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 1l1y_1_F DATA FIRST_RESID 28 DATA SEQUENCE GPTKAPTKDG TSYKDLFLEL YGKIKDPKNG YFSPDEGIPY HSIETLIVEA DATA SEQUENCE PDYGHVTTSE AFSYYVWLEA MYGNLTGNWS GVETAWKVME DWIIPDSTEQ DATA SEQUENCE PGMSSYNPNS PATYADEYED PSYYPSELKF DTVRVGSDPV HNDLVSAYGP DATA SEQUENCE NMYLMHWLMD VDNWYGFGTG TRATFINTFQ RGEQESTWET IPHPSIEEFK DATA SEQUENCE YGGPNGFLDL FTKDRSYAKQ WRYTNAPDAE GRAIQAVYWA NKWAKEQGKG DATA SEQUENCE SAVASVVSKA AKMGDFLRND MFDKYFMKIG AQDKTPATGY DSAHYLMAWY DATA SEQUENCE TAWGGGIGAS WAWKIGCSHA HFGYQNPFQG WVSATQSDFA PKSSNGKRDW DATA SEQUENCE TTSYKRQLEF YQWLQSAEGG IAGGATNSWN GRYEKYPAGT STFYGMAYVP DATA SEQUENCE HPVYADPGSN QWFGFQAWSM QRVMEYYLET GDSSVKNLIK KWVDWVMSEI DATA SEQUENCE KLYDDGTFAI PSDLEWSGQP DTWTGTYTGN PNLHVRVTSY GTDLGVAGSL DATA SEQUENCE ANALATYAAA TERWEGKLDT KARDMAAELV NRAWYNFYCS EGKGVVTEEA DATA SEQUENCE RADYKRFFEQ EVYVPAGWSG TMPNGDKIQP GIKFIDIRTK YRQDPYYDIV DATA SEQUENCE YQAYLRGEAP VLNYHRFWHE VDLAVAMGVL ATYFPDMTYK VP 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 28 G C 0.000 174.865 174.900 -0.058 0.000 0.946 28 G CA 0.000 45.070 45.100 -0.050 0.000 0.502 29 P HA 0.375 nan 4.420 nan 0.000 0.269 29 P C -0.026 177.175 177.300 -0.166 0.000 1.209 29 P CA 0.248 63.279 63.100 -0.115 0.000 0.776 29 P CB 1.177 32.762 31.700 -0.192 0.000 0.876 30 T N -0.999 113.461 114.554 -0.156 0.000 2.838 30 T HA 0.441 4.792 4.350 0.002 0.000 0.292 30 T C -0.337 174.214 174.700 -0.248 0.000 1.113 30 T CA -1.148 60.856 62.100 -0.161 0.000 1.008 30 T CB 1.193 70.025 68.868 -0.060 0.000 1.259 30 T HN 0.087 nan 8.240 nan 0.000 0.520 31 K N 1.219 121.419 120.400 -0.333 0.000 2.322 31 K HA 0.586 4.908 4.320 0.002 0.000 0.283 31 K C 0.438 176.751 176.600 -0.477 0.000 1.042 31 K CA -0.347 55.586 56.287 -0.591 0.000 0.958 31 K CB 0.754 32.888 32.500 -0.609 0.000 0.984 31 K HN 0.903 nan 8.250 nan 0.000 0.473 32 A N 5.251 127.741 122.820 -0.549 0.000 2.540 32 A HA 0.130 4.452 4.320 0.002 0.000 0.239 32 A C -1.106 176.241 177.584 -0.395 0.000 1.061 32 A CA -0.693 50.896 52.037 -0.748 0.000 0.758 32 A CB -0.124 18.514 19.000 -0.603 0.000 0.991 32 A HN 0.493 nan 8.150 nan 0.000 0.502 33 P HA 0.018 nan 4.420 nan 0.000 0.245 33 P C 0.306 177.578 177.300 -0.046 0.000 1.206 33 P CA 0.344 63.322 63.100 -0.203 0.000 0.781 33 P CB -0.319 31.249 31.700 -0.219 0.000 0.994 34 T N 1.219 115.763 114.554 -0.015 0.000 2.933 34 T HA 0.254 4.605 4.350 0.002 0.000 0.306 34 T C 0.685 175.509 174.700 0.207 0.000 1.045 34 T CA 0.480 62.639 62.100 0.097 0.000 1.143 34 T CB 0.053 68.958 68.868 0.060 0.000 1.003 34 T HN 0.234 nan 8.240 nan 0.000 0.540 35 K N 2.248 122.741 120.400 0.155 0.000 2.143 35 K HA 0.336 4.657 4.320 0.002 0.000 0.272 35 K C 0.032 176.746 176.600 0.190 0.000 1.001 35 K CA -0.923 55.452 56.287 0.146 0.000 0.915 35 K CB 0.264 32.808 32.500 0.072 0.000 1.047 35 K HN 0.715 nan 8.250 nan 0.000 0.458 36 D N 0.894 121.361 120.400 0.111 0.000 2.571 36 D HA 0.273 4.914 4.640 0.002 0.000 0.231 36 D C 1.418 177.731 176.300 0.022 0.000 1.133 36 D CA 2.326 56.340 54.000 0.023 0.000 0.862 36 D CB 0.587 41.361 40.800 -0.043 0.000 1.179 36 D HN 1.034 nan 8.370 nan 0.000 0.474 37 G N 1.569 110.363 108.800 -0.011 0.000 2.176 37 G HA2 -0.279 3.682 3.960 0.002 0.000 0.253 37 G HA3 -0.279 3.682 3.960 0.002 0.000 0.253 37 G C 0.538 175.419 174.900 -0.031 0.000 0.979 37 G CA 0.334 45.417 45.100 -0.028 0.000 0.641 37 G HN 0.609 nan 8.290 nan 0.000 0.530 38 T N 2.333 116.889 114.554 0.003 0.000 2.834 38 T HA 0.481 4.832 4.350 0.002 0.000 0.298 38 T C 1.048 175.646 174.700 -0.170 0.000 0.966 38 T CA 0.590 62.658 62.100 -0.053 0.000 1.141 38 T CB 1.157 70.000 68.868 -0.042 0.000 0.905 38 T HN 1.202 nan 8.240 nan 0.000 0.535 39 S N 3.253 118.861 115.700 -0.154 0.000 2.579 39 S HA 0.124 4.595 4.470 0.002 0.000 0.275 39 S C 0.771 175.237 174.600 -0.223 0.000 1.345 39 S CA -0.500 57.593 58.200 -0.179 0.000 1.031 39 S CB 0.243 63.397 63.200 -0.077 0.000 0.892 39 S HN 0.582 nan 8.310 nan 0.000 0.529 40 Y N 1.407 121.694 120.300 -0.021 0.000 2.352 40 Y HA 0.004 4.555 4.550 0.002 0.000 0.292 40 Y C 2.458 178.333 175.900 -0.043 0.000 1.136 40 Y CA 1.354 59.427 58.100 -0.044 0.000 1.227 40 Y CB -0.438 38.012 38.460 -0.017 0.000 0.991 40 Y HN 0.809 nan 8.280 nan 0.000 0.545 41 K N 0.383 120.823 120.400 0.068 0.000 2.063 41 K HA -0.203 4.118 4.320 0.002 0.000 0.208 41 K C 1.303 177.937 176.600 0.057 0.000 1.048 41 K CA 2.055 58.357 56.287 0.025 0.000 0.928 41 K CB -0.123 32.348 32.500 -0.048 0.000 0.713 41 K HN 0.162 nan 8.250 nan 0.000 0.442 42 D N 0.760 121.153 120.400 -0.011 0.000 2.149 42 D HA -0.098 4.543 4.640 0.002 0.000 0.201 42 D C 2.004 178.260 176.300 -0.073 0.000 0.972 42 D CA 0.748 54.730 54.000 -0.029 0.000 0.835 42 D CB -0.016 40.754 40.800 -0.051 0.000 0.966 42 D HN 0.234 nan 8.370 nan 0.000 0.476 43 L N -0.096 121.035 121.223 -0.154 0.000 2.046 43 L HA -0.156 4.186 4.340 0.002 0.000 0.208 43 L C 2.362 179.093 176.870 -0.233 0.000 1.077 43 L CA 0.812 55.443 54.840 -0.348 0.000 0.747 43 L CB -0.378 41.370 42.059 -0.519 0.000 0.896 43 L HN 0.002 nan 8.230 nan 0.000 0.432 44 F N 0.800 120.653 119.950 -0.162 0.000 2.095 44 F HA -0.266 4.262 4.527 0.002 0.000 0.298 44 F C 2.223 178.023 175.800 0.001 0.000 1.104 44 F CA 1.649 59.599 58.000 -0.084 0.000 1.232 44 F CB -0.230 38.724 39.000 -0.076 0.000 0.987 44 F HN -0.116 nan 8.300 nan 0.000 0.475 45 L N 0.104 121.327 121.223 -0.000 0.000 2.083 45 L HA -0.218 4.123 4.340 0.002 0.000 0.209 45 L C 2.534 179.380 176.870 -0.039 0.000 1.083 45 L CA 1.806 56.635 54.840 -0.018 0.000 0.752 45 L CB -0.913 41.200 42.059 0.091 0.000 0.899 45 L HN 0.296 nan 8.230 nan 0.000 0.433 46 E N 0.674 120.843 120.200 -0.052 0.000 2.023 46 E HA -0.266 4.085 4.350 0.002 0.000 0.196 46 E C 2.393 178.992 176.600 -0.002 0.000 1.003 46 E CA 1.372 57.776 56.400 0.006 0.000 0.809 46 E CB -0.097 29.629 29.700 0.043 0.000 0.755 46 E HN 0.400 nan 8.360 nan 0.000 0.449 47 L N 0.176 121.349 121.223 -0.084 0.000 2.012 47 L HA -0.230 4.111 4.340 0.002 0.000 0.210 47 L C 2.550 179.319 176.870 -0.168 0.000 1.073 47 L CA 1.665 56.469 54.840 -0.061 0.000 0.748 47 L CB -0.445 41.560 42.059 -0.091 0.000 0.891 47 L HN 0.358 nan 8.230 nan 0.000 0.431 48 Y N 0.368 120.387 120.300 -0.469 0.000 2.081 48 Y HA -0.285 4.266 4.550 0.002 0.000 0.280 48 Y C 2.245 178.005 175.900 -0.233 0.000 1.163 48 Y CA 1.985 59.816 58.100 -0.449 0.000 1.135 48 Y CB -0.757 37.309 38.460 -0.657 0.000 0.970 48 Y HN 0.169 nan 8.280 nan 0.000 0.498 49 G N -0.092 108.682 108.800 -0.045 0.000 2.440 49 G HA2 -0.272 3.689 3.960 0.002 0.000 0.218 49 G HA3 -0.272 3.689 3.960 0.002 0.000 0.218 49 G C 1.638 176.482 174.900 -0.094 0.000 1.154 49 G CA 1.122 46.194 45.100 -0.048 0.000 0.767 49 G HN 0.423 nan 8.290 nan 0.000 0.552 50 K N -0.161 120.209 120.400 -0.051 0.000 2.103 50 K HA 0.111 4.433 4.320 0.002 0.000 0.204 50 K C 2.393 179.014 176.600 0.036 0.000 1.052 50 K CA 0.705 56.999 56.287 0.012 0.000 0.945 50 K CB -0.162 32.373 32.500 0.059 0.000 0.722 50 K HN 0.333 nan 8.250 nan 0.000 0.443 51 I N 1.188 121.674 120.570 -0.140 0.000 2.394 51 I HA -0.225 3.946 4.170 0.002 0.000 0.251 51 I C 1.797 177.933 176.117 0.032 0.000 1.136 51 I CA 1.091 62.230 61.300 -0.268 0.000 1.425 51 I CB -0.015 37.693 38.000 -0.487 0.000 1.079 51 I HN -0.013 nan 8.210 nan 0.000 0.425 52 K N 0.131 120.423 120.400 -0.180 0.000 2.404 52 K HA 0.075 4.396 4.320 0.002 0.000 0.194 52 K C 0.140 176.667 176.600 -0.122 0.000 1.023 52 K CA 0.179 56.328 56.287 -0.231 0.000 1.094 52 K CB -0.362 31.776 32.500 -0.602 0.000 0.841 52 K HN 0.145 nan 8.250 nan 0.000 0.523 53 D N 2.214 122.599 120.400 -0.025 0.000 2.339 53 D HA 0.054 4.696 4.640 0.002 0.000 0.256 53 D C -1.656 174.662 176.300 0.029 0.000 1.214 53 D CA -2.170 51.826 54.000 -0.006 0.000 0.877 53 D CB 1.512 42.318 40.800 0.010 0.000 1.111 53 D HN -0.130 nan 8.370 nan 0.000 0.478 54 P HA -0.166 nan 4.420 nan 0.000 0.218 54 P C 1.050 178.356 177.300 0.009 0.000 1.146 54 P CA 1.579 64.681 63.100 0.004 0.000 0.813 54 P CB 0.056 31.744 31.700 -0.019 0.000 0.778 55 K N -0.073 120.327 120.400 -0.001 0.000 2.288 55 K HA -0.081 4.240 4.320 0.002 0.000 0.201 55 K C 1.773 178.350 176.600 -0.039 0.000 1.048 55 K CA 1.299 57.577 56.287 -0.015 0.000 0.956 55 K CB -1.508 30.983 32.500 -0.015 0.000 0.746 55 K HN 0.182 nan 8.250 nan 0.000 0.461 56 N N -0.188 118.491 118.700 -0.035 0.000 2.396 56 N HA 0.004 4.745 4.740 0.002 0.000 0.180 56 N C 1.313 176.689 175.510 -0.223 0.000 1.028 56 N CA 1.176 54.149 53.050 -0.129 0.000 0.893 56 N CB 0.225 38.676 38.487 -0.059 0.000 0.967 56 N HN 0.651 nan 8.380 nan 0.000 0.440 57 G N 0.265 109.020 108.800 -0.075 0.000 2.198 57 G HA2 -0.311 3.650 3.960 0.002 0.000 0.257 57 G HA3 -0.311 3.650 3.960 0.002 