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 3k5n_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAQAGFILTR HWRDTPQGTE VSFWLATDNG PLQVTLAPQE SVAFIPADQV DATA SEQUENCE PRAQHILQGE QGFRLTPLAL KDFHRQPVYG LYCRAHRQLM NYEKRLREGG DATA SEQUENCE VTVYEADVRP PERYLMERFI TSPVWVEGDM HNGTIVNARL KPHPDYRPPL DATA SEQUENCE KWVSIDIETT RHGELYCIGL EGCGQRIVYM LGPENGDASS LDFELEYVAS DATA SEQUENCE RPQLLEKLNA WFANYDPDVI IGWNVVQFDL RMLQKHAERY RLPLRLGRDN DATA SEQUENCE SELEWXXXXX XXXXFFAQAK GRLIIDGIEA LKSAFWNFSS FSLETVAQEL DATA SEQUENCE LGEGXXXXXX WDRMDEIDRR FAEDKPALAT YNLKNCELVT QIFHKTEIMP DATA SEQUENCE FLLERATVNG LPVDRHGGSV AAFGHLYFPR MHRAGYVAPN LGEVPPHASP DATA SEQUENCE GGYVMDSRPG LYDSVLVLDY KSLYPSIIRT FLIDPVGLVE GMAQPDPEHS DATA SEQUENCE TEGFLDAWFS REKHCLPEIV TNIWHGRDEA KRQGNKPLSQ ALKIIMNAFY DATA SEQUENCE GVLGTTACRF FDPRLASSIT MRGHQIMRQT KALIEAQGYD VIYGDTDSTF DATA SEQUENCE VWLKGAHSEE EAAKIGRALV QHVNAWWAET LQKQRLTSAL ELEYETHFCR DATA SEQUENCE FLMPTXXXXX XXXXKRYAGL IQEGDKQRMV FKGLETVRTD WTPLAQQFQQ DATA SEQUENCE ELYLRIFRNE PYQEYVRETI DKLMAGELDA RLVYRKRLRR PLSEYQRNVP DATA SEQUENCE PHVRAARLAD EENQKRGRPL QYQNRGTIKY VWTTNGPEPL DYQRSPLDYE DATA SEQUENCE HYLTRQLQPV AEGILPFIED NFATLMTGQL GLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.342 176.300 0.069 0.000 1.140 1 M CA 0.000 55.326 55.300 0.043 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 A N 2.626 125.486 122.820 0.066 0.000 2.492 2 A HA 0.558 4.971 4.320 0.155 0.000 0.254 2 A C -0.244 177.489 177.584 0.248 0.000 1.091 2 A CA 0.311 52.428 52.037 0.134 0.000 0.768 2 A CB 0.637 19.649 19.000 0.020 0.000 1.028 2 A HN 0.858 nan 8.150 nan 0.000 0.498 3 Q N 1.454 121.448 119.800 0.323 0.000 2.345 3 Q HA 0.591 5.024 4.340 0.155 0.000 0.275 3 Q C -0.744 175.321 176.000 0.108 0.000 1.063 3 Q CA -0.667 55.281 55.803 0.241 0.000 0.819 3 Q CB 2.053 30.856 28.738 0.109 0.000 1.356 3 Q HN 1.055 nan 8.270 nan 0.000 0.418 4 A N 1.553 124.228 122.820 -0.242 0.000 2.340 4 A HA 0.841 5.254 4.320 0.155 0.000 0.268 4 A C 0.048 177.180 177.584 -0.754 0.000 1.100 4 A CA 0.628 52.170 52.037 -0.825 0.000 0.803 4 A CB 0.782 18.894 19.000 -1.479 0.000 1.043 4 A HN 0.799 nan 8.150 nan 0.000 0.488 5 G N -0.844 107.585 108.800 -0.618 0.000 2.663 5 G HA2 0.570 4.623 3.960 0.155 0.000 0.299 5 G HA3 0.570 4.623 3.960 0.155 0.000 0.299 5 G C -1.812 173.232 174.900 0.240 0.000 1.372 5 G CA -0.446 44.595 45.100 -0.097 0.000 0.781 5 G HN 0.767 nan 8.290 nan 0.000 0.491 6 F N 0.128 120.191 119.950 0.188 0.000 2.547 6 F HA 0.660 5.280 4.527 0.156 0.000 0.316 6 F C -0.175 175.683 175.800 0.097 0.000 1.121 6 F CA -0.952 57.133 58.000 0.142 0.000 0.911 6 F CB 1.775 40.850 39.000 0.125 0.000 1.179 6 F HN 0.330 nan 8.300 nan 0.000 0.443 7 I N 7.037 127.471 120.570 -0.227 0.000 2.471 7 I HA 0.078 4.341 4.170 0.155 0.000 0.286 7 I C 0.619 176.793 176.117 0.094 0.000 1.079 7 I CA 0.313 61.575 61.300 -0.065 0.000 1.398 7 I CB 0.960 38.828 38.000 -0.220 0.000 1.403 7 I HN 0.732 nan 8.210 nan 0.000 0.530 8 L N 4.570 125.935 121.223 0.237 0.000 2.316 8 L HA 0.161 4.594 4.340 0.155 0.000 0.207 8 L C 0.741 177.722 176.870 0.184 0.000 1.070 8 L CA 0.593 55.586 54.840 0.254 0.000 0.820 8 L CB 0.166 42.399 42.059 0.290 0.000 0.992 8 L HN 0.748 nan 8.230 nan 0.000 0.466 9 T N -1.754 112.932 114.554 0.220 0.000 2.932 9 T HA 0.514 4.957 4.350 0.155 0.000 0.318 9 T C -0.811 173.897 174.700 0.012 0.000 1.265 9 T CA -0.858 61.281 62.100 0.065 0.000 1.036 9 T CB 2.353 71.238 68.868 0.027 0.000 1.209 9 T HN -0.000 nan 8.240 nan 0.000 0.484 10 R N 1.445 121.840 120.500 -0.175 0.000 2.514 10 R HA 0.738 5.172 4.340 0.155 0.000 0.301 10 R C -0.889 175.136 176.300 -0.460 0.000 0.962 10 R CA -0.805 55.233 56.100 -0.102 0.000 0.882 10 R CB 1.273 31.654 30.300 0.134 0.000 1.143 10 R HN 0.744 nan 8.270 nan 0.000 0.452 11 H N 1.169 120.228 119.070 -0.018 0.000 2.895 11 H HA 0.528 5.177 4.556 0.155 0.000 0.373 11 H C -1.087 174.242 175.328 0.002 0.000 1.174 11 H CA -0.824 55.217 56.048 -0.012 0.000 1.144 11 H CB 1.982 31.736 29.762 -0.013 0.000 1.793 11 H HN 0.662 nan 8.280 nan 0.000 0.551 12 W N 1.467 122.768 121.300 0.001 0.000 3.167 12 W HA 0.700 5.454 4.660 0.156 0.000 0.324 12 W C -1.815 174.686 176.519 -0.031 0.000 1.230 12 W CA -1.044 56.257 57.345 -0.073 0.000 1.184 12 W CB 2.139 31.524 29.460 -0.125 0.000 1.414 12 W HN 0.858 nan 8.180 nan 0.000 0.551 13 R N 1.418 121.993 120.500 0.124 0.000 2.664 13 R HA 0.283 4.716 4.340 0.155 0.000 0.266 13 R C -1.937 174.432 176.300 0.115 0.000 1.046 13 R CA -0.709 55.320 56.100 -0.117 0.000 0.885 13 R CB 1.651 31.850 30.300 -0.169 0.000 1.254 13 R HN 0.257 nan 8.270 nan 0.000 0.465 14 D N 2.560 123.008 120.400 0.079 0.000 2.280 14 D HA 0.277 5.010 4.640 0.155 0.000 0.243 14 D C -0.379 175.953 176.300 0.053 0.000 1.129 14 D CA 0.376 54.452 54.000 0.125 0.000 0.848 14 D CB 1.934 42.827 40.800 0.154 0.000 1.107 14 D HN 0.589 nan 8.370 nan 0.000 0.471 15 T N -0.531 114.054 114.554 0.052 0.000 2.932 15 T HA 0.452 4.895 4.350 0.155 0.000 0.289 15 T C -1.748 172.972 174.700 0.033 0.000 1.039 15 T CA -1.636 60.481 62.100 0.028 0.000 1.024 15 T CB 2.249 71.130 68.868 0.021 0.000 1.090 15 T HN -0.004 nan 8.240 nan 0.000 0.496 16 P HA -0.144 nan 4.420 nan 0.000 0.215 16 P C 0.811 178.125 177.300 0.024 0.000 1.153 16 P CA 1.369 64.483 63.100 0.024 0.000 0.853 16 P CB 0.067 31.778 31.700 0.018 0.000 0.788 17 Q N -0.350 119.462 119.800 0.019 0.000 2.444 17 Q HA 0.382 4.815 4.340 0.155 0.000 0.206 17 Q C 1.212 177.223 176.000 0.019 0.000 0.948 17 Q CA 0.631 56.443 55.803 0.015 0.000 0.946 17 Q CB -0.124 28.618 28.738 0.007 0.000 1.027 17 Q HN 0.379 nan 8.270 nan 0.000 0.513 18 G N -1.378 107.440 108.800 0.030 0.000 2.441 18 G HA2 0.196 4.249 3.960 0.155 0.000 0.222 18 G HA3 0.196 4.249 3.960 0.155 0.000 0.222 18 G C -1.311 173.625 174.900 0.060 0.000 1.254 18 G CA -0.592 44.530 45.100 0.038 0.000 0.959 18 G HN -0.081 nan 8.290 nan 0.000 0.474 19 T N 1.284 115.873 114.554 0.059 0.000 2.812 19 T HA 0.643 5.086 4.350 0.155 0.000 0.282 19 T C -0.849 173.883 174.700 0.054 0.000 0.990 19 T CA -0.460 61.697 62.100 0.096 0.000 0.960 19 T CB 2.171 71.096 68.868 0.096 0.000 0.948 19 T HN 0.445 nan 8.240 nan 0.000 0.438 20 E N 2.107 122.348 120.200 0.069 0.000 2.151 20 E HA 0.515 4.958 4.350 0.155 0.000 0.275 20 E C -1.037 175.560 176.600 -0.005 0.000 0.936 20 E CA -0.591 55.814 56.400 0.008 0.000 0.777 20 E CB 1.713 31.413 29.700 -0.001 0.000 1.108 20 E HN 0.291 nan 8.360 nan 0.000 0.401 21 V N 3.102 122.954 119.914 -0.104 0.000 2.448 21 V HA 0.343 4.557 4.120 0.155 0.000 0.295 21 V C -0.366 175.515 176.094 -0.355 0.000 1.025 21 V CA -0.468 61.701 62.300 -0.219 0.000 0.859 21 V CB 1.787 33.432 31.823 -0.297 0.000 0.988 21 V HN 0.661 nan 8.190 nan 0.000 0.431 22 S N 4.215 119.670 115.700 -0.409 0.000 2.634 22 S HA 0.929 5.492 4.470 0.155 0.000 0.296 22 S C -1.120 173.156 174.600 -0.540 0.000 1.104 22 S CA -0.685 57.311 58.200 -0.340 0.000 0.920 22 S CB 2.081 65.207 63.200 -0.123 0.000 1.111 22 S HN 0.385 nan 8.310 nan 0.000 0.493 23 F N -0.981 119.012 119.950 0.072 0.000 2.662 23 F HA 0.559 5.179 4.527 0.154 0.000 0.312 23 F C -1.544 174.304 175.800 0.080 0.000 1.113 23 F CA -0.865 57.216 58.000 0.135 0.000 0.951 23 F CB 1.413 40.465 39.000 0.087 0.000 1.344 23 F HN 0.564 nan 8.300 nan 0.000 0.462 24 W N 3.161 124.685 121.300 0.374 0.000 2.532 24 W HA 0.752 5.507 4.660 0.158 0.000 0.321 24 W C -1.196 175.458 176.519 0.226 0.000 1.037 24 W CA -0.363 57.144 57.345 0.270 0.000 1.220 24 W CB 1.440 31.062 29.460 0.270 0.000 1.361 24 W HN 0.143 nan 8.180 nan 0.000 0.468 25 L N 3.193 124.655 121.223 0.397 0.000 2.334 25 L HA 0.845 5.279 4.340 0.155 0.000 0.270 25 L C 0.132 177.198 176.870 0.326 0.000 1.018 25 L CA -1.299 53.721 54.840 0.300 0.000 0.811 25 L CB 1.580 43.748 42.059 0.182 0.000 1.271 25 L HN 0.439 nan 8.230 nan 0.000 0.443 26 A N 0.971 123.983 122.820 0.319 0.000 2.287 26 A HA 0.713 5.126 4.320 0.155 0.000 0.317 26 A C -0.165 177.598 177.584 0.299 0.000 1.220 26 A CA -0.370 51.843 52.037 0.292 0.000 0.835 26 A CB 1.064 20.231 19.000 0.277 0.000 1.180 26 A HN 0.738 nan 8.150 nan 0.000 0.500 27 T N -1.217 113.475 114.554 0.229 0.000 2.883 27 T HA 0.487 4.930 4.350 0.155 0.000 0.284 27 T C 0.104 174.923 174.700 0.198 0.000 1.041 27 T CA -0.340 61.875 62.100 0.192 0.000 1.007 27 T CB 1.159 70.090 68.868 0.105 0.000 1.220 27 T HN 0.251 nan 8.240 nan 0.000 0.552 28 D N 0.215 120.722 120.400 0.178 0.000 2.178 28 D HA -0.020 4.713 4.640 0.155 0.000 0.202 28 D C 1.643 178.001 176.300 0.097 0.000 0.974 28 D CA 1.106 55.193 54.000 0.145 0.000 0.841 28 D CB -0.223 40.657 40.800 0.133 0.000 0.953 28 D HN 0.497 nan 8.370 nan 0.000 0.478 29 N N -0.546 118.206 118.700 0.086 0.000 2.300 29 N HA 0.175 5.008 4.740 0.155 0.000 0.179 29 N C 1.076 176.633 175.510 0.077 0.000 1.016 29 N CA 1.149 54.241 53.050 0.070 0.000 0.876 29 N CB 0.441 38.965 38.487 0.063 0.000 0.979 29 N HN 0.241 nan 8.380 nan 0.000 0.432 30 G N -1.157 107.706 108.800 0.104 0.000 2.404 30 G HA2 0.126 4.179 3.960 0.155 0.000 0.253 30 G HA3 0.126 4.179 3.960 0.155 0.000 0.253 30 G C -3.143 171.857 174.900 0.167 0.000 1.253 30 G CA -0.770 44.400 45.100 0.117 0.000 0.917 30 G HN -0.115 nan 8.290 nan 0.000 0.480 31 P HA 0.630 nan 4.420 nan 0.000 0.288 31 P C -1.219 176.268 177.300 0.312 0.000 1.267 31 P CA -0.264 63.039 63.100 0.338 0.000 0.815 31 P CB 2.269 34.227 31.700 0.432 0.000 0.989 32 L N 1.757 123.132 121.223 0.252 0.000 2.401 32 L HA 0.474 4.907 4.340 0.155 0.000 0.266 32 L C -0.441 176.301 176.870 -0.214 0.000 0.991 32 L CA -0.748 54.118 54.840 0.043 0.000 0.818 32 L CB 2.213 44.302 42.059 0.050 0.000 1.321 32 L HN 0.340 nan 8.230 nan 0.000 0.413 33 Q N 2.231 121.729 119.800 -0.503 0.000 2.226 33 Q HA 0.786 5.219 4.340 0.155 0.000 0.256 33 Q C -1.775 174.033 176.000 -0.320 0.000 0.962 33 Q CA -0.717 54.606 55.803 -0.799 0.000 0.887 33 Q CB 1.995 30.059 28.738 -1.123 0.000 1.282 33 Q HN 0.623 nan 8.270 nan 0.000 0.449 34 V N 1.539 121.330 119.914 -0.205 0.000 2.876 34 V HA 0.556 4.769 4.120 0.155 0.000 0.312 34 V C -1.068 175.002 176.094 -0.040 0.000 1.085 34 V CA -0.583 61.697 62.300 -0.034 0.000 0.945 34 V CB 2.608 34.503 31.823 0.120 0.000 1.017 34 V HN 0.913 nan 8.190 nan 0.000 0.428 35 T N 4.687 119.225 114.554 -0.027 0.000 3.187 35 T HA 0.496 4.939 4.350 0.155 0.000 0.328 35 T C -0.620 174.051 174.700 -0.048 0.000 0.951 35 T CA -0.513 61.551 62.100 -0.060 0.000 1.049 35 T CB 0.739 69.565 68.868 -0.069 0.000 1.015 35 T HN 0.312 nan 8.240 nan 0.000 0.461 36 L N 1.702 122.878 121.223 -0.079 0.000 2.474 36 L HA 0.657 5.090 4.340 0.155 0.000 0.259 36 L C 1.155 177.970 176.870 -0.091 0.000 1.232 36 L CA -0.526 54.252 54.840 -0.104 0.000 0.821 36 L CB -0.312 41.592 42.059 -0.258 0.000 1.108 36 L HN 0.673 nan 8.230 nan 0.000 0.495 37 A N 0.658 123.435 122.820 -0.072 0.000 2.445 37 A HA 0.522 4.935 4.320 0.155 0.000 0.242 37 A C -2.168 175.378 177.584 -0.064 0.000 1.075 37 A CA -1.027 50.981 52.037 -0.048 0.000 0.777 37 A CB -0.837 18.149 19.000 -0.023 0.000 1.013 37 A HN 0.624 nan 8.150 nan 0.000 0.493 38 P HA 0.117 nan 4.420 nan 0.000 0.267 38 P C -0.617 176.666 177.300 -0.029 0.000 1.200 38 P CA 0.341 63.421 63.100 -0.033 0.000 0.772 38 P CB 0.433 32.125 31.700 -0.014 0.000 0.855 39 Q N 1.062 120.848 119.800 -0.023 0.000 2.458 39 Q HA 0.432 4.866 4.340 0.155 0.000 0.282 39 Q C -0.432 175.574 176.000 0.011 0.000 1.106 39 Q CA -0.839 54.962 55.803 -0.004 0.000 0.814 39 Q CB 1.971 30.713 28.738 0.007 0.000 1.425 39 Q HN 0.446 nan 8.270 nan 0.000 0.437 40 E N 0.578 120.787 120.200 0.016 0.000 2.280 40 E HA 0.439 4.882 4.350 0.155 0.000 0.264 40 E C -0.682 175.965 176.600 0.078 0.000 1.064 40 E CA -0.323 56.102 56.400 0.041 0.000 0.900 40 E CB 1.349 31.055 29.700 0.011 0.000 1.123 40 E HN 0.420 nan 8.360 nan 0.000 0.418 41 S N 0.449 116.214 115.700 0.107 0.000 2.638 41 S HA 0.555 5.119 4.470 0.155 0.000 0.298 41 S C -0.855 173.811 174.600 0.110 0.000 1.111 41 S CA -0.811 57.454 58.200 0.108 0.000 1.027 41 S CB 1.913 65.207 63.200 0.156 0.000 1.064 41 S HN 0.270 nan 8.310 nan 0.000 0.525 42 V N 0.424 120.344 119.914 0.009 0.000 2.925 42 V HA 0.899 5.112 4.120 0.155 0.000 0.311 42 V C -1.354 174.482 176.094 -0.430 0.000 1.104 42 V CA -0.450 61.732 62.300 -0.197 0.000 0.954 42 V CB 1.909 33.626 31.823 -0.176 0.000 1.022 42 V HN 1.182 nan 8.190 nan 0.000 0.427 43 A N 4.486 126.931 122.820 -0.625 0.000 2.520 43 A HA 0.908 5.321 4.320 0.155 0.000 0.298 43 A C -1.657 175.547 177.584 -0.633 0.000 1.051 43 A CA -0.430 51.282 52.037 -0.542 0.000 0.690 43 A CB 1.394 20.248 19.000 -0.243 0.000 1.281 43 A HN 0.670 nan 8.150 nan 0.000 0.402 44 F N 0.830 120.802 119.950 0.037 0.000 2.470 44 F HA 0.780 5.400 4.527 0.155 0.000 0.329 44 F C 0.292 176.148 175.800 0.094 0.000 1.072 44 F CA -0.749 57.298 58.000 0.078 0.000 0.989 44 F CB 1.604 40.705 39.000 0.168 0.000 1.193 44 F HN 0.358 nan 8.300 nan 0.000 0.481 45 I N 2.143 122.894 120.570 0.301 0.000 2.730 45 I HA 0.396 4.659 4.170 0.155 0.000 0.298 45 I C -2.592 173.649 176.117 0.206 0.000 1.089 45 I CA -2.502 58.884 61.300 0.143 0.000 1.041 45 I CB 2.756 40.780 38.000 0.040 0.000 1.235 45 I HN 0.268 nan 8.210 nan 0.000 0.423 46 P HA 0.075 nan 4.420 nan 0.000 0.270 46 P C 0.216 177.523 177.300 0.012 0.000 1.223 46 P CA -0.026 63.164 63.100 0.150 0.000 0.785 46 P CB 0.746 32.517 31.700 0.117 0.000 0.923 47 A N 2.059 124.884 122.820 0.008 0.000 1.883 47 A HA -0.228 4.185 4.320 0.155 0.000 0.217 47 A C 1.587 178.977 177.584 -0.324 0.000 1.186 47 A CA 2.150 54.058 52.037 -0.215 0.000 0.624 47 A CB -1.504 17.493 19.000 -0.004 0.000 0.822 47 A HN 0.535 nan 8.150 nan 0.000 0.444 48 D N 0.230 120.543 120.400 -0.145 0.000 2.104 48 D HA -0.186 4.547 4.640 0.155 0.000 0.194 48 D C 1.829 178.049 176.300 -0.132 0.000 0.994 48 D CA 1.587 55.514 54.000 -0.123 0.000 0.830 48 D CB -0.840 39.922 40.800 -0.062 0.000 0.959 48 D HN 0.672 nan 8.370 nan 0.000 0.452 49 Q N 0.438 120.170 119.800 -0.113 0.000 2.541 49 Q HA 0.002 4.436 4.340 0.155 0.000 0.215 49 Q C 1.952 177.875 176.000 -0.127 0.000 0.977 49 Q CA -0.039 55.706 55.803 -0.098 0.000 0.934 49 Q CB 0.169 28.858 28.738 -0.081 0.000 0.988 49 Q HN 0.158 nan 8.270 nan 0.000 0.521 50 V N 1.361 121.147 119.914 -0.213 0.000 2.343 50 V HA -0.182 4.031 4.120 0.155 0.000 0.247 50 V C -0.758 175.246 176.094 -0.150 0.000 1.051 50 V CA 1.832 63.987 62.300 -0.241 0.000 1.036 50 V CB -0.992 30.510 31.823 -0.535 0.000 0.654 50 V HN 0.274 nan 8.190 nan 0.000 0.451 51 P HA -0.122 nan 4.420 nan 0.000 0.215 51 P C 1.759 179.055 177.300 -0.006 0.000 1.157 51 P CA 1.361 64.412 63.100 -0.081 0.000 0.863 51 P CB -0.125 31.557 31.700 -0.030 0.000 0.787 52 R N -0.531 119.992 120.500 0.038 0.000 2.096 52 R HA -0.059 4.374 4.340 0.155 0.000 0.235 52 R C 2.199 178.521 176.300 0.037 0.000 1.127 52 R CA 1.593 57.749 56.100 0.094 0.000 0.968 52 R CB -1.140 29.168 30.300 0.014 0.000 0.861 52 R HN 0.156 nan 8.270 nan 0.000 0.440 53 A N 1.785 124.577 122.820 -0.047 0.000 1.902 53 A HA -0.194 4.219 4.320 0.155 0.000 0.217 53 A C 2.069 179.579 177.584 -0.122 0.000 1.181 53 A CA 1.211 53.190 52.037 -0.097 0.000 0.623 53 A CB -0.333 18.598 19.000 -0.114 0.000 0.818 53 A HN 0.399 nan 8.150 nan 0.000 0.443 54 Q N -1.221 118.510 119.800 -0.115 0.000 2.369 54 Q HA -0.154 4.279 4.340 0.155 0.000 0.206 54 Q C 1.598 177.523 176.000 -0.126 0.000 0.963 54 Q CA 1.422 57.166 55.803 -0.098 0.000 0.894 54 Q CB -0.434 28.250 28.738 -0.091 0.000 0.965 54 Q HN 0.888 nan 8.270 nan 0.000 0.475 55 H N 0.855 119.899 119.070 -0.044 0.000 2.395 55 H HA 0.048 4.697 4.556 0.155 0.000 0.299 55 H C 2.055 177.342 175.328 -0.068 0.000 1.070 55 H CA 1.071 57.093 56.048 -0.043 0.000 1.356 55 H CB 0.222 29.960 29.762 -0.040 0.000 1.401 55 H HN 0.134 nan 8.280 nan 0.000 0.524 56 I N 0.619 121.201 120.570 0.020 0.000 2.252 56 I HA -0.177 4.087 4.170 0.155 0.000 0.245 56 I C 0.368 176.410 176.117 -0.125 0.000 1.102 56 I CA 1.014 62.281 61.300 -0.055 0.000 1.385 56 I CB -0.047 37.898 38.000 -0.092 0.000 1.064 56 I HN 0.142 nan 8.210 nan 0.000 0.414 57 L N 2.029 123.120 121.223 -0.220 0.000 2.512 57 L HA 0.285 4.719 4.340 0.155 0.000 0.247 57 L C -0.184 176.638 176.870 -0.079 0.000 1.204 57 L CA -0.281 54.362 54.840 -0.327 0.000 1.153 57 L CB -0.246 41.309 42.059 -0.839 0.000 1.415 57 L HN 0.133 nan 8.230 nan 0.000 0.406 58 Q N 1.464 121.252 119.800 -0.020 0.000 2.290 58 Q HA 0.509 4.942 4.340 0.155 0.000 0.259 58 Q C 0.896 176.923 176.000 0.045 0.000 0.941 58 Q CA 0.350 56.175 55.803 0.038 0.000 0.912 58 Q CB 1.717 30.489 28.738 0.056 0.000 1.244 58 Q HN 0.578 nan 8.270 nan 0.000 0.441 59 G N 2.936 111.775 108.800 0.064 0.000 2.221 59 G HA2 -0.229 3.825 3.960 0.155 0.000 0.265 59 G HA3 -0.229 3.825 3.960 0.155 0.000 0.265 59 G C -0.018 174.923 174.900 0.069 0.000 1.041 59 G CA 0.475 45.607 45.100 0.054 0.000 0.807 59 G HN 0.539 nan 8.290 nan 0.000 0.502 60 E N -0.603 119.664 120.200 0.113 0.000 2.568 60 E HA 0.732 5.175 4.350 0.155 0.000 0.242 60 E C 0.667 177.391 176.600 0.206 0.000 0.945 60 E CA -0.116 56.369 56.400 0.142 0.000 0.918 60 E CB 1.230 30.959 29.700 0.047 0.000 1.386 60 E HN 0.695 nan 8.360 nan 0.000 0.426 61 Q N -2.663 117.318 119.800 0.301 0.000 2.944 61 Q HA 0.381 4.814 4.340 0.155 0.000 0.328 61 Q C 0.035 176.218 176.000 0.306 0.000 0.810 61 Q CA -0.305 55.611 55.803 0.189 0.000 0.847 61 Q CB 0.443 29.203 28.738 0.036 0.000 1.408 61 Q HN 0.682 nan 8.270 nan 0.000 0.484 62 G N 0.159 109.048 108.800 0.149 0.000 2.136 62 G HA2 -0.213 3.840 3.960 0.155 0.000 0.242 62 G HA3 -0.213 3.840 3.960 0.155 0.000 0.242 62 G C -0.480 174.611 174.900 0.318 0.000 0.989 62 G CA 0.600 45.813 45.100 0.189 0.000 0.682 62 G HN 1.019 nan 8.290 nan 0.000 0.522 63 F N -1.088 118.965 119.950 0.172 0.000 2.613 63 F HA 0.910 5.530 4.527 0.155 0.000 0.314 63 F C -0.591 175.279 175.800 0.117 0.000 1.075 63 F CA -2.180 55.927 58.000 0.179 0.000 0.945 63 F CB 1.679 40.824 39.000 0.241 0.000 1.310 63 F HN 0.108 nan 8.300 nan 0.000 0.467 64 R N 3.946 124.607 120.500 0.268 0.000 2.538 64 R HA 0.614 5.047 4.340 0.155 0.000 0.292 64 R C -2.445 174.029 176.300 0.290 0.000 1.008 64 R CA -0.720 55.458 56.100 0.129 0.000 0.896 64 R CB 2.139 32.554 30.300 0.192 0.000 1.187 64 R HN 1.059 nan 8.270 nan 0.000 0.440 65 L N 3.025 124.392 121.223 0.241 0.000 2.362 65 L HA 0.575 5.008 4.340 0.155 0.000 0.275 65 L C -0.787 176.190 176.870 0.179 0.000 0.998 65 L CA -0.219 54.774 54.840 0.255 0.000 0.820 65 L CB 2.225 44.501 42.059 0.362 0.000 1.270 65 L HN 0.867 nan 8.230 nan 0.000 0.415 66 T N 3.067 117.663 114.554 0.071 0.000 2.802 66 T HA 0.581 5.025 4.350 0.155 0.000 0.311 66 T C -2.946 171.437 174.700 -0.529 0.000 1.405 66 T CA -1.415 60.591 62.100 -0.156 0.000 1.016 66 T CB 2.206 71.064 68.868 -0.015 0.000 1.352 66 T HN 0.207 nan 8.240 nan 0.000 0.498 67 P HA 0.631 nan 4.420 nan 0.000 0.272 67 P C -1.036 176.111 177.300 -0.255 0.000 1.230 67 P CA -0.416 62.218 63.100 -0.776 0.000 0.788 67 P CB 0.375 31.744 31.700 -0.551 0.000 0.949 68 L N -0.261 120.876 121.223 -0.143 0.000 2.506 68 L HA 0.536 4.969 4.340 0.155 0.000 0.257 68 L C 0.075 176.907 176.870 -0.063 0.000 0.964 68 L CA -1.172 53.637 54.840 -0.051 0.000 0.836 68 L CB 1.904 43.971 42.059 0.013 0.000 1.384 68 L HN 0.196 nan 8.230 nan 0.000 0.410 69 A N 2.320 125.102 122.820 -0.063 0.000 2.810 69 A HA 0.480 4.893 4.320 0.155 0.000 0.247 69 A C -0.293 177.217 177.584 -0.124 0.000 1.576 69 A CA 0.404 52.393 52.037 -0.079 0.000 1.294 69 A CB -0.891 18.070 19.000 -0.065 0.000 0.976 69 A HN 0.364 nan 8.150 nan 0.000 0.631 70 L N -0.472 120.664 121.223 -0.145 0.000 2.279 70 L HA 0.681 5.114 4.340 0.155 0.000 0.262 70 L C 0.054 176.783 176.870 -0.235 0.000 1.019 70 L CA -0.225 54.477 54.840 -0.229 0.000 0.823 70 L CB 1.922 43.801 42.059 -0.301 0.000 1.358 70 L HN 0.407 nan 8.230 nan 0.000 0.432 71 K N -0.468 119.736 120.400 -0.326 0.000 2.533 71 K HA 0.401 4.814 4.320 0.155 0.000 0.272 71 K C -1.351 175.183 176.600 -0.111 0.000 0.985 71 K CA -1.018 55.118 56.287 -0.252 0.000 0.876 71 K CB 1.613 33.858 32.500 -0.426 0.000 1.452 71 K HN 0.417 nan 8.250 nan 0.000 0.439 72 D N 0.222 120.630 120.400 0.013 0.000 2.372 72 D HA 0.062 4.795 4.640 0.155 0.000 0.243 72 D C 0.261 176.731 176.300 0.284 0.000 1.297 72 D CA 0.398 54.430 54.000 0.053 0.000 0.958 72 D CB 0.402 41.318 40.800 0.195 0.000 1.114 72 D HN 0.392 nan 8.370 nan 0.000 0.496 73 F N -0.582 119.320 119.950 -0.081 0.000 2.797 73 F HA 0.011 4.631 4.527 0.155 0.000 0.302 73 F C 1.734 177.457 175.800 -0.128 0.000 1.130 73 F CA 0.109 58.063 58.000 -0.077 0.000 1.387 73 F CB 0.266 39.130 39.000 -0.225 0.000 1.107 73 F HN 0.358 nan 8.300 nan 0.000 0.577 74 H N -0.655 118.535 119.070 0.199 0.000 2.586 74 H HA 0.234 4.884 4.556 0.155 0.000 0.273 74 H C 0.461 175.851 175.328 0.103 0.000 0.997 74 H CA -0.023 56.103 56.048 0.130 0.000 1.177 74 H CB 0.334 30.170 29.762 0.123 0.000 1.471 74 H HN -0.112 nan 8.280 nan 0.000 0.538 75 R N 0.100 120.729 120.500 0.215 0.000 3.822 75 R HA -0.129 4.305 4.340 0.155 0.000 0.366 75 R C -1.029 175.308 176.300 0.061 0.000 1.137 75 R CA 0.193 56.364 56.100 0.119 0.000 0.933 75 R CB -2.032 28.331 30.300 0.105 0.000 1.522 75 R HN 0.390 nan 8.270 nan 0.000 0.519 76 Q N 1.061 120.918 119.800 0.094 0.000 2.307 76 Q HA 0.408 4.842 4.340 0.155 0.000 0.262 76 Q C -2.322 173.716 176.000 0.063 0.000 0.961 76 Q CA -2.235 53.613 55.803 0.076 0.000 0.882 76 Q CB 1.870 30.672 28.738 0.106 0.000 1.264 76 Q HN -0.132 nan 8.270 nan 0.000 0.446 77 P HA -0.117 nan 4.420 nan 0.000 0.264 77 P C -0.352 177.033 177.300 0.141 0.000 1.173 77 P CA 0.350 63.488 63.100 0.063 0.000 0.761 77 P CB 0.435 32.189 31.700 0.090 0.000 0.794 78 V N 1.293 121.299 119.914 0.154 0.000 3.103 78 V HA 0.580 4.793 4.120 0.155 0.000 0.318 78 V C -1.011 175.310 176.094 0.378 0.000 1.114 78 V CA -0.983 61.469 62.300 0.254 0.000 1.020 78 V CB 1.771 33.714 31.823 0.201 0.000 1.085 78 V HN 0.365 nan 8.190 nan 0.000 0.446 79 Y N -0.198 120.176 120.300 0.123 0.000 2.468 79 Y HA 0.755 5.398 4.550 0.155 0.000 0.342 79 Y C 0.777 176.762 175.900 0.142 0.000 1.021 79 Y CA -0.557 57.605 58.100 0.104 0.000 1.079 79 Y CB 2.586 41.085 38.460 0.066 0.000 1.226 79 Y HN 1.003 nan 8.280 nan 0.000 0.460 80 G N 2.753 111.634 108.800 0.135 0.000 2.372 80 G HA2 0.489 4.542 3.960 0.155 0.000 0.323 80 G HA3 0.489 4.542 3.960 0.155 0.000 0.323 80 G C -2.018 172.597 174.900 -0.474 0.000 1.152 80 G CA -0.515 44.512 45.100 -0.122 0.000 0.906 80 G HN 0.469 nan 8.290 nan 0.000 0.460 81 L N 2.709 123.628 121.223 -0.506 0.000 2.280 81 L HA 0.697 5.130 4.340 0.155 0.000 0.287 81 L C -1.502 175.121 176.870 -0.411 0.000 1.023 81 L CA -0.993 53.666 54.840 -0.302 0.000 0.819 81 L CB 0.511 42.496 42.059 -0.123 0.000 1.212 81 L HN 0.469 nan 8.230 nan 0.000 0.420 82 Y N 3.683 124.042 120.300 0.099 0.000 2.393 82 Y HA 0.687 5.330 4.550 0.155 0.000 0.341 82 Y C 0.038 176.005 175.900 0.112 0.000 0.988 82 Y CA -0.748 57.386 58.100 0.056 0.000 1.078 82 Y CB 1.649 40.131 38.460 0.038 0.000 1.203 82 Y HN 0.605 nan 8.280 nan 0.000 0.453 83 C N 1.450 120.881 119.300 0.218 0.000 2.802 83 C HA 0.524 5.078 4.460 0.155 0.000 0.307 83 C C 1.168 176.224 174.990 0.109 0.000 1.222 83 C CA -1.230 57.889 59.018 0.169 0.000 1.580 83 C CB 2.110 29.903 27.740 0.088 0.000 2.119 83 C HN 1.020 nan 8.230 nan 0.000 0.479 84 R N 0.455 121.007 120.500 0.086 0.000 2.334 84 R HA 0.395 4.828 4.340 0.155 0.000 0.216 84 R C 0.375 176.711 176.300 0.059 0.000 0.905 84 R CA 0.371 56.509 56.100 0.064 0.000 1.064 84 R CB 0.126 30.456 30.300 0.049 0.000 1.046 84 R HN 0.891 nan 8.270 nan 0.000 0.508 85 A N -0.311 122.537 122.820 0.046 0.000 2.267 85 A HA 0.203 4.616 4.320 0.155 0.000 0.315 85 A C -0.259 177.343 177.584 0.030 0.000 1.297 85 A CA -0.595 51.477 52.037 0.058 0.000 0.865 85 A CB 0.579 19.599 19.000 0.034 0.000 1.165 85 A HN 0.460 nan 8.150 nan 0.000 0.513 86 H N 3.010 122.060 119.070 -0.033 0.000 2.387 86 H HA -0.191 4.459 4.556 0.156 0.000 0.299 86 H C 2.168 177.441 175.328 -0.091 0.000 1.090 86 H CA 2.621 58.577 56.048 -0.154 0.000 1.332 86 H CB 0.230 29.717 29.762 -0.459 0.000 1.386 86 H HN 0.782 nan 8.280 nan 0.000 0.516 87 R N 0.480 121.062 120.500 0.137 0.000 2.120 87 R HA -0.179 4.254 4.340 0.155 0.000 0.234 87 R C 2.246 178.476 176.300 -0.117 0.000 1.123 87 R CA 1.717 57.872 56.100 0.091 0.000 0.975 87 R CB -0.546 29.870 30.300 0.194 0.000 0.866 87 R HN 0.615 nan 8.270 nan 0.000 0.446 88 Q N 1.038 120.719 119.800 -0.198 0.000 2.137 88 Q HA -0.033 4.401 4.340 0.155 0.000 0.198 88 Q C 2.251 177.831 176.000 -0.700 0.000 0.960 88 Q CA 0.785 56.329 55.803 -0.433 0.000 0.847 88 Q CB -0.233 28.252 28.738 -0.422 0.000 0.915 88 Q HN 0.406 nan 8.270 nan 0.000 0.448 89 L N 0.334 121.254 121.223 -0.506 0.000 2.043 89 L HA -0.194 4.239 4.340 0.155 0.000 0.212 89 L C 2.467 179.112 176.870 -0.374 0.000 1.075 89 L CA 1.758 56.343 54.840 -0.425 0.000 0.752 89 L CB -0.278 41.561 42.059 -0.367 0.000 0.891 89 L HN 0.474 nan 8.230 nan 0.000 0.432 90 M N -0.470 118.894 119.600 -0.393 0.000 2.108 90 M HA -0.258 4.315 4.480 0.155 0.000 0.261 90 M C 1.823 178.030 176.300 -0.155 0.000 1.066 90 M CA 1.763 56.912 55.300 -0.252 0.000 1.107 90 M CB -0.384 32.112 32.600 -0.173 0.000 1.356 90 M HN 0.312 nan 8.290 nan 0.000 0.406 91 N N -0.586 117.996 118.700 -0.195 0.000 2.244 91 N HA -0.142 4.691 4.740 0.155 0.000 0.183 91 N C 1.474 177.021 175.510 0.061 0.000 1.016 91 N CA 1.303 54.299 53.050 -0.089 0.000 0.866 91 N CB -0.295 38.126 38.487 -0.109 0.000 0.980 91 N HN 0.380 nan 8.380 nan 0.000 0.430 92 Y N 2.104 122.336 120.300 -0.112 0.000 2.263 92 Y HA -0.035 4.609 4.550 0.156 0.000 0.292 92 Y C 2.256 178.064 175.900 -0.154 0.000 1.130 92 Y CA 0.425 58.431 58.100 -0.156 0.000 1.179 92 Y CB -0.654 37.675 38.460 -0.220 0.000 0.998 92 Y HN 0.258 nan 8.280 nan 0.000 0.532 93 E N 1.003 121.220 120.200 0.029 0.000 2.072 93 E HA -0.203 4.240 4.350 0.155 0.000 0.191 93 E C 1.849 178.429 176.600 -0.034 0.000 0.985 93 E CA 1.493 57.871 56.400 -0.037 0.000 0.801 93 E CB -0.435 29.224 29.700 -0.069 0.000 0.750 93 E HN 0.582 nan 8.360 nan 0.000 0.452 94 K N 1.453 121.841 120.400 -0.019 