L CA 1.152 55.968 54.840 -0.040 0.000 0.851 1045 L CB -0.482 41.603 42.059 0.044 0.000 0.959 1045 L HN 0.287 nan 8.230 nan 0.000 0.451 1046 K N -0.086 120.276 120.400 -0.063 0.000 2.400 1046 K HA -0.112 4.208 4.320 -0.000 0.000 0.194 1046 K C 0.766 177.314 176.600 -0.087 0.000 1.033 1046 K CA 0.775 57.023 56.287 -0.066 0.000 1.021 1046 K CB 0.215 32.683 32.500 -0.053 0.000 0.808 1046 K HN 0.338 nan 8.250 nan 0.000 0.505 1047 D N -0.060 120.274 120.400 -0.109 0.000 2.358 1047 D HA 0.037 4.677 4.640 -0.000 0.000 0.224 1047 D C 0.913 177.105 176.300 -0.179 0.000 1.123 1047 D CA 0.156 54.084 54.000 -0.119 0.000 0.833 1047 D CB 0.399 41.135 40.800 -0.106 0.000 0.946 1047 D HN -0.004 nan 8.370 nan 0.000 0.505 1048 R N -1.248 119.117 120.500 -0.224 0.000 2.424 1048 R HA 0.181 4.521 4.340 -0.000 0.000 0.175 1048 R C 0.909 177.014 176.300 -0.325 0.000 0.929 1048 R CA 0.288 56.143 56.100 -0.409 0.000 1.790 1048 R CB -0.573 29.318 30.300 -0.682 0.000 1.653 1048 R HN 0.190 nan 8.270 nan 0.000 0.487 1049 L N -0.387 120.742 121.223 -0.156 0.000 2.408 1049 L HA 0.499 4.839 4.340 -0.000 0.000 0.215 1049 L C 1.117 177.967 176.870 -0.033 0.000 1.081 1049 L CA 1.492 56.308 54.840 -0.040 0.000 0.840 1049 L CB 0.383 42.439 42.059 -0.004 0.000 1.002 1049 L HN 0.233 nan 8.230 nan 0.000 0.468 1050 L N -3.261 117.929 121.223 -0.056 0.000 2.877 1050 L HA 0.340 4.680 4.340 -0.000 0.000 0.275 1050 L C 1.123 177.967 176.870 -0.042 0.000 1.027 1050 L CA 0.380 55.197 54.840 -0.039 0.000 1.135 1050 L CB -0.218 41.814 42.059 -0.045 0.000 2.080 1050 L HN -0.132 nan 8.230 nan 0.000 0.560 1051 D N 1.382 121.746 120.400 -0.059 0.000 2.219 1051 D HA -0.067 4.573 4.640 -0.000 0.000 0.205 1051 D C 0.232 176.501 176.300 -0.052 0.000 0.970 1051 D CA 1.214 55.182 54.000 -0.055 0.000 0.851 1051 D CB -0.003 40.760 40.800 -0.062 0.000 0.943 1051 D HN 0.478 nan 8.370 nan 0.000 0.488 1052 N N -1.080 117.582 118.700 -0.063 0.000 2.535 1052 N HA 0.262 5.002 4.740 -0.000 0.000 0.294 1052 N C -0.208 175.279 175.510 -0.038 0.000 1.408 1052 N CA -0.124 52.893 53.050 -0.055 0.000 0.927 1052 N CB 1.359 39.803 38.487 -0.073 0.000 1.276 1052 N HN -0.199 nan 8.380 nan 0.000 0.505 1053 S N -1.088 114.599 115.700 -0.021 0.000 3.364 1053 S HA 0.133 4.603 4.470 -0.000 0.000 0.257 1053 S C 0.335 174.942 174.600 0.012 0.000 1.098 1053 S CA -0.094 58.107 58.200 0.001 0.000 0.888 1053 S CB 0.818 64.028 63.200 0.018 0.000 0.925 1053 S HN 0.237 nan 8.310 nan 0.000 0.442 1054 D N 0.319 120.731 120.400 0.020 0.000 3.118 1054 D HA 0.312 4.951 4.640 -0.000 0.000 0.222 1054 D C 0.705 177.024 176.300 0.032 0.000 1.470 1054 D CA 0.241 54.272 54.000 0.051 0.000 1.347 1054 