0.000 0.257 57 G C 0.388 175.255 174.900 -0.056 0.000 1.042 57 G CA 0.274 45.350 45.100 -0.040 0.000 0.791 57 G HN 0.352 nan 8.290 nan 0.000 0.502 58 Y N -1.144 119.167 120.300 0.018 0.000 2.395 58 Y HA 0.377 4.928 4.550 0.002 0.000 0.293 58 Y C 1.466 177.066 175.900 -0.500 0.000 1.123 58 Y CA 0.873 58.888 58.100 -0.141 0.000 1.227 58 Y CB 0.102 38.488 38.460 -0.125 0.000 1.012 58 Y HN 0.338 nan 8.280 nan 0.000 0.552 59 F N -0.958 118.865 119.950 -0.212 0.000 2.538 59 F HA 0.363 4.891 4.527 0.002 0.000 0.325 59 F C 0.485 175.930 175.800 -0.591 0.000 1.066 59 F CA -1.868 55.799 58.000 -0.555 0.000 0.946 59 F CB 0.925 39.652 39.000 -0.455 0.000 1.199 59 F HN -0.376 nan 8.300 nan 0.000 0.473 60 S N 1.483 116.752 115.700 -0.718 0.000 2.562 60 S HA 0.171 4.642 4.470 0.002 0.000 0.281 60 S C -2.136 172.360 174.600 -0.174 0.000 1.333 60 S CA -0.852 57.059 58.200 -0.481 0.000 1.052 60 S CB 1.026 63.908 63.200 -0.530 0.000 0.884 60 S HN 0.396 nan 8.310 nan 0.000 0.506 61 P HA -0.017 nan 4.420 nan 0.000 0.216 61 P C 0.563 177.833 177.300 -0.050 0.000 1.153 61 P CA 1.003 64.084 63.100 -0.032 0.000 0.848 61 P CB 0.024 31.728 31.700 0.007 0.000 0.787 62 D N -1.117 119.243 120.400 -0.067 0.000 2.317 62 D HA -0.055 4.586 4.640 0.002 0.000 0.211 62 D C 1.206 177.457 176.300 -0.081 0.000 0.966 62 D CA 0.978 54.943 54.000 -0.060 0.000 0.876 62 D CB 0.031 40.793 40.800 -0.062 0.000 0.927 62 D HN 0.280 nan 8.370 nan 0.000 0.519 63 E N -1.644 118.458 120.200 -0.163 0.000 2.568 63 E HA 0.287 4.639 4.350 0.002 0.000 0.220 63 E C 1.095 177.642 176.600 -0.090 0.000 0.869 63 E CA 0.424 56.724 56.400 -0.167 0.000 1.268 63 E CB 1.062 30.410 29.700 -0.586 0.000 1.252 63 E HN 0.032 nan 8.360 nan 0.000 0.606 64 G N 1.631 110.349 108.800 -0.138 0.000 2.176 64 G HA2 -0.292 3.669 3.960 0.002 0.000 0.252 64 G HA3 -0.292 3.669 3.960 0.002 0.000 0.252 64 G C 0.020 174.879 174.900 -0.068 0.000 1.024 64 G CA 0.202 45.232 45.100 -0.117 0.000 0.755 64 G HN 0.231 nan 8.290 nan 0.000 0.507 65 I N 2.300 122.713 120.570 -0.262 0.000 2.395 65 I HA 0.278 4.449 4.170 0.002 0.000 0.289 65 I C -1.520 174.156 176.117 -0.736 0.000 1.023 65 I CA -2.393 58.665 61.300 -0.404 0.000 1.350 65 I CB 1.311 39.059 38.000 -0.419 0.000 1.409 65 I HN -0.072 nan 8.210 nan 0.000 0.507 66 P HA 0.056 nan 4.420 nan 0.000 0.276 66 P C -1.194 175.482 177.300 -1.041 0.000 1.235 66 P CA 0.056 62.226 63.100 -1.550 0.000 0.772 66 P CB 0.274 30.682 31.700 -2.153 0.000 0.871 67 Y N 1.083 120.961 120.300 -0.704 0.000 2.314 67 Y HA 0.057 4.608 4.550 0.002 0.000 0.334 67 Y C 2.446 178.204 175.900 -0.237 0.000 1.266 67 Y CA 0.232 58.083 58.100 -0.414 0.000 1.391 67 Y CB -0.141 38.044 38.460 -0.458 0.000 1.306 67 Y HN 0.506 nan 8.280 nan 0.000 0.558 68 H N 0.545 119.636 119.070 0.036 0.000 2.321 68 H HA -0.100 4.457 4.556 0.002 0.000 0.295 68 H C -0.017 175.367 175.328 0.093 0.000 1.102 68 H CA 1.435 57.531 56.048 0.081 0.000 1.266 68 H CB 0.184 29.981 29.762 0.058 0.000 1.363 68 H HN 0.508 nan 8.280 nan 0.000 0.492 69 S N -2.512 113.221 115.700 0.055 0.000 2.565 69 S HA 0.241 4.712 4.470 0.002 0.000 0.269 69 S C 0.886 175.527 174.600 0.069 0.000 1.153 69 S CA -0.353 57.854 58.200 0.010 0.000 0.835 69 S CB 0.400 63.534 63.200 -0.110 0.000 1.122 69 S HN 0.161 nan 8.310 nan 0.000 0.462 70 I N 0.802 121.384 120.570 0.021 0.000 2.118 70 I HA -0.178 3.993 4.170 0.002 0.000 0.241 70 I C 0.874 177.010 176.117 0.032 0.000 1.070 70 I CA 1.475 62.757 61.300 -0.031 0.000 1.327 70 I CB -0.455 37.392 38.000 -0.256 0.000 1.034 70 I HN 0.686 nan 8.210 nan 0.000 0.405 71 E N 0.620 120.829 120.200 0.015 0.000 2.398 71 E HA -0.018 4.334 4.350 0.002 0.000 0.263 71 E C 1.196 177.664 176.600 -0.220 0.000 1.046 71 E CA 0.566 56.950 56.400 -0.028 0.000 0.908 71 E CB 0.524 30.308 29.700 0.140 0.000 0.963 71 E HN 0.286 nan 8.360 nan 0.000 0.431 72 T N -0.270 114.083 114.554 -0.335 0.000 3.010 72 T HA 0.017 4.368 4.350 0.002 0.000 0.252 72 T C 0.687 175.211 174.700 -0.293 0.000 1.047 72 T CA -0.274 61.426 62.100 -0.668 0.000 1.140 72 T CB 0.104 68.543 68.868 -0.716 0.000 0.885 72 T HN 0.221 nan 8.240 nan 0.000 0.464 73 L N 2.197 123.456 121.223 0.060 0.000 2.312 73 L HA 0.714 5.055 4.340 0.002 0.000 0.287 73 L C -0.755 176.256 176.870 0.235 0.000 1.091 73 L CA -1.626 53.328 54.840 0.190 0.000 0.846 73 L CB -0.649 41.462 42.059 0.087 0.000 1.219 73 L HN 0.424 nan 8.230 nan 0.000 0.439 74 I N 4.667 125.331 120.570 0.157 0.000 2.710 74 I HA 0.529 4.700 4.170 0.002 0.000 0.290 74 I C -1.699 174.418 176.117 -0.001 0.000 1.318 74 I CA -0.459 60.902 61.300 0.101 0.000 1.045 74 I CB 2.203 40.077 38.000 -0.211 0.000 1.307 74 I HN 0.227 nan 8.210 nan 0.000 0.424 75 V N 7.647 127.536 119.914 -0.042 0.000 2.525 75 V HA 0.626 4.747 4.120 0.002 0.000 0.299 75 V C -0.268 175.729 176.094 -0.162 0.000 1.034 75 V CA -0.213 61.891 62.300 -0.328 0.000 0.863 75 V CB 1.401 32.557 31.823 -1.111 0.000 0.999 75 V HN 0.917 nan 8.190 nan 0.000 0.423 76 E N 4.270 124.364 120.200 -0.177 0.000 2.231 76 E HA 0.528 4.879 4.350 0.002 0.000 0.117 76 E C 1.306 177.867 176.600 -0.064 0.000 1.448 76 E CA -0.096 56.251 56.400 -0.088 0.000 0.904 76 E CB 0.629 30.314 29.700 -0.026 0.000 2.047 76 E HN 0.369 nan 8.360 nan 0.000 0.573 77 A N 1.020 123.845 122.820 0.008 0.000 1.859 77 A HA -0.001 4.320 4.320 0.002 0.000 0.217 77 A C -1.215 176.544 177.584 0.293 0.000 1.198 77 A CA 1.951 54.092 52.037 0.173 0.000 0.629 77 A CB -2.007 17.100 19.000 0.178 0.000 0.830 77 A HN 0.467 nan 8.150 nan 0.000 0.446 78 P HA 0.223 nan 4.420 nan 0.000 0.277 78 P C -1.190 176.082 177.300 -0.048 0.000 1.240 78 P CA 0.158 63.265 63.100 0.012 0.000 0.798 78 P CB 0.917 32.483 31.700 -0.223 0.000 0.979 79 D N -0.537 119.885 120.400 0.037 0.000 2.440 79 D HA 0.105 4.746 4.640 0.002 0.000 0.216 79 D C -0.492 175.951 176.300 0.238 0.000 1.150 79 D CA -0.241 53.803 54.000 0.074 0.000 0.832 79 D CB -0.474 40.416 40.800 0.150 0.000 0.992 79 D HN 0.326 nan 8.370 nan 0.000 0.502 80 Y N -0.506 119.772 120.300 -0.037 0.000 2.436 80 Y HA 0.490 5.041 4.550 0.002 0.000 0.327 80 Y C 0.962 176.765 175.900 -0.162 0.000 1.138 80 Y CA -0.910 57.069 58.100 -0.202 0.000 1.042 80 Y CB 1.904 40.028 38.460 -0.560 0.000 1.302 80 Y HN -0.156 nan 8.280 nan 0.000 0.439 81 G N 2.285 110.635 108.800 -0.750 0.000 2.484 81 G HA2 -0.118 3.843 3.960 0.002 0.000 0.218 81 G HA3 -0.118 3.843 3.960 0.002 0.000 0.218 81 G C 0.579 175.291 174.900 -0.313 0.000 1.130 81 G CA 0.463 45.325 45.100 -0.396 0.000 0.784 81 G HN 0.847 nan 8.290 nan 0.000 0.543 82 H N -0.286 118.162 119.070 -1.036 0.000 2.537 82 H HA 0.251 4.808 4.556 0.002 0.000 0.295 82 H C 0.952 176.282 175.328 0.003 0.000 1.054 82 H CA -0.711 54.979 56.048 -0.597 0.000 1.156 82 H CB 0.489 29.727 29.762 -0.872 0.000 1.468 82 H HN 0.257 nan 8.280 nan 0.000 0.551 83 V N -0.739 119.275 119.914 0.167 0.000 3.319 83 V HA 0.243 4.364 4.120 0.002 0.000 0.303 83 V C 0.566 176.753 176.094 0.155 0.000 1.094 83 V CA -0.366 62.049 62.300 0.192 0.000 1.106 83 V CB 1.833 33.731 31.823 0.124 0.000 1.099 83 V HN 0.075 nan 8.190 nan 0.000 0.476 84 T N 1.175 115.792 114.554 0.106 0.000 2.942 84 T HA 0.769 5.120 4.350 0.002 0.000 0.289 84 T C -0.298 174.468 174.700 0.111 0.000 1.044 84 T CA 0.256 62.404 62.100 0.080 0.000 1.023 84 T CB 1.479 70.365 68.868 0.031 0.000 1.123 84 T HN 1.483 nan 8.240 nan 0.000 0.512 85 T N -0.830 113.836 114.554 0.187 0.000 2.906 85 T HA 0.443 4.795 4.350 0.002 0.000 0.295 85 T C 1.426 176.354 174.700 0.379 0.000 1.075 85 T CA -0.063 62.177 62.100 0.233 0.000 1.005 85 T CB 1.288 70.333 68.868 0.295 0.000 1.136 85 T HN 0.567 nan 8.240 nan 0.000 0.498 86 S N 0.108 115.999 115.700 0.318 0.000 2.399 86 S HA -0.192 4.279 4.470 0.002 0.000 0.231 86 S C 1.663 176.433 174.600 0.284 0.000 1.022 86 S CA 1.282 59.649 58.200 0.279 0.000 0.983 86 S CB -0.765 62.524 63.200 0.148 0.000 0.803 86 S HN 0.878 nan 8.310 nan 0.000 0.480 87 E N 2.171 122.532 120.200 0.270 0.000 2.033 87 E HA -0.225 4.126 4.350 0.002 0.000 0.199 87 E C 2.233 179.083 176.600 0.417 0.000 1.011 87 E CA 1.310 57.865 56.400 0.259 0.000 0.815 87 E CB -0.620 29.237 29.700 0.261 0.000 0.755 87 E HN 0.610 nan 8.360 nan 0.000 0.451 88 A N 0.307 123.369 122.820 0.403 0.000 1.892 88 A HA -0.194 4.127 4.320 0.002 0.000 0.218 88 A C 2.013 179.780 177.584 0.305 0.000 1.188 88 A CA 1.697 53.950 52.037 0.360 0.000 0.631 88 A CB -1.123 17.888 19.000 0.018 0.000 0.822 88 A HN 0.418 nan 8.150 nan 0.000 0.447 89 F N 1.226 121.312 119.950 0.227 0.000 2.161 89 F HA -0.233 4.296 4.527 0.002 0.000 0.300 89 F C 3.010 178.964 175.800 0.257 0.000 1.089 89 F CA 1.858 59.997 58.000 0.232 0.000 1.282 89 F CB -0.324 38.719 39.000 0.073 0.000 1.010 89 F HN 0.383 nan 8.300 nan 0.000 0.485 90 S N -1.065 114.854 115.700 