0.000 2.148 94 K HA -0.058 4.356 4.320 0.155 0.000 0.204 94 K C 2.211 178.802 176.600 -0.016 0.000 1.050 94 K CA 0.850 57.127 56.287 -0.017 0.000 0.942 94 K CB -0.135 32.360 32.500 -0.008 0.000 0.724 94 K HN -0.059 nan 8.250 nan 0.000 0.446 95 R N 0.323 120.820 120.500 -0.004 0.000 2.075 95 R HA -0.022 4.412 4.340 0.155 0.000 0.232 95 R C 2.163 178.436 176.300 -0.046 0.000 1.126 95 R CA 1.036 57.125 56.100 -0.018 0.000 0.963 95 R CB -0.378 29.915 30.300 -0.012 0.000 0.858 95 R HN 0.089 nan 8.270 nan 0.000 0.435 96 L N 0.760 121.947 121.223 -0.060 0.000 2.046 96 L HA -0.137 4.297 4.340 0.155 0.000 0.208 96 L C 2.276 179.104 176.870 -0.071 0.000 1.077 96 L CA 1.718 56.509 54.840 -0.082 0.000 0.747 96 L CB -0.488 41.510 42.059 -0.102 0.000 0.896 96 L HN 0.071 nan 8.230 nan 0.000 0.432 97 R N -0.602 119.861 120.500 -0.062 0.000 2.075 97 R HA -0.102 4.331 4.340 0.155 0.000 0.232 97 R C 2.007 178.281 176.300 -0.043 0.000 1.126 97 R CA 1.067 57.133 56.100 -0.058 0.000 0.963 97 R CB -0.313 29.958 30.300 -0.049 0.000 0.858 97 R HN 0.476 nan 8.270 nan 0.000 0.435 98 E N -0.088 120.091 120.200 -0.035 0.000 2.204 98 E HA -0.120 4.323 4.350 0.155 0.000 0.195 98 E C 1.627 178.209 176.600 -0.031 0.000 0.990 98 E CA 1.143 57.527 56.400 -0.027 0.000 0.821 98 E CB -0.050 29.637 29.700 -0.021 0.000 0.750 98 E HN 0.445 nan 8.360 nan 0.000 0.477 99 G N -0.073 108.703 108.800 -0.039 0.000 3.233 99 G HA2 0.236 4.289 3.960 0.155 0.000 0.227 99 G HA3 0.236 4.289 3.960 0.155 0.000 0.227 99 G C 0.944 175.819 174.900 -0.041 0.000 1.175 99 G CA 0.159 45.235 45.100 -0.039 0.000 0.781 99 G HN 0.341 nan 8.290 nan 0.000 0.542 100 G N -1.178 107.596 108.800 -0.042 0.000 2.132 100 G HA2 -0.204 3.849 3.960 0.155 0.000 0.234 100 G HA3 -0.204 3.849 3.960 0.155 0.000 0.234 100 G C 0.020 174.888 174.900 -0.054 0.000 0.989 100 G CA 0.072 45.147 45.100 -0.042 0.000 0.676 100 G HN 0.795 nan 8.290 nan 0.000 0.522 101 V N 1.671 121.544 119.914 -0.069 0.000 2.398 101 V HA 0.593 4.806 4.120 0.155 0.000 0.286 101 V C 0.743 176.763 176.094 -0.124 0.000 1.026 101 V CA -0.140 62.106 62.300 -0.089 0.000 0.868 101 V CB 1.550 33.317 31.823 -0.093 0.000 0.982 101 V HN 0.384 nan 8.190 nan 0.000 0.443 102 T N 4.348 118.806 114.554 -0.160 0.000 2.814 102 T HA 0.499 4.943 4.350 0.155 0.000 0.297 102 T C -0.046 174.398 174.700 -0.426 0.000 0.956 102 T CA -0.406 61.529 62.100 -0.276 0.000 1.123 102 T CB 1.050 69.730 68.868 -0.314 0.000 0.902 102 T HN 0.725 nan 8.240 nan 0.000 0.528 103 V N 0.689 120.352 119.914 -0.417 0.000 2.769 103 V HA 0.766 4.979 4.120 0.155 0.000 0.312 103 V C -1.493 174.364 176.094 -0.395 0.000 1.061 103 V CA -1.337 60.755 62.300 -0.346 0.000 0.931 103 V CB 1.119 32.846 31.823 -0.161 0.000 1.010 103 V HN 0.735 nan 8.190 nan 0.000 0.433 104 Y N 0.246 120.607 120.300 0.102 0.000 2.468 104 Y HA 0.570 5.213 4.550 0.155 0.000 0.342 104 Y C 0.791 176.783 175.900 0.153 0.000 1.021 104 Y CA -0.955 57.225 58.100 0.134 0.000 1.079 104 Y CB 1.577 40.160 38.460 0.204 0.000 1.226 104 Y HN 0.924 nan 8.280 nan 0.000 0.460 105 E N -0.177 120.212 120.200 0.315 0.000 2.586 105 E HA -0.296 4.147 4.350 0.155 0.000 0.259 105 E C 0.761 177.449 176.600 0.146 0.000 1.107 105 E CA 0.491 57.052 56.400 0.268 0.000 0.754 105 E CB -1.063 28.858 29.700 0.369 0.000 1.335 105 E HN 0.775 nan 8.360 nan 0.000 0.411 106 A N 0.971 123.845 122.820 0.090 0.000 2.168 106 A HA -0.162 4.251 4.320 0.155 0.000 0.215 106 A C 1.824 179.434 177.584 0.044 0.000 1.152 106 A CA 1.370 53.417 52.037 0.017 0.000 0.716 106 A CB -0.060 18.932 19.000 -0.014 0.000 0.794 106 A HN 0.488 nan 8.150 nan 0.000 0.465 107 D N -0.409 120.047 120.400 0.093 0.000 2.348 107 D HA -0.002 4.731 4.640 0.155 0.000 0.211 107 D C 0.723 177.088 176.300 0.109 0.000 0.998 107 D CA 0.444 54.503 54.000 0.098 0.000 0.873 107 D CB -0.439 40.420 40.800 0.099 0.000 0.925 107 D HN 0.239 nan 8.370 nan 0.000 0.524 108 V N 1.744 121.738 119.914 0.134 0.000 2.427 108 V HA 0.225 4.439 4.120 0.155 0.000 0.268 108 V C 0.149 176.241 176.094 -0.002 0.000 1.046 108 V CA -0.645 61.711 62.300 0.093 0.000 0.970 108 V CB 0.491 32.409 31.823 0.159 0.000 1.001 108 V HN -0.125 nan 8.190 nan 0.000 0.476 109 R N 6.881 127.310 120.500 -0.118 0.000 2.756 109 R HA 0.216 4.650 4.340 0.155 0.000 0.264 109 R C -1.619 174.389 176.300 -0.485 0.000 1.026 109 R CA -1.770 54.072 56.100 -0.431 0.000 1.121 109 R CB 0.087 30.255 30.300 -0.220 0.000 0.999 109 R HN 0.500 nan 8.270 nan 0.000 0.449 110 P HA -0.075 nan 4.420 nan 0.000 0.214 110 P C -1.366 175.848 177.300 -0.143 0.000 1.163 110 P CA 1.546 64.354 63.100 -0.486 0.000 0.883 110 P CB -0.459 30.869 31.700 -0.619 0.000 0.788 111 P HA -0.193 nan 4.420 nan 0.000 0.216 111 P C 1.305 178.749 177.300 0.239 0.000 1.153 111 P CA 1.683 64.861 63.100 0.130 0.000 0.858 111 P CB -0.384 31.401 31.700 0.143 0.000 0.789 112 E N -1.299 118.974 120.200 0.123 0.000 2.152 112 E HA -0.088 4.355 4.350 0.155 0.000 0.192 112 E C 2.122 178.760 176.600 0.064 0.000 0.983 112 E CA 0.624 57.096 56.400 0.121 0.000 0.818 112 E CB -0.487 29.262 29.700 0.082 0.000 0.758 112 E HN 0.096 nan 8.360 nan 0.000 0.467 113 R N -0.597 119.942 120.500 0.064 0.000 2.091 113 R HA -0.205 4.228 4.340 0.155 0.000 0.238 113 R C 2.045 178.400 176.300 0.092 0.000 1.136 113 R CA 1.338 57.486 56.100 0.080 0.000 0.959 113 R CB -0.299 30.058 30.300 0.096 0.000 0.856 113 R HN 0.236 nan 8.270 nan 0.000 0.437 114 Y N 1.085 121.405 120.300 0.033 0.000 2.070 114 Y HA -0.246 4.397 4.550 0.155 0.000 0.279 114 Y C 1.893 177.816 175.900 0.037 0.000 1.134 114 Y CA 1.996 60.132 58.100 0.060 0.000 1.113 114 Y CB -0.564 37.976 38.460 0.134 0.000 0.981 114 Y HN -0.017 nan 8.280 nan 0.000 0.487 115 L N -0.511 120.756 121.223 0.074 0.000 1.989 115 L HA -0.303 4.130 4.340 0.155 0.000 0.211 115 L C 2.729 179.495 176.870 -0.172 0.000 1.071 115 L CA 1.940 56.751 54.840 -0.048 0.000 0.749 115 L CB -0.807 41.343 42.059 0.151 0.000 0.890 115 L HN 0.336 nan 8.230 nan 0.000 0.431 116 M N -0.250 119.196 119.600 -0.257 0.000 2.113 116 M HA -0.281 4.293 4.480 0.155 0.000 0.255 116 M C 1.939 177.947 176.300 -0.485 0.000 1.073 116 M CA 1.912 56.840 55.300 -0.621 0.000 1.091 116 M CB -0.106 32.209 32.600 -0.475 0.000 1.309 116 M HN 0.210 nan 8.290 nan 0.000 0.407 117 E N -0.796 119.183 120.200 -0.367 0.000 2.489 117 E HA -0.017 4.426 4.350 0.155 0.000 0.193 117 E C 1.324 177.596 176.600 -0.546 0.000 1.057 117 E CA 0.252 56.381 56.400 -0.452 0.000 0.866 117 E CB 0.089 29.675 29.700 -0.190 0.000 0.916 117 E HN 0.436 nan 8.360 nan 0.000 0.500 118 R N -0.290 119.941 120.500 -0.449 0.000 2.362 118 R HA 0.118 4.552 4.340 0.155 0.000 0.227 118 R C -0.154 176.137 176.300 -0.016 0.000 0.905 118 R CA -0.385 55.552 56.100 -0.271 0.000 1.067 118 R CB -0.196 29.859 30.300 -0.407 0.000 1.078 118 R HN 0.087 nan 8.270 nan 0.000 0.516 119 F N -0.606 119.304 119.950 -0.067 0.000 2.965 119 F HA -0.235 4.385 4.527 0.155 0.000 0.287 119 F C 0.111 175.932 175.800 0.035 0.000 0.790 119 F CA 0.116 58.112 58.000 -0.007 0.000 1.279 119 F CB -2.018 36.985 39.000 0.004 0.000 1.409 119 F HN -0.083 nan 8.300 nan 0.000 0.446 120 I N -0.184 120.467 120.570 0.136 0.000 2.488 120 I HA 0.444 4.707 4.170 0.155 0.000 0.299 120 I C 1.244 177.463 176.117 0.171 0.000 0.984 120 I CA 0.299 61.664 61.300 0.108 0.000 1.250 120 I CB 1.569 39.569 38.000 -0.000 0.000 1.389 120 I HN 0.227 nan 8.210 nan 0.000 0.488 121 T N -0.634 113.929 114.554 0.016 0.000 3.330 121 T HA 0.179 4.622 4.350 0.155 0.000 0.185 121 T C 1.114 175.689 174.700 -0.209 0.000 0.874 121 T CA 0.249 62.275 62.100 -0.123 0.000 1.268 121 T CB 0.245 69.050 68.868 -0.105 0.000 1.866 121 T HN 0.461 nan 8.240 nan 0.000 0.395 122 S N 1.516 117.029 115.700 -0.311 0.000 2.670 122 S HA 0.407 4.971 4.470 0.155 0.000 0.241 122 S C -2.466 171.697 174.600 -0.728 0.000 1.077 122 S CA -0.250 57.578 58.200 -0.621 0.000 0.899 122 S CB 0.213 62.818 63.200 -0.992 0.000 0.835 122 S HN 0.392 nan 8.310 nan 0.000 0.481 123 P HA 0.365 nan 4.420 nan 0.000 0.285 123 P C -0.765 176.491 177.300 -0.073 0.000 1.259 123 P CA -0.052 62.957 63.100 -0.152 0.000 0.794 123 P CB 1.514 33.259 31.700 0.074 0.000 0.940 124 V N -0.396 119.460 119.914 -0.095 0.000 3.202 124 V HA 0.656 4.869 4.120 0.155 0.000 0.306 124 V C -1.843 174.193 176.094 -0.097 0.000 1.283 124 V CA -1.207 61.065 62.300 -0.047 0.000 1.065 124 V CB 2.012 33.802 31.823 -0.055 0.000 1.079 124 V HN 0.414 nan 8.190 nan 0.000 0.448 125 W N 0.226 121.583 121.300 0.096 0.000 2.702 125 W HA 0.795 5.548 4.660 0.156 0.000 0.331 125 W C -0.696 175.848 176.519 0.041 0.000 1.049 125 W CA -0.863 56.529 57.345 0.079 0.000 1.230 125 W CB 2.168 31.661 29.460 0.056 0.000 1.408 125 W HN 0.656 nan 8.180 nan 0.000 0.492 126 V N 3.997 124.097 119.914 0.311 0.000 2.531 126 V HA 0.483 4.696 4.120 0.155 0.000 0.301 126 V C -0.686 175.510 176.094 0.169 0.000 1.034 126 V CA -0.465 61.952 62.300 0.196 0.000 0.865 126 V CB 1.498 33.398 31.823 0.128 0.000 0.995 126 V HN 0.601 nan 8.190 nan 0.000 0.424 127 E N 3.842 124.122 120.200 0.133 0.000 2.202 127 E HA 0.817 5.260 4.350 0.155 0.000 0.272 127 E C -0.052 176.595 176.600 0.079 0.000 0.951 127 E CA -0.094 56.359 56.400 0.089 0.000 0.813 127 E CB 2.207 31.946 29.700 0.064 0.000 1.151 127 E HN 1.094 nan 8.360 nan 0.000 0.398 128 G N 1.526 110.361 108.800 0.060 0.000 2.490 128 G HA2 0.124 4.177 3.960 0.155 0.000 0.308 128 G HA3 0.124 4.177 3.960 0.155 0.000 0.308 128 G C -1.666 173.259 174.900 0.041 0.000 1.286 128 G CA -0.587 44.543 45.100 0.051 0.000 0.825 128 G HN 0.444 nan 8.290 nan 0.000 0.479 129 D N 0.580 121.002 120.400 0.037 0.000 2.481 129 D HA 0.436 5.169 4.640 0.155 0.000 0.246 129 D C -0.489 175.845 176.300 0.057 0.000 1.109 129 D CA -0.430 53.594 54.000 0.039 0.000 0.845 129 D CB 1.801 42.615 40.800 0.023 0.000 1.160 129 D HN 0.352 nan 8.370 nan 0.000 0.534 130 M N 4.881 124.518 119.600 0.062 0.000 2.193 130 M HA 0.118 4.691 4.480 0.155 0.000 0.342 130 M C -1.307 175.060 176.300 0.112 0.000 1.413 130 M CA -0.019 55.321 55.300 0.066 0.000 1.191 130 M CB 0.220 32.846 32.600 0.044 0.000 1.633 130 M HN 0.241 nan 8.290 nan 0.000 0.458 131 H N 5.565 124.632 119.070 -0.006 0.000 2.646 131 H HA 0.297 4.947 4.556 0.156 0.000 0.328 131 H C -0.408 174.916 175.328 -0.008 0.000 0.998 131 H CA -0.204 55.841 56.048 -0.005 0.000 1.225 131 H CB 0.638 30.396 29.762 -0.007 0.000 1.457 131 H HN 0.884 nan 8.280 nan 0.000 0.505 132 N N 3.393 121.909 118.700 -0.307 0.000 2.747 132 N HA -0.179 4.654 4.740 0.155 0.000 0.249 132 N C 0.997 176.455 175.510 -0.088 0.000 1.107 132 N CA 1.582 54.495 53.050 -0.229 0.000 0.707 132 N CB -1.382 36.931 38.487 -0.291 0.000 1.054 132 N HN 1.072 nan 8.380 nan 0.000 0.555 133 G N -3.210 105.560 108.800 -0.050 0.000 2.175 133 G HA2 -0.276 3.777 3.960 0.155 0.000 0.244 133 G HA3 -0.276 3.777 3.960 0.155 0.000 0.244 133 G C 0.110 174.990 174.900 -0.032 0.000 0.982 133 G CA 0.606 45.693 45.100 -0.021 0.000 0.641 133 G HN 0.609 nan 8.290 nan 0.000 0.527 134 T N 0.659 115.192 114.554 -0.034 0.000 2.893 134 T HA 0.674 5.117 4.350 0.155 0.000 0.291 134 T C 0.071 174.762 174.700 -0.014 0.000 1.028 134 T CA -0.546 61.517 62.100 -0.061 0.000 0.995 134 T CB 2.296 71.119 68.868 -0.075 0.000 1.051 134 T HN 0.266 nan 8.240 nan 0.000 0.470 135 I N 2.424 122.980 120.570 -0.024 0.000 2.385 135 I HA 0.515 4.779 4.170 0.155 0.000 0.294 135 I C -0.431 175.691 176.117 0.009 0.000 0.988 135 I CA -0.667 60.639 61.300 0.012 0.000 1.265 135 I CB 1.432 39.446 38.000 0.023 0.000 1.388 135 I HN 0.256 nan 8.210 nan 0.000 0.480 136 V N 5.225 125.152 119.914 0.022 0.000 3.046 136 V HA 0.363 4.576 4.120 0.155 0.000 0.316 136 V C 0.051 176.150 176.094 0.007 0.000 1.104 136 V CA -0.833 61.471 62.300 0.006 0.000 1.006 136 V CB 1.870 33.694 31.823 0.001 0.000 1.058 136 V HN 0.871 nan 8.190 nan 0.000 0.440 137 N N 0.408 119.104 118.700 -0.006 0.000 2.716 137 N HA -0.182 4.651 4.740 0.155 0.000 0.250 137 N C 0.041 175.564 175.510 0.022 0.000 1.033 137 N CA 1.040 54.089 53.050 -0.001 0.000 0.727 137 N CB -0.801 37.683 38.487 -0.004 0.000 0.950 137 N HN 1.014 nan 8.380 nan 0.000 0.541 138 A N 0.352 123.190 122.820 0.030 0.000 2.287 138 A HA 0.716 5.129 4.320 0.155 0.000 0.273 138 A C 0.621 178.263 177.584 0.098 0.000 1.091 138 A CA -0.103 51.974 52.037 0.067 0.000 0.817 138 A CB 0.846 19.895 19.000 0.082 0.000 1.069 138 A HN 0.340 nan 8.150 nan 0.000 0.492 139 R N -0.340 120.248 120.500 0.146 0.000 2.584 139 R HA 0.534 4.968 4.340 0.155 0.000 0.276 139 R C -2.036 174.407 176.300 0.237 0.000 1.046 139 R CA -0.780 55.454 56.100 0.223 0.000 0.906 139 R CB 1.438 31.840 30.300 0.169 0.000 1.215 139 R HN 0.438 nan 8.270 nan 0.000 0.449 140 L N 1.844 123.254 121.223 0.311 0.000 2.334 140 L HA 0.571 5.004 4.340 0.155 0.000 0.276 140 L C -0.107 176.851 176.870 0.145 0.000 1.014 140 L CA -0.403 54.562 54.840 0.209 0.000 0.815 140 L CB 1.338 43.502 42.059 0.175 0.000 1.268 140 L HN 0.454 nan 8.230 nan 0.000 0.428 141 K N 2.292 122.801 120.400 0.182 0.000 2.426 141 K HA 0.621 5.034 4.320 0.155 0.000 0.251 141 K C -2.716 174.018 176.600 0.222 0.000 0.941 141 K CA -1.884 54.516 56.287 0.188 0.000 0.808 141 K CB 2.682 35.311 32.500 0.216 0.000 1.265 141 K HN 0.220 nan 8.250 nan 0.000 0.432 142 P HA 0.100 nan 4.420 nan 0.000 0.272 142 P C -1.358 176.065 177.300 0.205 0.000 1.230 142 P CA -0.035 63.161 63.100 0.160 0.000 0.788 142 P CB 0.437 32.224 31.700 0.145 0.000 0.949 143 H N 2.144 121.228 119.070 0.022 0.000 2.511 143 H HA 0.284 4.934 4.556 0.156 0.000 0.328 143 H C -1.570 173.786 175.328 0.047 0.000 1.044 143 H CA -1.883 54.133 56.048 -0.054 0.000 1.212 143 H CB 1.111 30.712 29.762 -0.268 0.000 1.428 143 H HN 0.308 nan 8.280 nan 0.000 0.483 144 P HA -0.132 nan 4.420 nan 0.000 0.214 144 P C -0.585 176.847 177.300 0.220 0.000 1.163 144 P CA 1.438 64.627 63.100 0.147 0.000 0.889 144 P CB 0.259 32.023 31.700 0.107 0.000 0.790 145 D N -3.500 117.120 120.400 0.367 0.000 2.714 145 D HA 0.130 4.863 4.640 0.155 0.000 0.264 145 D C -1.185 175.281 176.300 0.276 0.000 1.231 145 D CA -0.796 53.374 54.000 0.284 0.000 0.802 145 D CB -0.824 40.092 40.800 0.194 0.000 1.319 145 D HN 0.068 nan 8.370 nan 0.000 0.528 146 Y N 1.157 121.443 120.300 -0.023 0.000 2.409 146 Y HA 0.719 5.361 4.550 0.154 0.000 0.339 146 Y C -0.882 174.995 175.900 -0.040 0.000 1.033 146 Y CA -0.861 57.062 58.100 -0.294 0.000 1.094 146 Y CB 1.349 39.256 38.460 -0.922 0.000 1.210 146 Y HN 0.058 nan 8.280 nan 0.000 0.456 147 R N 6.387 126.345 120.500 -0.903 0.000 2.533 147 R HA 0.372 4.805 4.340 0.155 0.000 0.288 147 R C -2.994 172.668 176.300 -1.063 0.000 1.039 147 R CA -1.853 53.810 56.100 -0.729 0.000 0.909 147 R CB 1.863 31.938 30.300 -0.375 0.000 1.195 147 R HN 0.552 nan 8.270 nan 0.000 0.438 148 P HA 0.470 nan 4.420 nan 0.000 0.281 148 P C -2.562 174.579 177.300 -0.264 0.000 1.281 148 P CA -1.424 61.375 63.100 -0.501 0.000 0.811 148 P CB 0.487 32.089 31.700 -0.164 0.000 1.154 149 P HA 0.420 nan 4.420 nan 0.000 0.303 149 P C -1.162 176.136 177.300 -0.002 0.000 1.350 149 P CA -0.357 62.710 63.100 -0.054 0.000 0.880 149 P CB 1.205 32.889 31.700 -0.025 0.000 1.018 150 L N 2.432 123.669 121.223 0.022 0.000 2.301 150 L HA 0.547 4.980 4.340 0.155 0.000 0.264 150 L C 0.479 177.377 176.870 0.047 0.000 1.016 150 L CA -0.868 54.034 54.840 0.104 0.000 0.821 150 L CB 1.680 43.885 42.059 0.244 0.000 1.346 150 L HN 0.383 nan 8.230 nan 0.000 0.429 151 K N 1.187 121.659 120.400 0.121 0.000 2.323 151 K HA 0.492 4.905 4.320 0.155 0.000 0.259 151 K C -1.258 175.512 176.600 0.284 0.000 0.947 151 K CA -0.477 55.850 56.287 0.067 0.000 0.819 151 K CB 1.976 34.513 32.500 0.062 0.000 1.109 151 K HN 0.283 nan 8.250 nan 0.000 0.429 152 W N 1.567 122.886 121.300 0.032 0.000 2.594 152 W HA 0.659 5.410 4.660 0.152 0.000 0.365 152 W C -0.391 176.144 176.519 0.027 0.000 1.196 152 W CA -1.098 56.250 57.345 0.005 0.000 1.258 152 W CB 0.572 29.992 29.460 -0.068 0.000 1.405 152 W HN 0.127 nan 8.180 nan 0.000 0.640 153 V N 1.222 121.299 119.914 0.271 0.000 2.733 153 V HA 0.466 4.679 4.120 0.155 0.000 0.306 153 V C -0.694 175.409 176.094 0.016 0.000 1.084 153 V CA -0.640 61.728 62.300 0.113 0.000 0.905 153 V CB 1.980 33.798 31.823 -0.009 0.000 1.010 153 V HN 0.535 nan 8.190 nan 0.000 0.424 154 S N 6.245 121.926 115.700 -0.032 0.000 2.489 154 S HA 0.768 5.331 4.470 0.155 0.000 0.291 154 S C -0.760 173.778 174.600 -0.103 0.000 1.151 154 S CA -0.455 57.703 58.200 -0.070 0.000 1.082 154 S CB 0.942 64.113 63.200 -0.049 0.000 1.019 154 S HN 0.674 nan 8.310 nan 0.000 0.492 155 I N 2.875 123.405 120.570 -0.068 0.000 2.828 155 I HA 0.572 4.835 4.170 0.155 0.000 0.302 155 I C -1.462 174.648 176.117 -0.013 0.000 1.101 155 I CA -0.571 60.691 61.300 -0.064 0.000 1.031 155 I CB 2.329 40.316 38.000 -0.023 0.000 1.231 155 I HN 0.708 nan 8.210 nan 0.000 0.427 156 D N 5.256 125.648 120.400 -0.013 0.000 2.717 156 D HA 0.577 5.310 4.640 0.155 0.000 0.223 156 D C -1.555 174.777 176.300 0.053 0.000 1.240 156 D CA -0.346 53.677 54.000 0.038 0.000 0.801 156 D CB 2.190 42.980 40.800 -0.016 0.000 1.556 156 D HN 0.466 nan 8.370 nan 0.000 0.462 157 I N -1.111 119.539 120.570 0.134 0.000 2.769 157 I HA 0.721 4.984 4.170 0.155 0.000 0.298 157 I C -1.139 175.109 176.117 0.219 0.000 1.128 157 I CA -0.740 60.638 61.300 0.129 0.000 1.031 157 I CB 2.308 40.349 38.000 0.069 0.000 1.235 157 I HN 0.035 nan 8.210 nan 0.000 0.423 158 E N 3.746 124.070 120.200 0.206 0.000 2.199 158 E HA 0.634 5.077 4.350 0.155 0.000 0.269 158 E C -0.678 176.021 176.600 0.165 0.000 0.899 158 E CA -0.400 56.148 56.400 0.246 0.000 0.772 158 E CB 2.445 32.333 29.700 0.313 0.000 1.155 158 E HN 0.889 nan 8.360 nan 0.000 0.408 159 T N -1.668 112.930 114.554 0.074 0.000 2.738 159 T HA 0.457 4.900 4.350 0.155 0.000 0.292 159 T C 0.422 174.875 174.700 -0.410 0.000 1.122 159 T CA -0.693 61.284 62.100 -0.205 0.000 1.016 159 T CB 1.122 69.996 68.868 0.010 0.000 1.359 159 T HN 0.136 nan 8.240 nan 0.000 0.515 160 T N 0.656 114.880 114.554 -0.550 0.000 2.748 160 T HA 0.188 4.631 4.350 0.155 0.000 0.304 160 T C 1.748 176.417 174.700 -0.052 0.000 1.041 160 T CA -0.406 61.473 62.100 -0.368 0.000 1.033 160 T CB 0.306 69.015 68.868 -0.264 0.000 0.995 160 T HN 0.632 nan 8.240 nan 0.000 0.536 161 R N 0.209 120.744 120.500 0.058 0.000 2.148 161 R HA -0.036 4.398 4.340 0.155 0.000 0.227 161 R C 1.652 178.045 176.300 0.156 0.000 1.103 161 R CA 1.229 57.409 56.100 0.132 0.000 0.983 161 R CB -0.229 30.191 30.300 0.199 0.000 0.874 161 R HN 0.673 nan 8.270 nan 0.000 0.451 162 H N -0.521 118.530 119.070 -0.032 0.000 2.526 162 H HA 0.164 4.813 4.556 0.155 0.000 0.274 162 H C 0.959 176.271 175.328 -0.027 0.000 0.999 162 H CA 0.174 56.205 56.048 -0.029 0.000 1.157 162 H CB 0.839 30.575 29.762 -0.043 0.000 1.407 162 H HN 0.560 nan 8.280 nan 0.000 0.568 163 G N 1.573 110.436 108.800 0.106 0.000 2.199 163 G HA2 -0.273 3.780 3.960 0.155 0.000 0.254 163 G HA3 -0.273 3.780 3.960 0.155 0.000 0.254 163 G C 0.119 175.061 174.900 0.070 0.000 0.982 163 G CA 0.038 45.187 45.100 0.082 0.000 0.632 163 G HN 0.436 nan 8.290 nan 0.000 0.529 164 E N -0.170 120.044 120.200 0.024 0.000 2.408 164 E HA 0.458 4.902 4.350 0.155 0.000 0.259 164 E C 0.209 176.815 176.600 0.010 0.000 1.110 164 E CA -0.678 55.780 56.400 0.097 0.000 0.929 164 E CB 0.730 30.429 29.700 -0.001 0.000 0.971 164 E HN 0.091 nan 8.360 nan 0.000 0.438 165 L N 2.366 123.676 121.223 0.145 0.000 2.371 165 L HA 0.046 4.480 4.340 0.155 0.000 0.272 165 L C -0.029 176.915 176.870 0.124 0.000 1.124 165 L CA 0.598 55.459 54.840 0.036 0.000 0.816 165 L CB 0.275 42.350 42.059 0.026 0.000 1.129 165 L HN 0.607 nan 8.230 nan 0.000 0.448 166 Y N 1.433 121.807 120.300 0.123 0.000 2.664 166 Y HA 0.251 4.892 4.550 0.153 0.000 0.278 166 Y C 0.764 176.823 175.900 0.265 0.000 1.130 166 Y CA -0.670 57.567 58.100 0.229 0.000 1.260 166 Y CB 0.164 38.770 38.460 0.243 0.000 1.369 166 Y HN 0.652 nan 8.280 nan 0.000 0.499 167 C N -0.754 118.746 119.300 0.334 0.000 3.321 167 C HA 0.783 5.336 4.460 0.155 0.000 0.329 167 C C -0.848 174.230 174.990 0.146 0.000 1.394 167 C CA -1.522 57.632 59.018 0.226 0.000 1.291 167 C CB 1.195 29.059 27.740 0.207 0.000 1.606 167 C HN 0.089 nan 8.230 nan 0.000 0.463 168 I N 1.480 122.131 120.570 0.135 0.000 2.498 168 I HA 0.641 4.904 4.170 0.155 0.000 0.290 168 I C 0.386 176.544 176.117 0.068 0.000 1.032 168 I CA -0.248 61.101 61.300 0.080 0.000 1.073 168 I CB 2.105 40.133 38.000 0.046 0.000 1.251 168 I HN 1.093 nan 8.210 nan 0.000 0.426 169 G N 6.636 115.422 108.800 -0.022 0.000 2.470 169 G HA2 0.764 4.818 3.960 0.155 0.000 0.320 169 G HA3 0.764 4.818 3.960 0.155 0.000 0.320 169 G C -1.286 173.502 174.900 -0.187 0.000 1.245 169 G CA -0.383 44.652 45.100 -0.109 0.000 0.935 169 G HN 0.385 nan 8.290 nan 0.000 0.476 170 L N 1.629 122.685 121.223 -0.278 0.000 2.376 170 L HA 0.534 4.967 4.340 0.155 0.000 0.275 170 L C -0.220 176.469 176.870 -0.301 0.000 0.987 170 L CA -0.581 53.997 54.840 -0.435 0.000 0.828 170 L CB 2.494 43.979 42.059 -0.957 0.000 1.249 170 L HN 0.428 nan 8.230 nan 0.000 0.409 171 E N 2.680 122.759 120.200 -0.202 0.000 2.216 171 E HA 0.726 5.169 4.350 0.155 0.000 0.260 171 E C -0.672 175.930 176.600 0.004 0.000 0.880 171 E CA -0.345 56.006 56.400 -0.082 0.000 0.765 171 E CB 2.143 31.795 29.700 -0.080 0.000 1.174 171 E HN 0.777 nan 8.360 nan 0.000 0.417 172 G N 1.249 110.101 108.800 0.087 0.000 2.361 172 G HA2 0.022 4.075 3.960 0.155 0.000 0.305 172 G HA3 0.022 4.075 3.960 0.155 0.000 0.305 172 G C -0.271 174.766 174.900 0.228 0.000 1.367 172 G CA -0.241 44.945 45.100 0.143 0.000 0.951 172 G HN 0.649 nan 8.290 nan 0.000 0.615 173 C N -0.253 119.146 119.300 0.164 0.000 4.356 173 C HA 0.116 4.670 4.460 0.155 0.000 0.296 173 C C 2.165 177.237 174.990 0.136 0.000 1.424 173 C CA 1.652 60.757 59.018 0.146 0.000 2.000 173 C CB -1.703 26.146 27.740 0.182 0.000 1.262 173 C HN 3.003 nan 8.230 nan 0.000 0.789 174 G N -0.192 108.658 108.800 0.084 0.000 2.249 174 G HA2 -0.231 3.822 3.960 0.155 0.000 0.273 174 G HA3 -0.231 3.822 3.960 0.155 0.000 0.273 174 G C -0.200 174.752 174.900 0.088 0.000 1.036 174 G CA 0.951 46.090 45.100 0.064 0.000 0.824 174 G HN 0.829 nan 8.290 nan 0.000 0.504 175 Q N -1.365 118.501 119.800 0.110 0.000 2.456 175 Q HA 0.683 5.116 4.340 0.155 0.000 0.283 175 Q C -0.014 176.029 176.000 0.073 0.000 1.084 175 Q CA -0.918 54.945 55.803 0.100 0.000 0.801 175 Q CB 1.894 30.696 28.738 0.107 0.000 1.434 175 Q HN 0.422 nan 8.270 nan 0.000 0.419 176 R N 1.081 121.609 120.500 0.046 0.000 2.928 176 R HA 0.452 4.885 4.340 0.155 0.000 0.248 176 R C -0.766 175.539 176.300 0.007 0.000 1.796 176 R CA -0.091 56.009 56.100 -0.001 0.000 1.477 176 R CB 0.844 31.161 30.300 0.028 0.000 1.484 176 R HN 0.571 nan 8.270 nan 0.000 0.623 177 I N 0.239 120.767 120.570 -0.069 0.000 2.797 177 I HA 0.640 4.903 4.170 0.155 0.000 0.307 177 I C -1.015 174.966 176.117 -0.226 0.000 1.033 177 I CA -1.129 60.098 61.300 -0.121 0.000 1.071 177 I CB 1.986 39.863 38.000 -0.205 0.000 1.255 177 I HN 0.051 nan 8.210 nan 0.000 0.445 178 V N 5.211 124.977 119.914 -0.247 0.000 2.962 178 V HA 0.481 4.694 4.120 0.155 0.000 0.313 178 V C -1.481 174.395 176.094 -0.364 0.000 1.099 178 V CA -0.467 61.708 62.300 -0.208 0.000 0.971 178 V CB 2.161 33.929 31.823 -0.092 0.000 1.028 178 V HN 0.579 nan 8.190 nan 0.000 0.430 179 Y N 3.431 123.696 120.300 -0.057 0.000 2.364 179 Y HA 0.691 5.309 4.550 0.113 0.000 0.340 179 Y C 0.214 176.086 175.900 -0.046 0.000 0.975 179 Y CA -0.679 57.391 58.100 -0.050 0.000 1.089 179 Y CB 1.968 40.418 38.460 -0.017 0.000 1.192 179 Y HN 0.347 nan 8.280 nan 0.000 0.454 180 M N 2.920 122.535 119.600 0.026 0.000 2.761 180 M HA 0.428 5.001 4.480 0.155 0.000 0.305 180 M C -1.464 174.940 176.300 0.173 0.000 1.235 180 M CA -1.130 54.180 55.300 0.017 0.000 0.850 180 M CB 2.268 34.663 32.600 -0.342 0.000 1.744 180 M HN 0.643 nan 8.290 nan 0.000 0.480 181 L N 1.038 122.418 121.223 0.261 0.000 2.282 181 L HA 0.682 5.115 4.340 0.155 0.000 0.288 181 L C 0.335 177.368 176.870 0.273 0.000 1.033 181 L CA 0.011 55.027 54.840 0.293 0.000 0.807 181 L CB 1.187 43.476 42.059 0.383 0.000 1.209 181 L HN 0.749 nan 8.230 nan 0.000 0.423 182 G N 4.681 113.626 108.800 0.242 0.000 2.716 182 G HA2 0.331 4.385 3.960 0.155 0.000 0.251 182 G HA3 0.331 4.385 3.960 0.155 0.000 0.251 182 G C -2.550 172.365 174.900 0.025 0.000 1.224 182 G CA -0.787 44.370 45.100 0.096 0.000 0.891 182 G HN 0.582 nan 8.290 nan 0.000 0.561 183 P HA 0.162 nan 4.420 nan 0.000 0.276 183 P C 0.109 177.160 177.300 -0.416 0.000 1.244 183 P CA -0.489 62.485 63.100 -0.210 0.000 0.801 183 P CB 0.811 32.420 31.700 -0.151 0.000 1.006 184 E N 2.538 122.293 120.200 -0.741 0.000 2.418 184 E HA 0.057 4.501 4.350 0.155 0.000 0.261 184 E C -0.596 175.743 176.600 -0.435 0.000 1.070 184 E CA 0.017 55.753 56.400 -1.106 0.000 0.931 184 E CB 0.249 29.359 29.700 -0.983 0.000 0.954 184 E HN 0.478 nan 8.360 nan 0.000 0.439 185 N N 1.714 120.271 118.700 -0.239 0.000 2.745 185 N HA 0.416 5.249 4.740 0.155 0.000 0.256 185 N C -0.379 175.101 175.510 -0.050 0.000 1.268 185 N CA 0.353 53.323 53.050 -0.133 0.000 0.887 185 N CB 1.142 39.543 38.487 -0.144 0.000 1.575 185 N HN 0.839 nan 8.380 nan 0.000 0.496 186 G N 1.009 109.783 108.800 -0.043 0.000 2.615 186 G HA2 0.015 4.069 3.960 0.155 0.000 0.218 186 G HA3 0.015 4.069 3.960 0.155 0.000 0.218 186 G C -1.701 173.191 174.900 -0.012 0.000 1.339 186 G CA 0.052 45.142 45.100 -0.017 0.000 0.884 186 G HN 1.015 nan 8.290 nan 0.000 0.559 187 D N -0.283 120.114 120.400 -0.005 0.000 2.593 187 D HA 0.739 5.473 4.640 0.155 0.000 0.251 187 D C 0.557 176.847 176.300 -0.016 0.000 1.140 187 D CA 0.508 54.501 54.000 -0.012 0.000 0.855 187 D CB 1.239 42.029 40.800 -0.017 0.000 1.267 187 D HN 1.176 nan 8.370 nan 0.000 0.532 188 A N 2.501 125.308 122.820 -0.022 0.000 2.503 188 A HA 0.202 4.615 4.320 0.155 0.000 0.263 188 A C 1.554 179.082 177.584 -0.093 0.000 1.258 188 A CA -0.147 51.853 52.037 -0.061 0.000 0.936 188 A CB 0.078 19.057 19.000 -0.034 0.000 1.070 188 A HN 0.445 nan 8.150 nan 0.000 0.522 189 S N 0.217 115.878 115.700 -0.065 0.000 2.419 189 S HA -0.090 4.474 4.470 0.155 0.000 0.233 189 S C 