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 1x1j_1_A DATA FIRST_RESID 26 DATA SEQUENCE SDEFDALRIK WATLLTGGPA LDPADSDIAA RTDKLAQDAN DYWEDMDLSS DATA SEQUENCE SRTYIWYALR GNGTSDNVNA VYERLRTMAL AATTVGSSLY GNADLKEDIL DATA SEQUENCE DALDWLYVNS YNSTRSRSAY NWWHWQLGIP MSLNDIAVLL YDDISAARMA DATA SEQUENCE TYMDTIDYFT PSIGLTGAAR AWQAIVVGVR AVIVKDAVKL AAARNGLSGT DATA SEQUENCE GIFPYATGGD GFYADGSFVQ HTTFAYTGGY GSSVLETTAN LMYLLSGSTW DATA SEQUENCE SVSDPNQSNV WQWIYEAYRP LLYKGAMMDM VRGREISRSY AQDHAVGHGI DATA SEQUENCE VASIVRLAQF APAPHAAAFK QIAKRVIQED TFSSFYGDVS TDTIRLAKAI DATA SEQUENCE VDDPSIAPAA APNLYKQYAA MDRAVLQRPG FALGLALYST RISSYESINS DATA SEQUENCE ENGRGWYTGA GATYLYNQDL AQYSEDYWPT VDAYRIPGTT VASGTPIASG DATA SEQUENCE TGTSSWTGGV SLAGQYGASG MDLSYGAYNL SARKSWFMFD DEIVALGSGI DATA SEQUENCE SSTAGIPIET VVDNRKLNGA GDNAWTANGA ALSTGLGVAQ TLTGVNWVHL DATA SEQUENCE AGNTADGSDI GYYFPGGATL QTKREARTGT WKQINNRPAT PSTAVTRNYE DATA SEQUENCE TMWIDHGTNP SGASYGYVLL PNKTSAQVGA YAADPAIEIV VNTSGVQSVK DATA SEQUENCE EKTLGLVGAN FWTDTTQTAD LITSNKKASV MTREIADERL EASVSDPTQA DATA SEQUENCE NNGTIAIELA RSAEGYSADP GITVTQLAPT IKFTVNVNGA KGKSFHASFQ DATA SEQUENCE LG 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.649 174.600 0.081 0.000 1.055 26 S CA 0.000 58.245 58.200 0.075 0.000 1.107 26 S CB 0.000 63.238 63.200 0.064 0.000 0.593 27 D N -0.515 119.948 120.400 0.105 0.000 2.592 27 D HA 0.461 5.101 4.640 -0.000 0.000 0.263 27 D C 0.521 176.874 176.300 0.090 0.000 1.132 27 D CA -0.834 53.236 54.000 0.116 0.000 0.996 27 D CB 0.452 41.378 40.800 0.210 0.000 1.442 27 D HN 0.527 nan 8.370 nan 0.000 0.486 28 E N -0.959 119.258 120.200 0.028 0.000 2.265 28 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 28 E C 0.839 177.432 176.600 -0.012 0.000 0.996 28 E CA 0.879 57.264 56.400 -0.026 0.000 0.832 28 E CB -0.117 29.522 29.700 -0.101 0.000 0.756 28 E HN 0.446 nan 8.360 nan 0.000 0.491 29 F N 1.660 121.685 119.950 0.125 0.000 2.128 29 F HA -0.132 4.395 4.527 -0.000 0.000 0.295 29 F C 2.116 177.903 175.800 -0.021 0.000 1.100 29 F CA 1.309 59.329 58.000 0.033 0.000 1.260 29 F CB -0.319 38.683 39.000 0.003 0.000 1.009 29 F HN 0.052 nan 8.300 nan 0.000 0.476 30 D N 0.189 120.695 120.400 0.177 0.000 2.144 30 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 30 D C 2.326 178.652 176.300 0.042 0.000 0.984 30 D CA 1.414 55.445 54.000 0.053 0.000 0.834 30 D CB -0.359 40.481 40.800 0.068 0.000 0.955 30 D HN 0.283 nan 8.370 nan 0.000 0.465 31 A N 1.227 124.083 122.820 0.060 0.000 1.877 31 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 31 A C 2.413 180.027 177.584 0.051 0.000 1.186 31 A CA 0.906 52.971 52.037 0.046 0.000 0.620 31 A CB -0.776 18.245 19.000 0.034 0.000 0.822 31 A HN 0.154 nan 8.150 nan 0.000 0.443 32 L N -1.291 119.967 121.223 0.058 0.000 2.056 32 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 32 L C 2.793 179.717 176.870 0.090 0.000 1.078 32 L CA 1.595 56.473 54.840 0.064 0.000 0.749 32 L CB -0.476 41.612 42.059 0.048 0.000 0.901 32 L HN 0.453 nan 8.230 nan 0.000 0.433 33 R N 0.845 121.376 120.500 0.051 0.000 2.091 33 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 33 R C 2.248 178.596 176.300 0.080 0.000 1.136 33 R CA 1.662 57.774 56.100 0.020 0.000 0.959 33 R CB -0.255 29.946 30.300 -0.164 0.000 0.856 33 R HN 0.316 nan 8.270 nan 0.000 0.437 34 I N 0.558 121.161 120.570 0.056 0.000 2.493 34 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 34 I C 2.512 178.697 176.117 0.112 0.000 1.160 34 I CA 1.026 62.371 61.300 0.075 0.000 1.445 34 I CB -0.252 37.783 38.000 0.058 0.000 1.086 34 I HN 0.230 nan 8.210 nan 0.000 0.433 35 K N 0.850 121.328 120.400 0.129 0.000 2.026 35 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 35 K C 2.248 178.989 176.600 0.236 0.000 1.048 35 K CA 1.536 57.917 56.287 0.157 0.000 0.929 35 K CB -0.249 32.312 32.500 0.101 0.000 0.713 35 K HN 0.446 nan 8.250 nan 0.000 0.439 36 W N 1.164 122.508 121.300 0.073 0.000 2.388 36 W HA -0.143 4.517 4.660 -0.000 0.000 0.294 36 W C 1.763 178.333 176.519 0.084 0.000 1.212 36 W CA 1.493 58.893 57.345 0.091 0.000 1.271 36 W CB -0.135 29.357 29.460 0.054 0.000 1.126 36 W HN 0.216 nan 8.180 nan 0.000 0.535 37 A N 0.460 123.380 122.820 0.168 0.000 1.908 37 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 37 A C 1.890 179.473 177.584 -0.002 0.000 1.181 37 A CA 2.524 54.607 52.037 0.076 0.000 0.627 37 A CB -1.268 17.798 19.000 0.109 0.000 0.818 37 A HN 0.274 nan 8.150 nan 0.000 0.445 38 T N -0.073 114.494 114.554 0.023 0.000 2.821 38 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 38 T C 1.801 176.467 174.700 -0.058 0.000 1.046 38 T CA 1.220 63.326 62.100 0.010 0.000 1.139 38 T CB -0.336 68.566 68.868 0.057 0.000 0.871 38 T HN 0.429 nan 8.240 nan 0.000 0.454 39 L N 0.446 121.595 121.223 -0.122 0.000 2.191 39 L HA 0.011 4.350 4.340 -0.000 0.000 0.212 39 L C 1.882 178.564 176.870 -0.312 0.000 1.103 39 L CA 1.309 55.998 54.840 -0.252 0.000 0.769 39 L CB -0.190 41.614 42.059 -0.424 0.000 0.908 39 L HN 0.271 nan 8.230 nan 0.000 0.438 40 L N -1.191 119.845 121.223 -0.311 0.000 2.249 40 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 40 L C 2.315 179.124 176.870 -0.102 0.000 1.090 40 L CA 1.279 55.985 54.840 -0.223 0.000 0.802 40 L CB -0.500 41.447 42.059 -0.187 0.000 0.947 40 L HN 0.409 nan 8.230 nan 0.000 0.453 41 T N -5.119 109.396 114.554 -0.064 0.000 2.971 41 T HA 0.311 4.661 4.350 -0.000 0.000 0.252 41 T C 1.427 176.110 174.700 -0.028 0.000 1.022 41 T CA 0.579 62.666 62.100 -0.021 0.000 0.980 41 T CB 1.072 69.956 68.868 0.028 0.000 1.044 41 T HN 0.360 nan 8.240 nan 0.000 0.501 42 G N 0.822 109.597 108.800 -0.040 0.000 2.194 42 G HA2 0.277 4.237 3.960 -0.000 0.000 0.236 42 G HA3 0.277 4.237 3.960 -0.000 0.000 0.236 42 G C 0.983 175.871 174.900 -0.020 0.000 0.987 42 G CA 0.179 45.257 45.100 -0.037 0.000 0.635 42 G HN 1.880 nan 8.290 nan 0.000 0.520 43 G N -0.377 108.420 108.800 -0.005 0.000 2.795 43 G HA2 0.222 4.181 3.960 -0.000 0.000 0.664 43 G HA3 0.222 4.181 3.960 -0.000 0.000 0.664 43 G C -0.744 174.153 174.900 -0.006 0.000 1.381 43 G CA 0.283 45.389 45.100 0.010 0.000 0.853 43 G HN 0.851 nan 8.290 nan 0.000 0.545 44 P HA 0.054 nan 4.420 nan 0.000 0.219 44 P C 1.521 178.795 177.300 -0.042 0.000 1.150 44 P CA 2.057 65.143 63.100 -0.022 0.000 0.814 44 P CB -0.002 31.705 31.700 0.011 0.000 0.787 45 A N 0.273 123.079 122.820 -0.023 0.000 2.276 45 A HA 0.088 4.408 4.320 -0.000 0.000 0.212 45 A C 1.147 178.708 177.584 -0.039 0.000 1.230 45 A CA -0.209 51.812 52.037 -0.027 0.000 0.844 45 A CB -1.182 17.811 19.000 -0.011 0.000 0.860 45 A HN 0.175 nan 8.150 nan 0.000 0.486 46 L N 1.716 122.908 121.223 -0.051 0.000 2.574 46 L HA 0.022 4.362 4.340 -0.000 0.000 0.281 46 L C -0.337 176.492 176.870 -0.069 0.000 1.212 46 L CA 0.108 54.912 54.840 -0.059 0.000 1.082 46 L CB -0.714 41.306 42.059 -0.065 0.000 1.362 46 L HN 0.264 nan 8.230 nan 0.000 0.451 47 D N 7.540 127.904 120.400 -0.060 0.000 2.518 47 D HA -0.059 4.581 4.640 -0.000 0.000 0.270 47 D C -1.303 174.957 176.300 -0.067 0.000 1.338 47 D CA -1.116 52.848 54.000 -0.060 0.000 0.983 47 D CB 0.949 41.716 40.800 -0.056 0.000 1.126 47 D HN 0.387 nan 8.370 nan 0.000 0.543 48 P HA -0.050 nan 4.420 nan 0.000 0.237 48 P C 0.715 177.982 177.300 -0.056 0.000 1.178 48 P CA 0.399 63.459 63.100 -0.067 0.000 0.766 48 P CB 0.295 31.951 31.700 -0.073 0.000 0.876 49 A N -0.339 122.450 122.820 -0.053 0.000 2.072 49 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 49 A C 1.256 178.808 177.584 -0.053 0.000 1.156 49 A CA 0.181 52.191 52.037 -0.046 0.000 0.701 49 A CB -0.847 18.129 19.000 -0.039 0.000 0.816 49 A HN 0.095 nan 8.150 nan 0.000 0.458 50 D N 0.408 120.769 120.400 -0.066 0.000 2.434 50 D HA 0.029 4.669 4.640 -0.000 0.000 0.252 50 D C 1.312 177.561 176.300 -0.085 0.000 1.185 50 D CA 0.745 54.694 54.000 -0.084 0.000 0.886 50 D CB 1.104 41.839 40.800 -0.108 0.000 1.148 50 D HN 0.180 nan 8.370 nan 0.000 0.483 51 S N 3.596 119.248 115.700 -0.080 0.000 2.369 51 S HA -0.237 4.233 4.470 -0.000 0.000 0.225 51 S C 1.268 175.823 174.600 -0.075 0.000 1.043 51 S CA 1.797 59.958 58.200 -0.065 0.000 1.074 51 S CB -0.090 63.079 63.200 -0.052 0.000 0.962 51 S HN 0.619 nan 8.310 nan 0.000 0.433 52 D N 0.725 121.054 120.400 -0.119 0.000 2.117 52 D HA -0.075 4.565 4.640 -0.000 0.000 0.197 52 D C 2.086 178.326 176.300 -0.100 0.000 0.987 52 D CA 1.485 55.415 54.000 -0.116 0.000 0.829 52 D CB -0.294 40.349 40.800 -0.261 0.000 0.961 52 D HN 0.467 nan 8.370 nan 0.000 0.460 53 I N 1.784 122.280 120.570 -0.124 0.000 2.099 53 I HA -0.286 3.884 4.170 -0.000 0.000 0.239 53 I C 2.785 178.864 176.117 -0.064 0.000 1.066 53 I CA 1.160 62.405 61.300 -0.092 0.000 1.324 53 I CB -0.358 37.585 38.000 -0.094 0.000 1.037 53 I HN -0.078 nan 8.210 nan 0.000 0.401 54 A N 0.730 123.513 122.820 -0.061 0.000 1.917 54 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 54 A C 2.522 180.085 177.584 -0.036 0.000 1.182 54 A CA 2.179 54.189 52.037 -0.046 0.000 0.633 54 A CB -0.941 18.034 19.000 -0.043 0.000 0.819 54 A HN 0.493 nan 8.150 nan 0.000 0.448 55 A N -0.516 122.282 122.820 -0.036 0.000 1.877 55 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 55 A C 2.206 179.774 177.584 -0.026 0.000 1.186 55 A CA 2.163 54.184 52.037 -0.026 0.000 0.620 55 A CB -0.436 18.552 19.000 -0.020 0.000 0.822 55 A HN 0.458 nan 8.150 nan 0.000 0.443 56 R N 0.098 120.580 120.500 -0.030 0.000 2.075 56 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 56 R C 2.321 178.604 176.300 -0.028 0.000 1.126 56 R CA 2.360 58.442 56.100 -0.029 0.000 0.963 56 R CB -1.114 29.166 30.300 -0.034 0.000 0.858 56 R HN 0.638 nan 8.270 nan 0.000 0.435 57 T N -1.886 112.651 114.554 -0.029 0.000 2.962 57 T HA -0.060 4.290 4.350 -0.000 0.000 0.270 57 T C 1.140 175.832 174.700 -0.014 0.000 1.088 57 T CA 1.310 63.398 62.100 -0.021 0.000 1.127 57 T CB -0.176 68.676 68.868 -0.026 0.000 0.883 57 T HN 0.137 nan 8.240 nan 0.000 0.493 58 D N 1.437 121.827 120.400 -0.018 0.000 2.162 58 D HA 0.003 4.643 4.640 -0.000 0.000 0.205 58 D C 2.055 178.342 176.300 -0.021 0.000 0.964 58 D CA 0.921 54.912 54.000 -0.015 0.000 0.847 58 D CB -0.238 40.552 40.800 -0.017 0.000 0.988 58 D HN 0.470 nan 8.370 nan 0.000 0.480 59 K N 0.682 121.066 120.400 -0.027 0.000 2.103 59 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 59 K C 2.164 178.739 176.600 -0.042 0.000 1.048 59 K CA 0.729 56.994 56.287 -0.037 0.000 0.930 59 K CB -0.126 32.353 32.500 -0.035 0.000 0.716 59 K HN -0.015 nan 8.250 nan 0.000 0.444 60 L N 1.093 122.300 121.223 -0.028 0.000 1.976 60 L HA -0.107 4.232 4.340 -0.000 0.000 0.209 60 L C 2.293 179.154 176.870 -0.015 0.000 1.071 60 L CA 2.303 57.131 54.840 -0.018 0.000 0.746 60 L CB -0.956 41.100 42.059 -0.006 0.000 0.890 60 L HN 0.222 nan 8.230 nan 0.000 0.432 61 A N -1.092 121.727 122.820 -0.002 0.000 1.978 61 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 61 A C 2.331 179.916 177.584 0.002 0.000 1.170 61 A CA 1.998 54.045 52.037 0.016 0.000 0.636 61 A CB -0.780 18.238 19.000 0.030 0.000 0.810 61 A HN 0.736 nan 8.150 nan 0.000 0.448 62 Q N -0.409 119.372 119.800 -0.031 0.000 2.046 62 Q HA -0.231 4.109 4.340 -0.000 0.000 0.200 62 Q C 1.439 177.356 176.000 -0.138 0.000 0.975 62 Q CA 1.909 57.677 55.803 -0.060 0.000 0.836 62 Q CB -0.199 28.500 28.738 -0.064 0.000 0.896 62 Q HN 0.619 nan 8.270 nan 0.000 0.428 63 D N 0.452 120.735 120.400 -0.194 0.000 2.123 63 D HA -0.160 4.479 4.640 -0.000 0.000 0.196 63 D C 1.729 177.712 176.300 -0.529 0.000 0.992 63 D CA 1.555 55.296 54.000 -0.431 0.000 0.833 63 D CB -0.233 40.392 40.800 -0.292 0.000 0.954 63 D HN 0.434 nan 8.370 nan 0.000 0.455 64 A N 0.756 123.492 122.820 -0.140 0.000 1.858 64 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 64 A C 2.058 179.724 177.584 0.138 0.000 1.190 64 A CA 1.443 53.517 52.037 0.062 0.000 0.617 64 A CB -0.609 18.436 19.000 0.076 0.000 0.827 64 A HN 0.132 nan 8.150 nan 0.000 0.443 65 N N 0.283 119.050 118.700 0.112 0.000 2.104 65 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 65 N C 1.189 176.774 175.510 0.125 0.000 1.024 65 N CA 1.714 54.884 53.050 0.200 0.000 0.853 65 N CB -0.426 38.130 38.487 0.114 0.000 1.008 65 N HN 0.424 nan 8.380 nan 0.000 0.424 66 D N -0.183 120.183 120.400 -0.056 0.000 2.123 66 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 66 D C 1.801 178.123 176.300 0.038 0.000 0.992 66 D CA 1.037 54.976 54.000 -0.101 0.000 0.833 66 D CB -0.353 40.272 40.800 -0.291 0.000 0.954 66 D HN 0.353 nan 8.370 nan 0.000 0.455 67 Y N -0.765 119.616 120.300 0.134 0.000 2.153 67 Y HA -0.093 4.457 4.550 -0.000 0.000 0.289 67 Y C 2.246 178.505 175.900 0.599 0.000 1.127 67 Y CA -0.052 58.178 58.100 0.218 0.000 1.131 67 Y CB -1.134 37.353 38.460 0.044 0.000 0.995 67 Y HN 0.090 nan 8.280 nan 0.000 0.505 68 W N 2.316 123.864 121.300 0.413 0.000 2.321 68 W HA -0.245 4.414 4.660 -0.000 0.000 0.306 68 W C 2.327 178.957 176.519 0.184 0.000 1.217 68 W CA 2.330 59.836 57.345 0.268 0.000 1.257 68 W CB -0.537 29.015 29.460 0.153 0.000 1.145 68 W HN 0.464 nan 8.180 nan 0.000 0.509 69 E N -1.103 119.231 120.200 0.224 0.000 2.338 69 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 69 E C 0.900 177.558 176.600 0.097 0.000 1.007 69 E CA 1.590 57.994 56.400 0.008 0.000 0.849 69 E CB -0.413 29.278 29.700 -0.014 0.000 0.774 69 E HN 0.103 nan 8.360 nan 0.000 0.506 70 D N 0.184 120.749 120.400 0.274 0.000 2.379 70 D HA 0.152 4.791 4.640 -0.000 0.000 0.208 70 D C 0.333 176.812 176.300 0.299 0.000 1.065 70 D CA 0.122 54.308 54.000 0.311 0.000 0.848 70 D CB 0.150 41.196 40.800 0.410 0.000 0.949 70 D HN 0.213 nan 8.370 nan 0.000 0.509 71 M N 0.748 120.469 119.600 0.201 0.000 2.252 71 M HA 0.004 4.484 4.480 -0.000 0.000 0.333 71 M C 0.204 176.418 176.300 -0.143 0.000 1.111 71 M CA 0.243 55.420 55.300 -0.205 0.000 1.140 71 M CB 0.515 33.006 32.600 -0.181 0.000 1.538 71 M HN -0.235 nan 8.290 nan 0.000 0.448 72 D N 3.066 123.321 120.400 -0.241 0.000 2.396 72 D HA 0.161 4.801 4.640 -0.000 0.000 0.225 72 D C 0.145 176.287 176.300 -0.265 0.000 1.121 72 D CA -0.302 53.572 54.000 -0.210 0.000 0.853 72 D CB 0.704 41.326 40.800 -0.297 0.000 1.043 72 D HN 0.390 nan 8.370 nan 0.000 0.500 73 L N 2.595 123.716 121.223 -0.170 0.000 2.591 73 L HA 0.081 4.421 4.340 -0.000 0.000 0.228 73 L C 0.857 177.654 176.870 -0.121 0.000 1.133 73 L CA 0.208 54.968 54.840 -0.134 0.000 0.880 73 L CB -1.596 40.426 42.059 -0.061 0.000 1.033 73 L HN 0.345 nan 8.230 nan 0.000 0.450 74 S N -0.673 114.940 115.700 -0.145 0.000 2.531 74 S HA 0.056 4.526 4.470 -0.000 0.000 0.279 74 S C 1.505 176.048 174.600 -0.095 0.000 1.305 74 S CA 0.101 58.236 58.200 -0.108 0.000 1.058 74 S CB 1.078 64.210 63.200 -0.114 0.000 0.899 74 S HN 0.387 nan 8.310 nan 0.000 0.493 75 S N 1.959 117.636 115.700 -0.039 0.000 2.465 75 S HA -0.130 4.339 4.470 -0.000 0.000 0.241 75 S C 1.510 176.135 174.600 0.041 0.000 1.000 75 S CA 1.064 59.270 58.200 0.010 0.000 0.964 75 S CB -0.585 62.628 63.200 0.021 0.000 0.763 75 S HN 0.792 nan 8.310 nan 0.000 0.512 76 S N 1.571 117.272 115.700 0.003 0.000 2.577 76 S HA 0.174 4.644 4.470 -0.000 0.000 0.219 76 S C 0.717 175.321 174.600 0.006 0.000 0.962 76 S CA -0.881 57.335 58.200 0.026 0.000 0.921 76 S CB -0.463 62.738 63.200 0.001 0.000 0.789 76 S HN 0.726 nan 8.310 nan 0.000 0.497 77 R N 0.795 121.239 120.500 -0.094 0.000 2.740 77 R HA 0.037 4.377 4.340 -0.000 0.000 0.263 77 R C 0.637 176.887 176.300 -0.084 0.000 0.997 77 R CA 1.115 57.044 56.100 -0.286 0.000 1.108 77 R CB -0.448 29.516 30.300 -0.560 0.000 0.969 77 R HN 0.234 nan 8.270 nan 0.000 0.431 78 T N -1.803 112.604 114.554 -0.244 0.000 3.085 78 T HA 0.209 4.559 4.350 -0.000 0.000 0.264 78 T C -0.546 174.315 174.700 0.269 0.000 1.019 78 T CA -0.320 61.894 62.100 0.190 0.000 0.910 78 T CB -0.376 68.575 68.868 0.137 0.000 1.059 78 T HN 0.749 nan 8.240 nan 0.000 0.542 79 Y N -2.318 117.780 120.300 -0.338 0.000 2.765 79 Y HA 0.553 5.103 4.550 -0.000 0.000 0.350 79 Y C -0.375 174.994 175.900 -0.886 0.000 1.196 79 Y CA -1.999 55.746 58.100 -0.593 0.000 1.119 79 Y CB -0.190 38.225 38.460 -0.076 0.000 1.368 79 Y HN -0.191 nan 8.280 nan 0.000 0.463 80 I N -0.354 119.928 120.570 -0.481 0.000 2.339 80 I HA 0.028 4.198 4.170 -0.000 0.000 0.245 80 I C 0.177 175.998 176.117 -0.493 0.000 1.096 80 I CA 0.844 61.739 61.300 -0.675 0.000 1.408 80 I CB -0.275 37.250 38.000 -0.793 0.000 1.092 80 I HN 0.536 nan 8.210 nan 0.000 0.423 81 W N -0.340 121.007 121.300 0.078 0.000 2.739 81 W HA 0.167 4.827 4.660 -0.000 0.000 0.331 81 W C 0.950 177.300 176.519 -0.281 0.000 1.049 81 W CA -1.068 56.287 57.345 0.017 0.000 1.234 81 W CB 0.969 30.393 29.460 -0.061 0.000 1.404 81 W HN -0.004 nan 8.180 nan 0.000 0.477 82 Y N 2.950 123.030 120.300 -0.366 0.000 2.165 82 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 82 Y C 2.068 177.740 175.900 -0.380 0.000 1.155 82 Y CA 2.854 60.425 58.100 -0.882 0.000 1.164 82 Y CB -0.301 37.915 38.460 -0.407 0.000 0.978 82 Y HN 0.400 nan 8.280 nan 0.000 0.513 83 A N -0.556 122.147 122.820 -0.194 0.000 2.239 83 A HA 0.099 4.419 4.320 -0.000 0.000 0.209 83 A C 1.245 178.708 177.584 -0.201 0.000 1.171 83 A CA 1.111 53.017 52.037 -0.218 0.000 0.768 83 A CB -0.746 18.212 19.000 -0.069 0.000 0.790 83 A HN 0.520 nan 8.150 nan 0.000 0.478 84 L N -0.162 120.961 121.223 -0.167 0.000 3.510 84 L HA 0.166 4.506 4.340 -0.000 0.000 0.324 84 L C 0.527 177.361 176.870 -0.060 0.000 1.307 84 L CA -0.605 54.178 54.840 -0.095 0.000 1.011 84 L CB 0.109 42.154 42.059 -0.022 0.000 1.422 84 L HN 0.420 nan 8.230 nan 0.000 0.617 85 R N 0.491 120.887 120.500 -0.173 0.000 2.738 85 R HA 0.544 4.884 4.340 -0.000 0.000 0.268 85 R C 0.212 176.534 176.300 0.037 0.000 1.062 85 R CA 0.474 56.544 56.100 -0.051 0.000 1.158 85 R CB 0.329 30.520 30.300 -0.180 0.000 1.046 85 R HN 0.075 nan 8.270 nan 0.000 0.493 86 G N 1.780 110.670 108.800 0.151 0.000 2.599 86 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.440 86 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.440 86 G C -0.318 174.707 174.900 0.209 0.000 1.018 86 G CA -0.473 44.719 45.100 0.153 0.000 1.311 86 G HN 0.676 nan 8.290 nan 0.000 0.604 87 N N 0.186 119.037 118.700 0.250 0.000 2.588 87 N HA -0.066 4.674 4.740 -0.000 0.000 0.190 87 N C 1.971 177.678 175.510 0.328 0.000 1.094 87 N CA 1.389 54.606 53.050 0.278 0.000 0.921 87 N CB 0.221 38.824 38.487 0.193 0.000 0.959 87 N HN 0.850 nan 8.380 nan 0.000 0.448 88 G N -0.704 108.274 108.800 0.296 0.000 3.192 88 G HA2 0.003 3.963 3.960 -0.000 0.000 0.239 88 G HA3 0.003 3.963 3.960 -0.000 0.000 0.239 88 G C 0.104 175.268 174.900 0.440 0.000 1.084 88 G CA -0.135 45.185 45.100 0.367 0.000 0.784 88 G HN 0.104 nan 8.290 nan 0.000 0.540 89 T N 2.105 116.837 114.554 0.297 0.000 2.863 89 T HA 0.294 4.644 4.350 -0.000 0.000 0.299 89 T C 1.868 176.602 174.700 0.057 0.000 0.973 89 T CA 0.353 62.575 62.100 0.204 0.000 0.994 89 T CB 1.247 70.186 68.868 0.119 0.000 0.961 89 T HN 0.304 nan 8.240 nan 0.000 0.552 90 S N 3.015 118.710 115.700 -0.009 0.000 2.380 90 S HA -0.266 4.204 4.470 -0.000 0.000 0.229 90 S C 1.446 175.760 174.600 -0.477 0.000 1.043 90 S CA 1.661 59.542 58.200 -0.532 0.000 1.038 90 S CB -0.410 62.474 63.200 -0.528 0.000 0.872 90 S HN 0.598 nan 8.310 nan 0.000 0.456 91 D N 1.973 122.251 120.400 -0.205 0.000 2.106 91 D HA -0.080 4.560 4.640 -0.000 0.000 0.191 91 D C 2.029 178.124 176.300 -0.342 0.000 0.997 91 D CA 1.627 55.450 54.000 -0.295 0.000 0.834 91 D CB -0.642 40.134 40.800 -0.040 0.000 0.956 91 D HN 0.654 nan 8.370 nan 0.000 0.448 92 N N -0.393 118.192 118.700 -0.191 0.000 2.106 92 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 92 N C 1.871 177.293 175.510 -0.147 0.000 1.029 92 N CA 0.728 53.692 53.050 -0.143 0.000 0.848 92 N CB 0.129 38.585 38.487 -0.052 0.000 1.007 92 N HN -0.024 nan 8.380 nan 0.000 0.423 93 V N 2.014 121.839 119.914 -0.147 0.000 2.287 93 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 93 V C 2.175 178.181 176.094 -0.146 0.000 1.053 93 V CA 1.482 63.739 62.300 -0.072 0.000 1.027 93 V CB -0.741 31.031 31.823 -0.084 0.000 0.646 93 V HN 0.454 nan 8.190 nan 0.000 0.447 94 N N 0.389 118.819 118.700 -0.450 0.000 2.149 94 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 94 N C 1.845 177.165 175.510 -0.316 0.000 1.019 94 N CA 1.716 54.465 53.050 -0.503 0.000 0.857 94 N CB -0.013 37.922 38.487 -0.920 0.000 0.997 94 N HN 0.486 nan 8.380 nan 0.000 0.426 95 A N 0.642 123.270 122.820 -0.319 0.000 1.930 95 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 95 A C 2.470 179.895 177.584 -0.267 0.000 1.175 95 A CA 1.067 52.925 52.037 -0.297 0.000 0.627 95 A CB -0.611 18.212 19.000 -0.295 0.000 0.815 95 A HN 0.189 nan 8.150 nan 0.000 0.443 96 V N -1.541 118.291 119.914 -0.137 0.000 2.343 96 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 96 V C 2.334 178.390 176.094 -0.063 0.000 1.051 96 V CA 1.929 64.225 62.300 -0.006 0.000 1.036 96 V CB -1.078 30.803 31.823 0.096 0.000 0.654 96 V HN 0.655 nan 8.190 nan 0.000 0.451 97 Y N 0.677 120.897 120.300 -0.134 0.000 2.242 97 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 97 Y C 2.585 178.386 175.900 -0.165 0.000 1.137 97 Y CA 1.570 59.581 58.100 -0.148 0.000 1.181 97 Y CB -0.227 38.088 38.460 -0.241 0.000 0.989 97 Y HN 0.324 nan 8.280 nan 0.000 0.527 98 E N -0.071 120.078 120.200 -0.085 0.000 2.038 98 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 98 E C 2.270 178.750 176.600 -0.199 0.000 1.000 98 E CA 1.223 57.533 56.400 -0.149 0.000 0.803 98 E CB -0.215 29.354 29.700 -0.218 0.000 0.750 98 E HN 0.456 nan 8.360 nan 0.000 0.448 99 R N 0.532 120.802 120.500 -0.383 0.000 2.083 99 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 99 R C 2.562 178.759 176.300 -0.171 0.000 1.137 99 R CA 1.160 56.897 56.100 -0.604 0.000 0.951 99 R CB -0.494 28.986 30.300 -1.366 0.000 0.851 99 R HN 0.188 nan 8.270 nan 0.000 0.434 100 L N 0.187 121.396 121.223 -0.024 0.000 2.131 100 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 100 L C 2.795 179.666 176.870 0.002 0.000 1.092 100 L CA 1.233 56.097 54.840 0.039 0.000 0.759 100 L CB -0.364 41.672 42.059 -0.038 0.000 0.903 100 L HN 0.216 nan 8.230 nan 0.000 0.435 101 R N -0.429 120.065 120.500 -0.010 0.000 2.073 101 R HA -0.133 4.207 4.340 -0.000 0.000 0.229 101 R C 2.201 178.510 176.300 0.014 0.000 1.120 101 R CA 1.817 57.923 56.100 0.009 0.000 0.967 101 R CB -0.247 30.057 30.300 0.007 0.000 0.862 101 R HN 0.171 nan 8.270 nan 0.000 0.436 102 T N 1.246 115.809 114.554 0.015 0.000 2.720 102 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 102 T C 1.813 176.554 174.700 0.068 0.000 1.037 102 T CA 1.874 64.008 62.100 0.056 0.000 1.144 102 T CB -0.113 68.836 68.868 0.135 0.000 0.864 102 T HN 0.255 nan 8.240 nan 0.000 0.444 103 M N 0.825 120.475 119.600 0.082 0.000 2.117 103 M HA -0.069 4.411 4.480 -0.000 0.000 0.262 103 M C 2.794 179.080 176.300 -0.024 0.000 1.065 103 M CA 1.619 56.944 55.300 0.042 0.000 1.114 103 M CB -0.455 32.170 32.600 0.041 0.000 1.361 103 M HN 0.300 nan 8.290 nan 0.000 0.408 104 A N 0.488 123.297 122.820 -0.017 0.000 1.902 104 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 104 A C 2.115 179.700 177.584 0.001 0.000 1.181 104 A CA 1.433 53.457 52.037 -0.022 0.000 0.623 104 A CB -0.935 18.066 19.000 0.001 0.000 0.818 104 A HN 0.434 nan 8.150 nan 0.000 0.443 105 L N -0.722 120.512 121.223 0.018 0.000 2.017 105 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 105 L C 3.096 179.990 176.870 0.039 0.000 1.073 105 L CA 1.236 56.093 54.840 0.029 0.000 0.745 105 L CB -0.519 41.553 42.059 0.020 0.000 0.894 105 L HN 0.427 nan 8.230 nan 0.000 0.432 106 A N -0.280 122.558 122.820 0.030 0.000 2.024 106 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 106 A C 2.342 179.955 177.584 0.048 0.000 1.164 106 A CA 1.701 53.761 52.037 0.039 0.000 0.643 106 A CB -0.627 18.391 19.000 0.030 0.000 0.806 106 A HN 0.432 nan 8.150 nan 0.000 0.451 107 A N -0.943 121.877 122.820 -0.001 0.000 2.208 107 A HA 0.188 4.508 4.320 -0.000 0.000 0.209 107 A C 1.831 179.384 177.584 -0.051 0.000 1.161 107 A CA 1.751 53.758 52.037 -0.050 0.000 0.782 107 A CB -0.477 18.448 19.000 -0.124 0.000 0.816 107 A HN 0.770 nan 8.150 nan 0.000 0.477 108 T N -5.048 109.546 114.554 0.065 0.000 3.058 108 T HA 0.190 4.540 4.350 -0.000 0.000 0.278 108 T C 0.228 175.147 174.700 0.364 0.000 0.974 108 T CA 0.198 62.383 62.100 0.142 0.000 0.893 108 T CB -0.015 68.897 68.868 0.074 0.000 1.138 108 T HN 0.028 nan 8.240 nan 0.000 0.529 109 T N 3.230 117.958 114.554 0.289 0.000 2.733 109 T HA 0.505 4.854 4.350 -0.000 0.000 0.294 109 T C 0.274 174.992 174.700 0.030 0.000 0.956 109 T CA -0.365 61.821 62.100 0.143 0.000 0.987 109 T CB 1.204 70.107 68.868 0.058 0.000 0.920 109 T HN 0.170 nan 8.240 nan 0.000 0.470 110 V N 3.737 123.513 119.914 -0.230 0.000 2.681 110 V HA 0.273 4.392 4.120 -0.000 0.000 0.306 110 V C 1.659 177.603 176.094 -0.250 0.000 1.077 110 V CA 1.764 63.746 62.300 -0.530 0.000 1.224 110 V CB 0.106 31.686 31.823 -0.406 0.000 0.879 110 V HN 1.258 nan 8.190 nan 0.000 0.494 111 G N 3.527 112.192 108.800 -0.226 0.000 2.254 111 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.225 111 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.225 111 G C 0.551 175.431 174.900 -0.034 0.000 1.003 111 G CA 0.252 45.291 45.100 -0.102 0.000 0.622 111 G HN 1.088 nan 8.290 nan 0.000 0.507 112 S N 0.755 116.457 115.700 0.003 0.000 2.572 112 S HA 0.478 4.948 4.470 -0.000 0.000 0.279 112 S C 1.778 176.428 174.600 0.084 0.000 1.341 112 S CA 0.962 59.195 58.200 0.056 0.000 1.043 112 S CB 1.009 64.267 63.200 0.097 0.000 0.887 112 S HN 1.513 nan 8.310 nan 0.000 0.516 113 S N 3.930 119.672 115.700 0.070 0.000 2.660 113 S HA 0.176 4.646 4.470 -0.000 0.000 0.223 113 S C 0.866 175.529 174.600 0.106 0.000 0.963 113 S CA 0.059 58.306 58.200 0.079 0.000 0.932 113 S CB -0.461 62.776 63.200 0.061 0.000 0.775 113 S HN 0.706 nan 8.310 nan 0.000 0.531 114 L N -0.647 120.644 121.223 0.115 0.000 3.086 114 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 114 L C 0.150 177.071 176.870 0.084 0.000 1.184 114 L CA -0.618 54.280 54.840 0.097 0.000 1.002 114 L CB 0.011 42.108 42.059 0.063 0.000 1.383 114 L HN 0.274 nan 8.230 nan 0.000 0.582 115 Y N 1.962 122.268 120.300 0.009 0.000 2.895 115 Y HA 0.154 4.704 4.550 -0.000 0.000 0.334 115 Y C 1.512 177.416 175.900 0.008 0.000 1.261 115 Y CA 1.114 59.217 58.100 0.005 0.000 1.560 115 Y CB 0.510 38.974 38.460 0.008 0.000 1.253 115 Y HN 0.284 nan 8.280 nan 0.000 0.582 116 G N 4.168 112.593 108.800 -0.626 0.000 2.196 116 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.268 116 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.268 116 G C 0.364 175.159 174.900 -0.175 0.000 0.975 116 G CA 0.328 45.162 45.100 -0.443 0.000 0.648 116 G HN 0.880 nan 8.290 nan 0.000 0.538 117 N N 1.058 119.692 118.700 -0.111 