0.365 0.000 2.383 90 S HA -0.225 4.247 4.470 0.002 0.000 0.227 90 S C 1.861 176.627 174.600 0.276 0.000 1.026 90 S CA 0.965 59.283 58.200 0.196 0.000 0.981 90 S CB -1.178 62.015 63.200 -0.012 0.000 0.818 90 S HN 0.391 nan 8.310 nan 0.000 0.472 91 Y N 0.456 121.023 120.300 0.443 0.000 2.242 91 Y HA -0.039 4.512 4.550 0.002 0.000 0.291 91 Y C 2.590 178.909 175.900 0.698 0.000 1.137 91 Y CA 1.299 59.747 58.100 0.579 0.000 1.181 91 Y CB -0.722 38.049 38.460 0.519 0.000 0.989 91 Y HN 0.341 nan 8.280 nan 0.000 0.527 92 Y N 0.358 121.121 120.300 0.772 0.000 2.097 92 Y HA -0.251 4.300 4.550 0.002 0.000 0.282 92 Y C 2.326 178.577 175.900 0.584 0.000 1.152 92 Y CA 1.325 59.850 58.100 0.710 0.000 1.136 92 Y CB -0.948 37.784 38.460 0.453 0.000 0.975 92 Y HN -0.077 nan 8.280 nan 0.000 0.498 93 V N -0.697 119.470 119.914 0.422 0.000 2.332 93 V HA -0.317 3.805 4.120 0.002 0.000 0.248 93 V C 2.196 178.622 176.094 0.552 0.000 1.055 93 V CA 1.962 64.483 62.300 0.368 0.000 1.038 93 V CB -1.094 30.964 31.823 0.393 0.000 0.651 93 V HN 0.602 nan 8.190 nan 0.000 0.450 94 W N 0.346 121.859 121.300 0.356 0.000 2.335 94 W HA -0.192 4.469 4.660 0.002 0.000 0.311 94 W C 2.327 179.104 176.519 0.430 0.000 1.213 94 W CA 1.753 59.309 57.345 0.351 0.000 1.274 94 W CB -1.024 28.572 29.460 0.226 0.000 1.148 94 W HN 0.248 nan 8.180 nan 0.000 0.498 95 L N 1.428 123.032 121.223 0.634 0.000 2.021 95 L HA -0.256 4.085 4.340 0.002 0.000 0.215 95 L C 2.334 179.586 176.870 0.636 0.000 1.074 95 L CA 2.383 57.564 54.840 0.568 0.000 0.760 95 L CB -1.039 41.351 42.059 0.551 0.000 0.889 95 L HN -0.103 nan 8.230 nan 0.000 0.433 96 E N -0.346 120.220 120.200 0.610 0.000 2.152 96 E HA -0.122 4.229 4.350 0.002 0.000 0.192 96 E C 2.205 179.114 176.600 0.514 0.000 0.983 96 E CA 1.121 57.846 56.400 0.542 0.000 0.818 96 E CB -0.449 29.507 29.700 0.425 0.000 0.758 96 E HN 0.646 nan 8.360 nan 0.000 0.467 97 A N 1.255 124.445 122.820 0.616 0.000 1.877 97 A HA -0.191 4.130 4.320 0.002 0.000 0.216 97 A C 2.223 180.206 177.584 0.665 0.000 1.186 97 A CA 1.947 54.453 52.037 0.781 0.000 0.620 97 A CB -0.426 19.087 19.000 0.855 0.000 0.822 97 A HN 0.218 nan 8.150 nan 0.000 0.443 98 M N -1.920 117.954 119.600 0.457 0.000 2.175 98 M HA -0.068 4.414 4.480 0.002 0.000 0.264 98 M C 1.892 178.018 176.300 -0.289 0.000 1.063 98 M CA 1.612 56.875 55.300 -0.061 0.000 1.119 98 M CB -0.707 31.740 32.600 -0.256 0.000 1.377 98 M HN 0.498 nan 8.290 nan 0.000 0.415 99 Y N 0.127 120.384 120.300 -0.072 0.000 2.128 99 Y HA -0.055 4.496 4.550 0.002 0.000 0.284 99 Y C 2.102 177.720 175.900 -0.469 0.000 1.154 99 Y CA 2.075 60.049 58.100 -0.210 0.000 1.149 99 Y CB -0.959 37.265 38.460 -0.393 0.000 0.976 99 Y HN 0.276 nan 8.280 nan 0.000 0.505 100 G N 0.009 108.419 108.800 -0.649 0.000 2.418 100 G HA2 -0.385 3.576 3.960 0.002 0.000 0.217 100 G HA3 -0.385 3.576 3.960 0.002 0.000 0.217 100 G C 1.622 175.774 174.900 -1.246 0.000 1.158 100 G CA 0.921 45.005 45.100 -1.692 0.000 0.771 100 G HN 0.591 nan 8.290 nan 0.000 0.545 101 N N 0.049 118.402 118.700 -0.579 0.000 2.094 101 N HA -0.073 4.669 4.740 0.002 0.000 0.191 101 N C 1.938 177.122 175.510 -0.543 0.000 1.023 101 N CA 0.863 53.653 53.050 -0.432 0.000 0.857 101 N CB -0.165 37.664 38.487 -1.096 0.000 1.013 101 N HN 0.344 nan 8.380 nan 0.000 0.426 102 L N -1.143 119.701 121.223 -0.632 0.000 2.607 102 L HA 0.104 4.445 4.340 0.002 0.000 0.228 102 L C 1.552 178.145 176.870 -0.462 0.000 1.123 102 L CA 0.316 54.839 54.840 -0.529 0.000 0.890 102 L CB 0.572 42.306 42.059 -0.542 0.000 1.103 102 L HN 0.175 nan 8.230 nan 0.000 0.468 103 T N -1.895 112.307 114.554 -0.587 0.000 3.029 103 T HA 0.201 4.552 4.350 0.002 0.000 0.256 103 T C 1.206 175.635 174.700 -0.451 0.000 0.914 103 T CA 0.760 62.513 62.100 -0.579 0.000 0.880 103 T CB 0.524 68.776 68.868 -1.025 0.000 1.246 103 T HN 0.371 nan 8.240 nan 0.000 0.523 104 G N 2.261 110.771 108.800 -0.485 0.000 2.179 104 G HA2 -0.201 3.760 3.960 0.002 0.000 0.260 104 G HA3 -0.201 3.760 3.960 0.002 0.000 0.260 104 G C -0.187 174.479 174.900 -0.389 0.000 0.977 104 G CA 0.043 44.968 45.100 -0.293 0.000 0.641 104 G HN 0.525 nan 8.290 nan 0.000 0.533 105 N N -0.207 118.128 118.700 -0.609 0.000 2.469 105 N HA 0.470 5.212 4.740 0.002 0.000 0.253 105 N C 0.106 175.382 175.510 -0.390 0.000 0.970 105 N CA -0.520 52.335 53.050 -0.325 0.000 0.940 105 N CB 0.918 39.343 38.487 -0.103 0.000 1.128 105 N HN 0.399 nan 8.380 nan 0.000 0.503 106 W N 0.466 121.837 121.300 0.118 0.000 3.220 106 W HA 0.032 4.693 4.660 0.002 0.000 0.328 106 W C 1.939 178.554 176.519 0.160 0.000 1.205 106 W CA -0.282 57.149 57.345 0.144 0.000 1.773 106 W CB 0.257 29.779 29.460 0.103 0.000 1.086 106 W HN 0.514 nan 8.180 nan 0.000 0.622 107 S N -0.591 115.291 115.700 0.303 0.000 2.423 107 S HA -0.083 4.389 4.470 0.002 0.000 0.231 107 S C 2.097 176.841 174.600 0.239 0.000 1.014 107 S CA 1.232 59.577 58.200 0.242 0.000 0.965 107 S CB -1.014 62.295 63.200 0.182 0.000 0.785 107 S HN 0.256 nan 8.310 nan 0.000 0.495 108 G N 1.760 110.717 108.800 0.261 0.000 2.440 108 G HA2 -0.156 3.805 3.960 0.002 0.000 0.218 108 G HA3 -0.156 3.805 3.960 0.002 0.000 0.218 108 G C 1.408 176.453 174.900 0.242 0.000 1.154 108 G CA 1.100 46.353 45.100 0.255 0.000 0.767 108 G HN 0.484 nan 8.290 nan 0.000 0.552 109 V N 0.536 120.646 119.914 0.326 0.000 2.295 109 V HA -0.185 3.936 4.120 0.002 0.000 0.246 109 V C 2.652 178.915 176.094 0.283 0.000 1.049 109 V CA 2.219 64.722 62.300 0.339 0.000 1.024 109 V CB -0.533 31.566 31.823 0.459 0.000 0.648 109 V HN 0.452 nan 8.190 nan 0.000 0.447 110 E N -0.120 120.231 120.200 0.252 0.000 2.077 110 E HA -0.204 4.147 4.350 0.002 0.000 0.193 110 E C 2.324 179.058 176.600 0.223 0.000 0.989 110 E CA 1.894 58.423 56.400 0.214 0.000 0.800 110 E CB -0.242 29.560 29.700 0.169 0.000 0.746 110 E HN 0.610 nan 8.360 nan 0.000 0.452 111 T N 0.812 115.483 114.554 0.194 0.000 2.708 111 T HA -0.173 4.178 4.350 0.002 0.000 0.266 111 T C 1.965 176.771 174.700 0.177 0.000 1.037 111 T CA 1.276 63.487 62.100 0.185 0.000 1.146 111 T CB -0.258 68.716 68.868 0.176 0.000 0.865 111 T HN 0.251 nan 8.240 nan 0.000 0.435 112 A N 1.026 123.865 122.820 0.031 0.000 1.908 112 A HA -0.132 4.190 4.320 0.002 0.000 0.218 112 A C 2.184 179.835 177.584 0.112 0.000 1.181 112 A CA 1.297 53.176 52.037 -0.263 0.000 0.627 112 A CB -1.003 17.595 19.000 -0.670 0.000 0.818 112 A HN 0.697 nan 8.150 nan 0.000 0.445 113 W N 0.784 122.124 121.300 0.066 0.000 2.418 113 W HA -0.090 4.571 4.660 0.002 0.000 0.292 113 W C 2.153 178.741 176.519 0.114 0.000 1.213 113 W CA 1.821 59.230 57.345 0.107 0.000 1.283 113 W CB -0.148 29.372 29.460 0.100 0.000 1.119 113 W HN 0.458 nan 8.180 nan 0.000 0.542 114 K N 0.304 120.897 120.400 0.321 0.000 2.057 114 K HA -0.168 4.154 4.320 0.002 0.000 0.207 114 K C 1.767 178.479 176.600 0.187 0.000 1.049 114 K CA 1.733 58.158 56.287 0.230 0.000 0.931 114 K CB -0.361 32.257 32.500 0.197 0.000 0.714 114 K HN -0.066 nan 8.250 nan 0.000 0.440 115 V N 2.130 122.209 119.914 0.276 0.000 2.343 115 V HA -0.287 3.834 4.120 0.002 0.000 0.247 115 V C 2.487 178.794 176.094 0.355 0.000 1.051 115 V CA 2.045 64.603 62.300 0.430 0.000 1.036 115 V CB -0.499 31.665 31.823 0.569 0.000 0.654 115 V HN 0.506 nan 8.190 nan 0.000 0.451 116 M N -0.094 119.584 119.600 0.130 0.000 2.080 116 M HA -0.239 4.242 4.480 0.002 0.000 0.260 116 M C 2.234 178.298 176.300 -0.393 0.000 1.068 116 M CA 2.110 57.154 55.300 -0.427 0.000 1.109 116 M CB -0.332 31.903 32.600 -0.609 0.000 1.342 116 M HN 0.372 nan 8.290 nan 0.000 0.405 117 E N 0.248 120.298 120.200 -0.249 0.000 2.085 117 E HA -0.228 4.123 4.350 0.002 0.000 0.194 117 E C 1.548 178.044 176.600 -0.174 0.000 0.994 117 E CA 1.633 57.941 56.400 -0.153 0.000 0.801 117 E CB -0.091 29.643 29.700 0.058 0.000 0.743 117 E HN 0.594 nan 8.360 nan 0.000 0.453 118 D N -1.194 119.087 120.400 -0.197 0.000 2.178 118 D HA -0.133 4.508 4.640 0.002 0.000 0.202 118 D C 1.260 177.103 176.300 -0.763 0.000 0.974 118 D CA 0.978 54.680 54.000 -0.497 0.000 0.841 118 D CB -0.065 40.381 40.800 -0.589 0.000 0.953 118 D HN 0.327 nan 8.370 nan 0.000 0.478 119 W N -0.474 120.762 121.300 -0.106 0.000 3.412 119 W HA 0.393 5.054 4.660 0.002 0.000 0.236 119 W C 1.979 178.394 176.519 -0.173 0.000 1.030 119 W CA -0.398 56.865 57.345 -0.137 0.000 1.850 119 W CB 0.006 29.434 29.460 -0.053 0.000 0.979 119 W HN -0.267 nan 8.180 nan 0.000 0.716 120 I N 0.506 121.012 120.570 -0.107 0.000 3.783 120 I HA 0.202 4.373 4.170 0.002 0.000 0.310 120 I C -0.059 176.030 176.117 -0.046 0.000 1.274 120 I CA 0.284 61.555 61.300 -0.048 0.000 1.294 120 I CB 0.377 38.136 38.000 -0.402 0.000 1.051 120 I HN -0.264 nan 8.210 nan 0.000 0.435 121 I N 3.460 123.903 120.570 -0.212 0.000 2.297 121 I HA 0.225 4.397 4.170 0.002 