1.552 176.102 174.600 -0.084 0.000 1.016 189 S CA 1.612 59.773 58.200 -0.065 0.000 0.974 189 S CB -0.044 63.129 63.200 -0.045 0.000 0.786 189 S HN 0.505 nan 8.310 nan 0.000 0.492 190 S N 0.949 116.596 115.700 -0.089 0.000 2.660 190 S HA 0.358 4.921 4.470 0.155 0.000 0.227 190 S C 0.219 174.748 174.600 -0.118 0.000 0.948 190 S CA -0.132 58.017 58.200 -0.085 0.000 0.948 190 S CB -0.151 63.017 63.200 -0.053 0.000 0.779 190 S HN 0.304 nan 8.310 nan 0.000 0.487 191 L N 1.402 122.496 121.223 -0.216 0.000 2.344 191 L HA 0.416 4.849 4.340 0.155 0.000 0.272 191 L C 0.507 177.213 176.870 -0.273 0.000 1.035 191 L CA -0.625 54.011 54.840 -0.341 0.000 0.807 191 L CB 0.817 42.385 42.059 -0.817 0.000 1.237 191 L HN 0.107 nan 8.230 nan 0.000 0.442 192 D N 1.136 121.456 120.400 -0.134 0.000 2.325 192 D HA 0.117 4.850 4.640 0.155 0.000 0.225 192 D C -0.246 176.095 176.300 0.069 0.000 1.096 192 D CA 0.348 54.343 54.000 -0.008 0.000 0.844 192 D CB 0.018 40.864 40.800 0.076 0.000 0.925 192 D HN 0.281 nan 8.370 nan 0.000 0.513 193 F N -0.512 119.411 119.950 -0.044 0.000 2.650 193 F HA 0.538 5.148 4.527 0.140 0.000 0.320 193 F C -0.373 175.382 175.800 -0.075 0.000 1.091 193 F CA -1.545 56.419 58.000 -0.059 0.000 0.962 193 F CB 0.879 39.837 39.000 -0.070 0.000 1.363 193 F HN -0.385 nan 8.300 nan 0.000 0.482 194 E N 1.407 121.681 120.200 0.123 0.000 2.331 194 E HA 0.479 4.922 4.350 0.155 0.000 0.272 194 E C -1.444 175.165 176.600 0.015 0.000 1.036 194 E CA -0.741 55.649 56.400 -0.017 0.000 0.864 194 E CB 2.070 31.749 29.700 -0.034 0.000 1.035 194 E HN 0.603 nan 8.360 nan 0.000 0.408 195 L N 1.832 122.980 121.223 -0.124 0.000 2.439 195 L HA 0.334 4.767 4.340 0.155 0.000 0.270 195 L C -1.322 175.413 176.870 -0.224 0.000 0.972 195 L CA -0.215 54.526 54.840 -0.164 0.000 0.836 195 L CB 1.865 43.809 42.059 -0.192 0.000 1.255 195 L HN 0.627 nan 8.230 nan 0.000 0.404 196 E N 3.823 123.844 120.200 -0.299 0.000 2.241 196 E HA 0.372 4.815 4.350 0.155 0.000 0.263 196 E C -1.651 174.873 176.600 -0.126 0.000 0.882 196 E CA -0.595 55.711 56.400 -0.156 0.000 0.769 196 E CB 1.089 30.710 29.700 -0.133 0.000 1.185 196 E HN 0.584 nan 8.360 nan 0.000 0.415 197 Y N 1.882 122.208 120.300 0.043 0.000 2.300 197 Y HA 0.444 5.089 4.550 0.158 0.000 0.328 197 Y C 0.148 176.107 175.900 0.099 0.000 1.270 197 Y CA -0.191 57.946 58.100 0.062 0.000 1.352 197 Y CB 1.403 39.875 38.460 0.020 0.000 1.286 197 Y HN 0.296 nan 8.280 nan 0.000 0.536 198 V N 0.853 120.944 119.914 0.295 0.000 2.925 198 V HA 0.423 4.636 4.120 0.155 0.000 0.311 198 V C 0.367 176.557 176.094 0.160 0.000 1.104 198 V CA -0.518 61.901 62.300 0.199 0.000 0.954 198 V CB 1.802 33.729 31.823 0.172 0.000 1.022 198 V HN 0.932 nan 8.190 nan 0.000 0.427 199 A N 2.455 125.338 122.820 0.105 0.000 1.929 199 A HA 0.180 4.593 4.320 0.155 0.000 0.216 199 A C 1.128 178.751 177.584 0.066 0.000 1.176 199 A CA 1.596 53.676 52.037 0.073 0.000 0.628 199 A CB -0.032 18.995 19.000 0.046 0.000 0.816 199 A HN 1.029 nan 8.150 nan 0.000 0.444 200 S N -2.923 112.808 115.700 0.052 0.000 2.618 200 S HA 0.522 5.085 4.470 0.155 0.000 0.277 200 S C 0.523 175.131 174.600 0.013 0.000 1.138 200 S CA -0.585 57.627 58.200 0.019 0.000 0.844 200 S CB 1.110 64.281 63.200 -0.047 0.000 1.127 200 S HN 0.314 nan 8.310 nan 0.000 0.474 201 R N 0.793 121.289 120.500 -0.008 0.000 2.075 201 R HA 0.057 4.490 4.340 0.155 0.000 0.232 201 R C -1.033 175.216 176.300 -0.086 0.000 1.126 201 R CA 1.606 57.721 56.100 0.025 0.000 0.963 201 R CB -1.317 29.069 30.300 0.144 0.000 0.858 201 R HN 0.520 nan 8.270 nan 0.000 0.435 202 P HA -0.173 nan 4.420 nan 0.000 0.216 202 P C 0.809 178.042 177.300 -0.110 0.000 1.150 202 P CA 1.466 64.366 63.100 -0.335 0.000 0.843 202 P CB 0.047 31.477 31.700 -0.450 0.000 0.787 203 Q N -1.491 118.262 119.800 -0.077 0.000 2.311 203 Q HA -0.011 4.422 4.340 0.155 0.000 0.203 203 Q C 2.090 178.067 176.000 -0.037 0.000 0.954 203 Q CA 0.597 56.382 55.803 -0.030 0.000 0.885 203 Q CB -0.443 28.297 28.738 0.003 0.000 0.963 203 Q HN 0.270 nan 8.270 nan 0.000 0.471 204 L N -0.094 121.113 121.223 -0.027 0.000 1.994 204 L HA -0.216 4.218 4.340 0.155 0.000 0.208 204 L C 1.877 178.684 176.870 -0.106 0.000 1.071 204 L CA 0.778 55.588 54.840 -0.051 0.000 0.745 204 L CB -0.313 41.752 42.059 0.010 0.000 0.892 204 L HN 0.315 nan 8.230 nan 0.000 0.431 205 L N 0.149 121.346 121.223 -0.044 0.000 1.994 205 L HA -0.243 4.190 4.340 0.155 0.000 0.208 205 L C 2.632 179.479 176.870 -0.038 0.000 1.071 205 L CA 2.204 57.027 54.840 -0.028 0.000 0.745 205 L CB -1.625 40.461 42.059 0.045 0.000 0.892 205 L HN 0.474 nan 8.230 nan 0.000 0.431 206 E N -0.593 119.593 120.200 -0.024 0.000 2.160 206 E HA -0.248 4.195 4.350 0.155 0.000 0.195 206 E C 1.951 178.535 176.600 -0.026 0.000 0.991 206 E CA 1.106 57.501 56.400 -0.008 0.000 0.810 206 E CB -0.144 29.557 29.700 0.002 0.000 0.742 206 E HN 0.267 nan 8.360 nan 0.000 0.466 207 K N 0.423 120.757 120.400 -0.111 0.000 2.148 207 K HA -0.097 4.316 4.320 0.155 0.000 0.204 207 K C 2.170 178.642 176.600 -0.214 0.000 1.050 207 K CA 0.748 56.910 56.287 -0.209 0.000 0.942 207 K CB -0.328 31.864 32.500 -0.513 0.000 0.724 207 K HN 0.243 nan 8.250 nan 0.000 0.446 208 L N 2.000 123.103 121.223 -0.200 0.000 2.027 208 L HA -0.112 4.322 4.340 0.155 0.000 0.206 208 L C 1.570 178.586 176.870 0.243 0.000 1.074 208 L CA 1.747 56.581 54.840 -0.011 0.000 0.745 208 L CB -0.872 41.170 42.059 -0.028 0.000 0.898 208 L HN 0.085 nan 8.230 nan 0.000 0.433 209 N N 0.433 119.213 118.700 0.135 0.000 2.094 209 N HA -0.191 4.642 4.740 0.155 0.000 0.191 209 N C 1.824 177.484 175.510 0.250 0.000 1.023 209 N CA 1.707 54.854 53.050 0.162 0.000 0.857 209 N CB -0.480 38.050 38.487 0.073 0.000 1.013 209 N HN 0.561 nan 8.380 nan 0.000 0.426 210 A N -0.058 122.886 122.820 0.207 0.000 1.877 210 A HA -0.158 4.256 4.320 0.155 0.000 0.216 210 A C 2.221 179.993 177.584 0.314 0.000 1.186 210 A CA 1.329 53.493 52.037 0.212 0.000 0.620 210 A CB -1.253 17.846 19.000 0.165 0.000 0.822 210 A HN 0.532 nan 8.150 nan 0.000 0.443 211 W N -0.479 120.926 121.300 0.176 0.000 2.338 211 W HA -0.225 4.492 4.660 0.094 0.000 0.304 211 W C 1.798 178.454 176.519 0.229 0.000 1.212 211 W CA 2.018 59.479 57.345 0.194 0.000 1.264 211 W CB -0.374 29.119 29.460 0.054 0.000 1.142 211 W HN 0.313 nan 8.180 nan 0.000 0.512 212 F N 0.395 120.672 119.950 0.545 0.000 2.134 212 F HA -0.211 4.411 4.527 0.159 0.000 0.299 212 F C 2.565 178.451 175.800 0.144 0.000 1.097 212 F CA 2.309 60.545 58.000 0.393 0.000 1.264 212 F CB -1.149 38.016 39.000 0.275 0.000 1.001 212 F HN -0.029 nan 8.300 nan 0.000 0.479 213 A N -0.158 122.832 122.820 0.283 0.000 1.877 213 A HA -0.248 4.165 4.320 0.155 0.000 0.216 213 A C 2.137 179.723 177.584 0.004 0.000 1.186 213 A CA 2.029 54.142 52.037 0.127 0.000 0.620 213 A CB -0.951 18.111 19.000 0.104 0.000 0.822 213 A HN 0.426 nan 8.150 nan 0.000 0.443 214 N N -1.071 117.604 118.700 -0.042 0.000 2.080 214 N HA -0.132 4.701 4.740 0.155 0.000 0.189 214 N C 1.594 176.754 175.510 -0.584 0.000 1.036 214 N CA 1.908 54.788 53.050 -0.284 0.000 0.846 214 N CB -0.485 37.823 38.487 -0.299 0.000 1.015 214 N HN 0.575 nan 8.380 nan 0.000 0.423 215 Y N 0.115 120.071 120.300 -0.573 0.000 2.286 215 Y HA 0.060 4.680 4.550 0.116 0.000 0.293 215 Y C 0.287 175.943 175.900 -0.407 0.000 1.124 215 Y CA 0.667 58.339 58.100 -0.713 0.000 1.178 215 Y CB 0.081 37.566 38.460 -1.625 0.000 1.010 215 Y HN -0.011 nan 8.280 nan 0.000 0.536 216 D N -0.599 119.711 120.400 -0.150 0.000 2.760 216 D HA -0.115 4.618 4.640 0.155 0.000 0.244 216 D C -2.760 173.565 176.300 0.042 0.000 1.123 216 D CA 0.011 54.003 54.000 -0.012 0.000 0.719 216 D CB -0.586 40.199 40.800 -0.025 0.000 1.045 216 D HN 0.149 nan 8.370 nan 0.000 0.426 217 P HA 0.066 nan 4.420 nan 0.000 0.268 217 P C 0.636 178.035 177.300 0.166 0.000 1.208 217 P CA -0.016 63.177 63.100 0.154 0.000 0.777 217 P CB 0.627 32.434 31.700 0.177 0.000 0.875 218 D N -0.171 120.341 120.400 0.187 0.000 2.366 218 D HA 0.098 4.831 4.640 0.155 0.000 0.205 218 D C 0.187 176.587 176.300 0.167 0.000 1.022 218 D CA 0.801 54.904 54.000 0.172 0.000 0.868 218 D CB 0.547 41.458 40.800 0.184 0.000 0.953 218 D HN 0.082 nan 8.370 nan 0.000 0.514 219 V N 1.104 121.128 119.914 0.184 0.000 3.049 219 V HA 0.422 4.635 4.120 0.155 0.000 0.309 219 V C -0.560 175.574 176.094 0.067 0.000 1.148 219 V CA -0.838 61.505 62.300 0.072 0.000 0.990 219 V CB 3.197 34.969 31.823 -0.086 0.000 1.039 219 V HN -0.149 nan 8.190 nan 0.000 0.430 220 I N 4.751 125.328 120.570 0.012 0.000 2.410 220 I HA 0.559 4.822 4.170 0.155 0.000 0.286 220 I C -0.411 175.650 176.117 -0.093 0.000 1.009 220 I CA -0.410 60.906 61.300 0.027 0.000 1.111 220 I CB 1.532 39.587 38.000 0.093 0.000 1.262 220 I HN 0.616 nan 8.210 nan 0.000 0.443 221 I N 2.594 123.050 120.570 -0.190 0.000 2.910 221 I HA 1.070 5.333 4.170 0.155 0.000 0.310 221 I C 0.072 176.098 176.117 -0.151 0.000 1.043 221 I CA -0.488 60.610 61.300 -0.337 0.000 1.053 221 I CB 2.278 39.691 38.000 -0.978 0.000 1.242 221 I HN 0.620 nan 8.210 nan 0.000 0.452 222 G N 1.573 110.354 108.800 -0.031 0.000 2.321 222 G HA2 0.209 4.262 3.960 0.155 0.000 0.296 222 G HA3 0.209 4.262 3.960 0.155 0.000 0.296 222 G C -2.705 172.381 174.900 0.311 0.000 1.287 222 G CA -0.702 44.477 45.100 0.131 0.000 0.846 222 G HN 0.765 nan 8.290 nan 0.000 0.508 223 W N 1.298 122.628 121.300 0.049 0.000 2.475 223 W HA 0.443 5.195 4.660 0.153 0.000 0.320 223 W C 0.362 176.919 176.519 0.063 0.000 1.022 223 W CA -0.276 57.105 57.345 0.060 0.000 1.240 223 W CB 1.446 30.923 29.460 0.028 0.000 1.328 223 W HN 0.764 nan 8.180 nan 0.000 0.439 224 N N 2.875 121.551 118.700 -0.040 0.000 2.727 224 N HA -0.232 4.602 4.740 0.155 0.000 0.251 224 N C 0.635 176.229 175.510 0.140 0.000 1.040 224 N CA 1.088 54.157 53.050 0.032 0.000 0.712 224 N CB -0.911 37.627 38.487 0.084 0.000 0.912 224 N HN 0.221 nan 8.380 nan 0.000 0.545 225 V N -2.604 117.372 119.914 0.104 0.000 2.323 225 V HA -0.221 3.993 4.120 0.155 0.000 0.244 225 V C 2.158 178.333 176.094 0.135 0.000 1.041 225 V CA 1.842 64.217 62.300 0.126 0.000 1.025 225 V CB -0.863 31.007 31.823 0.078 0.000 0.656 225 V HN 0.313 nan 8.190 nan 0.000 0.451 226 V N -0.921 119.066 119.914 0.121 0.000 2.255 226 V HA -0.167 4.046 4.120 0.155 0.000 0.243 226 V C 2.630 178.865 176.094 0.235 0.000 1.038 226 V CA 1.635 64.056 62.300 0.203 0.000 1.008 226 V CB -1.233 30.679 31.823 0.149 0.000 0.645 226 V HN 0.386 nan 8.190 nan 0.000 0.449 227 Q N -0.846 119.039 119.800 0.141 0.000 2.181 227 Q HA -0.111 4.322 4.340 0.155 0.000 0.205 227 Q C 1.853 177.938 176.000 0.143 0.000 0.980 227 Q CA 2.094 57.958 55.803 0.101 0.000 0.862 227 Q CB -0.319 28.452 28.738 0.056 0.000 0.905 227 Q HN 0.775 nan 8.270 nan 0.000 0.429 228 F N 0.300 120.275 119.950 0.041 0.000 2.539 228 F HA 0.081 4.701 4.527 0.154 0.000 0.277 228 F C 1.510 177.340 175.800 0.051 0.000 0.925 228 F CA 0.252 58.273 58.000 0.034 0.000 1.193 228 F CB 0.069 39.090 39.000 0.035 0.000 1.128 228 F HN -0.132 nan 8.300 nan 0.000 0.740 229 D N 1.264 121.709 120.400 0.074 0.000 2.078 229 D HA -0.157 4.576 4.640 0.155 0.000 0.193 229 D C 2.387 178.640 176.300 -0.078 0.000 0.990 229 D CA 1.975 55.943 54.000 -0.054 0.000 0.827 229 D CB -0.607 40.279 40.800 0.144 0.000 0.975 229 D HN 0.306 nan 8.370 nan 0.000 0.451 230 L N 0.416 121.674 121.223 0.058 0.000 2.044 230 L HA -0.061 4.372 4.340 0.155 0.000 0.205 230 L C 2.738 179.736 176.870 0.213 0.000 1.075 230 L CA 0.647 55.572 54.840 0.141 0.000 0.747 230 L CB -0.384 41.796 42.059 0.201 0.000 0.903 230 L HN -0.022 nan 8.230 nan 0.000 0.435 231 R N 0.495 121.117 120.500 0.204 0.000 2.094 231 R HA -0.256 4.177 4.340 0.155 0.000 0.239 231 R C 2.285 178.481 176.300 -0.174 0.000 1.137 231 R CA 2.164 58.206 56.100 -0.096 0.000 0.943 231 R CB -0.362 29.806 30.300 -0.220 0.000 0.850 231 R HN 0.186 nan 8.270 nan 0.000 0.433 232 M N 0.526 119.994 119.600 -0.220 0.000 2.149 232 M HA -0.161 4.413 4.480 0.155 0.000 0.261 232 M C 1.996 178.258 176.300 -0.064 0.000 1.064 232 M CA 1.259 56.425 55.300 -0.224 0.000 1.102 232 M CB -0.270 32.018 32.600 -0.519 0.000 1.369 232 M HN 0.197 nan 8.290 nan 0.000 0.408 233 L N -0.136 121.018 121.223 -0.115 0.000 2.083 233 L HA -0.211 4.222 4.340 0.155 0.000 0.209 233 L C 2.406 179.300 176.870 0.039 0.000 1.083 233 L CA 1.949 56.735 54.840 -0.090 0.000 0.752 233 L CB -0.934 41.084 42.059 -0.068 0.000 0.899 233 L HN 0.482 nan 8.230 nan 0.000 0.433 234 Q N -0.830 118.994 119.800 0.040 0.000 2.167 234 Q HA -0.210 4.223 4.340 0.155 0.000 0.202 234 Q C 2.122 178.115 176.000 -0.012 0.000 0.970 234 Q CA 1.490 57.312 55.803 0.032 0.000 0.855 234 Q CB 0.067 28.796 28.738 -0.015 0.000 0.911 234 Q HN 0.411 nan 8.270 nan 0.000 0.438 235 K N -0.818 119.568 120.400 -0.024 0.000 2.032 235 K HA -0.209 4.204 4.320 0.155 0.000 0.209 235 K C 1.956 178.454 176.600 -0.169 0.000 1.048 235 K CA 1.719 57.930 56.287 -0.126 0.000 0.927 235 K CB -0.224 32.158 32.500 -0.197 0.000 0.712 235 K HN 0.423 nan 8.250 nan 0.000 0.441 236 H N 0.247 119.209 119.070 -0.180 0.000 2.293 236 H HA -0.032 4.619 4.556 0.158 0.000 0.300 236 H C 2.046 177.267 175.328 -0.179 0.000 1.082 236 H CA 1.491 57.395 56.048 -0.240 0.000 1.308 236 H CB -0.550 29.242 29.762 0.050 0.000 1.375 236 H HN 0.271 nan 8.280 nan 0.000 0.495 237 A N 0.796 123.704 122.820 0.146 0.000 1.902 237 A HA -0.244 4.169 4.320 0.155 0.000 0.217 237 A C 2.257 179.860 177.584 0.032 0.000 1.181 237 A CA 1.866 53.978 52.037 0.127 0.000 0.623 237 A CB -0.552 18.502 19.000 0.090 0.000 0.818 237 A HN 0.572 nan 8.150 nan 0.000 0.443 238 E N -0.979 119.203 120.200 -0.030 0.000 2.153 238 E HA -0.222 4.221 4.350 0.155 0.000 0.194 238 E C 2.029 178.552 176.600 -0.127 0.000 0.988 238 E CA 1.167 57.526 56.400 -0.068 0.000 0.811 238 E CB -0.004 29.638 29.700 -0.097 0.000 0.746 238 E HN 0.335 nan 8.360 nan 0.000 0.466 239 R N -0.783 119.562 120.500 -0.258 0.000 2.276 239 R HA 0.017 4.450 4.340 0.155 0.000 0.196 239 R C 0.285 176.356 176.300 -0.382 0.000 0.961 239 R CA 0.678 56.546 56.100 -0.387 0.000 1.024 239 R CB -0.012 29.928 30.300 -0.600 0.000 0.940 239 R HN 0.248 nan 8.270 nan 0.000 0.480 240 Y N -0.062 120.240 120.300 0.003 0.000 2.584 240 Y HA 0.387 5.031 4.550 0.157 0.000 0.254 240 Y C -0.030 175.876 175.900 0.010 0.000 1.177 240 Y CA -0.648 57.458 58.100 0.011 0.000 1.216 240 Y CB 0.150 38.627 38.460 0.028 0.000 1.172 240 Y HN -0.112 nan 8.280 nan 0.000 0.529 241 R N -0.097 120.460 120.500 0.095 0.000 3.516 241 R HA -0.192 4.241 4.340 0.155 0.000 0.271 241 R C -1.120 175.230 176.300 0.083 0.000 1.098 241 R CA 0.189 56.327 56.100 0.064 0.000 0.732 241 R CB -1.711 28.623 30.300 0.057 0.000 1.152 241 R HN 0.085 nan 8.270 nan 0.000 0.455 242 L N 1.491 122.780 121.223 0.109 0.000 2.313 242 L HA 0.469 4.902 4.340 0.155 0.000 0.283 242 L C -1.788 175.124 176.870 0.070 0.000 1.013 242 L CA -2.344 52.558 54.840 0.102 0.000 0.816 242 L CB 1.257 43.411 42.059 0.158 0.000 1.236 242 L HN -0.112 nan 8.230 nan 0.000 0.419 243 P HA 0.087 nan 4.420 nan 0.000 0.275 243 P C -0.908 176.405 177.300 0.023 0.000 1.227 243 P CA -0.523 62.596 63.100 0.030 0.000 0.781 243 P CB 1.332 33.044 31.700 0.021 0.000 0.906 244 L N 5.021 126.251 121.223 0.011 0.000 2.272 244 L HA 0.299 4.732 4.340 0.155 0.000 0.284 244 L C 0.608 177.438 176.870 -0.067 0.000 1.045 244 L CA -0.309 54.520 54.840 -0.019 0.000 0.842 244 L CB -0.012 42.046 42.059 -0.001 0.000 1.224 244 L HN 0.242 nan 8.230 nan 0.000 0.430 245 R N 6.473 126.927 120.500 -0.077 0.000 2.408 245 R HA 0.309 4.742 4.340 0.155 0.000 0.308 245 R C -0.019 176.148 176.300 -0.222 0.000 1.210 245 R CA -0.202 55.838 56.100 -0.101 0.000 1.115 245 R CB 0.458 30.736 30.300 -0.036 0.000 1.127 245 R HN 0.650 nan 8.270 nan 0.000 0.523 246 L N 1.110 122.136 121.223 -0.328 0.000 2.959 246 L HA 0.293 4.726 4.340 0.155 0.000 0.259 246 L C 0.822 177.481 176.870 -0.351 0.000 1.185 246 L CA -0.220 54.237 54.840 -0.638 0.000 0.998 246 L CB 0.865 42.499 42.059 -0.708 0.000 1.337 246 L HN 0.551 nan 8.230 nan 0.000 0.555 247 G N 0.028 108.704 108.800 -0.206 0.000 2.432 247 G HA2 0.557 4.610 3.960 0.155 0.000 0.331 247 G HA3 0.557 4.610 3.960 0.155 0.000 0.331 247 G C -0.593 174.201 174.900 -0.176 0.000 1.170 247 G CA -0.566 44.427 45.100 -0.178 0.000 0.943 247 G HN 0.010 nan 8.290 nan 0.000 0.483 248 R N 0.376 120.684 120.500 -0.319 0.000 2.679 248 R HA 0.208 4.641 4.340 0.155 0.000 0.268 248 R C 0.309 176.472 176.300 -0.229 0.000 1.044 248 R CA 0.493 56.341 56.100 -0.419 0.000 1.105 248 R CB 0.245 29.906 30.300 -1.065 0.000 0.989 248 R HN 0.696 nan 8.270 nan 0.000 0.447 249 D N 1.897 122.262 120.400 -0.059 0.000 3.017 249 D HA -0.243 4.490 4.640 0.155 0.000 0.220 249 D C -1.071 175.242 176.300 0.020 0.000 1.141 249 D CA 0.908 54.949 54.000 0.068 0.000 0.848 249 D CB -1.065 39.835 40.800 0.166 0.000 1.102 249 D HN 0.971 nan 8.370 nan 0.000 0.427 250 N N -0.311 118.388 118.700 -0.002 0.000 2.705 250 N HA -0.226 4.607 4.740 0.155 0.000 0.255 250 N C 0.046 175.544 175.510 -0.020 0.000 1.008 250 N CA 0.871 53.921 53.050 -0.000 0.000 0.742 250 N CB -0.571 37.929 38.487 0.022 0.000 0.906 250 N HN 0.322 nan 8.380 nan 0.000 0.541 251 S N -0.110 115.557 115.700 -0.054 0.000 2.598 251 S HA 0.319 4.882 4.470 0.155 0.000 0.267 251 S C 0.072 174.630 174.600 -0.069 0.000 1.189 251 S CA -0.091 58.071 58.200 -0.064 0.000 1.010 251 S CB 1.097 64.237 63.200 -0.101 0.000 1.084 251 S HN 0.266 nan 8.310 nan 0.000 0.541 252 E N 0.275 120.433 120.200 -0.071 0.000 2.272 252 E HA 0.337 4.780 4.350 0.155 0.000 0.269 252 E C -1.428 175.122 176.600 -0.082 0.000 0.877 252 E CA -0.771 55.592 56.400 -0.062 0.000 0.755 252 E CB 1.762 31.448 29.700 -0.024 0.000 1.192 252 E HN 0.432 nan 8.360 nan 0.000 0.422 253 L N 3.824 124.990 121.223 -0.095 0.000 2.540 253 L HA 0.000 4.434 4.340 0.155 0.000 0.276 253 L C -0.042 176.780 176.870 -0.079 0.000 1.212 253 L CA 0.973 55.726 54.840 -0.146 0.000 0.893 253 L CB 0.025 42.016 42.059 -0.113 0.000 1.138 253 L HN 0.517 nan 8.230 nan 0.000 0.491 254 E N 3.189 123.286 120.200 -0.171 0.000 2.336 254 E HA 0.519 4.962 4.350 0.155 0.000 0.267 254 E C -1.459 175.039 176.600 -0.169 0.000 0.906 254 E CA -0.915 55.469 56.400 -0.028 0.000 0.781 254 E CB 1.017 30.713 29.700 -0.007 0.000 1.261 254 E HN 0.503 nan 8.360 nan 0.000 0.436 266 F N 0.649 120.800 119.950 0.335 0.000 2.695 266 F HA 0.909 5.529 4.527 0.154 0.000 0.392 266 F C 0.556 176.348 175.800 -0.013 0.000 1.209 266 F CA -0.582 57.512 58.000 0.156 0.000 1.138 266 F CB 1.590 40.618 39.000 0.047 0.000 1.557 266 F HN 0.463 nan 8.300 nan 0.000 0.496 267 A N 0.359 123.119 122.820 -0.101 0.000 2.594 267 A HA 0.645 5.058 4.320 0.155 0.000 0.296 267 A C -1.836 175.530 177.584 -0.363 0.000 1.061 267 A CA -0.615 51.005 52.037 -0.695 0.000 0.689 267 A CB 1.930 19.996 19.000 -1.557 0.000 1.280 267 A HN 0.490 nan 8.150 nan 0.000 0.406 268 Q N -0.079 119.504 119.800 -0.363 0.000 2.315 268 Q HA 0.671 5.104 4.340 0.155 0.000 0.273 268 Q C -0.974 174.902 176.000 -0.207 0.000 1.053 268 Q CA -0.439 55.245 55.803 -0.198 0.000 0.817 268 Q CB 2.493 31.169 28.738 -0.103 0.000 1.326 268 Q HN 1.321 nan 8.270 nan 0.000 0.423 269 A N 2.125 124.855 122.820 -0.151 0.000 2.365 269 A HA 0.637 5.050 4.320 0.155 0.000 0.318 269 A C -0.641 176.894 177.584 -0.081 0.000 1.091 269 A CA -0.754 51.195 52.037 -0.147 0.000 0.763 269 A CB 1.000 19.904 19.000 -0.160 0.000 1.248 269 A HN 0.660 nan 8.150 nan 0.000 0.442 270 K N 0.937 121.282 120.400 -0.091 0.000 2.205 270 K HA 0.580 4.993 4.320 0.155 0.000 0.279 270 K C 0.793 177.215 176.600 -0.297 0.000 1.027 270 K CA 0.437 56.705 56.287 -0.033 0.000 0.932 270 K CB 0.944 33.386 32.500 -0.097 0.000 1.032 270 K HN 1.909 nan 8.250 nan 0.000 0.466 271 G N 2.021 110.686 108.800 -0.224 0.000 2.195 271 G HA2 -0.274 3.779 3.960 0.155 0.000 0.246 271 G HA3 -0.274 3.779 3.960 0.155 0.000 0.246 271 G C -0.095 174.729 174.900 -0.126 0.000 0.984 271 G CA 0.213 45.051 45.100 -0.438 0.000 0.633 271 G HN 0.645 nan 8.290 nan 0.000 0.525 272 R N -0.998 119.467 120.500 -0.058 0.000 2.854 272 R HA 0.763 5.196 4.340 0.155 0.000 0.271 272 R C -0.830 175.490 176.300 0.034 0.000 0.994 272 R CA -0.920 55.193 56.100 0.021 0.000 0.945 272 R CB 1.259 31.584 30.300 0.041 0.000 1.194 272 R HN 0.057 nan 8.270 nan 0.000 0.476 273 L N 2.466 123.720 121.223 0.052 0.000 2.322 273 L HA 0.522 4.955 4.340 0.155 0.000 0.279 273 L C -0.454 176.422 176.870 0.010 0.000 1.036 273 L CA -0.153 54.705 54.840 0.030 0.000 0.807 273 L CB 1.457 43.539 42.059 0.039 0.000 1.226 273 L HN 0.469 nan 8.230 nan 0.000 0.433 274 I N 4.065 124.630 120.570 -0.008 0.000 2.410 274 I HA 0.410 4.673 4.170 0.155 0.000 0.286 274 I C -0.772 175.353 176.117 0.014 0.000 1.009 274 I CA -0.421 60.872 61.300 -0.011 0.000 1.111 274 I CB 1.599 39.575 38.000 -0.040 0.000 1.262 274 I HN 0.377 nan 8.210 nan 0.000 0.443 275 I N 5.451 126.033 120.570 0.020 0.000 2.603 275 I HA 0.386 4.649 4.170 0.155 0.000 0.300 275 I C -0.429 175.752 176.117 0.107 0.000 1.017 275 I CA -0.236 61.125 61.300 0.102 0.000 1.098 275 I CB 1.964 40.042 38.000 0.131 0.000 1.279 275 I HN 0.448 nan 8.210 nan 0.000 0.437 276 D N 3.018 123.492 120.400 0.123 0.000 2.498 276 D HA 0.351 5.084 4.640 0.155 0.000 0.247 276 D C 0.874 177.118 176.300 -0.093 0.000 1.070 276 D CA -0.540 53.467 54.000 0.011 0.000 0.842 276 D CB 2.242 43.006 40.800 -0.060 0.000 1.361 276 D HN 0.596 nan 8.370 nan 0.000 0.484 277 G N 3.006 111.697 108.800 -0.183 0.000 2.422 277 G HA2 -0.145 3.908 3.960 0.155 0.000 0.218 277 G HA3 -0.145 3.908 3.960 0.155 0.000 0.218 277 G C 1.620 176.041 174.900 -0.798 0.000 1.140 277 G CA 0.524 45.325 45.100 -0.499 0.000 0.775 277 G HN 0.644 nan 8.290 nan 0.000 0.545 278 I N 0.441 120.432 120.570 -0.965 0.000 2.202 278 I HA -0.115 4.148 4.170 0.155 0.000 0.242 278 I C 2.598 178.374 176.117 -0.569 0.000 1.091 278 I CA 1.346 62.202 61.300 -0.740 0.000 1.368 278 I CB -0.586 36.996 38.000 -0.696 0.000 1.058 278 I HN 0.255 nan 8.210 nan 0.000 0.410 279 E N 1.356 121.273 120.200 -0.472 0.000 2.046 279 E HA -0.089 4.354 4.350 0.155 0.000 0.190 279 E C 2.424 178.625 176.600 -0.665 0.000 0.982 279 E CA 1.136 57.251 56.400 -0.475 0.000 0.800 279 E CB -0.174 29.332 29.700 -0.323 0.000 0.756 279 E HN 0.457 nan 8.360 nan 0.000 0.449 280 A N 1.418 123.855 122.820 -0.637 0.000 1.908 280 A HA -0.192 4.221 4.320 0.155 0.000 0.218 280 A C 2.198 179.539 177.584 -0.404 0.000 1.181 280 A CA 1.135 52.836 52.037 -0.561 0.000 0.627 280 A CB -0.708 18.110 19.000 -0.304 0.000 0.818 280 A HN 0.162 nan 8.150 nan 0.000 0.445 281 L N -0.658 120.364 121.223 -0.334 0.000 2.046 281 L HA -0.205 4.229 4.340 0.155 0.000 0.208 281 L C 2.599 179.487 176.870 0.029 0.000 1.077 281 L CA 1.736 56.506 54.840 -0.116 0.000 0.747 281 L CB -0.434 41.692 42.059 0.111 0.000 0.896 281 L HN 0.456 nan 8.230 nan 0.000 0.432 282 K N -0.367 119.951 120.400 -0.137 0.000 2.057 282 K HA -0.091 4.323 4.320 0.155 0.000 0.206 282 K C 2.170 178.589 176.600 -0.303 0.000 1.050 282 K CA 1.585 57.773 56.287 -0.165 0.000 0.935 282 K CB -0.253 32.063 32.500 -0.306 0.000 0.715 282 K HN 0.265 nan 8.250 nan 0.000 0.439 283 S N 1.983 117.478 115.700 -0.343 0.000 2.365 283 S HA -0.190 4.373 4.470 0.155 0.000 0.225 283 S C 2.333 176.698 174.600 -0.392 0.000 1.039 283 S CA 1.329 59.321 58.200 -0.348 0.000 1.033 283 S CB -0.492 62.645 63.200 -0.105 0.000 0.887 283 S HN 0.436 nan 8.310 nan 0.000 0.447 284 A N 0.301 122.950 122.820 -0.285 0.000 2.084 284 A HA 0.033 4.446 4.320 0.155 0.000 0.221 284 A C 0.909 178.469 177.584 -0.040 0.000 1.161 284 A CA 1.160 52.981 52.037 -0.360 0.000 0.653 284 A CB -0.851 18.071 19.000 -0.130 0.000 0.802 284 A HN 0.469 nan 8.150 nan 0.000 0.457 285 F N -5.836 114.098 119.950 -0.026 0.000 2.737 285 F HA -0.176 4.444 4.527 0.156 0.000 0.288 285 F C -0.013 175.698 175.800 -0.148 0.000 0.708 285 F CA 0.097 58.051 58.000 -0.076 0.000 1.483 285 F CB -2.109 36.819 39.000 -0.120 0.000 1.745 285 F HN 0.381 nan 8.300 nan 0.000 0.354 286 W N 1.524 122.830 121.300 0.009 0.000 2.316 286 W HA 0.579 5.334 4.660 0.158 0.000 0.321 286 W C 0.564 176.970 176.519 -0.188 0.000 1.203 286 W CA -0.014 57.260 57.345 -0.118 0.000 1.214 286 W CB 0.735 30.150 29.460 -0.075 0.000 1.169 286 W HN -0.031 nan 8.180 nan 0.000 0.561 287 N N 2.236 120.760 118.700 -0.293 0.000 2.331 287 N HA 0.492 5.325 4.740 0.155 0.000 0.280 287 N C -1.774 173.260 175.510 -0.792 0.000 1.155 287 N CA -0.661 52.174 53.050 -0.358 0.000 0.822 287 N CB 1.420 39.912 38.487 0.009 0.000 1.619 287 N HN 0.223 nan 8.380 nan 0.000 0.476 288 F N -0.462 119.485 119.950 -0.004 0.000 2.643 288 F HA 0.301 4.922 4.527 0.156 0.000 0.314 288 F C 1.891 177.700 175.800 0.015 0.000 1.096 288 F CA -0.809 57.163 58.000 -0.047 0.000 0.953 288 F CB 1.084 39.962 39.000 -0.202 0.000 1.345 288 F HN 0.440 nan 8.300 nan 0.000 0.468 289 S N -0.672 115.173 115.700 0.242 0.000 2.359 289 S HA -0.103 4.460 4.470 0.155 0.000 0.224 289 S C 0.780 175.507 174.600 0.211 0.000 1.035 289 S CA 1.281 59.598 58.200 0.196 0.000 1.018 289 S CB -0.295 63.011 63.200 0.177 0.000 0.876 289 S HN 0.528 nan 8.310 nan 0.000 0.448 290 S N -1.098 114.718 115.700 0.193 0.000 2.599 290 S HA 0.680 5.243 4.470 0.155 0.000 0.294 290 S C -1.136 173.569 174.600 0.175 0.000 1.094 290 S CA -0.799 57.516 58.200 0.192 0.000 0.931 290 S CB 1.182 64.456 63.200 0.123 0.000 1.093 290 S HN 0.285 nan 8.310 nan 0.000 0.488 291 F N 2.450 122.508 119.950 0.180 0.000 2.837 291 F HA 0.302 4.921 4.527 0.154 0.000 0.298 291 F C 0.968 176.952 175.800 0.306 0.000 1.161 291 F CA -0.329 57.817 58.000 0.244 0.000 1.353 291 F CB 0.258 39.381 39.000 0.205 0.000 0.951 291 F HN 0.506 nan 8.300 nan 0.000 0.508 292 S N -0.504 115.338 115.700 0.236 0.000 2.601 292 S HA 0.235 4.799 4.470 0.155 0.000 0.271 292 S C 1.310 175.861 174.600 -0.081 0.000 1.305 292 S CA -0.747 57.537 58.200 0.140 0.000 1.022 292 S CB 1.505 64.704 63.200 -0.001 0.000 0.940 292 S HN 0.367 nan 8.310 nan 0.000 0.525 293 L N 0.683 121.712 121.223 -0.323 0.000 2.083 293 L HA -0.139 4.294 4.340 0.155 0.000 0.209 293 L C 2.333 178.967 176.870 -0.395 0.000 1.083 293 L CA 1.564 55.983 54.840 -0.700 0.000 