D CB 0.265 41.131 40.800 0.110 0.000 1.221 1054 D HN 0.095 nan 8.370 nan 0.000 0.326 1055 R N -0.126 120.384 120.500 0.017 0.000 2.299 1055 R HA -0.156 4.184 4.340 -0.000 0.000 0.153 1055 R C -0.063 176.234 176.300 -0.004 0.000 0.885 1055 R CA 1.626 57.722 56.100 -0.007 0.000 1.883 1055 R CB -2.473 27.816 30.300 -0.019 0.000 0.864 1055 R HN 0.204 nan 8.270 nan 0.000 0.666 1056 T N 3.102 117.669 114.554 0.022 0.000 2.155 1056 T HA -0.205 4.144 4.350 -0.000 0.000 0.227 1056 T C 0.535 175.208 174.700 -0.045 0.000 1.026 1056 T CA 0.880 62.993 62.100 0.022 0.000 1.465 1056 T CB -0.010 68.931 68.868 0.123 0.000 1.016 1056 T HN 0.123 nan 8.240 nan 0.000 0.405 1057 M N 3.661 123.201 119.600 -0.100 0.000 2.219 1057 M HA 0.346 4.826 4.480 -0.000 0.000 0.353 1057 M C 0.275 176.358 176.300 -0.362 0.000 1.304 1057 M CA 0.442 55.593 55.300 -0.248 0.000 1.115 1057 M CB 0.063 32.488 32.600 -0.291 0.000 1.664 1057 M HN 0.546 nan 8.290 nan 0.000 0.459 1058 I N 3.124 123.419 120.570 -0.459 0.000 2.647 1058 I HA 0.371 4.541 4.170 -0.000 0.000 0.295 1058 I C -1.353 174.445 176.117 -0.532 0.000 1.078 1058 I CA -0.764 60.306 61.300 -0.384 0.000 1.048 1058 I CB 2.414 40.329 38.000 -0.142 0.000 1.239 1058 I HN 0.485 nan 8.210 nan 0.000 0.421 1059 Y N 3.890 123.988 120.300 -0.336 0.000 2.446 1059 Y HA 0.744 5.294 4.550 -0.000 0.000 0.338 1059 Y C -0.287 175.535 175.900 -0.130 0.000 1.055 1059 Y CA -1.034 56.869 58.100 -0.328 0.000 1.101 1059 Y CB 1.829 39.728 38.460 -0.935 0.000 1.221 1059 Y HN 0.074 nan 8.280 nan 0.000 0.460 1060 V N 1.597 121.639 119.914 0.213 0.000 2.686 1060 V HA 0.266 4.386 4.120 -0.000 0.000 0.306 1060 V C -0.499 175.712 176.094 0.195 0.000 1.065 1060 V CA -1.265 61.133 62.300 0.163 0.000 0.894 1060 V CB 1.780 33.637 31.823 0.057 0.000 1.004 1060 V HN 1.027 nan 8.190 nan 0.000 0.424 1061 C N 3.142 122.539 119.300 0.163 0.000 2.644 1061 C HA 0.252 4.712 4.460 -0.000 0.000 0.417 1061 C C 1.634 176.619 174.990 -0.009 0.000 1.304 1061 C CA 0.258 59.346 59.018 0.118 0.000 2.035 1061 C CB 0.008 27.822 27.740 0.123 0.000 2.673 1061 C HN 1.040 nan 8.230 nan 0.000 0.602 1062 D N 1.238 121.614 120.400 -0.040 0.000 2.075 1062 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 1062 D C 2.032 178.281 176.300 -0.084 0.000 0.985 1062 D CA 1.768 55.696 54.000 -0.120 0.000 0.834 1062 D CB -0.132 40.604 40.800 -0.107 0.000 0.987 1062 D HN 0.784 nan 8.370 nan 0.000 0.452 1063 Q N -0.610 119.166 119.800 -0.039 0.000 2.046 1063 Q HA -0.047 4.292 4.340 -0.000 0.000 0.200 1063 Q C 1.062 177.030 176.000 -0.053 0.000 0.975 1063 Q CA 1.301 57.085 55.803 -0.033 0.000 0.836 1063 Q CB 0.047 28.785 28.738 -0.000 0.000 0.896 