0.000 0.291 121 I C -2.212 173.772 176.117 -0.221 0.000 1.033 121 I CA -1.919 59.197 61.300 -0.307 0.000 1.253 121 I CB 0.684 38.372 38.000 -0.520 0.000 1.396 121 I HN -0.122 nan 8.210 nan 0.000 0.476 122 P HA -0.017 nan 4.420 nan 0.000 0.263 122 P C -0.948 176.219 177.300 -0.221 0.000 1.195 122 P CA -0.071 62.786 63.100 -0.405 0.000 0.762 122 P CB 0.300 31.427 31.700 -0.954 0.000 0.799 123 D N 0.577 120.887 120.400 -0.151 0.000 2.506 123 D HA 0.110 4.751 4.640 0.002 0.000 0.272 123 D C 0.898 177.133 176.300 -0.109 0.000 1.214 123 D CA -0.514 53.423 54.000 -0.104 0.000 1.067 123 D CB -0.261 40.486 40.800 -0.090 0.000 1.117 123 D HN 0.118 nan 8.370 nan 0.000 0.578 124 S N -1.016 114.639 115.700 -0.075 0.000 2.380 124 S HA -0.212 4.260 4.470 0.002 0.000 0.229 124 S C 1.888 176.422 174.600 -0.110 0.000 1.043 124 S CA 1.874 60.032 58.200 -0.071 0.000 1.038 124 S CB -0.974 62.202 63.200 -0.040 0.000 0.872 124 S HN 0.680 nan 8.310 nan 0.000 0.456 125 T N 1.939 116.428 114.554 -0.108 0.000 2.915 125 T HA -0.045 4.306 4.350 0.002 0.000 0.269 125 T C 1.323 175.914 174.700 -0.182 0.000 1.071 125 T CA 1.061 63.091 62.100 -0.117 0.000 1.132 125 T CB -0.224 68.593 68.868 -0.085 0.000 0.878 125 T HN 0.571 nan 8.240 nan 0.000 0.479 126 E N 0.560 120.631 120.200 -0.216 0.000 2.474 126 E HA 0.107 4.458 4.350 0.002 0.000 0.195 126 E C 0.519 176.743 176.600 -0.627 0.000 1.039 126 E CA 0.080 56.313 56.400 -0.279 0.000 0.881 126 E CB 0.329 29.955 29.700 -0.124 0.000 0.970 126 E HN 0.479 nan 8.360 nan 0.000 0.486 127 Q N 1.511 120.899 119.800 -0.687 0.000 2.470 127 Q HA 0.182 4.523 4.340 0.002 0.000 0.389 127 Q C -2.499 173.105 176.000 -0.661 0.000 0.888 127 Q CA -1.671 53.439 55.803 -1.155 0.000 1.106 127 Q CB 0.932 29.445 28.738 -0.375 0.000 1.368 127 Q HN 0.066 nan 8.270 nan 0.000 0.403 128 P HA 0.049 nan 4.420 nan 0.000 0.271 128 P C 0.830 178.248 177.300 0.196 0.000 1.220 128 P CA 0.972 64.006 63.100 -0.110 0.000 0.768 128 P CB 1.275 32.911 31.700 -0.108 0.000 0.848 129 G N 3.013 111.906 108.800 0.154 0.000 2.213 129 G HA2 -0.286 3.675 3.960 0.002 0.000 0.226 129 G HA3 -0.286 3.675 3.960 0.002 0.000 0.226 129 G C 1.076 176.119 174.900 0.239 0.000 0.992 129 G CA 0.155 45.361 45.100 0.177 0.000 0.632 129 G HN 0.350 nan 8.290 nan 0.000 0.511 130 M N 2.036 121.816 119.600 0.301 0.000 2.144 130 M HA -0.092 4.390 4.480 0.002 0.000 0.260 130 M C 2.818 179.288 176.300 0.285 0.000 1.067 130 M CA 2.414 57.907 55.300 0.322 0.000 1.095 130 M CB -1.266 31.522 32.600 0.313 0.000 1.365 130 M HN 0.840 nan 8.290 nan 0.000 0.406 131 S N -1.253 114.579 115.700 0.220 0.000 2.500 131 S HA -0.055 4.416 4.470 0.002 0.000 0.239 131 S C 1.835 176.556 174.600 0.201 0.000 0.989 131 S CA 1.404 59.727 58.200 0.204 0.000 0.951 131 S CB -0.361 62.925 63.200 0.142 0.000 0.759 131 S HN 0.385 nan 8.310 nan 0.000 0.523 132 S N 0.254 116.076 115.700 0.204 0.000 2.603 132 S HA 0.207 4.679 4.470 0.002 0.000 0.220 132 S C 0.179 174.901 174.600 0.203 0.000 0.967 132 S CA -0.459 57.855 58.200 0.189 0.000 0.920 132 S CB -0.499 62.821 63.200 0.198 0.000 0.773 132 S HN 0.733 nan 8.310 nan 0.000 0.529 133 Y N 3.475 123.832 120.300 0.096 0.000 2.712 133 Y HA 0.142 4.693 4.550 0.002 0.000 0.333 133 Y C 0.213 176.093 175.900 -0.032 0.000 1.225 133 Y CA -0.280 57.827 58.100 0.012 0.000 1.499 133 Y CB 0.216 38.596 38.460 -0.132 0.000 1.288 133 Y HN -0.001 nan 8.280 nan 0.000 0.575 134 N N 7.849 126.107 118.700 -0.737 0.000 2.511 134 N HA 0.332 5.073 4.740 0.002 0.000 0.249 134 N C -2.414 172.583 175.510 -0.854 0.000 0.971 134 N CA -2.622 50.089 53.050 -0.566 0.000 0.938 134 N CB 1.673 40.003 38.487 -0.262 0.000 1.131 134 N HN 0.313 nan 8.380 nan 0.000 0.505 135 P HA -0.022 nan 4.420 nan 0.000 0.221 135 P C 0.359 177.435 177.300 -0.372 0.000 1.145 135 P CA 0.942 63.767 63.100 -0.457 0.000 0.795 135 P CB 0.393 31.987 31.700 -0.175 0.000 0.775 136 N N -1.668 116.865 118.700 -0.279 0.000 2.398 136 N HA 0.033 4.774 4.740 0.002 0.000 0.188 136 N C 0.163 175.574 175.510 -0.166 0.000 1.122 136 N CA 0.651 53.583 53.050 -0.198 0.000 0.866 136 N CB 0.040 38.447 38.487 -0.132 0.000 0.970 136 N HN -0.058 nan 8.380 nan 0.000 0.462 137 S N 0.184 115.760 115.700 -0.206 0.000 2.605 137 S HA 0.333 4.805 4.470 0.002 0.000 0.142 137 S C -2.292 172.241 174.600 -0.112 0.000 1.452 137 S CA -0.945 57.188 58.200 -0.113 0.000 1.240 137 S CB 0.586 63.744 63.200 -0.070 0.000 1.538 137 S HN -0.110 nan 8.310 nan 0.000 0.394 138 P HA 0.335 nan 4.420 nan 0.000 0.224 138 P C 0.312 177.851 177.300 0.398 0.000 1.157 138 P CA 0.613 63.751 63.100 0.064 0.000 0.799 138 P CB 0.308 32.114 31.700 0.178 0.000 0.809 139 A N -2.540 120.491 122.820 0.352 0.000 2.536 139 A HA 0.619 4.940 4.320 0.002 0.000 0.293 139 A C -1.238 176.429 177.584 0.140 0.000 1.119 139 A CA -0.372 51.881 52.037 0.359 0.000 0.654 139 A CB 0.366 19.692 19.000 0.542 0.000 1.291 139 A HN -0.194 nan 8.150 nan 0.000 0.439 140 T N 0.953 115.478 114.554 -0.049 0.000 2.779 140 T HA 0.498 4.849 4.350 0.002 0.000 0.280 140 T C -0.626 173.801 174.700 -0.455 0.000 0.987 140 T CA 0.067 61.980 62.100 -0.313 0.000 0.966 140 T CB 0.545 69.016 68.868 -0.661 0.000 0.933 140 T HN 0.570 nan 8.240 nan 0.000 0.442 141 Y N 2.974 122.861 120.300 -0.689 0.000 2.702 141 Y HA 0.366 4.917 4.550 0.002 0.000 0.336 141 Y C -0.011 175.544 175.900 -0.576 0.000 1.235 141 Y CA -0.116 57.383 58.100 -1.000 0.000 1.492 141 Y CB 0.140 38.198 38.460 -0.670 0.000 1.308 141 Y HN 0.760 nan 8.280 nan 0.000 0.589 142 A N 5.350 127.205 122.820 -1.607 0.000 2.549 142 A HA 0.404 4.725 4.320 0.002 0.000 0.297 142 A C -1.290 175.637 177.584 -1.095 0.000 1.061 142 A CA -1.036 50.396 52.037 -1.008 0.000 0.690 142 A CB 0.950 19.723 19.000 -0.378 0.000 1.287 142 A HN 0.696 nan 8.150 nan 0.000 0.402 143 D N 1.323 121.340 120.400 -0.639 0.000 2.368 143 D HA 0.315 4.956 4.640 0.002 0.000 0.240 143 D C 0.123 176.056 176.300 -0.612 0.000 1.169 143 D CA 0.554 54.224 54.000 -0.550 0.000 0.906 143 D CB 0.760 41.091 40.800 -0.782 0.000 1.187 143 D HN 0.558 nan 8.370 nan 0.000 0.435 144 E N 0.102 119.977 120.200 -0.542 0.000 2.227 144 E HA 0.472 4.823 4.350 0.002 0.000 0.268 144 E C -0.791 175.379 176.600 -0.717 0.000 0.990 144 E CA -0.637 55.537 56.400 -0.377 0.000 0.856 144 E CB 1.372 31.015 29.700 -0.096 0.000 1.159 144 E HN 0.351 nan 8.360 nan 0.000 0.401 145 Y N -0.183 120.057 120.300 -0.100 0.000 2.605 145 Y HA 0.155 4.706 4.550 0.002 0.000 0.343 145 Y C 0.722 176.529 175.900 -0.155 0.000 1.036 145 Y CA -0.811 57.072 58.100 -0.362 0.000 1.065 145 Y CB 1.462 39.447 38.460 -0.792 0.000 1.288 145 Y HN 0.458 nan 8.280 nan 0.000 0.481 146 E N 0.308 120.461 120.200 -0.079 0.000 2.347 146 E HA -0.030 4.321 4.350 0.002 0.000 0.196 146 E C -0.738 175.965 176.600 0.173 0.000 1.008 146 E CA 0.835 57.260 56.400 0.040 0.000 0.852 146 E CB 0.280 30.013 29.700 0.055 0.000 0.783 146 E HN 0.469 nan 8.360 nan 0.000 0.505 147 D N -2.540 118.055 120.400 0.324 0.000 2.859 147 D HA 0.175 4.816 4.640 0.002 0.000 0.223 147 D C -2.275 174.246 176.300 0.369 0.000 1.218 147 D CA -2.081 52.105 54.000 0.311 0.000 0.850 147 D CB 1.697 42.659 40.800 0.269 0.000 1.656 147 D HN -0.343 nan 8.370 nan 0.000 0.484 148 P HA -0.102 nan 4.420 nan 0.000 0.221 148 P C 0.968 178.224 177.300 -0.072 0.000 1.145 148 P CA 0.920 64.133 63.100 0.188 0.000 0.795 148 P CB 0.065 31.838 31.700 0.123 0.000 0.775 149 S N -2.707 112.700 115.700 -0.488 0.000 2.507 149 S HA -0.153 4.318 4.470 0.002 0.000 0.235 149 S C 1.701 175.967 174.600 -0.557 0.000 0.988 149 S CA 0.643 58.063 58.200 -1.300 0.000 0.944 149 S CB -1.485 61.161 63.200 -0.923 0.000 0.762 149 S HN 0.152 nan 8.310 nan 0.000 0.526 150 Y N 0.566 120.697 120.300 -0.281 0.000 2.395 150 Y HA 0.214 4.765 4.550 0.002 0.000 0.293 150 Y C 0.663 176.369 175.900 -0.323 0.000 1.123 150 Y CA 0.072 57.932 58.100 -0.400 0.000 1.227 150 Y CB -0.242 37.794 38.460 -0.705 0.000 1.012 150 Y HN 0.231 nan 8.280 nan 0.000 0.552 151 Y N 1.674 122.032 120.300 0.096 0.000 2.326 151 Y HA 0.177 4.728 4.550 0.002 0.000 0.333 151 Y C -1.684 174.302 175.900 0.144 0.000 1.240 151 Y CA -3.220 54.981 58.100 0.169 0.000 1.365 151 Y CB -0.390 38.213 38.460 0.237 0.000 1.289 151 Y HN -0.108 nan 8.280 nan 0.000 0.548 152 P HA 0.011 nan 4.420 nan 0.000 0.272 152 P C -0.688 176.716 177.300 0.173 0.000 1.240 152 P CA -0.288 62.974 63.100 0.270 0.000 0.791 152 P CB 1.079 32.882 31.700 0.172 0.000 0.978 153 S N -0.366 115.461 115.700 0.212 0.000 2.472 153 S HA 0.229 4.700 4.470 0.002 0.000 0.303 153 S C -0.457 174.212 174.600 0.115 0.000 1.099 153 S CA -0.699 57.584 58.200 0.138 0.000 1.077 153 S CB 0.540 63.787 63.200 0.078 0.000 1.031 153 S HN 0.460 nan 8.310 nan 0.000 0.487 154 E N 4.039 124.297 120.200 0.097 0.000 2.313 154 