0.752 293 L CB -0.559 41.052 42.059 -0.746 0.000 0.899 293 L HN 0.726 nan 8.230 nan 0.000 0.433 294 E N -0.531 119.541 120.200 -0.213 0.000 2.049 294 E HA -0.208 4.235 4.350 0.155 0.000 0.198 294 E C 2.035 178.569 176.600 -0.111 0.000 1.007 294 E CA 2.002 58.336 56.400 -0.110 0.000 0.809 294 E CB -0.789 28.915 29.700 0.005 0.000 0.749 294 E HN 0.334 nan 8.360 nan 0.000 0.450 295 T N 0.528 115.025 114.554 -0.095 0.000 2.737 295 T HA -0.097 4.346 4.350 0.155 0.000 0.265 295 T C 2.031 176.590 174.700 -0.235 0.000 1.038 295 T CA 1.507 63.555 62.100 -0.087 0.000 1.144 295 T CB -0.335 68.514 68.868 -0.032 0.000 0.866 295 T HN -0.012 nan 8.240 nan 0.000 0.434 296 V N 2.095 121.757 119.914 -0.419 0.000 2.332 296 V HA -0.177 4.036 4.120 0.155 0.000 0.248 296 V C 2.921 178.684 176.094 -0.552 0.000 1.055 296 V CA 1.666 63.514 62.300 -0.754 0.000 1.038 296 V CB -1.472 29.865 31.823 -0.811 0.000 0.651 296 V HN 0.511 nan 8.190 nan 0.000 0.450 297 A N 0.515 123.073 122.820 -0.436 0.000 1.908 297 A HA -0.291 4.122 4.320 0.155 0.000 0.218 297 A C 2.274 179.736 177.584 -0.204 0.000 1.181 297 A CA 2.141 53.986 52.037 -0.321 0.000 0.627 297 A CB -0.491 18.331 19.000 -0.297 0.000 0.818 297 A HN 0.749 nan 8.150 nan 0.000 0.445 298 Q N -0.941 118.761 119.800 -0.163 0.000 2.319 298 Q HA 0.108 4.541 4.340 0.155 0.000 0.202 298 Q C 0.683 176.655 176.000 -0.048 0.000 0.896 298 Q CA 0.516 56.267 55.803 -0.086 0.000 0.942 298 Q CB 0.072 28.778 28.738 -0.054 0.000 1.083 298 Q HN 0.713 nan 8.270 nan 0.000 0.510 299 E N 0.090 120.253 120.200 -0.062 0.000 2.474 299 E HA 0.082 4.525 4.350 0.155 0.000 0.195 299 E C 1.105 177.750 176.600 0.074 0.000 1.039 299 E CA 0.097 56.519 56.400 0.037 0.000 0.881 299 E CB 0.608 30.376 29.700 0.113 0.000 0.970 299 E HN 0.343 nan 8.360 nan 0.000 0.486 300 L N -0.625 120.592 121.223 -0.009 0.000 2.663 300 L HA 0.160 4.593 4.340 0.155 0.000 0.218 300 L C 1.515 178.381 176.870 -0.006 0.000 1.043 300 L CA 0.327 55.178 54.840 0.018 0.000 0.876 300 L CB 0.552 42.565 42.059 -0.076 0.000 1.263 300 L HN 0.001 nan 8.230 nan 0.000 0.486 301 L N -0.945 120.248 121.223 -0.051 0.000 2.590 301 L HA 0.405 4.838 4.340 0.155 0.000 0.227 301 L C 1.379 178.233 176.870 -0.028 0.000 1.099 301 L CA 0.703 55.519 54.840 -0.040 0.000 0.872 301 L CB 0.103 42.120 42.059 -0.069 0.000 1.088 301 L HN 0.446 nan 8.230 nan 0.000 0.479 302 G N 0.039 108.824 108.800 -0.026 0.000 2.176 302 G HA2 -0.244 3.809 3.960 0.155 0.000 0.253 302 G HA3 -0.244 3.809 3.960 0.155 0.000 0.253 302 G C 0.208 175.093 174.900 -0.026 0.000 0.979 302 G CA -0.055 45.035 45.100 -0.017 0.000 0.641 302 G HN 0.279 nan 8.290 nan 0.000 0.530 303 E N 0.465 120.639 120.200 -0.043 0.000 2.435 303 E HA 0.522 4.965 4.350 0.155 0.000 0.256 303 E C 1.264 177.845 176.600 -0.032 0.000 1.245 303 E CA 0.868 57.241 56.400 -0.045 0.000 0.989 303 E CB 0.069 29.727 29.700 -0.071 0.000 0.983 303 E HN 0.622 nan 8.360 nan 0.000 0.480 312 D N 0.921 121.429 120.400 0.181 0.000 6.629 312 D HA -0.084 4.649 4.640 0.155 0.000 0.321 312 D C -0.360 175.964 176.300 0.040 0.000 2.556 312 D CA 0.670 54.711 54.000 0.069 0.000 1.570 312 D CB -0.428 40.398 40.800 0.044 0.000 1.139 312 D HN 0.510 nan 8.370 nan 0.000 1.246 313 R N -1.124 119.383 120.500 0.012 0.000 1.991 313 R HA 0.016 4.449 4.340 0.155 0.000 0.426 313 R C -0.009 176.278 176.300 -0.022 0.000 1.233 313 R CA 0.908 57.009 56.100 0.001 0.000 0.767 313 R CB -1.031 29.272 30.300 0.004 0.000 2.504 313 R HN 0.606 nan 8.270 nan 0.000 0.559 314 M N 0.752 120.347 119.600 -0.009 0.000 2.356 314 M HA 0.291 4.865 4.480 0.155 0.000 0.262 314 M C 0.234 176.546 176.300 0.021 0.000 1.097 314 M CA -0.006 55.291 55.300 -0.004 0.000 0.991 314 M CB 0.566 33.170 32.600 0.007 0.000 1.450 314 M HN 0.394 nan 8.290 nan 0.000 0.495 315 D N -0.225 120.185 120.400 0.016 0.000 2.369 315 D HA -0.015 4.718 4.640 0.155 0.000 0.211 315 D C 1.620 177.928 176.300 0.014 0.000 1.077 315 D CA 0.152 54.171 54.000 0.030 0.000 0.842 315 D CB -0.069 40.749 40.800 0.030 0.000 0.947 315 D HN 0.192 nan 8.370 nan 0.000 0.509 316 E N 1.375 121.565 120.200 -0.017 0.000 2.072 316 E HA -0.017 4.426 4.350 0.155 0.000 0.190 316 E C 2.098 178.673 176.600 -0.041 0.000 0.982 316 E CA 0.332 56.707 56.400 -0.041 0.000 0.803 316 E CB -0.120 29.524 29.700 -0.093 0.000 0.755 316 E HN 0.344 nan 8.360 nan 0.000 0.453 317 I N 1.190 121.732 120.570 -0.047 0.000 2.226 317 I HA -0.253 4.010 4.170 0.155 0.000 0.245 317 I C 1.896 178.090 176.117 0.129 0.000 1.100 317 I CA 1.215 62.522 61.300 0.012 0.000 1.374 317 I CB -0.173 37.849 38.000 0.038 0.000 1.057 317 I HN -0.015 nan 8.210 nan 0.000 0.413 318 D N 0.556 121.039 120.400 0.137 0.000 2.178 318 D HA -0.170 4.563 4.640 0.155 0.000 0.202 318 D C 2.197 178.541 176.300 0.075 0.000 0.974 318 D CA 1.013 55.097 54.000 0.141 0.000 0.841 318 D CB -0.106 40.771 40.800 0.128 0.000 0.953 318 D HN 0.386 nan 8.370 nan 0.000 0.478 319 R N 0.886 121.421 120.500 0.058 0.000 2.073 319 R HA 0.024 4.457 4.340 0.155 0.000 0.229 319 R C 2.141 178.472 176.300 0.051 0.000 1.120 319 R CA 0.913 57.041 56.100 0.047 0.000 0.967 319 R CB -0.164 30.152 30.300 0.027 0.000 0.862 319 R HN -0.033 nan 8.270 nan 0.000 0.436 320 R N -0.353 120.174 120.500 0.045 0.000 2.081 320 R HA -0.117 4.316 4.340 0.155 0.000 0.235 320 R C 2.071 178.401 176.300 0.050 0.000 1.131 320 R CA 1.817 57.940 56.100 0.038 0.000 0.960 320 R CB -0.415 29.902 30.300 0.030 0.000 0.856 320 R HN 0.341 nan 8.270 nan 0.000 0.436 321 F N 0.348 120.212 119.950 -0.143 0.000 2.546 321 F HA -0.025 4.595 4.527 0.155 0.000 0.298 321 F C 1.701 177.393 175.800 -0.180 0.000 1.120 321 F CA 0.805 58.662 58.000 -0.238 0.000 1.456 321 F CB 0.195 38.791 39.000 -0.673 0.000 1.088 321 F HN -0.041 nan 8.300 nan 0.000 0.572 322 A N -0.238 122.671 122.820 0.148 0.000 1.944 322 A HA 0.142 4.555 4.320 0.155 0.000 0.207 322 A C 1.531 179.117 177.584 0.005 0.000 1.265 322 A CA 0.613 52.719 52.037 0.115 0.000 0.712 322 A CB -0.193 18.883 19.000 0.126 0.000 0.915 322 A HN 0.324 nan 8.150 nan 0.000 0.470 323 E N -0.593 119.611 120.200 0.005 0.000 2.558 323 E HA 0.239 4.682 4.350 0.155 0.000 0.205 323 E C -1.177 175.413 176.600 -0.018 0.000 1.006 323 E CA 0.258 56.652 56.400 -0.009 0.000 0.961 323 E CB 0.493 30.195 29.700 0.004 0.000 1.044 323 E HN 0.538 nan 8.360 nan 0.000 0.465 324 D N -0.977 119.405 120.400 -0.030 0.000 3.140 324 D HA 0.004 4.737 4.640 0.155 0.000 0.161 324 D C 0.233 176.527 176.300 -0.009 0.000 1.157 324 D CA 0.032 54.023 54.000 -0.015 0.000 1.640 324 D CB -0.336 40.467 40.800 0.004 0.000 1.055 324 D HN -0.136 nan 8.370 nan 0.000 0.776 325 K N 0.923 121.301 120.400 -0.037 0.000 2.103 325 K HA -0.064 4.349 4.320 0.155 0.000 0.207 325 K C -1.021 175.606 176.600 0.045 0.000 1.048 325 K CA 1.451 57.721 56.287 -0.028 0.000 0.930 325 K CB -0.450 32.035 32.500 -0.025 0.000 0.716 325 K HN 0.351 nan 8.250 nan 0.000 0.444 326 P HA -0.188 nan 4.420 nan 0.000 0.218 326 P C 0.858 178.236 177.300 0.130 0.000 1.148 326 P CA 1.576 64.726 63.100 0.084 0.000 0.822 326 P CB 0.057 31.785 31.700 0.046 0.000 0.784 327 A N -1.053 121.828 122.820 0.101 0.000 1.929 327 A HA -0.122 4.291 4.320 0.155 0.000 0.216 327 A C 2.057 179.736 177.584 0.158 0.000 1.176 327 A CA 1.008 53.118 52.037 0.122 0.000 0.628 327 A CB -1.516 17.533 19.000 0.081 0.000 0.816 327 A HN 0.125 nan 8.150 nan 0.000 0.444 328 L N 0.116 121.419 121.223 0.133 0.000 1.989 328 L HA -0.101 4.332 4.340 0.155 0.000 0.211 328 L C 2.697 179.685 176.870 0.196 0.000 1.071 328 L CA 2.293 57.238 54.840 0.175 0.000 0.749 328 L CB -0.992 41.158 42.059 0.152 0.000 0.890 328 L HN 0.350 nan 8.230 nan 0.000 0.431 329 A N -1.629 121.286 122.820 0.159 0.000 1.917 329 A HA -0.318 4.095 4.320 0.155 0.000 0.219 329 A C 2.461 180.047 177.584 0.003 0.000 1.182 329 A CA 2.719 54.834 52.037 0.129 0.000 0.633 329 A CB -1.425 17.741 19.000 0.278 0.000 0.819 329 A HN 0.595 nan 8.150 nan 0.000 0.448 330 T N -2.954 111.701 114.554 0.168 0.000 3.067 330 T HA -0.096 4.347 4.350 0.155 0.000 0.261 330 T C 1.616 176.311 174.700 -0.009 0.000 1.110 330 T CA 1.294 63.398 62.100 0.007 0.000 1.113 330 T CB -0.392 68.639 68.868 0.273 0.000 0.917 330 T HN 0.556 nan 8.240 nan 0.000 0.499 331 Y N 2.333 122.623 120.300 -0.018 0.000 2.163 331 Y HA 0.003 4.646 4.550 0.155 0.000 0.288 331 Y C 2.342 178.206 175.900 -0.059 0.000 1.136 331 Y CA 1.794 59.882 58.100 -0.020 0.000 1.147 331 Y CB -0.752 37.718 38.460 0.016 0.000 0.987 331 Y HN 0.257 nan 8.280 nan 0.000 0.509 332 N N 1.062 119.684 118.700 -0.130 0.000 2.043 332 N HA -0.223 4.610 4.740 0.155 0.000 0.193 332 N C 1.987 177.309 175.510 -0.314 0.000 1.037 332 N CA 2.051 54.965 53.050 -0.227 0.000 0.851 332 N CB -0.764 37.703 38.487 -0.033 0.000 1.027 332 N HN 0.593 nan 8.380 nan 0.000 0.422 333 L N 0.552 121.552 121.223 -0.371 0.000 2.127 333 L HA -0.146 4.287 4.340 0.155 0.000 0.211 333 L C 2.472 179.145 176.870 -0.329 0.000 1.089 333 L CA 1.238 55.820 54.840 -0.431 0.000 0.757 333 L CB -0.289 41.309 42.059 -0.770 0.000 0.899 333 L HN 0.291 nan 8.230 nan 0.000 0.434 334 K N -0.136 120.078 120.400 -0.310 0.000 2.147 334 K HA -0.194 4.219 4.320 0.155 0.000 0.205 334 K C 1.730 178.173 176.600 -0.261 0.000 1.049 334 K CA 1.481 57.624 56.287 -0.241 0.000 0.936 334 K CB 0.096 32.476 32.500 -0.200 0.000 0.722 334 K HN 0.271 nan 8.250 nan 0.000 0.446 335 N N 0.486 118.980 118.700 -0.343 0.000 2.069 335 N HA -0.171 4.662 4.740 0.155 0.000 0.191 335 N C 1.708 177.091 175.510 -0.212 0.000 1.031 335 N CA 1.622 54.483 53.050 -0.315 0.000 0.852 335 N CB -0.703 37.569 38.487 -0.358 0.000 1.018 335 N HN 0.275 nan 8.380 nan 0.000 0.423 336 C N 1.135 120.323 119.300 -0.186 0.000 2.429 336 C HA -0.060 4.493 4.460 0.155 0.000 0.277 336 C C 2.329 177.262 174.990 -0.095 0.000 1.262 336 C CA 0.377 59.319 59.018 -0.127 0.000 1.733 336 C CB -1.043 26.612 27.740 -0.142 0.000 2.010 336 C HN 0.532 nan 8.230 nan 0.000 0.483 337 E N 0.918 121.050 120.200 -0.113 0.000 2.150 337 E HA -0.141 4.303 4.350 0.155 0.000 0.193 337 E C 2.068 178.639 176.600 -0.049 0.000 0.985 337 E CA 0.895 57.255 56.400 -0.065 0.000 0.814 337 E CB -0.269 29.381 29.700 -0.082 0.000 0.752 337 E HN 0.652 nan 8.360 nan 0.000 0.466 338 L N 0.703 121.859 121.223 -0.112 0.000 2.027 338 L HA -0.168 4.266 4.340 0.155 0.000 0.206 338 L C 2.544 179.351 176.870 -0.106 0.000 1.074 338 L CA 0.753 55.508 54.840 -0.142 0.000 0.745 338 L CB -0.419 41.492 42.059 -0.247 0.000 0.898 338 L HN 0.031 nan 8.230 nan 0.000 0.433 339 V N -0.290 119.571 119.914 -0.087 0.000 2.287 339 V HA -0.336 3.877 4.120 0.155 0.000 0.248 339 V C 2.764 179.005 176.094 0.245 0.000 1.053 339 V CA 2.489 64.839 62.300 0.083 0.000 1.027 339 V CB -0.861 31.052 31.823 0.150 0.000 0.646 339 V HN 0.661 nan 8.190 nan 0.000 0.447 340 T N -1.211 113.428 114.554 0.141 0.000 2.904 340 T HA -0.210 4.233 4.350 0.155 0.000 0.267 340 T C 1.796 176.737 174.700 0.402 0.000 1.059 340 T CA 1.547 63.805 62.100 0.264 0.000 1.137 340 T CB -0.219 68.795 68.868 0.243 0.000 0.879 340 T HN 0.614 nan 8.240 nan 0.000 0.467 341 Q N 0.032 119.977 119.800 0.241 0.000 2.119 341 Q HA 0.041 4.475 4.340 0.155 0.000 0.201 341 Q C 2.331 178.458 176.000 0.212 0.000 0.972 341 Q CA 1.374 57.309 55.803 0.219 0.000 0.847 341 Q CB -0.293 28.487 28.738 0.070 0.000 0.903 341 Q HN 0.548 nan 8.270 nan 0.000 0.433 342 I N -0.101 120.562 120.570 0.155 0.000 2.315 342 I HA -0.243 4.020 4.170 0.155 0.000 0.248 342 I C 1.734 177.904 176.117 0.089 0.000 1.117 342 I CA 1.150 62.488 61.300 0.064 0.000 1.404 342 I CB -0.063 37.950 38.000 0.021 0.000 1.071 342 I HN 0.108 nan 8.210 nan 0.000 0.419 343 F N -0.202 119.770 119.950 0.038 0.000 2.234 343 F HA -0.220 4.403 4.527 0.160 0.000 0.299 343 F C 2.358 178.166 175.800 0.014 0.000 1.087 343 F CA 1.466 59.448 58.000 -0.031 0.000 1.340 343 F CB -0.285 38.639 39.000 -0.127 0.000 1.031 343 F HN 0.127 nan 8.300 nan 0.000 0.500 344 H N -1.375 117.907 119.070 0.354 0.000 2.372 344 H HA -0.077 4.571 4.556 0.154 0.000 0.301 344 H C 2.076 177.484 175.328 0.133 0.000 1.065 344 H CA 1.120 57.319 56.048 0.253 0.000 1.364 344 H CB 0.064 29.941 29.762 0.190 0.000 1.406 344 H HN -0.126 nan 8.280 nan 0.000 0.521 345 K N 0.441 120.960 120.400 0.198 0.000 2.026 345 K HA -0.102 4.311 4.320 0.155 0.000 0.208 345 K C 2.096 178.739 176.600 0.072 0.000 1.048 345 K CA 1.992 58.342 56.287 0.104 0.000 0.929 345 K CB -0.518 32.000 32.500 0.030 0.000 0.713 345 K HN 0.425 nan 8.250 nan 0.000 0.439 346 T N -1.520 112.996 114.554 -0.064 0.000 3.072 346 T HA 0.018 4.461 4.350 0.155 0.000 0.266 346 T C 0.159 174.906 174.700 0.078 0.000 1.127 346 T CA 0.536 62.557 62.100 -0.132 0.000 1.107 346 T CB -0.398 68.126 68.868 -0.574 0.000 0.910 346 T HN 0.408 nan 8.240 nan 0.000 0.513 347 E N -0.287 119.969 120.200 0.094 0.000 2.360 347 E HA -0.183 4.260 4.350 0.155 0.000 0.238 347 E C 0.409 177.077 176.600 0.112 0.000 1.186 347 E CA -0.030 56.460 56.400 0.149 0.000 0.719 347 E CB -1.057 28.756 29.700 0.188 0.000 1.236 347 E HN 0.359 nan 8.360 nan 0.000 0.386 348 I N 0.058 120.613 120.570 -0.025 0.000 2.163 348 I HA -0.240 4.024 4.170 0.155 0.000 0.240 348 I C 2.148 178.309 176.117 0.073 0.000 1.081 348 I CA 1.491 62.721 61.300 -0.116 0.000 1.353 348 I CB -0.288 37.437 38.000 -0.458 0.000 1.054 348 I HN 0.364 nan 8.210 nan 0.000 0.407 349 M N 0.345 120.005 119.600 0.100 0.000 2.086 349 M HA -0.124 4.449 4.480 0.155 0.000 0.261 349 M C -0.131 176.291 176.300 0.202 0.000 1.067 349 M CA 1.801 57.197 55.300 0.159 0.000 1.116 349 M CB -2.269 30.430 32.600 0.164 0.000 1.348 349 M HN 0.075 nan 8.290 nan 0.000 0.407 350 P HA -0.229 nan 4.420 nan 0.000 0.218 350 P C 1.594 179.012 177.300 0.197 0.000 1.152 350 P CA 1.614 64.811 63.100 0.162 0.000 0.857 350 P CB -0.512 31.289 31.700 0.169 0.000 0.787 351 F N -0.410 119.586 119.950 0.076 0.000 2.163 351 F HA -0.126 4.494 4.527 0.155 0.000 0.297 351 F C 1.846 177.695 175.800 0.082 0.000 1.094 351 F CA 0.882 58.932 58.000 0.084 0.000 1.290 351 F CB -0.745 38.319 39.000 0.106 0.000 1.017 351 F HN -0.280 nan 8.300 nan 0.000 0.483 352 L N 1.021 122.550 121.223 0.511 0.000 1.989 352 L HA -0.223 4.210 4.340 0.155 0.000 0.211 352 L C 2.341 179.249 176.870 0.064 0.000 1.071 352 L CA 1.832 56.830 54.840 0.263 0.000 0.749 352 L CB -1.405 40.832 42.059 0.296 0.000 0.890 352 L HN 0.234 nan 8.230 nan 0.000 0.431 353 L N -1.187 120.088 121.223 0.087 0.000 2.042 353 L HA -0.195 4.239 4.340 0.155 0.000 0.210 353 L C 2.576 179.496 176.870 0.083 0.000 1.076 353 L CA 1.173 56.060 54.840 0.079 0.000 0.749 353 L CB -0.763 41.234 42.059 -0.104 0.000 0.893 353 L HN 0.259 nan 8.230 nan 0.000 0.432 354 E N 0.295 120.496 120.200 0.002 0.000 2.077 354 E HA -0.229 4.214 4.350 0.155 0.000 0.193 354 E C 2.262 178.815 176.600 -0.079 0.000 0.989 354 E CA 1.380 57.770 56.400 -0.017 0.000 0.800 354 E CB -0.203 29.481 29.700 -0.026 0.000 0.746 354 E HN 0.545 nan 8.360 nan 0.000 0.452 355 R N 0.924 121.284 120.500 -0.233 0.000 2.062 355 R HA 0.006 4.439 4.340 0.155 0.000 0.231 355 R C 2.298 178.536 176.300 -0.103 0.000 1.136 355 R CA 1.518 57.465 56.100 -0.255 0.000 0.948 355 R CB -0.586 29.414 30.300 -0.500 0.000 0.845 355 R HN 0.033 nan 8.270 nan 0.000 0.430 356 A N 0.703 123.493 122.820 -0.049 0.000 2.032 356 A HA -0.160 4.253 4.320 0.155 0.000 0.221 356 A C 2.160 179.739 177.584 -0.009 0.000 1.165 356 A CA 2.129 54.164 52.037 -0.004 0.000 0.645 356 A CB -1.004 18.038 19.000 0.069 0.000 0.807 356 A HN 0.577 nan 8.150 nan 0.000 0.453 357 T N -1.177 113.404 114.554 0.045 0.000 2.904 357 T HA -0.035 4.408 4.350 0.155 0.000 0.267 357 T C 1.772 176.474 174.700 0.002 0.000 1.059 357 T CA 1.334 63.456 62.100 0.037 0.000 1.137 357 T CB -0.129 68.815 68.868 0.127 0.000 0.879 357 T HN 0.168 nan 8.240 nan 0.000 0.467 358 V N 3.077 122.988 119.914 -0.005 0.000 2.591 358 V HA -0.063 4.150 4.120 0.155 0.000 0.249 358 V C 2.147 178.244 176.094 0.006 0.000 1.053 358 V CA 1.711 64.014 62.300 0.004 0.000 1.068 358 V CB -0.332 31.483 31.823 -0.015 0.000 0.689 358 V HN 0.651 nan 8.190 nan 0.000 0.462 359 N N -0.242 118.442 118.700 -0.027 0.000 2.282 359 N HA 0.177 5.010 4.740 0.155 0.000 0.185 359 N C 1.368 176.790 175.510 -0.147 0.000 1.099 359 N CA 1.014 54.049 53.050 -0.025 0.000 0.878 359 N CB 0.624 39.107 38.487 -0.006 0.000 0.993 359 N HN 0.319 nan 8.380 nan 0.000 0.481 360 G N -0.086 108.576 108.800 -0.230 0.000 2.184 360 G HA2 -0.267 3.786 3.960 0.155 0.000 0.264 360 G HA3 -0.267 3.786 3.960 0.155 0.000 0.264 360 G C -0.157 174.476 174.900 -0.446 0.000 0.975 360 G CA 0.735 45.524 45.100 -0.518 0.000 0.642 360 G HN 0.337 nan 8.290 nan 0.000 0.536 361 L N 0.074 121.164 121.223 -0.222 0.000 2.448 361 L HA 0.513 4.946 4.340 0.155 0.000 0.258 361 L C -1.800 175.013 176.870 -0.095 0.000 1.104 361 L CA -2.351 52.412 54.840 -0.129 0.000 0.800 361 L CB 0.546 42.564 42.059 -0.069 0.000 1.241 361 L HN -0.154 nan 8.230 nan 0.000 0.472 362 P HA 0.040 nan 4.420 nan 0.000 0.275 362 P C 0.685 177.963 177.300 -0.036 0.000 1.228 362 P CA -0.276 62.799 63.100 -0.041 0.000 0.786 362 P CB 0.903 32.575 31.700 -0.046 0.000 0.927 363 V N 1.711 121.636 119.914 0.019 0.000 2.490 363 V HA -0.195 4.018 4.120 0.155 0.000 0.250 363 V C 1.196 177.254 176.094 -0.059 0.000 1.061 363 V CA 2.200 64.524 62.300 0.040 0.000 1.064 363 V CB -1.065 30.836 31.823 0.131 0.000 0.670 363 V HN 0.646 nan 8.190 nan 0.000 0.461 364 D N -0.049 120.294 120.400 -0.095 0.000 2.434 364 D HA 0.061 4.795 4.640 0.155 0.000 0.232 364 D C 0.773 176.859 176.300 -0.357 0.000 1.166 364 D CA -0.156 53.719 54.000 -0.208 0.000 0.830 364 D CB -0.294 40.454 40.800 -0.086 0.000 0.960 364 D HN 0.316 nan 8.370 nan 0.000 0.497 365 R N 0.754 121.051 120.500 -0.338 0.000 2.275 365 R HA 0.299 4.732 4.340 0.155 0.000 0.326 365 R C -1.334 174.802 176.300 -0.273 0.000 0.973 365 R CA -0.542 55.405 56.100 -0.255 0.000 0.854 365 R CB 0.093 30.317 30.300 -0.125 0.000 1.156 365 R HN 0.039 nan 8.270 nan 0.000 0.487 366 H N 2.656 121.752 119.070 0.044 0.000 2.556 366 H HA 0.592 5.241 4.556 0.155 0.000 0.310 366 H C 0.360 175.706 175.328 0.030 0.000 1.057 366 H CA 0.194 56.263 56.048 0.034 0.000 1.264 366 H CB 1.825 31.596 29.762 0.015 0.000 1.404 366 H HN 0.990 nan 8.280 nan 0.000 0.462 367 G N 1.081 109.957 108.800 0.127 0.000 2.663 367 G HA2 0.288 4.342 3.960 0.155 0.000 0.686 367 G HA3 0.288 4.342 3.960 0.155 0.000 0.686 367 G C 0.260 175.203 174.900 0.071 0.000 1.246 367 G CA -0.371 44.782 45.100 0.090 0.000 0.795 367 G HN 1.336 nan 8.290 nan 0.000 0.627 368 G N -0.985 107.861 108.800 0.077 0.000 2.330 368 G HA2 0.228 4.282 3.960 0.155 0.000 0.125 368 G HA3 0.228 4.282 3.960 0.155 0.000 0.125 368 G C 1.116 176.079 174.900 0.105 0.000 1.060 368 G CA 0.856 46.001 45.100 0.075 0.000 0.743 368 G HN 1.801 nan 8.290 nan 0.000 0.480 369 S N -0.813 114.960 115.700 0.123 0.000 2.420 369 S HA -0.140 4.423 4.470 0.155 0.000 0.237 369 S C 2.478 177.209 174.600 0.219 0.000 1.023 369 S CA 1.468 59.772 58.200 0.172 0.000 0.991 369 S CB 0.072 63.377 63.200 0.175 0.000 0.792 369 S HN 0.544 nan 8.310 nan 0.000 0.488 370 V N 1.413 121.427 119.914 0.167 0.000 2.453 370 V HA -0.121 4.093 4.120 0.155 0.000 0.247 370 V C 2.517 178.738 176.094 0.211 0.000 1.048 370 V CA 1.543 63.948 62.300 0.175 0.000 1.049 370 V CB -0.904 30.980 31.823 0.102 0.000 0.672 370 V HN 0.545 nan 8.190 nan 0.000 0.457 371 A N -0.327 122.585 122.820 0.154 0.000 1.969 371 A HA -0.028 4.385 4.320 0.155 0.000 0.218 371 A C 2.371 180.049 177.584 0.157 0.000 1.169 371 A CA 1.782 53.896 52.037 0.129 0.000 0.635 371 A CB -0.552 18.495 19.000 0.078 0.000 0.810 371 A HN 0.548 nan 8.150 nan 0.000 0.445 372 A N -1.004 121.925 122.820 0.182 0.000 1.873 372 A HA -0.027 4.386 4.320 0.155 0.000 0.215 372 A C 2.029 179.770 177.584 0.262 0.000 1.186 372 A CA 1.453 53.606 52.037 0.193 0.000 0.616 372 A CB -0.795 18.323 19.000 0.196 0.000 0.823 372 A HN 0.608 nan 8.150 nan 0.000 0.442 373 F N 1.173 121.225 119.950 0.170 0.000 2.120 373 F HA -0.159 4.461 4.527 0.155 0.000 0.300 373 F C 2.342 178.199 175.800 0.094 0.000 1.095 373 F CA 1.714 59.762 58.000 0.080 0.000 1.249 373 F CB -0.533 38.479 39.000 0.019 0.000 0.995 373 F HN 0.235 nan 8.300 nan 0.000 0.480 374 G N -1.545 107.490 108.800 0.391 0.000 2.433 374 G HA2 -0.373 3.681 3.960 0.155 0.000 0.216 374 G HA3 -0.373 3.681 3.960 0.155 0.000 0.216 374 G C 1.408 176.216 174.900 -0.152 0.000 1.186 374 G CA 1.209 46.437 45.100 0.214 0.000 0.779 374 G HN 0.540 nan 8.290 nan 0.000 0.543 375 H N -0.089 118.882 119.070 -0.166 0.000 2.319 375 H HA -0.069 4.581 4.556 0.156 0.000 0.297 375 H C 2.457 177.728 175.328 -0.095 0.000 1.097 375 H CA 1.583 57.523 56.048 -0.180 0.000 1.285 375 H CB -0.019 29.697 29.762 -0.078 0.000 1.368 375 H HN 0.246 nan 8.280 nan 0.000 0.495 376 L N -0.864 120.435 121.223 0.127 0.000 2.072 376 L HA -0.132 4.301 4.340 0.155 0.000 0.205 376 L C 2.105 178.982 176.870 0.011 0.000 1.079 376 L CA 1.447 56.334 54.840 0.077 0.000 0.752 376 L CB -1.254 40.829 42.059 0.039 0.000 0.906 376 L HN 0.348 nan 8.230 nan 0.000 0.436 377 Y N -1.051 119.124 120.300 -0.209 0.000 2.263 377 Y HA -0.195 4.448 4.550 0.155 0.000 0.292 377 Y C 2.412 178.361 175.900 0.081 0.000 1.130 377 Y CA 0.898 58.893 58.100 -0.176 0.000 1.179 377 Y CB -0.188 38.068 38.460 -0.340 0.000 0.998 377 Y HN 0.015 nan 8.280 nan 0.000 0.532 378 F N 0.548 120.455 119.950 -0.071 0.000 2.069 378 F HA -0.187 4.434 4.527 0.156 0.000 0.298 378 F C -0.297 175.262 175.800 -0.402 0.000 1.113 378 F CA 1.099 58.922 58.000 -0.296 0.000 1.214 378 F CB -2.467 36.407 39.000 -0.211 0.000 0.978 378 F HN 0.074 nan 8.300 nan 0.000 0.474 379 P HA -0.200 nan 4.420 nan 0.000 0.213 379 P C 1.754 179.066 177.300 0.019 0.000 1.170 379 P CA 2.022 65.082 63.100 -0.067 0.000 0.902 379 P CB -0.195 31.304 31.700 -0.335 0.000 0.789 380 R N -0.850 119.649 120.500 -0.002 0.000 2.091 380 R HA -0.114 4.319 4.340 0.155 0.000 0.238 380 R C 2.556 178.762 176.300 -0.156 0.000 1.136 380 R CA 1.705 57.774 56.100 -0.050 0.000 0.959 380 R CB -0.855 29.359 30.300 -0.144 0.000 0.856 380 R HN 0.267 nan 8.270 nan 0.000 0.437 381 M N -0.005 119.401 119.600 -0.324 0.000 2.099 381 M HA -0.165 4.408 4.480 0.155 0.000 0.262 381 M C 1.662 177.945 176.300 -0.028 0.000 1.067 381 M CA 1.777 56.920 55.300 -0.262 0.000 1.124 381 M CB -0.207 32.204 32.600 -0.316 0.000 1.353 381 M HN 0.115 nan 8.290 nan 0.000 0.410 382 H N 0.936 120.007 119.070 0.002 0.000 2.387 382 H HA -0.021 4.628 4.556 0.155 0.000 0.299 382 H C 1.790 177.120 175.328 0.003 0.000 1.090 382 H CA 1.515 57.564 56.048 0.002 0.000 1.332 382 H CB -0.446 29.327 29.762 0.020 0.000 1.386 382 H HN 0.517 nan 8.280 nan 0.000 0.516 383 R N 0.351 120.937 120.500 0.143 0.000 2.323 383 R HA 0.176 4.609 4.340 0.155 0.000 0.198 383 R C 1.399 177.734 176.300 0.057 0.000 0.988 383 R CA 0.530 56.686 56.100 0.093 0.000 1.041 383 R CB 0.403 30.770 30.300 0.111 0.000 0.926 383 R HN 0.148 nan 8.270 nan 0.000 0.476 384 A N 0.084 122.941 122.820 0.061 0.000 2.390 384 A HA 0.333 4.747 4.320 0.155 0.000 0.232 384 A C 1.227 178.877 177.584 0.110 0.000 1.233 384 A CA 0.409 52.483 52.037 0.062 0.000 0.907 384 A CB 0.429 19.451 19.000 0.036 0.000 0.967 384 A HN 0.327 nan 8.150 nan 0.000 0.512 385 G N -1.784 107.054 108.800 0.063 0.000 2.137 385 G HA2 -0.269 3.784 3.960 0.155 0.000 0.237 385 G HA3 -0.269 3.784 3.960 0.155 0.000 0.237 385 G C -0.192 174.574 174.900 -0.222 0.000 1.002 385 G CA 0.540 45.599 45.100 -0.069 0.000 0.702 385 G HN 0.482 nan 8.290 nan 0.000 0.515 386 Y N -1.725 118.566 120.300 -0.015 0.000 2.634 386 Y HA 0.696 5.339 4.550 0.155 0.000 0.340 386 Y C 0.449 176.386 175.900 0.062 0.000 1.058 386 Y CA -0.534 57.566 58.100 0.001 0.000 1.081 386 Y CB 2.314 40.775 38.460 0.001 0.000 1.295 386 Y HN 0.645 nan 8.280 nan 0.000 0.487 387 V N -0.676 119.362 119.914 0.206 0.000 3.001 387 V HA 0.946 5.160 4.120 0.155 0.000 0.314 387 V C -0.461 175.613 176.094 -0.033 0.000 1.099 387 V CA -1.316 61.006 62.300 0.036 0.000 0.989 387 V CB 1.337 32.978 31.823 -0.303 0.000 1.040 387 V HN 0.966 nan 8.190 nan 0.000 0.434 388 A N 3.899 126.602 122.820 -0.195 0.000 2.522 388 A HA 0.589 5.002 4.320 0.155 0.000 0.256 388 A C -2.068 175.215 177.584 -0.502 0.000 1.086 388 A CA -0.669 51.107 52.037 -0.435 0.000 0.763 388 A CB -0.888 17.825 19.000 -0.479 0.000 1.024 388 A HN 0.845 nan 8.150 nan 0.000 0.502 389 P HA 0.037 nan 4.420 nan 0.000 0.273 389 P C -0.131 177.014 177.300 -0.258 0.000 1.258 389 P CA -0.097 62.648 63.100 -0.591 0.000 0.802 389 P CB 0.486 31.696 31.700 -0.816 0.000 1.040 390 N N -0.568 118.099 118.700 -0.055 0.000 2.381 390 N HA 0.346 5.179 4.740 0.155 0.000 0.294 390 N C -0.758 174.728 175.510 -0.041 0.000 1.216 390 N CA -0.587 52.470 53.050 0.012 0.000 0.803 390 N CB 0.387 38.941 38.487 0.113 0.000 1.372 390 N HN 0.111 nan 8.380 nan 0.000 0.500 391 L N 0.790 121.994 121.223 -0.031 0.000 2.499 391 L HA 0.148 4.581 4.340 0.155 0.000 0.281 391 L C 1.732 178.606 176.870 0.007 0.000 1.234 391 L CA 1.259 56.082 54.840 -0.028 0.000 0.839 391 L CB -0.504 41.542 42.059 -0.022 0.000 1.104 391 L HN 0.905 nan 8.230 nan 0.000 0.500 392 G N 1.650 110.463 108.800 0.022 0.000 2.168 392 G HA2 -0.353 3.700 3.960 0.155 0.000 0.263 392 G HA3 -0.353 3.700 3.960 0.155 0.000 0.263 392 G C 0.985 175.937 174.900 0.087 0.000 0.977 392 G CA 0.678 45.808 45.100 0.050 0.000 0.659 392 G HN 0.689 nan 8.290 nan 0.000 0.533 393 E N -0.828 119.425 120.200 0.088 0.000 2.478 393 E HA 0.332 4.776 4.350 0.155 0.000 0.198 393 E C 0.644 177.319 176.600 0.126 0.000 1.046 393 E CA 0.815 57.280 56.400 0.109 0.000 0.870 393 E CB 0.134 29.872 29.700 0.063 0.000 0.818 393 E HN 0.397 nan 8.360 nan 0.000 0.527 394 V N 1.100 121.110 119.914 0.160 0.000 3.087 394 V HA 0.385 4.599 4.120 0.155 0.000 0.306 394 V C -2.588 173.678 176.094 0.287 0.000 1.187 394 V CA -1.546 60.855 62.300 0.169 0.000 0.999 394 V CB 2.335 34.199 31.823 0.068 0.000 1.049 394 V HN 0.045 nan 8.190 nan 0.000 0.431 395 P HA 0.531 nan 4.420 nan 0.000 0.304 395 P C -3.004 174.508 177.300 0.352 0.000 1.365 395 P CA -2.257 61.006 63.100 0.271 0.000 0.935 395 P CB 1.530 33.316 31.700 0.145 0.000 1.091 396 P HA 0.094 nan 