1063 Q HN 0.493 nan 8.270 nan 0.000 0.428 1064 C N -1.353 117.922 119.300 -0.041 0.000 2.955 1064 C HA 0.605 5.065 4.460 -0.000 0.000 0.229 1064 C C 0.885 175.775 174.990 -0.167 0.000 1.842 1064 C CA -1.081 57.882 59.018 -0.092 0.000 1.539 1064 C CB -0.666 27.138 27.740 0.106 0.000 2.869 1064 C HN 0.303 nan 8.230 nan 0.000 0.503 1065 G N 0.974 109.663 108.800 -0.185 0.000 2.515 1065 G HA2 0.232 4.192 3.960 -0.000 0.000 0.290 1065 G HA3 0.232 4.192 3.960 -0.000 0.000 0.290 1065 G C -0.050 174.752 174.900 -0.163 0.000 0.795 1065 G CA 0.682 45.716 45.100 -0.110 0.000 1.866 1065 G HN 0.773 nan 8.290 nan 0.000 0.476 1066 Y N 1.774 122.101 120.300 0.044 0.000 2.781 1066 Y HA 0.388 4.938 4.550 -0.000 0.000 0.182 1066 Y C 1.572 177.480 175.900 0.014 0.000 0.949 1066 Y CA -0.642 57.473 58.100 0.025 0.000 1.525 1066 Y CB 0.055 38.534 38.460 0.031 0.000 1.138 1066 Y HN 0.431 nan 8.280 nan 0.000 0.454 1067 I N 0.415 121.131 120.570 0.243 0.000 3.322 1067 I HA 0.333 4.503 4.170 -0.000 0.000 0.296 1067 I C 0.957 177.123 176.117 0.081 0.000 1.101 1067 I CA 0.098 61.464 61.300 0.110 0.000 1.166 1067 I CB 0.461 38.509 38.000 0.080 0.000 1.475 1067 I HN 0.365 nan 8.210 nan 0.000 0.665 1068 G N 1.611 110.420 108.800 0.014 0.000 2.486 1068 G HA2 0.230 4.189 3.960 -0.000 0.000 0.272 1068 G HA3 0.230 4.189 3.960 -0.000 0.000 0.272 1068 G C -0.830 174.024 174.900 -0.077 0.000 1.426 1068 G CA -0.011 45.048 45.100 -0.067 0.000 1.058 1068 G HN 0.878 nan 8.290 nan 0.000 0.531 1069 W N -2.964 118.248 121.300 -0.146 0.000 3.163 1069 W HA 0.486 5.146 4.660 -0.000 0.000 0.395 1069 W C -1.638 174.605 176.519 -0.460 0.000 1.100 1069 W CA -1.213 55.789 57.345 -0.572 0.000 1.134 1069 W CB 0.653 29.823 29.460 -0.483 0.000 1.496 1069 W HN 0.391 nan 8.180 nan 0.000 0.605 1070 Y N 2.694 123.438 120.300 0.739 0.000 2.676 1070 Y HA 0.221 4.771 4.550 -0.000 0.000 0.338 1070 Y C -0.173 176.042 175.900 0.526 0.000 1.057 1070 Y CA -0.405 57.955 58.100 0.432 0.000 1.314 1070 Y CB -0.663 37.927 38.460 0.217 0.000 1.164 1070 Y HN 0.170 nan 8.280 nan 0.000 0.509 1071 D N 1.454 122.156 120.400 0.502 0.000 3.009 1071 D HA -0.239 4.401 4.640 -0.000 0.000 0.075 1071 D C -0.125 176.446 176.300 0.452 0.000 0.972 1071 D CA 0.679 54.899 54.000 0.366 0.000 0.517 1071 D CB 0.652 41.589 40.800 0.228 0.000 0.736 1071 D HN 0.585 nan 8.370 nan 0.000 0.261 1072 K N 1.751 122.374 120.400 0.370 0.000 3.358 1072 K HA -0.027 4.293 4.320 -0.000 0.000 0.297 1072 K C 0.474 177.173 176.600 0.165 0.000 1.064 1072 K CA -0.107 56.350 56.287 0.283 0.000 1.144 1072 K CB -0.958 31.717 32.500 0.291 0.000 1.289 1072 K HN 0.404 nan 8.250 nan 0.000 0.372 1073 N N 1.613 120.395 