0.000 2.406 117 N HA 0.362 5.102 4.740 -0.000 0.000 0.274 117 N C 1.708 177.176 175.510 -0.071 0.000 1.249 117 N CA 0.874 53.900 53.050 -0.041 0.000 0.951 117 N CB 0.554 39.043 38.487 0.004 0.000 1.241 117 N HN 0.493 nan 8.380 nan 0.000 0.485 118 A N 4.425 127.224 122.820 -0.036 0.000 1.892 118 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 118 A C 1.689 179.261 177.584 -0.019 0.000 1.188 118 A CA 1.614 53.631 52.037 -0.032 0.000 0.631 118 A CB -0.259 18.737 19.000 -0.006 0.000 0.822 118 A HN 0.729 nan 8.150 nan 0.000 0.447 119 D N -0.507 119.923 120.400 0.051 0.000 2.116 119 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 119 D C 1.875 178.175 176.300 -0.001 0.000 0.998 119 D CA 1.633 55.716 54.000 0.137 0.000 0.836 119 D CB -0.438 40.571 40.800 0.348 0.000 0.951 119 D HN 0.381 nan 8.370 nan 0.000 0.449 120 L N 1.574 122.597 121.223 -0.333 0.000 1.994 120 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 120 L C 2.083 178.682 176.870 -0.451 0.000 1.071 120 L CA 1.803 56.097 54.840 -0.909 0.000 0.745 120 L CB -0.405 41.061 42.059 -0.989 0.000 0.892 120 L HN -0.138 nan 8.230 nan 0.000 0.431 121 K N -0.650 119.594 120.400 -0.260 0.000 2.044 121 K HA -0.272 4.048 4.320 -0.000 0.000 0.210 121 K C 2.104 178.641 176.600 -0.104 0.000 1.049 121 K CA 1.824 58.018 56.287 -0.155 0.000 0.927 121 K CB -0.289 32.148 32.500 -0.105 0.000 0.713 121 K HN 0.289 nan 8.250 nan 0.000 0.443 122 E N 1.477 121.635 120.200 -0.071 0.000 2.072 122 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 122 E C 1.420 178.007 176.600 -0.022 0.000 0.985 122 E CA 1.548 57.934 56.400 -0.023 0.000 0.801 122 E CB -0.183 29.521 29.700 0.007 0.000 0.750 122 E HN 0.146 nan 8.360 nan 0.000 0.452 123 D N -0.343 120.032 120.400 -0.043 0.000 2.178 123 D HA -0.102 4.537 4.640 -0.000 0.000 0.201 123 D C 1.900 178.146 176.300 -0.089 0.000 0.980 123 D CA 0.883 54.867 54.000 -0.026 0.000 0.842 123 D CB -0.081 40.753 40.800 0.058 0.000 0.948 123 D HN 0.324 nan 8.370 nan 0.000 0.472 124 I N 0.128 120.618 120.570 -0.133 0.000 2.233 124 I HA -0.195 3.974 4.170 -0.000 0.000 0.243 124 I C 2.296 178.372 176.117 -0.067 0.000 1.093 124 I CA 0.610 61.840 61.300 -0.116 0.000 1.380 124 I CB -0.147 37.780 38.000 -0.121 0.000 1.067 124 I HN -0.017 nan 8.210 nan 0.000 0.413 125 L N 0.281 121.491 121.223 -0.020 0.000 2.083 125 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 125 L C 2.094 179.019 176.870 0.093 0.000 1.083 125 L CA 1.169 56.045 54.840 0.060 0.000 0.752 125 L CB -0.714 41.399 42.059 0.089 0.000 0.899 125 L HN 0.288 nan 8.230 nan 0.000 0.433 126 D N 0.231 120.662 120.400 0.052 0.000 2.144 126 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 126 D C 2.219 178.573 176.300 0.090 0.000 0.978 126 D CA 1.390 55.436 54.000 0.077 0.000 0.833 126 D CB 0.136 40.960 40.800 0.041 0.000 0.961 126 D HN 0.300 nan 8.370 nan 0.000 0.470 127 A N 0.943 123.762 122.820 -0.000 0.000 1.877 127 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 127 A C 2.413 180.026 177.584 0.049 0.000 1.186 127 A CA 0.870 52.882 52.037 -0.042 0.000 0.620 127 A CB -0.822 18.061 19.000 -0.196 0.000 0.822 127 A HN 0.201 nan 8.150 nan 0.000 0.443 128 L N -0.341 120.874 121.223 -0.014 0.000 2.079 128 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 128 L C 2.044 179.065 176.870 0.252 0.000 1.081 128 L CA 1.506 56.329 54.840 -0.028 0.000 0.752 128 L CB -0.786 41.072 42.059 -0.335 0.000 0.896 128 L HN 0.346 nan 8.230 nan 0.000 0.433 129 D N -0.886 119.705 120.400 0.317 0.000 2.097 129 D HA -0.218 4.422 4.640 -0.000 0.000 0.197 129 D C 1.735 178.236 176.300 0.336 0.000 0.984 129 D CA 1.052 55.278 54.000 0.376 0.000 0.826 129 D CB -0.326 40.638 40.800 0.274 0.000 0.973 129 D HN 0.397 nan 8.370 nan 0.000 0.460 130 W N 1.657 123.021 121.300 0.107 0.000 2.338 130 W HA -0.135 4.525 4.660 -0.000 0.000 0.304 130 W C 2.062 178.634 176.519 0.088 0.000 1.212 130 W CA 1.221 58.603 57.345 0.061 0.000 1.264 130 W CB -0.340 29.115 29.460 -0.008 0.000 1.142 130 W HN -0.096 nan 8.180 nan 0.000 0.512 131 L N -0.671 120.783 121.223 0.385 0.000 2.046 131 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 131 L C 2.479 179.494 176.870 0.241 0.000 1.077 131 L CA 1.730 56.750 54.840 0.301 0.000 0.747 131 L CB -1.456 40.772 42.059 0.281 0.000 0.896 131 L HN 0.092 nan 8.230 nan 0.000 0.432 132 Y N 0.545 120.976 120.300 0.218 0.000 2.128 132 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 132 Y C 2.323 178.255 175.900 0.052 0.000 1.154 132 Y CA 1.760 59.983 58.100 0.206 0.000 1.149 132 Y CB -0.540 38.066 38.460 0.242 0.000 0.976 132 Y HN -0.130 nan 8.280 nan 0.000 0.505 133 V N 0.782 120.530 119.914 -0.277 0.000 2.358 133 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 133 V C 1.394 177.221 176.094 -0.445 0.000 1.047 133 V CA 2.383 64.420 62.300 -0.439 0.000 1.035 133 V CB -0.663 30.993 31.823 -0.279 0.000 0.658 133 V HN 0.429 nan 8.190 nan 0.000 0.452 134 N N -1.510 116.870 118.700 -0.533 0.000 2.282 134 N HA 0.066 4.806 4.740 -0.000 0.000 0.185 134 N C 1.439 176.790 175.510 -0.265 0.000 1.099 134 N CA 0.765 53.492 53.050 -0.538 0.000 0.878 134 N CB 0.929 38.769 38.487 -1.077 0.000 0.993 134 N HN 0.371 nan 8.380 nan 0.000 0.481 135 S N -1.413 114.232 115.700 -0.091 0.000 3.770 135 S HA 0.160 4.630 4.470 -0.000 0.000 0.238 135 S C -0.768 174.027 174.600 0.324 0.000 1.143 135 S CA -0.507 57.784 58.200 0.152 0.000 0.869 135 S CB -0.338 63.035 63.200 0.288 0.000 1.057 135 S HN 0.232 nan 8.310 nan 0.000 0.507 136 Y N 5.114 125.568 120.300 0.258 0.000 2.594 136 Y HA 0.518 5.068 4.550 -0.000 0.000 0.342 136 Y C -0.184 175.924 175.900 0.347 0.000 1.010 136 Y CA -0.333 57.972 58.100 0.342 0.000 1.270 136 Y CB -0.036 38.661 38.460 0.394 0.000 1.125 136 Y HN 0.505 nan 8.280 nan 0.000 0.513 137 N N 0.344 119.106 118.700 0.103 0.000 2.927 137 N HA 0.046 4.786 4.740 -0.000 0.000 0.248 137 N C -0.380 175.030 175.510 -0.167 0.000 1.443 137 N CA -0.498 52.549 53.050 -0.006 0.000 0.870 137 N CB 1.137 39.463 38.487 -0.268 0.000 1.444 137 N HN 0.335 nan 8.380 nan 0.000 0.519 138 S N -1.683 113.769 115.700 -0.412 0.000 2.723 138 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 138 S C 1.305 175.418 174.600 -0.811 0.000 0.967 138 S CA 1.089 58.633 58.200 -1.094 0.000 0.958 138 S CB -1.188 61.300 63.200 -1.185 0.000 0.778 138 S HN 0.736 nan 8.310 nan 0.000 0.537 139 T N -1.380 112.923 114.554 -0.418 0.000 3.065 139 T HA 0.267 4.617 4.350 -0.000 0.000 0.252 139 T C 0.715 175.296 174.700 -0.199 0.000 1.099 139 T CA -0.503 61.426 62.100 -0.284 0.000 1.063 139 T CB -0.067 68.675 68.868 -0.209 0.000 0.948 139 T HN 0.349 nan 8.240 nan 0.000 0.506 140 R N 1.486 121.885 120.500 -0.168 0.000 2.528 140 R HA 0.566 4.906 4.340 -0.000 0.000 0.271 140 R C 0.129 176.414 176.300 -0.026 0.000 1.056 140 R CA -0.481 55.557 56.100 -0.104 0.000 1.117 140 R CB 0.882 31.102 30.300 -0.133 0.000 1.085 140 R HN 0.198 nan 8.270 nan 0.000 0.530 141 S N 0.304 115.972 115.700 -0.053 0.000 2.549 141 S HA 0.063 4.533 4.470 -0.000 0.000 0.279 141 S C 1.056 175.690 174.600 0.057 0.000 1.321 141 S CA -0.404 57.800 58.200 0.006 0.000 1.054 141 S CB 0.694 63.895 63.200 0.001 0.000 0.899 141 S HN 0.529 nan 8.310 nan 0.000 0.497 142 R N 1.967 122.499 120.500 0.053 0.000 2.189 142 R HA -0.006 4.334 4.340 -0.000 0.000 0.218 142 R C 1.653 178.101 176.300 0.246 0.000 1.074 142 R CA 1.292 57.473 56.100 0.133 0.000 0.991 142 R CB -0.168 30.048 30.300 -0.140 0.000 0.883 142 R HN 0.751 nan 8.270 nan 0.000 0.457 143 S N -0.468 115.334 115.700 0.171 0.000 2.568 143 S HA 0.346 4.816 4.470 -0.000 0.000 0.232 143 S C 0.540 175.314 174.600 0.291 0.000 0.975 143 S CA -0.575 57.768 58.200 0.238 0.000 0.949 143 S CB 0.670 63.937 63.200 0.112 0.000 0.829 143 S HN 0.218 nan 8.310 nan 0.000 0.479 144 A N 1.648 124.610 122.820 0.237 0.000 2.445 144 A HA 0.433 4.753 4.320 -0.000 0.000 0.242 144 A C -0.219 177.682 177.584 0.528 0.000 1.075 144 A CA -0.404 51.800 52.037 0.279 0.000 0.777 144 A CB -0.271 18.788 19.000 0.098 0.000 1.013 144 A HN 0.596 nan 8.150 nan 0.000 0.493 145 Y N 2.245 122.773 120.300 0.380 0.000 2.632 145 Y HA 0.055 4.605 4.550 -0.000 0.000 0.329 145 Y C 0.668 176.827 175.900 0.432 0.000 1.174 145 Y CA 0.865 59.175 58.100 0.351 0.000 1.469 145 Y CB 0.239 38.836 38.460 0.227 0.000 1.242 145 Y HN 0.748 nan 8.280 nan 0.000 0.540 146 N N 7.323 125.786 118.700 -0.394 0.000 2.437 146 N HA 0.050 4.790 4.740 -0.000 0.000 0.259 146 N C 1.115 176.469 175.510 -0.261 0.000 0.983 146 N CA -0.721 51.881 53.050 -0.747 0.000 0.937 146 N CB 0.368 38.047 38.487 -1.348 0.000 1.122 146 N HN 0.943 nan 8.380 nan 0.000 0.499 147 W N 4.013 125.383 121.300 0.117 0.000 2.308 147 W HA -0.219 4.441 4.660 -0.000 0.000 0.301 147 W C 1.014 177.586 176.519 0.088 0.000 1.220 147 W CA 0.363 57.850 57.345 0.237 0.000 1.240 147 W CB -1.027 28.538 29.460 0.176 0.000 1.142 147 W HN 0.677 nan 8.180 nan 0.000 0.521 148 W N 2.025 122.330 121.300 -1.658 0.000 2.338 148 W HA -0.206 4.454 4.660 -0.000 0.000 0.304 148 W C 2.769 178.796 176.519 -0.819 0.000 1.212 148 W CA 3.158 59.555 57.345 -1.580 0.000 1.264 148 W CB -0.997 27.527 29.460 -1.561 0.000 1.142 148 W HN 0.032 nan 8.180 nan 0.000 0.512 149 H N -2.742 115.982 119.070 -0.577 0.000 2.326 149 H HA -0.172 4.384 4.556 -0.000 0.000 0.301 149 H C 1.923 176.796 175.328 -0.758 0.000 1.081 149 H CA 1.844 57.464 56.048 -0.713 0.000 1.334 149 H CB -0.831 28.421 29.762 -0.851 0.000 1.385 149 H HN 0.189 nan 8.280 nan 0.000 0.504 150 W N 1.210 122.348 121.300 -0.270 0.000 2.363 150 W HA -0.122 4.538 4.660 -0.000 0.000 0.296 150 W C 2.294 178.583 176.519 -0.384 0.000 1.212 150 W CA 0.616 57.741 57.345 -0.366 0.000 1.260 150 W CB 0.054 29.400 29.460 -0.189 0.000 1.131 150 W HN 0.243 nan 8.180 nan 0.000 0.530 151 Q N -0.645 119.148 119.800 -0.011 0.000 2.297 151 Q HA 0.076 4.416 4.340 -0.000 0.000 0.203 151 Q C 1.939 177.804 176.000 -0.224 0.000 0.931 151 Q CA 0.812 56.627 55.803 0.020 0.000 0.885 151 Q CB 0.110 28.976 28.738 0.214 0.000 0.991 151 Q HN 0.379 nan 8.270 nan 0.000 0.498 152 L N -1.821 119.025 121.223 -0.628 0.000 2.614 152 L HA 0.285 4.625 4.340 -0.000 0.000 0.185 152 L C 2.266 178.521 176.870 -1.025 0.000 1.098 152 L CA 0.571 54.889 54.840 -0.870 0.000 0.852 152 L CB -0.708 40.550 42.059 -1.335 0.000 1.213 152 L HN 0.159 nan 8.230 nan 0.000 0.491 153 G N 1.155 109.072 108.800 -1.472 0.000 2.491 153 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 153 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 153 G C 1.532 176.065 174.900 -0.612 0.000 1.180 153 G CA 1.129 45.648 45.100 -0.969 0.000 0.774 153 G HN 0.201 nan 8.290 nan 0.000 0.562 154 I N 1.399 121.556 120.570 -0.688 0.000 2.202 154 I HA -0.073 4.097 4.170 -0.000 0.000 0.242 154 I C -0.173 175.548 176.117 -0.660 0.000 1.091 154 I CA 0.797 61.585 61.300 -0.852 0.000 1.368 154 I CB -0.858 36.325 38.000 -1.362 0.000 1.058 154 I HN 0.151 nan 8.210 nan 0.000 0.410 155 P HA -0.173 nan 4.420 nan 0.000 0.215 155 P C 1.902 179.097 177.300 -0.175 0.000 1.153 155 P CA 1.657 64.633 63.100 -0.206 0.000 0.853 155 P CB -0.049 31.591 31.700 -0.100 0.000 0.788 156 M N -1.436 118.032 119.600 -0.220 0.000 2.149 156 M HA -0.145 4.334 4.480 -0.000 0.000 0.261 156 M C 2.069 178.340 176.300 -0.049 0.000 1.064 156 M CA 1.705 56.938 55.300 -0.112 0.000 1.102 156 M CB -0.733 31.788 32.600 -0.131 0.000 1.369 156 M HN -0.065 nan 8.290 nan 0.000 0.408 157 S N 0.607 116.238 115.700 -0.115 0.000 2.362 157 S HA -0.062 4.408 4.470 -0.000 0.000 0.221 157 S C 1.693 176.304 174.600 0.018 0.000 1.032 157 S CA 0.793 58.971 58.200 -0.038 0.000 0.973 157 S CB -0.255 62.913 63.200 -0.054 0.000 0.849 157 S HN 0.312 nan 8.310 nan 0.000 0.465 158 L N 2.933 124.135 121.223 -0.034 0.000 2.046 158 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 158 L C 1.728 178.631 176.870 0.055 0.000 1.077 158 L CA 1.664 56.525 54.840 0.035 0.000 0.747 158 L CB -1.053 40.998 42.059 -0.014 0.000 0.896 158 L HN 0.146 nan 8.230 nan 0.000 0.432 159 N N 0.190 118.913 118.700 0.039 0.000 2.069 159 N HA -0.196 4.544 4.740 -0.000 0.000 0.191 159 N C 1.510 177.091 175.510 0.120 0.000 1.031 159 N CA 1.706 54.789 53.050 0.055 0.000 0.852 159 N CB -0.427 38.050 38.487 -0.017 0.000 1.018 159 N HN 0.426 nan 8.380 nan 0.000 0.423 160 D N 0.685 121.185 120.400 0.166 0.000 2.104 160 D HA -0.110 4.530 4.640 -0.000 0.000 0.194 160 D C 2.162 178.568 176.300 0.176 0.000 0.994 160 D CA 0.658 54.811 54.000 0.254 0.000 0.830 160 D CB -0.487 40.451 40.800 0.230 0.000 0.959 160 D HN 0.091 nan 8.370 nan 0.000 0.452 161 I N 1.382 122.023 120.570 0.117 0.000 2.179 161 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 161 I C 2.768 178.957 176.117 0.120 0.000 1.088 161 I CA 0.991 62.343 61.300 0.087 0.000 1.357 161 I CB -1.415 36.605 38.000 0.034 0.000 1.051 161 I HN 0.189 nan 8.210 nan 0.000 0.409 162 A N -0.115 122.791 122.820 0.143 0.000 1.940 162 A HA -0.184 4.135 4.320 -0.000 0.000 0.219 162 A C 2.498 180.241 177.584 0.265 0.000 1.176 162 A CA 2.096 54.263 52.037 0.217 0.000 0.631 162 A CB -0.923 18.218 19.000 0.236 0.000 0.814 162 A HN 0.401 nan 8.150 nan 0.000 0.446 163 V N -0.160 119.889 119.914 0.225 0.000 2.358 163 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 163 V C 2.554 178.776 176.094 0.213 0.000 1.047 163 V CA 1.892 64.324 62.300 0.221 0.000 1.035 163 V CB -0.628 31.361 31.823 0.278 0.000 0.658 163 V HN 0.572 nan 8.190 nan 0.000 0.452 164 L N -0.682 120.650 121.223 0.182 0.000 2.027 164 L HA -0.086 4.253 4.340 -0.000 0.000 0.206 164 L C 1.748 178.694 176.870 0.126 0.000 1.074 164 L CA 1.461 56.382 54.840 0.135 0.000 0.745 164 L CB -0.336 41.781 42.059 0.097 0.000 0.898 164 L HN 0.258 nan 8.230 nan 0.000 0.433 165 L N -1.509 119.790 121.223 0.126 0.000 2.728 165 L HA 0.017 4.357 4.340 -0.000 0.000 0.235 165 L C 1.733 178.688 176.870 0.141 0.000 1.197 165 L CA -0.315 54.584 54.840 0.097 0.000 0.992 165 L CB -0.571 41.521 42.059 0.056 0.000 1.263 165 L HN 0.150 nan 8.230 nan 0.000 0.484 166 Y N 1.863 122.201 120.300 0.063 0.000 2.040 166 Y HA -0.379 4.171 4.550 -0.000 0.000 0.275 166 Y C 2.187 178.113 175.900 0.043 0.000 1.171 166 Y CA 2.224 60.361 58.100 0.063 0.000 1.123 166 Y CB 0.049 38.550 38.460 0.067 0.000 0.963 166 Y HN 0.340 nan 8.280 nan 0.000 0.493 167 D N -0.149 120.338 120.400 0.146 0.000 2.190 167 D HA -0.185 4.455 4.640 -0.000 0.000 0.200 167 D C 1.231 177.502 176.300 -0.048 0.000 0.992 167 D CA 1.952 55.970 54.000 0.030 0.000 0.854 167 D CB -0.499 40.358 40.800 0.095 0.000 0.936 167 D HN 0.607 nan 8.370 nan 0.000 0.462 168 D N -0.428 119.957 120.400 -0.024 0.000 2.339 168 D HA 0.132 4.772 4.640 -0.000 0.000 0.217 168 D C 0.316 176.591 176.300 -0.042 0.000 1.050 168 D CA 0.039 54.020 54.000 -0.031 0.000 0.856 168 D CB 0.449 41.239 40.800 -0.016 0.000 0.922 168 D HN 0.219 nan 8.370 nan 0.000 0.518 169 I N 1.644 122.166 120.570 -0.081 0.000 2.315 169 I HA 0.125 4.295 4.170 -0.000 0.000 0.291 169 I C 0.643 176.663 176.117 -0.162 0.000 1.006 169 I CA -0.758 60.494 61.300 -0.080 0.000 1.265 169 I CB 1.167 39.148 38.000 -0.032 0.000 1.387 169 I HN -0.023 nan 8.210 nan 0.000 0.475 170 S N 4.793 120.413 115.700 -0.133 0.000 2.600 170 S HA 0.337 4.806 4.470 -0.000 0.000 0.265 170 S C 1.233 175.721 174.600 -0.186 0.000 1.325 170 S CA -0.166 57.947 58.200 -0.144 0.000 1.002 170 S CB 1.611 64.745 63.200 -0.109 0.000 0.921 170 S HN 0.717 nan 8.310 nan 0.000 0.554 171 A N 1.966 124.688 122.820 -0.163 0.000 1.865 171 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 171 A C 2.476 179.943 177.584 -0.195 0.000 1.191 171 A CA 2.014 53.952 52.037 -0.165 0.000 0.623 171 A CB -1.829 17.098 19.000 -0.122 0.000 0.826 171 A HN 1.440 nan 8.150 nan 0.000 0.444 172 A N -0.393 122.323 122.820 -0.174 0.000 1.927 172 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 172 A C 2.277 179.679 177.584 -0.303 0.000 1.185 172 A CA 2.040 53.962 52.037 -0.190 0.000 0.639 172 A CB -0.513 18.405 19.000 -0.137 0.000 0.820 172 A HN 0.582 nan 8.150 nan 0.000 0.451 173 R N -2.254 118.029 120.500 -0.362 0.000 2.062 173 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 173 R C 2.261 177.915 176.300 -1.077 0.000 1.128 173 R CA 1.557 57.255 56.100 -0.670 0.000 0.960 173 R CB -0.358 29.654 30.300 -0.481 0.000 0.855 173 R HN 0.526 nan 8.270 nan 0.000 0.432 174 M N 0.763 119.993 119.600 -0.616 0.000 2.149 174 M HA -0.125 4.355 4.480 -0.000 0.000 0.261 174 M C 2.028 178.138 176.300 -0.317 0.000 1.064 174 M CA 1.714 56.778 55.300 -0.394 0.000 1.102 174 M CB -0.363 32.127 32.600 -0.183 0.000 1.369 174 M HN 0.185 nan 8.290 nan 0.000 0.408 175 A N -0.772 121.860 122.820 -0.313 0.000 1.865 175 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 175 A C 2.278 179.698 177.584 -0.273 0.000 1.191 175 A CA 2.876 54.773 52.037 -0.233 0.000 0.623 175 A CB -1.758 17.116 19.000 -0.210 0.000 0.826 175 A HN 0.687 nan 8.150 nan 0.000 0.444 176 T N -2.787 111.486 114.554 -0.468 0.000 2.833 176 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 176 T C 1.777 176.342 174.700 -0.224 0.000 1.054 176 T CA 1.555 63.258 62.100 -0.662 0.000 1.135 176 T CB -0.703 67.456 68.868 -1.182 0.000 0.869 176 T HN 0.628 nan 8.240 nan 0.000 0.466 177 Y N 0.676 120.894 120.300 -0.136 0.000 2.114 177 Y HA 0.029 4.579 4.550 -0.000 0.000 0.284 177 Y C 3.086 179.022 175.900 0.060 0.000 1.119 177 Y CA 0.412 58.534 58.100 0.038 0.000 1.108 177 Y CB -0.311 38.188 38.460 0.065 0.000 0.995 177 Y HN 0.073 nan 8.280 nan 0.000 0.491 178 M N 0.266 119.974 119.600 0.179 0.000 2.159 178 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 178 M C 1.365 177.706 176.300 0.069 0.000 1.063 178 M CA 1.375 56.737 55.300 0.104 0.000 1.110 178 M CB -1.012 31.615 32.600 0.045 0.000 1.374 178 M HN 0.290 nan 8.290 nan 0.000 0.411 179 D N -0.065 120.349 120.400 0.023 0.000 2.144 179 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 179 D C 1.901 178.244 176.300 0.071 0.000 0.984 179 D CA 1.462 55.471 54.000 0.015 0.000 0.834 179 D CB -0.211 40.566 40.800 -0.037 0.000 0.955 179 D HN 0.330 nan 8.370 nan 0.000 0.465 180 T N 1.096 115.718 114.554 0.113 0.000 2.777 180 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 180 T C 2.250 177.110 174.700 0.266 0.000 1.040 180 T CA 0.424 62.621 62.100 0.161 0.000 1.141 180 T CB -0.054 68.911 68.868 0.162 0.000 0.868 180 T HN 0.160 nan 8.240 nan 0.000 0.444 181 I N 1.206 121.926 120.570 0.251 0.000 2.226 181 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 181 I C 2.490 178.714 176.117 0.178 0.000 1.100 181 I CA 1.263 62.718 61.300 0.259 0.000 1.374 181 I CB -0.355 37.749 38.000 0.175 0.000 1.057 181 I HN 0.149 nan 8.210 nan 0.000 0.413 182 D N 0.169 120.637 120.400 0.113 0.000 2.178 182 D HA -0.256 4.384 4.640 -0.000 0.000 0.201 182 D C 1.980 178.309 176.300 0.047 0.000 0.980 182 D CA 1.210 55.245 54.000 0.059 0.000 0.842 182 D CB -0.100 40.721 40.800 0.034 0.000 0.948 182 D HN 0.382 nan 8.370 nan 0.000 0.472 183 Y N -0.104 120.154 120.300 -0.071 0.000 2.133 183 Y HA -0.157 4.393 4.550 -0.000 0.000 0.287 183 Y C 1.831 177.592 175.900 -0.232 0.000 1.134 183 Y CA 1.559 59.534 58.100 -0.208 0.000 1.133 183 Y CB -0.775 37.460 38.460 -0.375 0.000 0.987 183 Y HN -0.086 nan 8.280 nan 0.000 0.502 184 F N -0.067 119.709 119.950 -0.289 0.000 2.186 184 F HA -0.016 4.511 4.527 -0.000 0.000 0.299 184 F C 1.014 176.712 175.800 -0.169 0.000 1.090 184 F CA 1.649 59.464 58.000 -0.308 0.000 1.307 184 F CB -0.393 38.591 39.000 -0.028 0.000 1.019 184 F HN -0.126 nan 8.300 nan 0.000 0.489 185 T N 1.469 116.072 114.554 0.081 0.000 3.296 185 T HA 0.172 4.521 4.350 -0.000 0.000 0.333 185 T C -1.966 172.741 174.700 0.012 0.000 1.280 185 T CA -0.847 61.279 62.100 0.044 0.000 1.558 185 T CB 1.478 70.385 68.868 0.067 0.000 0.929 185 T HN -0.082 nan 8.240 nan 0.000 0.596 186 P HA 0.059 nan 4.420 nan 0.000 0.231 186 P C 0.387 177.677 177.300 -0.017 0.000 1.168 186 P CA 0.317 63.405 63.100 -0.020 0.000 0.779 186 P CB 0.434 32.114 31.700 -0.034 0.000 0.844 187 S N -1.142 114.550 115.700 -0.013 0.000 2.705 187 S HA 0.582 5.052 4.470 -0.000 0.000 0.280 187 S C -0.801 173.800 174.600 0.002 0.000 1.174 187 S CA -0.946 57.248 58.200 -0.010 0.000 0.823 187 S CB 0.913 64.105 63.200 -0.013 0.000 1.162 187 S HN -0.118 nan 8.310 nan 0.000 0.487 188 I N 1.322 121.893 120.570 0.001 0.000 2.330 188 I HA 0.604 4.774 4.170 -0.000 0.000 0.289 188 I C 0.908 177.028 176.117 0.005 0.000 1.001 188 I CA -0.425 60.881 61.300 0.009 0.000 1.193 188 I CB 1.468 39.468 38.000 0.001 0.000 1.345 188 I HN 1.046 nan 8.210 nan 0.000 0.461 189 G N 5.964 114.771 108.800 0.011 0.000 3.430 189 G HA2 0.279 4.239 3.960 -0.000 0.000 0.222 189 G HA3 0.279 4.239 3.960 -0.000 0.000 0.222 189 G C 0.442 175.342 174.900 -0.000 0.000 1.102 189 G CA -0.110 44.990 45.100 -0.001 0.000 0.927 189 G HN 0.328 nan 8.290 nan 0.000 0.597 190 L N 0.846 122.082 121.223 0.021 0.000 2.739 190 L HA 0.616 4.956 4.340 -0.000 0.000 0.175 190 L C 1.145 178.025 176.870 0.018 0.000 1.140 190 L CA 0.084 54.939 54.840 0.025 0.000 1.033 190 L CB 0.312 42.421 42.059 0.083 0.000 1.834 190 L HN 0.207 nan 8.230 nan 0.000 0.498 191 T N -3.057 111.512 114.554 0.024 0.000 2.864 191 T HA 0.607 4.957 4.350 -0.000 0.000 0.299 191 T C 0.120 174.815 174.700 -0.009 0.000 1.166 191 T CA -0.144 61.954 62.100 -0.003 0.000 1.007 191 T CB 1.475 70.328 68.868 -0.024 0.000 1.219 191 T HN 1.057 nan 8.240 nan 0.000 0.506 192 G N 1.331 110.108 108.800 -0.038 0.000 2.614 192 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.303 192 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.303 192 G C 1.306 176.161 174.900 -0.075 0.000 1.270 192 G CA 1.389 46.456 45.100 -0.054 0.000 0.988 192 G HN 1.920 nan 8.290 nan 0.000 0.551 193 A N -0.608 122.126 122.820 -0.143 0.000 1.892 193 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 193 A C 3.106 180.543 177.584 -0.244 0.000 1.188 193 A CA 3.987 55.773 52.037 -0.418 0.000 0.631 193 A CB -1.226 17.474 19.000 -0.499 0.000 0.822 193 A HN 2.335 nan 8.150 nan 0.000 0.447 194 A N -0.535 122.402 122.820 0.196 0.000 1.883 194 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 194 A C 2.282 180.053 177.584 0.311 0.000 1.186 194 A CA 1.962 54.313 52.037 0.522 0.000 0.624 194 A CB -0.564 18.736 19.000 0.501 0.000 0.822 194 A HN 0.581 nan 8.150 nan 0.000 0.444 195 R N -0.497 120.087 120.500 0.138 0.000 2.073 195 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 195 R C 2.337 178.669 176.300 0.054 0.000 1.134 195 R CA 1.522 57.668 56.100 0.076 0.000 0.952 195 R CB -0.432 29.879 30.300 0.018 0.000 0.850 195 R HN 0.454 nan 8.270 nan 0.000 0.433 196 A N 0.471 123.285 122.820 -0.009 0.000 1.902 196 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 196 A C 1.868 179.494 177.584 0.070 0.000 1.181 196 A CA 1.168 53.181 52.037 -0.041 0.000 0.623 196 A CB -0.900 18.011 19.000 -0.148 0.000 0.818 196 A HN 0.535 nan 8.150 nan 0.000 0.443 197 W N 0.246 121.598 121.300 0.087 0.000 2.363 197 W HA -0.129 4.531 4.660 -0.000 0.000 0.296 197 W C 2.472 178.986 176.519 -0.008 0.000 1.212 197 W CA 1.232 58.608 57.345 0.053 0.000 1.260 197 W CB -0.984 28.524 29.460 0.080 0.000 1.131 197 W HN 0.552 nan 8.180 nan 0.000 0.530 198 Q N -0.332 119.610 119.800 0.236 0.000 2.084 198 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 198 Q C 2.443 178.477 176.000 0.057 0.000 0.978 198 Q CA 1.798 57.671 55.803 0.116 0.000 0.844 198 Q CB -0.518 28.283 28.738 0.105 0.000 0.898 198 Q HN 0.141 nan 8.270 nan 0.000 0.426 199 A N 0.811 123.660 122.820 0.048 0.000 1.902 199 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 199 A C 1.998 179.567 177.584 -0.024 0.000 1.181 199 A CA 1.215 53.250 52.037 -0.002 0.000 0.623 199 A CB -0.441 18.546 19.000 -0.022 0.000 0.818 199 A HN 0.362 nan 8.150 nan 0.000 0.443 200 I N -0.766 119.812 120.570 0.012 0.000 2.546 200 I HA -0.081 4.089 4.170 -0.000 0.000 0.255 200 I C 2.125 178.185 176.117 -0.094 0.000 1.163 200 I CA 0.878 62.153 61.300 -0.041 0.000 1.457 200 I CB 0.015 38.055 38.000 0.067 0.000 1.092 200 I HN 0.087 nan 8.210 nan 0.000 0.434 201 V N -0.482 119.412 119.914 -0.033 0.000 2.283 201 V HA -0.203 3.917 4.120 -0.000 0.000 0.243 201 V C 2.447 178.496 176.094 -0.075 0.000 1.039 201 V CA 1.712 63.977 62.300 -0.058 0.000 1.016 201 V CB -0.385 31.418 31.823 -0.034 0.000 0.650 201 V HN 0.246 nan 8.190 nan 0.000 0.449 202 V N 0.823 120.703 119.914 -0.056 0.000 2.407 202 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 202 V C 2.544 178.570 176.094 -0.113 0.000 1.055 202 V CA 2.132 64.393 62.300 -0.066 0.000 1.049 202 V CB -1.286 30.509 31.823 -0.047 0.000 0.662 202 V HN 0.619 nan 8.190 nan 0.000 0.455 203 G N -0.178 108.538 108.800 -0.140 0.000 2.434 203 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.214 203 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.214 203 G C 1.663 176.408 174.900 -0.258 0.000 1.202 203 G CA 1.185 46.167 45.100 -0.197 0.000 0.788 203 G HN 0.368 nan 8.290 nan 0.000 0.539 204 V N 1.000 120.711 119.914 -0.339 0.000 2.407 204 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 204 V C 2.763 178.714 176.094 -0.240 0.000 1.055 204 V CA 2.087 64.135 62.300 -0.420 0.000 1.049 204 V CB -0.502 30.944 31.823 -0.627 0.000 0.662 204 V HN 0.432 nan 8.190 nan 0.000 0.455 205 R N 0.524 120.925 120.500 -0.166 0.000 2.092 205 R HA -0.139 4.200 4.340 -0.000 0.000 0.231 205 R C 2.294 178.519 176.300 -0.124 0.000 1.119 205 R CA 1.580 57.621 56.100 -0.098 0.000 0.970 205 R CB -0.424 29.842 30.300 -0.056 0.000 0.864 205 R HN 0.459 nan 8.270 nan 0.000 0.440 206 A N 0.448 123.175 122.820 -0.154 0.000 1.908 206 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 206 A C 2.245 179.698 177.584 -0.217 0.000 1.181 206 A CA 1.664 53.590 52.037 -0.185 0.000 0.627 206 A CB -0.522 18.362 19.000 -0.193 0.000 0.818 206 A HN 0.240 nan 8.150 nan 0.000 0.445 207 V N 0.117 119.933 119.914 -0.164 0.000 2.427 207 V HA -0.239 3.880 4.120 -0.000 0.000 0.248 207 V C 2.398 178.419 176.094 -0.121 0.000 1.051 207 V CA 1.876 64.140 62.300 -0.061 0.000 1.048 207 V CB -0.635 31.141 31.823 -0.079 0.000 0.666 207 V HN 0.569 nan 8.190 nan 0.000 0.456 208 I N 0.802 121.301 120.570 -0.119 0.000 2.142 208 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 208 I C 2.235 178.323 176.117 -0.048 0.000 1.078 208 I CA 1.927 63.201 61.300 -0.044 0.000 1.343 208 I CB -0.457 37.561 38.000 0.031 0.000 1.046 208 I HN 0.352 nan 8.210 nan 0.000 0.405 209 V N -2.136 117.704 119.914 -0.122 0.000 3.573 209 V HA 0.080 4.200 4.120 -0.000 0.000 0.270 209 V C 0.823 176.717 176.094 -0.332 0.000 1.221 209 V CA -0.050 62.158 62.300 -0.154 0.000 1.163 209 V CB -1.108 30.642 31.823 -0.122 0.000 0.847 209 V HN 0.486 nan 8.190 nan 0.000 0.468 210 K N 0.937 120.975 120.400 -0.604 0.000 3.162 210 K HA -0.184 4.136 4.320 -0.000 0.000 0.268 210 K C -0.222 