4.420 nan 0.000 0.266 396 P C -0.524 176.951 177.300 0.293 0.000 1.193 396 P CA 0.568 63.887 63.100 0.365 0.000 0.770 396 P CB 0.204 32.003 31.700 0.166 0.000 0.836 397 H N 0.415 119.578 119.070 0.155 0.000 2.851 397 H HA 0.548 5.197 4.556 0.155 0.000 0.372 397 H C 0.662 176.034 175.328 0.074 0.000 1.158 397 H CA -0.748 55.354 56.048 0.089 0.000 1.159 397 H CB 1.911 31.711 29.762 0.064 0.000 1.757 397 H HN 0.335 nan 8.280 nan 0.000 0.546 398 A N 2.441 125.632 122.820 0.618 0.000 1.877 398 A HA -0.085 4.328 4.320 0.155 0.000 0.216 398 A C 1.051 178.753 177.584 0.197 0.000 1.186 398 A CA 1.145 53.386 52.037 0.339 0.000 0.620 398 A CB -0.935 18.204 19.000 0.233 0.000 0.822 398 A HN 1.373 nan 8.150 nan 0.000 0.443 399 S N -0.972 114.792 115.700 0.107 0.000 3.310 399 S HA -0.147 4.416 4.470 0.155 0.000 0.381 399 S C -0.578 174.002 174.600 -0.034 0.000 0.908 399 S CA 0.540 58.596 58.200 -0.241 0.000 1.333 399 S CB -1.931 60.981 63.200 -0.481 0.000 0.931 399 S HN 0.661 nan 8.310 nan 0.000 0.570 400 P HA -0.023 nan 4.420 nan 0.000 0.214 400 P C 1.539 178.858 177.300 0.032 0.000 1.163 400 P CA 1.733 64.863 63.100 0.050 0.000 0.889 400 P CB -0.880 30.858 31.700 0.064 0.000 0.790 401 G N -0.464 108.342 108.800 0.010 0.000 2.601 401 G HA2 0.234 4.288 3.960 0.155 0.000 0.252 401 G HA3 0.234 4.288 3.960 0.155 0.000 0.252 401 G C 0.098 175.050 174.900 0.087 0.000 1.294 401 G CA 0.249 45.350 45.100 0.001 0.000 0.912 401 G HN 1.025 nan 8.290 nan 0.000 0.574 402 G N -2.764 106.152 108.800 0.192 0.000 3.363 402 G HA2 0.565 4.619 3.960 0.155 0.000 0.685 402 G HA3 0.565 4.619 3.960 0.155 0.000 0.685 402 G C -1.018 174.065 174.900 0.306 0.000 1.199 402 G CA 0.350 45.592 45.100 0.237 0.000 0.946 402 G HN 2.373 nan 8.290 nan 0.000 0.558 403 Y N 1.996 122.305 120.300 0.014 0.000 2.513 403 Y HA 0.760 5.403 4.550 0.155 0.000 0.340 403 Y C -1.178 174.612 175.900 -0.183 0.000 1.055 403 Y CA -1.618 56.416 58.100 -0.109 0.000 1.020 403 Y CB 2.343 40.637 38.460 -0.277 0.000 1.301 403 Y HN 0.962 nan 8.280 nan 0.000 0.453 404 V N 7.306 127.018 119.914 -0.336 0.000 2.711 404 V HA 0.344 4.557 4.120 0.155 0.000 0.304 404 V C -0.572 175.110 176.094 -0.688 0.000 1.097 404 V CA -0.843 61.150 62.300 -0.512 0.000 0.906 404 V CB 1.910 33.614 31.823 -0.198 0.000 1.015 404 V HN 0.875 nan 8.190 nan 0.000 0.427 405 M N 5.027 124.136 119.600 -0.819 0.000 2.120 405 M HA 0.415 4.988 4.480 0.155 0.000 0.354 405 M C -0.184 175.948 176.300 -0.279 0.000 1.287 405 M CA -0.458 54.526 55.300 -0.527 0.000 1.103 405 M CB 0.642 32.928 32.600 -0.523 0.000 1.623 405 M HN 0.835 nan 8.290 nan 0.000 0.471 406 D N 3.765 124.096 120.400 -0.115 0.000 2.458 406 D HA 0.037 4.770 4.640 0.155 0.000 0.243 406 D C -0.314 175.982 176.300 -0.007 0.000 1.146 406 D CA -0.035 53.941 54.000 -0.040 0.000 0.877 406 D CB 0.734 41.543 40.800 0.015 0.000 1.176 406 D HN 0.472 nan 8.370 nan 0.000 0.461 407 S N 1.261 116.989 115.700 0.046 0.000 2.585 407 S HA 0.267 4.830 4.470 0.155 0.000 0.273 407 S C 0.206 174.879 174.600 0.121 0.000 1.339 407 S CA -0.629 57.649 58.200 0.129 0.000 1.028 407 S CB 0.333 63.628 63.200 0.158 0.000 0.906 407 S HN 0.479 nan 8.310 nan 0.000 0.528 408 R N 2.638 123.229 120.500 0.151 0.000 2.629 408 R HA 0.332 4.765 4.340 0.155 0.000 0.277 408 R C -2.547 173.882 176.300 0.215 0.000 1.637 408 R CA -1.764 54.435 56.100 0.164 0.000 1.663 408 R CB 1.035 31.427 30.300 0.153 0.000 1.228 408 R HN 0.456 nan 8.270 nan 0.000 0.632 409 P HA 0.217 nan 4.420 nan 0.000 0.266 409 P C -0.149 177.231 177.300 0.132 0.000 1.195 409 P CA 0.493 63.682 63.100 0.149 0.000 0.768 409 P CB 1.615 33.427 31.700 0.185 0.000 0.838 410 G N 1.408 110.085 108.800 -0.206 0.000 2.325 410 G HA2 0.404 4.458 3.960 0.155 0.000 0.295 410 G HA3 0.404 4.458 3.960 0.155 0.000 0.295 410 G C -2.362 171.882 174.900 -1.094 0.000 1.274 410 G CA -0.648 44.137 45.100 -0.525 0.000 0.857 410 G HN 0.691 nan 8.290 nan 0.000 0.499 411 L N -0.374 120.145 121.223 -1.173 0.000 2.386 411 L HA 0.922 5.355 4.340 0.155 0.000 0.271 411 L C -1.648 174.617 176.870 -1.009 0.000 0.993 411 L CA -0.882 53.426 54.840 -0.886 0.000 0.819 411 L CB 1.622 43.351 42.059 -0.550 0.000 1.294 411 L HN 0.638 nan 8.230 nan 0.000 0.414 412 Y N 1.425 121.577 120.300 -0.245 0.000 2.605 412 Y HA 0.578 5.221 4.550 0.155 0.000 0.343 412 Y C -0.683 175.228 175.900 0.018 0.000 1.036 412 Y CA -0.951 56.941 58.100 -0.347 0.000 1.065 412 Y CB 1.640 39.703 38.460 -0.662 0.000 1.288 412 Y HN 0.471 nan 8.280 nan 0.000 0.481 413 D N 0.753 121.430 120.400 0.463 0.000 2.256 413 D HA 0.315 5.048 4.640 0.155 0.000 0.240 413 D C -0.768 175.976 176.300 0.741 0.000 1.062 413 D CA 0.114 54.421 54.000 0.511 0.000 0.832 413 D CB 1.588 42.688 40.800 0.500 0.000 1.135 413 D HN 0.586 nan 8.370 nan 0.000 0.484 414 S N 0.567 116.560 115.700 0.488 0.000 3.416 414 S HA -0.111 4.452 4.470 0.155 0.000 0.534 414 S C -0.627 174.104 174.600 0.219 0.000 0.664 414 S CA -0.053 58.354 58.200 0.346 0.000 1.377 414 S CB -0.396 62.876 63.200 0.120 0.000 1.037 414 S HN 0.289 nan 8.310 nan 0.000 0.845 415 V N 5.785 125.776 119.914 0.128 0.000 2.789 415 V HA 0.686 4.899 4.120 0.155 0.000 0.311 415 V C -0.294 175.684 176.094 -0.194 0.000 1.073 415 V CA -0.863 61.377 62.300 -0.100 0.000 0.921 415 V CB 2.049 33.660 31.823 -0.352 0.000 1.009 415 V HN 0.592 nan 8.190 nan 0.000 0.426 416 L N 4.201 125.249 121.223 -0.290 0.000 2.341 416 L HA 0.650 5.083 4.340 0.155 0.000 0.278 416 L C -0.343 176.365 176.870 -0.269 0.000 1.005 416 L CA -0.201 54.499 54.840 -0.232 0.000 0.818 416 L CB 2.110 44.050 42.059 -0.198 0.000 1.259 416 L HN 0.448 nan 8.230 nan 0.000 0.418 417 V N 5.085 124.825 119.914 -0.289 0.000 2.370 417 V HA 0.511 4.724 4.120 0.155 0.000 0.279 417 V C -0.154 175.893 176.094 -0.078 0.000 1.029 417 V CA -0.569 61.552 62.300 -0.297 0.000 0.870 417 V CB 1.365 32.931 31.823 -0.429 0.000 0.984 417 V HN 0.465 nan 8.190 nan 0.000 0.451 418 L N 4.515 125.764 121.223 0.045 0.000 2.342 418 L HA 0.776 5.210 4.340 0.155 0.000 0.271 418 L C -0.515 176.395 176.870 0.067 0.000 1.008 418 L CA -0.239 54.634 54.840 0.055 0.000 0.818 418 L CB 1.961 44.054 42.059 0.057 0.000 1.296 418 L HN 0.494 nan 8.230 nan 0.000 0.427 419 D N -0.441 119.962 120.400 0.005 0.000 2.596 419 D HA 0.400 5.133 4.640 0.155 0.000 0.234 419 D C -1.610 174.664 176.300 -0.043 0.000 1.181 419 D CA -0.304 53.717 54.000 0.034 0.000 0.856 419 D CB 2.095 42.908 40.800 0.022 0.000 1.498 419 D HN 0.185 nan 8.370 nan 0.000 0.446 420 Y N 0.875 121.205 120.300 0.050 0.000 2.335 420 Y HA 0.237 4.880 4.550 0.155 0.000 0.338 420 Y C 0.689 176.613 175.900 0.041 0.000 0.977 420 Y CA -0.583 57.555 58.100 0.063 0.000 1.114 420 Y CB 1.445 39.937 38.460 0.053 0.000 1.182 420 Y HN -0.116 nan 8.280 nan 0.000 0.463 421 K N 2.703 123.237 120.400 0.223 0.000 2.436 421 K HA 0.006 4.419 4.320 0.155 0.000 0.282 421 K C 0.229 176.905 176.600 0.127 0.000 1.044 421 K CA 0.487 56.855 56.287 0.135 0.000 1.028 421 K CB 0.418 33.062 32.500 0.240 0.000 0.919 421 K HN 0.916 nan 8.250 nan 0.000 0.474 422 S N 2.663 118.322 115.700 -0.068 0.000 3.280 422 S HA -0.178 4.385 4.470 0.155 0.000 0.349 422 S C 1.068 175.735 174.600 0.111 0.000 0.936 422 S CA 0.188 58.330 58.200 -0.097 0.000 1.301 422 S CB -0.837 62.097 63.200 -0.444 0.000 0.907 422 S HN 0.599 nan 8.310 nan 0.000 0.516 423 L N 1.836 123.091 121.223 0.052 0.000 2.017 423 L HA -0.071 4.362 4.340 0.155 0.000 0.208 423 L C 1.945 178.943 176.870 0.214 0.000 1.073 423 L CA 2.004 56.897 54.840 0.088 0.000 0.745 423 L CB -0.627 41.397 42.059 -0.058 0.000 0.894 423 L HN 0.627 nan 8.230 nan 0.000 0.432 424 Y N -0.182 120.106 120.300 -0.021 0.000 2.274 424 Y HA -0.062 4.581 4.550 0.155 0.000 0.290 424 Y C -0.211 175.752 175.900 0.105 0.000 1.145 424 Y CA 0.417 58.511 58.100 -0.010 0.000 1.203 424 Y CB -2.317 36.081 38.460 -0.103 0.000 0.984 424 Y HN 0.321 nan 8.280 nan 0.000 0.533 425 P HA -0.043 nan 4.420 nan 0.000 0.220 425 P C 1.948 179.462 177.300 0.357 0.000 1.152 425 P CA 1.702 65.014 63.100 0.353 0.000 0.812 425 P CB 0.168 32.083 31.700 0.358 0.000 0.792 426 S N -0.309 115.633 115.700 0.402 0.000 2.359 426 S HA -0.195 4.369 4.470 0.155 0.000 0.222 426 S C 1.855 176.496 174.600 0.068 0.000 1.038 426 S CA 1.320 59.649 58.200 0.215 0.000 1.051 426 S CB -1.221 62.101 63.200 0.204 0.000 0.944 426 S HN 0.105 nan 8.310 nan 0.000 0.433 427 I N 1.321 121.969 120.570 0.130 0.000 2.163 427 I HA -0.227 4.036 4.170 0.155 0.000 0.243 427 I C 2.112 178.298 176.117 0.115 0.000 1.085 427 I CA 1.302 62.704 61.300 0.171 0.000 1.347 427 I CB -0.491 37.591 38.000 0.136 0.000 1.044 427 I HN 0.282 nan 8.210 nan 0.000 0.408 428 I N 0.813 121.435 120.570 0.086 0.000 2.163 428 I HA -0.323 3.940 4.170 0.155 0.000 0.243 428 I C 2.768 178.854 176.117 -0.052 0.000 1.085 428 I CA 1.678 62.993 61.300 0.024 0.000 1.347 428 I CB -0.518 37.545 38.000 0.105 0.000 1.044 428 I HN 0.315 nan 8.210 nan 0.000 0.408 429 R N 0.120 120.587 120.500 -0.054 0.000 2.093 429 R HA -0.031 4.402 4.340 0.155 0.000 0.224 429 R C 2.169 178.338 176.300 -0.217 0.000 1.101 429 R CA 1.581 57.591 56.100 -0.150 0.000 0.979 429 R CB -1.060 29.136 30.300 -0.174 0.000 0.877 429 R HN 0.259 nan 8.270 nan 0.000 0.441 430 T N 1.467 115.877 114.554 -0.239 0.000 2.674 430 T HA -0.085 4.358 4.350 0.155 0.000 0.265 430 T C 1.154 175.537 174.700 -0.528 0.000 1.039 430 T CA 1.380 63.224 62.100 -0.426 0.000 1.150 430 T CB -0.223 68.280 68.868 -0.608 0.000 0.864 430 T HN 0.113 nan 8.240 nan 0.000 0.427 431 F N 0.972 120.824 119.950 -0.163 0.000 2.773 431 F HA 0.415 5.035 4.527 0.155 0.000 0.304 431 F C 0.739 176.389 175.800 -0.251 0.000 1.129 431 F CA -0.341 57.552 58.000 -0.179 0.000 1.378 431 F CB -0.740 38.154 39.000 -0.177 0.000 1.095 431 F HN -0.008 nan 8.300 nan 0.000 0.565 432 L N 0.656 121.778 121.223 -0.168 0.000 3.677 432 L HA -0.256 4.177 4.340 0.155 0.000 0.464 432 L C -0.697 175.949 176.870 -0.374 0.000 1.278 432 L CA 0.030 54.715 54.840 -0.259 0.000 0.806 432 L CB -1.796 40.184 42.059 -0.132 0.000 1.610 432 L HN 0.013 nan 8.230 nan 0.000 0.867 433 I N 1.143 121.435 120.570 -0.464 0.000 2.312 433 I HA 0.333 4.596 4.170 0.155 0.000 0.291 433 I C 0.313 176.263 176.117 -0.278 0.000 1.031 433 I CA 0.580 61.413 61.300 -0.779 0.000 1.293 433 I CB 1.199 38.880 38.000 -0.531 0.000 1.403 433 I HN 0.179 nan 8.210 nan 0.000 0.484 434 D N 7.122 127.498 120.400 -0.039 0.000 2.661 434 D HA 0.434 5.168 4.640 0.155 0.000 0.228 434 D C -2.382 174.078 176.300 0.266 0.000 1.210 434 D CA -1.831 52.262 54.000 0.156 0.000 0.826 434 D CB 2.606 43.538 40.800 0.221 0.000 1.542 434 D HN 0.014 nan 8.370 nan 0.000 0.447 435 P HA -0.028 nan 4.420 nan 0.000 0.215 435 P C 1.376 178.789 177.300 0.187 0.000 1.157 435 P CA 0.565 63.808 63.100 0.237 0.000 0.859 435 P CB 0.363 32.173 31.700 0.183 0.000 0.786 436 V N -0.364 119.637 119.914 0.145 0.000 2.809 436 V HA -0.073 4.140 4.120 0.155 0.000 0.256 436 V C 2.361 178.335 176.094 -0.199 0.000 1.080 436 V CA 2.238 64.375 62.300 -0.271 0.000 1.102 436 V CB -1.571 30.120 31.823 -0.220 0.000 0.705 436 V HN 0.183 nan 8.190 nan 0.000 0.475 437 G N -0.342 108.501 108.800 0.071 0.000 2.448 437 G HA2 -0.183 3.870 3.960 0.155 0.000 0.218 437 G HA3 -0.183 3.870 3.960 0.155 0.000 0.218 437 G C 1.526 176.496 174.900 0.117 0.000 1.135 437 G CA 0.807 46.010 45.100 0.170 0.000 0.784 437 G HN 0.477 nan 8.290 nan 0.000 0.543 438 L N 0.683 121.947 121.223 0.067 0.000 2.072 438 L HA 0.076 4.509 4.340 0.155 0.000 0.205 438 L C 2.816 179.581 176.870 -0.174 0.000 1.079 438 L CA 1.260 55.981 54.840 -0.199 0.000 0.752 438 L CB -0.336 41.635 42.059 -0.148 0.000 0.906 438 L HN 0.043 nan 8.230 nan 0.000 0.436 439 V N -0.136 119.646 119.914 -0.220 0.000 2.261 439 V HA -0.230 3.984 4.120 0.155 0.000 0.246 439 V C 2.667 178.643 176.094 -0.197 0.000 1.047 439 V CA 1.921 64.049 62.300 -0.288 0.000 1.015 439 V CB -0.651 30.790 31.823 -0.635 0.000 0.642 439 V HN 0.458 nan 8.190 nan 0.000 0.446 440 E N 0.334 120.417 120.200 -0.194 0.000 2.150 440 E HA -0.099 4.344 4.350 0.155 0.000 0.193 440 E C 2.141 178.710 176.600 -0.052 0.000 0.985 440 E CA 1.355 57.709 56.400 -0.077 0.000 0.814 440 E CB -0.353 29.321 29.700 -0.042 0.000 0.752 440 E HN 0.615 nan 8.360 nan 0.000 0.466 441 G N -0.188 108.591 108.800 -0.035 0.000 3.088 441 G HA2 -0.040 4.013 3.960 0.155 0.000 0.217 441 G HA3 -0.040 4.013 3.960 0.155 0.000 0.217 441 G C 1.184 176.074 174.900 -0.016 0.000 1.159 441 G CA -0.199 44.907 45.100 0.009 0.000 0.760 441 G HN 0.056 nan 8.290 nan 0.000 0.550 442 M N 0.877 120.436 119.600 -0.070 0.000 2.495 442 M HA 0.493 5.067 4.480 0.155 0.000 0.237 442 M C 1.838 178.083 176.300 -0.091 0.000 1.131 442 M CA -0.155 55.105 55.300 -0.067 0.000 1.032 442 M CB 0.442 32.993 32.600 -0.080 0.000 1.513 442 M HN 0.117 nan 8.290 nan 0.000 0.488 443 A N -0.954 121.806 122.820 -0.101 0.000 2.470 443 A HA 0.355 4.769 4.320 0.155 0.000 0.251 443 A C 0.494 177.977 177.584 -0.169 0.000 1.245 443 A CA -0.091 51.879 52.037 -0.112 0.000 0.932 443 A CB 0.173 19.127 19.000 -0.078 0.000 1.037 443 A HN 0.443 nan 8.150 nan 0.000 0.522 444 Q N 0.269 119.944 119.800 -0.209 0.000 3.449 444 Q HA 0.138 4.571 4.340 0.155 0.000 0.272 444 Q C -2.683 173.120 176.000 -0.329 0.000 0.787 444 Q CA -1.177 54.452 55.803 -0.291 0.000 0.904 444 Q CB 1.620 30.108 28.738 -0.416 0.000 1.536 444 Q HN 0.220 nan 8.270 nan 0.000 0.387 445 P HA -0.014 nan 4.420 nan 0.000 0.238 445 P C -1.112 175.358 177.300 -1.383 0.000 1.714 445 P CA 0.366 62.755 63.100 -1.185 0.000 0.908 445 P CB -0.614 30.471 31.700 -1.024 0.000 1.893 446 D N -1.279 118.638 120.400 -0.805 0.000 2.646 446 D HA 0.243 4.976 4.640 0.155 0.000 0.245 446 D C -2.482 173.712 176.300 -0.178 0.000 1.099 446 D CA -2.736 50.982 54.000 -0.470 0.000 0.849 446 D CB 1.098 41.809 40.800 -0.149 0.000 1.448 446 D HN -0.116 nan 8.370 nan 0.000 0.489 447 P HA -0.033 nan 4.420 nan 0.000 0.277 447 P C 0.000 177.384 177.300 0.139 0.000 1.617 447 P CA 0.447 63.746 63.100 0.332 0.000 0.829 447 P CB 0.246 32.161 31.700 0.359 0.000 1.774 448 E N 0.114 120.332 120.200 0.030 0.000 2.453 448 E HA 0.006 4.449 4.350 0.155 0.000 0.211 448 E C 0.444 176.920 176.600 -0.206 0.000 0.897 448 E CA 0.076 56.378 56.400 -0.164 0.000 1.063 448 E CB 0.456 29.930 29.700 -0.376 0.000 1.080 448 E HN 0.503 nan 8.360 nan 0.000 0.512 449 H N -0.542 118.568 119.070 0.066 0.000 2.549 449 H HA 0.454 5.103 4.556 0.155 0.000 0.253 449 H C -0.571 174.844 175.328 0.145 0.000 1.170 449 H CA -0.431 55.662 56.048 0.075 0.000 0.943 449 H CB 0.855 30.634 29.762 0.028 0.000 1.849 449 H HN -0.126 nan 8.280 nan 0.000 0.603 450 S N 0.673 116.592 115.700 0.366 0.000 2.645 450 S HA 0.314 4.877 4.470 0.155 0.000 0.268 450 S C -0.641 174.262 174.600 0.505 0.000 1.110 450 S CA -0.932 57.548 58.200 0.466 0.000 0.823 450 S CB 2.143 65.701 63.200 0.597 0.000 1.091 450 S HN 0.342 nan 8.310 nan 0.000 0.466 451 T N -0.317 114.445 114.554 0.345 0.000 2.876 451 T HA 0.645 5.088 4.350 0.155 0.000 0.289 451 T C -0.676 173.766 174.700 -0.430 0.000 1.014 451 T CA -0.825 61.300 62.100 0.043 0.000 0.986 451 T CB 1.914 70.857 68.868 0.125 0.000 1.021 451 T HN 0.617 nan 8.240 nan 0.000 0.458 452 E N 0.487 120.134 120.200 -0.923 0.000 2.392 452 E HA 0.460 4.903 4.350 0.155 0.000 0.264 452 E C 0.566 176.811 176.600 -0.592 0.000 1.024 452 E CA -0.039 55.614 56.400 -1.246 0.000 0.903 452 E CB 0.400 29.484 29.700 -1.027 0.000 0.963 452 E HN 0.818 nan 8.360 nan 0.000 0.432 453 G N 2.880 111.387 108.800 -0.488 0.000 3.341 453 G HA2 0.443 4.496 3.960 0.155 0.000 0.177 453 G HA3 0.443 4.496 3.960 0.155 0.000 0.177 453 G C -1.125 173.526 174.900 -0.416 0.000 1.236 453 G CA -0.523 44.506 45.100 -0.118 0.000 0.888 453 G HN 0.473 nan 8.290 nan 0.000 0.644 454 F N -1.432 118.454 119.950 -0.106 0.000 2.593 454 F HA 0.555 5.175 4.527 0.155 0.000 0.320 454 F C -0.095 175.645 175.800 -0.100 0.000 1.060 454 F CA -0.485 57.438 58.000 -0.128 0.000 0.940 454 F CB 2.208 41.122 39.000 -0.143 0.000 1.268 454 F HN 0.147 nan 8.300 nan 0.000 0.475 455 L N 1.692 122.962 121.223 0.078 0.000 3.981 455 L HA -0.224 4.209 4.340 0.155 0.000 0.403 455 L C -0.624 176.257 176.870 0.019 0.000 1.192 455 L CA 0.194 55.062 54.840 0.046 0.000 0.910 455 L CB -2.396 39.682 42.059 0.031 0.000 2.088 455 L HN 0.712 nan 8.230 nan 0.000 0.769 456 D N -2.403 117.986 120.400 -0.018 0.000 2.697 456 D HA -0.098 4.636 4.640 0.155 0.000 0.238 456 D C 0.620 176.947 176.300 0.046 0.000 1.152 456 D CA 1.325 55.347 54.000 0.035 0.000 0.666 456 D CB -0.803 40.053 40.800 0.093 0.000 1.037 456 D HN 0.805 nan 8.370 nan 0.000 0.423 457 A N -0.344 122.403 122.820 -0.122 0.000 2.337 457 A HA 0.691 5.105 4.320 0.155 0.000 0.329 457 A C -0.811 176.510 177.584 -0.438 0.000 1.146 457 A CA -0.644 51.267 52.037 -0.209 0.000 0.800 457 A CB 1.276 20.145 19.000 -0.218 0.000 1.220 457 A HN 0.178 nan 8.150 nan 0.000 0.472 458 W N 0.807 121.812 121.300 -0.491 0.000 2.883 458 W HA 0.665 5.418 4.660 0.155 0.000 0.335 458 W C -1.320 174.831 176.519 -0.613 0.000 1.083 458 W CA -0.227 56.895 57.345 -0.371 0.000 1.233 458 W CB 1.819 31.172 29.460 -0.179 0.000 1.412 458 W HN 0.516 nan 8.180 nan 0.000 0.490 459 F N 1.982 122.044 119.950 0.187 0.000 2.458 459 F HA 0.428 5.048 4.527 0.155 0.000 0.336 459 F C 0.897 176.815 175.800 0.197 0.000 1.114 459 F CA -0.837 57.253 58.000 0.149 0.000 0.987 459 F CB 1.639 40.692 39.000 0.089 0.000 1.130 459 F HN 0.123 nan 8.300 nan 0.000 0.458 460 S N 1.810 117.688 115.700 0.297 0.000 2.580 460 S HA 0.150 4.713 4.470 0.155 0.000 0.261 460 S C 1.364 176.147 174.600 0.304 0.000 1.366 460 S CA -0.119 58.226 58.200 0.241 0.000 0.996 460 S CB 0.615 63.900 63.200 0.141 0.000 0.902 460 S HN 0.730 nan 8.310 nan 0.000 0.566 461 R N 0.417 121.062 120.500 0.240 0.000 2.279 461 R HA 0.206 4.639 4.340 0.155 0.000 0.195 461 R C 1.052 177.450 176.300 0.163 0.000 0.905 461 R CA 0.134 56.378 56.100 0.240 0.000 1.044 461 R CB 0.149 30.557 30.300 0.180 0.000 1.056 461 R HN 0.596 nan 8.270 nan 0.000 0.535 462 E N 0.177 120.397 120.200 0.034 0.000 2.465 462 E HA 0.131 4.574 4.350 0.155 0.000 0.209 462 E C -0.053 176.369 176.600 -0.296 0.000 0.951 462 E CA 0.240 56.567 56.400 -0.122 0.000 0.997 462 E CB 0.959 30.642 29.700 -0.029 0.000 1.025 462 E HN -0.041 nan 8.360 nan 0.000 0.500 463 K N 1.922 122.199 120.400 -0.205 0.000 2.464 463 K HA 0.247 4.660 4.320 0.155 0.000 0.252 463 K C -0.560 175.971 176.600 -0.116 0.000 1.000 463 K CA -0.170 56.010 56.287 -0.179 0.000 0.951 463 K CB 0.979 33.453 32.500 -0.043 0.000 1.183 463 K HN 0.252 nan 8.250 nan 0.000 0.445 464 H N -1.011 118.072 119.070 0.022 0.000 3.024 464 H HA 0.260 4.909 4.556 0.155 0.000 0.324 464 H C -0.492 174.832 175.328 -0.006 0.000 1.347 464 H CA -0.869 55.196 56.048 0.029 0.000 1.182 464 H CB 0.856 30.654 29.762 0.060 0.000 1.889 464 H HN 0.405 nan 8.280 nan 0.000 0.528 465 C N 0.255 119.674 119.300 0.199 0.000 2.878 465 C HA 0.088 4.641 4.460 0.155 0.000 0.490 465 C C 2.334 177.371 174.990 0.077 0.000 1.339 465 C CA -0.016 59.026 59.018 0.040 0.000 2.353 465 C CB -0.570 26.974 27.740 -0.326 0.000 3.174 465 C HN 0.697 nan 8.230 nan 0.000 0.569 466 L N 2.392 123.715 121.223 0.168 0.000 2.017 466 L HA 0.030 4.463 4.340 0.155 0.000 0.208 466 L C -0.770 176.113 176.870 0.022 0.000 1.073 466 L CA 2.309 57.200 54.840 0.085 0.000 0.745 466 L CB -1.681 40.426 42.059 0.080 0.000 0.894 466 L HN 0.079 nan 8.230 nan 0.000 0.432 467 P HA -0.229 nan 4.420 nan 0.000 0.217 467 P C 1.357 178.626 177.300 -0.051 0.000 1.162 467 P CA 2.061 65.085 63.100 -0.126 0.000 0.901 467 P CB -0.208 31.258 31.700 -0.390 0.000 0.793 468 E N -0.705 119.495 120.200 -0.001 0.000 2.106 468 E HA -0.113 4.330 4.350 0.155 0.000 0.192 468 E C 2.241 178.852 176.600 0.018 0.000 0.984 468 E CA 0.980 57.386 56.400 0.010 0.000 0.806 468 E CB -1.190 28.535 29.700 0.043 0.000 0.750 468 E HN 0.297 nan 8.360 nan 0.000 0.458 469 I N 1.594 122.184 120.570 0.034 0.000 2.208 469 I HA -0.210 4.053 4.170 0.155 0.000 0.245 469 I C 2.636 178.835 176.117 0.136 0.000 1.097 469 I CA 1.477 62.812 61.300 0.059 0.000 1.363 469 I CB -0.234 37.773 38.000 0.013 0.000 1.051 469 I HN 0.063 nan 8.210 nan 0.000 0.413 470 V N -0.623 119.396 119.914 0.175 0.000 3.235 470 V HA -0.130 4.083 4.120 0.155 0.000 0.259 470 V C 2.365 178.553 176.094 0.157 0.000 1.133 470 V CA 1.917 64.374 62.300 0.262 0.000 1.128 470 V CB -0.301 31.744 31.823 0.370 0.000 0.757 470 V HN 0.566 nan 8.190 nan 0.000 0.469 471 T N -1.037 113.524 114.554 0.011 0.000 2.812 471 T HA -0.168 4.275 4.350 0.155 0.000 0.264 471 T C 1.738 176.293 174.700 -0.242 0.000 1.042 471 T CA 1.977 63.962 62.100 -0.192 0.000 1.140 471 T CB -0.927 67.749 68.868 -0.320 0.000 0.870 471 T HN 0.671 nan 8.240 nan 0.000 0.445 472 N N 0.601 119.255 118.700 -0.078 0.000 2.205 472 N HA -0.013 4.821 4.740 0.155 0.000 0.186 472 N C 1.900 177.463 175.510 0.089 0.000 1.015 472 N CA 1.400 54.459 53.050 0.015 0.000 0.862 472 N CB -0.245 38.270 38.487 0.046 0.000 0.986 472 N HN 0.443 nan 8.380 nan 0.000 0.429 473 I N 0.023 120.660 120.570 0.111 0.000 2.353 473 I HA -0.226 4.038 4.170 0.155 0.000 0.248 473 I C 2.277 178.494 176.117 0.166 0.000 1.119 473 I CA 0.704 62.081 61.300 0.129 0.000 1.417 473 I CB -0.170 37.904 38.000 0.125 0.000 1.078 473 I HN 0.395 nan 8.210 nan 0.000 0.421 474 W N 1.827 123.105 121.300 -0.037 0.000 2.378 474 W HA -0.199 4.554 4.660 0.156 0.000 0.313 474 W C 2.728 179.298 176.519 0.084 0.000 1.197 474 W CA 1.668 59.007 57.345 -0.010 0.000 1.304 474 W CB -0.701 28.718 29.460 -0.068 0.000 1.148 474 W HN 0.244 nan 8.180 nan 0.000 0.494 475 H N -0.603 118.690 119.070 0.373 0.000 2.319 475 H HA -0.123 4.526 4.556 0.155 0.000 0.297 475 H C 2.467 177.890 175.328 0.158 0.000 1.097 475 H CA 1.828 58.011 56.048 0.225 0.000 1.285 475 H CB -1.339 28.498 29.762 0.124 0.000 1.368 475 H HN 0.226 nan 8.280 nan 0.000 0.495 476 G N 0.876 109.834 108.800 0.262 0.000 2.418 476 G HA2 -0.274 3.779 3.960 0.155 0.000 0.217 476 G HA3 -0.274 3.779 3.960 0.155 0.000 0.217 476 G C 2.012 176.982 174.900 0.117 0.000 1.158 476 G CA 0.602 45.796 45.100 0.157 0.000 0.771 476 G HN 0.223 nan 8.290 nan 0.000 0.545 477 R N 1.053 121.612 120.500 0.099 0.000 2.082 477 R HA -0.098 4.336 4.340 0.155 0.000 0.234 477 R C 2.118 178.439 176.300 0.035 0.000 1.136 477 R CA 1.951 58.064 56.100 0.022 0.000 0.935 477 R CB -1.011 29.242 30.300 -0.078 0.000 0.842 477 R HN 0.219 nan 8.270 nan 0.000 0.430 478 D N 0.227 120.679 120.400 0.087 0.000 2.218 478 D HA -0.157 4.577 4.640 0.155 0.000 0.204 478 D C 1.781 178.134 176.300 0.089 0.000 0.976 478 D CA 1.193 55.252 54.000 0.098 0.000 0.853 478 D CB -0.126 40.797 40.800 0.205 0.000 0.939 478 D HN 0.336 nan 8.370 nan 0.000 0.481 479 E N 0.933 121.195 120.200 0.103 0.000 2.072 479 E HA -0.081 4.362 4.350 0.155 0.000 0.191 479 E C 1.875 178.509 176.600 0.058 0.000 0.985 479 E CA 1.501 57.948 56.400 0.079 0.000 0.801 479 E CB -0.468 29.284 29.700 0.087 0.000 0.750 479 E HN 0.116 nan 8.360 nan 0.000 0.452 480 A N 1.775 124.627 122.820 0.054 0.000 1.908 480 A HA -0.191 4.222 4.320 0.155 0.000 0.218 480 A C 1.441 179.046 177.584 0.035 0.000 1.181 480 A CA 1.831 53.894 52.037 0.043 0.000 0.627 480 A CB -0.789 18.232 19.000 0.035 0.000 0.818 480 A HN 0.456 nan 8.150 nan 0.000 0.445 481 K N -1.897 118.520 120.400 0.029 0.000 2.386 481 K HA 0.290 4.703 4.320 0.155 0.000 0.249 481 K C 0.432 177.049 176.600 0.030 0.000 1.055 481 K CA -0.148 56.153 56.287 0.023 0.000 0.930 481 K CB 0.121 32.629 32.500 0.013 0.000 1.230 481 K HN 0.135 nan 8.250 nan 0.000 0.507 482 R N 0.289 120.804 120.500 0.026 0.000 3.205 482 R HA -0.250 4.183 4.340 0.155 0.000 0.249 482 R C -0.541 175.777 176.300 0.030 0.000 0.937 482 R CA 1.963 58.080 56.100 0.028 0.000 0.641 482 R CB -2.409 27.911 30.300 0.032 0.000 1.114 482 R HN 1.038 nan 8.270 nan 0.000 0.451 483 Q N -1.866 117.951 119.800 0.029 0.000 5.799 483 Q HA -0.014 4.419 4.340 0.155 0.000 0.279 483 Q C 0.766 176.785 176.000 0.032 0.000 0.917 483 Q CA 0.733 56.555 55.803 0.032 0.000 0.622 483 Q CB -0.738 28.022 28.738 0.037 0.000 0.671 483 Q HN 1.236 nan 8.270 nan 0.000 0.746 484 G N 2.473 111.290 108.800 0.028 0.000 2.258 484 G HA2 -0.312 3.741 3.960 0.155 0.000 0.274 484 G HA3 -0.312 3.741 3.960 0.155 0.000 0.274 484 G C -0.112 174.808 174.900 0.034 0.000 1.021 484 G CA 0.804 45.921 45.100 0.029 0.000 0.798 484 G HN 0.281 nan 8.290 nan 0.000 0.507 485 N N 0.342 119.063 118.700 0.035 0.000 3.331 485 N HA 0.200 5.033 4.740 0.155 0.000 0.303 485 N C 1.717 177.252 175.510 0.042 0.000 1.326 485 N CA -0.014 53.060 53.050 0.041 0.000 1.207 485 N CB -0.104 38.407 38.487 0.041 0.000 1.477 485 N HN 0.529 nan 8.380 nan 0.000 0.541 486 K N 0.597 121.023 120.400 0.043 0.000 2.107 486 K HA -0.174 4.239 4.320 0.155 0.000 0.211 486 K C -0.801 175.837 176.600 0.063 0.000 1.049 486 K CA 1.821 58.136 56.287 0.045 0.000 0.927 486 K CB -0.554 31.975 32.500 0.048 0.000 0.714 486 K HN 0.417 nan 8.250 nan 0.000 0.452 487 P HA -0.215 nan 4.420 nan 0.000 0.215 487 P C 1.463 178.802 177.300 0.064 0.000 1.153 487 P CA 1.432 64.601 63.100 0.115 0.000 0.853 487 P CB 0.003 31.777 31.700 0.124 0.000 0.788 488 L N -0.519 120.728 121.223 0.040 0.000 2.027 488 L HA -0.125 4.308 4.340 0.155 0.000 0.206 488 L C 2.540 179.412 176.870 0.003 0.000 1.074 488 L CA 1.882 56.732 54.840 0.016 0.000 0.745 488 L CB -0.763 41.313 42.059 0.029 0.000 0.898 488 L HN 0.020 nan 8.230 nan 0.000 0.433 489 S N -0.527 115.179 115.700 0.010 0.000 2.348 489 S HA -0.310 4.253 4.470 0.155 0.000 0.221 489 S C 1.693 176.278 174.600 -0.024 0.000 1.033 489 S CA 1.762 59.955 58.200 -0.011 0.000 1.010 489 S CB -0.315 62.879 63.200 -0.010 0.000 0.891 489 S HN 0.453 nan 8.310 nan 0.000 0.442 490 Q N 1.559 121.361 119.800 0.004 0.000 2.112 490 Q HA -0.165 4.268 4.340 0.155 0.000 0.206 490 Q C 2.052 178.050 176.000 -0.003 0.000 0.987 490 Q CA 1.851 57.663 55.803 0.014 0.000 0.858 490 Q CB -0.529 28.260 28.738 0.085 0.000 0.905 490 Q HN 0.499 nan 8.270 nan 0.000 0.420 491 A N 0.373 123.176 122.820 -0.028 0.000 1.908 491 A HA -0.166 4.247 4.320 0.155 0.000 0.218 491 A C 2.091 179.631 177.584 -0.072 0.000 1.181 491 A CA 1.545 53.526 