E HA 0.304 4.656 4.350 0.002 0.000 0.276 154 E C -0.638 175.949 176.600 -0.023 0.000 1.031 154 E CA -0.508 55.930 56.400 0.063 0.000 0.857 154 E CB 0.574 30.325 29.700 0.085 0.000 1.040 154 E HN 0.644 nan 8.360 nan 0.000 0.408 155 L N 4.861 126.044 121.223 -0.067 0.000 2.455 155 L HA 0.118 4.459 4.340 0.002 0.000 0.272 155 L C 0.301 177.057 176.870 -0.191 0.000 1.174 155 L CA 0.169 54.854 54.840 -0.258 0.000 0.869 155 L CB 0.332 42.136 42.059 -0.426 0.000 1.130 155 L HN 0.381 nan 8.230 nan 0.000 0.474 156 K N 4.903 125.167 120.400 -0.226 0.000 2.423 156 K HA 0.197 4.518 4.320 0.002 0.000 0.234 156 K C 0.348 176.883 176.600 -0.108 0.000 1.051 156 K CA -0.223 56.036 56.287 -0.047 0.000 1.021 156 K CB 0.647 33.206 32.500 0.098 0.000 1.474 156 K HN 0.413 nan 8.250 nan 0.000 0.474 157 F N 0.953 120.883 119.950 -0.032 0.000 2.146 157 F HA -0.154 4.374 4.527 0.002 0.000 0.298 157 F C 1.465 177.238 175.800 -0.045 0.000 1.096 157 F CA 1.463 59.434 58.000 -0.050 0.000 1.275 157 F CB 0.332 39.292 39.000 -0.066 0.000 1.008 157 F HN 0.360 nan 8.300 nan 0.000 0.480 158 D N -2.426 118.060 120.400 0.143 0.000 2.454 158 D HA 0.047 4.688 4.640 0.002 0.000 0.214 158 D C 1.828 178.137 176.300 0.015 0.000 1.088 158 D CA 0.645 54.684 54.000 0.064 0.000 0.855 158 D CB -0.007 40.822 40.800 0.049 0.000 1.025 158 D HN 0.139 nan 8.370 nan 0.000 0.502 159 T N 0.258 114.816 114.554 0.007 0.000 3.051 159 T HA 0.134 4.485 4.350 0.002 0.000 0.255 159 T C 0.592 175.246 174.700 -0.076 0.000 1.085 159 T CA 0.382 62.468 62.100 -0.023 0.000 1.109 159 T CB 0.873 69.740 68.868 -0.001 0.000 0.921 159 T HN -0.145 nan 8.240 nan 0.000 0.488 160 V N 2.133 121.989 119.914 -0.097 0.000 2.447 160 V HA 0.448 4.569 4.120 0.002 0.000 0.292 160 V C -0.285 175.724 176.094 -0.142 0.000 1.021 160 V CA -1.244 60.942 62.300 -0.190 0.000 0.850 160 V CB 1.829 33.435 31.823 -0.361 0.000 1.005 160 V HN 0.119 nan 8.190 nan 0.000 0.426 161 R N 3.337 123.760 120.500 -0.128 0.000 2.357 161 R HA 0.681 5.023 4.340 0.002 0.000 0.296 161 R C -0.872 175.375 176.300 -0.088 0.000 1.052 161 R CA -0.242 55.806 56.100 -0.086 0.000 0.988 161 R CB 1.494 31.755 30.300 -0.066 0.000 1.025 161 R HN 0.533 nan 8.270 nan 0.000 0.469 162 V N 3.284 123.181 119.914 -0.029 0.000 2.837 162 V HA 0.437 4.558 4.120 0.002 0.000 0.310 162 V C 1.030 177.165 176.094 0.068 0.000 1.059 162 V CA -0.216 62.118 62.300 0.056 0.000 1.004 162 V CB 1.736 33.639 31.823 0.134 0.000 1.045 162 V HN 1.026 nan 8.190 nan 0.000 0.465 163 G N 1.723 110.614 108.800 0.151 0.000 2.563 163 G HA2 0.415 4.376 3.960 0.002 0.000 0.283 163 G HA3 0.415 4.376 3.960 0.002 0.000 0.283 163 G C -0.181 174.713 174.900 -0.009 0.000 1.309 163 G CA -0.309 44.855 45.100 0.107 0.000 1.022 163 G HN 0.655 nan 8.290 nan 0.000 0.501 164 S N -0.595 115.020 115.700 -0.141 0.000 2.617 164 S HA 0.347 4.819 4.470 0.002 0.000 0.283 164 S C -0.660 173.456 174.600 -0.806 0.000 1.189 164 S CA -0.425 57.546 58.200 -0.383 0.000 1.036 164 S CB 1.657 64.713 63.200 -0.241 0.000 1.014 164 S HN 0.606 nan 8.310 nan 0.000 0.522 165 D N 2.259 122.069 120.400 -0.983 0.000 2.396 165 D HA 0.288 4.930 4.640 0.002 0.000 0.225 165 D C -1.743 174.201 176.300 -0.594 0.000 1.121 165 D CA -2.072 51.229 54.000 -1.164 0.000 0.853 165 D CB 1.268 41.548 40.800 -0.866 0.000 1.043 165 D HN 0.149 nan 8.370 nan 0.000 0.500 166 P HA 0.055 nan 4.420 nan 0.000 0.257 166 P C 0.721 177.826 177.300 -0.326 0.000 1.281 166 P CA -0.000 62.838 63.100 -0.436 0.000 0.826 166 P CB 0.969 32.299 31.700 -0.616 0.000 1.237 167 V N -1.600 118.124 119.914 -0.317 0.000 3.562 167 V HA 0.016 4.137 4.120 0.002 0.000 0.270 167 V C 2.296 178.339 176.094 -0.085 0.000 1.418 167 V CA 0.429 62.640 62.300 -0.147 0.000 1.033 167 V CB -0.430 31.312 31.823 -0.135 0.000 0.820 167 V HN 0.081 nan 8.190 nan 0.000 0.441 168 H N 1.505 120.488 119.070 -0.146 0.000 2.293 168 H HA -0.139 4.418 4.556 0.002 0.000 0.300 168 H C 2.176 177.488 175.328 -0.026 0.000 1.082 168 H CA 2.562 58.572 56.048 -0.063 0.000 1.308 168 H CB 0.201 29.994 29.762 0.052 0.000 1.375 168 H HN 0.344 nan 8.280 nan 0.000 0.495 169 N N 0.299 119.018 118.700 0.032 0.000 2.223 169 N HA -0.145 4.597 4.740 0.002 0.000 0.185 169 N C 1.578 177.041 175.510 -0.078 0.000 1.016 169 N CA 1.357 54.399 53.050 -0.013 0.000 0.863 169 N CB -0.534 37.970 38.487 0.028 0.000 0.983 169 N HN 0.522 nan 8.380 nan 0.000 0.429 170 D N 0.645 121.001 120.400 -0.072 0.000 2.123 170 D HA -0.069 4.572 4.640 0.002 0.000 0.196 170 D C 2.009 178.220 176.300 -0.148 0.000 0.992 170 D CA 0.786 54.737 54.000 -0.081 0.000 0.833 170 D CB -0.079 40.703 40.800 -0.030 0.000 0.954 170 D HN 0.167 nan 8.370 nan 0.000 0.455 171 L N -0.595 120.513 121.223 -0.191 0.000 2.056 171 L HA -0.105 4.236 4.340 0.002 0.000 0.207 171 L C 2.595 179.373 176.870 -0.153 0.000 1.078 171 L CA 0.435 55.139 54.840 -0.228 0.000 0.749 171 L CB -0.314 41.490 42.059 -0.425 0.000 0.901 171 L HN 0.010 nan 8.230 nan 0.000 0.433 172 V N -0.203 119.592 119.914 -0.198 0.000 2.343 172 V HA -0.282 3.840 4.120 0.002 0.000 0.247 172 V C 2.737 178.776 176.094 -0.091 0.000 1.051 172 V CA 2.057 64.286 62.300 -0.119 0.000 1.036 172 V CB -0.468 31.273 31.823 -0.137 0.000 0.654 172 V HN 0.659 nan 8.190 nan 0.000 0.451 173 S N 0.628 116.255 115.700 -0.122 0.000 2.419 173 S HA -0.088 4.383 4.470 0.002 0.000 0.233 173 S C 1.917 176.398 174.600 -0.197 0.000 1.016 173 S CA 1.365 59.493 58.200 -0.120 0.000 0.974 173 S CB -0.256 62.886 63.200 -0.098 0.000 0.786 173 S HN 0.557 nan 8.310 nan 0.000 0.492 174 A N -0.232 122.380 122.820 -0.347 0.000 1.984 174 A HA 0.350 4.671 4.320 0.002 0.000 0.214 174 A C 1.380 178.576 177.584 -0.647 0.000 1.173 174 A CA 0.589 52.245 52.037 -0.636 0.000 0.673 174 A CB -0.317 18.049 19.000 -1.057 0.000 0.830 174 A HN 0.661 nan 8.150 nan 0.000 0.453 175 Y N -1.569 118.722 120.300 -0.016 0.000 2.499 175 Y HA 0.450 5.001 4.550 0.002 0.000 0.253 175 Y C 1.294 177.218 175.900 0.040 0.000 1.105 175 Y CA -0.289 57.834 58.100 0.037 0.000 1.240 175 Y CB 0.152 38.716 38.460 0.173 0.000 1.289 175 Y HN 0.515 nan 8.280 nan 0.000 0.534 176 G N 1.586 110.463 108.800 0.129 0.000 2.627 176 G HA2 -0.196 3.765 3.960 0.002 0.000 0.214 176 G HA3 -0.196 3.765 3.960 0.002 0.000 0.214 176 G C -2.057 172.911 174.900 0.113 0.000 1.331 176 G CA -0.349 44.809 45.100 0.097 0.000 0.891 176 G HN -0.013 nan 8.290 nan 0.000 0.539 177 P HA 0.074 nan 4.420 nan 0.000 0.231 177 P C 0.341 177.726 177.300 0.141 0.000 1.168 177 P CA 0.677 63.855 63.100 0.130 0.000 0.779 177 P CB 0.017 31.799 31.700 0.137 0.000 0.844 178 N N 0.152 118.917 118.700 0.108 0.000 2.489 178 N HA 0.227 4.968 4.740 0.002 0.000 0.284 178 N C 0.476 175.943 175.510 -0.072 0.000 1.158 178 N CA -0.434 52.645 53.050 0.048 0.000 0.965 178 N CB 0.548 39.040 38.487 0.008 0.000 1.195 178 N HN -0.090 nan 8.380 nan 0.000 0.506 179 M N 1.132 120.585 119.600 -0.246 0.000 2.235 179 M HA 0.087 4.568 4.480 0.002 0.000 0.351 179 M C -0.508 175.318 176.300 -0.790 0.000 1.178 179 M CA -0.158 54.726 55.300 -0.693 0.000 1.143 179 M CB 0.053 31.983 32.600 -1.117 0.000 1.530 179 M HN 0.507 nan 8.290 nan 0.000 0.461 180 Y N 4.158 123.482 120.300 -1.626 0.000 2.915 180 Y HA 0.573 5.124 4.550 0.002 0.000 0.350 180 Y C -1.499 174.048 175.900 -0.587 0.000 1.061 180 Y CA -0.286 57.230 58.100 -0.973 0.000 1.179 180 Y CB 0.334 38.218 38.460 -0.961 0.000 1.180 180 Y HN 0.551 nan 8.280 nan 0.000 0.605 181 L N 3.111 124.022 121.223 -0.521 0.000 2.359 181 L HA 0.569 4.910 4.340 0.002 0.000 0.256 181 L C -0.703 176.044 176.870 -0.206 0.000 1.026 181 L CA -1.275 53.396 54.840 -0.282 0.000 0.828 181 L CB 2.581 44.552 42.059 -0.146 0.000 1.406 181 L HN 0.253 nan 8.230 nan 0.000 0.413 182 M N 0.585 120.108 119.600 -0.128 0.000 2.209 182 M HA 0.288 4.769 4.480 0.002 0.000 0.355 182 M C -0.478 175.878 176.300 0.094 0.000 1.171 182 M CA -0.655 54.589 55.300 -0.094 0.000 1.069 182 M CB 1.167 33.666 32.600 -0.168 0.000 1.622 182 M HN 0.432 nan 8.290 nan 0.000 0.459 183 H N 3.649 122.693 119.070 -0.042 0.000 2.897 183 H HA -0.076 4.481 4.556 0.002 0.000 0.347 183 H C 0.603 176.038 175.328 0.179 0.000 1.068 183 H CA 0.585 56.650 56.048 0.028 0.000 1.426 183 H CB 0.629 30.242 29.762 -0.250 0.000 1.410 183 H HN 0.727 nan 8.280 nan 0.000 0.597 184 W N 5.212 126.180 121.300 -0.553 0.000 2.518 184 W HA 0.084 4.745 4.660 0.002 0.000 0.273 184 W C -1.070 175.384 176.519 -0.110 0.000 1.247 184 W CA -0.132 57.076 57.345 -0.229 0.000 1.288 184 W CB -0.060 29.315 29.460 -0.141 0.000 1.107 184 W HN 0.370 nan 8.180 nan 0.000 0.586 185 L N 1.654 122.285 121.223 -0.987 0.000 2.410 185 L HA 0.589 4.930 4.340 0.002 0.000 0.270 185 L C -0.913 175.881 176.870 -0.126 0.000 0.983 185 L CA -1.097 53.237 54.840 -0.843 0.000 0.822 185 L CB 