175.729 176.600 -1.082 0.000 1.062 210 K CA 1.081 56.493 56.287 -1.458 0.000 0.769 210 K CB -1.517 30.328 32.500 -1.092 0.000 1.274 210 K HN 0.720 nan 8.250 nan 0.000 0.478 211 D N 0.331 120.374 120.400 -0.594 0.000 2.467 211 D HA 0.366 5.006 4.640 -0.000 0.000 0.220 211 D C 1.039 177.297 176.300 -0.069 0.000 1.103 211 D CA 0.345 54.202 54.000 -0.237 0.000 0.886 211 D CB 1.001 41.705 40.800 -0.160 0.000 1.025 211 D HN 0.288 nan 8.370 nan 0.000 0.514 212 A N 3.350 126.284 122.820 0.189 0.000 1.978 212 A HA -0.121 4.198 4.320 -0.000 0.000 0.220 212 A C 2.136 179.810 177.584 0.151 0.000 1.170 212 A CA 1.151 53.377 52.037 0.315 0.000 0.636 212 A CB -0.186 19.197 19.000 0.639 0.000 0.810 212 A HN 0.486 nan 8.150 nan 0.000 0.448 213 V N 0.410 120.386 119.914 0.103 0.000 2.244 213 V HA -0.237 3.883 4.120 -0.000 0.000 0.244 213 V C 2.514 178.614 176.094 0.010 0.000 1.042 213 V CA 2.109 64.451 62.300 0.071 0.000 1.006 213 V CB -0.618 31.233 31.823 0.047 0.000 0.641 213 V HN 0.440 nan 8.190 nan 0.000 0.446 214 K N -0.130 120.250 120.400 -0.034 0.000 2.063 214 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 214 K C 2.127 178.662 176.600 -0.109 0.000 1.048 214 K CA 1.270 57.519 56.287 -0.063 0.000 0.928 214 K CB -0.817 31.636 32.500 -0.079 0.000 0.713 214 K HN 0.310 nan 8.250 nan 0.000 0.442 215 L N 1.218 122.325 121.223 -0.193 0.000 2.079 215 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 215 L C 2.177 178.888 176.870 -0.265 0.000 1.081 215 L CA 1.884 56.516 54.840 -0.346 0.000 0.752 215 L CB -0.763 40.861 42.059 -0.725 0.000 0.896 215 L HN 0.149 nan 8.230 nan 0.000 0.433 216 A N -0.832 121.917 122.820 -0.118 0.000 1.929 216 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 216 A C 2.435 180.048 177.584 0.048 0.000 1.176 216 A CA 1.404 53.502 52.037 0.100 0.000 0.628 216 A CB -0.990 18.147 19.000 0.229 0.000 0.816 216 A HN 0.528 nan 8.150 nan 0.000 0.444 217 A N -0.006 122.819 122.820 0.008 0.000 1.933 217 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 217 A C 2.457 180.031 177.584 -0.016 0.000 1.175 217 A CA 1.949 53.987 52.037 0.002 0.000 0.628 217 A CB -0.896 18.099 19.000 -0.009 0.000 0.814 217 A HN 0.989 nan 8.150 nan 0.000 0.444 218 A N -0.201 122.593 122.820 -0.044 0.000 1.902 218 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 218 A C 2.270 179.832 177.584 -0.037 0.000 1.181 218 A CA 1.706 53.709 52.037 -0.055 0.000 0.623 218 A CB -0.518 18.424 19.000 -0.098 0.000 0.818 218 A HN 0.559 nan 8.150 nan 0.000 0.443 219 R N 0.182 120.677 120.500 -0.009 0.000 2.073 219 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 219 R C 1.800 178.118 176.300 0.029 0.000 1.134 219 R CA 1.892 58.012 56.100 0.033 0.000 0.952 219 R CB -0.532 29.828 30.300 0.101 0.000 0.850 219 R HN 0.744 nan 8.270 nan 0.000 0.433 220 N N -0.619 118.100 118.700 0.032 0.000 2.289 220 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 220 N C 1.795 177.296 175.510 -0.015 0.000 1.016 220 N CA 0.642 53.709 53.050 0.028 0.000 0.872 220 N CB -0.221 38.287 38.487 0.034 0.000 0.973 220 N HN 0.357 nan 8.380 nan 0.000 0.433 221 G N 1.847 110.625 108.800 -0.036 0.000 2.475 221 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 221 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 221 G C 1.420 176.241 174.900 -0.132 0.000 1.125 221 G CA 0.473 45.536 45.100 -0.060 0.000 0.755 221 G HN 0.206 nan 8.290 nan 0.000 0.565 222 L N 0.913 121.999 121.223 -0.228 0.000 2.362 222 L HA -0.014 4.326 4.340 -0.000 0.000 0.219 222 L C 2.605 179.069 176.870 -0.677 0.000 1.134 222 L CA 0.736 55.231 54.840 -0.575 0.000 0.807 222 L CB -0.063 41.490 42.059 -0.843 0.000 0.927 222 L HN 0.144 nan 8.230 nan 0.000 0.447 223 S N -0.398 115.176 115.700 -0.210 0.000 2.558 223 S HA 0.096 4.565 4.470 -0.000 0.000 0.217 223 S C 1.187 175.796 174.600 0.014 0.000 0.975 223 S CA 0.236 58.455 58.200 0.031 0.000 0.912 223 S CB -0.040 63.230 63.200 0.117 0.000 0.776 223 S HN 0.493 nan 8.310 nan 0.000 0.526 224 G N 1.406 110.180 108.800 -0.042 0.000 2.651 224 G HA2 0.326 4.286 3.960 -0.000 0.000 0.260 224 G HA3 0.326 4.286 3.960 -0.000 0.000 0.260 224 G C -0.198 174.699 174.900 -0.005 0.000 1.216 224 G CA -0.476 44.614 45.100 -0.017 0.000 0.913 224 G HN 0.205 nan 8.290 nan 0.000 0.535 225 T N 0.082 114.634 114.554 -0.003 0.000 2.891 225 T HA 0.340 4.690 4.350 -0.000 0.000 0.296 225 T C 1.564 176.254 174.700 -0.017 0.000 1.025 225 T CA 1.697 63.792 62.100 -0.008 0.000 1.149 225 T CB 0.457 69.313 68.868 -0.019 0.000 1.007 225 T HN 1.861 nan 8.240 nan 0.000 0.528 226 G N 2.248 111.036 108.800 -0.021 0.000 2.159 226 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.256 226 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.256 226 G C 0.385 175.318 174.900 0.054 0.000 0.977 226 G CA 0.419 45.494 45.100 -0.041 0.000 0.652 226 G HN 0.681 nan 8.290 nan 0.000 0.531 227 I N -1.972 118.666 120.570 0.113 0.000 3.801 227 I HA 0.433 4.603 4.170 -0.000 0.000 0.247 227 I C 1.885 178.305 176.117 0.505 0.000 0.555 227 I CA -0.725 60.708 61.300 0.221 0.000 3.027 227 I CB -0.551 37.435 38.000 -0.024 0.000 1.495 227 I HN -0.153 nan 8.210 nan 0.000 0.534 228 F N 2.500 122.606 119.950 0.260 0.000 2.065 228 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 228 F C -1.226 174.574 175.800 0.001 0.000 1.112 228 F CA 0.606 58.665 58.000 0.098 0.000 1.212 228 F CB -2.415 36.555 39.000 -0.050 0.000 0.975 228 F HN 0.061 nan 8.300 nan 0.000 0.476 229 P HA -0.013 nan 4.420 nan 0.000 0.276 229 P C -0.868 176.480 177.300 0.080 0.000 1.235 229 P CA -0.008 63.145 63.100 0.087 0.000 0.772 229 P CB 0.127 31.883 31.700 0.094 0.000 0.871 230 Y N 1.465 121.846 120.300 0.136 0.000 2.597 230 Y HA 0.178 4.728 4.550 -0.000 0.000 0.336 230 Y C 1.460 177.309 175.900 -0.084 0.000 1.216 230 Y CA -0.150 57.995 58.100 0.076 0.000 1.463 230 Y CB 0.422 38.927 38.460 0.076 0.000 1.303 230 Y HN 0.434 nan 8.280 nan 0.000 0.576 231 A N 1.451 124.201 122.820 -0.115 0.000 2.303 231 A HA 0.443 4.763 4.320 -0.000 0.000 0.317 231 A C 0.671 177.904 177.584 -0.584 0.000 1.149 231 A CA -0.120 51.670 52.037 -0.410 0.000 0.822 231 A CB 0.359 18.972 19.000 -0.646 0.000 1.131 231 A HN 0.844 nan 8.150 nan 0.000 0.493 232 T N -1.421 112.968 114.554 -0.275 0.000 3.040 232 T HA 0.543 4.893 4.350 -0.000 0.000 0.266 232 T C 0.500 175.244 174.700 0.074 0.000 1.005 232 T CA 0.363 62.424 62.100 -0.065 0.000 0.906 232 T CB 0.013 68.885 68.868 0.007 0.000 1.082 232 T HN 1.883 nan 8.240 nan 0.000 0.531 233 G N -1.078 107.720 108.800 -0.003 0.000 2.473 233 G HA2 0.587 4.547 3.960 -0.000 0.000 0.298 233 G HA3 0.587 4.547 3.960 -0.000 0.000 0.298 233 G C -0.061 174.870 174.900 0.052 0.000 1.575 233 G CA 0.061 45.237 45.100 0.127 0.000 0.846 233 G HN 1.076 nan 8.290 nan 0.000 0.585 234 G N 0.849 109.709 108.800 0.100 0.000 2.568 234 G HA2 0.127 4.087 3.960 -0.000 0.000 0.222 234 G HA3 0.127 4.087 3.960 -0.000 0.000 0.222 234 G C -0.597 174.300 174.900 -0.005 0.000 1.321 234 G CA 0.120 45.236 45.100 0.025 0.000 0.893 234 G HN 1.027 nan 8.290 nan 0.000 0.569 235 D N 1.327 121.674 120.400 -0.089 0.000 2.341 235 D HA 0.598 5.238 4.640 -0.000 0.000 0.245 235 D C 0.894 177.003 176.300 -0.319 0.000 1.106 235 D CA 1.891 55.759 54.000 -0.219 0.000 0.905 235 D CB 1.013 41.701 40.800 -0.187 0.000 1.202 235 D HN 1.866 nan 8.370 nan 0.000 0.426 236 G N -0.101 108.324 108.800 -0.624 0.000 2.355 236 G HA2 0.029 3.989 3.960 -0.000 0.000 0.619 236 G HA3 0.029 3.989 3.960 -0.000 0.000 0.619 236 G C -1.265 173.290 174.900 -0.575 0.000 1.337 236 G CA -1.156 43.612 45.100 -0.552 0.000 0.993 236 G HN 0.225 nan 8.290 nan 0.000 0.599 237 F N 0.183 120.057 119.950 -0.126 0.000 2.399 237 F HA 0.657 5.183 4.527 -0.000 0.000 0.342 237 F C 0.566 176.523 175.800 0.262 0.000 1.106 237 F CA 0.126 58.208 58.000 0.136 0.000 1.196 237 F CB 0.875 39.842 39.000 -0.055 0.000 1.163 237 F HN 0.414 nan 8.300 nan 0.000 0.547 238 Y N 0.505 121.061 120.300 0.427 0.000 2.453 238 Y HA 0.474 5.024 4.550 -0.000 0.000 0.326 238 Y C 1.049 177.076 175.900 0.212 0.000 1.186 238 Y CA -0.835 57.450 58.100 0.307 0.000 1.200 238 Y CB 1.283 39.824 38.460 0.135 0.000 1.247 238 Y HN 0.634 nan 8.280 nan 0.000 0.482 239 A N 0.420 123.176 122.820 -0.107 0.000 2.019 239 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 239 A C 1.539 179.059 177.584 -0.107 0.000 1.164 239 A CA 1.854 53.545 52.037 -0.577 0.000 0.644 239 A CB -0.733 17.932 19.000 -0.558 0.000 0.805 239 A HN 0.836 nan 8.150 nan 0.000 0.449 240 D N -2.158 118.279 120.400 0.062 0.000 2.363 240 D HA 0.251 4.891 4.640 -0.000 0.000 0.226 240 D C 1.161 177.545 176.300 0.140 0.000 1.020 240 D CA 1.096 55.129 54.000 0.055 0.000 0.892 240 D CB -0.434 40.382 40.800 0.026 0.000 0.900 240 D HN 0.751 nan 8.370 nan 0.000 0.531 241 G N -0.815 108.175 108.800 0.315 0.000 2.213 241 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.226 241 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.226 241 G C 0.424 175.669 174.900 0.575 0.000 0.992 241 G CA 0.136 45.527 45.100 0.485 0.000 0.632 241 G HN 0.429 nan 8.290 nan 0.000 0.511 242 S N -0.262 115.729 115.700 0.486 0.000 2.600 242 S HA 0.682 5.152 4.470 -0.000 0.000 0.265 242 S C -0.564 174.196 174.600 0.266 0.000 1.325 242 S CA 0.217 58.568 58.200 0.251 0.000 1.002 242 S CB 1.350 64.562 63.200 0.021 0.000 0.921 242 S HN 0.893 nan 8.310 nan 0.000 0.554 243 F N 1.151 121.039 119.950 -0.103 0.000 2.573 243 F HA 0.587 5.114 4.527 -0.000 0.000 0.316 243 F C -1.194 174.528 175.800 -0.132 0.000 1.148 243 F CA -0.572 57.284 58.000 -0.240 0.000 0.940 243 F CB 1.025 39.675 39.000 -0.584 0.000 1.214 243 F HN 0.295 nan 8.300 nan 0.000 0.448 244 V N 5.006 124.506 119.914 -0.690 0.000 2.769 244 V HA 0.653 4.773 4.120 -0.000 0.000 0.312 244 V C -1.033 174.748 176.094 -0.522 0.000 1.061 244 V CA -0.606 61.487 62.300 -0.346 0.000 0.931 244 V CB 1.932 33.697 31.823 -0.096 0.000 1.010 244 V HN 0.746 nan 8.190 nan 0.000 0.433 245 Q N 0.915 120.665 119.800 -0.083 0.000 2.379 245 Q HA 0.503 4.843 4.340 -0.000 0.000 0.278 245 Q C -0.293 175.811 176.000 0.173 0.000 1.068 245 Q CA -0.435 55.296 55.803 -0.121 0.000 0.816 245 Q CB 1.249 29.823 28.738 -0.273 0.000 1.387 245 Q HN 0.832 nan 8.270 nan 0.000 0.413 246 H N 2.237 121.300 119.070 -0.012 0.000 2.839 246 H HA -0.256 4.300 4.556 -0.000 0.000 0.298 246 H C -0.076 175.360 175.328 0.181 0.000 1.224 246 H CA 0.392 56.523 56.048 0.138 0.000 1.144 246 H CB -1.284 28.661 29.762 0.305 0.000 1.372 246 H HN 0.948 nan 8.280 nan 0.000 0.408 247 T N -2.869 111.778 114.554 0.154 0.000 12.380 247 T HA -0.351 3.999 4.350 -0.000 0.000 0.415 247 T C 1.401 176.079 174.700 -0.035 0.000 1.471 247 T CA 2.660 64.787 62.100 0.045 0.000 2.420 247 T CB -1.247 67.635 68.868 0.023 0.000 2.818 247 T HN 0.760 nan 8.240 nan 0.000 0.798 248 T N -0.769 113.689 114.554 -0.160 0.000 3.170 248 T HA 0.593 4.943 4.350 -0.000 0.000 0.288 248 T C -0.166 174.236 174.700 -0.496 0.000 0.992 248 T CA -0.566 61.314 62.100 -0.365 0.000 0.909 248 T CB -0.018 68.558 68.868 -0.487 0.000 1.133 248 T HN 0.383 nan 8.240 nan 0.000 0.530 249 F N 2.100 122.086 119.950 0.061 0.000 2.458 249 F HA 0.745 5.271 4.527 -0.000 0.000 0.336 249 F C 0.678 176.462 175.800 -0.027 0.000 1.114 249 F CA -1.518 56.490 58.000 0.014 0.000 0.987 249 F CB 1.290 40.325 39.000 0.059 0.000 1.130 249 F HN 0.137 nan 8.300 nan 0.000 0.458 250 A N 2.873 125.719 122.820 0.043 0.000 2.484 250 A HA 0.245 4.565 4.320 -0.000 0.000 0.268 250 A C -0.928 176.611 177.584 -0.074 0.000 1.114 250 A CA 0.233 52.250 52.037 -0.034 0.000 0.780 250 A CB -0.467 18.479 19.000 -0.090 0.000 1.061 250 A HN 0.803 nan 8.150 nan 0.000 0.505 251 Y N 1.920 122.292 120.300 0.119 0.000 2.742 251 Y HA 0.117 4.667 4.550 -0.000 0.000 0.248 251 Y C 1.836 177.797 175.900 0.103 0.000 1.132 251 Y CA 0.051 58.255 58.100 0.173 0.000 1.142 251 Y CB 0.109 38.754 38.460 0.309 0.000 1.222 251 Y HN 0.738 nan 8.280 nan 0.000 0.575 252 T N -1.371 113.231 114.554 0.079 0.000 2.665 252 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 252 T C 2.124 176.676 174.700 -0.246 0.000 1.035 252 T CA 1.950 63.864 62.100 -0.310 0.000 1.151 252 T CB -0.363 68.256 68.868 -0.415 0.000 0.862 252 T HN 0.585 nan 8.240 nan 0.000 0.438 253 G N -0.154 108.580 108.800 -0.111 0.000 2.920 253 G HA2 0.359 4.319 3.960 -0.000 0.000 0.208 253 G HA3 0.359 4.319 3.960 -0.000 0.000 0.208 253 G C 1.064 175.964 174.900 -0.000 0.000 1.159 253 G CA 0.615 45.699 45.100 -0.028 0.000 0.784 253 G HN 0.593 nan 8.290 nan 0.000 0.535 254 G N -0.067 108.777 108.800 0.074 0.000 2.529 254 G HA2 0.171 4.131 3.960 -0.000 0.000 0.220 254 G HA3 0.171 4.131 3.960 -0.000 0.000 0.220 254 G C 1.097 175.896 174.900 -0.169 0.000 1.976 254 G CA -0.021 45.098 45.100 0.030 0.000 0.789 254 G HN 0.143 nan 8.290 nan 0.000 0.695 255 Y N 1.836 121.974 120.300 -0.270 0.000 2.352 255 Y HA 0.028 4.578 4.550 -0.000 0.000 0.292 255 Y C 2.933 178.556 175.900 -0.461 0.000 1.136 255 Y CA 1.030 58.913 58.100 -0.362 0.000 1.227 255 Y CB -0.364 37.824 38.460 -0.453 0.000 0.991 255 Y HN 0.276 nan 8.280 nan 0.000 0.545 256 G N -1.243 107.165 108.800 -0.654 0.000 2.422 256 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 256 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 256 G C 1.889 176.578 174.900 -0.351 0.000 1.146 256 G CA 1.158 45.431 45.100 -1.378 0.000 0.769 256 G HN 0.361 nan 8.290 nan 0.000 0.547 257 S N 0.976 116.601 115.700 -0.125 0.000 2.368 257 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 257 S C 2.733 177.297 174.600 -0.060 0.000 1.030 257 S CA 1.393 59.579 58.200 -0.024 0.000 0.999 257 S CB -0.237 62.968 63.200 0.008 0.000 0.844 257 S HN 0.377 nan 8.310 nan 0.000 0.459 258 S N 1.238 116.880 115.700 -0.096 0.000 2.356 258 S HA -0.065 4.405 4.470 -0.000 0.000 0.223 258 S C 2.070 176.546 174.600 -0.208 0.000 1.032 258 S CA 1.146 59.287 58.200 -0.098 0.000 1.005 258 S CB -0.458 62.638 63.200 -0.174 0.000 0.867 258 S HN 0.338 nan 8.310 nan 0.000 0.449 259 V N 2.008 121.772 119.914 -0.250 0.000 2.343 259 V HA -0.144 3.976 4.120 -0.000 0.000 0.247 259 V C 2.260 178.379 176.094 0.041 0.000 1.051 259 V CA 1.517 63.731 62.300 -0.143 0.000 1.036 259 V CB -0.699 31.078 31.823 -0.077 0.000 0.654 259 V HN 0.351 nan 8.190 nan 0.000 0.451 260 L N 0.466 121.723 121.223 0.056 0.000 2.017 260 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 260 L C 2.455 179.381 176.870 0.094 0.000 1.073 260 L CA 2.422 57.334 54.840 0.120 0.000 0.745 260 L CB -0.844 41.163 42.059 -0.087 0.000 0.894 260 L HN 0.489 nan 8.230 nan 0.000 0.432 261 E N -1.270 118.959 120.200 0.047 0.000 2.031 261 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 261 E C 1.849 178.542 176.600 0.155 0.000 0.994 261 E CA 1.994 58.449 56.400 0.091 0.000 0.800 261 E CB -0.137 29.623 29.700 0.100 0.000 0.752 261 E HN 0.573 nan 8.360 nan 0.000 0.447 262 T N 0.107 114.743 114.554 0.137 0.000 2.777 262 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 262 T C 1.897 176.702 174.700 0.174 0.000 1.040 262 T CA 1.668 63.870 62.100 0.170 0.000 1.141 262 T CB -0.451 68.458 68.868 0.068 0.000 0.868 262 T HN 0.232 nan 8.240 nan 0.000 0.444 263 T N 2.008 116.661 114.554 0.166 0.000 2.746 263 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 263 T C 2.433 177.297 174.700 0.273 0.000 1.039 263 T CA 1.139 63.365 62.100 0.210 0.000 1.142 263 T CB -0.527 68.540 68.868 0.331 0.000 0.866 263 T HN 0.432 nan 8.240 nan 0.000 0.444 264 A N 2.375 125.370 122.820 0.292 0.000 1.902 264 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 264 A C 2.272 180.086 177.584 0.382 0.000 1.181 264 A CA 1.452 53.713 52.037 0.373 0.000 0.623 264 A CB -0.603 18.554 19.000 0.262 0.000 0.818 264 A HN 0.369 nan 8.150 nan 0.000 0.443 265 N N -0.270 118.626 118.700 0.326 0.000 2.120 265 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 265 N C 1.584 177.377 175.510 0.471 0.000 1.024 265 N CA 1.467 54.767 53.050 0.416 0.000 0.852 265 N CB -0.521 38.247 38.487 0.468 0.000 1.003 265 N HN 0.408 nan 8.380 nan 0.000 0.424 266 L N 0.924 122.332 121.223 0.307 0.000 2.072 266 L HA 0.078 4.418 4.340 -0.000 0.000 0.205 266 L C 2.146 179.058 176.870 0.070 0.000 1.079 266 L CA 1.294 56.232 54.840 0.164 0.000 0.752 266 L CB -0.548 41.558 42.059 0.079 0.000 0.906 266 L HN 0.092 nan 8.230 nan 0.000 0.436 267 M N -1.861 117.770 119.600 0.052 0.000 2.080 267 M HA -0.272 4.208 4.480 -0.000 0.000 0.260 267 M C 2.337 178.272 176.300 -0.608 0.000 1.068 267 M CA 2.317 57.516 55.300 -0.169 0.000 1.109 267 M CB -0.725 31.871 32.600 -0.007 0.000 1.342 267 M HN 0.399 nan 8.290 nan 0.000 0.405 268 Y N 1.155 121.056 120.300 -0.665 0.000 2.165 268 Y HA -0.295 4.255 4.550 -0.000 0.000 0.286 268 Y C 2.149 177.953 175.900 -0.160 0.000 1.155 268 Y CA 1.639 59.406 58.100 -0.555 0.000 1.164 268 Y CB -0.298 38.207 38.460 0.074 0.000 0.978 268 Y HN 0.125 nan 8.280 nan 0.000 0.513 269 L N 0.618 121.749 121.223 -0.154 0.000 1.989 269 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 269 L C 2.096 178.860 176.870 -0.177 0.000 1.071 269 L CA 2.022 56.793 54.840 -0.115 0.000 0.749 269 L CB -0.991 41.190 42.059 0.204 0.000 0.890 269 L HN 0.401 nan 8.230 nan 0.000 0.431 270 L N -0.868 120.283 121.223 -0.120 0.000 2.141 270 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 270 L C 1.502 178.319 176.870 -0.088 0.000 1.094 270 L CA 0.554 55.367 54.840 -0.046 0.000 0.763 270 L CB -0.746 41.320 42.059 0.011 0.000 0.908 270 L HN 0.256 nan 8.230 nan 0.000 0.437 271 S N 0.315 115.885 115.700 -0.217 0.000 2.810 271 S HA 0.088 4.558 4.470 -0.000 0.000 0.329 271 S C 1.312 175.856 174.600 -0.092 0.000 1.231 271 S CA 0.769 58.866 58.200 -0.171 0.000 1.042 271 S CB 0.027 63.065 63.200 -0.270 0.000 0.756 271 S HN 0.683 nan 8.310 nan 0.000 0.504 272 G N 3.017 111.797 108.800 -0.033 0.000 2.179 272 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.260 272 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.260 272 G C 0.228 175.098 174.900 -0.050 0.000 0.977 272 G CA 0.680 45.763 45.100 -0.029 0.000 0.641 272 G HN 1.720 nan 8.290 nan 0.000 0.533 273 S N -1.383 114.290 115.700 -0.044 0.000 2.745 273 S HA 0.671 5.141 4.470 -0.000 0.000 0.292 273 S C 1.344 175.840 174.600 -0.173 0.000 1.133 273 S CA 0.780 58.942 58.200 -0.063 0.000 0.998 273 S CB 1.540 64.790 63.200 0.083 0.000 1.087 273 S HN 0.408 nan 8.310 nan 0.000 0.551 274 T N 0.688 114.972 114.554 -0.450 0.000 2.822 274 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 274 T C 0.327 174.616 174.700 -0.685 0.000 1.064 274 T CA 1.412 63.050 62.100 -0.771 0.000 1.131 274 T CB -0.386 67.602 68.868 -1.467 0.000 0.858 274 T HN 0.694 nan 8.240 nan 0.000 0.483 275 W N 1.938 123.188 121.300 -0.084 0.000 3.015 275 W HA 0.519 5.179 4.660 -0.000 0.000 0.429 275 W C 0.813 177.304 176.519 -0.047 0.000 0.976 275 W CA -1.115 56.196 57.345 -0.056 0.000 2.086 275 W CB -0.607 28.819 29.460 -0.056 0.000 1.125 275 W HN 0.096 nan 8.180 nan 0.000 0.721 276 S N 1.012 116.761 115.700 0.082 0.000 2.563 276 S HA 0.148 4.618 4.470 -0.000 0.000 0.284 276 S C 0.376 175.018 174.600 0.070 0.000 1.331 276 S CA -0.066 58.163 58.200 0.049 0.000 1.047 276 S CB 1.004 64.209 63.200 0.008 0.000 0.859 276 S HN -0.027 nan 8.310 nan 0.000 0.514 277 V N 5.264 125.222 119.914 0.073 0.000 2.446 277 V HA 0.113 4.232 4.120 -0.000 0.000 0.276 277 V C 1.339 177.477 176.094 0.073 0.000 1.030 277 V CA 0.772 63.139 62.300 0.111 0.000 1.033 277 V CB 0.477 32.404 31.823 0.173 0.000 0.993 277 V HN 1.021 nan 8.190 nan 0.000 0.477 278 S N 1.922 117.661 115.700 0.065 0.000 2.524 278 S HA 0.052 4.522 4.470 -0.000 0.000 0.215 278 S C 0.616 175.221 174.600 0.009 0.000 0.986 278 S CA -0.322 57.896 58.200 0.030 0.000 0.911 278 S CB -0.007 63.208 63.200 0.026 0.000 0.805 278 S HN 0.734 nan 8.310 nan 0.000 0.501 279 D N 3.640 124.058 120.400 0.029 0.000 2.412 279 D HA 0.156 4.796 4.640 -0.000 0.000 0.257 279 D C -1.658 174.555 176.300 -0.144 0.000 1.217 279 D CA -1.608 52.392 54.000 -0.001 0.000 0.897 279 D CB 1.344 42.226 40.800 0.137 0.000 1.132 279 D HN 0.063 nan 8.370 nan 0.000 0.493 280 P HA -0.122 nan 4.420 nan 0.000 0.217 280 P C 0.885 178.026 177.300 -0.265 0.000 1.148 280 P CA 0.737 63.750 63.100 -0.145 0.000 0.828 280 P CB 0.242 31.899 31.700 -0.072 0.000 0.783 281 N N -0.010 118.524 118.700 -0.276 0.000 2.519 281 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 281 N C 1.680 176.702 175.510 -0.814 0.000 1.062 281 N CA 0.782 53.609 53.050 -0.371 0.000 0.910 281 N CB -0.467 37.925 38.487 -0.158 0.000 0.958 281 N HN 0.494 nan 8.380 nan 0.000 0.445 282 Q N 0.399 119.515 119.800 -1.140 0.000 2.368 282 Q HA -0.084 4.255 4.340 -0.000 0.000 0.210 282 Q C 1.519 176.631 176.000 -1.480 0.000 0.982 282 Q CA 1.476 56.261 55.803 -1.697 0.000 0.884 282 Q CB -0.319 27.681 28.738 -1.229 0.000 0.933 282 Q HN 0.308 nan 8.270 nan 0.000 0.460 283 S N 0.003 115.048 115.700 -1.092 0.000 2.515 283 S HA -0.077 4.393 4.470 -0.000 0.000 0.231 283 S C 1.328 175.226 174.600 -1.170 0.000 0.987 283 S CA 0.750 58.191 58.200 -1.264 0.000 0.936 283 S CB -0.401 62.524 63.200 -0.458 0.000 0.766 283 S HN 0.520 nan 8.310 nan 0.000 0.528 284 N N 1.120 119.233 118.700 -0.979 0.000 2.223 284 N HA -0.071 4.669 4.740 -0.000 0.000 0.185 284 N C 1.470 176.163 175.510 -1.360 0.000 1.016 284 N CA 1.229 53.765 53.050 -0.857 0.000 0.863 284 N CB -0.363 37.633 38.487 -0.818 0.000 0.983 284 N HN 0.244 nan 8.380 nan 0.000 0.429 285 V N 0.561 119.368 119.914 -1.846 0.000 2.380 285 V HA -0.263 3.857 4.120 -0.000 0.000 0.251 285 V C 1.607 177.132 176.094 -0.947 0.000 1.063 285 V CA 1.684 62.770 62.300 -2.023 0.000 1.055 285 V CB -0.751 30.143 31.823 -1.548 0.000 0.657 285 V HN 0.490 nan 8.190 nan 0.000 0.455 286 W N -0.750 120.160 121.300 -0.650 0.000 2.358 286 W HA -0.172 4.488 4.660 -0.000 0.000 0.303 286 W C 2.673 178.824 176.519 -0.612 0.000 1.208 286 W CA 0.198 57.233 57.345 -0.517 0.000 1.274 286 W CB -0.482 28.586 29.460 -0.654 0.000 1.138 286 W HN 0.166 nan 8.180 nan 0.000 0.515 287 Q N -0.126 119.584 119.800 -0.151 0.000 2.124 287 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 287 Q C 1.831 177.965 176.000 0.223 0.000 0.977 287 Q CA 1.295 57.169 55.803 0.118 0.000 0.850 287 Q CB -1.045 27.851 28.738 0.263 0.000 0.901 287 Q HN 0.459 nan 8.270 nan 0.000 0.429 288 W N 0.892 122.144 121.300 -0.079 0.000 2.318 288 W HA -0.160 4.500 4.660 -0.000 0.000 0.313 288 W C 2.022 178.645 176.519 0.173 0.000 1.221 288 W CA 0.286 57.586 57.345 -0.075 0.000 1.266 288 W CB -1.008 28.171 29.460 -0.469 0.000 1.150 288 W HN 0.113 nan 8.180 nan 0.000 0.496 289 I N -0.861 119.843 120.570 0.223 0.000 2.142 289 I HA -0.300 3.870 4.170 -0.000 0.000 0.240 289 I C 2.234 178.520 176.117 0.282 0.000 1.078 289 I CA 1.390 62.775 61.300 0.142 0.000 1.343 289 I CB -1.874 35.988 38.000 -0.230 0.000 1.046 289 I HN 0.091 nan 8.210 nan 0.000 0.405 290 Y N 0.931 121.412 120.300 0.302 0.000 2.163 290 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 290 Y C 2.657 178.693 175.900 0.225 0.000 1.136 290 Y CA 0.604 58.851 58.100 0.245 0.000 1.147 290 Y CB -0.131 38.470 38.460 0.234 0.000 0.987 290 Y HN 0.186 nan 8.280 nan 0.000 0.509 291 E N -0.383 120.068 120.200 0.418 0.000 2.201 291 E HA 0.063 4.413 4.350 -0.000 0.000 0.193 291 E C 2.113 178.940 176.600 0.378 0.000 0.957 291 E CA 0.793 57.399 56.400 0.343 0.000 0.858 291 E CB -0.086 29.807 29.700 0.321 0.000 0.816 291 E HN 0.387 nan 8.360 nan 0.000 0.475 292 A N -0.291 122.742 122.820 0.356 0.000 1.997 292 A HA 0.045 4.365 4.320 -0.000 0.000 0.212 292 A C 1.516 178.996 177.584 -0.173 0.000 1.178 292 A CA 0.579 52.720 52.037 0.173 0.000 0.698 292 A CB -0.169 18.966 19.000 0.225 0.000 0.842 292 A HN 0.142 nan 8.150 nan 0.000 0.458 293 Y N -1.319 119.090 120.300 0.182 0.000 2.472 293 Y HA 0.183 4.733 4.550 -0.000 0.000 0.288 293 Y C 2.328 178.279 175.900 0.085 0.000 1.154 293 Y CA 0.633 58.789 58.100 0.094 0.000 1.238 293 Y CB -0.313 38.186 38.460 0.065 0.000 1.287 293 Y HN 0.153 nan 8.280 nan 0.000 0.524 294 R N 0.753 121.421 120.500 0.280 0.000 2.134 294 R HA -0.199 4.141 4.340 -0.000 0.000 0.248 294 R C -1.053 175.329 176.300 0.136 0.000 1.143 294 R CA 2.351 58.567 56.100 0.193 0.000 0.957 294 R CB -1.380 29.056 30.300 0.227 0.000 0.867 294 R HN 0.244 nan 8.270 nan 0.000 0.441 295 P HA -0.056 nan 4.420 nan 0.000 0.223 295 P C 0.492 177.844 177.300 0.087 0.000 1.151 295 P CA 1.074 64.254 63.100 0.134 0.000 0.787 295 P CB 0.110 31.934 31.700 0.207 0.000 0.788 296 L N -1.577 119.670 121.223 0.040 0.000 2.741 296 L HA 0.218 4.558 4.340 -0.000 0.000 0.237 296 L C 0.330 177.148 176.870 -0.086 0.000 1.178 296 L CA -0.117 54.683 54.840 -0.067 0.000 0.973 296 L CB -0.175 41.781 42.059 -0.172 0.000 1.255 296 L HN -0.057 nan 8.230 nan 0.000 0.498 297 L N -0.476 120.730 121.223 -0.028 0.000 2.329 297 L HA 0.382 4.722 4.340 -0.000 0.000 0.279 297 L C -1.214 175.637 176.870 -0.032 0.000 1.014 297 L CA -0.649 54.166 54.840 -0.042 0.000 0.814 297 L CB 1.953 44.013 42.059 0.001 0.000 1.257 297 L HN -0.061 nan 8.230 nan 0.000 0.424 298 Y N 3.867 124.059 120.300 -0.181 0.000 2.373 298 Y HA 0.236 4.786 4.550 -0.000 0.000 0.327 298 Y C -0.066 175.821 175.900 -0.022 0.000 1.036 298 Y CA -1.023 57.013 58.100 -0.108 0.000 1.265 298 Y CB 0.624 38.985 38.460 -0.164 0.000 1.108 298 Y HN 0.532 nan 8.280 nan 0.000 0.471 299 K N 4.362 124.510 120.400 -0.419 0.000 3.077 299 K HA -0.260 4.060 4.320 -0.000 0.000 0.264 299 K C 0.887 177.515 176.600 0.046 0.000 1.008 299 K CA 1.116 57.294 56.287 -0.183 0.000 0.740 299 K CB -1.586 30.825 32.500 -0.150 0.000 1.273 299 K HN 1.283 nan 8.250 nan 0.000 0.477 300 G N -1.572 107.213 108.800 -0.026 0.000 2.232 300 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.226 300 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.226 300 G C 0.112 174.844 174.900 -0.281 0.000 0.996 300 G CA 0.138 45.263 45.100 0.041 0.000 0.626 300 G HN 0.879 nan 8.290 nan 0.000 0.509 301 A N 0.225 122.724 122.820 -0.535 0.000 2.301 301 A HA 0.825 5.145 4.320 -0.000 0.000 0.298 301 A C 0.015 177.477 177.584 -0.204 0.000 1.185 301 A CA 0.143 51.864 52.037 -0.527 0.000 0.830 301 A CB 0.900 19.647 19.000 -0.421 0.000 1.112 301 A HN 1.085 nan 8.150 nan 0.000 0.508 302 M N 4.043 123.567 119.600 -0.126 0.000 2.063 302 M HA 0.406 4.886 4.480 -0.000 0.000 0.348 302 M C -0.207 176.025 176.300 -0.112 0.000 1.180 302 M CA -0.261 54.988 55.300 -0.084 0.000 1.059 302 M CB -0.118 32.471 32.600 -0.019 0.000 1.544 302 M HN 0.719 nan 8.290 nan 0.000 0.447 303 M N 4.473 123.952 119.600 -0.202 0.000 2.274 303 M HA -0.120 4.360 4.480 -0.000 0.000 0.377 303 M C 0.606 176.780 176.300 -0.210 0.000 1.428 303 M CA 0.349 55.514 55.300 -0.226 0.000 0.907 303 M CB 0.129 32.537 32.600 -0.320 0.000 1.974 303 M HN 0.630 nan 8.290 nan 0.000 0.479 304 D N 3.372 123.644 120.400 -0.214 0.000 2.221 304 D HA -0.173 4.467 4.640 -0.000 0.000 0.204 304 D C 1.863 177.920 176.300 -0.406 0.000 0.982 304 D CA 1.533 55.374 54.000 -0.264 0.000 0.857 304 D CB -0.165 40.554 40.800 -0.135 0.000 0.934 304 D HN 0.743 nan 8.370 nan 0.000 0.475 305 M N -0.285 118.979 119.600 -0.559 0.000 2.530 305 M HA -0.082 4.398 4.480 -0.000 0.000 0.261 305 M C 1.378 177.502 176.300 -0.294 0.000 1.067 305 M CA 1.148 56.183 55.300 -0.443 0.000 1.071 305 M CB -0.143 32.213 32.600 -0.407 0.000 1.405 305 M HN -0.061 nan 8.290 nan 0.000 0.478 306 V N -3.088 116.654 119.914 -0.286 0.000 3.176 306 V HA 0.358 4.478 4.120 -0.000 0.000 0.332 306 V C 1.177 177.143 176.094 -0.214 0.000 1.414 306 V CA -0.434 61.719 62.300 -0.245 0.000 1.133 306 V CB -0.596 31.077 31.823 -0.250 0.000 1.088 306 V HN 0.459 nan 8.190 nan 0.000 0.473 307 R N 1.044 121.388 120.500 -0.259 0.000 2.397 307 R HA 0.463 4.802 4.340 -0.000 0.000 0.241 307 R C 1.539 177.666 176.300 -0.288 0.000 0.914 307 R CA 0.438 56.426 56.100 -0.186 0.000 1.071 307 R CB 0.783 30.980 30.300 -0.171 0.000 1.116 307 R HN 0.696 nan 8.270 nan 0.000 0.524 308 G N 2.950 111.384 108.800 -0.610 0.000 2.614 308 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.303 308 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.303 308 G C 0.652 175.335 174.900 -0.362 0.000 1.270 308 G CA 0.767 45.407 45.100 -0.768 0.000 0.988 308 G HN 0.513 nan 8.290 nan 0.000 0.551 309 R N 1.067 121.448 120.500 -0.197 0.000 2.316 309 R HA 0.169 4.509 4.340 -0.000 0.000 0.202 309 R C 1.857 178.047 176.300 -0.183 0.000 1.029 309 R CA 1.723 57.721 56.100 -0.169 0.000 1.018 309 R CB -0.244 29.990 30.300 -0.111 0.000 0.888 309 R HN 0.683 nan 8.270 nan 0.000 0.471 310 E N 1.612 121.714 120.200 -0.164 0.000 2.418 310 E HA -0.100 4.250 4.350 -0.000 0.000 0.197 310 E C 1.849 178.305 176.600 -0.241 0.000 1.026 310 E CA 0.964 57.241 56.400 -0.204 0.000 0.862 310 E CB -0.118 29.478 29.700 -0.172 0.000 0.799 310 E HN 0.660 nan 8.360 nan 0.000 0.518 311 I N -0.921 119.455 120.570 -0.324 0.000 2.756 311 I HA -0.132 4.038 4.170 -0.000 0.000 0.262 311 I C 2.014 177.967 176.117 -0.274 0.000 1.225 311 I CA 1.112 62.135 61.300 -0.462 0.000 1.472 311 I CB -0.257 37.127 38.000 -1.025 0.000 1.094 311 I HN -0.073 nan 8.210 nan 0.000 0.454 312 S N 0.596 116.188 115.700 -0.180 0.000 2.671 312 S HA 0.225 4.695 4.470 -0.000 0.000 0.220 312 S C 0.722 175.413 174.600 0.152 0.000 0.951 312 S CA -0.570 57.660 58.200 0.050 0.000 0.932 312 S CB -0.346 62.819 63.200 -0.059 0.000 0.777 312 S HN 0.478 nan 8.310 nan 0.000 0.508 313 R N 1.836 122.274 120.500 -0.103 0.000 2.215 313 R HA 0.322 4.662 4.340 -0.000 0.000 0.336 313 R C 1.252 177.072 176.300 -0.799 0.000 0.996 313 R CA 0.248 56.039 56.100 -0.515 0.000 0.847 313 R CB 1.199 30.989 30.300 -0.850 0.000 1.127 313 R HN 0.471 nan 8.270 nan 0.000 0.465 314 S N 2.658 117.676 115.700 -1.137 0.000 2.383 314 S HA -0.251 4.219 4.470 -0.000 0.000 0.229 314 S C 1.654 175.811 174.600 -0.739 0.000 1.030 314 S CA 1.203 58.430 58.200 -1.623 0.000 1.002 314 S CB -0.426 61.782 63.200 -1.654 0.000 0.829 314 S HN 0.792 nan 8.310 nan 0.000 0.467 315 Y N 0.734 120.795 120.300 -0.398 0.000 2.529 315 Y HA 0.706 5.256 4.550 -0.000 0.000 0.290 315 Y C 1.054 176.864 175.900 -0.150 0.000 1.177 315 Y CA -0.498 57.465 58.100 -0.228 0.000 1.305 315 Y CB -0.428 37.923 38.460 -0.181 0.000 1.047 315 Y HN 0.348 nan 8.280 nan 0.000 0.522 316 A N 0.873 123.437 122.820 -0.428 0.000 3.253 316 A HA 0.315 4.635 4.320 -0.000 0.000 0.290 316 A C -0.227 177.285 177.584 -0.120 0.000 0.950 316 A CA -0.663 51.239 52.037 -0.224 0.000 0.986 316 A CB -0.203 18.620 19.000 -0.294 0.000 1.104 316 A HN 0.416 nan 8.150 nan 0.000 0.481 317 Q N 0.427 120.212 119.800 -0.024 0.000 2.396 317 Q HA 0.138 4.478 4.340 -0.000 0.000 0.221 317 Q C 0.743 176.816 176.000 0.121 0.000 1.025 317 Q CA -0.008 55.874 55.803 0.131 0.000 0.946 317 Q CB 0.848 29.719 28.738 0.222 0.000 1.224 317 Q HN 0.671 nan 8.270 nan 0.000 0.539 318 D N -0.062 120.444 120.400 0.177 0.000 2.149 318 D HA -0.285 4.355 4.640 -0.000 0.000 0.194 318 D C 1.234 177.538 176.300 0.006 0.000 1.001 318 D CA 1.971 56.031 54.000 0.099 0.000 0.849 318 D CB -0.313 40.580 40.800 0.156 0.000 0.939 318 D HN 0.550 nan 8.370 nan 0.000 0.449 319 H N 0.065 119.142 119.070 0.012 0.000 2.395 319 H HA 0.214 4.770 4.556 -0.000 0.000 0.299 319 H C 2.239 177.350 175.328 -0.361 0.000 1.070 319 H CA 1.121 57.117 56.048 -0.086 0.000 1.356 319 H CB 0.048 29.854 29.762 0.073 0.000 1.401 319 H HN 0.337 nan 8.280 nan 0.000 0.524 320 A N 0.763 123.532 122.820 -0.085 0.000 1.933 320 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 320 A C 2.724 180.284 177.584 -0.041 0.000 1.175 320 A CA 1.398 53.365 52.037 -0.116 0.000 0.628 320 A CB -0.730 18.267 19.000 -0.005 0.000 0.814 320 A HN 0.180 nan 8.150 nan 0.000 0.444 321 V N -0.199 119.706 119.914 -0.015 0.000 2.323 321 V HA -0.127 3.993 4.120 -0.000 0.000 0.244 321 V C 2.838 178.959 176.094 0.044 0.000 1.041 321 V CA 1.804 64.112 62.300 0.014 0.000 1.025 321 V CB -1.494 30.328 31.823 -0.002 0.000 0.656 321 V HN 0.589 nan 8.190 nan 0.000 0.451 322 G N -0.761 108.055 108.800 0.026 0.000 2.440 322 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 322 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 322 G C 1.343 176.389 174.900 0.244 0.000 1.154 322 G CA 1.113 46.264 45.100 0.085 0.000 0.767 322 G HN 0.568 nan 8.290 nan 0.000 0.552 323 H N 0.603 119.767 119.070 0.157 0.000 2.387 323 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 323 H C 2.791 178.239 175.328 0.199 0.000 1.099 323 H CA 0.944 57.149 56.048 0.261 0.000 1.315 323 H CB -0.857 28.981 29.762 0.127 0.000 1.380 323 H HN 0.348 nan 8.280 nan 0.000 0.513 324 G N 0.085 109.016 108.800 0.219 0.000 2.408 324 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 324 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 324 G C 1.837 176.786 174.900 0.082 0.000 1.150 324 G CA 0.680 45.852 45.100 0.121 0.000 0.776 324 G HN 0.371 nan 8.290 nan 0.000 0.542 325 I N 0.394 120.999 120.570 0.058 0.000 2.353 325 I HA -0.107 4.063 4.170 -0.000 0.000 0.248 325 I C 2.632 178.722 176.117 -0.045 0.000 1.119 325 I CA 0.336 61.600 61.300 -0.059 0.000 1.417 325 I CB -0.025 37.930 38.000 -0.074 0.000 1.078 325 I HN 0.009 nan 8.210 nan 0.000 0.421 326 V N 0.949 120.902 119.914 0.065 0.000 2.548 326 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 326 V C 2.697 178.845 176.094 0.091 0.000 1.055 326 V CA 1.707 64.015 62.300 0.014 0.000 1.065 326 V CB -0.882 30.890 31.823 -0.085 0.000 0.681 326 V HN 0.464 nan 8.190 nan 0.000 0.462 327 A N -0.233 122.738 122.820 0.252 0.000 1.902 327 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 327 A C 2.495 180.117 177.584 0.063 0.000 1.181 327 A CA 2.302 54.467 52.037 0.214 0.000 0.623 327 A CB -0.654 18.428 19.000 0.136 0.000 0.818 327 A HN 0.503 nan 8.150 nan 0.000 0.443 328 S N -0.277 115.427 115.700 0.007 0.000 2.383 328 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 328 S C 1.776 176.310 174.600 -0.111 0.000 1.026 328 S CA 1.336 59.513 58.200 -0.040 0.000 0.981 328 S CB -0.453 62.697 63.200 -0.083 0.000 0.818 328 S HN 0.551 nan 8.310 nan 0.000 0.472 329 I N 1.063 121.528 120.570 -0.175 0.000 2.286 329 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 329 I C 2.080 178.096 176.117 -0.169 0.000 1.115 329 I CA 0.876 61.995 61.300 -0.300 0.000 1.392 329 I CB -0.406 37.436 38.000 -0.263 0.000 1.065 329 I HN 0.149 nan 8.210 nan 0.000 0.418 330 V N 0.831 120.703 119.914 -0.070 0.000 2.427 330 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 330 V C 2.603 178.680 176.094 -0.027 0.000 1.051 330 V CA 1.682 63.970 62.300 -0.020 0.000 1.048 330 V CB -0.704 31.139 31.823 0.033 0.000 0.666 330 V HN 0.371 nan 8.190 nan 0.000 0.456 331 R N 0.564 121.046 120.500 -0.031 0.000 2.075 331 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 331 R C 1.997 178.340 176.300 0.072 0.000 1.126 331 R CA 1.677 57.762 56.100 -0.026 0.000 0.963 331 R CB -0.754 29.558 30.300 0.020 0.000 0.858 331 R HN 0.482 nan 8.270 nan 0.000 0.435 332 L N -0.171 121.048 121.223 -0.007 0.000 2.141 332 L HA 0.012 4.352 4.340 -0.000 0.000 0.209 332 L C 2.373 179.107 176.870 -0.227 0.000 1.094 332 L CA 1.103 55.819 54.840 -0.207 0.000 0.763 332 L CB -0.630 41.277 42.059 -0.253 0.000 0.908 332 L HN 0.275 nan 8.230 nan 0.000 0.437 333 A N -0.485 122.341 122.820 0.009 0.000 2.076 333 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 333 A C 2.221 179.786 177.584 -0.031 0.000 1.160 333 A CA 1.169 53.230 52.037 0.038 0.000 0.653 333 A CB -0.254 18.785 19.000 0.065 0.000 0.801 333 A HN 0.401 nan 8.150 nan 0.000 0.455 334 Q N -1.112 118.701 119.800 0.023 0.000 2.167 334 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 334 Q C 1.603 177.780 176.000 0.295 0.000 0.970 334 Q CA 1.858 57.759 55.803 0.164 0.000 0.855 334 Q CB -0.383 28.474 28.738 0.197 0.000 0.911 334 Q HN 0.999 nan 8.270 nan 0.000 0.438 335 F N -2.181 117.893 119.950 0.207 0.000 2.819 335 F HA 0.614 5.141 4.527 -0.000 0.000 0.325 335 F C 0.680 176.541 175.800 0.101 0.000 1.041 335 F CA -0.525 57.583 58.000 0.180 0.000 1.184 335 F CB -0.381 38.771 39.000 0.253 0.000 1.019 335 F HN -0.158 nan 8.300 nan 0.000 0.590 336 A N 3.940 126.343 122.820 -0.695 0.000 2.547 336 A HA 0.378 4.697 4.320 -0.000 0.000 0.233 336 A C -2.024 175.339 177.584 -0.368 0.000 1.067 336 A CA -0.687 50.951 52.037 -0.666 0.000 0.763 336 A CB -0.751 17.630 19.000 -1.031 0.000 1.007 336 A HN 0.305 nan 8.150 nan 0.000 0.506 337 P HA 0.436 nan 4.420 nan 0.000 0.282 337 P C -0.371 176.778 177.300 -0.251 0.000 1.287 337 P CA -0.183 62.830 63.100 -0.145 0.000 0.792 337 P CB 0.817 32.525 31.700 0.014 0.000 1.163 338 A N 1.198 123.900 122.820 -0.198 0.000 2.340 338 A HA 0.431 4.751 4.320 -0.000 0.000 0.268 338 A C -1.488 175.865 177.584 -0.386 0.000 1.100 338 A CA -1.025 50.845 52.037 -0.277 0.000 0.803 338 A CB -0.685 18.204 19.000 -0.185 0.000 1.043 338 A HN 0.488 nan 8.150 nan 0.000 0.488 339 P HA 0.111 nan 4.420 nan 0.000 0.259 339 P C 0.234 177.159 177.300 -0.625 0.000 1.530 339 P CA 0.147 62.953 63.100 -0.490 0.000 1.022 339 P CB 0.068 31.536 31.700 -0.386 0.000 1.514 340 H N 0.849 119.562 119.070 -0.596 0.000 2.299 340 H HA -0.004 4.552 4.556 -0.000 0.000 0.302 340 H C 2.099 176.625 175.328 -1.336 0.000 1.078 340 H CA 1.672 57.073 56.048 -1.078 0.000 1.323 340 H CB -0.967 27.869 29.762 -1.543 0.000 1.381 340 H HN 0.157 nan 8.280 nan 0.000 0.498 341 A N 1.705 124.039 122.820 -0.809 0.000 1.903 341 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 341 A C 2.745 180.142 177.584 -0.311 0.000 1.191 341 A CA 2.477 54.220 52.037 -0.491 0.000 0.638 341 A CB -1.056 17.767 19.000 -0.295 0.000 0.823 341 A HN 0.477 nan 8.150 nan 0.000 0.451 342 A N -0.454 122.190 122.820 -0.293 0.000 1.877 342 A HA 0.146 4.465 4.320 -0.000 0.000 0.216 342 A C 2.551 180.049 177.584 -0.144 0.000 1.186 342 A CA 2.340 54.267 52.037 -0.184 0.000 0.620 342 A CB -1.118 17.774 19.000 -0.181 0.000 0.822 342 A HN 1.195 nan 8.150 nan 0.000 0.443 343 A N -0.916 121.781 122.820 -0.205 0.000 1.902 343 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 343 A C 2.092 179.755 177.584 0.132 0.000 1.181 343 A CA 1.372 53.369 52.037 -0.067 0.000 0.623 343 A CB -0.865 18.093 19.000 -0.070 0.000 0.818 343 A HN 0.571 nan 8.150 nan 0.000 0.443 344 F N 0.200 120.150 119.950 0.000 0.000 2.126 344 F HA -0.240 4.287 4.527 -0.000 0.000 0.299 344 F C 2.485 178.251 175.800 -0.056 0.000 1.096 344 F CA 1.377 59.360 58.000 -0.029 0.000 1.255 344 F CB -0.193 38.742 39.000 -0.109 0.000 0.997 344 F HN 0.195 nan 8.300 nan 0.000 0.479 345 K N 0.309 120.780 120.400 0.119 0.000 2.057 345 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 345 K C 1.924 178.526 176.600 0.003 0.000 1.049 345 K CA 1.479 57.783 56.287 0.030 0.000 0.931 345 K CB -0.376 32.121 32.500 -0.005 0.000 0.714 345 K HN 0.399 nan 8.250 nan 0.000 0.440 346 Q N 0.537 120.341 119.800 0.007 0.000 2.119 346 Q HA -0.095 4.245 4.340 -0.000 0.000 0.201 346 Q C 2.182 178.179 176.000 -0.005 0.000 0.972 346 Q CA 1.144 56.941 55.803 -0.010 0.000 0.847 346 Q CB -0.085 28.643 28.738 -0.017 0.000 0.903 346 Q HN 0.350 nan 8.270 nan 0.000 0.433 347 I N 0.466 121.058 120.570 0.036 0.000 2.202 347 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 347 I C 2.457 178.549 176.117 -0.042 0.000 1.091 347 I CA 0.852 62.169 61.300 0.029 0.000 1.368 347 I CB -0.458 37.606 38.000 0.108 0.000 1.058 347 I HN 0.153 nan 8.210 nan 0.000 0.410 348 A N 0.980 123.763 122.820 -0.061 0.000 1.865 348 A HA -0.303 4.016 4.320 -0.000 0.000 0.217 348 A C 2.367 179.821 177.584 -0.217 0.000 1.191 348 A CA 2.258 54.192 52.037 -0.171 0.000 0.623 348 A CB -0.657 18.247 19.000 -0.160 0.000 0.826 348 A HN 0.349 nan 8.150 nan 0.000 0.444 349 K N -0.711 119.607 120.400 -0.137 0.000 2.020 349 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 349 K C 2.416 178.943 176.600 -0.121 0.000 1.050 349 K CA 1.662 57.876 56.287 -0.121 0.000 0.929 349 K CB -0.232 32.229 32.500 -0.065 0.000 0.714 349 K HN 0.372 nan 8.250 nan 0.000 0.443 350 R N 0.593 121.036 120.500 -0.093 0.000 2.083 350 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 350 R C 2.067 178.303 176.300 -0.106 0.000 1.137 350 R CA 1.909 57.960 56.100 -0.082 0.000 0.951 350 R CB -0.494 29.769 30.300 -0.062 0.000 0.851 350 R HN 0.168 nan 8.270 nan 0.000 0.434 351 V N 1.490 121.324 119.914 -0.134 0.000 2.343 351 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 351 V C 2.481 178.468 176.094 -0.177 0.000 1.051 351 V CA 1.855 64.070 62.300 -0.141 0.000 1.036 351 V CB -0.438 31.298 31.823 -0.146 0.000 0.654 351 V HN 0.300 nan 8.190 nan 0.000 0.451 352 I N -0.144 120.241 120.570 -0.307 0.000 2.286 352 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 352 I C 2.679 178.692 176.117 -0.173 0.000 1.115 352 I CA 1.614 62.694 61.300 -0.366 0.000 1.392 352 I CB -0.446 37.231 38.000 -0.538 0.000 1.065 352 I HN 0.394 nan 8.210 nan 0.000 0.418 353 Q N 0.434 120.163 119.800 -0.117 0.000 2.172 353 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 353 Q C 2.024 178.010 176.000 -0.024 0.000 0.964 353 Q CA 1.148 56.920 55.803 -0.052 0.000 0.855 353 Q CB -0.079 28.635 28.738 -0.040 0.000 0.918 353 Q HN 0.560 nan 8.270 nan 0.000 0.444 354 E N 0.968 121.147 120.200 -0.035 0.000 2.072 354 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 354 E C 0.370 177.004 176.600 0.057 0.000 0.985 354 E CA 0.445 56.837 56.400 -0.013 0.000 0.801 354 E CB 0.096 29.758 29.700 -0.063 0.000 0.750 354 E HN 0.138 nan 8.360 nan 0.000 0.452 355 D N 0.898 121.355 120.400 0.095 0.000 2.416 355 D HA -0.027 4.613 4.640 -0.000 0.000 0.240 355 D C 0.215 176.624 176.300 0.182 0.000 1.250 355 D CA 0.215 54.351 54.000 0.227 0.000 0.967 355 D CB 0.496 41.515 40.800 0.365 0.000 1.059 355 D HN 0.042 nan 8.370 nan 0.000 0.512 356 T N 0.294 114.950 114.554 0.171 0.000 3.163 356 T HA 0.041 4.391 4.350 -0.000 0.000 0.252 356 T C 1.318 176.100 174.700 0.137 0.000 1.056 356 T CA -0.467 61.707 62.100 0.123 0.000 0.947 356 T CB -0.366 68.562 68.868 0.100 0.000 1.016 356 T HN 0.294 nan 8.240 nan 0.000 0.554 357 F N 1.618 121.566 119.950 -0.005 0.000 2.343 357 F HA 0.517 5.044 4.527 -0.000 0.000 0.286 357 F C 0.568 176.341 175.800 -0.045 0.000 1.057 357 F CA -0.137 57.805 58.000 -0.095 0.000 1.365 357 F CB 0.214 39.005 39.000 -0.350 0.000 1.114 357 F HN 0.190 nan 8.300 nan 0.000 0.545 358 S N 0.250 115.903 115.700 -0.079 0.000 2.614 358 S HA 0.389 4.859 4.470 -0.000 0.000 0.288 358 S C -0.793 173.933 174.600 0.210 0.000 1.137 358 S CA -0.657 57.508 58.200 -0.060 0.000 0.992 358 S CB 0.953 64.200 63.200 0.079 0.000 1.026 358 S HN 0.346 nan 8.310 nan 0.000 0.486 359 S N 4.494 120.236 115.700 0.070 0.000 2.515 359 S HA 0.105 4.575 4.470 -0.000 0.000 0.285 359 S C 1.055 175.604 174.600 -0.084 0.000 1.265 359 S CA -0.339 57.875 58.200 0.023 0.000 1.079 359 S CB -0.453 62.773 63.200 0.043 0.000 0.877 359 S HN 0.755 nan 8.310 nan 0.000 0.493 360 F N 6.577 126.214 119.950 -0.521 0.000 2.120 360 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 360 F C 1.070 176.597 175.800 -0.454 0.000 1.095 360 F CA 1.685 59.147 58.000 -0.896 0.000 1.249 360 F CB -0.378 38.101 39.000 -0.869 0.000 0.995 360 F HN 0.806 nan 8.300 nan 0.000 0.480 361 Y N 0.559 120.714 120.300 -0.242 0.000 2.352 361 Y HA 0.052 4.602 4.550 -0.000 0.000 0.292 361 Y C 2.679 178.445 175.900 -0.223 0.000 1.136 361 Y CA 0.648 58.586 58.100 -0.271 0.000 1.227 361 Y CB -1.545 36.880 38.460 -0.059 0.000 0.991 361 Y HN 0.140 nan 8.280 nan 0.000 0.545 362 G N 0.263 109.054 108.800 -0.014 0.000 2.462 362 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 362 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 362 G C 0.439 175.324 174.900 -0.024 0.000 1.121 362 G CA 1.420 46.519 45.100 -0.002 0.000 0.758 362 G HN 0.501 nan 8.290 nan 0.000 0.559 363 D N -0.862 119.507 120.400 -0.052 0.000 2.740 363 D HA 0.219 4.859 4.640 -0.000 0.000 0.301 363 D C 0.262 176.508 176.300 -0.090 0.000 1.408 363 D CA -0.406 53.575 54.000 -0.032 0.000 0.808 363 D CB -0.138 40.688 40.800 0.044 0.000 1.128 363 D HN 0.329 nan 8.370 nan 0.000 0.465 364 V N -2.534 117.268 119.914 -0.186 0.000 3.126 364 V HA 0.823 4.943 4.120 -0.000 0.000 0.314 364 V C 0.512 176.527 176.094 -0.130 0.000 1.138 364 V CA -0.898 61.279 62.300 -0.205 0.000 1.034 364 V CB 1.283 32.841 31.823 -0.441 0.000 1.075 364 V HN 0.189 nan 8.190 nan 0.000 0.442 365 S N 0.509 116.151 115.700 -0.097 0.000 2.569 365 S HA 0.056 4.526 4.470 -0.000 0.000 0.274 365 S C 1.334 175.895 174.600 -0.066 0.000 1.353 365 S CA 0.480 58.636 58.200 -0.075 0.000 1.023 365 S CB 0.567 63.719 63.200 -0.080 0.000 0.876 365 S HN 1.660 nan 8.310 nan 0.000 0.540 366 T N -1.751 112.769 114.554 -0.057 0.000 2.915 366 T HA -0.107 4.242 4.350 -0.000 0.000 0.269 366 T C 1.214 175.886 174.700 -0.047 0.000 1.071 366 T CA 1.375 63.445 62.100 -0.050 0.000 1.132 366 T CB -0.645 68.195 68.868 -0.046 0.000 0.878 366 T HN 0.702 nan 8.240 nan 0.000 0.479 367 D N 1.219 121.585 120.400 -0.056 0.000 2.149 367 D HA -0.040 4.600 4.640 -0.000 0.000 0.201 367 D C 2.196 178.475 176.300 -0.035 0.000 0.972 367 D CA 1.151 55.117 54.000 -0.056 0.000 0.835 367 D CB -0.411 40.336 40.800 -0.089 0.000 0.966 367 D HN 0.372 nan 8.370 nan 0.000 0.476 368 T N 0.143 114.682 114.554 -0.024 0.000 2.708 368 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 368 T C 2.089 176.862 174.700 0.122 0.000 1.037 368 T CA 0.898 63.022 62.100 0.040 0.000 1.146 368 T CB -0.217 68.663 68.868 0.019 0.000 0.865 368 T HN 0.191 nan 8.240 nan 0.000 0.435 369 I N 0.845 121.464 120.570 0.081 0.000 2.163 369 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 369 I C 2.826 178.962 176.117 0.032 0.000 1.085 369 I CA 1.470 62.837 61.300 0.112 0.000 1.347 369 I CB -0.448 37.541 38.000 -0.018 0.000 1.044 369 I HN 0.164 nan 8.210 nan 0.000 0.408 370 R N 1.527 122.022 120.500 -0.008 0.000 2.082 370 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 370 R C 2.351 178.655 176.300 0.007 0.000 1.136 370 R CA 1.728 57.814 56.100 -0.023 0.000 0.935 370 R CB -0.321 29.962 30.300 -0.028 0.000 0.842 370 R HN 0.301 nan 8.270 nan 0.000 0.430 371 L N 0.121 121.358 121.223 0.023 0.000 2.201 371 L HA -0.067 4.272 4.340 -0.000 0.000 0.212 371 L C 2.633 179.541 176.870 0.064 0.000 1.105 371 L CA 1.003 55.860 54.840 0.028 0.000 0.775 371 L CB -0.408 41.654 42.059 0.004 0.000 0.913 371 L HN 0.373 nan 8.230 nan 0.000 0.440 372 A N -0.315 122.588 122.820 0.138 0.000 1.898 372 A HA -0.098 4.221 4.320 -0.000 0.000 0.214 372 A C 2.288 179.984 177.584 0.186 0.000 1.183 372 A CA 0.889 53.051 52.037 0.208 0.000 0.622 372 A CB -0.153 19.136 19.000 0.481 0.000 0.824 372 A HN 0.112 nan 8.150 nan 0.000 0.444 373 K N 0.352 120.829 120.400 0.129 0.000 2.103 373 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 373 K C 2.156 178.770 176.600 0.023 0.000 1.048 373 K CA 1.324 57.627 56.287 0.025 0.000 0.930 373 K CB -0.806 31.618 32.500 -0.126 0.000 0.716 373 K HN 0.450 nan 8.250 nan 0.000 0.444 374 A N 1.125 123.956 122.820 0.018 0.000 1.972 374 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 374 A C 2.249 179.841 177.584 0.013 0.000 1.169 374 A CA 1.202 53.244 52.037 0.009 0.000 0.635 374 A CB -0.463 18.542 19.000 0.008 0.000 0.810 374 A HN 0.209 nan 8.150 nan 0.000 0.446 375 I N -0.786 119.799 120.570 0.024 0.000 2.277 375 I HA -0.138 4.032 4.170 -0.000 0.000 0.243 375 I C 2.244 178.367 176.117 0.010 0.000 1.094 375 I CA 0.784 62.090 61.300 0.010 0.000 1.393 375 I CB -0.220 37.782 38.000 0.002 0.000 1.078 375 I HN 0.127 nan 8.210 nan 0.000 0.417 376 V N 0.549 120.484 119.914 0.034 0.000 2.427 376 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 376 V C 1.453 177.563 176.094 0.027 0.000 1.051 376 V CA 1.708 64.031 62.300 0.038 0.000 1.048 376 V CB -0.632 31.254 31.823 0.105 0.000 0.666 376 V HN 0.389 nan 8.190 nan 0.000 0.456 377 D N -0.266 120.147 120.400 0.023 0.000 2.336 377 D HA 0.017 4.657 4.640 -0.000 0.000 0.229 377 D C 0.591 176.892 176.300 0.001 0.000 1.061 377 D CA 0.348 54.353 54.000 0.009 0.000 0.875 377 D CB -0.089 40.710 40.800 -0.000 0.000 0.904 377 D HN 0.383 nan 8.370 nan 0.000 0.525 378 D N 1.309 121.709 120.400 -0.000 0.000 2.380 378 D HA 0.060 4.700 4.640 -0.000 0.000 0.230 378 D C -1.419 174.876 176.300 -0.009 0.000 1.154 378 D CA -1.995 52.002 54.000 -0.006 0.000 0.859 378 D CB 1.982 42.777 40.800 -0.008 0.000 1.045 378 D HN -0.030 nan 8.370 nan 0.000 0.495 379 P HA -0.137 nan 4.420 nan 0.000 0.225 379 P C 1.046 178.337 177.300 -0.014 0.000 1.148 379 P CA 0.649 63.743 63.100 -0.010 0.000 0.779 379 P CB 0.224 31.919 31.700 -0.009 0.000 0.780 380 S N -1.124 114.566 115.700 -0.017 0.000 2.522 380 S HA 0.053 4.523 4.470 -0.000 0.000 0.227 380 S C 0.989 175.573 174.600 -0.026 0.000 0.986 380 S CA -0.112 58.075 58.200 -0.022 0.000 0.929 380 S CB -0.844 62.342 63.200 -0.023 0.000 0.769 380 S HN 0.069 nan 8.310 nan 0.000 0.529 381 I N 2.308 122.863 120.570 -0.024 0.000 2.312 381 I HA 0.524 4.694 4.170 -0.000 0.000 0.290 381 I C 0.260 176.361 176.117 -0.026 0.000 1.008 381 I CA -0.680 60.603 61.300 -0.028 0.000 1.226 381 I CB 1.347 39.331 38.000 -0.026 0.000 1.371 381 I HN 0.220 nan 8.210 nan 0.000 0.468 382 A N 8.508 131.311 122.820 -0.030 0.000 2.303 382 A HA 0.735 5.055 4.320 -0.000 0.000 0.317 382 A C -2.554 175.012 177.584 -0.030 0.000 1.149 382 A CA -1.701 50.319 52.037 -0.028 0.000 0.822 382 A CB 0.385 19.367 19.000 -0.029 0.000 1.131 382 A HN 0.389 nan 8.150 nan 0.000 0.493 383 P HA 0.279 nan 4.420 nan 0.000 0.268 383 P C 0.005 177.286 177.300 -0.032 0.000 1.204 383 P CA 0.276 63.355 63.100 -0.034 0.000 0.768 383 P CB 0.759 32.438 31.700 -0.034 0.000 0.842 384 A N 3.493 126.295 122.820 -0.029 0.000 2.386 384 A HA 0.487 4.807 4.320 -0.000 0.000 0.246 384 A C 0.545 178.112 177.584 -0.028 0.000 1.089 384 A CA 0.053 52.075 52.037 -0.026 0.000 0.790 384 A CB -0.331 18.663 19.000 -0.010 0.000 1.042 384 A HN 0.588 nan 8.150 nan 0.000 0.497 385 A N 0.129 122.931 122.820 -0.029 0.000 2.386 385 A HA 0.558 4.878 4.320 -0.000 0.000 0.248 385 A C 0.814 178.381 177.584 -0.027 0.000 1.082 385 A CA 0.190 52.210 52.037 -0.028 0.000 0.789 385 A CB -0.306 18.677 19.000 -0.029 0.000 1.025 385 A HN 2.174 nan 8.150 nan 0.000 0.490 386 A N 2.840 125.640 122.820 -0.032 0.000 2.407 386 A HA 0.565 4.885 4.320 -0.000 0.000 0.248 386 A C -1.768 175.802 177.584 -0.024 0.000 1.082 386 A CA -1.102 50.912 52.037 -0.038 0.000 0.785 386 A CB -0.514 18.456 19.000 -0.051 0.000 1.020 386 A HN 0.743 nan 8.150 nan 0.000 0.489 387 P HA 0.124 nan 4.420 nan 0.000 0.271 387 P C -0.987 176.305 177.300 -0.012 0.000 1.218 387 P CA -0.137 62.962 63.100 -0.001 0.000 0.780 387 P CB 0.508 32.221 31.700 0.023 0.000 0.901 388 N N 2.716 121.403 118.700 -0.022 0.000 2.581 388 N HA 0.416 5.156 4.740 -0.000 0.000 0.279 388 N C -0.889 174.596 175.510 -0.041 0.000 1.124 388 N CA -0.569 52.457 53.050 -0.039 0.000 0.833 388 N CB 0.415 38.876 38.487 -0.043 0.000 1.338 388 N HN 0.296 nan 8.380 nan 0.000 0.533 389 L N -0.083 121.122 121.223 -0.029 0.000 3.176 389 L HA 0.535 4.875 4.340 -0.000 0.000 0.294 389 L C -2.162 174.736 176.870 0.048 0.000 0.981 389 L CA -0.818 54.013 54.840 -0.015 0.000 1.015 389 L CB 0.244 42.290 42.059 -0.022 0.000 1.591 389 L HN 0.458 nan 8.230 nan 0.000 0.371 390 Y N 1.079 121.348 120.300 -0.051 0.000 2.391 390 Y HA 0.744 5.293 4.550 -0.000 0.000 0.341 390 Y C -0.754 175.121 175.900 -0.043 0.000 0.965 390 Y CA -0.420 57.673 58.100 -0.011 0.000 1.067 390 Y CB 1.679 40.151 38.460 0.020 0.000 1.199 390 Y HN 0.822 nan 8.280 nan 0.000 0.450 391 K N 4.478 124.462 120.400 -0.694 0.000 2.468 391 K HA 0.348 4.668 4.320 -0.000 0.000 0.252 391 K C -1.717 174.457 176.600 -0.709 0.000 0.932 391 K CA -0.964 54.986 56.287 -0.560 0.000 0.794 391 K CB 1.973 34.180 32.500 -0.489 0.000 1.241 391 K HN 0.702 nan 8.250 nan 0.000 0.428 392 Q N 2.895 122.415 119.800 -0.466 0.000 2.400 392 Q HA 0.225 4.565 4.340 -0.000 0.000 0.255 392 Q C -1.714 174.111 176.000 -0.291 0.000 1.008 392 Q CA -0.249 55.392 55.803 -0.271 0.000 0.841 392 Q CB 0.683 29.401 28.738 -0.034 0.000 1.220 392 Q HN 0.495 nan 8.270 nan 0.000 0.474 393 Y N 2.981 123.230 120.300 -0.086 0.000 2.736 393 Y HA 0.288 4.838 4.550 -0.000 0.000 0.339 393 Y C 1.240 177.096 175.900 -0.074 0.000 1.301 393 Y CA -0.209 57.849 58.100 -0.070 0.000 1.676 393 Y CB 0.193 38.608 38.460 -0.075 0.000 1.725 393 Y HN 0.885 nan 8.280 nan 0.000 0.466 394 A N 1.754 124.585 122.820 0.019 0.000 1.940 394 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 394 A C 2.379 179.928 177.584 -0.058 0.000 1.176 394 A CA 1.890 53.923 52.037 -0.006 0.000 0.631 394 A CB -0.669 18.319 19.000 -0.020 0.000 0.814 394 A HN 0.691 nan 8.150 nan 0.000 0.446 395 A N -0.259 122.482 122.820 -0.132 0.000 2.070 395 A HA 0.048 4.368 4.320 -0.000 0.000 0.220 395 A C 1.862 179.232 177.584 -0.356 0.000 1.159 395 A CA 1.579 53.394 52.037 -0.370 0.000 0.656 395 A CB -0.581 17.924 19.000 -0.826 0.000 0.800 395 A HN 0.939 nan 8.150 nan 0.000 0.453 396 M N -3.495 115.996 119.600 -0.181 0.000 2.809 396 M HA 0.358 4.838 4.480 -0.000 0.000 0.388 396 M C -0.857 175.421 176.300 -0.036 0.000 1.248 396 M CA -0.330 54.892 55.300 -0.130 0.000 0.885 396 M CB 0.294 32.811 32.600 -0.139 0.000 1.386 396 M HN -0.043 nan 8.290 nan 0.000 0.509 397 D N 2.257 122.657 120.400 0.000 0.000 2.692 397 D HA -0.147 4.493 4.640 -0.000 0.000 0.233 397 D C -0.555 175.783 176.300 0.064 0.000 1.172 397 D CA 0.957 54.991 54.000 0.056 0.000 0.636 397 D CB -0.413 40.437 40.800 0.084 0.000 1.028 397 D HN 0.515 nan 8.370 nan 0.000 0.419 398 R N -0.537 120.006 120.500 0.071 0.000 2.795 398 R HA 0.921 5.261 4.340 -0.000 0.000 0.275 398 R C -0.257 176.122 176.300 0.133 0.000 0.981 398 R CA -0.731 