118.700 0.136 0.000 2.497 1073 N HA -0.006 4.734 4.740 -0.000 0.000 0.271 1073 N C -0.062 175.464 175.510 0.025 0.000 1.142 1073 N CA -0.195 52.904 53.050 0.080 0.000 0.965 1073 N CB 0.878 39.416 38.487 0.086 0.000 1.077 1073 N HN -0.050 nan 8.380 nan 0.000 0.462 1074 K N 1.140 121.550 120.400 0.017 0.000 2.960 1074 K HA -0.242 4.078 4.320 -0.000 0.000 0.259 1074 K C -0.500 176.078 176.600 -0.036 0.000 1.025 1074 K CA 0.554 56.834 56.287 -0.012 0.000 0.756 1074 K CB -1.623 30.858 32.500 -0.031 0.000 1.221 1074 K HN 0.884 nan 8.250 nan 0.000 0.483 1075 N N -0.088 118.616 118.700 0.005 0.000 2.707 1075 N HA -0.228 4.511 4.740 -0.000 0.000 0.253 1075 N C 0.606 175.964 175.510 -0.254 0.000 0.998 1075 N CA 1.516 54.583 53.050 0.028 0.000 0.751 1075 N CB -0.387 38.153 38.487 0.089 0.000 0.920 1075 N HN 0.581 nan 8.380 nan 0.000 0.539 1076 K N -0.169 120.016 120.400 -0.359 0.000 2.335 1076 K HA -0.019 4.301 4.320 -0.000 0.000 0.195 1076 K C 0.228 176.224 176.600 -1.007 0.000 1.058 1076 K CA 0.320 56.224 56.287 -0.639 0.000 0.988 1076 K CB 0.068 32.392 32.500 -0.292 0.000 0.880 1076 K HN 0.427 nan 8.250 nan 0.000 0.513 1077 Y N -0.118 119.958 120.300 -0.375 0.000 2.973 1077 Y HA -0.219 4.331 4.550 -0.000 0.000 0.210 1077 Y C -0.708 174.302 175.900 -1.482 0.000 1.191 1077 Y CA -0.495 56.922 58.100 -1.138 0.000 0.991 1077 Y CB -2.860 34.993 38.460 -1.013 0.000 1.231 1077 Y HN -0.229 nan 8.280 nan 0.000 0.504 1078 V N 2.538 122.047 119.914 -0.675 0.000 2.407 1078 V HA 0.329 4.449 4.120 -0.000 0.000 0.278 1078 V C 0.815 176.756 176.094 -0.254 0.000 1.037 1078 V CA -0.721 61.360 62.300 -0.365 0.000 0.900 1078 V CB 1.159 32.949 31.823 -0.055 0.000 0.983 1078 V HN 0.901 nan 8.190 nan 0.000 0.459 1079 C N 7.508 126.688 119.300 -0.200 0.000 2.580 1079 C HA 0.404 4.864 4.460 -0.000 0.000 0.371 1079 C C -0.850 174.230 174.990 0.150 0.000 1.308 1079 C CA -1.441 57.605 59.018 0.047 0.000 2.428 1079 C CB 0.805 28.631 27.740 0.143 0.000 2.529 1079 C HN 0.806 nan 8.230 nan 0.000 0.657 1080 P HA 0.050 nan 4.420 nan 0.000 0.238 1080 P C -0.352 177.053 177.300 0.175 0.000 1.175 1080 P CA 1.355 64.570 63.100 0.191 0.000 0.757 1080 P CB -0.402 31.396 31.700 0.162 0.000 0.839 1081 I N -0.310 120.366 120.570 0.176 0.000 2.476 1081 I HA 0.213 4.383 4.170 -0.000 0.000 0.281 1081 I C 0.769 176.981 176.117 0.158 0.000 1.040 1081 I CA -1.023 60.383 61.300 0.175 0.000 1.094 1081 I CB 1.348 39.428 38.000 0.132 0.000 1.219 1081 I HN 0.013 nan 8.210 nan 0.000 0.450 1082 H N 4.271 123.360 119.070 0.032 0.000 2.748 1082 H HA 0.539 5.094 4.556 -0.000 0.000 0.288 1082 H C 0.635 175.952 175.328 -0.019 0.000 1.539 1082 H CA -0.320 55.728 56.048 