2.082 43.155 42.059 -1.643 0.000 1.285 185 L HN 0.016 nan 8.230 nan 0.000 0.409 186 M N 3.646 123.230 119.600 -0.027 0.000 2.324 186 M HA 0.340 4.821 4.480 0.002 0.000 0.288 186 M C -1.713 174.632 176.300 0.075 0.000 1.097 186 M CA -0.590 54.756 55.300 0.077 0.000 0.928 186 M CB 1.831 34.478 32.600 0.078 0.000 1.648 186 M HN 0.653 nan 8.290 nan 0.000 0.460 187 D N 4.206 124.668 120.400 0.104 0.000 2.453 187 D HA 0.205 4.846 4.640 0.002 0.000 0.223 187 D C 0.825 177.198 176.300 0.123 0.000 1.183 187 D CA -0.085 54.022 54.000 0.178 0.000 0.933 187 D CB 0.817 41.768 40.800 0.252 0.000 1.038 187 D HN 0.454 nan 8.370 nan 0.000 0.513 188 V N 3.019 123.010 119.914 0.129 0.000 2.287 188 V HA -0.169 3.952 4.120 0.002 0.000 0.248 188 V C 1.176 177.289 176.094 0.032 0.000 1.053 188 V CA 1.585 63.909 62.300 0.040 0.000 1.027 188 V CB -0.149 31.720 31.823 0.077 0.000 0.646 188 V HN 0.540 nan 8.190 nan 0.000 0.447 189 D N -0.444 120.037 120.400 0.135 0.000 2.525 189 D HA 0.138 4.780 4.640 0.002 0.000 0.229 189 D C 0.488 176.846 176.300 0.097 0.000 1.202 189 D CA -0.065 53.998 54.000 0.105 0.000 0.828 189 D CB -0.156 40.732 40.800 0.147 0.000 1.008 189 D HN 0.408 nan 8.370 nan 0.000 0.493 190 N N 0.111 118.869 118.700 0.096 0.000 2.735 190 N HA -0.240 4.501 4.740 0.002 0.000 0.248 190 N C 0.530 176.041 175.510 0.002 0.000 1.083 190 N CA 0.268 53.354 53.050 0.060 0.000 0.703 190 N CB -1.541 36.964 38.487 0.030 0.000 1.005 190 N HN 0.446 nan 8.380 nan 0.000 0.550 191 W N -0.052 121.123 121.300 -0.208 0.000 2.342 191 W HA -0.134 4.527 4.660 0.002 0.000 0.297 191 W C 1.482 177.639 176.519 -0.603 0.000 1.213 191 W CA 1.699 58.763 57.345 -0.468 0.000 1.251 191 W CB -0.566 28.395 29.460 -0.832 0.000 1.136 191 W HN 0.444 nan 8.180 nan 0.000 0.526 192 Y N -0.259 119.786 120.300 -0.425 0.000 2.395 192 Y HA 0.119 4.671 4.550 0.002 0.000 0.293 192 Y C 2.429 177.779 175.900 -0.916 0.000 1.123 192 Y CA 1.748 59.388 58.100 -0.767 0.000 1.227 192 Y CB -0.557 37.558 38.460 -0.574 0.000 1.012 192 Y HN 0.108 nan 8.280 nan 0.000 0.552 193 G N -1.748 106.765 108.800 -0.479 0.000 2.157 193 G HA2 -0.295 3.666 3.960 0.002 0.000 0.239 193 G HA3 -0.295 3.666 3.960 0.002 0.000 0.239 193 G C 0.779 175.418 174.900 -0.436 0.000 0.982 193 G CA 0.254 45.084 45.100 -0.450 0.000 0.650 193 G HN 0.301 nan 8.290 nan 0.000 0.527 194 F N 1.435 121.287 119.950 -0.163 0.000 2.293 194 F HA 0.256 4.785 4.527 0.002 0.000 0.300 194 F C 2.290 178.180 175.800 0.151 0.000 1.086 194 F CA 1.122 59.093 58.000 -0.048 0.000 1.375 194 F CB -0.521 38.492 39.000 0.021 0.000 1.045 194 F HN 0.386 nan 8.300 nan 0.000 0.516 195 G N -0.943 108.004 108.800 0.245 0.000 2.532 195 G HA2 0.416 4.377 3.960 0.002 0.000 0.291 195 G HA3 0.416 4.377 3.960 0.002 0.000 0.291 195 G C -0.586 174.408 174.900 0.157 0.000 1.349 195 G CA -0.480 44.741 45.100 0.203 0.000 1.038 195 G HN -0.010 nan 8.290 nan 0.000 0.518 196 T N -0.201 114.430 114.554 0.128 0.000 2.889 196 T HA 0.486 4.837 4.350 0.002 0.000 0.291 196 T C 1.395 176.136 174.700 0.068 0.000 0.995 196 T CA 0.759 62.919 62.100 0.100 0.000 1.092 196 T CB 0.942 69.864 68.868 0.090 0.000 0.954 196 T HN 1.546 nan 8.240 nan 0.000 0.506 197 G N 2.846 111.676 108.800 0.050 0.000 2.698 197 G HA2 -0.363 3.598 3.960 0.002 0.000 0.337 197 G HA3 -0.363 3.598 3.960 0.002 0.000 0.337 197 G C 0.902 175.816 174.900 0.022 0.000 1.196 197 G CA 1.067 46.186 45.100 0.031 0.000 0.965 197 G HN 0.807 nan 8.290 nan 0.000 0.550 198 T N 1.278 115.850 114.554 0.030 0.000 3.170 198 T HA 0.567 4.918 4.350 0.002 0.000 0.288 198 T C 1.069 175.783 174.700 0.024 0.000 0.992 198 T CA 1.603 63.718 62.100 0.025 0.000 0.909 198 T CB -0.190 68.692 68.868 0.023 0.000 1.133 198 T HN 1.054 nan 8.240 nan 0.000 0.530 199 R N 1.021 121.546 120.500 0.040 0.000 2.537 199 R HA 0.805 5.146 4.340 0.002 0.000 0.280 199 R C 0.542 176.857 176.300 0.024 0.000 1.058 199 R CA 0.223 56.352 56.100 0.048 0.000 1.057 199 R CB -0.667 29.689 30.300 0.094 0.000 0.973 199 R HN 0.492 nan 8.270 nan 0.000 0.438 200 A N 2.318 125.117 122.820 -0.035 0.000 2.548 200 A HA 0.460 4.781 4.320 0.002 0.000 0.247 200 A C 0.157 177.713 177.584 -0.046 0.000 1.067 200 A CA 0.675 52.668 52.037 -0.074 0.000 0.757 200 A CB 0.017 18.887 19.000 -0.216 0.000 0.996 200 A HN 0.851 nan 8.150 nan 0.000 0.504 201 T N 2.981 117.509 114.554 -0.043 0.000 2.881 201 T HA 0.465 4.816 4.350 0.002 0.000 0.290 201 T C -0.431 174.259 174.700 -0.018 0.000 1.000 201 T CA -0.165 61.925 62.100 -0.016 0.000 0.978 201 T CB 0.568 69.507 68.868 0.117 0.000 0.997 201 T HN 0.374 nan 8.240 nan 0.000 0.443 202 F N 3.999 124.002 119.950 0.088 0.000 2.543 202 F HA 0.402 4.930 4.527 0.002 0.000 0.375 202 F C 0.923 176.706 175.800 -0.029 0.000 1.075 202 F CA -0.493 57.527 58.000 0.034 0.000 1.225 202 F CB 0.228 39.208 39.000 -0.035 0.000 1.099 202 F HN 0.436 nan 8.300 nan 0.000 0.561 203 I N 0.182 120.849 120.570 0.161 0.000 3.145 203 I HA 0.686 4.857 4.170 0.002 0.000 0.313 203 I C -1.142 174.931 176.117 -0.072 0.000 1.122 203 I CA -1.064 60.195 61.300 -0.069 0.000 0.987 203 I CB 2.381 40.312 38.000 -0.115 0.000 1.236 203 I HN 0.390 nan 8.210 nan 0.000 0.453 204 N N -0.180 118.283 118.700 -0.395 0.000 2.455 204 N HA 0.658 5.399 4.740 0.002 0.000 0.278 204 N C -0.306 174.820 175.510 -0.640 0.000 1.291 204 N CA 0.126 52.971 53.050 -0.342 0.000 0.780 204 N CB 2.473 40.887 38.487 -0.121 0.000 1.520 204 N HN 0.937 nan 8.380 nan 0.000 0.486 205 T N -2.406 112.025 114.554 -0.206 0.000 3.425 205 T HA 0.363 4.714 4.350 0.002 0.000 0.225 205 T C 0.295 174.895 174.700 -0.167 0.000 0.992 205 T CA -0.061 61.881 62.100 -0.264 0.000 1.174 205 T CB -0.646 67.988 68.868 -0.390 0.000 1.240 205 T HN 0.205 nan 8.240 nan 0.000 0.350 206 F N 3.163 123.182 119.950 0.115 0.000 2.590 206 F HA 0.381 4.909 4.527 0.002 0.000 0.389 206 F C 1.691 177.456 175.800 -0.058 0.000 1.049 206 F CA 0.141 58.168 58.000 0.045 0.000 1.199 206 F CB 0.368 39.434 39.000 0.110 0.000 1.058 206 F HN 0.287 nan 8.300 nan 0.000 0.556 207 Q N 2.049 121.829 119.800 -0.033 0.000 1.907 207 Q HA 0.126 4.467 4.340 0.002 0.000 0.195 207 Q C 0.458 176.271 176.000 -0.312 0.000 0.742 207 Q CA 0.084 55.732 55.803 -0.259 0.000 0.877 207 Q CB 0.733 28.934 28.738 -0.895 0.000 1.216 207 Q HN 0.676 nan 8.270 nan 0.000 0.417 208 R N 0.652 120.959 120.500 -0.322 0.000 2.865 208 R HA 0.442 4.783 4.340 0.002 0.000 0.370 208 R C 0.311 176.354 176.300 -0.428 0.000 1.168 208 R CA 0.389 55.951 56.100 -0.897 0.000 1.058 208 R CB 1.182 31.165 30.300 -0.527 0.000 1.419 208 R HN 0.226 nan 8.270 nan 0.000 0.580 209 G N 1.836 110.573 108.800 -0.105 0.000 2.725 209 G HA2 -0.338 3.624 3.960 0.002 0.000 0.220 209 G HA3 -0.338 3.624 3.960 0.002 0.000 0.220 209 G C 0.599 175.560 174.900 0.102 0.000 1.357 209 G CA 0.045 45.204 45.100 0.098 0.000 0.866 209 G HN 0.489 nan 8.290 nan 0.000 0.548 210 E N -0.804 119.411 120.200 0.026 0.000 2.268 210 E HA -0.079 4.272 4.350 0.002 0.000 0.195 210 E C 1.586 178.244 176.600 0.097 0.000 0.995 210 E CA 1.489 57.880 56.400 -0.014 0.000 0.836 210 E CB -0.024 29.573 29.700 -0.172 0.000 0.763 210 E HN 0.421 nan 8.360 nan 0.000 0.491 211 Q N 0.784 120.650 119.800 0.110 0.000 2.246 211 Q HA 0.092 4.433 4.340 0.002 0.000 0.202 211 Q C -0.298 175.791 176.000 0.148 0.000 0.883 211 Q CA 0.141 56.015 55.803 0.118 0.000 0.952 211 Q CB 0.692 29.494 28.738 0.107 0.000 1.078 211 Q HN 0.413 nan 8.270 nan 0.000 0.493 212 E N 2.164 122.471 120.200 0.178 0.000 1.893 212 E HA 0.113 4.464 4.350 0.002 0.000 0.269 212 E C -0.180 176.558 176.600 0.230 0.000 1.129 212 E CA -0.220 56.298 56.400 0.196 0.000 0.904 212 E CB 0.446 30.257 29.700 0.186 0.000 1.077 212 E HN 0.126 nan 8.360 nan 0.000 0.407 213 S N 2.510 118.334 115.700 0.206 0.000 2.617 213 S HA 0.008 4.479 4.470 0.002 0.000 0.255 213 S C 1.263 176.026 174.600 0.273 0.000 1.318 213 S CA -0.027 58.307 58.200 0.223 0.000 0.978 213 S CB 1.106 64.475 63.200 0.281 0.000 0.961 213 S HN 0.463 nan 8.310 nan 0.000 0.582 214 T N 0.154 114.818 114.554 0.184 0.000 2.849 214 T HA -0.101 4.250 4.350 0.002 0.000 0.270 214 T C 0.878 175.465 174.700 -0.188 0.000 1.066 214 T CA 1.657 63.700 62.100 -0.096 0.000 1.130 214 T CB -0.500 68.177 68.868 -0.317 0.000 0.864 214 T HN 0.758 nan 8.240 nan 0.000 0.481 215 W N 1.521 122.848 121.300 0.044 0.000 3.047 215 W HA 0.249 4.910 4.660 0.002 0.000 0.250 215 W C 1.720 178.378 176.519 0.232 0.000 1.314 215 W CA -0.197 57.187 57.345 0.064 0.000 1.540 215 W CB 0.028 29.393 29.460 -0.158 0.000 1.127 215 W HN 0.289 nan 8.180 nan 0.000 0.679 216 E N -0.455 119.934 120.200 0.314 0.000 2.603 216 E HA 0.035 4.386 4.350 0.002 0.000 0.211 216 E C 0.801 177.497 176.600 0.160 0.000 0.995 216 E CA -0.013 56.535 56.400 0.247 0.000 0.990 216 E CB 0.343 30.179 