55.410 56.100 0.068 0.000 0.917 398 R CB 2.224 32.518 30.300 -0.010 0.000 1.202 398 R HN 0.074 nan 8.270 nan 0.000 0.469 399 A N 0.556 123.422 122.820 0.077 0.000 2.572 399 A HA 0.744 5.064 4.320 -0.000 0.000 0.295 399 A C -1.502 176.066 177.584 -0.027 0.000 1.072 399 A CA -0.689 51.337 52.037 -0.019 0.000 0.691 399 A CB 2.201 21.168 19.000 -0.055 0.000 1.291 399 A HN 0.389 nan 8.150 nan 0.000 0.404 400 V N 1.424 121.244 119.914 -0.157 0.000 3.012 400 V HA 0.766 4.885 4.120 -0.000 0.000 0.307 400 V C -2.022 174.014 176.094 -0.096 0.000 1.166 400 V CA -0.576 61.697 62.300 -0.046 0.000 0.974 400 V CB 1.925 33.787 31.823 0.066 0.000 1.040 400 V HN 1.353 nan 8.190 nan 0.000 0.428 401 L N 5.413 126.682 121.223 0.076 0.000 2.356 401 L HA 0.681 5.021 4.340 -0.000 0.000 0.277 401 L C -0.783 176.139 176.870 0.087 0.000 0.996 401 L CA 0.188 55.117 54.840 0.148 0.000 0.822 401 L CB 1.953 44.202 42.059 0.317 0.000 1.256 401 L HN 0.699 nan 8.230 nan 0.000 0.413 402 Q N 5.538 125.346 119.800 0.012 0.000 2.331 402 Q HA 0.595 4.935 4.340 -0.000 0.000 0.267 402 Q C -1.014 174.884 176.000 -0.170 0.000 1.006 402 Q CA -0.712 55.064 55.803 -0.044 0.000 0.818 402 Q CB 2.596 31.344 28.738 0.017 0.000 1.276 402 Q HN 0.576 nan 8.270 nan 0.000 0.450 403 R N 1.566 121.835 120.500 -0.385 0.000 2.855 403 R HA 0.566 4.906 4.340 -0.000 0.000 0.266 403 R C -2.638 173.489 176.300 -0.288 0.000 1.034 403 R CA -2.302 53.530 56.100 -0.446 0.000 0.944 403 R CB 0.625 30.386 30.300 -0.899 0.000 1.219 403 R HN 0.336 nan 8.270 nan 0.000 0.474 404 P HA 0.142 nan 4.420 nan 0.000 0.271 404 P C 0.572 177.906 177.300 0.057 0.000 1.233 404 P CA 0.832 63.927 63.100 -0.010 0.000 0.764 404 P CB 0.357 32.071 31.700 0.023 0.000 0.825 405 G N 2.337 111.231 108.800 0.155 0.000 2.213 405 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.236 405 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.236 405 G C -0.097 175.049 174.900 0.410 0.000 0.991 405 G CA 0.179 45.446 45.100 0.278 0.000 0.629 405 G HN 0.632 nan 8.290 nan 0.000 0.517 406 F N -1.882 118.196 119.950 0.214 0.000 2.807 406 F HA 0.846 5.373 4.527 -0.000 0.000 0.316 406 F C -0.770 175.040 175.800 0.017 0.000 1.162 406 F CA -1.085 56.924 58.000 0.015 0.000 0.910 406 F CB 0.858 39.863 39.000 0.008 0.000 1.314 406 F HN 1.171 nan 8.300 nan 0.000 0.454 407 A N 2.408 125.316 122.820 0.146 0.000 2.488 407 A HA 0.707 5.027 4.320 -0.000 0.000 0.298 407 A C -2.566 175.252 177.584 0.390 0.000 1.044 407 A CA -0.677 51.462 52.037 0.170 0.000 0.693 407 A CB 1.910 20.938 19.000 0.047 0.000 1.272 407 A HN 1.219 nan 8.150 nan 0.000 0.402 408 L N 2.775 124.229 121.223 0.385 0.000 2.325 408 L HA 0.800 5.139 4.340 -0.000 0.000 0.281 408 L C 0.091 177.120 176.870 0.265 0.000 1.004 408 L CA 0.046 55.095 54.840 0.348 0.000 0.823 408 L CB 0.974 43.226 42.059 0.323 0.000 1.236 408 L HN 0.941 nan 8.230 nan 0.000 0.415 409 G N 4.836 113.825 108.800 0.315 0.000 2.379 409 G HA2 0.543 4.503 3.960 -0.000 0.000 0.327 409 G HA3 0.543 4.503 3.960 -0.000 0.000 0.327 409 G C -1.663 173.359 174.900 0.203 0.000 1.145 409 G CA -0.442 44.795 45.100 0.228 0.000 0.905 409 G HN 0.502 nan 8.290 nan 0.000 0.466 410 L N 2.286 123.546 121.223 0.062 0.000 2.349 410 L HA 0.821 5.161 4.340 -0.000 0.000 0.278 410 L C -0.019 176.835 176.870 -0.026 0.000 0.996 410 L CA -0.891 53.895 54.840 -0.089 0.000 0.825 410 L CB 1.626 43.493 42.059 -0.319 0.000 1.243 410 L HN 0.660 nan 8.230 nan 0.000 0.412 411 A N 6.633 129.480 122.820 0.045 0.000 2.287 411 A HA 0.819 5.139 4.320 -0.000 0.000 0.317 411 A C -1.082 176.564 177.584 0.103 0.000 1.220 411 A CA -0.479 51.615 52.037 0.095 0.000 0.835 411 A CB 0.412 19.533 19.000 0.202 0.000 1.180 411 A HN 0.735 nan 8.150 nan 0.000 0.500 412 L N 1.512 122.812 121.223 0.129 0.000 2.256 412 L HA 0.819 5.159 4.340 -0.000 0.000 0.261 412 L C -0.385 176.685 176.870 0.332 0.000 1.022 412 L CA -1.149 53.837 54.840 0.243 0.000 0.828 412 L CB 1.709 43.895 42.059 0.212 0.000 1.374 412 L HN 0.854 nan 8.230 nan 0.000 0.436 413 Y N -0.945 119.447 120.300 0.152 0.000 2.655 413 Y HA 0.841 5.391 4.550 -0.000 0.000 0.336 413 Y C -0.533 175.444 175.900 0.129 0.000 1.154 413 Y CA -0.434 57.739 58.100 0.121 0.000 1.055 413 Y CB 1.921 40.465 38.460 0.139 0.000 1.295 413 Y HN 0.736 nan 8.280 nan 0.000 0.465 414 S N -0.958 114.638 115.700 -0.174 0.000 3.127 414 S HA 0.208 4.678 4.470 -0.000 0.000 0.314 414 S C 0.385 174.901 174.600 -0.141 0.000 1.238 414 S CA -0.176 57.877 58.200 -0.245 0.000 1.074 414 S CB 0.553 63.723 63.200 -0.050 0.000 1.417 414 S HN 1.179 nan 8.310 nan 0.000 0.597 415 T N -0.518 113.992 114.554 -0.074 0.000 3.035 415 T HA 0.154 4.504 4.350 -0.000 0.000 0.268 415 T C 1.450 176.131 174.700 -0.031 0.000 1.109 415 T CA 0.760 62.838 62.100 -0.037 0.000 1.119 415 T CB -0.407 68.453 68.868 -0.014 0.000 0.900 415 T HN 0.562 nan 8.240 nan 0.000 0.503 416 R N -0.022 120.459 120.500 -0.032 0.000 2.146 416 R HA 0.359 4.699 4.340 -0.000 0.000 0.206 416 R C 0.168 176.427 176.300 -0.068 0.000 1.049 416 R CA 0.279 56.354 56.100 -0.041 0.000 1.029 416 R CB 0.322 30.601 30.300 -0.035 0.000 0.949 416 R HN 0.328 nan 8.270 nan 0.000 0.471 417 I N 0.969 121.512 120.570 -0.045 0.000 2.474 417 I HA 0.230 4.400 4.170 -0.000 0.000 0.294 417 I C 0.046 176.167 176.117 0.008 0.000 1.005 417 I CA -0.576 60.690 61.300 -0.057 0.000 1.113 417 I CB 1.915 39.913 38.000 -0.003 0.000 1.289 417 I HN -0.037 nan 8.210 nan 0.000 0.436 418 S N 2.871 118.478 115.700 -0.156 0.000 2.585 418 S HA 0.086 4.556 4.470 -0.000 0.000 0.273 418 S C 1.473 176.157 174.600 0.141 0.000 1.339 418 S CA -0.242 57.913 58.200 -0.075 0.000 1.028 418 S CB 1.100 64.000 63.200 -0.500 0.000 0.906 418 S HN 0.790 nan 8.310 nan 0.000 0.528 419 S N 1.421 117.208 115.700 0.144 0.000 2.370 419 S HA -0.110 4.360 4.470 -0.000 0.000 0.226 419 S C 0.229 174.960 174.600 0.219 0.000 1.033 419 S CA 1.390 59.550 58.200 -0.067 0.000 1.011 419 S CB -0.695 62.398 63.200 -0.179 0.000 0.852 419 S HN 0.964 nan 8.310 nan 0.000 0.457 420 Y N -1.314 119.033 120.300 0.078 0.000 2.765 420 Y HA 0.665 5.215 4.550 -0.000 0.000 0.350 420 Y C -1.298 174.724 175.900 0.203 0.000 1.196 420 Y CA -1.536 56.610 58.100 0.077 0.000 1.119 420 Y CB 0.468 38.871 38.460 -0.095 0.000 1.368 420 Y HN 0.172 nan 8.280 nan 0.000 0.463 421 E N 1.497 121.628 120.200 -0.115 0.000 2.183 421 E HA 0.651 5.001 4.350 -0.000 0.000 0.271 421 E C -1.476 174.967 176.600 -0.262 0.000 0.919 421 E CA -0.821 55.304 56.400 -0.459 0.000 0.781 421 E CB 1.655 30.695 29.700 -1.100 0.000 1.140 421 E HN 0.717 nan 8.360 nan 0.000 0.402 422 S N 5.643 121.197 115.700 -0.242 0.000 2.673 422 S HA 0.434 4.904 4.470 -0.000 0.000 0.256 422 S C -0.897 173.665 174.600 -0.064 0.000 1.141 422 S CA -0.684 57.455 58.200 -0.102 0.000 1.109 422 S CB -0.071 63.124 63.200 -0.008 0.000 1.101 422 S HN 0.547 nan 8.310 nan 0.000 0.471 423 I N 0.978 121.526 120.570 -0.036 0.000 3.145 423 I HA 0.649 4.819 4.170 -0.000 0.000 0.313 423 I C -0.229 175.902 176.117 0.024 0.000 1.122 423 I CA -1.090 60.216 61.300 0.010 0.000 0.987 423 I CB 1.682 39.706 38.000 0.041 0.000 1.236 423 I HN 0.471 nan 8.210 nan 0.000 0.453 424 N N 1.834 120.569 118.700 0.058 0.000 2.721 424 N HA -0.224 4.516 4.740 -0.000 0.000 0.249 424 N C 0.170 175.708 175.510 0.047 0.000 1.072 424 N CA 1.323 54.423 53.050 0.083 0.000 0.710 424 N CB -1.245 37.299 38.487 0.095 0.000 0.993 424 N HN 0.852 nan 8.380 nan 0.000 0.547 425 S N -2.229 113.487 115.700 0.026 0.000 3.476 425 S HA -0.230 4.240 4.470 -0.000 0.000 0.309 425 S C 0.032 174.631 174.600 -0.000 0.000 1.222 425 S CA 1.271 59.480 58.200 0.015 0.000 0.922 425 S CB -0.800 62.415 63.200 0.025 0.000 1.023 425 S HN 0.631 nan 8.310 nan 0.000 0.591 426 E N 1.151 121.342 120.200 -0.016 0.000 2.191 426 E HA 0.472 4.821 4.350 -0.000 0.000 0.274 426 E C 0.564 177.120 176.600 -0.073 0.000 0.948 426 E CA -0.766 55.609 56.400 -0.041 0.000 0.802 426 E CB 0.824 30.492 29.700 -0.053 0.000 1.137 426 E HN 0.386 nan 8.360 nan 0.000 0.397 427 N N 1.539 120.173 118.700 -0.111 0.000 2.746 427 N HA -0.184 4.556 4.740 -0.000 0.000 0.250 427 N C 0.628 176.016 175.510 -0.204 0.000 1.055 427 N CA 0.101 53.043 53.050 -0.180 0.000 0.699 427 N CB -0.536 37.856 38.487 -0.158 0.000 0.919 427 N HN 0.787 nan 8.380 nan 0.000 0.548 428 G N -0.027 108.634 108.800 -0.231 0.000 2.534 428 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 428 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 428 G C 1.094 175.547 174.900 -0.744 0.000 1.128 428 G CA 0.395 45.333 45.100 -0.271 0.000 0.784 428 G HN 0.471 nan 8.290 nan 0.000 0.542 429 R N 0.250 120.148 120.500 -1.002 0.000 2.700 429 R HA 0.188 4.528 4.340 -0.000 0.000 0.399 429 R C 1.599 177.027 176.300 -1.453 0.000 1.115 429 R CA 0.191 55.160 56.100 -1.886 0.000 1.058 429 R CB 0.872 30.443 30.300 -1.214 0.000 1.389 429 R HN 0.179 nan 8.270 nan 0.000 0.582 430 G N 0.118 108.151 108.800 -1.278 0.000 2.920 430 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.208 430 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.208 430 G C 0.853 174.979 174.900 -1.290 0.000 1.159 430 G CA -0.296 44.226 45.100 -0.964 0.000 0.784 430 G HN 0.299 nan 8.290 nan 0.000 0.535 431 W N 0.910 121.280 121.300 -1.551 0.000 2.289 431 W HA -0.256 4.404 4.660 -0.000 0.000 0.351 431 W C 1.417 177.349 176.519 -0.978 0.000 1.450 431 W CA 1.300 57.772 57.345 -1.455 0.000 1.372 431 W CB -1.296 27.466 29.460 -1.164 0.000 1.074 431 W HN 0.381 nan 8.180 nan 0.000 0.470 432 Y N 0.331 120.599 120.300 -0.053 0.000 2.524 432 Y HA 0.066 4.616 4.550 -0.000 0.000 0.266 432 Y C 2.333 178.264 175.900 0.052 0.000 1.180 432 Y CA 0.955 59.065 58.100 0.016 0.000 1.244 432 Y CB -1.056 37.449 38.460 0.075 0.000 1.125 432 Y HN -0.041 nan 8.280 nan 0.000 0.524 433 T N -3.791 110.821 114.554 0.097 0.000 3.077 433 T HA -0.013 4.336 4.350 -0.000 0.000 0.269 433 T C 1.610 176.446 174.700 0.225 0.000 1.146 433 T CA 1.207 63.420 62.100 0.189 0.000 1.091 433 T CB -0.209 68.669 68.868 0.017 0.000 0.892 433 T HN 0.402 nan 8.240 nan 0.000 0.533 434 G N -0.212 108.687 108.800 0.166 0.000 4.424 434 G HA2 0.557 4.517 3.960 -0.000 0.000 0.287 434 G HA3 0.557 4.517 3.960 -0.000 0.000 0.287 434 G C 0.249 175.283 174.900 0.223 0.000 1.023 434 G CA -0.031 45.176 45.100 0.179 0.000 0.790 434 G HN 0.608 nan 8.290 nan 0.000 0.468 435 A N 0.353 123.338 122.820 0.274 0.000 3.232 435 A HA 0.621 4.941 4.320 -0.000 0.000 0.312 435 A C 1.369 179.214 177.584 0.435 0.000 1.185 435 A CA 0.262 52.549 52.037 0.416 0.000 1.011 435 A CB -0.564 18.754 19.000 0.529 0.000 1.096 435 A HN 1.572 nan 8.150 nan 0.000 0.543 436 G N -0.336 108.678 108.800 0.357 0.000 2.160 436 G HA2 0.137 4.097 3.960 -0.000 0.000 0.244 436 G HA3 0.137 4.097 3.960 -0.000 0.000 0.244 436 G C 0.397 175.444 174.900 0.246 0.000 1.022 436 G CA 0.213 45.535 45.100 0.371 0.000 0.741 436 G HN 1.882 nan 8.290 nan 0.000 0.508 437 A N 0.480 123.374 122.820 0.124 0.000 2.366 437 A HA 0.785 5.105 4.320 -0.000 0.000 0.272 437 A C 0.806 178.302 177.584 -0.145 0.000 1.135 437 A CA 0.811 52.853 52.037 0.007 0.000 0.804 437 A CB 0.446 19.449 19.000 0.006 0.000 1.064 437 A HN 1.706 nan 8.150 nan 0.000 0.499 438 T N 0.027 114.473 114.554 -0.181 0.000 2.824 438 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 438 T C -0.930 173.596 174.700 -0.290 0.000 0.995 438 T CA -0.308 61.717 62.100 -0.124 0.000 1.009 438 T CB 0.557 69.469 68.868 0.074 0.000 0.955 438 T HN 0.369 nan 8.240 nan 0.000 0.452 439 Y N 2.122 122.458 120.300 0.059 0.000 2.326 439 Y HA 0.576 5.126 4.550 -0.000 0.000 0.331 439 Y C -0.381 175.549 175.900 0.049 0.000 0.962 439 Y CA -1.412 56.693 58.100 0.009 0.000 1.167 439 Y CB 1.643 40.054 38.460 -0.082 0.000 1.148 439 Y HN 0.641 nan 8.280 nan 0.000 0.463 440 L N 4.983 126.257 121.223 0.085 0.000 2.272 440 L HA 0.524 4.864 4.340 -0.000 0.000 0.289 440 L C -1.679 175.081 176.870 -0.182 0.000 1.032 440 L CA -0.838 54.020 54.840 0.030 0.000 0.810 440 L CB 0.172 42.224 42.059 -0.012 0.000 1.205 440 L HN 0.460 nan 8.230 nan 0.000 0.422 441 Y N 5.461 125.752 120.300 -0.016 0.000 2.331 441 Y HA 0.484 5.034 4.550 -0.000 0.000 0.338 441 Y C 0.553 176.219 175.900 -0.391 0.000 0.992 441 Y CA -0.387 57.574 58.100 -0.232 0.000 1.121 441 Y CB 1.075 39.251 38.460 -0.474 0.000 1.184 441 Y HN 0.768 nan 8.280 nan 0.000 0.469 442 N N 0.458 119.110 118.700 -0.080 0.000 3.513 442 N HA 0.145 4.885 4.740 -0.000 0.000 0.351 442 N C 0.229 175.872 175.510 0.221 0.000 1.624 442 N CA -0.722 52.367 53.050 0.065 0.000 0.712 442 N CB 0.677 39.193 38.487 0.048 0.000 2.106 442 N HN 0.358 nan 8.380 nan 0.000 0.649 443 Q N 0.451 120.368 119.800 0.195 0.000 2.500 443 Q HA -0.027 4.313 4.340 -0.000 0.000 0.213 443 Q C -0.532 175.545 176.000 0.129 0.000 0.974 443 Q CA 0.969 56.888 55.803 0.192 0.000 0.918 443 Q CB -0.723 28.105 28.738 0.149 0.000 0.980 443 Q HN 0.536 nan 8.270 nan 0.000 0.505 444 D N -0.256 120.183 120.400 0.065 0.000 2.619 444 D HA 0.004 4.644 4.640 -0.000 0.000 0.224 444 D C 0.712 176.998 176.300 -0.023 0.000 1.133 444 D CA -0.040 53.958 54.000 -0.003 0.000 1.017 444 D CB -0.328 40.425 40.800 -0.079 0.000 1.077 444 D HN 0.282 nan 8.370 nan 0.000 0.503 445 L N 1.097 122.350 121.223 0.051 0.000 2.270 445 L HA -0.197 4.143 4.340 -0.000 0.000 0.217 445 L C 2.109 178.786 176.870 -0.321 0.000 1.107 445 L CA 1.310 56.180 54.840 0.050 0.000 0.772 445 L CB -0.485 41.627 42.059 0.087 0.000 0.902 445 L HN 0.341 nan 8.230 nan 0.000 0.439 446 A N -0.831 121.740 122.820 -0.415 0.000 2.208 446 A HA -0.114 4.206 4.320 -0.000 0.000 0.209 446 A C 2.101 179.465 177.584 -0.368 0.000 1.161 446 A CA 0.585 52.269 52.037 -0.588 0.000 0.782 446 A CB -0.156 18.737 19.000 -0.179 0.000 0.816 446 A HN 0.356 nan 8.150 nan 0.000 0.477 447 Q N -0.007 119.557 119.800 -0.394 0.000 2.103 447 Q HA -0.249 4.091 4.340 -0.000 0.000 0.213 447 Q C 0.923 176.444 176.000 -0.799 0.000 1.008 447 Q CA 2.559 57.994 55.803 -0.613 0.000 0.879 447 Q CB -0.602 27.590 28.738 -0.910 0.000 0.946 447 Q HN 0.712 nan 8.270 nan 0.000 0.413 448 Y N -0.497 119.543 120.300 -0.434 0.000 2.466 448 Y HA 0.399 4.949 4.550 -0.000 0.000 0.272 448 Y C 0.897 176.711 175.900 -0.144 0.000 1.169 448 Y CA -0.026 57.720 58.100 -0.591 0.000 1.285 448 Y CB 0.354 38.559 38.460 -0.425 0.000 1.078 448 Y HN -0.048 nan 8.280 nan 0.000 0.523 449 S N -0.835 114.864 115.700 -0.000 0.000 2.623 449 S HA 0.207 4.677 4.470 -0.000 0.000 0.287 449 S C 0.100 174.814 174.600 0.190 0.000 1.123 449 S CA -0.750 57.533 58.200 0.138 0.000 1.016 449 S CB 0.586 63.772 63.200 -0.024 0.000 1.233 449 S HN 0.286 nan 8.310 nan 0.000 0.512 450 E N 0.823 121.200 120.200 0.296 0.000 2.297 450 E HA -0.219 4.131 4.350 -0.000 0.000 0.228 450 E C -1.238 175.520 176.600 0.263 0.000 1.213 450 E CA 0.596 57.161 56.400 0.275 0.000 0.712 450 E CB -1.929 27.893 29.700 0.205 0.000 1.202 450 E HN 0.692 nan 8.360 nan 0.000 0.376 451 D N -2.684 117.972 120.400 0.426 0.000 2.746 451 D HA -0.277 4.363 4.640 -0.000 0.000 0.236 451 D C 0.283 176.615 176.300 0.054 0.000 1.129 451 D CA 1.049 55.242 54.000 0.323 0.000 0.691 451 D CB -1.521 39.431 40.800 0.253 0.000 1.077 451 D HN 0.634 nan 8.370 nan 0.000 0.432 452 Y N -0.555 119.715 120.300 -0.050 0.000 2.163 452 Y HA -0.114 4.435 4.550 -0.000 0.000 0.288 452 Y C 1.828 177.526 175.900 -0.337 0.000 1.136 452 Y CA 1.470 59.455 58.100 -0.193 0.000 1.147 452 Y CB -0.153 38.103 38.460 -0.340 0.000 0.987 452 Y HN 0.291 nan 8.280 nan 0.000 0.509 453 W N 1.394 122.720 121.300 0.042 0.000 2.363 453 W HA -0.105 4.554 4.660 -0.000 0.000 0.296 453 W C -0.442 175.789 176.519 -0.479 0.000 1.212 453 W CA 0.994 58.226 57.345 -0.188 0.000 1.260 453 W CB -1.395 28.024 29.460 -0.069 0.000 1.131 453 W HN 0.174 nan 8.180 nan 0.000 0.530 454 P HA 0.032 nan 4.420 nan 0.000 0.249 454 P C 0.960 178.046 177.300 -0.357 0.000 1.229 454 P CA 1.621 64.377 63.100 -0.574 0.000 0.788 454 P CB 0.251 31.320 31.700 -1.050 0.000 1.072 455 T N -4.333 110.033 114.554 -0.312 0.000 2.987 455 T HA 0.116 4.466 4.350 -0.000 0.000 0.248 455 T C 0.827 175.321 174.700 -0.343 0.000 0.997 455 T CA -0.050 61.929 62.100 -0.201 0.000 1.013 455 T CB -0.769 68.083 68.868 -0.027 0.000 1.077 455 T HN -0.109 nan 8.240 nan 0.000 0.483 456 V N 3.233 122.778 119.914 -0.614 0.000 2.872 456 V HA 0.211 4.331 4.120 -0.000 0.000 0.307 456 V C -0.029 175.703 176.094 -0.602 0.000 1.072 456 V CA -0.207 61.465 62.300 -1.047 0.000 1.148 456 V CB 0.702 31.758 31.823 -1.279 0.000 0.954 456 V HN 0.522 nan 8.190 nan 0.000 0.490 457 D N 5.013 125.072 120.400 -0.569 0.000 2.348 457 D HA 0.231 4.871 4.640 -0.000 0.000 0.259 457 D C 0.902 177.095 176.300 -0.178 0.000 1.296 457 D CA 0.578 54.414 54.000 -0.274 0.000 0.931 457 D CB 1.080 41.739 40.800 -0.234 0.000 1.067 457 D HN 0.712 nan 8.370 nan 0.000 0.503 458 A N 3.924 126.661 122.820 -0.138 0.000 2.178 458 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 458 A C 1.220 178.834 177.584 0.049 0.000 1.157 458 A CA 0.935 52.921 52.037 -0.085 0.000 0.689 458 A CB -0.550 18.308 19.000 -0.237 0.000 0.787 458 A HN 0.673 nan 8.150 nan 0.000 0.465 459 Y N -0.923 119.475 120.300 0.163 0.000 2.511 459 Y HA 0.181 4.731 4.550 -0.000 0.000 0.279 459 Y C 1.166 177.033 175.900 -0.055 0.000 1.157 459 Y CA 0.480 58.651 58.100 0.120 0.000 1.300 459 Y CB 0.242 38.675 38.460 -0.044 0.000 1.052 459 Y HN 0.157 nan 8.280 nan 0.000 0.529 460 R N 0.699 121.212 120.500 0.022 0.000 2.748 460 R HA 0.254 4.593 4.340 -0.000 0.000 0.283 460 R C -1.128 175.148 176.300 -0.040 0.000 1.507 460 R CA -0.290 55.756 56.100 -0.089 0.000 1.666 460 R CB 0.387 30.561 30.300 -0.211 0.000 1.237 460 R HN -0.025 nan 8.270 nan 0.000 0.633 461 I N 2.417 123.007 120.570 0.033 0.000 2.496 461 I HA 0.172 4.342 4.170 -0.000 0.000 0.285 461 I C -1.943 174.188 176.117 0.024 0.000 1.080 461 I CA -2.974 58.362 61.300 0.060 0.000 1.404 461 I CB 0.411 38.498 38.000 0.146 0.000 1.403 461 I HN 0.001 nan 8.210 nan 0.000 0.539 462 P HA 0.061 nan 4.420 nan 0.000 0.263 462 P C 0.922 178.270 177.300 0.079 0.000 1.175 462 P CA 0.975 64.092 63.100 0.029 0.000 0.761 462 P CB 0.528 32.238 31.700 0.017 0.000 0.794 463 G N 1.393 110.303 108.800 0.183 0.000 2.304 463 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 463 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 463 G C 0.483 175.594 174.900 0.351 0.000 1.014 463 G CA 0.550 45.869 45.100 0.366 0.000 0.619 463 G HN 0.835 nan 8.290 nan 0.000 0.525 464 T N -1.174 113.510 114.554 0.217 0.000 2.849 464 T HA 0.591 4.940 4.350 -0.000 0.000 0.284 464 T C -0.018 174.758 174.700 0.126 0.000 1.004 464 T CA 0.730 62.953 62.100 0.206 0.000 1.021 464 T CB 1.961 70.904 68.868 0.125 0.000 1.013 464 T HN 0.458 nan 8.240 nan 0.000 0.527 465 T N 1.698 116.349 114.554 0.161 0.000 2.840 465 T HA 0.631 4.981 4.350 -0.000 0.000 0.287 465 T C -0.315 174.488 174.700 0.171 0.000 0.991 465 T CA -0.559 61.633 62.100 0.153 0.000 0.964 465 T CB 0.941 69.931 68.868 0.203 0.000 0.954 465 T HN 1.062 nan 8.240 nan 0.000 0.438 466 V N 0.130 120.079 119.914 0.059 0.000 3.202 466 V HA 1.012 5.132 4.120 -0.000 0.000 0.306 466 V C -0.766 175.339 176.094 0.019 0.000 1.283 466 V CA -1.642 60.682 62.300 0.041 0.000 1.065 466 V CB 1.496 32.994 31.823 -0.541 0.000 1.079 466 V HN 0.948 nan 8.190 nan 0.000 0.448 467 A N 1.244 124.039 122.820 -0.041 0.000 2.354 467 A HA 0.638 4.958 4.320 -0.000 0.000 0.281 467 A C 0.568 177.970 177.584 -0.304 0.000 1.174 467 A CA 0.443 52.290 52.037 -0.316 0.000 0.828 467 A CB 0.094 18.511 19.000 -0.972 0.000 1.099 467 A HN 1.635 nan 8.150 nan 0.000 0.516 468 S N 2.293 117.834 115.700 -0.264 0.000 2.702 468 S HA 0.275 4.745 4.470 -0.000 0.000 0.314 468 S C 1.605 175.966 174.600 -0.398 0.000 1.244 468 S CA 1.294 59.308 58.200 -0.309 0.000 1.058 468 S CB -0.348 62.694 63.200 -0.264 0.000 0.783 468 S HN 2.405 nan 8.310 nan 0.000 0.503 469 G N 3.991 112.486 108.800 -0.508 0.000 2.244 469 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.274 469 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.274 469 G C 0.165 174.430 174.900 -1.058 0.000 1.002 469 G CA 0.745 45.251 45.100 -0.990 0.000 0.740 469 G HN 0.896 nan 8.290 nan 0.000 0.516 470 T N 2.261 116.509 114.554 -0.510 0.000 2.797 470 T HA 0.628 4.978 4.350 -0.000 0.000 0.279 470 T C -2.018 172.686 174.700 0.007 0.000 0.991 470 T CA -0.893 61.033 62.100 -0.289 0.000 0.979 470 T CB 3.120 71.773 68.868 -0.359 0.000 0.943 470 T HN 0.177 nan 8.240 nan 0.000 0.444 471 P HA 0.600 nan 4.420 nan 0.000 0.281 471 P C -0.809 176.268 177.300 -0.371 0.000 1.281 471 P CA -0.757 61.911 63.100 -0.719 0.000 0.811 471 P CB 1.028 31.955 31.700 -1.288 0.000 1.154 472 I N -3.558 116.686 120.570 -0.544 0.000 3.145 472 I HA 0.823 4.993 4.170 -0.000 0.000 0.313 472 I C -0.515 175.599 176.117 -0.005 0.000 1.122 472 I CA -1.661 59.465 61.300 -0.290 0.000 0.987 472 I CB 1.888 39.612 38.000 -0.460 0.000 1.236 472 I HN 0.261 nan 8.210 nan 0.000 0.453 473 A N 1.754 124.605 122.820 0.052 0.000 2.287 473 A HA 0.529 4.849 4.320 -0.000 0.000 0.273 473 A C 0.137 177.813 177.584 0.153 0.000 1.091 473 A CA -0.336 51.783 52.037 0.136 0.000 0.817 473 A CB 0.719 19.763 19.000 0.074 0.000 1.069 473 A HN 0.782 nan 8.150 nan 0.000 0.492 474 S N 0.022 115.713 115.700 -0.016 0.000 2.416 474 S HA 0.583 5.053 4.470 -0.000 0.000 0.287 474 S C 0.160 174.716 174.600 -0.072 0.000 1.139 474 S CA 0.428 58.436 58.200 -0.320 0.000 1.058 474 S CB -0.611 62.252 63.200 -0.561 0.000 0.967 474 S HN 2.078 nan 8.310 nan 0.000 0.495 475 G N 2.875 111.673 108.800 -0.003 0.000 2.316 475 G HA2 0.362 4.321 3.960 -0.000 0.000 0.296 475 G HA3 0.362 4.321 3.960 -0.000 0.000 0.296 475 G C -0.554 174.422 174.900 0.127 0.000 1.399 475 G CA -0.237 44.885 45.100 0.038 0.000 0.833 475 G HN 0.893 nan 8.290 nan 0.000 0.565 476 T N -0.976 113.628 114.554 0.084 0.000 2.828 476 T HA 0.634 4.983 4.350 -0.000 0.000 0.290 476 T C 1.151 175.944 174.700 0.155 0.000 1.019 476 T CA 0.501 62.674 62.100 0.122 0.000 1.031 476 T CB 1.434 70.308 68.868 0.009 0.000 1.001 476 T HN 1.519 nan 8.240 nan 0.000 0.531 477 G N -0.308 108.504 108.800 0.020 0.000 2.532 477 G HA2 0.460 4.420 3.960 -0.000 0.000 0.291 477 G HA3 0.460 4.420 3.960 -0.000 0.000 0.291 477 G C 0.808 175.682 174.900 -0.043 0.000 1.349 477 G CA -0.148 44.912 45.100 -0.066 0.000 1.038 477 G HN 0.984 nan 8.290 nan 0.000 0.518 478 T N -2.973 111.557 114.554 -0.040 0.000 3.044 478 T HA 0.331 4.681 4.350 -0.000 0.000 0.260 478 T C 0.590 175.285 174.700 -0.007 0.000 1.019 478 T CA -0.053 62.041 62.100 -0.010 0.000 0.921 478 T CB 0.209 69.083 68.868 0.010 0.000 1.053 478 T HN 0.249 nan 8.240 nan 0.000 0.533 479 S N 1.746 117.427 115.700 -0.032 0.000 2.475 479 S HA 0.490 4.960 4.470 -0.000 0.000 0.298 479 S C 1.021 175.653 174.600 0.053 0.000 1.119 479 S CA -0.561 57.655 58.200 0.027 0.000 1.085 479 S CB 1.779 64.991 63.200 0.020 0.000 1.028 479 S HN 0.495 nan 8.310 nan 0.000 0.489 480 S N 1.101 116.872 115.700 0.117 0.000 2.517 480 S HA 0.064 4.534 4.470 -0.000 0.000 0.214 480 S C 0.210 174.932 174.600 0.202 0.000 0.991 480 S CA -0.543 57.722 58.200 0.109 0.000 0.906 480 S CB -0.275 62.967 63.200 0.070 0.000 0.789 480 S HN 0.814 nan 8.310 nan 0.000 0.513 481 W N 3.179 124.533 121.300 0.090 0.000 2.110 481 W HA 0.422 5.082 4.660 -0.000 0.000 0.450 481 W C -0.945 175.688 176.519 0.190 0.000 0.893 481 W CA -0.192 57.243 57.345 0.149 0.000 1.688 481 W CB -0.211 29.407 29.460 0.263 0.000 1.779 481 W HN 0.048 nan 8.180 nan 0.000 0.300 482 T N 2.977 117.876 114.554 0.575 0.000 3.011 482 T HA 0.642 4.992 4.350 -0.000 0.000 0.303 482 T C 0.070 174.953 174.700 0.305 0.000 0.997 482 T CA 0.014 62.409 62.100 0.491 0.000 1.007 482 T CB 1.354 70.378 68.868 0.261 0.000 1.017 482 T HN 0.569 nan 8.240 nan 0.000 0.443 483 G N 1.634 110.657 108.800 0.370 0.000 2.403 483 G HA2 0.577 4.537 3.960 -0.000 0.000 0.223 483 G HA3 0.577 4.537 3.960 -0.000 0.000 0.223 483 G C -0.457 174.596 174.900 0.255 0.000 1.287 483 G CA 0.300 45.518 45.100 0.196 0.000 0.982 483 G HN 1.222 nan 8.290 nan 0.000 0.471 484 G N -2.246 106.635 108.800 0.134 0.000 2.325 484 G HA2 0.626 4.585 3.960 -0.000 0.000 0.295 484 G HA3 0.626 4.585 3.960 -0.000 0.000 0.295 484 G C -1.808 173.174 174.900 0.137 0.000 1.274 484 G CA 0.652 45.858 45.100 0.176 0.000 0.857 484 G HN 1.853 nan 8.290 nan 0.000 0.499 485 V N -0.263 119.750 119.914 0.166 0.000 2.769 485 V HA 0.850 4.970 4.120 -0.000 0.000 0.312 485 V C -0.300 175.907 176.094 0.187 0.000 1.061 485 V CA -0.027 62.369 62.300 0.159 0.000 0.931 485 V CB 1.951 33.866 31.823 0.152 0.000 1.010 485 V HN 1.519 nan 8.190 nan 0.000 0.433 486 S N 5.552 121.373 115.700 0.202 0.000 2.519 486 S HA 0.578 5.048 4.470 -0.000 0.000 0.309 486 S C -1.055 173.638 174.600 0.155 0.000 1.100 486 S CA -0.585 57.756 58.200 0.236 0.000 1.059 486 S CB 1.345 64.716 63.200 0.284 0.000 1.008 486 S HN 0.847 nan 8.310 nan 0.000 0.478 487 L N 5.996 127.303 121.223 0.139 0.000 2.315 487 L HA 0.669 5.009 4.340 -0.000 0.000 0.278 487 L C 0.844 177.762 176.870 0.079 0.000 1.088 487 L CA 0.938 55.876 54.840 0.163 0.000 0.899 487 L CB -0.256 41.959 42.059 0.260 0.000 1.277 487 L HN 1.196 nan 8.230 nan 0.000 0.431 488 A N 3.433 126.230 122.820 -0.039 0.000 2.816 488 A HA -0.069 4.251 4.320 -0.000 0.000 0.270 488 A C 1.626 179.178 177.584 -0.054 0.000 1.413 488 A CA 1.233 53.194 52.037 -0.126 0.000 0.866 488 A CB -2.305 16.591 19.000 -0.173 0.000 1.032 488 A HN 2.280 nan 8.150 nan 0.000 0.642 489 G N -2.421 106.387 108.800 0.013 0.000 2.166 489 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.260 489 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.260 489 G C 0.575 175.471 174.900 -0.006 0.000 0.986 489 G CA 1.544 46.663 45.100 0.031 0.000 0.683 489 G HN 1.113 nan 8.290 nan 0.000 0.527 490 Q N -1.920 117.830 119.800 -0.083 0.000 2.387 490 Q HA 0.344 4.684 4.340 -0.000 0.000 0.208 490 Q C 0.601 176.273 176.000 -0.547 0.000 0.935 490 Q CA 0.823 56.405 55.803 -0.369 0.000 0.891 490 Q CB 0.570 28.992 28.738 -0.527 0.000 1.007 490 Q HN 0.665 nan 8.270 nan 0.000 0.548 491 Y N -1.328 119.036 120.300 0.107 0.000 2.665 491 Y HA 0.733 5.283 4.550 -0.000 0.000 0.336 491 Y C 0.273 175.958 175.900 -0.358 0.000 1.085 491 Y CA -1.040 57.069 58.100 0.014 0.000 1.096 491 Y CB 2.080 40.625 38.460 0.143 0.000 1.301 491 Y HN -0.004 nan 8.280 nan 0.000 0.493 492 G N -0.499 107.938 108.800 -0.606 0.000 2.441 492 G HA2 0.664 4.623 3.960 -0.000 0.000 0.294 492 G HA3 0.664 4.623 3.960 -0.000 0.000 0.294 492 G C -2.250 172.232 174.900 -0.696 0.000 1.393 492 G CA -0.298 44.089 45.100 -1.190 0.000 0.796 492 G HN 0.963 nan 8.290 nan 0.000 0.494 493 A N -0.565 122.032 122.820 -0.372 0.000 2.547 493 A HA 0.902 5.221 4.320 -0.000 0.000 0.297 493 A C -0.470 177.131 177.584 0.029 0.000 1.056 493 A CA -0.174 51.745 52.037 -0.195 0.000 