52.037 -0.093 0.000 0.627 491 A CB -0.765 18.146 19.000 -0.147 0.000 0.818 491 A HN 0.486 nan 8.150 nan 0.000 0.445 492 L N -0.843 120.345 121.223 -0.057 0.000 2.056 492 L HA -0.163 4.271 4.340 0.155 0.000 0.207 492 L C 2.659 179.464 176.870 -0.108 0.000 1.078 492 L CA 1.455 56.258 54.840 -0.062 0.000 0.749 492 L CB -0.324 41.714 42.059 -0.035 0.000 0.901 492 L HN 0.310 nan 8.230 nan 0.000 0.433 493 K N 0.255 120.582 120.400 -0.123 0.000 2.026 493 K HA -0.169 4.244 4.320 0.155 0.000 0.208 493 K C 2.108 178.612 176.600 -0.160 0.000 1.048 493 K CA 1.500 57.683 56.287 -0.173 0.000 0.929 493 K CB -0.259 32.141 32.500 -0.166 0.000 0.713 493 K HN 0.274 nan 8.250 nan 0.000 0.439 494 I N 1.711 122.220 120.570 -0.103 0.000 2.151 494 I HA -0.350 3.913 4.170 0.155 0.000 0.243 494 I C 2.342 178.385 176.117 -0.123 0.000 1.080 494 I CA 1.442 62.702 61.300 -0.067 0.000 1.339 494 I CB -0.534 37.481 38.000 0.025 0.000 1.039 494 I HN 0.197 nan 8.210 nan 0.000 0.409 495 I N 0.238 120.703 120.570 -0.175 0.000 2.076 495 I HA -0.345 3.918 4.170 0.155 0.000 0.237 495 I C 2.816 178.480 176.117 -0.754 0.000 1.059 495 I CA 1.966 63.070 61.300 -0.325 0.000 1.317 495 I CB -1.029 36.809 38.000 -0.270 0.000 1.037 495 I HN 0.236 nan 8.210 nan 0.000 0.398 496 M N 1.517 120.682 119.600 -0.725 0.000 2.143 496 M HA -0.202 4.371 4.480 0.155 0.000 0.258 496 M C 1.419 177.477 176.300 -0.405 0.000 1.071 496 M CA 2.323 57.150 55.300 -0.789 0.000 1.088 496 M CB -1.277 31.180 32.600 -0.239 0.000 1.360 496 M HN 0.224 nan 8.290 nan 0.000 0.404 497 N N 1.194 119.749 118.700 -0.242 0.000 2.512 497 N HA 0.116 4.949 4.740 0.155 0.000 0.183 497 N C 1.523 177.043 175.510 0.017 0.000 1.073 497 N CA 1.259 54.261 53.050 -0.080 0.000 0.911 497 N CB -0.116 38.313 38.487 -0.096 0.000 0.964 497 N HN 0.596 nan 8.380 nan 0.000 0.447 498 A N -0.914 121.875 122.820 -0.052 0.000 2.275 498 A HA 0.171 4.584 4.320 0.155 0.000 0.212 498 A C 1.021 178.793 177.584 0.313 0.000 1.201 498 A CA -0.005 52.102 52.037 0.117 0.000 0.843 498 A CB -0.330 18.730 19.000 0.099 0.000 0.873 498 A HN 0.064 nan 8.150 nan 0.000 0.492 499 F N -1.257 118.846 119.950 0.255 0.000 2.163 499 F HA -0.066 4.554 4.527 0.155 0.000 0.297 499 F C 2.078 178.013 175.800 0.226 0.000 1.094 499 F CA 0.589 58.769 58.000 0.300 0.000 1.290 499 F CB -1.350 37.856 39.000 0.344 0.000 1.017 499 F HN 0.555 nan 8.300 nan 0.000 0.483 500 Y N 0.748 121.263 120.300 0.358 0.000 2.274 500 Y HA -0.060 4.583 4.550 0.155 0.000 0.290 500 Y C 2.404 178.404 175.900 0.167 0.000 1.145 500 Y CA 1.459 59.694 58.100 0.226 0.000 1.203 500 Y CB -0.787 37.852 38.460 0.298 0.000 0.984 500 Y HN 0.011 nan 8.280 nan 0.000 0.533 501 G N 0.420 109.357 108.800 0.228 0.000 2.446 501 G HA2 -0.285 3.768 3.960 0.155 0.000 0.217 501 G HA3 -0.285 3.768 3.960 0.155 0.000 0.217 501 G C 1.626 176.502 174.900 -0.039 0.000 1.168 501 G CA 2.123 47.266 45.100 0.072 0.000 0.771 501 G HN 0.481 nan 8.290 nan 0.000 0.551 502 V N 0.211 120.134 119.914 0.016 0.000 2.255 502 V HA -0.165 4.049 4.120 0.155 0.000 0.247 502 V C 2.815 178.813 176.094 -0.160 0.000 1.051 502 V CA 1.684 63.940 62.300 -0.073 0.000 1.018 502 V CB -1.047 30.676 31.823 -0.166 0.000 0.641 502 V HN 0.316 nan 8.190 nan 0.000 0.445 503 L N 1.203 122.286 121.223 -0.234 0.000 2.189 503 L HA -0.077 4.356 4.340 0.155 0.000 0.214 503 L C 2.499 179.335 176.870 -0.058 0.000 1.097 503 L CA 1.622 56.342 54.840 -0.200 0.000 0.764 503 L CB -1.019 40.914 42.059 -0.211 0.000 0.900 503 L HN 0.584 nan 8.230 nan 0.000 0.436 504 G N -1.835 106.868 108.800 -0.161 0.000 3.042 504 G HA2 -0.038 4.016 3.960 0.155 0.000 0.212 504 G HA3 -0.038 4.016 3.960 0.155 0.000 0.212 504 G C 0.634 175.555 174.900 0.035 0.000 1.166 504 G CA 0.054 45.117 45.100 -0.061 0.000 0.767 504 G HN 0.182 nan 8.290 nan 0.000 0.546 505 T N -0.279 114.247 114.554 -0.047 0.000 2.902 505 T HA 0.378 4.821 4.350 0.155 0.000 0.283 505 T C 1.734 176.178 174.700 -0.428 0.000 1.009 505 T CA 0.342 62.330 62.100 -0.188 0.000 1.051 505 T CB 1.407 70.207 68.868 -0.113 0.000 0.999 505 T HN 0.090 nan 8.240 nan 0.000 0.474 506 T N 1.227 115.400 114.554 -0.635 0.000 3.148 506 T HA 0.235 4.678 4.350 0.155 0.000 0.253 506 T C 1.444 175.944 174.700 -0.334 0.000 1.134 506 T CA 0.449 62.072 62.100 -0.796 0.000 1.051 506 T CB -0.189 68.272 68.868 -0.678 0.000 0.959 506 T HN 0.531 nan 8.240 nan 0.000 0.525 507 A N -0.114 122.580 122.820 -0.210 0.000 2.307 507 A HA 0.435 4.848 4.320 0.155 0.000 0.218 507 A C 0.975 178.520 177.584 -0.065 0.000 1.228 507 A CA -0.439 51.535 52.037 -0.106 0.000 0.857 507 A CB -0.741 18.219 19.000 -0.067 0.000 0.897 507 A HN 0.632 nan 8.150 nan 0.000 0.495 508 C N 1.302 120.561 119.300 -0.068 0.000 2.319 508 C HA 0.464 5.017 4.460 0.155 0.000 0.323 508 C C 1.924 176.892 174.990 -0.036 0.000 1.277 508 C CA -0.801 58.202 59.018 -0.025 0.000 1.517 508 C CB 0.446 28.173 27.740 -0.022 0.000 2.206 508 C HN 0.696 nan 8.230 nan 0.000 0.486 509 R N 2.668 123.078 120.500 -0.150 0.000 2.341 509 R HA -0.087 4.346 4.340 0.155 0.000 0.213 509 R C 0.152 176.198 176.300 -0.423 0.000 1.082 509 R CA 1.720 57.648 56.100 -0.287 0.000 1.017 509 R CB -0.401 29.643 30.300 -0.426 0.000 0.860 509 R HN 0.715 nan 8.270 nan 0.000 0.473 510 F N 0.281 120.175 119.950 -0.094 0.000 2.727 510 F HA 0.196 4.816 4.527 0.155 0.000 0.302 510 F C 0.648 176.401 175.800 -0.077 0.000 1.097 510 F CA -1.096 56.815 58.000 -0.149 0.000 1.330 510 F CB -0.166 38.681 39.000 -0.257 0.000 1.084 510 F HN -0.114 nan 8.300 nan 0.000 0.578 511 F N 2.451 122.377 119.950 -0.039 0.000 2.612 511 F HA 0.093 4.713 4.527 0.155 0.000 0.389 511 F C 0.134 175.929 175.800 -0.007 0.000 1.055 511 F CA 0.260 58.232 58.000 -0.046 0.000 1.232 511 F CB 0.072 39.033 39.000 -0.065 0.000 1.044 511 F HN -0.023 nan 8.300 nan 0.000 0.560 512 D N 7.524 127.434 120.400 -0.816 0.000 2.947 512 D HA 0.218 4.951 4.640 0.155 0.000 0.224 512 D C -2.365 173.450 176.300 -0.807 0.000 1.230 512 D CA -1.504 52.059 54.000 -0.730 0.000 0.871 512 D CB 2.785 43.434 40.800 -0.251 0.000 1.671 512 D HN 0.178 nan 8.370 nan 0.000 0.507 513 P HA -0.054 nan 4.420 nan 0.000 0.217 513 P C 1.033 178.214 177.300 -0.198 0.000 1.150 513 P CA 1.075 63.956 63.100 -0.364 0.000 0.832 513 P CB 0.288 31.886 31.700 -0.171 0.000 0.787 514 R N -1.382 119.033 120.500 -0.142 0.000 2.237 514 R HA -0.048 4.385 4.340 0.155 0.000 0.219 514 R C 1.764 178.093 176.300 0.049 0.000 1.080 514 R CA 0.624 56.704 56.100 -0.032 0.000 0.995 514 R CB -0.975 29.311 30.300 -0.024 0.000 0.875 514 R HN 0.186 nan 8.270 nan 0.000 0.462 515 L N 0.978 122.193 121.223 -0.014 0.000 1.976 515 L HA -0.119 4.315 4.340 0.155 0.000 0.209 515 L C 2.509 179.364 176.870 -0.025 0.000 1.071 515 L CA 2.079 56.939 54.840 0.033 0.000 0.746 515 L CB -1.146 40.887 42.059 -0.043 0.000 0.890 515 L HN 0.165 nan 8.230 nan 0.000 0.432 516 A N -2.039 120.727 122.820 -0.090 0.000 1.898 516 A HA -0.141 4.272 4.320 0.155 0.000 0.216 516 A C 2.474 180.017 177.584 -0.067 0.000 1.181 516 A CA 1.794 53.771 52.037 -0.100 0.000 0.620 516 A CB -0.700 18.196 19.000 -0.173 0.000 0.819 516 A HN 0.430 nan 8.150 nan 0.000 0.442 517 S N 0.369 116.009 115.700 -0.099 0.000 2.383 517 S HA -0.098 4.465 4.470 0.155 0.000 0.227 517 S C 2.163 176.626 174.600 -0.227 0.000 1.026 517 S CA 1.373 59.467 58.200 -0.176 0.000 0.981 517 S CB -0.252 62.848 63.200 -0.167 0.000 0.818 517 S HN 0.649 nan 8.310 nan 0.000 0.472 518 S N 1.220 116.896 115.700 -0.040 0.000 2.442 518 S HA 0.060 4.623 4.470 0.155 0.000 0.236 518 S C 1.604 176.115 174.600 -0.148 0.000 1.007 518 S CA 0.752 59.005 58.200 0.088 0.000 0.965 518 S CB -0.223 63.115 63.200 0.231 0.000 0.773 518 S HN 0.418 nan 8.310 nan 0.000 0.504 519 I N 0.392 120.838 120.570 -0.207 0.000 2.368 519 I HA -0.094 4.169 4.170 0.155 0.000 0.238 519 I C 2.660 178.471 176.117 -0.511 0.000 1.076 519 I CA 0.895 62.000 61.300 -0.326 0.000 1.397 519 I CB -0.728 37.107 38.000 -0.275 0.000 1.141 519 I HN 0.175 nan 8.210 nan 0.000 0.430 520 T N 1.149 115.449 114.554 -0.422 0.000 2.653 520 T HA -0.236 4.208 4.350 0.155 0.000 0.268 520 T C 1.871 176.294 174.700 -0.462 0.000 1.035 520 T CA 1.669 63.546 62.100 -0.372 0.000 1.154 520 T CB -0.162 68.643 68.868 -0.106 0.000 0.862 520 T HN 0.177 nan 8.240 nan 0.000 0.441 521 M N -0.086 119.095 119.600 -0.699 0.000 2.374 521 M HA -0.018 4.555 4.480 0.155 0.000 0.264 521 M C 2.346 178.113 176.300 -0.887 0.000 1.067 521 M CA 1.202 55.851 55.300 -1.085 0.000 1.103 521 M CB -0.295 31.394 32.600 -1.519 0.000 1.402 521 M HN 0.093 nan 8.290 nan 0.000 0.444 522 R N -0.064 120.080 120.500 -0.593 0.000 2.254 522 R HA 0.047 4.481 4.340 0.155 0.000 0.195 522 R C 2.186 178.395 176.300 -0.152 0.000 0.957 522 R CA 0.632 56.536 56.100 -0.326 0.000 1.024 522 R CB -0.123 29.950 30.300 -0.378 0.000 0.952 522 R HN 0.369 nan 8.270 nan 0.000 0.484 523 G N -0.178 108.569 108.800 -0.087 0.000 2.440 523 G HA2 -0.293 3.760 3.960 0.155 0.000 0.218 523 G HA3 -0.293 3.760 3.960 0.155 0.000 0.218 523 G C 0.786 175.786 174.900 0.168 0.000 1.154 523 G CA 1.028 46.186 45.100 0.097 0.000 0.767 523 G HN 0.353 nan 8.290 nan 0.000 0.552 524 H N -0.302 118.748 119.070 -0.033 0.000 2.352 524 H HA -0.056 4.593 4.556 0.155 0.000 0.299 524 H C 2.477 177.812 175.328 0.012 0.000 1.097 524 H CA 1.563 57.654 56.048 0.071 0.000 1.311 524 H CB -0.460 29.288 29.762 -0.023 0.000 1.377 524 H HN 0.474 nan 8.280 nan 0.000 0.504 525 Q N -0.048 119.815 119.800 0.104 0.000 2.084 525 Q HA -0.116 4.317 4.340 0.155 0.000 0.202 525 Q C 1.968 178.087 176.000 0.198 0.000 0.978 525 Q CA 1.317 57.182 55.803 0.104 0.000 0.844 525 Q CB -0.022 28.785 28.738 0.116 0.000 0.898 525 Q HN 0.315 nan 8.270 nan 0.000 0.426 526 I N 0.160 120.815 120.570 0.142 0.000 2.179 526 I HA -0.288 3.975 4.170 0.155 0.000 0.242 526 I C 2.220 178.508 176.117 0.284 0.000 1.088 526 I CA 1.079 62.503 61.300 0.207 0.000 1.357 526 I CB -0.298 37.580 38.000 -0.204 0.000 1.051 526 I HN 0.303 nan 8.210 nan 0.000 0.409 527 M N -0.344 119.364 119.600 0.180 0.000 2.117 527 M HA -0.183 4.390 4.480 0.155 0.000 0.262 527 M C 2.405 178.871 176.300 0.276 0.000 1.065 527 M CA 1.567 56.999 55.300 0.219 0.000 1.114 527 M CB -1.012 31.696 32.600 0.182 0.000 1.361 527 M HN 0.097 nan 8.290 nan 0.000 0.408 528 R N -0.715 119.942 120.500 0.263 0.000 2.092 528 R HA -0.194 4.239 4.340 0.155 0.000 0.231 528 R C 2.224 178.584 176.300 0.100 0.000 1.119 528 R CA 1.608 57.787 56.100 0.130 0.000 0.970 528 R CB -0.099 30.057 30.300 -0.240 0.000 0.864 528 R HN 0.385 nan 8.270 nan 0.000 0.440 529 Q N -0.349 119.538 119.800 0.145 0.000 2.049 529 Q HA -0.085 4.348 4.340 0.155 0.000 0.198 529 Q C 1.654 177.645 176.000 -0.014 0.000 0.971 529 Q CA 2.402 58.245 55.803 0.067 0.000 0.833 529 Q CB -0.264 28.574 28.738 0.168 0.000 0.896 529 Q HN 0.229 nan 8.270 nan 0.000 0.434 530 T N 1.435 116.081 114.554 0.154 0.000 2.653 530 T HA -0.271 4.172 4.350 0.155 0.000 0.268 530 T C 1.505 176.232 174.700 0.044 0.000 1.035 530 T CA 2.150 64.335 62.100 0.142 0.000 1.154 530 T CB -0.399 68.669 68.868 0.332 0.000 0.862 530 T HN 0.633 nan 8.240 nan 0.000 0.441 531 K N 1.382 121.824 120.400 0.071 0.000 2.288 531 K HA 0.236 4.649 4.320 0.155 0.000 0.201 531 K C 2.365 178.961 176.600 -0.006 0.000 1.048 531 K CA 1.015 57.327 56.287 0.042 0.000 0.956 531 K CB -0.213 32.323 32.500 0.060 0.000 0.746 531 K HN 0.276 nan 8.250 nan 0.000 0.461 532 A N 1.476 124.272 122.820 -0.040 0.000 1.898 532 A HA -0.045 4.368 4.320 0.155 0.000 0.216 532 A C 2.029 179.529 177.584 -0.140 0.000 1.181 532 A CA 1.024 53.014 52.037 -0.079 0.000 0.620 532 A CB -0.487 18.455 19.000 -0.097 0.000 0.819 532 A HN 0.248 nan 8.150 nan 0.000 0.442 533 L N -0.128 120.958 121.223 -0.228 0.000 2.042 533 L HA -0.155 4.278 4.340 0.155 0.000 0.210 533 L C 2.401 179.194 176.870 -0.129 0.000 1.076 533 L CA 1.532 56.207 54.840 -0.275 0.000 0.749 533 L CB -0.564 41.240 42.059 -0.425 0.000 0.893 533 L HN 0.391 nan 8.230 nan 0.000 0.432 534 I N -1.008 119.517 120.570 -0.075 0.000 2.163 534 I HA -0.257 4.006 4.170 0.155 0.000 0.240 534 I C 2.383 178.470 176.117 -0.051 0.000 1.081 534 I CA 1.186 62.469 61.300 -0.028 0.000 1.353 534 I CB -0.302 37.715 38.000 0.028 0.000 1.054 534 I HN 0.320 nan 8.210 nan 0.000 0.407 535 E N 0.737 120.914 120.200 -0.040 0.000 2.265 535 E HA -0.189 4.255 4.350 0.155 0.000 0.196 535 E C 2.015 178.554 176.600 -0.101 0.000 0.996 535 E CA 1.081 57.453 56.400 -0.047 0.000 0.832 535 E CB -0.064 29.626 29.700 -0.017 0.000 0.756 535 E HN 0.485 nan 8.360 nan 0.000 0.491 536 A N 0.462 123.216 122.820 -0.110 0.000 2.238 536 A HA -0.070 4.343 4.320 0.155 0.000 0.208 536 A C 1.808 179.286 177.584 -0.177 0.000 1.177 536 A CA 0.498 52.462 52.037 -0.120 0.000 0.804 536 A CB 0.141 19.081 19.000 -0.101 0.000 0.823 536 A HN 0.011 nan 8.150 nan 0.000 0.482 537 Q N -1.328 118.330 119.800 -0.236 0.000 2.220 537 Q HA 0.346 4.779 4.340 0.155 0.000 0.205 537 Q C 1.037 176.681 176.000 -0.593 0.000 0.865 537 Q CA 0.764 56.351 55.803 -0.361 0.000 0.960 537 Q CB 0.117 28.645 28.738 -0.350 0.000 1.097 537 Q HN 0.807 nan 8.270 nan 0.000 0.493 538 G N -1.097 107.416 108.800 -0.478 0.000 2.213 538 G HA2 -0.285 3.768 3.960 0.155 0.000 0.236 538 G HA3 -0.285 3.768 3.960 0.155 0.000 0.236 538 G C -0.272 174.274 174.900 -0.590 0.000 0.991 538 G CA 0.195 44.962 45.100 -0.555 0.000 0.629 538 G HN 0.269 nan 8.290 nan 0.000 0.517 539 Y N 0.804 121.025 120.300 -0.132 0.000 2.496 539 Y HA 0.671 5.314 4.550 0.155 0.000 0.325 539 Y C 0.324 176.181 175.900 -0.071 0.000 1.271 539 Y CA -1.338 56.675 58.100 -0.145 0.000 1.368 539 Y CB 0.657 39.018 38.460 -0.166 0.000 1.415 539 Y HN 0.030 nan 8.280 nan 0.000 0.527 540 D N -0.337 120.169 120.400 0.176 0.000 2.375 540 D HA 0.491 5.224 4.640 0.155 0.000 0.247 540 D C -1.388 175.009 176.300 0.161 0.000 1.061 540 D CA -0.326 53.785 54.000 0.186 0.000 0.834 540 D CB 1.711 42.728 40.800 0.362 0.000 1.247 540 D HN 0.144 nan 8.370 nan 0.000 0.489 541 V N 4.063 124.041 119.914 0.107 0.000 2.318 541 V HA 0.188 4.401 4.120 0.155 0.000 0.271 541 V C 1.342 177.471 176.094 0.057 0.000 1.030 541 V CA -0.489 61.855 62.300 0.073 0.000 0.844 541 V CB 0.514 32.369 31.823 0.053 0.000 1.015 541 V HN 0.591 nan 8.190 nan 0.000 0.460 542 I N 1.269 121.866 120.570 0.043 0.000 3.728 542 I HA 0.393 4.656 4.170 0.155 0.000 0.307 542 I C 0.235 176.419 176.117 0.111 0.000 1.276 542 I CA 0.419 61.743 61.300 0.041 0.000 1.285 542 I CB 0.087 38.030 38.000 -0.094 0.000 1.038 542 I HN 0.510 nan 8.210 nan 0.000 0.445 543 Y N 0.891 121.108 120.300 -0.138 0.000 2.521 543 Y HA 0.690 5.333 4.550 0.155 0.000 0.332 543 Y C -0.817 174.870 175.900 -0.354 0.000 1.121 543 Y CA -1.066 56.851 58.100 -0.304 0.000 1.037 543 Y CB 1.739 39.855 38.460 -0.574 0.000 1.330 543 Y HN -0.004 nan 8.280 nan 0.000 0.452 544 G N 3.611 111.730 108.800 -1.134 0.000 2.662 544 G HA2 0.485 4.538 3.960 0.155 0.000 0.302 544 G HA3 0.485 4.538 3.960 0.155 0.000 0.302 544 G C -1.997 172.246 174.900 -1.095 0.000 1.389 544 G CA -0.524 44.079 45.100 -0.828 0.000 0.998 544 G HN 0.626 nan 8.290 nan 0.000 0.502 545 D N -0.036 119.957 120.400 -0.678 0.000 2.668 545 D HA 0.492 5.225 4.640 0.155 0.000 0.249 545 D C 1.744 177.883 176.300 -0.269 0.000 1.150 545 D CA -0.240 53.493 54.000 -0.444 0.000 1.090 545 D CB 1.260 41.948 40.800 -0.187 0.000 1.244 545 D HN 0.156 nan 8.370 nan 0.000 0.636 546 T N -0.766 113.685 114.554 -0.172 0.000 2.867 546 T HA -0.024 4.419 4.350 0.155 0.000 0.268 546 T C 0.198 174.838 174.700 -0.101 0.000 1.057 546 T CA 1.610 63.626 62.100 -0.141 0.000 1.136 546 T CB -0.160 68.625 68.868 -0.137 0.000 0.874 546 T HN 0.536 nan 8.240 nan 0.000 0.466 547 D N 0.042 120.410 120.400 -0.053 0.000 2.615 547 D HA 0.116 4.849 4.640 0.155 0.000 0.274 547 D C -0.008 176.384 176.300 0.155 0.000 1.512 547 D CA -0.340 53.689 54.000 0.049 0.000 0.803 547 D CB -0.258 40.541 40.800 -0.000 0.000 1.182 547 D HN 0.375 nan 8.370 nan 0.000 0.473 548 S N -1.116 114.640 115.700 0.095 0.000 2.632 548 S HA 0.867 5.430 4.470 0.155 0.000 0.289 548 S C -0.425 174.242 174.600 0.112 0.000 1.115 548 S CA -0.424 57.874 58.200 0.164 0.000 0.889 548 S CB 2.498 65.848 63.200 0.251 0.000 1.116 548 S HN -0.014 nan 8.310 nan 0.000 0.486 549 T N 1.178 115.883 114.554 0.251 0.000 2.864 549 T HA 0.627 5.070 4.350 0.155 0.000 0.299 549 T C -1.513 173.605 174.700 0.697 0.000 1.166 549 T CA -0.574 61.661 62.100 0.226 0.000 1.007 549 T CB 0.933 69.893 68.868 0.152 0.000 1.219 549 T HN 0.628 nan 8.240 nan 0.000 0.506 550 F N 0.970 120.901 119.950 -0.031 0.000 2.547 550 F HA 0.629 5.249 4.527 0.155 0.000 0.316 550 F C -0.588 175.122 175.800 -0.150 0.000 1.121 550 F CA -1.190 56.711 58.000 -0.164 0.000 0.911 550 F CB 2.088 40.935 39.000 -0.254 0.000 1.179 550 F HN 0.160 nan 8.300 nan 0.000 0.443 551 V N 2.113 122.014 119.914 -0.021 0.000 2.540 551 V HA 0.219 4.433 4.120 0.155 0.000 0.302 551 V C -0.806 175.255 176.094 -0.055 0.000 1.035 551 V CA -0.925 61.353 62.300 -0.036 0.000 0.873 551 V CB 2.284 34.045 31.823 -0.102 0.000 0.992 551 V HN 0.868 nan 8.190 nan 0.000 0.428 552 W N 5.239 126.393 121.300 -0.243 0.000 2.332 552 W HA 0.387 5.140 4.660 0.155 0.000 0.306 552 W C -0.353 176.056 176.519 -0.184 0.000 1.149 552 W CA -0.929 56.256 57.345 -0.267 0.000 1.271 552 W CB 1.388 30.676 29.460 -0.287 0.000 1.243 552 W HN 0.500 nan 8.180 nan 0.000 0.459 553 L N 6.781 127.758 121.223 -0.411 0.000 2.599 553 L HA 0.011 4.444 4.340 0.155 0.000 0.230 553 L C 1.507 177.938 176.870 -0.731 0.000 1.141 553 L CA 0.845 55.269 54.840 -0.693 0.000 0.877 553 L CB -0.844 40.617 42.059 -0.996 0.000 1.009 553 L HN 0.559 nan 8.230 nan 0.000 0.447 554 K N -0.993 118.391 120.400 -1.694 0.000 3.391 554 K HA -0.143 4.270 4.320 0.155 0.000 0.307 554 K C 0.571 176.681 176.600 -0.817 0.000 1.304 554 K CA 0.641 55.932 56.287 -1.661 0.000 0.904 554 K CB -1.929 30.154 32.500 -0.695 0.000 1.293 554 K HN 0.504 nan 8.250 nan 0.000 0.470 555 G N -0.775 107.695 108.800 -0.551 0.000 2.338 555 G HA2 0.532 4.586 3.960 0.155 0.000 0.295 555 G HA3 0.532 4.586 3.960 0.155 0.000 0.295 555 G C -1.472 173.528 174.900 0.166 0.000 1.461 555 G CA -0.358 44.715 45.100 -0.046 0.000 0.817 555 G HN 0.368 nan 8.290 nan 0.000 0.556 556 A N 0.573 123.489 122.820 0.160 0.000 2.477 556 A HA 0.628 5.041 4.320 0.155 0.000 0.246 556 A C -0.042 177.622 177.584 0.134 0.000 1.078 556 A CA 0.159 52.307 52.037 0.185 0.000 0.770 556 A CB 0.064 19.139 19.000 0.125 0.000 1.011 556 A HN 0.731 nan 8.150 nan 0.000 0.494 557 H N 1.041 120.144 119.070 0.055 0.000 2.717 557 H HA 0.335 4.984 4.556 0.155 0.000 0.366 557 H C 0.391 175.773 175.328 0.090 0.000 1.132 557 H CA 0.017 56.076 56.048 0.020 0.000 1.180 557 H CB 2.145 31.862 29.762 -0.074 0.000 1.678 557 H HN 0.940 nan 8.280 nan 0.000 0.537 558 S N 1.895 117.661 115.700 0.110 0.000 2.580 558 S HA -0.035 4.528 4.470 0.155 0.000 0.261 558 S C 1.154 175.849 174.600 0.158 0.000 1.366 558 S CA -0.344 57.909 58.200 0.089 0.000 0.996 558 S CB 1.055 64.276 63.200 0.034 0.000 0.902 558 S HN 0.669 nan 8.310 nan 0.000 0.566 559 E N 0.798 121.054 120.200 0.094 0.000 2.112 559 E HA -0.078 4.365 4.350 0.155 0.000 0.190 559 E C 1.999 178.659 176.600 0.100 0.000 0.979 559 E CA 0.829 57.288 56.400 0.098 0.000 0.814 559 E CB -0.204 29.480 29.700 -0.026 0.000 0.762 559 E HN 0.701 nan 8.360 nan 0.000 0.460 560 E N 0.804 121.035 120.200 0.052 0.000 2.106 560 E HA -0.179 4.264 4.350 0.155 0.000 0.192 560 E C 1.967 178.584 176.600 0.029 0.000 0.984 560 E CA 0.782 57.201 56.400 0.032 0.000 0.806 560 E CB -0.083 29.625 29.700 0.013 0.000 0.750 560 E HN 0.218 nan 8.360 nan 0.000 0.458 561 E N 0.965 121.193 120.200 0.045 0.000 2.106 561 E HA -0.061 4.382 4.350 0.155 0.000 0.192 561 E C 1.913 178.523 176.600 0.016 0.000 0.984 561 E CA 1.126 57.553 56.400 0.044 0.000 0.806 561 E CB -0.167 29.584 29.700 0.085 0.000 0.750 561 E HN 0.211 nan 8.360 nan 0.000 0.458 562 A N 0.720 123.561 122.820 0.035 0.000 1.908 562 A HA -0.123 4.290 4.320 0.155 0.000 0.218 562 A C 2.394 179.863 177.584 -0.192 0.000 1.181 562 A CA 2.010 53.960 52.037 -0.144 0.000 0.627 562 A CB -0.960 18.016 19.000 -0.040 0.000 0.818 562 A HN 0.370 nan 8.150 nan 0.000 0.445 563 A N 0.092 122.879 122.820 -0.055 0.000 1.873 563 A HA -0.149 4.264 4.320 0.155 0.000 0.215 563 A C 2.088 179.506 177.584 -0.277 0.000 1.186 563 A CA 1.785 53.749 52.037 -0.122 0.000 0.616 563 A CB -0.465 18.568 19.000 0.055 0.000 0.823 563 A HN 0.572 nan 8.150 nan 0.000 0.442 564 K N -0.188 120.118 120.400 -0.156 0.000 2.032 564 K HA -0.104 4.309 4.320 0.155 0.000 0.209 564 K C 1.811 178.280 176.600 -0.217 0.000 1.048 564 K CA 1.673 57.872 56.287 -0.148 0.000 0.927 564 K CB -0.502 31.951 32.500 -0.079 0.000 0.712 564 K HN 0.502 nan 8.250 nan 0.000 0.441 565 I N 1.242 121.671 120.570 -0.235 0.000 2.118 565 I HA -0.261 4.002 4.170 0.155 0.000 0.241 565 I C 2.626 178.505 176.117 -0.397 0.000 1.070 565 I CA 1.622 62.757 61.300 -0.275 0.000 1.327 565 I CB -0.910 36.868 38.000 -0.370 0.000 1.034 565 I HN 0.362 nan 8.210 nan 0.000 0.405 566 G N 0.624 109.053 108.800 -0.618 0.000 2.476 566 G HA2 -0.261 3.792 3.960 0.155 0.000 0.218 566 G HA3 -0.261 3.792 3.960 0.155 0.000 0.218 566 G C 1.804 176.256 174.900 -0.746 0.000 1.164 566 G CA 0.681 45.229 45.100 -0.919 0.000 0.768 566 G HN 0.326 nan 8.290 nan 0.000 0.560 567 R N 0.370 120.493 120.500 -0.628 0.000 2.115 567 R HA 0.122 4.555 4.340 0.155 0.000 0.226 567 R C 2.996 179.209 176.300 -0.146 0.000 1.100 567 R CA 0.885 56.812 56.100 -0.289 0.000 0.980 567 R CB -0.281 29.915 30.300 -0.173 0.000 0.875 567 R HN 0.371 nan 8.270 nan 0.000 0.445 568 A N 1.254 123.984 122.820 -0.150 0.000 1.898 568 A HA -0.134 4.279 4.320 0.155 0.000 0.216 568 A C 2.006 179.576 177.584 -0.024 0.000 1.181 568 A CA 0.957 52.956 52.037 -0.064 0.000 0.620 568 A CB -0.358 18.599 19.000 -0.071 0.000 0.819 568 A HN 0.078 nan 8.150 nan 0.000 0.442 569 L N -0.002 121.173 121.223 -0.079 0.000 1.990 569 L HA -0.205 4.228 4.340 0.155 0.000 0.213 569 L C 2.869 179.760 176.870 0.035 0.000 1.072 569 L CA 2.277 57.101 54.840 -0.027 0.000 0.755 569 L CB -1.009 41.000 42.059 -0.084 0.000 0.889 569 L HN 0.432 nan 8.230 nan 0.000 0.432 570 V N -0.298 119.611 119.914 -0.008 0.000 2.332 570 V HA -0.274 3.940 4.120 0.155 0.000 0.248 570 V C 2.137 178.272 176.094 0.069 0.000 1.055 570 V CA 1.968 64.284 62.300 0.026 0.000 1.038 570 V CB -0.732 31.101 31.823 0.017 0.000 0.651 570 V HN 0.729 nan 8.190 nan 0.000 0.450 571 Q N -0.735 119.106 119.800 0.069 0.000 2.392 571 Q HA 0.051 4.484 4.340 0.155 0.000 0.203 571 Q C 1.911 177.972 176.000 0.102 0.000 0.917 571 Q CA 1.380 57.236 55.803 0.089 0.000 0.939 571 Q CB -1.371 27.410 28.738 0.071 0.000 1.063 571 Q HN 0.871 nan 8.270 nan 0.000 0.516 572 H N 0.919 119.999 119.070 0.017 0.000 2.267 572 H HA -0.080 4.569 4.556 0.155 0.000 0.297 572 H C 1.410 176.753 175.328 0.025 0.000 1.080 572 H CA 2.083 58.137 56.048 0.010 0.000 1.278 572 H CB 0.271 30.018 29.762 -0.025 0.000 1.365 572 H HN 0.179 nan 8.280 nan 0.000 0.489 573 V N 2.023 121.987 119.914 0.083 0.000 2.287 573 V HA -0.296 3.918 4.120 0.155 0.000 0.248 573 V C 2.274 178.436 176.094 0.113 0.000 1.053 573 V CA 2.127 64.430 62.300 0.006 0.000 1.027 573 V CB -0.597 31.287 31.823 0.101 0.000 0.646 573 V HN 0.503 nan 8.190 nan 0.000 0.447 574 N N 0.446 119.278 118.700 0.219 0.000 2.223 574 N HA -0.099 4.734 4.740 0.155 0.000 0.185 574 N C 1.791 177.461 175.510 0.267 0.000 1.016 574 N CA 1.549 54.801 53.050 0.336 0.000 0.863 574 N CB -0.557 38.061 38.487 0.218 0.000 0.983 574 N HN 0.514 nan 8.380 nan 0.000 0.429 575 A N -0.308 122.597 122.820 0.141 0.000 1.898 575 A HA -0.128 4.285 4.320 0.155 0.000 0.216 575 A C 2.178 179.820 177.584 0.097 0.000 1.181 575 A CA 1.024 53.114 52.037 0.090 0.000 0.620 575 A CB -1.083 17.934 19.000 0.029 0.000 0.819 575 A HN 0.486 nan 8.150 nan 0.000 0.442 576 W N -0.572 120.621 121.300 -0.180 0.000 2.355 576 W HA -0.204 4.549 4.660 0.155 0.000 0.309 576 W C 2.009 178.438 176.519 -0.151 0.000 1.206 576 W CA 1.950 59.135 57.345 -0.265 0.000 1.284 576 W CB -0.460 28.709 29.460 -0.485 0.000 1.145 576 W HN 0.466 nan 8.180 nan 0.000 0.502 577 W N 0.113 121.633 121.300 0.367 0.000 2.315 577 W HA -0.271 4.482 4.660 0.156 0.000 0.323 577 W C 2.688 179.202 176.519 -0.008 0.000 1.233 577 W CA 1.965 59.441 57.345 0.218 0.000 1.267 577 W CB -1.190 28.419 29.460 0.248 0.000 1.160 577 W HN -0.045 nan 8.180 nan 0.000 0.474 578 A N 0.137 123.109 122.820 0.253 0.000 1.883 578 A HA -0.310 4.104 4.320 0.155 0.000 0.217 578 A C 1.940 179.513 177.584 -0.017 0.000 1.186 578 A CA 2.116 54.204 52.037 0.085 0.000 0.624 578 A CB -1.084 17.955 19.000 0.066 0.000 0.822 578 A HN 0.458 nan 8.150 nan 0.000 0.444 579 E N -1.052 119.104 120.200 -0.072 0.000 2.072 579 E HA -0.175 4.268 4.350 0.155 0.000 0.191 579 E C 1.973 178.428 176.600 -0.242 0.000 0.985 579 E CA 1.673 57.981 56.400 -0.153 0.000 0.801 579 E CB -0.286 29.300 29.700 -0.190 0.000 0.750 579 E HN 0.473 nan 8.360 nan 0.000 0.452 580 T N 0.851 115.160 114.554 -0.408 0.000 2.867 580 T HA -0.076 4.367 4.350 0.155 0.000 0.268 580 T C 1.332 175.891 174.700 -0.235 0.000 1.057 580 T CA 1.246 63.035 62.100 -0.518 0.000 1.136 580 T CB 0.006 68.175 68.868 -1.166 0.000 0.874 580 T HN 0.171 nan 8.240 nan 0.000 0.466 581 L N 0.865 122.029 121.223 -0.098 0.000 2.700 581 L HA 0.450 4.883 4.340 0.155 0.000 0.234 581 L C 1.817 178.651 176.870 -0.060 0.000 1.156 581 L CA 0.131 54.948 54.840 -0.038 0.000 0.946 581 L CB -0.723 41.343 42.059 0.012 0.000 1.216 581 L HN 0.127 nan 8.230 nan 0.000 0.493 582 Q N 0.660 120.416 119.800 -0.074 0.000 2.245 582 Q HA -0.123 4.310 4.340 0.155 0.000 0.201 582 Q C 1.776 177.741 176.000 -0.058 0.000 0.955 582 Q CA 0.934 56.700 55.803 -0.062 0.000 0.870 582 Q CB 0.218 28.919 28.738 -0.061 0.000 0.945 582 Q HN 0.354 nan 8.270 nan 0.000 0.461 583 K N 0.741 121.098 120.400 -0.072 0.000 2.032 583 K HA -0.105 4.308 4.320 0.155 0.000 0.209 583 K C 0.610 177.190 176.600 -0.035 0.000 1.048 583 K CA 1.350 57.601 56.287 -0.060 0.000 0.927 583 K CB 0.072 32.523 32.500 -0.081 0.000 0.712 583 K HN 0.388 nan 8.250 nan 0.000 0.441 584 Q N -0.043 119.741 119.800 -0.025 