29.700 0.227 0.000 1.036 216 E HN -0.022 nan 8.360 nan 0.000 0.475 217 T N -1.188 113.409 114.554 0.071 0.000 2.849 217 T HA 0.481 4.832 4.350 0.002 0.000 0.284 217 T C 0.300 175.032 174.700 0.053 0.000 1.004 217 T CA -0.496 61.594 62.100 -0.017 0.000 1.021 217 T CB 1.261 69.964 68.868 -0.276 0.000 1.013 217 T HN -0.046 nan 8.240 nan 0.000 0.527 218 I N 2.289 122.936 120.570 0.129 0.000 2.437 218 I HA 0.318 4.490 4.170 0.002 0.000 0.279 218 I C -2.520 173.693 176.117 0.161 0.000 1.028 218 I CA -2.655 58.743 61.300 0.162 0.000 1.142 218 I CB 1.812 39.951 38.000 0.232 0.000 1.266 218 I HN 0.415 nan 8.210 nan 0.000 0.461 219 P HA 0.078 nan 4.420 nan 0.000 0.266 219 P C -1.072 175.975 177.300 -0.420 0.000 1.195 219 P CA 0.446 63.322 63.100 -0.373 0.000 0.768 219 P CB 0.380 31.593 31.700 -0.811 0.000 0.838 220 H N 0.428 119.071 119.070 -0.711 0.000 3.064 220 H HA 0.407 4.964 4.556 0.002 0.000 0.352 220 H C -3.302 171.412 175.328 -1.024 0.000 1.260 220 H CA -2.654 52.576 56.048 -1.364 0.000 1.160 220 H CB 1.072 30.169 29.762 -1.108 0.000 1.879 220 H HN 0.122 nan 8.280 nan 0.000 0.544 221 P HA 0.137 nan 4.420 nan 0.000 0.279 221 P C 0.396 177.584 177.300 -0.188 0.000 1.239 221 P CA -0.324 62.455 63.100 -0.535 0.000 0.789 221 P CB 1.514 32.978 31.700 -0.392 0.000 0.933 222 S N 1.983 117.617 115.700 -0.111 0.000 2.399 222 S HA -0.024 4.448 4.470 0.002 0.000 0.231 222 S C 1.185 175.731 174.600 -0.091 0.000 1.022 222 S CA 0.873 58.991 58.200 -0.136 0.000 0.983 222 S CB -0.477 62.569 63.200 -0.257 0.000 0.803 222 S HN 0.481 nan 8.310 nan 0.000 0.480 223 I N 2.519 123.098 120.570 0.014 0.000 2.282 223 I HA 0.220 4.391 4.170 0.002 0.000 0.290 223 I C -0.187 175.979 176.117 0.082 0.000 1.090 223 I CA -0.352 60.987 61.300 0.065 0.000 1.231 223 I CB 0.769 38.835 38.000 0.110 0.000 1.434 223 I HN 0.012 nan 8.210 nan 0.000 0.487 224 E N 6.060 126.313 120.200 0.088 0.000 2.044 224 E HA 0.166 4.517 4.350 0.002 0.000 0.282 224 E C -0.098 176.504 176.600 0.002 0.000 1.031 224 E CA 0.108 56.590 56.400 0.137 0.000 0.824 224 E CB 0.669 30.511 29.700 0.237 0.000 1.076 224 E HN 0.493 nan 8.360 nan 0.000 0.395 225 E N 4.098 124.312 120.200 0.023 0.000 2.693 225 E HA 0.132 4.483 4.350 0.002 0.000 0.214 225 E C -0.570 176.006 176.600 -0.040 0.000 0.990 225 E CA -0.185 56.130 56.400 -0.142 0.000 1.047 225 E CB 0.155 29.832 29.700 -0.038 0.000 1.039 225 E HN 0.581 nan 8.360 nan 0.000 0.475 226 F N -1.453 118.555 119.950 0.097 0.000 2.914 226 F HA -0.320 4.208 4.527 0.002 0.000 0.304 226 F C 1.758 177.540 175.800 -0.029 0.000 0.712 226 F CA 1.082 59.107 58.000 0.043 0.000 1.211 226 F CB -2.240 36.773 39.000 0.023 0.000 1.515 226 F HN 0.227 nan 8.300 nan 0.000 0.350 227 K N -0.718 119.738 120.400 0.094 0.000 2.103 227 K HA 0.098 4.419 4.320 0.002 0.000 0.204 227 K C 0.665 177.019 176.600 -0.411 0.000 1.052 227 K CA 1.907 58.046 56.287 -0.246 0.000 0.945 227 K CB -0.337 31.900 32.500 -0.438 0.000 0.722 227 K HN 0.430 nan 8.250 nan 0.000 0.443 228 Y N -2.356 118.111 120.300 0.278 0.000 2.686 228 Y HA 0.488 5.039 4.550 0.002 0.000 0.330 228 Y C 1.562 177.500 175.900 0.063 0.000 1.082 228 Y CA -0.638 57.630 58.100 0.279 0.000 1.158 228 Y CB 1.847 40.651 38.460 0.573 0.000 1.333 228 Y HN 0.488 nan 8.280 nan 0.000 0.519 229 G N -0.006 108.804 108.800 0.017 0.000 2.498 229 G HA2 0.019 3.980 3.960 0.002 0.000 0.251 229 G HA3 0.019 3.980 3.960 0.002 0.000 0.251 229 G C 0.183 174.849 174.900 -0.390 0.000 1.170 229 G CA -0.365 44.348 45.100 -0.645 0.000 0.944 229 G HN 1.216 nan 8.290 nan 0.000 0.567 230 G N -0.581 107.905 108.800 -0.523 0.000 2.606 230 G HA2 0.658 4.619 3.960 0.002 0.000 0.262 230 G HA3 0.658 4.619 3.960 0.002 0.000 0.262 230 G C -0.983 173.628 174.900 -0.481 0.000 1.394 230 G CA 0.342 45.035 45.100 -0.678 0.000 1.044 230 G HN 0.608 nan 8.290 nan 0.000 0.553 231 P HA -0.019 nan 4.420 nan 0.000 0.222 231 P C 0.667 177.582 177.300 -0.641 0.000 1.147 231 P CA 0.848 63.690 63.100 -0.430 0.000 0.790 231 P CB 0.249 31.726 31.700 -0.372 0.000 0.780 232 N N -0.652 117.613 118.700 -0.724 0.000 2.380 232 N HA 0.159 4.900 4.740 0.002 0.000 0.255 232 N C 1.218 176.356 175.510 -0.621 0.000 1.158 232 N CA 0.661 53.059 53.050 -1.086 0.000 0.878 232 N CB 0.493 38.448 38.487 -0.887 0.000 1.138 232 N HN 0.071 nan 8.380 nan 0.000 0.509 233 G N 1.841 110.451 108.800 -0.317 0.000 2.629 233 G HA2 -0.373 3.588 3.960 0.002 0.000 0.313 233 G HA3 -0.373 3.588 3.960 0.002 0.000 0.313 233 G C 0.372 175.195 174.900 -0.128 0.000 1.217 233 G CA 0.497 45.611 45.100 0.023 0.000 0.994 233 G HN 0.310 nan 8.290 nan 0.000 0.549 234 F N 1.163 121.207 119.950 0.158 0.000 2.721 234 F HA 0.428 4.956 4.527 0.002 0.000 0.301 234 F C 2.541 178.259 175.800 -0.135 0.000 1.096 234 F CA 0.349 58.360 58.000 0.017 0.000 1.308 234 F CB -0.073 38.934 39.000 0.012 0.000 1.086 234 F HN 0.214 nan 8.300 nan 0.000 0.587 235 L N 0.599 121.921 121.223 0.165 0.000 2.021 235 L HA -0.262 4.080 4.340 0.002 0.000 0.215 235 L C 1.790 178.670 176.870 0.016 0.000 1.074 235 L CA 1.817 56.764 54.840 0.178 0.000 0.760 235 L CB -0.615 41.626 42.059 0.305 0.000 0.889 235 L HN 0.212 nan 8.230 nan 0.000 0.433 236 D N -0.650 119.650 120.400 -0.167 0.000 2.319 236 D HA -0.036 4.605 4.640 0.002 0.000 0.230 236 D C 1.782 177.955 176.300 -0.213 0.000 1.094 236 D CA 0.270 54.191 54.000 -0.132 0.000 0.856 236 D CB -0.266 40.344 40.800 -0.317 0.000 0.915 236 D HN 0.323 nan 8.370 nan 0.000 0.517 237 L N -1.216 119.651 121.223 -0.593 0.000 2.341 237 L HA 0.066 4.408 4.340 0.002 0.000 0.214 237 L C 1.222 177.771 176.870 -0.537 0.000 1.115 237 L CA 0.668 54.946 54.840 -0.937 0.000 0.820 237 L CB -0.150 40.962 42.059 -1.578 0.000 0.944 237 L HN -0.027 nan 8.230 nan 0.000 0.452 238 F N -1.767 118.203 119.950 0.035 0.000 2.549 238 F HA 0.156 4.684 4.527 0.002 0.000 0.275 238 F C 1.216 177.154 175.800 0.230 0.000 0.990 238 F CA -0.171 57.904 58.000 0.125 0.000 1.274 238 F CB -0.222 38.785 39.000 0.013 0.000 1.064 238 F HN -0.157 nan 8.300 nan 0.000 0.715 239 T N -0.594 114.163 114.554 0.340 0.000 2.886 239 T HA 0.420 4.771 4.350 0.002 0.000 0.292 239 T C -1.020 173.847 174.700 0.278 0.000 1.012 239 T CA -0.824 61.434 62.100 0.263 0.000 0.982 239 T CB 2.372 71.345 68.868 0.176 0.000 1.018 239 T HN 0.068 nan 8.240 nan 0.000 0.451 240 K N 2.714 123.247 120.400 0.222 0.000 2.211 240 K HA 0.418 4.740 4.320 0.002 0.000 0.275 240 K C -1.124 175.566 176.600 0.148 0.000 1.024 240 K CA -0.550 55.891 56.287 0.257 0.000 0.887 240 K CB 0.865 33.480 32.500 0.191 0.000 1.084 240 K HN 0.726 nan 8.250 nan 0.000 0.463 241 D N 2.589 123.003 120.400 0.023 0.000 2.477 241 D HA 0.283 4.924 4.640 0.002 0.000 0.234 241 D C 0.684 176.818 176.300 -0.277 0.000 1.048 241 D CA -0.523 53.363 54.000 -0.190 0.000 0.959 241 D CB 1.604 42.127 40.800 -0.462 0.000 1.408 241 D HN 0.526 nan 8.370 nan 0.000 0.496 242 R N -0.075 120.309 120.500 -0.192 0.000 2.073 242 R HA -0.010 4.331 4.340 0.002 0.000 0.234 242 R C 0.810 176.946 176.300 -0.274 0.000 1.134 242 R CA 1.144 57.116 56.100 -0.214 0.000 0.952 242 R CB -0.082 30.050 30.300 -0.280 0.000 0.850 242 R HN 0.487 nan 8.270 nan 0.000 0.433 243 S N -1.872 113.597 115.700 -0.384 0.000 2.697 243 S HA 0.480 4.951 4.470 0.002 0.000 0.289 243 S C -1.324 172.959 174.600 -0.529 0.000 1.149 243 S CA -1.036 56.965 58.200 -0.331 0.000 0.850 243 S CB 1.235 64.354 63.200 -0.135 0.000 1.151 243 S HN 0.101 nan 8.310 nan 0.000 0.491 244 Y N 0.072 120.428 120.300 0.092 0.000 2.331 244 Y HA 0.728 5.279 4.550 0.002 0.000 0.334 244 Y C 0.281 176.405 175.900 0.374 0.000 0.960 244 Y CA -0.630 57.590 58.100 0.200 0.000 1.130 244 Y CB 1.913 40.444 38.460 0.119 0.000 1.164 244 Y HN 1.060 nan 8.280 nan 0.000 0.458 245 A N 3.557 126.680 122.820 0.505 0.000 2.355 245 A HA 0.640 4.961 4.320 0.002 0.000 0.324 245 A C -0.666 177.127 177.584 0.348 0.000 1.117 245 A CA -1.196 51.104 52.037 0.439 0.000 0.785 245 A CB 0.834 20.071 19.000 0.396 0.000 1.254 245 A HN 0.774 nan 8.150 nan 0.000 0.453 246 K N 1.154 121.514 120.400 -0.067 0.000 2.485 246 K HA 0.277 4.598 4.320 0.002 0.000 0.277 246 K C 0.005 176.620 176.600 0.025 0.000 0.990 246 K CA 0.548 56.651 56.287 -0.306 0.000 0.994 246 K CB 0.179 32.435 32.500 -0.407 0.000 0.906 246 K HN 0.835 nan 8.250 nan 0.000 0.488 247 Q N 2.050 121.868 119.800 0.029 0.000 2.633 247 Q HA 0.420 4.761 4.340 0.002 0.000 0.289 247 Q C -1.529 174.471 176.000 0.001 0.000 0.940 247 Q CA -1.214 54.586 55.803 -0.005 0.000 0.785 247 Q CB 1.117 29.937 28.738 0.137 0.000 1.467 247 Q HN 0.708 nan 8.270 nan 0.000 0.401 248 W N 0.482 121.656 121.300 -0.209 0.000 2.706 248 W HA 0.851 5.513 4.660 0.002 0.000 0.346 248 W C -1.169 175.048 176.519 -0.504 0.000 1.071 248 W CA -0.909 56.203 57.345 -0.387 0.000 1.206 248 W CB 