0.688 493 A CB 1.609 20.500 19.000 -0.182 0.000 1.282 493 A HN 1.393 nan 8.150 nan 0.000 0.400 494 S N -0.604 115.155 115.700 0.099 0.000 2.671 494 S HA 0.959 5.429 4.470 -0.000 0.000 0.299 494 S C 0.036 174.859 174.600 0.371 0.000 1.116 494 S CA -0.103 58.282 58.200 0.308 0.000 0.912 494 S CB 2.084 65.502 63.200 0.364 0.000 1.130 494 S HN 1.764 nan 8.310 nan 0.000 0.501 495 G N 0.516 109.634 108.800 0.530 0.000 2.704 495 G HA2 0.673 4.633 3.960 -0.000 0.000 0.293 495 G HA3 0.673 4.633 3.960 -0.000 0.000 0.293 495 G C -1.772 173.523 174.900 0.658 0.000 1.421 495 G CA -0.534 44.851 45.100 0.475 0.000 0.870 495 G HN 0.597 nan 8.290 nan 0.000 0.492 496 M N 1.648 121.620 119.600 0.621 0.000 2.238 496 M HA 0.334 4.814 4.480 -0.000 0.000 0.278 496 M C -2.074 174.270 176.300 0.074 0.000 1.040 496 M CA -0.702 54.866 55.300 0.447 0.000 0.969 496 M CB 2.305 35.191 32.600 0.478 0.000 1.694 496 M HN 0.485 nan 8.290 nan 0.000 0.472 497 D N 4.985 125.426 120.400 0.069 0.000 2.393 497 D HA 0.269 4.909 4.640 -0.000 0.000 0.232 497 D C -0.976 175.221 176.300 -0.172 0.000 1.192 497 D CA 0.059 53.922 54.000 -0.228 0.000 0.882 497 D CB 0.537 41.352 40.800 0.025 0.000 1.038 497 D HN 0.681 nan 8.370 nan 0.000 0.499 498 L N 3.150 124.221 121.223 -0.254 0.000 2.331 498 L HA 0.409 4.749 4.340 -0.000 0.000 0.278 498 L C -0.466 176.242 176.870 -0.270 0.000 1.106 498 L CA -0.079 54.614 54.840 -0.246 0.000 0.824 498 L CB 0.805 42.702 42.059 -0.270 0.000 1.142 498 L HN 0.283 nan 8.230 nan 0.000 0.443 499 S N 3.407 118.949 115.700 -0.264 0.000 2.325 499 S HA 0.309 4.779 4.470 -0.000 0.000 0.228 499 S C -1.022 173.545 174.600 -0.056 0.000 0.942 499 S CA -0.590 57.512 58.200 -0.164 0.000 1.070 499 S CB 0.032 63.181 63.200 -0.086 0.000 1.232 499 S HN 0.498 nan 8.310 nan 0.000 0.405 500 Y N 1.494 121.810 120.300 0.028 0.000 2.379 500 Y HA 0.410 4.960 4.550 -0.000 0.000 0.337 500 Y C 1.734 177.583 175.900 -0.085 0.000 1.238 500 Y CA 0.600 58.675 58.100 -0.042 0.000 1.405 500 Y CB 0.588 38.846 38.460 -0.338 0.000 1.310 500 Y HN 0.643 nan 8.280 nan 0.000 0.569 501 G N 0.199 109.073 108.800 0.124 0.000 2.608 501 G HA2 0.073 4.033 3.960 -0.000 0.000 0.210 501 G HA3 0.073 4.033 3.960 -0.000 0.000 0.210 501 G C 1.558 176.460 174.900 0.003 0.000 1.139 501 G CA 0.542 45.678 45.100 0.060 0.000 0.812 501 G HN 0.747 nan 8.290 nan 0.000 0.529 502 A N -0.209 122.558 122.820 -0.088 0.000 1.972 502 A HA 0.358 4.677 4.320 -0.000 0.000 0.219 502 A C 0.770 178.388 177.584 0.056 0.000 1.169 502 A CA 1.342 53.346 52.037 -0.055 0.000 0.635 502 A CB -0.419 18.523 19.000 -0.096 0.000 0.810 502 A HN 0.821 nan 8.150 nan 0.000 0.446 503 Y N -4.075 116.288 120.300 0.105 0.000 2.689 503 Y HA 0.602 5.152 4.550 -0.000 0.000 0.333 503 Y C -0.894 175.087 175.900 0.134 0.000 1.208 503 Y CA -2.357 55.798 58.100 0.091 0.000 1.055 503 Y CB 0.003 38.498 38.460 0.059 0.000 1.304 503 Y HN -0.034 nan 8.280 nan 0.000 0.455 504 N N 1.216 120.136 118.700 0.366 0.000 2.442 504 N HA 0.494 5.234 4.740 -0.000 0.000 0.265 504 N C -1.645 174.065 175.510 0.333 0.000 1.138 504 N CA -0.017 53.184 53.050 0.253 0.000 0.956 504 N CB 0.538 39.114 38.487 0.148 0.000 1.067 504 N HN 0.820 nan 8.380 nan 0.000 0.474 505 L N 2.704 124.074 121.223 0.245 0.000 2.787 505 L HA 0.410 4.750 4.340 -0.000 0.000 0.260 505 L C -1.398 175.483 176.870 0.018 0.000 0.921 505 L CA -0.173 54.791 54.840 0.207 0.000 0.984 505 L CB 1.000 43.346 42.059 0.478 0.000 1.519 505 L HN 0.633 nan 8.230 nan 0.000 0.452 506 S N 3.154 118.826 115.700 -0.046 0.000 2.627 506 S HA 1.109 5.578 4.470 -0.000 0.000 0.283 506 S C -0.601 173.893 174.600 -0.178 0.000 1.127 506 S CA -0.101 58.017 58.200 -0.138 0.000 0.863 506 S CB 2.173 65.303 63.200 -0.116 0.000 1.121 506 S HN 2.118 nan 8.310 nan 0.000 0.479 507 A N 0.964 123.627 122.820 -0.261 0.000 2.522 507 A HA 0.708 5.028 4.320 -0.000 0.000 0.294 507 A C -1.852 175.424 177.584 -0.514 0.000 1.001 507 A CA -1.069 50.774 52.037 -0.324 0.000 0.642 507 A CB 0.877 19.741 19.000 -0.226 0.000 1.326 507 A HN 0.687 nan 8.150 nan 0.000 0.435 508 R N 1.122 121.220 120.500 -0.670 0.000 2.310 508 R HA 0.528 4.868 4.340 -0.000 0.000 0.324 508 R C -1.165 174.700 176.300 -0.726 0.000 0.955 508 R CA -0.271 55.146 56.100 -1.139 0.000 0.830 508 R CB 1.203 30.579 30.300 -1.541 0.000 1.154 508 R HN 0.654 nan 8.270 nan 0.000 0.458 509 K N 1.323 121.381 120.400 -0.569 0.000 2.323 509 K HA 0.492 4.812 4.320 -0.000 0.000 0.259 509 K C -0.499 175.788 176.600 -0.521 0.000 0.947 509 K CA -0.419 55.573 56.287 -0.491 0.000 0.819 509 K CB 2.269 34.571 32.500 -0.331 0.000 1.109 509 K HN 0.393 nan 8.250 nan 0.000 0.429 510 S N 1.382 116.661 115.700 -0.702 0.000 2.634 510 S HA 0.570 5.040 4.470 -0.000 0.000 0.296 510 S C -1.392 172.667 174.600 -0.901 0.000 1.104 510 S CA -0.894 56.977 58.200 -0.547 0.000 0.920 510 S CB 1.260 64.306 63.200 -0.258 0.000 1.111 510 S HN 0.448 nan 8.310 nan 0.000 0.493 511 W N 1.381 122.461 121.300 -0.367 0.000 3.042 511 W HA 0.445 5.105 4.660 -0.000 0.000 0.337 511 W C -2.109 174.055 176.519 -0.592 0.000 1.086 511 W CA -0.689 56.495 57.345 -0.269 0.000 1.236 511 W CB 1.211 30.638 29.460 -0.055 0.000 1.381 511 W HN 0.509 nan 8.180 nan 0.000 0.472 512 F N 3.189 123.132 119.950 -0.013 0.000 2.403 512 F HA 0.382 4.909 4.527 -0.000 0.000 0.355 512 F C 0.153 175.606 175.800 -0.578 0.000 1.119 512 F CA -0.927 56.861 58.000 -0.354 0.000 1.007 512 F CB 1.230 39.955 39.000 -0.458 0.000 1.194 512 F HN -0.101 nan 8.300 nan 0.000 0.443 513 M N 4.929 124.321 119.600 -0.346 0.000 2.063 513 M HA 0.397 4.877 4.480 -0.000 0.000 0.348 513 M C -0.699 175.534 176.300 -0.113 0.000 1.180 513 M CA 0.125 55.345 55.300 -0.133 0.000 1.059 513 M CB 0.168 32.868 32.600 0.167 0.000 1.544 513 M HN 0.464 nan 8.290 nan 0.000 0.447 514 F N 0.290 120.435 119.950 0.325 0.000 2.690 514 F HA 0.377 4.904 4.527 -0.000 0.000 0.332 514 F C 1.615 177.685 175.800 0.450 0.000 1.215 514 F CA -0.906 57.303 58.000 0.349 0.000 1.086 514 F CB 0.406 39.517 39.000 0.184 0.000 1.828 514 F HN 0.589 nan 8.300 nan 0.000 0.519 515 D N -0.208 120.578 120.400 0.644 0.000 2.106 515 D HA -0.149 4.491 4.640 -0.000 0.000 0.203 515 D C 0.779 177.344 176.300 0.442 0.000 0.977 515 D CA 1.688 55.985 54.000 0.495 0.000 0.844 515 D CB -0.870 40.173 40.800 0.405 0.000 1.002 515 D HN 0.561 nan 8.370 nan 0.000 0.461 516 D N -0.447 120.186 120.400 0.389 0.000 2.469 516 D HA 0.025 4.665 4.640 -0.000 0.000 0.215 516 D C 0.208 176.613 176.300 0.175 0.000 1.154 516 D CA -0.182 54.024 54.000 0.345 0.000 0.832 516 D CB 0.210 41.148 40.800 0.230 0.000 1.008 516 D HN 0.484 nan 8.370 nan 0.000 0.506 517 E N 0.431 120.769 120.200 0.230 0.000 2.413 517 E HA 0.497 4.847 4.350 -0.000 0.000 0.277 517 E C -1.517 175.195 176.600 0.187 0.000 0.958 517 E CA -0.929 55.534 56.400 0.105 0.000 0.779 517 E CB 1.619 31.358 29.700 0.065 0.000 1.278 517 E HN -0.047 nan 8.360 nan 0.000 0.456 518 I N 1.000 121.632 120.570 0.104 0.000 2.447 518 I HA 0.266 4.436 4.170 -0.000 0.000 0.287 518 I C -0.675 175.511 176.117 0.115 0.000 1.023 518 I CA -0.863 60.509 61.300 0.120 0.000 1.083 518 I CB 2.097 40.189 38.000 0.154 0.000 1.245 518 I HN 0.321 nan 8.210 nan 0.000 0.434 519 V N 5.388 125.380 119.914 0.130 0.000 2.370 519 V HA 0.749 4.869 4.120 -0.000 0.000 0.279 519 V C 0.335 176.465 176.094 0.059 0.000 1.029 519 V CA -0.574 61.797 62.300 0.119 0.000 0.870 519 V CB 1.308 33.262 31.823 0.218 0.000 0.984 519 V HN 0.813 nan 8.190 nan 0.000 0.451 520 A N 6.767 129.439 122.820 -0.247 0.000 2.288 520 A HA 0.861 5.181 4.320 -0.000 0.000 0.320 520 A C -0.760 176.666 177.584 -0.263 0.000 1.217 520 A CA -0.463 51.314 52.037 -0.434 0.000 0.840 520 A CB 0.573 19.102 19.000 -0.784 0.000 1.179 520 A HN 0.799 nan 8.150 nan 0.000 0.504 521 L N 2.232 123.285 121.223 -0.283 0.000 2.362 521 L HA 0.768 5.108 4.340 -0.000 0.000 0.271 521 L C 0.437 176.852 176.870 -0.760 0.000 1.002 521 L CA -0.656 53.973 54.840 -0.352 0.000 0.818 521 L CB 2.517 44.516 42.059 -0.100 0.000 1.298 521 L HN 0.821 nan 8.230 nan 0.000 0.420 522 G N 0.687 108.675 108.800 -1.353 0.000 2.617 522 G HA2 0.685 4.645 3.960 -0.000 0.000 0.306 522 G HA3 0.685 4.645 3.960 -0.000 0.000 0.306 522 G C -1.054 173.399 174.900 -0.746 0.000 1.360 522 G CA -0.286 43.977 45.100 -1.395 0.000 0.983 522 G HN 0.605 nan 8.290 nan 0.000 0.496 523 S N -0.265 115.130 115.700 -0.508 0.000 2.638 523 S HA 0.691 5.161 4.470 -0.000 0.000 0.274 523 S C 0.747 175.149 174.600 -0.331 0.000 1.157 523 S CA 0.136 58.123 58.200 -0.355 0.000 0.826 523 S CB 1.402 64.428 63.200 -0.290 0.000 1.139 523 S HN 2.445 nan 8.310 nan 0.000 0.474 524 G N 0.592 109.245 108.800 -0.245 0.000 2.361 524 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.294 524 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.294 524 G C -0.023 174.753 174.900 -0.207 0.000 1.004 524 G CA 0.471 45.444 45.100 -0.212 0.000 0.870 524 G HN 0.948 nan 8.290 nan 0.000 0.510 525 I N 1.559 122.001 120.570 -0.212 0.000 2.471 525 I HA 0.210 4.380 4.170 -0.000 0.000 0.294 525 I C 0.507 176.548 176.117 -0.126 0.000 1.123 525 I CA 0.404 61.587 61.300 -0.194 0.000 1.336 525 I CB 0.292 38.113 38.000 -0.298 0.000 1.430 525 I HN 0.100 nan 8.210 nan 0.000 0.533 526 S N 4.137 119.784 115.700 -0.089 0.000 2.568 526 S HA 0.724 5.194 4.470 -0.000 0.000 0.293 526 S C -0.557 174.040 174.600 -0.004 0.000 1.089 526 S CA -0.695 57.478 58.200 -0.045 0.000 0.945 526 S CB 2.330 65.500 63.200 -0.050 0.000 1.077 526 S HN 0.617 nan 8.310 nan 0.000 0.485 527 S N 0.241 115.951 115.700 0.016 0.000 2.552 527 S HA 0.607 5.076 4.470 -0.000 0.000 0.272 527 S C -0.332 174.290 174.600 0.037 0.000 1.150 527 S CA -0.203 58.026 58.200 0.049 0.000 0.849 527 S CB 1.263 64.506 63.200 0.072 0.000 1.113 527 S HN 0.899 nan 8.310 nan 0.000 0.458 528 T N 0.114 114.697 114.554 0.049 0.000 3.170 528 T HA 0.443 4.793 4.350 -0.000 0.000 0.288 528 T C 1.409 176.131 174.700 0.036 0.000 0.992 528 T CA 0.476 62.596 62.100 0.034 0.000 0.909 528 T CB 0.301 69.188 68.868 0.032 0.000 1.133 528 T HN 0.775 nan 8.240 nan 0.000 0.530 529 A N 1.649 124.498 122.820 0.048 0.000 2.019 529 A HA 0.478 4.798 4.320 -0.000 0.000 0.219 529 A C 2.224 179.799 177.584 -0.016 0.000 1.164 529 A CA 1.049 53.104 52.037 0.031 0.000 0.644 529 A CB -1.313 17.699 19.000 0.020 0.000 0.805 529 A HN 1.625 nan 8.150 nan 0.000 0.449 530 G N -1.531 107.256 108.800 -0.021 0.000 2.147 530 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 530 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 530 G C -0.015 174.848 174.900 -0.063 0.000 1.005 530 G CA 0.388 45.468 45.100 -0.033 0.000 0.713 530 G HN 0.569 nan 8.290 nan 0.000 0.515 531 I N 0.301 120.818 120.570 -0.089 0.000 2.465 531 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 531 I C -2.289 173.766 176.117 -0.103 0.000 1.014 531 I CA -2.741 58.478 61.300 -0.134 0.000 1.093 531 I CB 2.338 40.192 38.000 -0.243 0.000 1.267 531 I HN -0.204 nan 8.210 nan 0.000 0.431 532 P HA 0.043 nan 4.420 nan 0.000 0.262 532 P C -0.815 176.459 177.300 -0.045 0.000 1.182 532 P CA 0.234 63.307 63.100 -0.045 0.000 0.761 532 P CB 0.251 31.924 31.700 -0.045 0.000 0.795 533 I N 3.614 124.201 120.570 0.028 0.000 2.437 533 I HA 0.362 4.532 4.170 -0.000 0.000 0.298 533 I C 0.901 177.105 176.117 0.145 0.000 0.984 533 I CA -0.507 60.843 61.300 0.084 0.000 1.214 533 I CB 1.217 39.303 38.000 0.144 0.000 1.365 533 I HN 0.511 nan 8.210 nan 0.000 0.469 534 E N 2.990 123.265 120.200 0.125 0.000 2.390 534 E HA 0.628 4.978 4.350 -0.000 0.000 0.277 534 E C -1.435 175.241 176.600 0.126 0.000 0.939 534 E CA -0.857 55.604 56.400 0.103 0.000 0.769 534 E CB 2.027 31.729 29.700 0.003 0.000 1.251 534 E HN 0.356 nan 8.360 nan 0.000 0.450 535 T N 1.238 115.849 114.554 0.095 0.000 2.809 535 T HA 0.302 4.652 4.350 -0.000 0.000 0.284 535 T C -0.513 174.189 174.700 0.005 0.000 0.992 535 T CA -0.631 61.495 62.100 0.043 0.000 0.957 535 T CB 1.272 70.101 68.868 -0.066 0.000 0.942 535 T HN 0.346 nan 8.240 nan 0.000 0.439 536 V N 4.930 124.850 119.914 0.009 0.000 2.427 536 V HA 0.092 4.211 4.120 -0.000 0.000 0.268 536 V C 1.459 177.523 176.094 -0.049 0.000 1.046 536 V CA -0.084 62.233 62.300 0.029 0.000 0.970 536 V CB 0.821 32.650 31.823 0.011 0.000 1.001 536 V HN 0.820 nan 8.190 nan 0.000 0.476 537 V N 2.902 122.724 119.914 -0.155 0.000 2.346 537 V HA 0.032 4.152 4.120 -0.000 0.000 0.244 537 V C 0.663 176.672 176.094 -0.142 0.000 1.037 537 V CA 1.709 63.753 62.300 -0.426 0.000 1.029 537 V CB -0.196 31.355 31.823 -0.453 0.000 0.663 537 V HN 1.024 nan 8.190 nan 0.000 0.454 538 D N -1.847 118.514 120.400 -0.066 0.000 2.683 538 D HA 0.276 4.916 4.640 -0.000 0.000 0.246 538 D C -1.778 174.538 176.300 0.027 0.000 1.238 538 D CA -0.499 53.521 54.000 0.034 0.000 0.759 538 D CB 1.527 42.401 40.800 0.123 0.000 1.349 538 D HN 0.029 nan 8.370 nan 0.000 0.426 539 N N 1.658 120.396 118.700 0.062 0.000 2.701 539 N HA 0.203 4.943 4.740 -0.000 0.000 0.258 539 N C -1.515 174.086 175.510 0.151 0.000 1.262 539 N CA -0.404 52.684 53.050 0.064 0.000 0.780 539 N CB 0.848 39.334 38.487 -0.001 0.000 1.380 539 N HN 0.210 nan 8.380 nan 0.000 0.548 540 R N 1.316 121.897 120.500 0.134 0.000 2.474 540 R HA 0.307 4.647 4.340 -0.000 0.000 0.295 540 R C 0.044 176.398 176.300 0.091 0.000 0.980 540 R CA -0.701 55.465 56.100 0.111 0.000 0.934 540 R CB 1.451 31.751 30.300 0.001 0.000 1.101 540 R HN 0.405 nan 8.270 nan 0.000 0.469 541 K N 3.316 123.703 120.400 -0.023 0.000 2.349 541 K HA 0.217 4.537 4.320 -0.000 0.000 0.288 541 K C -0.155 176.247 176.600 -0.330 0.000 1.058 541 K CA -0.201 55.802 56.287 -0.474 0.000 0.953 541 K CB 0.423 32.709 32.500 -0.358 0.000 0.997 541 K HN 0.420 nan 8.250 nan 0.000 0.477 542 L N 2.741 123.747 121.223 -0.363 0.000 2.567 542 L HA 0.247 4.587 4.340 -0.000 0.000 0.238 542 L C 0.653 177.408 176.870 -0.192 0.000 1.168 542 L CA -1.175 53.524 54.840 -0.234 0.000 0.817 542 L CB 0.279 42.207 42.059 -0.218 0.000 1.409 542 L HN 0.818 nan 8.230 nan 0.000 0.502 543 N N -0.329 118.294 118.700 -0.129 0.000 2.354 543 N HA 0.031 4.771 4.740 -0.000 0.000 0.246 543 N C 0.946 176.402 175.510 -0.089 0.000 1.285 543 N CA 0.128 53.125 53.050 -0.089 0.000 0.925 543 N CB 0.275 38.730 38.487 -0.052 0.000 1.174 543 N HN 0.657 nan 8.380 nan 0.000 0.478 544 G N -0.800 107.964 108.800 -0.061 0.000 2.507 544 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.221 544 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.221 544 G C 1.152 176.022 174.900 -0.049 0.000 1.119 544 G CA 1.178 46.247 45.100 -0.052 0.000 0.751 544 G HN 0.844 nan 8.290 nan 0.000 0.574 545 A N -0.413 122.382 122.820 -0.041 0.000 2.178 545 A HA 0.476 4.796 4.320 -0.000 0.000 0.211 545 A C 2.094 179.651 177.584 -0.045 0.000 1.157 545 A CA 1.238 53.256 52.037 -0.032 0.000 0.780 545 A CB -0.393 18.596 19.000 -0.017 0.000 0.828 545 A HN 1.612 nan 8.150 nan 0.000 0.476 546 G N 1.022 109.780 108.800 -0.070 0.000 2.258 546 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.274 546 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.274 546 G C 0.129 174.986 174.900 -0.071 0.000 1.021 546 G CA 0.849 45.894 45.100 -0.092 0.000 0.798 546 G HN 0.854 nan 8.290 nan 0.000 0.507 547 D N -0.544 119.829 120.400 -0.044 0.000 2.424 547 D HA 0.035 4.675 4.640 -0.000 0.000 0.220 547 D C 0.434 176.738 176.300 0.006 0.000 1.150 547 D CA -0.609 53.385 54.000 -0.010 0.000 0.831 547 D CB -0.612 40.194 40.800 0.010 0.000 0.981 547 D HN 0.439 nan 8.370 nan 0.000 0.500 548 N N 1.116 119.796 118.700 -0.033 0.000 2.294 548 N HA 0.135 4.875 4.740 -0.000 0.000 0.263 548 N C 0.249 175.802 175.510 0.072 0.000 1.281 548 N CA 0.257 53.303 53.050 -0.007 0.000 0.846 548 N CB 0.793 39.239 38.487 -0.069 0.000 1.061 548 N HN 0.286 nan 8.380 nan 0.000 0.478 549 A N 3.347 126.256 122.820 0.149 0.000 2.386 549 A HA 0.365 4.685 4.320 -0.000 0.000 0.248 549 A C -0.324 177.506 177.584 0.410 0.000 1.082 549 A CA -0.141 52.057 52.037 0.268 0.000 0.789 549 A CB 0.307 19.434 19.000 0.213 0.000 1.025 549 A HN 0.821 nan 8.150 nan 0.000 0.490 550 W N -0.070 121.287 121.300 0.096 0.000 3.248 550 W HA 0.674 5.334 4.660 -0.000 0.000 0.311 550 W C -1.549 175.046 176.519 0.128 0.000 1.258 550 W CA -0.775 56.645 57.345 0.125 0.000 1.191 550 W CB 0.020 29.515 29.460 0.058 0.000 1.389 550 W HN 0.666 nan 8.180 nan 0.000 0.561 551 T N 1.534 116.189 114.554 0.169 0.000 2.901 551 T HA 0.834 5.184 4.350 -0.000 0.000 0.293 551 T C -1.061 173.485 174.700 -0.258 0.000 1.084 551 T CA -0.447 61.597 62.100 -0.093 0.000 1.008 551 T CB 2.005 70.936 68.868 0.104 0.000 1.170 551 T HN 0.825 nan 8.240 nan 0.000 0.509 552 A N 1.362 123.873 122.820 -0.516 0.000 2.402 552 A HA 0.698 5.018 4.320 -0.000 0.000 0.291 552 A C 0.279 177.345 177.584 -0.864 0.000 1.051 552 A CA -0.790 50.853 52.037 -0.656 0.000 0.716 552 A CB 0.151 18.851 19.000 -0.500 0.000 1.223 552 A HN 0.992 nan 8.150 nan 0.000 0.425 553 N N 1.246 119.080 118.700 -1.443 0.000 2.681 553 N HA -0.280 4.460 4.740 -0.000 0.000 0.250 553 N C 0.964 176.132 175.510 -0.571 0.000 1.133 553 N CA 1.400 53.814 53.050 -1.059 0.000 0.732 553 N CB -0.588 37.626 38.487 -0.455 0.000 1.107 553 N HN 2.156 nan 8.380 nan 0.000 0.559 554 G N -1.546 106.838 108.800 -0.693 0.000 2.175 554 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.244 554 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.244 554 G C -0.016 174.833 174.900 -0.085 0.000 0.982 554 G CA 0.330 45.414 45.100 -0.027 0.000 0.641 554 G HN 0.884 nan 8.290 nan 0.000 0.527 555 A N 0.072 122.761 122.820 -0.218 0.000 2.303 555 A HA 0.968 5.288 4.320 -0.000 0.000 0.320 555 A C 0.634 178.098 177.584 -0.199 0.000 1.192 555 A CA 0.742 52.678 52.037 -0.169 0.000 0.821 555 A CB 1.070 19.959 19.000 -0.185 0.000 1.188 555 A HN 2.057 nan 8.150 nan 0.000 0.492 556 A N 2.409 125.154 122.820 -0.125 0.000 2.520 556 A HA 0.522 4.842 4.320 -0.000 0.000 0.235 556 A C -0.034 177.412 177.584 -0.229 0.000 1.065 556 A CA 0.303 52.265 52.037 -0.125 0.000 0.764 556 A CB -0.150 18.826 19.000 -0.039 0.000 1.002 556 A HN 0.861 nan 8.150 nan 0.000 0.502 557 L N 1.656 122.667 121.223 -0.354 0.000 2.334 557 L HA 0.443 4.783 4.340 -0.000 0.000 0.273 557 L C 0.922 177.732 176.870 -0.100 0.000 1.013 557 L CA -0.721 53.836 54.840 -0.472 0.000 0.816 557 L CB 1.938 43.203 42.059 -1.324 0.000 1.278 557 L HN 0.891 nan 8.230 nan 0.000 0.431 558 S N -0.725 114.986 115.700 0.019 0.000 2.558 558 S HA 0.006 4.476 4.470 -0.000 0.000 0.288 558 S C 0.842 175.641 174.600 0.332 0.000 1.318 558 S CA 0.135 58.417 58.200 0.137 0.000 1.056 558 S CB 0.777 64.032 63.200 0.091 0.000 0.853 558 S HN 0.813 nan 8.310 nan 0.000 0.505 559 T N 0.240 114.931 114.554 0.228 0.000 3.105 559 T HA 0.364 4.714 4.350 -0.000 0.000 0.253 559 T C 0.878 175.630 174.700 0.087 0.000 1.047 559 T CA -0.038 62.178 62.100 0.194 0.000 0.944 559 T CB -0.468 68.487 68.868 0.144 0.000 1.016 559 T HN 0.921 nan 8.240 nan 0.000 0.544 560 G N 1.504 110.355 108.800 0.084 0.000 2.441 560 G HA2 0.512 4.472 3.960 -0.000 0.000 0.243 560 G HA3 0.512 4.472 3.960 -0.000 0.000 0.243 560 G C -0.242 174.671 174.900 0.022 0.000 1.281 560 G CA -0.674 44.451 45.100 0.043 0.000 0.854 560 G HN 0.515 nan 8.290 nan 0.000 0.560 561 L N 1.165 122.389 121.223 0.003 0.000 2.417 561 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 561 L C 1.563 178.435 176.870 0.002 0.000 1.158 561 L CA 0.943 55.778 54.840 -0.009 0.000 0.819 561 L CB 1.205 43.254 42.059 -0.017 0.000 1.112 561 L HN 0.961 nan 8.230 nan 0.000 0.458 562 G N 2.308 111.110 108.800 0.003 0.000 2.159 562 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.256 562 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.256 562 G C -0.185 174.725 174.900 0.017 0.000 0.977 562 G CA -0.081 45.025 45.100 0.010 0.000 0.652 562 G HN 0.374 nan 8.290 nan 0.000 0.531 563 V N 0.928 120.856 119.914 0.023 0.000 2.370 563 V HA 0.779 4.899 4.120 -0.000 0.000 0.283 563 V C 0.656 176.774 176.094 0.040 0.000 1.023 563 V CA -0.196 62.124 62.300 0.034 0.000 0.857 563 V CB 1.414 33.267 31.823 0.050 0.000 0.985 563 V HN 1.040 nan 8.190 nan 0.000 0.443 564 A N 5.482 128.320 122.820 0.030 0.000 2.312 564 A HA 0.883 5.203 4.320 -0.000 0.000 0.328 564 A C -0.348 177.238 177.584 0.004 0.000 1.158 564 A CA -0.527 51.524 52.037 0.023 0.000 0.821 564 A CB 1.103 20.118 19.000 0.026 0.000 1.170 564 A HN 0.957 nan 8.150 nan 0.000 0.490 565 Q N 0.466 120.253 119.800 -0.021 0.000 2.403 565 Q HA 0.484 4.824 4.340 -0.000 0.000 0.267 565 Q C -1.456 174.472 176.000 -0.119 0.000 0.991 565 Q CA -0.654 55.119 55.803 -0.050 0.000 0.906 565 Q CB 1.063 29.793 28.738 -0.014 0.000 1.422 565 Q HN 0.422 nan 8.270 nan 0.000 0.400 566 T N 3.379 117.844 114.554 -0.147 0.000 2.845 566 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 566 T C -0.242 174.336 174.700 -0.202 0.000 0.980 566 T CA -0.428 61.550 62.100 -0.203 0.000 1.071 566 T CB 0.344 69.104 68.868 -0.181 0.000 0.941 566 T HN 0.400 nan 8.240 nan 0.000 0.487 567 L N 4.287 125.362 121.223 -0.247 0.000 2.298 567 L HA 0.448 4.788 4.340 -0.000 0.000 0.284 567 L C 0.773 177.489 176.870 -0.256 0.000 1.013 567 L CA -0.883 53.802 54.840 -0.257 0.000 0.824 567 L CB 1.209 43.091 42.059 -0.295 0.000 1.221 567 L HN 0.720 nan 8.230 nan 0.000 0.418 568 T N -1.444 112.983 114.554 -0.212 0.000 2.859 568 T HA 0.566 4.916 4.350 -0.000 0.000 0.281 568 T C 0.876 175.474 174.700 -0.172 0.000 1.005 568 T CA -0.004 61.985 62.100 -0.185 0.000 1.025 568 T CB 1.804 70.586 68.868 -0.143 0.000 0.977 568 T HN 0.884 nan 8.240 nan 0.000 0.458 569 G N 1.488 110.194 108.800 -0.156 0.000 2.295 569 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.287 569 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.287 569 G C -0.048 174.771 174.900 -0.135 0.000 1.055 569 G CA -0.029 44.999 45.100 -0.120 0.000 0.922 569 G HN 1.116 nan 8.290 nan 0.000 0.503 570 V N -0.218 119.576 119.914 -0.201 0.000 2.488 570 V HA 0.234 4.354 4.120 -0.000 0.000 0.277 570 V C 1.313 177.375 176.094 -0.054 0.000 1.046 570 V CA 0.547 62.722 62.300 -0.208 0.000 0.986 570 V CB 1.340 32.946 31.823 -0.362 0.000 0.989 570 V HN 0.515 nan 8.190 nan 0.000 0.475 571 N N 3.586 122.338 118.700 0.087 0.000 2.439 571 N HA 0.173 4.913 4.740 -0.000 0.000 0.176 571 N C -0.103 175.828 175.510 0.701 0.000 1.029 571 N CA 0.215 53.480 53.050 0.360 0.000 0.886 571 N CB 0.514 39.237 38.487 0.392 0.000 1.057 571 N HN 0.808 nan 8.380 nan 0.000 0.437 572 W N -0.217 121.333 121.300 0.417 0.000 3.248 572 W HA 0.639 5.299 4.660 -0.000 0.000 0.311 572 W C -2.226 174.520 176.519 0.378 0.000 1.258 572 W CA -0.720 56.915 57.345 0.483 0.000 1.191 572 W CB 0.378 30.086 29.460 0.412 0.000 1.389 572 W HN -0.447 nan 8.180 nan 0.000 0.561 573 V N 1.898 122.272 119.914 0.767 0.000 2.789 573 V HA 0.420 4.540 4.120 -0.000 0.000 0.311 573 V C -1.237 175.348 176.094 0.819 0.000 1.073 573 V CA -0.582 62.053 62.300 0.559 0.000 0.921 573 V CB 2.096 34.183 31.823 0.440 0.000 1.009 573 V HN 0.690 nan 8.190 nan 0.000 0.426 574 H N 3.470 122.898 119.070 0.597 0.000 2.667 574 H HA 0.752 5.308 4.556 -0.000 0.000 0.353 574 H C -1.635 173.983 175.328 0.483 0.000 1.072 574 H CA -0.622 55.746 56.048 0.534 0.000 1.214 574 H CB 1.744 31.823 29.762 0.529 0.000 1.600 574 H HN 0.552 nan 8.280 nan 0.000 0.527 575 L N 4.851 125.988 121.223 -0.143 0.000 2.343 575 L HA 0.723 5.063 4.340 -0.000 0.000 0.278 575 L C -0.641 176.068 176.870 -0.268 0.000 0.996 575 L CA -0.426 54.402 54.840 -0.020 0.000 0.831 575 L CB 0.982 43.128 42.059 0.146 0.000 1.232 575 L HN 0.854 nan 8.230 nan 0.000 0.413 576 A N 3.735 126.507 122.820 -0.080 0.000 2.477 576 A HA 0.568 4.887 4.320 -0.000 0.000 0.246 576 A C 0.714 178.289 177.584 -0.015 0.000 1.078 576 A CA 0.330 52.372 52.037 0.008 0.000 0.770 576 A CB -0.226 18.855 19.000 0.136 0.000 1.011 576 A HN 0.957 nan 8.150 nan 0.000 0.494 577 G N 0.606 109.404 108.800 -0.004 0.000 2.616 577 G HA2 0.288 4.248 3.960 -0.000 0.000 0.268 577 G HA3 0.288 4.248 3.960 -0.000 0.000 0.268 577 G C 0.470 175.366 174.900 -0.008 0.000 1.213 577 G CA -0.543 44.548 45.100 -0.015 0.000 0.926 577 G HN 0.731 nan 8.290 nan 0.000 0.523 578 N N -0.513 118.172 118.700 -0.025 0.000 2.461 578 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 578 N C 0.774 176.288 175.510 0.006 0.000 1.134 578 N CA 0.718 53.755 53.050 -0.021 0.000 0.878 578 N CB 0.218 38.676 38.487 -0.047 0.000 0.972 578 N HN 0.633 nan 8.380 nan 0.000 0.456 579 T N -4.418 110.149 114.554 0.022 0.000 2.908 579 T HA 0.637 4.987 4.350 -0.000 0.000 0.290 579 T C 1.222 175.950 174.700 0.047 0.000 1.034 579 T CA -0.629 61.495 62.100 0.040 0.000 1.010 579 T CB 2.264 71.164 68.868 0.053 0.000 1.068 579 T HN -0.069 nan 8.240 nan 0.000 0.481 580 A N 1.759 124.609 122.820 0.050 0.000 1.997 580 A HA 0.077 4.397 4.320 -0.000 0.000 0.221 580 A C 0.657 178.280 177.584 0.065 0.000 1.172 580 A CA 1.871 53.941 52.037 0.055 0.000 0.645 580 A CB -1.089 17.941 19.000 0.050 0.000 0.813 580 A HN 1.070 nan 8.150 nan 0.000 0.454 581 D N -6.535 113.905 120.400 0.067 0.000 2.648 581 D HA 0.440 5.080 4.640 -0.000 0.000 0.244 581 D C 0.292 176.641 176.300 0.081 0.000 1.244 581 D CA 0.118 54.164 54.000 0.076 0.000 0.772 581 D CB 0.438 41.281 40.800 0.073 0.000 1.379 581 D HN 1.006 nan 8.370 nan 0.000 0.428 582 G N -0.466 108.387 108.800 0.090 0.000 2.175 582 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 582 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 582 G C 0.563 175.521 174.900 0.097 0.000 0.982 582 G CA 0.950 46.114 45.100 0.107 0.000 0.641 582 G HN 1.545 nan 8.290 nan 0.000 0.527 583 S N -0.733 115.005 115.700 0.064 0.000 2.893 583 S HA 0.397 4.867 4.470 -0.000 0.000 0.258 583 S C -0.092 174.503 174.600 -0.008 0.000 1.034 583 S CA 0.389 58.605 58.200 0.027 0.000 1.167 583 S CB 1.018 64.227 63.200 0.016 0.000 1.137 583 S HN 0.142 nan 8.310 nan 0.000 0.650 584 D N 2.002 122.408 120.400 0.011 0.000 2.368 584 D HA 0.479 5.119 4.640 -0.000 0.000 0.240 584 D C -0.203 176.040 176.300 -0.095 0.000 1.169 584 D CA 0.321 54.299 54.000 -0.036 0.000 0.906 584 D CB 0.612 41.465 40.800 0.088 0.000 1.187 584 D HN 0.368 nan 8.370 nan 0.000 0.435 585 I N 0.287 120.748 120.570 -0.181 0.000 2.569 585 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 585 I C 0.426 176.346 176.117 -0.329 0.000 1.088 585 I CA -0.794 60.344 61.300 -0.271 0.000 1.047 585 I CB 2.286 40.114 38.000 -0.286 0.000 1.237 585 I HN 0.257 nan 8.210 nan 0.000 0.421 586 G N 4.502 113.084 108.800 -0.363 0.000 2.417 586 G HA2 0.706 4.666 3.960 -0.000 0.000 0.334 586 G HA3 0.706 4.666 3.960 -0.000 0.000 0.334 586 G C -1.758 172.864 174.900 -0.463 0.000 1.150 586 G CA -0.287 44.713 45.100 -0.167 0.000 0.923 586 G HN 0.440 nan 8.290 nan 0.000 0.485 587 Y N -0.008 120.390 120.300 0.163 0.000 2.331 587 Y HA 0.350 4.900 4.550 -0.000 0.000 0.326 587 Y C -0.990 174.931 