0.001 0.000 1.577 1082 H CB 0.929 30.697 29.762 0.009 0.000 1.721 1082 H HN 0.712 nan 8.280 nan 0.000 0.869 1083 G N 0.877 109.560 108.800 -0.195 0.000 2.326 1083 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.286 1083 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.286 1083 G C 0.019 174.826 174.900 -0.155 0.000 1.096 1083 G CA 0.656 45.597 45.100 -0.265 0.000 1.003 1083 G HN 0.857 nan 8.290 nan 0.000 0.503 1084 D N -1.512 118.829 120.400 -0.099 0.000 2.845 1084 D HA -0.213 4.427 4.640 -0.000 0.000 0.167 1084 D C 1.219 177.542 176.300 0.039 0.000 1.672 1084 D CA 2.210 56.222 54.000 0.020 0.000 1.924 1084 D CB -0.771 40.041 40.800 0.019 0.000 1.372 1084 D HN 0.901 nan 8.370 nan 0.000 0.423 1085 K N 1.197 121.580 120.400 -0.029 0.000 2.591 1085 K HA -0.015 4.305 4.320 -0.000 0.000 0.280 1085 K C 1.252 177.866 176.600 0.022 0.000 0.964 1085 K CA 1.915 58.193 56.287 -0.016 0.000 1.014 1085 K CB 0.358 32.824 32.500 -0.056 0.000 0.877 1085 K HN 0.493 nan 8.250 nan 0.000 0.502 1086 S N 0.904 116.623 115.700 0.032 0.000 1.906 1086 S HA -0.343 4.127 4.470 -0.000 0.000 0.229 1086 S C 0.296 174.948 174.600 0.086 0.000 1.003 1086 S CA 1.162 59.392 58.200 0.050 0.000 1.559 1086 S CB -1.834 61.397 63.200 0.052 0.000 2.023 1086 S HN 1.118 nan 8.310 nan 0.000 0.555 1087 N N 0.503 119.258 118.700 0.092 0.000 4.393 1087 N HA -0.155 4.585 4.740 -0.000 0.000 0.333 1087 N C -1.103 174.531 175.510 0.207 0.000 1.900 1087 N CA 1.216 54.331 53.050 0.109 0.000 3.025 1087 N CB -0.538 38.026 38.487 0.127 0.000 0.337 1087 N HN 0.723 nan 8.380 nan 0.000 0.842 1088 L N 2.708 124.068 121.223 0.229 0.000 2.370 1088 L HA 0.635 4.975 4.340 -0.000 0.000 0.266 1088 L C -0.660 176.568 176.870 0.596 0.000 1.002 1088 L CA -0.617 54.507 54.840 0.474 0.000 0.818 1088 L CB 1.676 44.137 42.059 0.670 0.000 1.325 1088 L HN 0.362 nan 8.230 nan 0.000 0.418 1089 F N 1.691 121.782 119.950 0.233 0.000 2.469 1089 F HA 0.530 5.057 4.527 -0.000 0.000 0.332 1089 F C -2.108 173.780 175.800 0.148 0.000 1.103 1089 F CA -2.195 55.897 58.000 0.152 0.000 0.979 1089 F CB 2.040 41.083 39.000 0.071 0.000 1.137 1089 F HN 0.181 nan 8.300 nan 0.000 0.463 1090 P HA 0.332 nan 4.420 nan 0.000 0.282 1090 P C -1.366 175.857 177.300 -0.128 0.000 1.249 1090 P CA -0.491 62.510 63.100 -0.165 0.000 0.806 1090 P CB 2.056 33.635 31.700 -0.202 0.000 0.984 1091 V N 2.166 121.937 119.914 -0.240 0.000 2.777 1091 V HA 0.273 4.393 4.120 -0.000 0.000 0.306 1091 V C -0.845 175.153 176.094 -0.161 0.000 1.112 1091 V CA -0.422 61.796 62.300 -0.136 0.000 0.917 1091 V CB 2.236 34.022 31.823 -0.062 0.000 1.018 1091 V HN 0.500 nan 8.190 nan 0.000 0.426 1092 T N 5.827 120.311 