0.000 2.318 584 Q HA 0.206 4.639 4.340 0.155 0.000 0.222 584 Q C -0.379 175.614 176.000 -0.012 0.000 1.003 584 Q CA -0.268 55.535 55.803 -0.001 0.000 0.936 584 Q CB 0.640 29.391 28.738 0.022 0.000 1.204 584 Q HN 0.007 nan 8.270 nan 0.000 0.524 585 R N 0.933 121.433 120.500 0.000 0.000 4.518 585 R HA 0.270 4.703 4.340 0.155 0.000 0.243 585 R C -0.713 175.573 176.300 -0.025 0.000 1.720 585 R CA -0.045 56.048 56.100 -0.011 0.000 1.526 585 R CB -0.302 29.998 30.300 -0.000 0.000 1.425 585 R HN 0.280 nan 8.270 nan 0.000 0.787 586 L N 0.135 121.324 121.223 -0.057 0.000 2.329 586 L HA 0.432 4.865 4.340 0.155 0.000 0.279 586 L C 0.028 176.820 176.870 -0.131 0.000 1.014 586 L CA -0.721 54.047 54.840 -0.119 0.000 0.814 586 L CB 2.371 44.311 42.059 -0.198 0.000 1.257 586 L HN 0.105 nan 8.230 nan 0.000 0.424 587 T N 1.138 115.603 114.554 -0.149 0.000 2.770 587 T HA 0.157 4.600 4.350 0.155 0.000 0.297 587 T C 0.096 174.686 174.700 -0.182 0.000 0.997 587 T CA -0.233 61.789 62.100 -0.128 0.000 0.949 587 T CB 1.178 69.986 68.868 -0.100 0.000 0.941 587 T HN 0.571 nan 8.240 nan 0.000 0.457 588 S N 2.367 117.979 115.700 -0.147 0.000 2.549 588 S HA 0.442 5.005 4.470 0.155 0.000 0.279 588 S C 0.967 175.477 174.600 -0.149 0.000 1.321 588 S CA -0.419 57.684 58.200 -0.161 0.000 1.054 588 S CB 0.391 63.574 63.200 -0.028 0.000 0.899 588 S HN 0.806 nan 8.310 nan 0.000 0.497 589 A N 4.960 127.657 122.820 -0.206 0.000 2.508 589 A HA 0.389 4.802 4.320 0.155 0.000 0.257 589 A C -0.152 177.355 177.584 -0.129 0.000 1.226 589 A CA -0.360 51.530 52.037 -0.246 0.000 0.947 589 A CB 0.014 18.767 19.000 -0.411 0.000 1.079 589 A HN 0.627 nan 8.150 nan 0.000 0.531 590 L N 1.302 122.489 121.223 -0.059 0.000 2.477 590 L HA 0.288 4.721 4.340 0.155 0.000 0.272 590 L C 0.485 177.487 176.870 0.220 0.000 1.157 590 L CA 0.595 55.477 54.840 0.070 0.000 0.889 590 L CB -0.073 41.894 42.059 -0.153 0.000 1.158 590 L HN 0.498 nan 8.230 nan 0.000 0.473 591 E N 3.729 124.117 120.200 0.314 0.000 2.402 591 E HA 0.312 4.755 4.350 0.155 0.000 0.244 591 E C -1.182 175.446 176.600 0.047 0.000 0.945 591 E CA -0.753 55.774 56.400 0.211 0.000 0.774 591 E CB 1.075 30.923 29.700 0.247 0.000 1.296 591 E HN 0.451 nan 8.360 nan 0.000 0.414 592 L N 3.240 124.363 121.223 -0.165 0.000 2.417 592 L HA 0.346 4.779 4.340 0.155 0.000 0.268 592 L C -0.476 176.314 176.870 -0.134 0.000 1.158 592 L CA 0.579 55.149 54.840 -0.450 0.000 0.819 592 L CB 0.889 42.699 42.059 -0.416 0.000 1.112 592 L HN 0.569 nan 8.230 nan 0.000 0.458 593 E N 2.203 122.336 120.200 -0.112 0.000 2.312 593 E HA 0.224 4.667 4.350 0.155 0.000 0.267 593 E C -1.905 174.720 176.600 0.042 0.000 0.894 593 E CA -0.806 55.590 56.400 -0.008 0.000 0.773 593 E CB 2.219 31.912 29.700 -0.012 0.000 1.241 593 E HN 0.487 nan 8.360 nan 0.000 0.432 594 Y N 2.540 122.795 120.300 -0.074 0.000 2.331 594 Y HA 0.208 4.852 4.550 0.156 0.000 0.338 594 Y C 0.359 176.201 175.900 -0.096 0.000 0.976 594 Y CA -0.264 57.782 58.100 -0.091 0.000 1.137 594 Y CB 0.736 39.144 38.460 -0.088 0.000 1.172 594 Y HN 0.547 nan 8.280 nan 0.000 0.478 595 E N 2.795 122.625 120.200 -0.617 0.000 2.192 595 E HA 0.186 4.629 4.350 0.155 0.000 0.196 595 E C -0.314 175.820 176.600 -0.777 0.000 0.922 595 E CA 0.413 56.453 56.400 -0.601 0.000 0.924 595 E CB 0.358 29.876 29.700 -0.304 0.000 0.911 595 E HN 0.544 nan 8.360 nan 0.000 0.478 596 T N 0.369 114.502 114.554 -0.703 0.000 2.896 596 T HA 0.404 4.847 4.350 0.155 0.000 0.297 596 T C -1.298 173.108 174.700 -0.489 0.000 1.108 596 T CA -0.732 60.977 62.100 -0.651 0.000 1.004 596 T CB 2.263 70.694 68.868 -0.729 0.000 1.159 596 T HN 0.154 nan 8.240 nan 0.000 0.499 597 H N 0.847 119.557 119.070 -0.601 0.000 2.689 597 H HA 0.594 5.243 4.556 0.155 0.000 0.346 597 H C -2.111 172.907 175.328 -0.517 0.000 1.037 597 H CA -1.762 54.055 56.048 -0.385 0.000 1.234 597 H CB 0.336 30.012 29.762 -0.143 0.000 1.572 597 H HN 0.473 nan 8.280 nan 0.000 0.524 598 F N 4.161 124.270 119.950 0.264 0.000 2.427 598 F HA 0.230 4.850 4.527 0.155 0.000 0.346 598 F C 1.529 177.381 175.800 0.088 0.000 1.120 598 F CA -0.644 57.360 58.000 0.006 0.000 1.033 598 F CB 1.163 40.184 39.000 0.034 0.000 1.126 598 F HN 0.652 nan 8.300 nan 0.000 0.462 599 C N 0.813 120.126 119.300 0.022 0.000 2.429 599 C HA -0.015 4.538 4.460 0.155 0.000 0.277 599 C C 0.952 176.040 174.990 0.164 0.000 1.262 599 C CA 0.180 59.255 59.018 0.095 0.000 1.733 599 C CB -1.024 26.694 27.740 -0.036 0.000 2.010 599 C HN 0.631 nan 8.230 nan 0.000 0.483 600 R N -0.545 119.962 120.500 0.013 0.000 2.532 600 R HA 0.600 5.033 4.340 0.155 0.000 0.297 600 R C -1.491 174.681 176.300 -0.213 0.000 0.984 600 R CA -0.217 55.843 56.100 -0.067 0.000 0.884 600 R CB 1.824 32.026 30.300 -0.164 0.000 1.182 600 R HN 0.319 nan 8.270 nan 0.000 0.442 601 F N 3.468 123.320 119.950 -0.164 0.000 2.551 601 F HA 0.590 5.210 4.527 0.155 0.000 0.316 601 F C -1.637 174.116 175.800 -0.078 0.000 1.089 601 F CA -1.190 56.665 58.000 -0.242 0.000 0.915 601 F CB 1.626 40.522 39.000 -0.174 0.000 1.186 601 F HN 0.407 nan 8.300 nan 0.000 0.456 602 L N 7.392 128.160 121.223 -0.758 0.000 2.406 602 L HA 0.662 5.096 4.340 0.155 0.000 0.272 602 L C -1.763 174.703 176.870 -0.673 0.000 0.980 602 L CA -0.448 54.077 54.840 -0.525 0.000 0.831 602 L CB 1.699 43.561 42.059 -0.329 0.000 1.253 602 L HN 0.826 nan 8.230 nan 0.000 0.406 603 M N 8.346 127.710 119.600 -0.394 0.000 2.243 603 M HA 0.721 5.294 4.480 0.155 0.000 0.324 603 M C -2.748 173.403 176.300 -0.249 0.000 1.031 603 M CA -1.476 53.706 55.300 -0.196 0.000 0.949 603 M CB 2.304 34.971 32.600 0.111 0.000 1.615 603 M HN 0.433 nan 8.290 nan 0.000 0.430 604 P HA 0.346 nan 4.420 nan 0.000 0.287 604 P C -0.899 176.452 177.300 0.086 0.000 1.292 604 P CA -0.424 62.651 63.100 -0.042 0.000 0.879 604 P CB 1.494 33.190 31.700 -0.008 0.000 1.214 616 R N -0.358 120.106 120.500 -0.060 0.000 2.673 616 R HA 0.912 5.345 4.340 0.155 0.000 0.281 616 R C -0.630 175.637 176.300 -0.055 0.000 0.991 616 R CA -0.806 55.224 56.100 -0.117 0.000 0.896 616 R CB 1.488 31.727 30.300 -0.102 0.000 1.201 616 R HN 0.529 nan 8.270 nan 0.000 0.457 617 Y N -1.433 118.782 120.300 -0.140 0.000 2.871 617 Y HA 0.848 5.491 4.550 0.155 0.000 0.331 617 Y C -1.993 173.711 175.900 -0.328 0.000 1.378 617 Y CA -1.199 56.713 58.100 -0.313 0.000 1.079 617 Y CB 0.805 39.051 38.460 -0.356 0.000 1.441 617 Y HN 0.956 nan 8.280 nan 0.000 0.446 618 A N 0.184 122.835 122.820 -0.282 0.000 2.547 618 A HA 0.884 5.297 4.320 0.155 0.000 0.297 618 A C -0.781 176.491 177.584 -0.521 0.000 1.056 618 A CA -0.197 51.685 52.037 -0.257 0.000 0.688 618 A CB 1.301 20.355 19.000 0.089 0.000 1.282 618 A HN 1.891 nan 8.150 nan 0.000 0.400 619 G N -0.566 107.868 108.800 -0.610 0.000 2.695 619 G HA2 0.660 4.713 3.960 0.155 0.000 0.290 619 G HA3 0.660 4.713 3.960 0.155 0.000 0.290 619 G C -2.130 172.450 174.900 -0.534 0.000 1.410 619 G CA -0.593 44.007 45.100 -0.833 0.000 0.844 619 G HN 1.282 nan 8.290 nan 0.000 0.478 620 L N 0.841 121.810 121.223 -0.423 0.000 2.343 620 L HA 0.642 5.076 4.340 0.155 0.000 0.278 620 L C -0.579 176.280 176.870 -0.018 0.000 0.996 620 L CA -0.705 53.961 54.840 -0.290 0.000 0.831 620 L CB 1.089 42.836 42.059 -0.519 0.000 1.232 620 L HN 0.411 nan 8.230 nan 0.000 0.413 621 I N 4.086 124.645 120.570 -0.017 0.000 2.331 621 I HA 0.331 4.594 4.170 0.155 0.000 0.292 621 I C -0.242 175.788 176.117 -0.145 0.000 0.998 621 I CA -0.603 60.610 61.300 -0.145 0.000 1.267 621 I CB 1.589 39.485 38.000 -0.175 0.000 1.386 621 I HN 0.616 nan 8.210 nan 0.000 0.476 622 Q N 7.252 126.938 119.800 -0.191 0.000 2.398 622 Q HA 0.253 4.686 4.340 0.155 0.000 0.251 622 Q C -1.119 174.800 176.000 -0.135 0.000 0.999 622 Q CA -0.395 55.323 55.803 -0.142 0.000 0.874 622 Q CB 0.855 29.505 28.738 -0.146 0.000 1.215 622 Q HN 0.553 nan 8.270 nan 0.000 0.470 623 E N 3.703 123.843 120.200 -0.100 0.000 2.113 623 E HA 0.471 4.914 4.350 0.155 0.000 0.273 623 E C 0.491 177.054 176.600 -0.062 0.000 0.924 623 E CA -0.421 55.926 56.400 -0.088 0.000 0.764 623 E CB 1.287 30.938 29.700 -0.081 0.000 1.104 623 E HN 0.916 nan 8.360 nan 0.000 0.406 624 G N 4.701 113.467 108.800 -0.057 0.000 2.634 624 G HA2 -0.442 3.611 3.960 0.155 0.000 0.318 624 G HA3 -0.442 3.611 3.960 0.155 0.000 0.318 624 G C 0.597 175.476 174.900 -0.035 0.000 1.207 624 G CA 0.828 45.904 45.100 -0.040 0.000 0.987 624 G HN 0.637 nan 8.290 nan 0.000 0.547 625 D N 0.972 121.355 120.400 -0.028 0.000 2.340 625 D HA 0.312 5.045 4.640 0.155 0.000 0.220 625 D C 0.852 177.139 176.300 -0.022 0.000 1.039 625 D CA 0.699 54.686 54.000 -0.021 0.000 0.866 625 D CB 0.089 40.879 40.800 -0.016 0.000 0.913 625 D HN 0.196 nan 8.370 nan 0.000 0.523 626 K N -0.138 120.244 120.400 -0.030 0.000 2.281 626 K HA 0.538 4.952 4.320 0.155 0.000 0.242 626 K C -0.692 175.884 176.600 -0.039 0.000 0.971 626 K CA -0.616 55.653 56.287 -0.029 0.000 0.834 626 K CB 1.638 34.121 32.500 -0.029 0.000 1.181 626 K HN -0.132 nan 8.250 nan 0.000 0.435 627 Q N 0.661 120.443 119.800 -0.031 0.000 2.375 627 Q HA 0.532 4.965 4.340 0.155 0.000 0.271 627 Q C -1.150 174.833 176.000 -0.028 0.000 1.074 627 Q CA -0.915 54.866 55.803 -0.037 0.000 0.808 627 Q CB 2.902 31.628 28.738 -0.020 0.000 1.327 627 Q HN 0.320 nan 8.270 nan 0.000 0.441 628 R N 2.482 122.959 120.500 -0.039 0.000 2.698 628 R HA 0.566 4.999 4.340 0.155 0.000 0.275 628 R C -1.457 174.822 176.300 -0.035 0.000 1.001 628 R CA -0.422 55.662 56.100 -0.027 0.000 0.896 628 R CB 1.664 31.944 30.300 -0.033 0.000 1.218 628 R HN 0.674 nan 8.270 nan 0.000 0.462 629 M N 2.610 122.183 119.600 -0.046 0.000 2.644 629 M HA 0.508 5.082 4.480 0.155 0.000 0.316 629 M C -0.817 175.375 176.300 -0.179 0.000 1.200 629 M CA -1.191 54.019 55.300 -0.150 0.000 0.944 629 M CB 2.342 34.800 32.600 -0.236 0.000 1.691 629 M HN 0.208 nan 8.290 nan 0.000 0.471 630 V N 1.540 121.285 119.914 -0.282 0.000 2.656 630 V HA 0.579 4.792 4.120 0.155 0.000 0.307 630 V C -1.349 174.475 176.094 -0.451 0.000 1.051 630 V CA -0.628 61.564 62.300 -0.180 0.000 0.893 630 V CB 2.087 33.962 31.823 0.086 0.000 0.999 630 V HN 0.608 nan 8.190 nan 0.000 0.426 631 F N 2.981 122.858 119.950 -0.122 0.000 2.520 631 F HA 0.704 5.324 4.527 0.155 0.000 0.322 631 F C 0.158 175.757 175.800 -0.335 0.000 1.103 631 F CA -0.692 57.169 58.000 -0.231 0.000 0.926 631 F CB 2.098 40.969 39.000 -0.215 0.000 1.154 631 F HN 0.156 nan 8.300 nan 0.000 0.453 632 K N 1.300 121.500 120.400 -0.334 0.000 2.541 632 K HA 0.469 4.882 4.320 0.155 0.000 0.250 632 K C 0.246 176.659 176.600 -0.312 0.000 0.950 632 K CA -0.167 55.860 56.287 -0.435 0.000 0.805 632 K CB 1.629 33.564 32.500 -0.941 0.000 1.166 632 K HN 0.778 nan 8.250 nan 0.000 0.430 633 G N 2.587 111.274 108.800 -0.189 0.000 2.198 633 G HA2 -0.261 3.793 3.960 0.155 0.000 0.260 633 G HA3 -0.261 3.793 3.960 0.155 0.000 0.260 633 G C -0.370 174.435 174.900 -0.158 0.000 1.025 633 G CA 0.294 45.310 45.100 -0.139 0.000 0.769 633 G HN 0.314 nan 8.290 nan 0.000 0.507 634 L N -1.114 119.991 121.223 -0.198 0.000 2.303 634 L HA 0.566 4.999 4.340 0.155 0.000 0.266 634 L C 1.424 178.040 176.870 -0.424 0.000 1.011 634 L CA -0.549 54.128 54.840 -0.272 0.000 0.818 634 L CB 1.282 43.211 42.059 -0.218 0.000 1.326 634 L HN 0.214 nan 8.230 nan 0.000 0.435 635 E N -0.472 119.340 120.200 -0.646 0.000 2.219 635 E HA -0.198 4.245 4.350 0.155 0.000 0.198 635 E C 1.227 177.375 176.600 -0.754 0.000 0.998 635 E CA 1.773 57.534 56.400 -1.064 0.000 0.818 635 E CB -0.183 28.518 29.700 -1.665 0.000 0.741 635 E HN 0.740 nan 8.360 nan 0.000 0.477 636 T N 0.241 114.387 114.554 -0.680 0.000 2.881 636 T HA -0.092 4.351 4.350 0.155 0.000 0.270 636 T C 1.947 176.420 174.700 -0.378 0.000 1.068 636 T CA 0.780 62.513 62.100 -0.613 0.000 1.131 636 T CB -0.044 68.168 68.868 -1.093 0.000 0.871 636 T HN 0.016 nan 8.240 nan 0.000 0.479 637 V N 0.523 120.240 119.914 -0.329 0.000 2.407 637 V HA 0.031 4.244 4.120 0.155 0.000 0.245 637 V C 1.409 177.436 176.094 -0.113 0.000 1.041 637 V CA 0.801 62.992 62.300 -0.181 0.000 1.040 637 V CB -0.294 31.438 31.823 -0.152 0.000 0.671 637 V HN 0.302 nan 8.190 nan 0.000 0.455 638 R N 0.758 121.173 120.500 -0.141 0.000 2.537 638 R HA -0.002 4.432 4.340 0.155 0.000 0.281 638 R C 1.234 177.594 176.300 0.100 0.000 0.988 638 R CA 0.471 56.574 56.100 0.005 0.000 1.077 638 R CB 0.399 30.720 30.300 0.035 0.000 0.932 638 R HN 0.295 nan 8.270 nan 0.000 0.409 639 T N 0.960 115.590 114.554 0.127 0.000 3.088 639 T HA -0.077 4.366 4.350 0.155 0.000 0.259 639 T C 0.560 175.371 174.700 0.185 0.000 1.122 639 T CA 1.009 63.187 62.100 0.130 0.000 1.095 639 T CB -0.007 68.927 68.868 0.110 0.000 0.930 639 T HN 0.604 nan 8.240 nan 0.000 0.508 640 D N -0.878 119.677 120.400 0.259 0.000 2.525 640 D HA 0.142 4.875 4.640 0.155 0.000 0.229 640 D C -0.356 176.162 176.300 0.364 0.000 1.202 640 D CA -0.608 53.556 54.000 0.274 0.000 0.828 640 D CB -0.224 40.709 40.800 0.223 0.000 1.008 640 D HN 0.280 nan 8.370 nan 0.000 0.493 641 W N 0.102 121.480 121.300 0.131 0.000 2.820 641 W HA 0.517 5.270 4.660 0.155 0.000 0.350 641 W C 0.109 176.637 176.519 0.015 0.000 1.116 641 W CA -0.743 56.676 57.345 0.124 0.000 1.146 641 W CB 1.541 31.027 29.460 0.042 0.000 1.433 641 W HN -0.366 nan 8.180 nan 0.000 0.561 642 T N 3.011 117.660 114.554 0.159 0.000 2.913 642 T HA 0.106 4.549 4.350 0.155 0.000 0.297 642 T C -1.900 172.812 174.700 0.020 0.000 1.029 642 T CA -0.773 61.287 62.100 -0.066 0.000 1.104 642 T CB 1.001 69.743 68.868 -0.210 0.000 0.964 642 T HN 0.058 nan 8.240 nan 0.000 0.532 643 P HA 0.058 nan 4.420 nan 0.000 0.226 643 P C 1.456 178.738 177.300 -0.031 0.000 1.153 643 P CA 0.344 63.422 63.100 -0.036 0.000 0.777 643 P CB 0.172 31.836 31.700 -0.060 0.000 0.794 644 L N -0.727 120.463 121.223 -0.056 0.000 2.023 644 L HA -0.071 4.362 4.340 0.155 0.000 0.205 644 L C 2.057 178.957 176.870 0.050 0.000 1.073 644 L CA 1.822 56.627 54.840 -0.058 0.000 0.745 644 L CB -0.845 41.124 42.059 -0.150 0.000 0.900 644 L HN -0.038 nan 8.230 nan 0.000 0.435 645 A N -0.787 122.092 122.820 0.098 0.000 1.969 645 A HA -0.222 4.191 4.320 0.155 0.000 0.218 645 A C 2.036 179.706 177.584 0.142 0.000 1.169 645 A CA 1.301 53.476 52.037 0.230 0.000 0.635 645 A CB -0.353 18.902 19.000 0.426 0.000 0.810 645 A HN 0.621 nan 8.150 nan 0.000 0.445 646 Q N -1.020 118.809 119.800 0.049 0.000 2.123 646 Q HA -0.132 4.301 4.340 0.155 0.000 0.199 646 Q C 2.271 178.222 176.000 -0.081 0.000 0.966 646 Q CA 1.198 56.945 55.803 -0.092 0.000 0.845 646 Q CB -0.136 28.551 28.738 -0.086 0.000 0.907 646 Q HN 0.714 nan 8.270 nan 0.000 0.439 647 Q N -0.208 119.603 119.800 0.018 0.000 2.079 647 Q HA -0.146 4.287 4.340 0.155 0.000 0.200 647 Q C 1.906 177.984 176.000 0.130 0.000 0.974 647 Q CA 0.929 56.764 55.803 0.054 0.000 0.840 647 Q CB -0.057 28.734 28.738 0.087 0.000 0.898 647 Q HN 0.273 nan 8.270 nan 0.000 0.430 648 F N 1.723 121.691 119.950 0.029 0.000 2.095 648 F HA -0.277 4.343 4.527 0.155 0.000 0.298 648 F C 2.448 178.277 175.800 0.049 0.000 1.104 648 F CA 2.015 60.086 58.000 0.118 0.000 1.232 648 F CB -0.301 38.749 39.000 0.083 0.000 0.987 648 F HN 0.087 nan 8.300 nan 0.000 0.475 649 Q N -0.363 119.343 119.800 -0.156 0.000 2.050 649 Q HA -0.258 4.175 4.340 0.155 0.000 0.202 649 Q C 2.275 177.987 176.000 -0.481 0.000 0.980 649 Q CA 1.881 57.397 55.803 -0.479 0.000 0.840 649 Q CB -0.144 28.197 28.738 -0.662 0.000 0.898 649 Q HN 0.496 nan 8.270 nan 0.000 0.424 650 Q N 0.246 119.849 119.800 -0.329 0.000 2.002 650 Q HA -0.205 4.228 4.340 0.155 0.000 0.204 650 Q C 1.931 177.890 176.000 -0.068 0.000 0.988 650 Q CA 2.085 57.836 55.803 -0.086 0.000 0.843 650 Q CB 0.028 28.745 28.738 -0.034 0.000 0.908 650 Q HN 0.424 nan 8.270 nan 0.000 0.420 651 E N 0.089 120.205 120.200 -0.141 0.000 2.058 651 E HA -0.226 4.217 4.350 0.155 0.000 0.194 651 E C 2.067 178.424 176.600 -0.405 0.000 0.997 651 E CA 1.139 57.368 56.400 -0.285 0.000 0.801 651 E CB -0.297 29.174 29.700 -0.382 0.000 0.746 651 E HN 0.231 nan 8.360 nan 0.000 0.450 652 L N 0.445 121.432 121.223 -0.394 0.000 2.046 652 L HA -0.185 4.248 4.340 0.155 0.000 0.208 652 L C 2.253 179.011 176.870 -0.186 0.000 1.077 652 L CA 1.596 56.233 54.840 -0.338 0.000 0.747 652 L CB -0.473 41.316 42.059 -0.449 0.000 0.896 652 L HN 0.017 nan 8.230 nan 0.000 0.432 653 Y N -0.278 119.774 120.300 -0.413 0.000 2.163 653 Y HA -0.168 4.475 4.550 0.156 0.000 0.288 653 Y C 2.300 177.795 175.900 -0.675 0.000 1.136 653 Y CA 1.479 59.204 58.100 -0.625 0.000 1.147 653 Y CB -1.111 37.080 38.460 -0.449 0.000 0.987 653 Y HN 0.357 nan 8.280 nan 0.000 0.509 654 L N 0.023 121.199 121.223 -0.078 0.000 2.156 654 L HA -0.022 4.411 4.340 0.155 0.000 0.208 654 L C 1.897 178.755 176.870 -0.020 0.000 1.095 654 L CA 1.167 56.040 54.840 0.055 0.000 0.770 654 L CB -1.151 40.980 42.059 0.119 0.000 0.914 654 L HN -0.036 nan 8.230 nan 0.000 0.439 655 R N 0.471 120.903 120.500 -0.113 0.000 2.080 655 R HA -0.079 4.354 4.340 0.155 0.000 0.236 655 R C 2.406 178.673 176.300 -0.055 0.000 1.137 655 R CA 2.036 58.090 56.100 -0.076 0.000 0.943 655 R CB -0.737 29.505 30.300 -0.097 0.000 0.846 655 R HN 0.429 nan 8.270 nan 0.000 0.431 656 I N 0.357 120.823 120.570 -0.173 0.000 2.226 656 I HA -0.273 3.990 4.170 0.155 0.000 0.245 656 I C 2.145 178.210 176.117 -0.087 0.000 1.100 656 I CA 1.326 62.500 61.300 -0.209 0.000 1.374 656 I CB -0.356 37.358 38.000 -0.477 0.000 1.057 656 I HN 0.019 nan 8.210 nan 0.000 0.413 657 F N 1.476 121.362 119.950 -0.107 0.000 2.161 657 F HA -0.187 4.433 4.527 0.155 0.000 0.300 657 F C 2.329 178.106 175.800 -0.037 0.000 1.089 657 F CA 1.348 59.300 58.000 -0.080 0.000 1.282 657 F CB -0.767 38.193 39.000 -0.066 0.000 1.010 657 F HN 0.057 nan 8.300 nan 0.000 0.485 658 R N 0.492 121.091 120.500 0.165 0.000 2.325 658 R HA 0.042 4.475 4.340 0.155 0.000 0.214 658 R C 0.160 176.502 176.300 0.070 0.000 0.961 658 R CA 0.254 56.413 56.100 0.098 0.000 1.086 658 R CB -0.569 29.774 30.300 0.071 0.000 1.037 658 R HN 0.198 nan 8.270 nan 0.000 0.493 659 N N 1.183 119.925 118.700 0.070 0.000 2.708 659 N HA -0.205 4.628 4.740 0.155 0.000 0.251 659 N C -0.499 175.047 175.510 0.059 0.000 1.123 659 N CA 1.200 54.287 53.050 0.062 0.000 0.739 659 N CB -0.700 37.823 38.487 0.061 0.000 1.113 659 N HN 0.546 nan 8.380 nan 0.000 0.561 660 E N 0.506 120.739 120.200 0.055 0.000 2.322 660 E HA 0.332 4.775 4.350 0.155 0.000 0.257 660 E C -2.093 174.558 176.600 0.087 0.000 1.155 660 E CA -1.358 55.072 56.400 0.050 0.000 0.936 660 E CB 0.708 30.426 29.700 0.029 0.000 1.130 660 E HN 0.062 nan 8.360 nan 0.000 0.465 661 P HA 0.084 nan 4.420 nan 0.000 0.294 661 P C -1.084 176.258 177.300 0.070 0.000 1.294 661 P CA 0.005 63.130 63.100 0.043 0.000 0.827 661 P CB 0.418 32.104 31.700 -0.024 0.000 0.992 662 Y N 0.309 120.609 120.300 0.000 0.000 2.471 662 Y HA 0.322 4.966 4.550 0.155 0.000 0.249 662 Y C 2.040 177.993 175.900 0.089 0.000 1.116 662 Y CA -0.094 58.025 58.100 0.031 0.000 1.240 662 Y CB -0.420 38.027 38.460 -0.021 0.000 1.251 662 Y HN 0.138 nan 8.280 nan 0.000 0.527 663 Q N 1.473 120.878 119.800 -0.658 0.000 2.135 663 Q HA -0.191 4.242 4.340 0.155 0.000 0.204 663 Q C 1.446 177.405 176.000 -0.067 0.000 0.981 663 Q CA 2.322 57.906 55.803 -0.365 0.000 0.856 663 Q CB -0.027 28.468 28.738 -0.405 0.000 0.902 663 Q HN 0.691 nan 8.270 nan 0.000 0.425 664 E N -0.661 119.521 120.200 -0.030 0.000 2.158 664 E HA -0.166 4.277 4.350 0.155 0.000 0.191 664 E C 1.549 178.199 176.600 0.083 0.000 0.982 664 E CA 0.433 56.845 56.400 0.019 0.000 0.823 664 E CB -0.045 29.663 29.700 0.014 0.000 0.766 664 E HN 0.338 nan 8.360 nan 0.000 0.468 665 Y N 1.032 121.358 120.300 0.043 0.000 2.165 665 Y HA -0.273 4.370 4.550 0.155 0.000 0.286 665 Y C 2.005 178.001 175.900 0.161 0.000 1.155 665 Y CA 1.228 59.383 58.100 0.091 0.000 1.164 665 Y CB -0.277 38.242 38.460 0.099 0.000 0.978 665 Y HN -0.169 nan 8.280 nan 0.000 0.513 666 V N 0.902 120.943 119.914 0.211 0.000 2.407 666 V HA -0.273 3.941 4.120 0.155 0.000 0.248 666 V C 2.622 178.738 176.094 0.037 0.000 1.055 666 V CA 2.050 64.484 62.300 0.224 0.000 1.049 666 V CB -0.560 31.462 31.823 0.332 0.000 0.662 666 V HN 0.336 nan 8.190 nan 0.000 0.455 667 R N 0.157 120.659 120.500 0.005 0.000 2.062 667 R HA -0.131 4.302 4.340 0.155 0.000 0.231 667 R C 2.309 178.559 176.300 -0.083 0.000 1.136 667 R CA 1.710 57.789 56.100 -0.035 0.000 0.948 667 R CB -0.451 29.833 30.300 -0.027 0.000 0.845 667 R HN 0.680 nan 8.270 nan 0.000 0.430 668 E N -0.355 119.785 120.200 -0.100 0.000 2.085 668 E HA -0.161 4.282 4.350 0.155 0.000 0.194 668 E C 1.888 178.379 176.600 -0.182 0.000 0.994 668 E CA 1.743 58.070 56.400 -0.122 0.000 0.801 668 E CB -0.303 29.328 29.700 -0.114 0.000 0.743 668 E HN 0.320 nan 8.360 nan 0.000 0.453 669 T N 1.875 116.266 114.554 -0.272 0.000 2.652 669 T HA -0.162 4.282 4.350 0.155 0.000 0.267 669 T C 2.067 176.606 174.700 -0.269 0.000 1.039 669 T CA 1.155 63.066 62.100 -0.315 0.000 1.153 669 T CB -0.253 68.394 68.868 -0.368 0.000 0.863 669 T HN 0.119 nan 8.240 nan 0.000 0.428 670 I N 1.083 121.520 120.570 -0.222 0.000 2.252 670 I HA -0.162 4.102 4.170 0.155 0.000 0.245 670 I C 2.351 178.376 176.117 -0.153 0.000 1.102 670 I CA 1.175 62.361 61.300 -0.189 0.000 1.385 670 I CB -0.358 37.572 38.000 -0.118 0.000 1.064 670 I HN 0.130 nan 8.210 nan 0.000 0.414 671 D N 1.198 121.526 120.400 -0.119 0.000 2.104 671 D HA -0.175 4.558 4.640 0.155 0.000 0.194 671 D C 2.176 178.412 176.300 -0.107 0.000 0.994 671 D CA 1.298 55.245 54.000 -0.089 0.000 0.830 671 D CB -0.159 40.601 40.800 -0.068 0.000 0.959 671 D HN 0.355 nan 8.370 nan 0.000 0.452 672 K N 0.159 120.477 120.400 -0.137 0.000 2.057 672 K HA -0.082 4.331 4.320 0.155 0.000 0.206 672 K C 2.163 178.636 176.600 -0.211 0.000 1.050 672 K CA 0.297 56.499 56.287 -0.143 0.000 0.935 672 K CB -0.291 32.124 32.500 -0.140 0.000 0.715 672 K HN 0.076 nan 8.250 nan 0.000 0.439 673 L N 1.550 122.601 121.223 -0.287 0.000 1.971 673 L HA -0.200 4.233 4.340 0.155 0.000 0.215 673 L C 2.164 178.662 176.870 -0.621 0.000 1.072 673 L CA 1.906 56.459 54.840 -0.479 0.000 0.758 673 L CB -0.483 41.294 42.059 -0.470 0.000 0.889 673 L HN 0.134 nan 8.230 nan 0.000 0.433 674 M N -0.522 118.884 119.600 -0.324 0.000 2.279 674 M HA -0.066 4.507 4.480 0.155 0.000 0.264 674 M C 2.279 178.623 176.300 0.072 0.000 1.062 674 M CA 1.498 56.780 55.300 -0.029 0.000 1.099 674 M CB -1.611 31.022 32.600 0.054 0.000 1.394 674 M HN 0.525 nan 8.290 nan 0.000 0.426 675 A N -0.372 122.427 122.820 -0.035 0.000 2.168 675 A HA 0.284 4.697 4.320 0.155 0.000 0.215 675 A C 1.856 179.455 177.584 0.026 0.000 1.152 675 A CA 1.326 53.364 52.037 0.002 0.000 0.716 675 A CB -0.735 18.244 19.000 -0.034 0.000 0.794 675 A HN 0.641 nan 8.150 nan 0.000 0.465 676 G N -1.056 107.747 108.800 0.006 0.000 2.175 676 G HA2 -0.273 3.780 3.960 0.155 0.000 0.244 676 G HA3 -0.273 3.780 3.960 0.155 0.000 0.244 676 G C 0.564 175.442 174.900 -0.037 0.000 0.982 676 G CA 0.627 45.758 45.100 0.052 0.000 0.641 676 G HN 0.575 nan 8.290 nan 0.000 0.527 677 E N -0.526 119.623 120.200 -0.085 0.000 2.285 677 E HA 0.154 4.597 4.350 0.155 0.000 0.194 677 E C 1.075 177.607 176.600 -0.113 0.000 0.997 677 E CA 0.607 56.957 56.400 -0.084 0.000 0.845 677 E CB 0.025 29.678 29.700 -0.079 0.000 0.782 677 E HN 0.592 nan 8.360 nan 0.000 0.491 678 L N 1.325 122.441 121.223 -0.178 0.000 2.709 678 L HA 0.268 4.701 4.340 0.155 0.000 0.236 678 L C -0.221 176.508 176.870 -0.235 0.000 1.266 678 L CA -0.381 54.343 54.840 -0.194 0.000 0.987 678 L CB 0.758 42.680 42.059 -0.228 0.000 1.306 678 L HN -0.136 nan 8.230 nan 0.000 0.467 679 D N 0.957 121.255 120.400 -0.169 0.000 2.392 679 D HA 0.085 4.818 4.640 0.155 0.000 0.206 679 D C 2.068 178.278 176.300 -0.149 0.000 1.046 679 D CA 0.507 54.404 54.000 -0.172 0.000 0.865 679 D CB 0.699 41.452 40.800 -0.079 0.000 0.969 679 D HN 0.424 nan 8.370 nan 0.000 0.509 680 A N 1.219 123.969 122.820 -0.116 0.000 2.076 680 A HA -0.190 4.223 4.320 0.155 0.000 0.220 680 A C 1.806 179.321 177.584 -0.116 0.000 1.160 680 A CA 1.045 53.025 52.037 -0.095 0.000 0.653 680 A CB -0.397 18.559 19.000 -0.073 0.000 0.801 680 A HN 0.183 nan 8.150 nan 0.000 0.455 681 R N -1.333 119.075 120.500 -0.153 0.000 2.359 681 R HA 0.304 4.737 4.340 0.155 0.000 0.231 681 R C 0.315 176.468 176.300 -0.245 0.000 0.913 681 R CA -0.135 55.864 56.100 -0.167 0.000 1.075 681 R CB -0.037 30.171 30.300 -0.153 0.000 1.087 681 R HN 0.280 nan 8.270 nan 0.000 0.515 682 L N 0.973 122.019 121.223 -0.295 0.000 2.611 682 L HA 0.104 4.538 4.340 0.155 0.000 0.229 682 L C -0.104 176.571 176.870 -0.325 0.000 1.137 682 L CA 0.400 54.984 54.840 -0.426 0.000 0.901 682 L CB 0.785 42.499 42.059 -0.575 0.000 1.098 682 L HN -0.089 nan 8.230 nan 0.000 0.456 683 V N -1.095 118.664 119.914 -0.257 0.000 2.406 683 V HA 0.213 4.426 4.120 0.155 0.000 0.272 683 V C 0.138 176.051 176.094 -0.302 0.000 1.043 683 V CA -1.096 61.078 62.300 -0.211 0.000 0.915 683 V CB -0.261 31.501 31.823 -0.102 0.000 0.988 683 V HN 0.019 nan 8.190 nan 0.000 0.466 684 Y N 3.506 123.650 120.300 -0.260 0.000 2.289 684 Y HA 0.676 5.319 4.550 0.155 0.000 0.332 684 Y C 0.627 176.401 175.900 -0.211 0.000 1.324 684 Y CA -0.338 57.566 58.100 -0.328 0.000 1.478 684 Y CB 0.734 38.733 38.460 -0.769 0.000 1.378 684 Y HN 0.605 nan 8.280 nan 0.000 0.558 685 R N 0.810 121.378 120.500 0.114 0.000 2.668 685 R HA 0.597 5.030 4.340 0.155 0.000 0.272 685 R C -1.923 174.496 176.300 0.198 0.000 1.019 685 R CA -0.896 55.291 56.100 0.146 0.000 0.894 685 R CB 1.619 31.989 30.300 0.116 0.000 1.228 685 R HN 0.644 nan 8.270 nan 0.000 0.460 686 K N 0.633 121.157 120.400 0.208 0.000 2.575 686 K HA 0.458 4.871 4.320 0.155 0.000 0.279 686 K C -1.610 175.057 176.600 0.113 0.000 0.969 686 K CA -0.908 55.454 56.287 0.125 0.000 0.868 686 K CB 1.259 33.793 32.500 0.057 0.000 1.457 686 K HN 0.657 nan 8.250 nan 0.000 0.426 687 R N 2.310 122.846 120.500 0.061 0.000 2.604 687 R HA 0.572 5.005 4.340 0.155 0.000 0.287 687 R C -0.804 175.546 176.300 0.083 0.000 0.970 687 R CA -0.892 55.275 56.100 0.111 0.000 0.946 687 R CB 0.715 31.093 30.300 0.130 0.000 1.127 687 R HN 0.319 nan 8.270 nan 0.000 0.473 688 L N 3.052 124.361 121.223 0.142 0.000 2.262 688 L HA 0.449 4.882 4.340 