175.900 0.035 0.000 1.020 587 Y CA -1.093 57.023 58.100 0.027 0.000 1.136 587 Y CB 1.887 40.354 38.460 0.011 0.000 1.157 587 Y HN 0.616 nan 8.280 nan 0.000 0.444 588 Y N 3.945 124.199 120.300 -0.077 0.000 2.341 588 Y HA 0.675 5.224 4.550 -0.000 0.000 0.337 588 Y C -1.767 174.035 175.900 -0.163 0.000 1.014 588 Y CA -2.440 55.693 58.100 0.054 0.000 1.111 588 Y CB 0.691 39.271 38.460 0.200 0.000 1.194 588 Y HN 0.477 nan 8.280 nan 0.000 0.462 589 F N 7.636 127.381 119.950 -0.341 0.000 2.359 589 F HA 0.452 4.979 4.527 -0.000 0.000 0.369 589 F C -2.343 173.098 175.800 -0.599 0.000 1.084 589 F CA -2.603 55.195 58.000 -0.337 0.000 1.096 589 F CB 1.037 40.010 39.000 -0.046 0.000 1.335 589 F HN 0.425 nan 8.300 nan 0.000 0.457 590 P HA 0.147 nan 4.420 nan 0.000 0.262 590 P C 0.859 178.154 177.300 -0.009 0.000 1.199 590 P CA 0.926 63.887 63.100 -0.232 0.000 0.763 590 P CB 0.726 32.388 31.700 -0.063 0.000 0.790 591 G N 2.618 111.449 108.800 0.052 0.000 2.179 591 G HA2 0.007 3.967 3.960 -0.000 0.000 0.260 591 G HA3 0.007 3.967 3.960 -0.000 0.000 0.260 591 G C 0.521 175.457 174.900 0.061 0.000 0.977 591 G CA 0.152 45.290 45.100 0.063 0.000 0.641 591 G HN 1.016 nan 8.290 nan 0.000 0.533 592 G N -1.322 107.525 108.800 0.078 0.000 2.755 592 G HA2 0.474 4.434 3.960 -0.000 0.000 0.686 592 G HA3 0.474 4.434 3.960 -0.000 0.000 0.686 592 G C -0.020 174.875 174.900 -0.009 0.000 1.427 592 G CA 0.783 45.912 45.100 0.049 0.000 0.873 592 G HN 2.509 nan 8.290 nan 0.000 0.580 593 A N -0.300 122.428 122.820 -0.154 0.000 2.602 593 A HA 0.977 5.297 4.320 -0.000 0.000 0.290 593 A C -0.228 177.157 177.584 -0.332 0.000 1.114 593 A CA 0.393 52.279 52.037 -0.253 0.000 0.683 593 A CB 1.629 20.379 19.000 -0.417 0.000 1.281 593 A HN 1.756 nan 8.150 nan 0.000 0.416 594 T N 1.125 115.498 114.554 -0.301 0.000 2.809 594 T HA 0.571 4.921 4.350 -0.000 0.000 0.284 594 T C -1.207 173.270 174.700 -0.372 0.000 0.992 594 T CA -0.119 61.803 62.100 -0.298 0.000 0.957 594 T CB 0.653 69.396 68.868 -0.209 0.000 0.942 594 T HN 0.423 nan 8.240 nan 0.000 0.439 595 L N 3.837 124.805 121.223 -0.425 0.000 2.329 595 L HA 0.497 4.837 4.340 -0.000 0.000 0.279 595 L C -0.328 176.228 176.870 -0.523 0.000 1.014 595 L CA -0.496 54.056 54.840 -0.479 0.000 0.814 595 L CB 1.850 43.628 42.059 -0.468 0.000 1.257 595 L HN 0.475 nan 8.230 nan 0.000 0.424 596 Q N 2.518 121.836 119.800 -0.804 0.000 2.278 596 Q HA 0.608 4.948 4.340 -0.000 0.000 0.257 596 Q C -0.207 175.065 176.000 -1.212 0.000 0.928 596 Q CA -0.288 54.886 55.803 -1.048 0.000 0.932 596 Q CB 1.708 29.535 28.738 -1.518 0.000 1.221 596 Q HN 0.737 nan 8.270 nan 0.000 0.434 597 T N -0.898 113.244 114.554 -0.687 0.000 2.864 597 T HA 0.834 5.183 4.350 -0.000 0.000 0.299 597 T C -1.041 173.580 174.700 -0.133 0.000 1.166 597 T CA -0.904 60.973 62.100 -0.371 0.000 1.007 597 T CB 2.333 71.168 68.868 -0.055 0.000 1.219 597 T HN 0.629 nan 8.240 nan 0.000 0.506 598 K N 0.491 120.888 120.400 -0.005 0.000 2.572 598 K HA 0.605 4.925 4.320 -0.000 0.000 0.263 598 K C -1.477 175.114 176.600 -0.015 0.000 0.932 598 K CA -1.094 55.217 56.287 0.041 0.000 0.838 598 K CB 2.106 34.681 32.500 0.125 0.000 1.366 598 K HN 0.765 nan 8.250 nan 0.000 0.425 599 R N 2.120 122.598 120.500 -0.036 0.000 2.439 599 R HA 0.272 4.612 4.340 -0.000 0.000 0.310 599 R C -1.342 174.943 176.300 -0.025 0.000 0.955 599 R CA -0.199 55.849 56.100 -0.087 0.000 0.853 599 R CB 1.331 31.538 30.300 -0.156 0.000 1.171 599 R HN 0.959 nan 8.270 nan 0.000 0.449 600 E N 2.705 122.904 120.200 -0.002 0.000 2.430 600 E HA 0.574 4.924 4.350 -0.000 0.000 0.279 600 E C -1.749 174.868 176.600 0.029 0.000 1.003 600 E CA -1.319 55.090 56.400 0.015 0.000 0.801 600 E CB 1.577 31.294 29.700 0.027 0.000 1.313 600 E HN 0.474 nan 8.360 nan 0.000 0.459 601 A N 1.845 124.674 122.820 0.017 0.000 2.249 601 A HA 0.534 4.854 4.320 -0.000 0.000 0.314 601 A C -0.468 177.138 177.584 0.036 0.000 1.290 601 A CA -0.661 51.384 52.037 0.014 0.000 0.893 601 A CB 0.310 19.306 19.000 -0.007 0.000 1.165 601 A HN 0.491 nan 8.150 nan 0.000 0.530 602 R N 1.608 122.154 120.500 0.077 0.000 2.460 602 R HA 0.591 4.931 4.340 -0.000 0.000 0.303 602 R C -0.752 175.560 176.300 0.021 0.000 0.968 602 R CA -0.394 55.734 56.100 0.047 0.000 0.889 602 R CB 2.005 32.330 30.300 0.042 0.000 1.123 602 R HN 0.658 nan 8.270 nan 0.000 0.455 603 T N 0.700 115.249 114.554 -0.007 0.000 2.888 603 T HA 0.737 5.087 4.350 -0.000 0.000 0.284 603 T C -0.041 174.634 174.700 -0.041 0.000 1.017 603 T CA -0.625 61.465 62.100 -0.017 0.000 1.022 603 T CB 1.966 70.829 68.868 -0.008 0.000 1.013 603 T HN 0.802 nan 8.240 nan 0.000 0.465 604 G N 0.601 109.367 108.800 -0.056 0.000 2.548 604 G HA2 0.667 4.627 3.960 -0.000 0.000 0.301 604 G HA3 0.667 4.627 3.960 -0.000 0.000 0.301 604 G C -1.078 173.772 174.900 -0.084 0.000 1.349 604 G CA -0.405 44.644 45.100 -0.085 0.000 0.792 604 G HN 0.915 nan 8.290 nan 0.000 0.481 605 T N -3.202 111.293 114.554 -0.097 0.000 2.900 605 T HA 0.419 4.769 4.350 -0.000 0.000 0.303 605 T C -0.002 174.654 174.700 -0.074 0.000 1.142 605 T CA -0.521 61.558 62.100 -0.036 0.000 1.007 605 T CB 1.685 70.579 68.868 0.044 0.000 1.156 605 T HN 0.541 nan 8.240 nan 0.000 0.490 606 W N 0.931 122.247 121.300 0.027 0.000 2.425 606 W HA 0.127 4.787 4.660 -0.000 0.000 0.277 606 W C 2.486 179.008 176.519 0.005 0.000 1.231 606 W CA 0.695 58.053 57.345 0.022 0.000 1.248 606 W CB -0.113 29.365 29.460 0.030 0.000 1.117 606 W HN 0.736 nan 8.180 nan 0.000 0.568 607 K N 0.881 121.404 120.400 0.205 0.000 2.152 607 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 607 K C 1.761 178.399 176.600 0.063 0.000 1.048 607 K CA 1.623 57.981 56.287 0.120 0.000 0.933 607 K CB -0.347 32.208 32.500 0.091 0.000 0.721 607 K HN 0.209 nan 8.250 nan 0.000 0.447 608 Q N -0.310 119.506 119.800 0.028 0.000 2.226 608 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 608 Q C 1.567 177.543 176.000 -0.041 0.000 0.975 608 Q CA 1.574 57.369 55.803 -0.014 0.000 0.866 608 Q CB -0.054 28.656 28.738 -0.046 0.000 0.915 608 Q HN 0.635 nan 8.270 nan 0.000 0.440 609 I N -4.455 116.093 120.570 -0.038 0.000 4.154 609 I HA 0.315 4.485 4.170 -0.000 0.000 0.334 609 I C -0.091 176.013 176.117 -0.022 0.000 1.371 609 I CA -0.208 61.046 61.300 -0.077 0.000 1.110 609 I CB 0.536 38.457 38.000 -0.132 0.000 1.085 609 I HN -0.104 nan 8.210 nan 0.000 0.398 610 N N 1.830 120.554 118.700 0.041 0.000 2.751 610 N HA 0.184 4.924 4.740 -0.000 0.000 0.234 610 N C -0.636 174.911 175.510 0.062 0.000 1.403 610 N CA -0.308 52.774 53.050 0.054 0.000 0.747 610 N CB 0.458 39.007 38.487 0.104 0.000 1.326 610 N HN 0.086 nan 8.380 nan 0.000 0.532 611 N N 1.621 120.345 118.700 0.039 0.000 3.193 611 N HA 0.121 4.860 4.740 -0.000 0.000 0.312 611 N C -0.930 174.607 175.510 0.045 0.000 1.261 611 N CA 0.166 53.241 53.050 0.042 0.000 1.208 611 N CB 0.052 38.557 38.487 0.030 0.000 1.471 611 N HN 0.423 nan 8.380 nan 0.000 0.548 612 R N 0.921 121.452 120.500 0.052 0.000 2.589 612 R HA 0.316 4.656 4.340 -0.000 0.000 0.293 612 R C -1.403 174.920 176.300 0.039 0.000 0.963 612 R CA -1.878 54.253 56.100 0.052 0.000 0.905 612 R CB 1.368 31.701 30.300 0.053 0.000 1.144 612 R HN 0.211 nan 8.270 nan 0.000 0.459 613 P HA -0.281 nan 4.420 nan 0.000 0.218 613 P C 0.779 178.074 177.300 -0.009 0.000 1.154 613 P CA 1.740 64.844 63.100 0.008 0.000 0.872 613 P CB 0.222 31.922 31.700 0.001 0.000 0.790 614 A N -0.912 121.896 122.820 -0.020 0.000 2.167 614 A HA 0.041 4.361 4.320 -0.000 0.000 0.214 614 A C 1.124 178.703 177.584 -0.008 0.000 1.151 614 A CA 0.620 52.631 52.037 -0.043 0.000 0.735 614 A CB -1.331 17.616 19.000 -0.088 0.000 0.802 614 A HN 0.202 nan 8.150 nan 0.000 0.467 615 T N 3.625 118.198 114.554 0.032 0.000 2.853 615 T HA 0.326 4.676 4.350 -0.000 0.000 0.298 615 T C -2.372 172.370 174.700 0.070 0.000 0.978 615 T CA -0.599 61.542 62.100 0.068 0.000 1.152 615 T CB 0.706 69.635 68.868 0.103 0.000 0.914 615 T HN 0.284 nan 8.240 nan 0.000 0.539 616 P HA 0.137 nan 4.420 nan 0.000 0.271 616 P C 0.256 177.639 177.300 0.138 0.000 1.216 616 P CA -0.348 62.803 63.100 0.085 0.000 0.771 616 P CB 0.834 32.575 31.700 0.068 0.000 0.864 617 S N -0.017 115.744 115.700 0.102 0.000 2.557 617 S HA 0.074 4.544 4.470 -0.000 0.000 0.223 617 S C 0.595 175.251 174.600 0.094 0.000 0.969 617 S CA -0.282 57.976 58.200 0.098 0.000 0.927 617 S CB -0.778 62.461 63.200 0.064 0.000 0.806 617 S HN 0.389 nan 8.310 nan 0.000 0.489 618 T N 3.633 118.252 114.554 0.109 0.000 2.934 618 T HA 0.451 4.801 4.350 -0.000 0.000 0.306 618 T C 0.493 175.254 174.700 0.102 0.000 1.042 618 T CA 0.350 62.508 62.100 0.096 0.000 1.145 618 T CB 0.590 69.519 68.868 0.101 0.000 0.982 618 T HN 0.573 nan 8.240 nan 0.000 0.544 619 A N 2.969 125.829 122.820 0.067 0.000 2.340 619 A HA 0.649 4.969 4.320 -0.000 0.000 0.268 619 A C 0.189 177.803 177.584 0.051 0.000 1.100 619 A CA -0.673 51.392 52.037 0.047 0.000 0.803 619 A CB 0.286 19.303 19.000 0.029 0.000 1.043 619 A HN 0.914 nan 8.150 nan 0.000 0.488 620 V N -0.739 119.194 119.914 0.031 0.000 2.962 620 V HA 0.892 5.012 4.120 -0.000 0.000 0.313 620 V C -0.394 175.703 176.094 0.005 0.000 1.099 620 V CA -0.496 61.824 62.300 0.033 0.000 0.971 620 V CB 1.706 33.563 31.823 0.056 0.000 1.028 620 V HN 0.779 nan 8.190 nan 0.000 0.430 621 T N 4.088 118.645 114.554 0.005 0.000 2.881 621 T HA 0.696 5.046 4.350 -0.000 0.000 0.291 621 T C -0.625 174.058 174.700 -0.028 0.000 0.990 621 T CA -0.626 61.470 62.100 -0.006 0.000 0.976 621 T CB 1.216 70.081 68.868 -0.005 0.000 0.970 621 T HN 0.751 nan 8.240 nan 0.000 0.438 622 R N 2.655 123.131 120.500 -0.039 0.000 2.803 622 R HA 0.542 4.882 4.340 -0.000 0.000 0.276 622 R C -0.589 175.569 176.300 -0.236 0.000 0.978 622 R CA -1.001 55.003 56.100 -0.160 0.000 0.939 622 R CB 1.255 31.418 30.300 -0.229 0.000 1.179 622 R HN 0.503 nan 8.270 nan 0.000 0.472 623 N N 1.425 119.906 118.700 -0.365 0.000 2.473 623 N HA 0.378 5.118 4.740 -0.000 0.000 0.291 623 N C -0.881 174.278 175.510 -0.585 0.000 1.083 623 N CA -0.060 52.804 53.050 -0.309 0.000 0.951 623 N CB 1.023 39.390 38.487 -0.199 0.000 1.164 623 N HN 0.354 nan 8.380 nan 0.000 0.480 624 Y N -0.481 119.743 120.300 -0.126 0.000 2.524 624 Y HA 0.281 4.831 4.550 -0.000 0.000 0.347 624 Y C -0.074 175.726 175.900 -0.167 0.000 1.005 624 Y CA -0.976 57.039 58.100 -0.142 0.000 1.025 624 Y CB 1.892 40.267 38.460 -0.142 0.000 1.275 624 Y HN 0.366 nan 8.280 nan 0.000 0.460 625 E N 1.257 121.440 120.200 -0.029 0.000 2.155 625 E HA 0.504 4.854 4.350 -0.000 0.000 0.264 625 E C -1.507 175.048 176.600 -0.076 0.000 0.886 625 E CA -0.502 55.785 56.400 -0.189 0.000 0.752 625 E CB 1.138 30.608 29.700 -0.383 0.000 1.133 625 E HN 0.555 nan 8.360 nan 0.000 0.414 626 T N 5.555 120.095 114.554 -0.023 0.000 2.807 626 T HA 0.575 4.925 4.350 -0.000 0.000 0.279 626 T C -0.195 174.585 174.700 0.134 0.000 0.993 626 T CA -0.662 61.493 62.100 0.092 0.000 0.970 626 T CB 0.611 69.579 68.868 0.167 0.000 0.950 626 T HN 0.447 nan 8.240 nan 0.000 0.441 627 M N 3.256 122.922 119.600 0.110 0.000 2.327 627 M HA 0.687 5.167 4.480 -0.000 0.000 0.298 627 M C -1.453 174.911 176.300 0.106 0.000 1.065 627 M CA -0.784 54.498 55.300 -0.029 0.000 0.916 627 M CB 2.257 34.754 32.600 -0.171 0.000 1.630 627 M HN 0.891 nan 8.290 nan 0.000 0.442 628 W N 2.142 123.339 121.300 -0.171 0.000 3.074 628 W HA 0.824 5.483 4.660 -0.000 0.000 0.332 628 W C -2.422 173.965 176.519 -0.221 0.000 1.253 628 W CA -0.923 56.306 57.345 -0.194 0.000 1.180 628 W CB 0.616 29.979 29.460 -0.163 0.000 1.445 628 W HN 0.470 nan 8.180 nan 0.000 0.573 629 I N 2.649 123.167 120.570 -0.086 0.000 2.336 629 I HA 0.126 4.296 4.170 -0.000 0.000 0.292 629 I C -0.391 175.568 176.117 -0.263 0.000 0.991 629 I CA -0.516 60.621 61.300 -0.272 0.000 1.227 629 I CB 1.211 39.031 38.000 -0.300 0.000 1.366 629 I HN 0.404 nan 8.210 nan 0.000 0.466 630 D N 5.229 125.489 120.400 -0.233 0.000 2.339 630 D HA 0.144 4.784 4.640 -0.000 0.000 0.241 630 D C 0.463 176.649 176.300 -0.191 0.000 1.183 630 D CA 0.081 54.018 54.000 -0.104 0.000 0.859 630 D CB 0.586 41.365 40.800 -0.035 0.000 1.067 630 D HN 0.449 nan 8.370 nan 0.000 0.484 631 H N 2.335 121.447 119.070 0.069 0.000 2.551 631 H HA 0.376 4.932 4.556 -0.000 0.000 0.271 631 H C 1.317 176.663 175.328 0.030 0.000 0.984 631 H CA 0.242 56.321 56.048 0.052 0.000 1.164 631 H CB 0.500 30.303 29.762 0.068 0.000 1.437 631 H HN 0.662 nan 8.280 nan 0.000 0.550 632 G N 0.346 109.204 108.800 0.096 0.000 2.828 632 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.463 632 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.463 632 G C -0.254 174.675 174.900 0.049 0.000 1.394 632 G CA -0.396 44.737 45.100 0.055 0.000 0.862 632 G HN 0.229 nan 8.290 nan 0.000 0.540 633 T N 0.786 115.352 114.554 0.021 0.000 2.889 633 T HA 0.495 4.845 4.350 -0.000 0.000 0.291 633 T C 0.922 175.630 174.700 0.012 0.000 0.995 633 T CA 0.580 62.683 62.100 0.005 0.000 1.092 633 T CB 0.424 69.285 68.868 -0.011 0.000 0.954 633 T HN 1.019 nan 8.240 nan 0.000 0.506 634 N N 1.746 120.452 118.700 0.011 0.000 2.705 634 N HA -0.131 4.609 4.740 -0.000 0.000 0.255 634 N C -2.487 173.033 175.510 0.016 0.000 1.008 634 N CA -0.366 52.692 53.050 0.013 0.000 0.742 634 N CB -0.570 37.921 38.487 0.007 0.000 0.906 634 N HN 0.467 nan 8.380 nan 0.000 0.541 635 P HA 0.108 nan 4.420 nan 0.000 0.274 635 P C -0.521 176.778 177.300 -0.002 0.000 1.256 635 P CA -0.028 63.085 63.100 0.021 0.000 0.795 635 P CB 1.486 33.209 31.700 0.039 0.000 1.038 636 S N -0.517 115.176 115.700 -0.011 0.000 2.776 636 S HA 0.517 4.987 4.470 -0.000 0.000 0.284 636 S C 0.530 175.107 174.600 -0.038 0.000 1.160 636 S CA 0.242 58.428 58.200 -0.024 0.000 1.051 636 S CB -0.451 62.740 63.200 -0.015 0.000 1.037 636 S HN 0.915 nan 8.310 nan 0.000 0.485 637 G N 2.979 111.742 108.800 -0.062 0.000 2.225 637 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.267 637 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.267 637 G C 0.482 175.332 174.900 -0.083 0.000 1.024 637 G CA 0.280 45.333 45.100 -0.078 0.000 0.784 637 G HN 1.382 nan 8.290 nan 0.000 0.507 638 A N -0.613 122.150 122.820 -0.093 0.000 2.386 638 A HA 0.880 5.200 4.320 -0.000 0.000 0.246 638 A C 0.909 178.403 177.584 -0.149 0.000 1.089 638 A CA 1.075 53.059 52.037 -0.088 0.000 0.790 638 A CB 0.663 19.600 19.000 -0.105 0.000 1.042 638 A HN 2.204 nan 8.150 nan 0.000 0.497 639 S N -1.303 114.350 115.700 -0.079 0.000 2.672 639 S HA 0.814 5.284 4.470 -0.000 0.000 0.271 639 S C -0.947 173.720 174.600 0.111 0.000 1.171 639 S CA -0.130 57.998 58.200 -0.119 0.000 0.817 639 S CB 1.110 64.224 63.200 -0.143 0.000 1.150 639 S HN 2.031 nan 8.310 nan 0.000 0.478 640 Y N -2.289 118.059 120.300 0.080 0.000 2.677 640 Y HA 0.850 5.400 4.550 -0.000 0.000 0.334 640 Y C -0.691 175.289 175.900 0.134 0.000 1.196 640 Y CA -0.674 57.535 58.100 0.183 0.000 1.059 640 Y CB 0.859 39.516 38.460 0.329 0.000 1.315 640 Y HN 1.353 nan 8.280 nan 0.000 0.455 641 G N 1.463 110.546 108.800 0.472 0.000 2.413 641 G HA2 0.519 4.479 3.960 -0.000 0.000 0.285 641 G HA3 0.519 4.479 3.960 -0.000 0.000 0.285 641 G C -2.287 172.817 174.900 0.339 0.000 1.337 641 G CA -0.666 44.601 45.100 0.279 0.000 1.324 641 G HN 1.174 nan 8.290 nan 0.000 0.611 642 Y N 0.033 120.445 120.300 0.186 0.000 2.581 642 Y HA 0.832 5.382 4.550 -0.000 0.000 0.345 642 Y C -1.151 174.751 175.900 0.005 0.000 1.036 642 Y CA -1.826 56.244 58.100 -0.049 0.000 1.042 642 Y CB 1.863 40.247 38.460 -0.127 0.000 1.289 642 Y HN 0.363 nan 8.280 nan 0.000 0.471 643 V N 3.590 123.552 119.914 0.079 0.000 2.487 643 V HA 0.379 4.499 4.120 -0.000 0.000 0.298 643 V C -0.391 175.756 176.094 0.089 0.000 1.028 643 V CA -0.924 61.441 62.300 0.107 0.000 0.860 643 V CB 1.555 33.514 31.823 0.228 0.000 0.991 643 V HN 0.748 nan 8.190 nan 0.000 0.427 644 L N 5.819 127.077 121.223 0.058 0.000 2.281 644 L HA 0.484 4.824 4.340 -0.000 0.000 0.285 644 L C -0.490 176.245 176.870 -0.226 0.000 1.074 644 L CA -0.248 54.542 54.840 -0.083 0.000 0.817 644 L CB 0.853 42.906 42.059 -0.010 0.000 1.168 644 L HN 0.490 nan 8.230 nan 0.000 0.434 645 L N 5.965 126.988 121.223 -0.334 0.000 2.371 645 L HA 0.380 4.720 4.340 -0.000 0.000 0.262 645 L C -2.259 174.407 176.870 -0.340 0.000 1.054 645 L CA -1.831 52.802 54.840 -0.344 0.000 0.924 645 L CB 0.796 42.639 42.059 -0.359 0.000 1.295 645 L HN 0.322 nan 8.230 nan 0.000 0.441 646 P HA 0.052 nan 4.420 nan 0.000 0.269 646 P C 0.078 177.273 177.300 -0.176 0.000 1.209 646 P CA -0.006 62.846 63.100 -0.414 0.000 0.776 646 P CB 0.331 31.485 31.700 -0.910 0.000 0.876 647 N N -1.189 117.464 118.700 -0.077 0.000 2.644 647 N HA -0.235 4.505 4.740 -0.000 0.000 0.248 647 N C -0.280 175.260 175.510 0.050 0.000 1.150 647 N CA 1.310 54.377 53.050 0.028 0.000 0.727 647 N CB -1.278 37.269 38.487 0.100 0.000 1.091 647 N HN 0.562 nan 8.380 nan 0.000 0.556 648 K N 0.790 121.207 120.400 0.029 0.000 2.143 648 K HA 0.267 4.587 4.320 -0.000 0.000 0.272 648 K C 1.080 177.758 176.600 0.130 0.000 1.001 648 K CA -0.326 55.985 56.287 0.041 0.000 0.915 648 K CB 1.007 33.491 32.500 -0.028 0.000 1.047 648 K HN 0.217 nan 8.250 nan 0.000 0.458 649 T N -1.500 113.080 114.554 0.043 0.000 2.732 649 T HA -0.014 4.336 4.350 -0.000 0.000 0.287 649 T C 1.412 175.892 174.700 -0.367 0.000 0.993 649 T CA -0.323 61.752 62.100 -0.042 0.000 0.966 649 T CB 1.298 70.131 68.868 -0.057 0.000 1.047 649 T HN 0.458 nan 8.240 nan 0.000 0.527 650 S N 0.118 115.359 115.700 -0.765 0.000 2.368 650 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 650 S C 2.348 176.734 174.600 -0.357 0.000 1.030 650 S CA 1.376 59.164 58.200 -0.687 0.000 0.999 650 S CB -1.285 61.696 63.200 -0.365 0.000 0.844 650 S HN 0.904 nan 8.310 nan 0.000 0.459 651 A N 0.746 123.430 122.820 -0.227 0.000 1.877 651 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 651 A C 2.131 179.580 177.584 -0.224 0.000 1.186 651 A CA 1.704 53.637 52.037 -0.172 0.000 0.620 651 A CB -0.854 18.093 19.000 -0.089 0.000 0.822 651 A HN 0.698 nan 8.150 nan 0.000 0.443 652 Q N -0.568 119.121 119.800 -0.185 0.000 2.124 652 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 652 Q C 2.097 177.970 176.000 -0.211 0.000 0.977 652 Q CA 1.572 57.289 55.803 -0.145 0.000 0.850 652 Q CB -0.308 28.385 28.738 -0.076 0.000 0.901 652 Q HN 0.504 nan 8.270 nan 0.000 0.429 653 V N 0.144 119.860 119.914 -0.330 0.000 2.358 653 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 653 V C 2.194 177.807 176.094 -0.802 0.000 1.047 653 V CA 1.937 63.977 62.300 -0.434 0.000 1.035 653 V CB -1.111 30.503 31.823 -0.349 0.000 0.658 653 V HN 0.531 nan 8.190 nan 0.000 0.452 654 G N -0.273 107.840 108.800 -1.145 0.000 2.440 654 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 654 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 654 G C 1.777 176.412 174.900 -0.441 0.000 1.154 654 G CA 1.085 45.559 45.100 -1.045 0.000 0.767 654 G HN 0.602 nan 8.290 nan 0.000 0.552 655 A N -0.142 122.503 122.820 -0.292 0.000 1.902 655 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 655 A C 2.211 179.696 177.584 -0.164 0.000 1.181 655 A CA 1.731 53.668 52.037 -0.167 0.000 0.623 655 A CB -0.671 18.262 19.000 -0.112 0.000 0.818 655 A HN 0.482 nan 8.150 nan 0.000 0.443 656 Y N 0.449 120.572 120.300 -0.296 0.000 2.145 656 Y HA -0.076 4.474 4.550 -0.000 0.000 0.286 656 Y C 2.693 178.334 175.900 -0.432 0.000 1.145 656 Y CA 1.406 59.323 58.100 -0.305 0.000 1.148 656 Y CB -0.452 37.840 38.460 -0.281 0.000 0.981 656 Y HN 0.313 nan 8.280 nan 0.000 0.507 657 A N 0.354 122.997 122.820 -0.294 0.000 1.978 657 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 657 A C 2.333 179.790 177.584 -0.212 0.000 1.170 657 A CA 1.940 53.769 52.037 -0.348 0.000 0.636 657 A CB -1.425 17.540 19.000 -0.058 0.000 0.810 657 A HN 0.605 nan 8.150 nan 0.000 0.448 658 A N -1.457 121.262 122.820 -0.168 0.000 2.014 658 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 658 A C 0.974 178.473 177.584 -0.141 0.000 1.163 658 A CA 1.623 53.605 52.037 -0.093 0.000 0.652 658 A CB -0.055 18.904 19.000 -0.068 0.000 0.808 658 A HN 0.429 nan 8.150 nan 0.000 0.449 659 D N -0.973 119.275 120.400 -0.253 0.000 2.823 659 D HA 0.220 4.860 4.640 -0.000 0.000 0.255 659 D C -3.000 173.015 176.300 -0.476 0.000 1.257 659 D CA -1.499 52.342 54.000 -0.265 0.000 0.803 659 D CB 0.897 41.587 40.800 -0.183 0.000 1.384 659 D HN 0.091 nan 8.370 nan 0.000 0.541 660 P HA 0.153 nan 4.420 nan 0.000 0.268 660 P C 0.567 177.479 177.300 -0.646 0.000 1.205 660 P CA -0.214 62.252 63.100 -1.056 0.000 0.771 660 P CB 1.654 32.911 31.700 -0.738 0.000 0.858 661 A N 3.777 126.181 122.820 -0.693 0.000 2.067 661 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 661 A C 1.253 178.761 177.584 -0.127 0.000 1.156 661 A CA 0.781 52.671 52.037 -0.244 0.000 0.683 661 A CB -0.867 18.102 19.000 -0.051 0.000 0.808 661 A HN 0.688 nan 8.150 nan 0.000 0.455 662 I N -3.258 117.303 120.570 -0.015 0.000 2.676 662 I HA 0.685 4.855 4.170 -0.000 0.000 0.309 662 I C -0.352 175.784 176.117 0.032 0.000 0.990 662 I CA -1.006 60.314 61.300 0.033 0.000 1.168 662 I CB 1.530 39.670 38.000 0.232 0.000 1.343 662 I HN 0.141 nan 8.210 nan 0.000 0.482 663 E N 4.736 124.933 120.200 -0.005 0.000 2.278 663 E HA 0.446 4.795 4.350 -0.000 0.000 0.272 663 E C -1.518 175.061 176.600 -0.035 0.000 0.890 663 E CA -0.714 55.683 56.400 -0.005 0.000 0.770 663 E CB 1.691 31.369 29.700 -0.036 0.000 1.212 663 E HN 0.761 nan 8.360 nan 0.000 0.415 664 I N 5.427 125.985 120.570 -0.020 0.000 2.421 664 I HA 0.008 4.178 4.170 -0.000 0.000 0.291 664 I C 1.227 177.301 176.117 -0.071 0.000 1.089 664 I CA -0.206 61.054 61.300 -0.067 0.000 1.354 664 I CB 0.987 38.963 38.000 -0.039 0.000 1.413 664 I HN 0.540 nan 8.210 nan 0.000 0.513 665 V N 7.903 127.753 119.914 -0.106 0.000 2.407 665 V HA -0.018 4.102 4.120 -0.000 0.000 0.245 665 V C 0.702 176.755 176.094 -0.069 0.000 1.041 665 V CA 1.647 63.898 62.300 -0.082 0.000 1.040 665 V CB -0.245 31.522 31.823 -0.093 0.000 0.671 665 V HN 0.665 nan 8.190 nan 0.000 0.455 666 V N -0.691 119.170 119.914 -0.088 0.000 3.147 666 V HA 0.790 4.910 4.120 -0.000 0.000 0.299 666 V C -0.999 175.054 176.094 -0.067 0.000 1.302 666 V CA -0.656 61.604 62.300 -0.067 0.000 1.015 666 V CB 2.261 34.046 31.823 -0.064 0.000 1.086 666 V HN 0.090 nan 8.190 nan 0.000 0.437 667 N N 1.683 120.349 118.700 -0.057 0.000 2.679 667 N HA 0.449 5.189 4.740 -0.000 0.000 0.240 667 N C -0.519 174.944 175.510 -0.078 0.000 1.537 667 N CA 0.568 53.575 53.050 -0.071 0.000 0.793 667 N CB 1.218 39.649 38.487 -0.093 0.000 1.391 667 N HN 1.234 nan 8.380 nan 0.000 0.524 668 T N -2.746 111.778 114.554 -0.051 0.000 2.927 668 T HA 0.401 4.751 4.350 -0.000 0.000 0.286 668 T C 1.345 176.004 174.700 -0.067 0.000 1.040 668 T CA -0.114 61.953 62.100 -0.054 0.000 1.010 668 T CB 1.070 69.927 68.868 -0.019 0.000 1.177 668 T HN 0.083 nan 8.240 nan 0.000 0.546 669 S N -0.717 114.926 115.700 -0.094 0.000 2.555 669 S HA 0.124 4.594 4.470 -0.000 0.000 0.230 669 S C 1.909 176.503 174.600 -0.011 0.000 0.978 669 S CA 0.599 58.705 58.200 -0.157 0.000 0.934 669 S CB -0.897 62.212 63.200 -0.152 0.000 0.766 669 S HN 1.030 nan 8.310 nan 0.000 0.533 670 G N 0.118 108.964 108.800 0.076 0.000 2.490 670 G HA2 0.370 4.330 3.960 -0.000 0.000 0.211 670 G HA3 0.370 4.330 3.960 -0.000 0.000 0.211 670 G C 0.158 175.206 174.900 0.246 0.000 1.159 670 G CA 0.689 45.890 45.100 0.168 0.000 0.819 670 G HN 0.663 nan 8.290 nan 0.000 0.539 671 V N -0.116 119.894 119.914 0.160 0.000 2.924 671 V HA 0.513 4.633 4.120 -0.000 0.000 0.300 671 V C -2.066 174.036 176.094 0.013 0.000 1.227 671 V CA -0.879 61.430 62.300 0.016 0.000 0.954 671 V CB 2.158 33.856 31.823 -0.207 0.000 1.055 671 V HN 0.324 nan 8.190 nan 0.000 0.429 672 Q N 3.260 123.080 119.800 0.033 0.000 2.331 672 Q HA 0.739 5.079 4.340 -0.000 0.000 0.267 672 Q C -1.042 174.990 176.000 0.053 0.000 1.006 672 Q CA -0.365 55.493 55.803 0.092 0.000 0.818 672 Q CB 2.157 31.052 28.738 0.263 0.000 1.276 672 Q HN 0.725 nan 8.270 nan 0.000 0.450 673 S N 1.891 117.528 115.700 -0.104 0.000 2.548 673 S HA 0.678 5.148 4.470 -0.000 0.000 0.276 673 S C -1.428 172.898 174.600 -0.457 0.000 1.129 673 S CA -0.503 57.541 58.200 -0.260 0.000 0.931 673 S CB 1.420 64.513 63.200 -0.179 0.000 1.068 673 S HN 0.335 nan 8.310 nan 0.000 0.480 674 V N 4.748 124.213 119.914 -0.748 0.000 2.709 674 V HA 0.589 4.709 4.120 -0.000 0.000 0.308 674 V C -0.309 175.656 176.094 -0.215 0.000 1.062 674 V CA -0.871 61.115 62.300 -0.524 0.000 0.901 674 V CB 1.981 33.356 31.823 -0.747 0.000 1.003 674 V HN 0.857 nan 8.190 nan 0.000 0.425 675 K N 2.730 123.043 120.400 -0.144 0.000 2.164 675 K HA 0.498 4.818 4.320 -0.000 0.000 0.258 675 K C -0.793 175.638 176.600 -0.282 0.000 0.951 675 K CA -0.576 55.612 56.287 -0.165 0.000 0.844 675 K CB 1.677 34.103 32.500 -0.124 0.000 1.099 675 K HN 0.656 nan 8.250 nan 0.000 0.435 676 E N 4.538 124.438 120.200 -0.500 0.000 2.173 676 E HA 0.050 4.400 4.350 -0.000 0.000 0.249 676 E C 0.233 176.617 176.600 -0.359 0.000 0.923 676 E CA -0.075 55.948 56.400 -0.628 0.000 0.754 676 E CB 1.271 30.192 29.700 -1.298 0.000 1.177 676 E HN 0.745 nan 8.360 nan 0.000 0.430 677 K N 1.800 122.062 120.400 -0.230 0.000 2.059 677 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 677 K C 1.580 178.096 176.600 -0.140 0.000 1.050 677 K CA 2.349 58.541 56.287 -0.158 0.000 0.927 677 K CB 0.044 32.467 32.500 -0.128 0.000 0.714 677 K HN 0.449 nan 8.250 nan 0.000 0.447 678 T N -1.219 113.251 114.554 -0.140 0.000 2.962 678 T HA -0.060 4.289 4.350 -0.000 0.000 0.270 678 T C 1.707 176.347 174.700 -0.100 0.000 1.088 678 T CA 0.971 63.012 62.100 -0.098 0.000 1.127 678 T CB -0.061 68.767 68.868 -0.067 0.000 0.883 678 T HN 0.251 nan 8.240 nan 0.000 0.493 679 L N 0.073 121.196 121.223 -0.167 0.000 2.693 679 L HA 0.456 4.796 4.340 -0.000 0.000 0.235 679 L C 1.859 178.630 176.870 -0.166 0.000 1.127 679 L CA 0.137 54.873 54.840 -0.174 0.000 0.914 679 L CB -0.174 41.705 42.059 -0.301 0.000 1.193 679 L HN 0.493 nan 8.230 nan 0.000 0.502 680 G N 1.470 110.176 108.800 -0.157 0.000 2.198 680 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 680 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 680 G C 0.026 174.854 174.900 -0.120 0.000 1.025 680 G CA 0.097 45.131 45.100 -0.110 0.000 0.769 680 G HN 0.243 nan 8.290 nan 0.000 0.507 681 L N -0.313 120.778 121.223 -0.219 0.000 2.307 681 L HA 0.694 5.034 4.340 -0.000 0.000 0.282 681 L C 0.170 176.964 176.870 -0.126 0.000 1.051 681 L CA -1.115 53.614 54.840 -0.185 0.000 0.804 681 L CB 2.014 43.871 42.059 -0.336 0.000 1.197 681 L HN -0.057 nan 8.230 nan 0.000 0.431 682 V N 2.081 122.001 119.914 0.011 0.000 2.482 682 V HA 0.581 4.701 4.120 -0.000 0.000 0.295 682 V C 0.258 176.442 176.094 0.149 0.000 1.026 682 V CA -0.492 61.833 62.300 0.042 0.000 0.856 682 V CB 1.700 33.541 31.823 0.030 0.000 