114.554 -0.117 0.000 2.738 1092 T HA 0.542 4.892 4.350 -0.000 0.000 0.293 1092 T C -0.369 174.282 174.700 -0.082 0.000 0.913 1092 T CA -0.001 62.039 62.100 -0.099 0.000 1.103 1092 T CB 0.539 69.361 68.868 -0.077 0.000 0.880 1092 T HN 0.536 nan 8.240 nan 0.000 0.526 1093 V N 2.568 122.441 119.914 -0.069 0.000 3.012 1093 V HA 0.447 4.567 4.120 -0.000 0.000 0.307 1093 V C 0.109 176.200 176.094 -0.004 0.000 1.166 1093 V CA -1.156 61.110 62.300 -0.057 0.000 0.974 1093 V CB 2.475 34.266 31.823 -0.054 0.000 1.040 1093 V HN 0.877 nan 8.190 nan 0.000 0.428 1094 S N 3.047 118.742 115.700 -0.008 0.000 2.515 1094 S HA 0.035 4.505 4.470 -0.000 0.000 0.285 1094 S C 0.915 175.597 174.600 0.138 0.000 1.265 1094 S CA 0.244 58.478 58.200 0.056 0.000 1.079 1094 S CB -0.007 63.210 63.200 0.029 0.000 0.877 1094 S HN 0.827 nan 8.310 nan 0.000 0.493 1095 Y N 5.110 125.436 120.300 0.043 0.000 2.298 1095 Y HA -0.189 4.361 4.550 -0.000 0.000 0.287 1095 Y C 2.166 178.117 175.900 0.084 0.000 1.164 1095 Y CA 1.953 60.087 58.100 0.055 0.000 1.229 1095 Y CB -0.683 37.795 38.460 0.031 0.000 0.977 1095 Y HN 0.895 nan 8.280 nan 0.000 0.538 1096 A N -0.392 122.527 122.820 0.165 0.000 2.024 1096 A HA -0.222 4.097 4.320 -0.000 0.000 0.220 1096 A C 2.021 179.652 177.584 0.079 0.000 1.164 1096 A CA 1.695 53.797 52.037 0.108 0.000 0.643 1096 A CB -1.277 17.808 19.000 0.141 0.000 0.806 1096 A HN 0.583 nan 8.150 nan 0.000 0.451 1097 F N 0.509 120.400 119.950 -0.099 0.000 2.149 1097 F HA -0.040 4.487 4.527 -0.000 0.000 0.294 1097 F C 2.298 177.996 175.800 -0.169 0.000 1.095 1097 F CA 1.647 59.585 58.000 -0.103 0.000 1.276 1097 F CB -0.199 38.759 39.000 -0.070 0.000 1.023 1097 F HN 0.165 nan 8.300 nan 0.000 0.480 1098 K N 1.070 121.394 120.400 -0.126 0.000 2.089 1098 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 1098 K C 2.055 178.439 176.600 -0.359 0.000 1.048 1098 K CA 1.971 58.092 56.287 -0.276 0.000 0.926 1098 K CB -0.900 31.392 32.500 -0.347 0.000 0.714 1098 K HN 0.370 nan 8.250 nan 0.000 0.448 1099 L N 0.551 121.499 121.223 -0.458 0.000 1.955 1099 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 1099 L C 2.719 179.459 176.870 -0.217 0.000 1.072 1099 L CA 1.206 55.869 54.840 -0.295 0.000 0.755 1099 L CB -0.801 41.130 42.059 -0.213 0.000 0.888 1099 L HN 0.169 nan 8.230 nan 0.000 0.432 1100 L N 0.053 121.138 121.223 -0.229 0.000 1.963 1100 L HA -0.296 4.044 4.340 -0.000 0.000 0.220 1100 L C 2.504 179.203 176.870 -0.285 0.000 1.076 1100 L CA 1.905 56.602 54.840 -0.238 0.000 0.772 1100 L CB -0.680 41.212 42.059 -0.279 0.000 0.892 1100 L HN 0.108 nan 8.230 nan 0.000 0.435 1101 I N -0.448 119.859 120.570 -0.439 0.000 2.103 1101 