0.155 0.000 0.288 688 L C 0.250 177.212 176.870 0.154 0.000 1.035 688 L CA -0.436 54.507 54.840 0.171 0.000 0.820 688 L CB 1.103 43.288 42.059 0.209 0.000 1.204 688 L HN 0.572 nan 8.230 nan 0.000 0.424 689 R N 4.423 125.026 120.500 0.173 0.000 2.651 689 R HA 0.614 5.047 4.340 0.155 0.000 0.282 689 R C -0.622 175.742 176.300 0.107 0.000 1.565 689 R CA -0.737 55.436 56.100 0.122 0.000 1.661 689 R CB 1.048 31.411 30.300 0.105 0.000 1.189 689 R HN 0.615 nan 8.270 nan 0.000 0.621 690 R N 0.417 120.978 120.500 0.102 0.000 3.720 690 R HA 0.046 4.480 4.340 0.155 0.000 0.263 690 R C -3.389 172.969 176.300 0.096 0.000 0.918 690 R CA -0.788 55.327 56.100 0.025 0.000 0.804 690 R CB 0.280 30.511 30.300 -0.115 0.000 1.397 690 R HN 0.093 nan 8.270 nan 0.000 0.521 691 P HA 0.299 nan 4.420 nan 0.000 0.301 691 P C -0.033 177.380 177.300 0.188 0.000 1.348 691 P CA -0.664 62.492 63.100 0.093 0.000 0.826 691 P CB 1.041 32.756 31.700 0.025 0.000 0.945 692 L N 1.852 123.268 121.223 0.323 0.000 2.103 692 L HA -0.286 4.147 4.340 0.155 0.000 0.215 692 L C 2.132 179.215 176.870 0.355 0.000 1.080 692 L CA 2.234 57.331 54.840 0.428 0.000 0.764 692 L CB -2.139 40.022 42.059 0.169 0.000 0.890 692 L HN 0.335 nan 8.230 nan 0.000 0.435 693 S N -0.651 115.150 115.700 0.168 0.000 2.370 693 S HA -0.228 4.335 4.470 0.155 0.000 0.226 693 S C 1.714 176.349 174.600 0.059 0.000 1.033 693 S CA 1.300 59.553 58.200 0.089 0.000 1.011 693 S CB -0.618 62.610 63.200 0.047 0.000 0.852 693 S HN 0.583 nan 8.310 nan 0.000 0.457 694 E N 0.282 120.479 120.200 -0.006 0.000 2.515 694 E HA -0.005 4.438 4.350 0.155 0.000 0.201 694 E C -0.778 175.710 176.600 -0.188 0.000 1.071 694 E CA 0.273 56.597 56.400 -0.126 0.000 0.880 694 E CB -0.086 29.490 29.700 -0.207 0.000 0.828 694 E HN 0.674 nan 8.360 nan 0.000 0.540 695 Y N 0.852 121.146 120.300 -0.011 0.000 2.385 695 Y HA 0.128 4.771 4.550 0.155 0.000 0.341 695 Y C 1.271 177.154 175.900 -0.028 0.000 0.965 695 Y CA -0.496 57.591 58.100 -0.022 0.000 1.180 695 Y CB 0.876 39.314 38.460 -0.037 0.000 1.139 695 Y HN -0.068 nan 8.280 nan 0.000 0.502 696 Q N 1.925 121.781 119.800 0.092 0.000 2.422 696 Q HA 0.208 4.641 4.340 0.155 0.000 0.255 696 Q C 0.313 176.332 176.000 0.032 0.000 0.864 696 Q CA 0.055 55.887 55.803 0.048 0.000 0.968 696 Q CB 1.252 30.001 28.738 0.019 0.000 1.130 696 Q HN 0.552 nan 8.270 nan 0.000 0.556 697 R N 1.588 122.109 120.500 0.035 0.000 2.494 697 R HA 0.242 4.675 4.340 0.155 0.000 0.305 697 R C -0.788 175.525 176.300 0.023 0.000 0.959 697 R CA -0.341 55.770 56.100 0.019 0.000 0.864 697 R CB 0.673 30.980 30.300 0.012 0.000 1.159 697 R HN 0.002 nan 8.270 nan 0.000 0.446 698 N N 1.174 119.876 118.700 0.004 0.000 2.688 698 N HA -0.164 4.669 4.740 0.155 0.000 0.258 698 N C -0.356 175.149 175.510 -0.009 0.000 1.016 698 N CA 1.162 54.209 53.050 -0.005 0.000 0.747 698 N CB -1.505 36.985 38.487 0.005 0.000 0.895 698 N HN 0.428 nan 8.380 nan 0.000 0.543 699 V N -1.413 118.480 119.914 -0.035 0.000 2.655 699 V HA 0.573 4.786 4.120 0.155 0.000 0.300 699 V C -1.210 174.775 176.094 -0.181 0.000 1.044 699 V CA -1.088 61.157 62.300 -0.093 0.000 1.095 699 V CB 0.798 32.550 31.823 -0.118 0.000 0.952 699 V HN 0.189 nan 8.190 nan 0.000 0.485 700 P HA 0.488 nan 4.420 nan 0.000 0.287 700 P C -2.452 174.435 177.300 -0.689 0.000 1.279 700 P CA -2.204 60.639 63.100 -0.428 0.000 0.867 700 P CB 1.629 33.121 31.700 -0.346 0.000 1.127 701 P HA -0.266 nan 4.420 nan 0.000 0.218 701 P C 1.530 178.253 177.300 -0.962 0.000 1.165 701 P CA 2.084 64.755 63.100 -0.715 0.000 0.922 701 P CB -0.630 30.774 31.700 -0.492 0.000 0.794 702 H N -1.332 117.213 119.070 -0.875 0.000 2.422 702 H HA -0.031 4.618 4.556 0.155 0.000 0.298 702 H C 1.900 176.899 175.328 -0.549 0.000 1.098 702 H CA 1.096 56.663 56.048 -0.801 0.000 1.315 702 H CB -1.724 27.801 29.762 -0.396 0.000 1.382 702 H HN 0.014 nan 8.280 nan 0.000 0.523 703 V N 1.846 121.155 119.914 -1.009 0.000 2.307 703 V HA -0.196 4.017 4.120 0.155 0.000 0.245 703 V C 2.856 178.626 176.094 -0.540 0.000 1.045 703 V CA 1.580 63.412 62.300 -0.781 0.000 1.024 703 V CB -0.392 30.868 31.823 -0.938 0.000 0.651 703 V HN 0.263 nan 8.190 nan 0.000 0.449 704 R N 0.466 120.650 120.500 -0.527 0.000 2.083 704 R HA -0.102 4.331 4.340 0.155 0.000 0.237 704 R C 2.180 178.290 176.300 -0.317 0.000 1.137 704 R CA 1.827 57.702 56.100 -0.375 0.000 0.951 704 R CB -0.987 29.089 30.300 -0.373 0.000 0.851 704 R HN 0.542 nan 8.270 nan 0.000 0.434 705 A N -0.028 122.578 122.820 -0.356 0.000 2.218 705 A HA 0.257 4.670 4.320 0.155 0.000 0.209 705 A C 2.046 179.478 177.584 -0.253 0.000 1.168 705 A CA 0.881 52.773 52.037 -0.242 0.000 0.804 705 A CB -0.065 18.824 19.000 -0.186 0.000 0.834 705 A HN 0.312 nan 8.150 nan 0.000 0.482 706 A N 0.490 123.095 122.820 -0.359 0.000 1.897 706 A HA -0.070 4.343 4.320 0.155 0.000 0.215 706 A C 2.207 179.700 177.584 -0.150 0.000 1.181 706 A CA 1.256 53.021 52.037 -0.453 0.000 0.620 706 A CB -0.348 18.416 19.000 -0.393 0.000 0.821 706 A HN 0.492 nan 8.150 nan 0.000 0.443 707 R N -0.459 119.956 120.500 -0.142 0.000 2.092 707 R HA 0.059 4.492 4.340 0.155 0.000 0.231 707 R C 1.972 178.246 176.300 -0.043 0.000 1.119 707 R CA 1.189 57.251 56.100 -0.063 0.000 0.970 707 R CB -0.403 29.838 30.300 -0.098 0.000 0.864 707 R HN 0.465 nan 8.270 nan 0.000 0.440 708 L N -0.076 121.102 121.223 -0.077 0.000 2.141 708 L HA -0.102 4.332 4.340 0.155 0.000 0.209 708 L C 2.533 179.392 176.870 -0.019 0.000 1.094 708 L CA 1.067 55.871 54.840 -0.061 0.000 0.763 708 L CB -0.521 41.490 42.059 -0.080 0.000 0.908 708 L HN 0.263 nan 8.230 nan 0.000 0.437 709 A N -0.458 122.408 122.820 0.076 0.000 1.874 709 A HA -0.178 4.235 4.320 0.155 0.000 0.214 709 A C 1.927 179.616 177.584 0.175 0.000 1.189 709 A CA 1.480 53.677 52.037 0.267 0.000 0.615 709 A CB -0.366 18.969 19.000 0.558 0.000 0.830 709 A HN 0.256 nan 8.150 nan 0.000 0.443 710 D N -0.768 119.785 120.400 0.255 0.000 2.269 710 D HA -0.078 4.655 4.640 0.155 0.000 0.208 710 D C 1.854 178.155 176.300 0.002 0.000 0.963 710 D CA 1.218 55.313 54.000 0.158 0.000 0.864 710 D CB -0.034 40.901 40.800 0.225 0.000 0.936 710 D HN 0.670 nan 8.370 nan 0.000 0.505 711 E N 1.272 121.447 120.200 -0.041 0.000 2.110 711 E HA -0.157 4.286 4.350 0.155 0.000 0.193 711 E C 1.379 177.900 176.600 -0.132 0.000 0.988 711 E CA 1.265 57.621 56.400 -0.073 0.000 0.804 711 E CB -0.036 29.620 29.700 -0.073 0.000 0.745 711 E HN 0.233 nan 8.360 nan 0.000 0.458 712 E N -0.296 119.749 120.200 -0.259 0.000 2.478 712 E HA 0.055 4.498 4.350 0.155 0.000 0.194 712 E C 1.129 177.508 176.600 -0.368 0.000 1.045 712 E CA -0.067 56.116 56.400 -0.363 0.000 0.868 712 E CB -0.053 29.282 29.700 -0.609 0.000 0.885 712 E HN 0.379 nan 8.360 nan 0.000 0.505 713 N N 0.815 119.359 118.700 -0.261 0.000 2.609 713 N HA -0.131 4.702 4.740 0.155 0.000 0.190 713 N C 1.590 177.078 175.510 -0.037 0.000 1.157 713 N CA 0.450 53.455 53.050 -0.074 0.000 0.918 713 N CB 0.192 38.693 38.487 0.022 0.000 0.978 713 N HN 0.195 nan 8.380 nan 0.000 0.448 714 Q N 0.020 119.775 119.800 -0.075 0.000 2.404 714 Q HA 0.132 4.565 4.340 0.155 0.000 0.262 714 Q C 1.353 177.326 176.000 -0.046 0.000 0.846 714 Q CA -0.164 55.613 55.803 -0.042 0.000 0.978 714 Q CB 0.512 29.229 28.738 -0.036 0.000 1.156 714 Q HN 0.021 nan 8.270 nan 0.000 0.548 715 K N 0.491 120.846 120.400 -0.075 0.000 2.281 715 K HA -0.103 4.310 4.320 0.155 0.000 0.203 715 K C -0.174 176.406 176.600 -0.033 0.000 1.046 715 K CA 0.920 57.172 56.287 -0.057 0.000 0.938 715 K CB 0.221 32.675 32.500 -0.076 0.000 0.737 715 K HN 0.019 nan 8.250 nan 0.000 0.458 716 R N -0.241 120.243 120.500 -0.027 0.000 2.629 716 R HA 0.193 4.626 4.340 0.155 0.000 0.277 716 R C -0.494 175.814 176.300 0.013 0.000 1.637 716 R CA -0.289 55.814 56.100 0.004 0.000 1.663 716 R CB 0.988 31.305 30.300 0.029 0.000 1.228 716 R HN -0.009 nan 8.270 nan 0.000 0.632 717 G N 2.158 110.961 108.800 0.005 0.000 2.862 717 G HA2 -0.231 3.822 3.960 0.155 0.000 0.303 717 G HA3 -0.231 3.822 3.960 0.155 0.000 0.303 717 G C -0.228 174.686 174.900 0.024 0.000 0.335 717 G CA 0.270 45.376 45.100 0.010 0.000 1.186 717 G HN 0.440 nan 8.290 nan 0.000 0.190 718 R N 3.268 123.786 120.500 0.030 0.000 2.740 718 R HA 0.436 4.869 4.340 0.155 0.000 0.273 718 R C -2.466 173.857 176.300 0.038 0.000 0.998 718 R CA -1.886 54.243 56.100 0.048 0.000 0.900 718 R CB 2.692 33.047 30.300 0.091 0.000 1.223 718 R HN 0.365 nan 8.270 nan 0.000 0.466 719 P HA 0.023 nan 4.420 nan 0.000 0.267 719 P C -0.644 176.670 177.300 0.024 0.000 1.205 719 P CA 0.038 63.155 63.100 0.028 0.000 0.765 719 P CB 0.607 32.325 31.700 0.030 0.000 0.828 720 L N 3.246 124.481 121.223 0.020 0.000 2.485 720 L HA 0.076 4.509 4.340 0.155 0.000 0.279 720 L C 1.697 178.566 176.870 -0.003 0.000 1.124 720 L CA 0.278 55.129 54.840 0.018 0.000 0.888 720 L CB -0.019 42.059 42.059 0.033 0.000 1.217 720 L HN 0.359 nan 8.230 nan 0.000 0.464 721 Q N 1.932 121.680 119.800 -0.087 0.000 2.319 721 Q HA 0.046 4.479 4.340 0.155 0.000 0.202 721 Q C -0.009 175.895 176.000 -0.160 0.000 0.896 721 Q CA 0.753 56.475 55.803 -0.136 0.000 0.942 721 Q CB 0.291 28.919 28.738 -0.183 0.000 1.083 721 Q HN 0.596 nan 8.270 nan 0.000 0.510 722 Y N -1.121 119.260 120.300 0.135 0.000 2.557 722 Y HA 0.260 4.904 4.550 0.156 0.000 0.247 722 Y C 1.326 177.282 175.900 0.093 0.000 1.164 722 Y CA -0.343 57.832 58.100 0.125 0.000 1.218 722 Y CB 0.695 39.226 38.460 0.118 0.000 1.210 722 Y HN 0.080 nan 8.280 nan 0.000 0.529 723 Q N 0.959 120.876 119.800 0.194 0.000 2.230 723 Q HA -0.048 4.386 4.340 0.155 0.000 0.202 723 Q C -0.034 176.041 176.000 0.125 0.000 0.963 723 Q CA 1.148 57.036 55.803 0.141 0.000 0.866 723 Q CB -0.295 28.496 28.738 0.087 0.000 0.931 723 Q HN 0.748 nan 8.270 nan 0.000 0.452 724 N N -0.098 118.666 118.700 0.108 0.000 2.765 724 N HA 0.301 5.135 4.740 0.155 0.000 0.277 724 N C -1.069 174.488 175.510 0.078 0.000 1.750 724 N CA -0.572 52.525 53.050 0.078 0.000 0.827 724 N CB 0.868 39.374 38.487 0.032 0.000 1.200 724 N HN -0.245 nan 8.380 nan 0.000 0.494 725 R N 0.154 120.732 120.500 0.131 0.000 1.272 725 R HA -0.065 4.369 4.340 0.155 0.000 0.419 725 R C -0.384 175.963 176.300 0.077 0.000 1.318 725 R CA 0.886 57.051 56.100 0.108 0.000 1.012 725 R CB -1.266 29.062 30.300 0.047 0.000 3.123 725 R HN 0.919 nan 8.270 nan 0.000 0.502 726 G N 0.647 109.516 108.800 0.115 0.000 2.450 726 G HA2 0.564 4.617 3.960 0.155 0.000 0.273 726 G HA3 0.564 4.617 3.960 0.155 0.000 0.273 726 G C -1.466 173.562 174.900 0.214 0.000 1.221 726 G CA 0.175 45.319 45.100 0.074 0.000 0.900 726 G HN 0.582 nan 8.290 nan 0.000 0.483 727 T N 0.468 115.260 114.554 0.397 0.000 2.881 727 T HA 0.688 5.131 4.350 0.155 0.000 0.290 727 T C -0.841 174.150 174.700 0.484 0.000 1.000 727 T CA -0.291 62.043 62.100 0.391 0.000 0.978 727 T CB 1.897 71.012 68.868 0.411 0.000 0.997 727 T HN 0.708 nan 8.240 nan 0.000 0.443 728 I N 2.757 123.531 120.570 0.339 0.000 2.686 728 I HA 0.551 4.814 4.170 0.155 0.000 0.295 728 I C -1.335 174.964 176.117 0.303 0.000 1.114 728 I CA -1.156 60.341 61.300 0.327 0.000 1.038 728 I CB 2.135 40.113 38.000 -0.038 0.000 1.238 728 I HN 0.708 nan 8.210 nan 0.000 0.420 729 K N 6.736 127.305 120.400 0.282 0.000 2.274 729 K HA 0.481 4.895 4.320 0.155 0.000 0.262 729 K C -1.636 175.144 176.600 0.300 0.000 0.961 729 K CA -0.631 55.802 56.287 0.243 0.000 0.833 729 K CB 1.583 34.157 32.500 0.123 0.000 1.102 729 K HN 0.544 nan 8.250 nan 0.000 0.436 730 Y N -0.627 119.786 120.300 0.188 0.000 2.631 730 Y HA 0.778 5.421 4.550 0.155 0.000 0.328 730 Y C -0.592 175.482 175.900 0.289 0.000 1.118 730 Y CA -1.573 56.635 58.100 0.179 0.000 1.206 730 Y CB 1.176 39.711 38.460 0.124 0.000 1.337 730 Y HN 0.184 nan 8.280 nan 0.000 0.515 731 V N 0.725 120.840 119.914 0.335 0.000 3.001 731 V HA 0.234 4.447 4.120 0.155 0.000 0.314 731 V C -1.296 175.098 176.094 0.500 0.000 1.099 731 V CA -0.949 61.553 62.300 0.337 0.000 0.989 731 V CB 2.341 34.303 31.823 0.231 0.000 1.040 731 V HN 0.865 nan 8.190 nan 0.000 0.434 732 W N 3.428 124.983 121.300 0.426 0.000 2.478 732 W HA 0.632 5.385 4.660 0.155 0.000 0.318 732 W C -0.124 176.586 176.519 0.318 0.000 1.062 732 W CA -0.194 57.390 57.345 0.398 0.000 1.210 732 W CB 1.847 31.651 29.460 0.572 0.000 1.325 732 W HN 0.818 nan 8.180 nan 0.000 0.496 733 T N 0.510 115.226 114.554 0.270 0.000 2.762 733 T HA 0.224 4.667 4.350 0.155 0.000 0.272 733 T C 0.755 175.581 174.700 0.210 0.000 0.982 733 T CA -0.312 61.923 62.100 0.224 0.000 1.013 733 T CB 1.621 70.532 68.868 0.072 0.000 1.309 733 T HN 0.262 nan 8.240 nan 0.000 0.572 734 T N 0.581 115.204 114.554 0.115 0.000 2.821 734 T HA -0.013 4.431 4.350 0.155 0.000 0.267 734 T C 1.061 175.789 174.700 0.047 0.000 1.046 734 T CA 1.282 63.440 62.100 0.096 0.000 1.139 734 T CB -0.684 68.209 68.868 0.041 0.000 0.871 734 T HN 0.544 nan 8.240 nan 0.000 0.454 735 N N 0.756 119.445 118.700 -0.019 0.000 2.279 735 N HA 0.411 5.244 4.740 0.155 0.000 0.226 735 N C 0.267 175.682 175.510 -0.158 0.000 1.126 735 N CA 0.385 53.397 53.050 -0.063 0.000 0.846 735 N CB 0.759 39.214 38.487 -0.053 0.000 1.050 735 N HN 0.539 nan 8.380 nan 0.000 0.502 736 G N 0.062 108.695 108.800 -0.279 0.000 2.423 736 G HA2 -0.121 3.932 3.960 0.155 0.000 0.684 736 G HA3 -0.121 3.932 3.960 0.155 0.000 0.684 736 G C -3.151 171.287 174.900 -0.769 0.000 1.309 736 G CA -1.278 43.454 45.100 -0.613 0.000 0.950 736 G HN -0.102 nan 8.290 nan 0.000 0.587 737 P HA 0.289 nan 4.420 nan 0.000 0.264 737 P C -0.372 176.792 177.300 -0.227 0.000 1.183 737 P CA 0.681 63.448 63.100 -0.556 0.000 0.763 737 P CB 0.511 31.871 31.700 -0.567 0.000 0.807 738 E N 3.608 123.811 120.200 0.006 0.000 2.366 738 E HA 0.350 4.794 4.350 0.155 0.000 0.278 738 E C -2.756 173.937 176.600 0.154 0.000 0.923 738 E CA -2.431 53.994 56.400 0.041 0.000 0.761 738 E CB 1.622 31.338 29.700 0.027 0.000 1.231 738 E HN 0.204 nan 8.360 nan 0.000 0.443 739 P HA 0.017 nan 4.420 nan 0.000 0.270 739 P C 0.537 177.936 177.300 0.166 0.000 1.223 739 P CA -0.090 63.131 63.100 0.201 0.000 0.785 739 P CB 0.778 32.632 31.700 0.257 0.000 0.923 740 L N 1.626 122.936 121.223 0.144 0.000 2.056 740 L HA -0.165 4.268 4.340 0.155 0.000 0.207 740 L C 0.941 177.819 176.870 0.014 0.000 1.078 740 L CA 2.076 56.960 54.840 0.074 0.000 0.749 740 L CB -0.347 41.741 42.059 0.049 0.000 0.901 740 L HN 0.269 nan 8.230 nan 0.000 0.433 741 D N -1.356 119.017 120.400 -0.044 0.000 2.213 741 D HA -0.136 4.597 4.640 0.155 0.000 0.205 741 D C 0.911 177.075 176.300 -0.227 0.000 0.961 741 D CA 1.106 54.977 54.000 -0.215 0.000 0.853 741 D CB 0.071 40.618 40.800 -0.423 0.000 0.967 741 D HN 0.357 nan 8.370 nan 0.000 0.496 742 Y N 0.822 121.163 120.300 0.068 0.000 2.524 742 Y HA 0.191 4.834 4.550 0.155 0.000 0.266 742 Y C 0.597 176.521 175.900 0.040 0.000 1.180 742 Y CA -0.433 57.699 58.100 0.053 0.000 1.244 742 Y CB -0.334 38.165 38.460 0.065 0.000 1.125 742 Y HN -0.069 nan 8.280 nan 0.000 0.524 743 Q N 2.277 122.171 119.800 0.157 0.000 2.314 743 Q HA 0.151 4.584 4.340 0.155 0.000 0.258 743 Q C 0.771 176.818 176.000 0.077 0.000 0.954 743 Q CA -0.126 55.741 55.803 0.107 0.000 0.890 743 Q CB 0.933 29.727 28.738 0.093 0.000 1.210 743 Q HN 0.649 nan 8.270 nan 0.000 0.410 744 R N 0.806 121.339 120.500 0.055 0.000 2.492 744 R HA 0.231 4.664 4.340 0.155 0.000 0.219 744 R C 0.033 176.346 176.300 0.023 0.000 0.886 744 R CA 0.016 56.139 56.100 0.038 0.000 1.003 744 R CB 0.021 30.342 30.300 0.035 0.000 1.345 744 R HN 0.513 nan 8.270 nan 0.000 0.631 745 S N 4.028 119.737 115.700 0.015 0.000 2.569 745 S HA 0.158 4.721 4.470 0.155 0.000 0.274 745 S C -2.135 172.473 174.600 0.013 0.000 1.353 745 S CA -0.977 57.227 58.200 0.006 0.000 1.023 745 S CB 0.287 63.484 63.200 -0.005 0.000 0.876 745 S HN 0.214 nan 8.310 nan 0.000 0.540 746 P HA 0.123 nan 4.420 nan 0.000 0.269 746 P C -0.577 176.714 177.300 -0.016 0.000 1.209 746 P CA -0.367 62.717 63.100 -0.028 0.000 0.776 746 P CB 0.398 32.066 31.700 -0.053 0.000 0.876 747 L N 2.594 123.789 121.223 -0.047 0.000 2.485 747 L HA 0.074 4.507 4.340 0.155 0.000 0.275 747 L C 1.158 177.966 176.870 -0.103 0.000 1.207 747 L CA 0.632 55.481 54.840 0.015 0.000 0.855 747 L CB -0.143 41.934 42.059 0.030 0.000 1.114 747 L HN 0.439 nan 8.230 nan 0.000 0.485 748 D N 1.988 122.511 120.400 0.205 0.000 2.460 748 D HA 0.100 4.833 4.640 0.155 0.000 0.232 748 D C 0.255 176.806 176.300 0.418 0.000 1.079 748 D CA -0.347 53.770 54.000 0.194 0.000 0.864 748 D CB 0.687 41.690 40.800 0.338 0.000 1.048 748 D HN 0.266 nan 8.370 nan 0.000 0.523 749 Y N 1.822 122.274 120.300 0.253 0.000 2.516 749 Y HA 0.004 4.647 4.550 0.155 0.000 0.291 749 Y C 1.890 177.905 175.900 0.192 0.000 1.131 749 Y CA 0.307 58.557 58.100 0.249 0.000 1.281 749 Y CB -0.149 38.362 38.460 0.086 0.000 1.013 749 Y HN 0.478 nan 8.280 nan 0.000 0.554 750 E N -0.857 119.510 120.200 0.279 0.000 2.208 750 E HA -0.187 4.256 4.350 0.155 0.000 0.193 750 E C 1.928 178.592 176.600 0.107 0.000 0.988 750 E CA 0.951 57.446 56.400 0.158 0.000 0.828 750 E CB -0.457 29.304 29.700 0.102 0.000 0.763 750 E HN 0.527 nan 8.360 nan 0.000 0.478 751 H N 1.077 120.101 119.070 -0.075 0.000 2.267 751 H HA -0.172 4.478 4.556 0.155 0.000 0.297 751 H C 1.680 176.752 175.328 -0.426 0.000 1.080 751 H CA 1.772 57.571 56.048 -0.415 0.000 1.278 751 H CB -0.736 28.578 29.762 -0.747 0.000 1.365 751 H HN 0.154 nan 8.280 nan 0.000 0.489 752 Y N 0.124 120.356 120.300 -0.114 0.000 2.128 752 Y HA -0.176 4.467 4.550 0.155 0.000 0.284 752 Y C 2.877 178.708 175.900 -0.115 0.000 1.154 752 Y CA 1.309 59.280 58.100 -0.215 0.000 1.149 752 Y CB -0.829 37.496 38.460 -0.225 0.000 0.976 752 Y HN 0.265 nan 8.280 nan 0.000 0.505 753 L N -0.036 121.246 121.223 0.097 0.000 1.989 753 L HA -0.214 4.219 4.340 0.155 0.000 0.211 753 L C 2.122 179.014 176.870 0.036 0.000 1.071 753 L CA 2.707 57.568 54.840 0.035 0.000 0.749 753 L CB -1.232 40.863 42.059 0.060 0.000 0.890 753 L HN 0.291 nan 8.230 nan 0.000 0.431 754 T N -1.960 112.613 114.554 0.032 0.000 2.851 754 T HA -0.063 4.380 4.350 0.155 0.000 0.262 754 T C 2.036 176.731 174.700 -0.008 0.000 1.043 754 T CA 1.023 63.132 62.100 0.014 0.000 1.140 754 T CB -0.264 68.589 68.868 -0.024 0.000 0.872 754 T HN 0.140 nan 8.240 nan 0.000 0.446 755 R N 0.928 121.404 120.500 -0.039 0.000 2.062 755 R HA 0.111 4.544 4.340 0.155 0.000 0.229 755 R C 2.592 178.831 176.300 -0.101 0.000 1.128 755 R CA 1.370 57.419 56.100 -0.085 0.000 0.960 755 R CB -0.190 30.122 30.300 0.021 0.000 0.855 755 R HN 0.371 nan 8.270 nan 0.000 0.432 756 Q N -1.370 118.387 119.800 -0.071 0.000 2.499 756 Q HA 0.125 4.559 4.340 0.155 0.000 0.213 756 Q C 1.895 178.009 176.000 0.191 0.000 0.929 756 Q CA 0.428 56.244 55.803 0.022 0.000 0.904 756 Q CB -0.205 28.519 28.738 -0.023 0.000 1.052 756 Q HN 0.153 nan 8.270 nan 0.000 0.589 757 L N 1.579 122.827 121.223 0.042 0.000 2.072 757 L HA -0.112 4.321 4.340 0.155 0.000 0.205 757 L C 2.542 179.506 176.870 0.157 0.000 1.079 757 L CA 1.639 56.456 54.840 -0.039 0.000 0.752 757 L CB -1.059 40.787 42.059 -0.355 0.000 0.906 757 L HN 0.227 nan 8.230 nan 0.000 0.436 758 Q N 0.153 120.025 119.800 0.121 0.000 2.029 758 Q HA -0.183 4.250 4.340 0.155 0.000 0.209 758 Q C -0.687 175.440 176.000 0.211 0.000 0.999 758 Q CA 2.732 58.636 55.803 0.169 0.000 0.857 758 Q CB -1.159 27.657 28.738 0.131 0.000 0.926 758 Q HN 0.311 nan 8.270 nan 0.000 0.415 759 P HA -0.157 nan 4.420 nan 0.000 0.216 759 P C 1.477 178.924 177.300 0.245 0.000 1.153 759 P CA 2.135 65.374 63.100 0.232 0.000 0.848 759 P CB -0.421 31.444 31.700 0.274 0.000 0.787 760 V N -1.451 118.641 119.914 0.297 0.000 2.490 760 V HA -0.144 4.069 4.120 0.155 0.000 0.250 760 V C 2.506 178.752 176.094 0.253 0.000 1.061 760 V CA 2.077 64.511 62.300 0.223 0.000 1.064 760 V CB -2.112 29.861 31.823 0.250 0.000 0.670 760 V HN 0.051 nan 8.190 nan 0.000 0.461 761 A N 0.005 123.021 122.820 0.327 0.000 1.968 761 A HA -0.110 4.303 4.320 0.155 0.000 0.217 761 A C 2.140 179.830 177.584 0.176 0.000 1.169 761 A CA 1.523 53.723 52.037 0.272 0.000 0.638 761 A CB -0.576 18.653 19.000 0.382 0.000 0.812 761 A HN 0.620 nan 8.150 nan 0.000 0.446 762 E N -0.379 119.931 120.200 0.183 0.000 2.153 762 E HA -0.086 4.357 4.350 0.155 0.000 0.194 762 E C 1.976 178.650 176.600 0.123 0.000 0.988 762 E CA 1.058 57.541 56.400 0.139 0.000 0.811 762 E CB -0.355 29.427 29.700 0.137 0.000 0.746 762 E HN 0.556 nan 8.360 nan 0.000 0.466 763 G N 0.383 109.269 108.800 0.145 0.000 2.432 763 G HA2 -0.214 3.839 3.960 0.155 0.000 0.219 763 G HA3 -0.214 3.839 3.960 0.155 0.000 0.219 763 G C 1.524 176.531 174.900 0.179 0.000 1.135 763 G CA 0.756 45.950 45.100 0.157 0.000 0.767 763 G HN 0.380 nan 8.290 nan 0.000 0.550 764 I N -1.415 119.194 120.570 0.065 0.000 4.312 764 I HA 0.274 4.537 4.170 0.155 0.000 0.324 764 I C 1.874 178.011 176.117 0.033 0.000 1.298 764 I CA -0.053 61.219 61.300 -0.046 0.000 1.231 764 I CB 0.375 38.050 38.000 -0.542 0.000 1.152 764 I HN -0.031 nan 8.210 nan 0.000 0.421 765 L N 2.274 123.482 121.223 -0.026 0.000 2.141 765 L HA 0.021 4.454 4.340 0.155 0.000 0.209 765 L C -0.696 176.136 176.870 -0.064 0.000 1.094 765 L CA 2.023 56.822 54.840 -0.068 0.000 0.763 765 L CB -1.925 40.128 42.059 -0.009 0.000 0.908 765 L HN 0.137 nan 8.230 nan 0.000 0.437 766 P HA -0.202 nan 4.420 nan 0.000 0.217 766 P C 1.607 178.654 177.300 -0.422 0.000 1.151 766 P CA 1.694 64.590 63.100 -0.341 0.000 0.849 766 P CB -0.103 31.262 31.700 -0.558 0.000 0.787 767 F N -1.416 118.461 119.950 -0.123 0.000 2.187 767 F HA 0.016 4.637 4.527 0.155 0.000 0.295 767 F C 2.409 178.124 175.800 -0.141 0.000 1.091 767 F CA 0.589 58.501 58.000 -0.148 0.000 1.308 767 F CB -1.244 37.632 39.000 -0.208 0.000 1.030 767 F HN -0.204 nan 8.300 nan 0.000 0.487 768 I N -0.386 120.196 120.570 0.021 0.000 2.676 768 I HA -0.111 4.152 4.170 0.155 0.000 0.259 768 I C -0.393 175.725 176.117 0.002 0.000 1.194 768 I CA 1.068 62.352 61.300 -0.026 0.000 1.473 768 I CB 0.234 38.155 38.000 -0.132 0.000 1.096 768 I HN 0.193 nan 8.210 nan 0.000 0.443 769 E N 0.865 121.051 120.200 -0.022 0.000 6.277 769 E HA 0.031 4.474 4.350 0.155 0.000 0.460 769 E C -0.999 175.560 176.600 -0.067 0.000 0.908 769 E CA 0.094 56.464 56.400 -0.050 0.000 2.461 769 E CB -0.456 29.217 29.700 -0.044 0.000 0.852 769 E HN 0.385 nan 8.360 nan 0.000 0.342 770 D N 1.269 121.594 120.400 -0.124 0.000 10.807 770 D HA -0.137 4.596 4.640 0.155 0.000 0.359 770 D C 0.205 176.502 176.300 -0.005 0.000 3.110 770 D CA 1.369 55.261 54.000 -0.180 0.000 2.589 770 D CB -0.177 40.346 40.800 -0.463 0.000 1.188 770 D HN 0.540 nan 8.370 nan 0.000 0.949 771 N N 0.199 119.022 118.700 0.204 0.000 2.181 771 N HA 0.090 4.923 4.740 0.155 0.000 0.207 771 N C 1.631 177.396 175.510 0.425 0.000 1.182 771 N CA 0.043 53.275 53.050 0.302 0.000 0.893 771 N CB -0.232 38.428 38.487 0.289 0.000 1.032 771 N HN 0.489 nan 8.380 nan 0.000 0.513 772 F N 1.117 121.072 119.950 0.008 0.000 2.161 772 F HA -0.006 4.615 4.527 0.155 0.000 0.300 772 F C 1.934 177.699 175.800 -0.058 0.000 1.089 772 F CA 1.031 59.024 58.000 -0.011 0.000 1.282 772 F CB 0.153 39.149 39.000 -0.007 0.000 1.010 772 F HN 0.294 nan 8.300 nan 0.000 0.485 773 A N -1.263 121.639 122.820 0.136 0.000 2.373 773 A HA 0.157 4.570 4.320 0.155 0.000 0.190 773 A C 0.166 177.776 177.584 0.043 0.000 1.544 773 A CA 0.089 52.189 52.037 0.105 0.000 1.699 773 A CB -0.070 18.998 19.000 0.113 0.000 1.614 773 A HN 0.010 nan 8.150 nan 0.000 0.667 774 T N 1.126 115.710 114.554 0.049 0.000 2.890 774 T HA 0.618 5.061 4.350 0.155 0.000 0.295 774 T C -1.318 173.369 174.700 -0.022 0.000 0.993 774 T CA -0.040 62.084 62.100 0.040 0.000 0.979 774 T CB 1.592 70.543 68.868 0.137 0.000 0.967 774 T HN 0.367 nan 8.240 nan 0.000 0.441 775 L N 3.820 124.991 121.223 -0.086 0.000 2.282 775 L HA 0.520 4.953 4.340 0.155 0.000 0.288 775 L C 0.682 177.442 176.870 -0.183 0.000 1.033 775 L CA -0.325 54.373 54.840 -0.238 0.000 0.807 775 L CB 1.012 42.919 42.059 -0.254 0.000 1.209 775 L HN 0.691 nan 8.230 nan 0.000 0.423 776 M N 3.043 122.508 119.600 -0.225 0.000 2.637 776 M HA 0.132 4.705 4.480 0.155 0.000 0.286 776 M C 0.512 176.823 176.300 0.019 0.000 1.246 776 M CA -0.239 55.041 55.300 -0.033 0.000 0.978 776 M CB -0.582 32.079 32.600 0.102 0.000 1.417 776 M HN 0.695 nan 8.290 nan 0.000 0.487 777 T N -0.524 113.984 114.554 -0.076 0.000 2.939 777 T HA 0.375 4.818 4.350 0.155 0.000 0.319 777 T C 0.474 175.210 174.700 0.059 0.000 1.082 777 T CA -0.064 62.066 62.100 0.050 0.000 1.133 777 T CB 1.110 69.969 68.868 -0.015 0.000 1.019 777 T HN 0.508 nan 8.240 nan 0.000 0.548 778 G N 0.942 109.797 108.800 0.091 0.000 2.731 778 G HA2 0.493 4.546 3.960 0.155 0.000 0.298 778 G HA3 0.493 4.546 3.960 0.155 0.000 0.298 778 G C -0.207 174.737 174.900 0.074 0.000 1.424 778 G CA 0.084 45.225 45.100 0.068 0.000 1.029 778 G HN 1.058 nan 8.290 nan 0.000 0.518 779 Q N -0.051 119.787 119.800 0.063 0.000 2.234 779 Q HA -0.254 4.180 4.340 0.155 0.000 0.178 779 Q C 0.738 176.769 176.000 0.051 0.000 2.907 779 Q CA 2.003 57.846 55.803 0.067 0.000 0.208 779 Q CB -1.316 27.479 28.738 0.095 0.000 0.209 779 Q HN 0.526 nan 8.270 nan 0.000 0.389 780 L N -0.282 120.974 121.223 0.054 0.000 2.769 780 L HA 0.414 4.847 4.340 0.155 0.000 0.240 780 L C 1.458 178.355 176.870 0.045 0.000 1.163 780 L CA 1.599 56.465 54.840 0.043 0.000 0.962 780 L CB -0.110 41.974 42.059 0.041 0.000 1.258 780 L HN 0.754 nan 8.230 nan 0.000 0.513 781 G N 0.294 109.124 108.800 0.050 0.000 2.184 781 G HA2 -0.300 3.753 3.960 0.155 0.000 0.264 781 G HA3 -0.300 3.753 3.960 0.155 0.000 0.264 781 G C 0.320 175.268 174.900 0.079 0.000 0.975 781 G CA 0.175 45.304 45.100 0.049 0.000 0.642 781 G HN 0.258 nan 8.290 nan 0.000 0.536 782 L N -0.070 121.210 121.223 0.094 0.000 2.426 782 L HA 0.732 5.165 4.340 0.155 0.000 0.271 782 L C 0.463 177.475 176.870 0.237 0.000 1.169 782 L CA 0.092 55.009 54.840 0.127 0.000 0.836 782 L CB 0.517 42.627 42.059 0.085 0.000 1.112 782 L HN 0.160 nan 8.230 nan 0.000 0.465 783 F N 0.000 119.956 119.950 0.010 0.000 2.286 783 F HA 0.000 4.620 4.527 0.155 0.000 0.279 783 F CA 0.000 58.007 58.000 0.011 0.000 1.383 783 F CB 0.000 39.007 39.000 0.011 0.000 1.145 783 F HN 0.000 nan 8.300 nan 0.000 0.574