1.001 682 V HN 0.865 nan 8.190 nan 0.000 0.424 683 G N 3.171 112.088 108.800 0.195 0.000 2.388 683 G HA2 0.830 4.790 3.960 -0.000 0.000 0.330 683 G HA3 0.830 4.790 3.960 -0.000 0.000 0.330 683 G C -0.727 174.343 174.900 0.284 0.000 1.142 683 G CA -0.270 45.037 45.100 0.346 0.000 0.908 683 G HN 1.190 nan 8.290 nan 0.000 0.473 684 A N 1.755 124.762 122.820 0.312 0.000 2.488 684 A HA 0.675 4.995 4.320 -0.000 0.000 0.295 684 A C -0.763 176.822 177.584 0.003 0.000 1.045 684 A CA -0.834 51.248 52.037 0.075 0.000 0.703 684 A CB 1.210 20.100 19.000 -0.184 0.000 1.271 684 A HN 0.675 nan 8.150 nan 0.000 0.400 685 N N 1.207 119.820 118.700 -0.145 0.000 2.446 685 N HA 0.552 5.292 4.740 -0.000 0.000 0.265 685 N C -1.640 173.528 175.510 -0.570 0.000 0.975 685 N CA -0.194 52.704 53.050 -0.253 0.000 0.928 685 N CB 1.130 39.351 38.487 -0.442 0.000 1.160 685 N HN 0.492 nan 8.380 nan 0.000 0.495 686 F N 1.196 121.058 119.950 -0.146 0.000 2.391 686 F HA 0.249 4.776 4.527 -0.000 0.000 0.359 686 F C 0.457 176.221 175.800 -0.060 0.000 1.122 686 F CA -0.792 57.163 58.000 -0.075 0.000 1.120 686 F CB 0.474 39.492 39.000 0.031 0.000 1.142 686 F HN 0.589 nan 8.300 nan 0.000 0.483 687 W N 0.980 122.416 121.300 0.226 0.000 3.139 687 W HA 0.096 4.756 4.660 -0.000 0.000 0.260 687 W C 0.790 177.428 176.519 0.200 0.000 1.312 687 W CA 0.220 57.617 57.345 0.087 0.000 1.606 687 W CB -0.018 29.336 29.460 -0.175 0.000 1.118 687 W HN 0.404 nan 8.180 nan 0.000 0.675 688 T N -4.023 110.755 114.554 0.373 0.000 2.887 688 T HA 0.261 4.611 4.350 -0.000 0.000 0.292 688 T C -0.306 174.511 174.700 0.195 0.000 1.087 688 T CA -0.850 61.408 62.100 0.263 0.000 1.009 688 T CB 2.162 71.145 68.868 0.192 0.000 1.203 688 T HN -0.272 nan 8.240 nan 0.000 0.518 689 D N 2.080 122.559 120.400 0.132 0.000 3.134 689 D HA 0.256 4.896 4.640 -0.000 0.000 0.248 689 D C 0.240 176.567 176.300 0.045 0.000 1.273 689 D CA 0.126 54.169 54.000 0.073 0.000 0.904 689 D CB -0.028 40.804 40.800 0.054 0.000 1.089 689 D HN 0.777 nan 8.370 nan 0.000 0.478 690 T N -3.168 111.420 114.554 0.057 0.000 2.909 690 T HA 0.295 4.644 4.350 -0.000 0.000 0.299 690 T C 0.153 174.868 174.700 0.025 0.000 1.073 690 T CA -0.677 61.445 62.100 0.036 0.000 0.999 690 T CB 1.884 70.782 68.868 0.050 0.000 1.098 690 T HN -0.196 nan 8.240 nan 0.000 0.477 691 T N 3.826 118.377 114.554 -0.005 0.000 2.871 691 T HA 0.244 4.594 4.350 -0.000 0.000 0.296 691 T C -0.102 174.614 174.700 0.027 0.000 0.998 691 T CA 0.275 62.359 62.100 -0.027 0.000 1.162 691 T CB -0.092 68.754 68.868 -0.038 0.000 0.947 691 T HN 0.639 nan 8.240 nan 0.000 0.536 692 Q N 1.348 121.178 119.800 0.050 0.000 2.456 692 Q HA 0.577 4.917 4.340 -0.000 0.000 0.284 692 Q C -0.950 175.192 176.000 0.237 0.000 1.061 692 Q CA -0.972 54.939 55.803 0.180 0.000 0.799 692 Q CB 2.558 31.504 28.738 0.348 0.000 1.445 692 Q HN 0.501 nan 8.270 nan 0.000 0.411 693 T N 0.728 115.426 114.554 0.240 0.000 2.881 693 T HA 0.706 5.056 4.350 -0.000 0.000 0.290 693 T C -1.469 173.341 174.700 0.184 0.000 1.000 693 T CA -0.617 61.616 62.100 0.221 0.000 0.978 693 T CB 1.462 70.387 68.868 0.095 0.000 0.997 693 T HN 0.593 nan 8.240 nan 0.000 0.443 694 A N 3.213 126.149 122.820 0.194 0.000 2.363 694 A HA 0.708 5.028 4.320 -0.000 0.000 0.296 694 A C 0.206 177.827 177.584 0.062 0.000 1.237 694 A CA -0.433 51.639 52.037 0.057 0.000 0.773 694 A CB 0.174 19.131 19.000 -0.072 0.000 1.153 694 A HN 1.015 nan 8.150 nan 0.000 0.473 695 D N 0.507 120.924 120.400 0.028 0.000 3.685 695 D HA -0.316 4.324 4.640 -0.000 0.000 0.152 695 D C 1.140 177.459 176.300 0.032 0.000 0.966 695 D CA 2.831 56.841 54.000 0.018 0.000 1.085 695 D CB -0.819 39.984 40.800 0.005 0.000 0.521 695 D HN 1.079 nan 8.370 nan 0.000 0.543 696 L N -0.460 120.782 121.223 0.032 0.000 2.554 696 L HA 0.375 4.715 4.340 -0.000 0.000 0.226 696 L C 0.635 177.528 176.870 0.039 0.000 1.137 696 L CA 0.040 54.895 54.840 0.025 0.000 0.863 696 L CB -0.282 41.786 42.059 0.015 0.000 0.985 696 L HN 0.220 nan 8.230 nan 0.000 0.451 697 I N 1.044 121.669 120.570 0.092 0.000 2.331 697 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 697 I C -0.259 175.947 176.117 0.147 0.000 0.998 697 I CA -0.055 61.324 61.300 0.131 0.000 1.267 697 I CB 1.574 39.732 38.000 0.263 0.000 1.386 697 I HN -0.030 nan 8.210 nan 0.000 0.476 698 T N 4.291 118.831 114.554 -0.024 0.000 2.841 698 T HA 0.465 4.815 4.350 -0.000 0.000 0.283 698 T C -0.566 173.911 174.700 -0.371 0.000 1.000 698 T CA -0.603 61.429 62.100 -0.113 0.000 0.977 698 T CB 1.713 70.523 68.868 -0.096 0.000 0.979 698 T HN 0.581 nan 8.240 nan 0.000 0.446 699 S N 1.045 116.376 115.700 -0.615 0.000 2.549 699 S HA 0.421 4.891 4.470 -0.000 0.000 0.280 699 S C 0.583 174.923 174.600 -0.434 0.000 1.109 699 S CA -0.835 56.930 58.200 -0.725 0.000 0.905 699 S CB 0.889 63.249 63.200 -1.399 0.000 1.081 699 S HN 0.872 nan 8.310 nan 0.000 0.477 700 N N 2.067 120.583 118.700 -0.306 0.000 2.254 700 N HA 0.283 5.023 4.740 -0.000 0.000 0.190 700 N C 0.039 175.475 175.510 -0.123 0.000 1.107 700 N CA -0.391 52.554 53.050 -0.174 0.000 0.869 700 N CB 0.348 38.749 38.487 -0.144 0.000 0.983 700 N HN 0.287 nan 8.380 nan 0.000 0.487 701 K N 0.363 120.671 120.400 -0.154 0.000 2.466 701 K HA 0.323 4.643 4.320 -0.000 0.000 0.260 701 K C -1.083 175.500 176.600 -0.029 0.000 1.011 701 K CA -0.876 55.368 56.287 -0.072 0.000 0.871 701 K CB 2.011 34.461 32.500 -0.083 0.000 1.404 701 K HN -0.099 nan 8.250 nan 0.000 0.450 702 K N 1.035 121.463 120.400 0.047 0.000 2.511 702 K HA 0.267 4.587 4.320 -0.000 0.000 0.280 702 K C -0.641 175.933 176.600 -0.044 0.000 1.008 702 K CA 0.230 56.592 56.287 0.124 0.000 1.050 702 K CB 0.460 33.012 32.500 0.088 0.000 0.889 702 K HN 0.604 nan 8.250 nan 0.000 0.484 703 A N 1.724 124.581 122.820 0.061 0.000 2.586 703 A HA 0.456 4.776 4.320 -0.000 0.000 0.291 703 A C -1.407 176.275 177.584 0.163 0.000 1.062 703 A CA -0.722 51.305 52.037 -0.018 0.000 0.666 703 A CB 1.903 20.893 19.000 -0.017 0.000 1.281 703 A HN 0.439 nan 8.150 nan 0.000 0.421 704 S N 0.065 115.808 115.700 0.072 0.000 2.498 704 S HA 0.705 5.175 4.470 -0.000 0.000 0.317 704 S C -1.161 173.565 174.600 0.209 0.000 1.090 704 S CA -0.373 57.930 58.200 0.172 0.000 1.089 704 S CB 0.734 63.991 63.200 0.095 0.000 0.997 704 S HN 1.314 nan 8.310 nan 0.000 0.470 705 V N 5.978 126.061 119.914 0.282 0.000 2.789 705 V HA 0.655 4.775 4.120 -0.000 0.000 0.311 705 V C -0.445 175.814 176.094 0.276 0.000 1.073 705 V CA -0.725 61.747 62.300 0.287 0.000 0.921 705 V CB 1.946 33.978 31.823 0.349 0.000 1.009 705 V HN 0.948 nan 8.190 nan 0.000 0.426 706 M N 4.064 123.817 119.600 0.256 0.000 2.324 706 M HA 0.694 5.174 4.480 -0.000 0.000 0.288 706 M C -0.702 175.740 176.300 0.236 0.000 1.097 706 M CA -0.064 55.384 55.300 0.247 0.000 0.928 706 M CB 2.399 35.143 32.600 0.239 0.000 1.648 706 M HN 0.905 nan 8.290 nan 0.000 0.460 707 T N 1.112 115.786 114.554 0.200 0.000 2.924 707 T HA 0.722 5.072 4.350 -0.000 0.000 0.291 707 T C -0.985 173.796 174.700 0.135 0.000 1.045 707 T CA -0.935 61.272 62.100 0.180 0.000 1.015 707 T CB 2.014 70.972 68.868 0.151 0.000 1.103 707 T HN 0.844 nan 8.240 nan 0.000 0.496 708 R N 0.918 121.500 120.500 0.137 0.000 2.483 708 R HA 0.415 4.755 4.340 -0.000 0.000 0.303 708 R C -1.065 175.287 176.300 0.087 0.000 0.987 708 R CA -0.474 55.681 56.100 0.090 0.000 0.881 708 R CB 1.367 31.741 30.300 0.122 0.000 1.177 708 R HN 0.904 nan 8.270 nan 0.000 0.451 709 E N 6.186 126.414 120.200 0.047 0.000 2.133 709 E HA 0.227 4.577 4.350 -0.000 0.000 0.274 709 E C -0.656 175.964 176.600 0.033 0.000 0.930 709 E CA -0.738 55.690 56.400 0.047 0.000 0.770 709 E CB 0.919 30.636 29.700 0.029 0.000 1.104 709 E HN 0.443 nan 8.360 nan 0.000 0.403 710 I N 4.021 124.619 120.570 0.047 0.000 2.306 710 I HA 0.226 4.396 4.170 -0.000 0.000 0.288 710 I C 0.548 176.684 176.117 0.032 0.000 1.036 710 I CA -0.679 60.644 61.300 0.037 0.000 1.221 710 I CB 0.151 38.180 38.000 0.048 0.000 1.385 710 I HN 0.665 nan 8.210 nan 0.000 0.472 711 A N 5.889 128.720 122.820 0.019 0.000 2.602 711 A HA -0.125 4.195 4.320 -0.000 0.000 0.257 711 A C 1.002 178.598 177.584 0.021 0.000 0.973 711 A CA 0.517 52.564 52.037 0.015 0.000 0.862 711 A CB -0.431 18.573 19.000 0.007 0.000 0.855 711 A HN 0.848 nan 8.150 nan 0.000 0.492 712 D N 1.321 121.734 120.400 0.022 0.000 2.997 712 D HA -0.192 4.448 4.640 -0.000 0.000 0.226 712 D C 0.827 177.145 176.300 0.031 0.000 1.189 712 D CA 1.994 56.008 54.000 0.024 0.000 0.834 712 D CB -0.633 40.178 40.800 0.018 0.000 1.105 712 D HN 0.910 nan 8.370 nan 0.000 0.415 713 E N -1.037 119.186 120.200 0.039 0.000 2.629 713 E HA 0.120 4.470 4.350 -0.000 0.000 0.197 713 E C 0.924 177.560 176.600 0.060 0.000 0.955 713 E CA 0.061 56.487 56.400 0.044 0.000 1.191 713 E CB 1.105 30.828 29.700 0.039 0.000 1.175 713 E HN 0.373 nan 8.360 nan 0.000 0.501 714 R N -0.030 120.513 120.500 0.071 0.000 2.712 714 R HA 0.536 4.876 4.340 -0.000 0.000 0.272 714 R C -2.013 174.356 176.300 0.116 0.000 1.032 714 R CA -0.817 55.343 56.100 0.100 0.000 0.874 714 R CB 0.900 31.255 30.300 0.091 0.000 1.256 714 R HN 0.005 nan 8.270 nan 0.000 0.468 715 L N 0.956 122.281 121.223 0.169 0.000 2.404 715 L HA 0.496 4.836 4.340 -0.000 0.000 0.272 715 L C -0.901 176.116 176.870 0.245 0.000 0.980 715 L CA -0.159 54.788 54.840 0.180 0.000 0.836 715 L CB 2.068 44.217 42.059 0.151 0.000 1.238 715 L HN 0.746 nan 8.230 nan 0.000 0.408 716 E N 3.078 123.398 120.200 0.200 0.000 2.283 716 E HA 0.823 5.173 4.350 -0.000 0.000 0.271 716 E C -1.053 175.677 176.600 0.218 0.000 1.031 716 E CA -0.728 55.792 56.400 0.200 0.000 0.868 716 E CB 1.731 31.609 29.700 0.296 0.000 1.094 716 E HN 0.742 nan 8.360 nan 0.000 0.401 717 A N 1.635 124.547 122.820 0.153 0.000 2.517 717 A HA 0.543 4.863 4.320 -0.000 0.000 0.297 717 A C -1.113 176.612 177.584 0.235 0.000 1.050 717 A CA -0.607 51.569 52.037 0.231 0.000 0.694 717 A CB 1.876 21.064 19.000 0.313 0.000 1.277 717 A HN 0.402 nan 8.150 nan 0.000 0.400 718 S N 0.251 116.136 115.700 0.307 0.000 2.521 718 S HA 0.768 5.237 4.470 -0.000 0.000 0.295 718 S C -0.823 173.954 174.600 0.294 0.000 1.098 718 S CA -0.472 57.918 58.200 0.318 0.000 0.999 718 S CB 1.706 65.088 63.200 0.304 0.000 1.034 718 S HN 0.904 nan 8.310 nan 0.000 0.483 719 V N 2.576 122.679 119.914 0.315 0.000 2.841 719 V HA 0.849 4.969 4.120 -0.000 0.000 0.310 719 V C -0.470 175.800 176.094 0.295 0.000 1.090 719 V CA -0.679 61.788 62.300 0.279 0.000 0.930 719 V CB 2.140 34.130 31.823 0.278 0.000 1.014 719 V HN 0.962 nan 8.190 nan 0.000 0.425 720 S N 1.141 116.949 115.700 0.180 0.000 2.588 720 S HA 0.672 5.142 4.470 -0.000 0.000 0.275 720 S C -1.470 173.126 174.600 -0.008 0.000 1.130 720 S CA -0.742 57.545 58.200 0.147 0.000 0.855 720 S CB 2.209 65.461 63.200 0.087 0.000 1.116 720 S HN 0.769 nan 8.310 nan 0.000 0.472 721 D N 1.344 121.725 120.400 -0.032 0.000 2.473 721 D HA 0.515 5.155 4.640 -0.000 0.000 0.226 721 D C -1.891 174.259 176.300 -0.250 0.000 1.089 721 D CA -2.339 51.561 54.000 -0.168 0.000 0.883 721 D CB 1.558 42.303 40.800 -0.092 0.000 1.029 721 D HN 0.213 nan 8.370 nan 0.000 0.517 722 P HA -0.096 nan 4.420 nan 0.000 0.221 722 P C 1.362 178.458 177.300 -0.340 0.000 1.150 722 P CA 1.101 63.904 63.100 -0.495 0.000 0.800 722 P CB 0.055 31.137 31.700 -1.029 0.000 0.787 723 T N -3.179 111.142 114.554 -0.388 0.000 2.881 723 T HA -0.202 4.148 4.350 -0.000 0.000 0.270 723 T C 1.246 175.896 174.700 -0.085 0.000 1.068 723 T CA 0.782 62.781 62.100 -0.169 0.000 1.131 723 T CB -1.165 67.623 68.868 -0.133 0.000 0.871 723 T HN 0.198 nan 8.240 nan 0.000 0.479 724 Q N -0.467 119.278 119.800 -0.092 0.000 2.468 724 Q HA -0.248 4.091 4.340 -0.000 0.000 0.256 724 Q C 1.015 177.004 176.000 -0.020 0.000 0.984 724 Q CA 0.574 56.355 55.803 -0.037 0.000 1.110 724 Q CB -1.974 26.752 28.738 -0.020 0.000 1.527 724 Q HN 0.838 nan 8.270 nan 0.000 0.535 725 A N -0.217 122.585 122.820 -0.031 0.000 2.456 725 A HA 0.104 4.424 4.320 -0.000 0.000 0.237 725 A C 0.368 177.942 177.584 -0.017 0.000 1.217 725 A CA -0.192 51.837 52.037 -0.014 0.000 0.962 725 A CB 0.487 19.485 19.000 -0.005 0.000 1.079 725 A HN 0.260 nan 8.150 nan 0.000 0.536 726 N N 1.445 120.125 118.700 -0.033 0.000 2.452 726 N HA 0.082 4.822 4.740 -0.000 0.000 0.266 726 N C -0.096 175.399 175.510 -0.025 0.000 1.175 726 N CA 0.299 53.328 53.050 -0.035 0.000 0.945 726 N CB 0.161 38.613 38.487 -0.058 0.000 1.063 726 N HN 0.431 nan 8.380 nan 0.000 0.472 727 N N 1.384 120.072 118.700 -0.020 0.000 2.270 727 N HA 0.122 4.862 4.740 -0.000 0.000 0.198 727 N C 0.766 176.263 175.510 -0.023 0.000 1.117 727 N CA -0.333 52.709 53.050 -0.014 0.000 0.845 727 N CB 0.686 39.168 38.487 -0.007 0.000 0.980 727 N HN 0.568 nan 8.380 nan 0.000 0.486 728 G N 0.061 108.839 108.800 -0.037 0.000 3.054 728 G HA2 0.300 4.260 3.960 -0.000 0.000 0.201 728 G HA3 0.300 4.260 3.960 -0.000 0.000 0.201 728 G C -0.122 174.735 174.900 -0.071 0.000 1.694 728 G CA 0.071 45.143 45.100 -0.046 0.000 0.742 728 G HN 0.193 nan 8.290 nan 0.000 0.790 729 T N -2.194 112.310 114.554 -0.083 0.000 2.864 729 T HA 0.736 5.085 4.350 -0.000 0.000 0.289 729 T C -1.061 173.565 174.700 -0.124 0.000 1.082 729 T CA -0.660 61.372 62.100 -0.113 0.000 1.009 729 T CB 1.941 70.745 68.868 -0.107 0.000 1.234 729 T HN 0.280 nan 8.240 nan 0.000 0.526 730 I N 1.205 121.684 120.570 -0.152 0.000 2.418 730 I HA 0.565 4.735 4.170 -0.000 0.000 0.287 730 I C 0.041 176.024 176.117 -0.224 0.000 1.008 730 I CA -1.208 59.988 61.300 -0.175 0.000 1.104 730 I CB 1.651 39.552 38.000 -0.166 0.000 1.264 730 I HN 0.963 nan 8.210 nan 0.000 0.438 731 A N 8.225 130.900 122.820 -0.243 0.000 2.269 731 A HA 0.699 5.019 4.320 -0.000 0.000 0.302 731 A C -0.485 176.851 177.584 -0.412 0.000 1.266 731 A CA -0.306 51.554 52.037 -0.295 0.000 0.894 731 A CB 0.233 19.104 19.000 -0.215 0.000 1.147 731 A HN 0.524 nan 8.150 nan 0.000 0.537 732 I N 1.531 121.717 120.570 -0.640 0.000 2.603 732 I HA 0.505 4.675 4.170 -0.000 0.000 0.300 732 I C 0.085 175.803 176.117 -0.664 0.000 1.017 732 I CA -0.343 60.522 61.300 -0.725 0.000 1.098 732 I CB 1.831 39.216 38.000 -1.024 0.000 1.279 732 I HN 0.864 nan 8.210 nan 0.000 0.437 733 E N 5.635 125.592 120.200 -0.404 0.000 2.293 733 E HA 0.649 4.999 4.350 -0.000 0.000 0.270 733 E C -1.916 174.580 176.600 -0.173 0.000 0.879 733 E CA -0.598 55.644 56.400 -0.265 0.000 0.756 733 E CB 2.316 31.903 29.700 -0.189 0.000 1.208 733 E HN 0.471 nan 8.360 nan 0.000 0.428 734 L N 2.877 124.016 121.223 -0.141 0.000 2.356 734 L HA 0.566 4.906 4.340 -0.000 0.000 0.277 734 L C 0.053 176.871 176.870 -0.088 0.000 0.996 734 L CA -1.035 53.748 54.840 -0.095 0.000 0.822 734 L CB 1.894 43.886 42.059 -0.113 0.000 1.256 734 L HN 0.702 nan 8.230 nan 0.000 0.413 735 A N 4.093 126.883 122.820 -0.051 0.000 3.004 735 A HA 0.334 4.653 4.320 -0.000 0.000 0.252 735 A C 0.112 177.674 177.584 -0.037 0.000 1.802 735 A CA -0.022 51.991 52.037 -0.040 0.000 1.424 735 A CB -0.809 18.178 19.000 -0.022 0.000 1.005 735 A HN 0.584 nan 8.150 nan 0.000 0.631 736 R N -0.424 120.043 120.500 -0.054 0.000 2.643 736 R HA 0.399 4.739 4.340 -0.000 0.000 0.269 736 R C -1.088 175.182 176.300 -0.050 0.000 1.037 736 R CA -0.484 55.592 56.100 -0.041 0.000 0.894 736 R CB 1.485 31.765 30.300 -0.033 0.000 1.238 736 R HN 0.280 nan 8.270 nan 0.000 0.459 737 S N 0.584 116.272 115.700 -0.021 0.000 2.457 737 S HA 0.729 5.199 4.470 -0.000 0.000 0.289 737 S C -0.522 174.088 174.600 0.016 0.000 1.163 737 S CA -0.331 57.863 58.200 -0.010 0.000 1.078 737 S CB 0.785 63.986 63.200 0.001 0.000 0.987 737 S HN 0.617 nan 8.310 nan 0.000 0.482 738 A N 3.767 126.607 122.820 0.033 0.000 2.311 738 A HA 0.707 5.027 4.320 -0.000 0.000 0.334 738 A C 0.616 178.266 177.584 0.111 0.000 1.139 738 A CA -0.533 51.565 52.037 0.102 0.000 0.830 738 A CB 0.718 19.831 19.000 0.189 0.000 1.234 738 A HN 0.825 nan 8.150 nan 0.000 0.483 739 E N 0.145 120.421 120.200 0.126 0.000 2.244 739 E HA 0.250 4.600 4.350 -0.000 0.000 0.196 739 E C 0.856 177.535 176.600 0.132 0.000 0.939 739 E CA 1.133 57.594 56.400 0.103 0.000 0.884 739 E CB 0.683 30.427 29.700 0.074 0.000 0.850 739 E HN 0.848 nan 8.360 nan 0.000 0.481 740 G N -0.130 108.775 108.800 0.174 0.000 2.600 740 G HA2 0.493 4.453 3.960 -0.000 0.000 0.293 740 G HA3 0.493 4.453 3.960 -0.000 0.000 0.293 740 G C -1.706 173.339 174.900 0.242 0.000 1.408 740 G CA -0.343 44.866 45.100 0.183 0.000 0.782 740 G HN 0.082 nan 8.290 nan 0.000 0.482 741 Y N -2.063 118.200 120.300 -0.062 0.000 2.895 741 Y HA 0.827 5.377 4.550 -0.000 0.000 0.339 741 Y C -0.610 175.148 175.900 -0.238 0.000 1.363 741 Y CA -1.044 56.908 58.100 -0.246 0.000 1.085 741 Y CB 1.036 39.209 38.460 -0.478 0.000 1.500 741 Y HN 1.585 nan 8.280 nan 0.000 0.442 742 S N 1.068 116.463 115.700 -0.508 0.000 2.537 742 S HA 0.978 5.448 4.470 -0.000 0.000 0.271 742 S C -1.447 173.037 174.600 -0.192 0.000 1.148 742 S CA -0.085 57.866 58.200 -0.416 0.000 0.868 742 S CB 1.432 64.470 63.200 -0.270 0.000 1.115 742 S HN 2.103 nan 8.310 nan 0.000 0.461 743 A N 1.531 124.301 122.820 -0.084 0.000 2.609 743 A HA 0.763 5.083 4.320 -0.000 0.000 0.291 743 A C -1.501 176.087 177.584 0.005 0.000 1.096 743 A CA -0.827 51.163 52.037 -0.079 0.000 0.684 743 A CB 0.908 19.853 19.000 -0.091 0.000 1.282 743 A HN 0.766 nan 8.150 nan 0.000 0.412 744 D N 2.078 122.508 120.400 0.050 0.000 2.382 744 D HA 0.375 5.015 4.640 -0.000 0.000 0.240 744 D C -2.086 174.299 176.300 0.141 0.000 1.146 744 D CA -0.427 53.640 54.000 0.111 0.000 0.897 744 D CB 0.336 41.239 40.800 0.171 0.000 1.197 744 D HN 0.309 nan 8.370 nan 0.000 0.432 745 P HA 0.133 nan 4.420 nan 0.000 0.268 745 P C 0.726 178.154 177.300 0.213 0.000 1.205 745 P CA 0.051 63.229 63.100 0.131 0.000 0.771 745 P CB 0.986 32.746 31.700 0.100 0.000 0.858 746 G N 2.103 110.982 108.800 0.131 0.000 2.278 746 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.210 746 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.210 746 G C 0.003 174.871 174.900 -0.053 0.000 1.000 746 G CA -0.396 44.739 45.100 0.059 0.000 0.635 746 G HN 0.490 nan 8.290 nan 0.000 0.495 747 I N 2.248 122.836 120.570 0.030 0.000 2.353 747 I HA 0.508 4.678 4.170 -0.000 0.000 0.293 747 I C -0.250 175.895 176.117 0.047 0.000 0.992 747 I CA -0.348 60.970 61.300 0.029 0.000 1.268 747 I CB 1.916 39.925 38.000 0.015 0.000 1.387 747 I HN 0.021 nan 8.210 nan 0.000 0.478 748 T N 5.561 120.156 114.554 0.068 0.000 2.809 748 T HA 0.341 4.691 4.350 -0.000 0.000 0.284 748 T C -0.290 174.449 174.700 0.065 0.000 0.992 748 T CA -0.424 61.709 62.100 0.054 0.000 0.957 748 T CB 1.591 70.482 68.868 0.037 0.000 0.942 748 T HN 0.130 nan 8.240 nan 0.000 0.439 749 V N 4.264 124.155 119.914 -0.038 0.000 2.432 749 V HA 0.266 4.386 4.120 -0.000 0.000 0.271 749 V C 1.603 177.674 176.094 -0.039 0.000 1.046 749 V CA -0.098 62.144 62.300 -0.097 0.000 0.945 749 V CB 1.065 32.539 31.823 -0.582 0.000 0.992 749 V HN 1.141 nan 8.190 nan 0.000 0.471 750 T N 1.044 115.600 114.554 0.004 0.000 3.022 750 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 750 T C 0.350 175.045 174.700 -0.008 0.000 1.060 750 T CA 0.062 62.160 62.100 -0.003 0.000 1.013 750 T CB 0.357 69.219 68.868 -0.009 0.000 0.982 750 T HN 0.569 nan 8.240 nan 0.000 0.508 751 Q N -0.503 119.289 119.800 -0.014 0.000 2.479 751 Q HA 0.499 4.839 4.340 -0.000 0.000 0.276 751 Q C -1.073 174.917 176.000 -0.017 0.000 0.989 751 Q CA -0.557 55.238 55.803 -0.013 0.000 0.864 751 Q CB 1.864 30.587 28.738 -0.025 0.000 1.444 751 Q HN 0.232 nan 8.270 nan 0.000 0.388 752 L N 0.383 121.609 121.223 0.005 0.000 2.803 752 L HA 0.662 5.002 4.340 -0.000 0.000 0.246 752 L C 0.074 176.946 176.870 0.005 0.000 1.100 752 L CA 0.295 55.147 54.840 0.021 0.000 0.919 752 L CB 1.387 43.503 42.059 0.095 0.000 1.285 752 L HN 0.589 nan 8.230 nan 0.000 0.522 753 A N -0.265 122.557 122.820 0.004 0.000 2.574 753 A HA 0.597 4.917 4.320 -0.000 0.000 0.297 753 A C -2.150 175.430 177.584 -0.006 0.000 1.062 753 A CA -0.713 51.324 52.037 -0.001 0.000 0.686 753 A CB 0.789 19.797 19.000 0.014 0.000 1.285 753 A HN -0.112 nan 8.150 nan 0.000 0.403 754 P HA -0.014 nan 4.420 nan 0.000 0.225 754 P C 0.575 177.859 177.300 -0.026 0.000 1.148 754 P CA 1.741 64.833 63.100 -0.014 0.000 0.779 754 P CB 0.019 31.710 31.700 -0.014 0.000 0.780 755 T N -3.034 111.497 114.554 -0.039 0.000 2.901 755 T HA 0.594 4.944 4.350 -0.000 0.000 0.293 755 T C -0.165 174.482 174.700 -0.088 0.000 1.084 755 T CA -0.961 61.102 62.100 -0.062 0.000 1.008 755 T CB 1.481 70.310 68.868 -0.064 0.000 1.170 755 T HN -0.161 nan 8.240 nan 0.000 0.509 756 I N 1.661 122.145 120.570 -0.143 0.000 2.416 756 I HA 0.380 4.549 4.170 -0.000 0.000 0.288 756 I C 0.270 176.299 176.117 -0.146 0.000 1.051 756 I CA -0.363 60.809 61.300 -0.214 0.000 1.375 756 I CB 0.727 38.428 38.000 -0.498 0.000 1.407 756 I HN 0.474 nan 8.210 nan 0.000 0.516 757 K N 7.528 127.885 120.400 -0.071 0.000 2.482 757 K HA 0.657 4.977 4.320 -0.000 0.000 0.251 757 K C -1.244 175.395 176.600 0.066 0.000 0.936 757 K CA -0.611 55.629 56.287 -0.078 0.000 0.791 757 K CB 2.412 34.858 32.500 -0.090 0.000 1.213 757 K HN 0.495 nan 8.250 nan 0.000 0.428 758 F N -1.716 118.169 119.950 -0.109 0.000 2.693 758 F HA 0.550 5.077 4.527 -0.000 0.000 0.309 758 F C -0.779 174.972 175.800 -0.082 0.000 1.129 758 F CA -1.004 56.949 58.000 -0.079 0.000 0.948 758 F CB 1.205 40.191 39.000 -0.022 0.000 1.315 758 F HN 0.390 nan 8.300 nan 0.000 0.447 759 T N -0.471 114.132 114.554 0.080 0.000 2.940 759 T HA 0.817 5.167 4.350 -0.000 0.000 0.288 759 T C -1.258 173.474 174.700 0.053 0.000 1.033 759 T CA -0.894 61.181 62.100 -0.042 0.000 1.033 759 T CB 1.783 70.614 68.868 -0.062 0.000 1.079 759 T HN 0.754 nan 8.240 nan 0.000 0.496 760 V N 2.667 122.536 119.914 -0.074 0.000 2.407 760 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 760 V C -0.464 175.437 176.094 -0.321 0.000 1.018 760 V CA -1.184 60.992 62.300 -0.206 0.000 0.842 760 V CB 1.354 33.045 31.823 -0.220 0.000 0.996 760 V HN 0.877 nan 8.190 nan 0.000 0.426 761 N N 3.667 122.154 118.700 -0.355 0.000 2.399 761 N HA 0.104 4.844 4.740 -0.000 0.000 0.259 761 N C 0.716 176.016 175.510 -0.351 0.000 1.160 761 N CA 0.021 52.917 53.050 -0.256 0.000 0.946 761 N CB 1.795 40.198 38.487 -0.140 0.000 1.156 761 N HN 0.705 nan 8.380 nan 0.000 0.489 762 V N -0.338 119.446 119.914 -0.215 0.000 3.483 762 V HA 0.193 4.313 4.120 -0.000 0.000 0.301 762 V C 0.671 176.772 176.094 0.011 0.000 1.389 762 V CA -0.708 61.537 62.300 -0.091 0.000 1.101 762 V CB -0.732 31.047 31.823 -0.074 0.000 0.971 762 V HN 0.335 nan 8.190 nan 0.000 0.434 763 N N 2.587 121.284 118.700 -0.005 0.000 2.434 763 N HA 0.367 5.107 4.740 -0.000 0.000 0.268 763 N C 1.367 176.906 175.510 0.049 0.000 1.256 763 N CA 1.551 54.610 53.050 0.015 0.000 0.914 763 N CB 0.246 38.737 38.487 0.005 0.000 1.088 763 N HN 0.730 nan 8.380 nan 0.000 0.478 764 G N 2.229 111.058 108.800 0.049 0.000 2.155 764 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 764 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 764 G C 0.925 175.878 174.900 0.088 0.000 0.983 764 G CA 0.556 45.693 45.100 0.061 0.000 0.676 764 G HN 0.921 nan 8.290 nan 0.000 0.528 765 A N -0.235 122.660 122.820 0.126 0.000 2.121 765 A HA 0.325 4.645 4.320 -0.000 0.000 0.218 765 A C 1.838 179.475 177.584 0.089 0.000 1.154 765 A CA 1.948 54.093 52.037 0.181 0.000 0.679 765 A CB -0.231 18.994 19.000 0.375 0.000 0.795 765 A HN 1.095 nan 8.150 nan 0.000 0.458 766 K N -2.239 118.200 120.400 0.064 0.000 3.077 766 K HA -0.224 4.096 4.320 -0.000 0.000 0.264 766 K C 0.816 177.425 176.600 0.015 0.000 1.008 766 K CA 1.030 57.340 56.287 0.038 0.000 0.740 766 K CB -2.560 29.972 32.500 0.053 0.000 1.273 766 K HN 1.686 nan 8.250 nan 0.000 0.477 767 G N -0.019 108.791 108.800 0.015 0.000 2.148 767 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.254 767 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.254 767 G C 0.146 175.042 174.900 -0.007 0.000 0.981 767 G CA 1.047 46.143 45.100 -0.007 0.000 0.670 767 G HN 0.657 nan 8.290 nan 0.000 0.528 768 K N -0.126 120.260 120.400 -0.024 0.000 2.168 768 K HA 0.659 4.979 4.320 -0.000 0.000 0.258 768 K C -0.076 176.445 176.600 -0.132 0.000 1.010 768 K CA -0.260 55.951 56.287 -0.126 0.000 0.929 768 K CB 1.090 33.434 32.500 -0.259 0.000 0.998 768 K HN 0.046 nan 8.250 nan 0.000 0.479 769 S N 1.123 116.734 115.700 -0.149 0.000 2.508 769 S HA 0.434 4.904 4.470 -0.000 0.000 0.284 769 S C -0.997 173.506 174.600 -0.162 0.000 1.192 769 S CA -0.737 57.453 58.200 -0.016 0.000 1.070 769 S CB 0.146 63.387 63.200 0.069 0.000 1.004 769 S HN 0.402 nan 8.310 nan 0.000 0.493 770 F N 1.901 121.915 119.950 0.105 0.000 2.436 770 F HA 0.379 4.906 4.527 -0.000 0.000 0.340 770 F C 0.434 176.323 175.800 0.147 0.000 1.113 770 F CA -0.764 57.301 58.000 0.109 0.000 1.022 770 F CB 0.970 40.025 39.000 0.093 0.000 1.128 770 F HN 0.573 nan 8.300 nan 0.000 0.466 771 H N 1.749 120.909 119.070 0.150 0.000 2.499 771 H HA 0.833 5.389 4.556 -0.000 0.000 0.340 771 H C -1.313 174.017 175.328 0.004 0.000 1.148 771 H CA -0.677 55.420 56.048 0.082 0.000 1.215 771 H CB 1.449 31.238 29.762 0.044 0.000 1.529 771 H HN 0.783 nan 8.280 nan 0.000 0.510 772 A N 3.019 125.391 122.820 -0.746 0.000 2.486 772 A HA 0.548 4.868 4.320 -0.000 0.000 0.300 772 A C -1.230 175.846 177.584 -0.847 0.000 1.048 772 A CA -0.492 51.108 52.037 -0.727 0.000 0.696 772 A CB 1.579 20.166 19.000 -0.689 0.000 1.278 772 A HN 0.610 nan 8.150 nan 0.000 0.405 773 S N 1.143 116.403 115.700 -0.734 0.000 2.605 773 S HA 0.770 5.240 4.470 -0.000 0.000 0.308 773 S C -1.486 172.829 174.600 -0.476 0.000 1.113 773 S CA -0.337 57.621 58.200 -0.403 0.000 1.049 773 S CB -0.011 63.098 63.200 -0.151 0.000 1.001 773 S HN 0.453 nan 8.310 nan 0.000 0.480 774 F N 2.901 122.851 119.950 -0.001 0.000 2.436 774 F HA 0.461 4.988 4.527 -0.000 0.000 0.340 774 F C 0.582 176.411 175.800 0.047 0.000 1.113 774 F CA -0.713 57.317 58.000 0.051 0.000 1.022 774 F CB 1.532 40.552 39.000 0.034 0.000 1.128 774 F HN 0.505 nan 8.300 nan 0.000 0.466 775 Q N 4.258 124.176 119.800 0.197 0.000 2.307 775 Q HA 0.380 4.720 4.340 -0.000 0.000 0.259 775 Q C -1.009 175.074 176.000 0.140 0.000 0.998 775 Q CA -0.337 55.542 55.803 0.126 0.000 0.923 775 Q CB 0.629 29.414 28.738 0.078 0.000 1.196 775 Q HN 0.702 nan 8.270 nan 0.000 0.416 776 L N 3.408 124.697 121.223 0.110 0.000 2.418 776 L HA 0.711 5.051 4.340 -0.000 0.000 0.265 776 L C 0.688 177.595 176.870 0.062 0.000 1.143 776 L CA 0.095 54.986 54.840 0.085 0.000 0.809 776 L CB 1.123 43.223 42.059 0.068 0.000 1.124 776 L HN 0.935 nan 8.230 nan 0.000 0.456 777 G N 0.000 108.830 108.800 0.050 0.000 5.446 777 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 777 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 777 G CA 0.000 45.123 45.100 0.039 0.000 0.502 777 G HN 0.000 nan 8.290 nan 0.000 0.925