I HA -0.450 3.720 4.170 -0.000 0.000 0.241 1101 I C 2.595 178.610 176.117 -0.171 0.000 1.036 1101 I CA 2.142 63.241 61.300 -0.334 0.000 1.300 1101 I CB -1.386 36.419 38.000 -0.324 0.000 1.010 1101 I HN 0.550 nan 8.210 nan 0.000 0.406 1102 Q N 0.223 119.932 119.800 -0.150 0.000 2.002 1102 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 1102 Q C 2.175 178.128 176.000 -0.078 0.000 0.988 1102 Q CA 1.972 57.720 55.803 -0.091 0.000 0.843 1102 Q CB -0.232 28.458 28.738 -0.080 0.000 0.908 1102 Q HN 0.553 nan 8.270 nan 0.000 0.420 1103 E N 0.716 120.864 120.200 -0.087 0.000 2.065 1103 E HA -0.233 4.116 4.350 -0.000 0.000 0.201 1103 E C 2.080 178.645 176.600 -0.059 0.000 1.016 1103 E CA 1.391 57.753 56.400 -0.063 0.000 0.818 1103 E CB -0.281 29.382 29.700 -0.061 0.000 0.749 1103 E HN 0.248 nan 8.360 nan 0.000 0.453 1104 L N 0.040 121.217 121.223 -0.077 0.000 1.997 1104 L HA -0.319 4.021 4.340 -0.000 0.000 0.216 1104 L C 2.627 179.471 176.870 -0.043 0.000 1.074 1104 L CA 1.513 56.317 54.840 -0.061 0.000 0.763 1104 L CB -0.473 41.536 42.059 -0.083 0.000 0.890 1104 L HN 0.276 nan 8.230 nan 0.000 0.434 1105 M N -0.447 119.125 119.600 -0.047 0.000 2.073 1105 M HA -0.221 4.258 4.480 -0.000 0.000 0.258 1105 M C 2.507 178.778 176.300 -0.048 0.000 1.070 1105 M CA 2.382 57.656 55.300 -0.044 0.000 1.103 1105 M CB -0.567 32.000 32.600 -0.054 0.000 1.321 1105 M HN 0.379 nan 8.290 nan 0.000 0.405 1106 S N 0.044 115.718 115.700 -0.043 0.000 2.442 1106 S HA -0.159 4.310 4.470 -0.000 0.000 0.236 1106 S C 1.723 176.306 174.600 -0.027 0.000 1.007 1106 S CA 1.302 59.481 58.200 -0.034 0.000 0.965 1106 S CB -0.708 62.476 63.200 -0.027 0.000 0.773 1106 S HN 0.636 nan 8.310 nan 0.000 0.504 1107 M N 1.465 121.049 119.600 -0.027 0.000 2.495 1107 M HA 0.273 4.753 4.480 -0.000 0.000 0.237 1107 M C -0.575 175.715 176.300 -0.017 0.000 1.131 1107 M CA 0.263 55.551 55.300 -0.020 0.000 1.032 1107 M CB -0.108 32.481 32.600 -0.019 0.000 1.513 1107 M HN 0.138 nan 8.290 nan 0.000 0.488 1108 I N 0.347 120.904 120.570 -0.022 0.000 6.027 1108 I HA -0.234 3.936 4.170 -0.000 0.000 0.126 1108 I C -1.252 174.861 176.117 -0.006 0.000 1.820 1108 I CA 0.291 61.580 61.300 -0.018 0.000 2.038 1108 I CB -3.108 34.883 38.000 -0.015 0.000 3.426 1108 I HN 0.197 nan 8.210 nan 0.000 0.169 1109 I N 1.565 122.133 120.570 -0.004 0.000 2.354 1109 I HA 0.358 4.527 4.170 -0.000 0.000 0.292 1109 I C 0.942 177.084 176.117 0.042 0.000 0.989 1109 I CA -0.710 60.598 61.300 0.013 0.000 1.188 1109 I CB 1.849 39.849 38.000 -0.000 0.000 1.342 1109 I HN 0.369 nan 8.210 nan 0.000 0.457 1110 S N 7.404 123.156 115.700 0.086 0.000 2.448 1110 S HA 0.621 5.091 4.470 -0.000 0.000 0.279 1110 S C -2.438 172.257 174.600 0.159 0.000 1.195 1110 S CA -0.992 57.336 58.200 0.214 0.000 1.051 1110 S CB 0.438 63.798 63.200 0.267 0.000 0.948 1110 S HN 0.442 nan 8.310 nan 0.000 0.493 1111 P HA 0.402 nan 4.420 nan 0.000 0.206 1111 P C -0.966 176.329 177.300 -0.009 0.000 1.849 1111 P CA -0.516 62.615 63.100 0.051 0.000 1.229 1111 P CB 0.376 32.076 31.700 0.000 0.000 1.673 1112 R N 2.849 123.278 120.500 -0.118 0.000 2.204 1112 R HA 0.341 4.681 4.340 -0.000 0.000 0.341 1112 R C -0.223 176.002 176.300 -0.125 0.000 1.035 1112 R CA -0.843 55.105 56.100 -0.253 0.000 0.887 1112 R CB 0.575 30.604 30.300 -0.451 0.000 1.114 1112 R HN 0.269 nan 8.270 nan 0.000 0.473 1113 L N 2.920 124.098 121.223 -0.076 0.000 2.292 1113 L HA 0.312 4.652 4.340 -0.000 0.000 0.284 1113 L C 1.106 177.942 176.870 -0.055 0.000 1.065 1113 L CA -0.646 54.179 54.840 -0.024 0.000 0.806 1113 L CB -0.055 42.030 42.059 0.043 0.000 1.175 1113 L HN 0.230 nan 8.230 nan 0.000 0.431 1114 V N 1.514 121.396 119.914 -0.053 0.000 5.164 1114 V HA 0.645 4.765 4.120 -0.000 0.000 0.266 1114 V C 0.177 176.220 176.094 -0.084 0.000 1.222 1114 V CA -0.267 61.986 62.300 -0.079 0.000 0.667 1114 V CB 0.023 31.805 31.823 -0.069 0.000 1.200 1114 V HN 0.819 nan 8.190 nan 0.000 0.347 1115 L N -3.054 118.116 121.223 -0.088 0.000 2.643 1115 L HA 0.745 5.085 4.340 -0.000 0.000 0.256 1115 L C -0.778 176.060 176.870 -0.052 0.000 0.931 1115 L CA -0.595 54.193 54.840 -0.087 0.000 0.895 1115 L CB 1.583 43.518 42.059 -0.207 0.000 1.430 1115 L HN 0.690 nan 8.230 nan 0.000 0.419 1116 E N 0.158 120.352 120.200 -0.009 0.000 2.524 1116 E HA 0.459 4.809 4.350 -0.000 0.000 0.219 1116 E C -1.097 175.533 176.600 0.050 0.000 0.776 1116 E CA -0.671 55.735 56.400 0.009 0.000 0.944 1116 E CB 1.724 31.425 29.700 0.000 0.000 1.719 1116 E HN 0.784 nan 8.360 nan 0.000 0.384 1117 D N -0.820 119.605 120.400 0.042 0.000 2.979 1117 D HA 0.164 4.804 4.640 -0.000 0.000 0.184 1117 D C -0.216 176.104 176.300 0.032 0.000 1.417 1117 D CA 0.516 54.550 54.000 0.056 0.000 1.527 1117 D CB 0.801 41.633 40.800 0.053 0.000 1.199 1117 D HN 0.483 nan 8.370 nan 0.000 0.198 1118 K N -0.600 119.812 120.400 0.020 0.000 1.603 1118 K HA 0.042 4.362 4.320 -0.000 0.000 0.100 1118 K C -0.533 176.071 176.600 0.007 0.000 2.121 1118 K CA -0.014 56.279 56.287 0.010 0.000 0.922 1118 K CB -0.723 31.782 32.500 0.007 0.000 2.417 1118 K HN 0.073 nan 8.250 nan 0.000 0.361 1119 V N 0.000 119.920 119.914 0.010 0.000 2.409 1119 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1119 V CA 0.000 62.305 62.300 0.008 0.000 1.235 1119 V CB 0.000 31.829 31.823 0.011 0.000 1.184 1119 V HN 0.000 nan 8.190 nan 0.000 0.556