1.688 30.860 29.460 -0.480 0.000 1.413 248 W HN 0.812 nan 8.180 nan 0.000 0.542 249 R N 2.465 122.617 120.500 -0.580 0.000 2.515 249 R HA 0.352 4.694 4.340 0.002 0.000 0.278 249 R C -2.145 173.610 176.300 -0.908 0.000 1.107 249 R CA -0.419 55.314 56.100 -0.612 0.000 0.945 249 R CB 1.747 31.996 30.300 -0.086 0.000 1.219 249 R HN 0.585 nan 8.270 nan 0.000 0.434 250 Y N 0.476 120.361 120.300 -0.692 0.000 2.562 250 Y HA 0.567 5.119 4.550 0.002 0.000 0.343 250 Y C 0.037 175.768 175.900 -0.283 0.000 1.025 250 Y CA -0.782 56.884 58.100 -0.723 0.000 1.082 250 Y CB 2.707 40.337 38.460 -1.383 0.000 1.264 250 Y HN 0.380 nan 8.280 nan 0.000 0.478 251 T N 2.673 117.500 114.554 0.454 0.000 3.109 251 T HA 0.251 4.603 4.350 0.002 0.000 0.311 251 T C -0.958 174.003 174.700 0.435 0.000 1.011 251 T CA -1.127 61.224 62.100 0.417 0.000 1.026 251 T CB 0.782 69.836 68.868 0.309 0.000 1.047 251 T HN 0.696 nan 8.240 nan 0.000 0.448 252 N N 1.425 120.394 118.700 0.448 0.000 2.476 252 N HA 0.699 5.440 4.740 0.002 0.000 0.276 252 N C -1.058 174.567 175.510 0.191 0.000 1.204 252 N CA -0.988 52.254 53.050 0.319 0.000 0.974 252 N CB 1.470 40.135 38.487 0.297 0.000 1.204 252 N HN 0.643 nan 8.380 nan 0.000 0.543 253 A N 0.794 123.663 122.820 0.083 0.000 2.646 253 A HA 0.439 4.761 4.320 0.002 0.000 0.312 253 A C -1.946 175.523 177.584 -0.192 0.000 1.245 253 A CA -1.251 50.721 52.037 -0.108 0.000 0.755 253 A CB 1.179 20.088 19.000 -0.151 0.000 1.132 253 A HN 0.661 nan 8.150 nan 0.000 0.458 254 P HA -0.156 nan 4.420 nan 0.000 0.228 254 P C 0.677 177.856 177.300 -0.201 0.000 1.151 254 P CA 1.299 64.347 63.100 -0.086 0.000 0.770 254 P CB 0.149 31.868 31.700 0.031 0.000 0.786 255 D N 0.455 120.559 120.400 -0.493 0.000 2.219 255 D HA -0.124 4.518 4.640 0.002 0.000 0.205 255 D C 1.786 177.893 176.300 -0.321 0.000 0.970 255 D CA 1.196 54.916 54.000 -0.467 0.000 0.851 255 D CB -0.829 39.516 40.800 -0.758 0.000 0.943 255 D HN 0.115 nan 8.370 nan 0.000 0.488 256 A N 1.109 123.771 122.820 -0.262 0.000 1.858 256 A HA -0.199 4.122 4.320 0.002 0.000 0.216 256 A C 2.194 179.714 177.584 -0.106 0.000 1.190 256 A CA 1.772 53.722 52.037 -0.144 0.000 0.617 256 A CB -0.683 18.296 19.000 -0.036 0.000 0.827 256 A HN 0.165 nan 8.150 nan 0.000 0.443 257 E N -0.307 119.850 120.200 -0.071 0.000 2.077 257 E HA -0.050 4.301 4.350 0.002 0.000 0.193 257 E C 2.099 178.684 176.600 -0.024 0.000 0.989 257 E CA 1.198 57.587 56.400 -0.018 0.000 0.800 257 E CB -0.565 29.154 29.700 0.032 0.000 0.746 257 E HN 0.567 nan 8.360 nan 0.000 0.452 258 G N 0.560 109.319 108.800 -0.068 0.000 2.421 258 G HA2 -0.343 3.618 3.960 0.002 0.000 0.216 258 G HA3 -0.343 3.618 3.960 0.002 0.000 0.216 258 G C 1.577 176.390 174.900 -0.145 0.000 1.171 258 G CA 0.879 45.925 45.100 -0.089 0.000 0.775 258 G HN 0.157 nan 8.290 nan 0.000 0.543 259 R N 0.526 120.890 120.500 -0.227 0.000 2.075 259 R HA 0.052 4.393 4.340 0.002 0.000 0.232 259 R C 2.866 178.996 176.300 -0.284 0.000 1.126 259 R CA 1.403 57.271 56.100 -0.386 0.000 0.963 259 R CB -0.381 29.594 30.300 -0.541 0.000 0.858 259 R HN 0.283 nan 8.270 nan 0.000 0.435 260 A N 1.091 123.852 122.820 -0.098 0.000 1.883 260 A HA -0.157 4.164 4.320 0.002 0.000 0.217 260 A C 2.129 179.837 177.584 0.207 0.000 1.186 260 A CA 1.528 53.627 52.037 0.104 0.000 0.624 260 A CB -0.494 18.583 19.000 0.127 0.000 0.822 260 A HN 0.363 nan 8.150 nan 0.000 0.444 261 I N -0.616 120.027 120.570 0.122 0.000 2.252 261 I HA -0.288 3.884 4.170 0.002 0.000 0.245 261 I C 2.749 178.823 176.117 -0.073 0.000 1.102 261 I CA 1.639 62.972 61.300 0.055 0.000 1.385 261 I CB -0.367 37.604 38.000 -0.048 0.000 1.064 261 I HN 0.546 nan 8.210 nan 0.000 0.414 262 Q N 1.429 121.182 119.800 -0.078 0.000 2.045 262 Q HA -0.291 4.050 4.340 0.002 0.000 0.206 262 Q C 2.355 178.434 176.000 0.131 0.000 0.991 262 Q CA 2.383 58.210 55.803 0.041 0.000 0.851 262 Q CB -0.191 28.524 28.738 -0.039 0.000 0.911 262 Q HN 0.538 nan 8.270 nan 0.000 0.418 263 A N 0.040 122.853 122.820 -0.013 0.000 1.908 263 A HA -0.164 4.157 4.320 0.002 0.000 0.218 263 A C 2.210 179.991 177.584 0.328 0.000 1.181 263 A CA 1.790 53.943 52.037 0.193 0.000 0.627 263 A CB -0.803 18.318 19.000 0.201 0.000 0.818 263 A HN 0.342 nan 8.150 nan 0.000 0.445 264 V N -1.371 118.691 119.914 0.246 0.000 2.626 264 V HA -0.240 3.882 4.120 0.002 0.000 0.252 264 V C 2.279 178.495 176.094 0.204 0.000 1.067 264 V CA 1.793 64.234 62.300 0.234 0.000 1.081 264 V CB -1.095 30.845 31.823 0.194 0.000 0.686 264 V HN 0.736 nan 8.190 nan 0.000 0.468 265 Y N -0.086 120.131 120.300 -0.138 0.000 2.145 265 Y HA -0.272 4.279 4.550 0.002 0.000 0.286 265 Y C 2.155 177.821 175.900 -0.390 0.000 1.145 265 Y CA 1.798 59.656 58.100 -0.402 0.000 1.148 265 Y CB -0.358 37.639 38.460 -0.772 0.000 0.981 265 Y HN 0.280 nan 8.280 nan 0.000 0.507 266 W N 0.136 121.356 121.300 -0.134 0.000 2.381 266 W HA -0.111 4.550 4.660 0.002 0.000 0.301 266 W C 2.734 178.890 176.519 -0.605 0.000 1.205 266 W CA 1.417 58.315 57.345 -0.744 0.000 1.285 266 W CB -0.720 28.169 29.460 -0.952 0.000 1.133 266 W HN 0.161 nan 8.180 nan 0.000 0.521 267 A N 0.454 123.353 122.820 0.132 0.000 1.883 267 A HA -0.301 4.020 4.320 0.002 0.000 0.217 267 A C 1.945 179.392 177.584 -0.228 0.000 1.186 267 A CA 2.060 54.232 52.037 0.225 0.000 0.624 267 A CB -1.232 17.952 19.000 0.306 0.000 0.822 267 A HN 0.478 nan 8.150 nan 0.000 0.444 268 N N -0.376 118.184 118.700 -0.233 0.000 2.120 268 N HA -0.206 4.535 4.740 0.002 0.000 0.188 268 N C 1.915 177.214 175.510 -0.352 0.000 1.024 268 N CA 1.738 54.599 53.050 -0.315 0.000 0.852 268 N CB -0.179 38.179 38.487 -0.215 0.000 1.003 268 N HN 0.613 nan 8.380 nan 0.000 0.424 269 K N -0.064 120.041 120.400 -0.491 0.000 2.026 269 K HA -0.141 4.180 4.320 0.002 0.000 0.208 269 K C 1.955 178.507 176.600 -0.081 0.000 1.048 269 K CA 1.409 57.445 56.287 -0.418 0.000 0.929 269 K CB -0.188 31.915 32.500 -0.662 0.000 0.713 269 K HN 0.234 nan 8.250 nan 0.000 0.439 270 W N 0.421 121.746 121.300 0.041 0.000 2.409 270 W HA 0.094 4.755 4.660 0.002 0.000 0.299 270 W C 2.378 178.930 176.519 0.055 0.000 1.203 270 W CA 0.710 58.142 57.345 0.146 0.000 1.298 270 W CB -1.044 28.639 29.460 0.372 0.000 1.127 270 W HN 0.274 nan 8.180 nan 0.000 0.528 271 A N 0.661 123.408 122.820 -0.122 0.000 1.908 271 A HA -0.236 4.085 4.320 0.002 0.000 0.218 271 A C 2.006 179.493 177.584 -0.161 0.000 1.181 271 A CA 2.311 54.068 52.037 -0.468 0.000 0.627 271 A CB -0.684 17.624 19.000 -1.154 0.000 0.818 271 A HN 0.145 nan 8.150 nan 0.000 0.445 272 K N -0.103 120.213 120.400 -0.141 0.000 2.097 272 K HA -0.093 4.228 4.320 0.002 0.000 0.206 272 K C 1.882 178.478 176.600 -0.006 0.000 1.049 272 K CA 1.576 57.812 56.287 -0.084 0.000 0.933 272 K CB -0.195 32.242 32.500 -0.105 0.000 0.717 272 K HN 0.653 nan 8.250 nan 0.000 0.442 273 E N 0.042 120.276 120.200 0.057 0.000 2.204 273 E HA -0.198 4.153 4.350 0.002 0.000 0.195 273 E C 1.325 177.970 176.600 0.074 0.000 0.990 273 E CA 1.018 57.468 56.400 0.084 0.000 0.821 273 E CB 0.084 29.875 29.700 0.152 0.000 0.750 273 E HN 0.367 nan 8.360 nan 0.000 0.477 274 Q N -0.851 119.008 119.800 0.098 0.000 2.320 274 Q HA 0.114 4.456 4.340 0.002 0.000 0.201 274 Q C 0.826 176.864 176.000 0.064 0.000 0.910 274 Q CA 0.320 56.183 55.803 0.101 0.000 0.946 274 Q CB 0.955 29.811 28.738 0.197 0.000 1.062 274 Q HN 0.354 nan 8.270 nan 0.000 0.503 275 G N 1.923 110.740 108.800 0.028 0.000 2.168 275 G HA2 -0.318 3.643 3.960 0.002 0.000 0.257 275 G HA3 -0.318 3.643 3.960 0.002 0.000 0.257 275 G C 0.311 175.209 174.900 -0.004 0.000 0.997 275 G CA 0.449 45.552 45.100 0.005 0.000 0.708 275 G HN 0.328 nan 8.290 nan 0.000 0.520 276 K N 0.220 120.612 120.400 -0.014 0.000 2.861 276 K HA 0.372 4.694 4.320 0.002 0.000 0.210 276 K C 1.544 178.045 176.600 -0.164 0.000 1.112 276 K CA 0.084 56.345 56.287 -0.043 0.000 1.076 276 K CB 0.798 33.327 32.500 0.049 0.000 0.853 276 K HN 0.248 nan 8.250 nan 0.000 0.463 277 G N 1.463 110.176 108.800 -0.145 0.000 3.318 277 G HA2 -0.111 3.850 3.960 0.002 0.000 0.230 277 G HA3 -0.111 3.850 3.960 0.002 0.000 0.230 277 G C 0.757 175.542 174.900 -0.193 0.000 1.317 277 G CA 0.277 45.260 45.100 -0.195 0.000 1.197 277 G HN 0.354 nan 8.290 nan 0.000 0.514 278 S N -2.649 112.944 115.700 -0.178 0.000 2.911 278 S HA 0.439 4.910 4.470 0.002 0.000 0.261 278 S C 1.736 176.257 174.600 -0.133 0.000 1.021 278 S CA 0.823 58.932 58.200 -0.151 0.000 1.222 278 S CB 0.393 63.531 63.200 -0.105 0.000 1.171 278 S HN 0.380 nan 8.310 nan 0.000 0.669 279 A N 1.698 124.422 122.820 -0.160 0.000 2.066 279 A HA 0.286 4.607 4.320 0.002 0.000 0.218 279 A C 1.811 179.352 177.584 -0.071 0.000 1.157 279 A CA 1.433 53.426 52.037 -0.074 0.000 0.670 279 A CB -0.532 18.459 19.000 -0.016 0.000 0.804 279 A HN 1.339 nan 8.150 nan 0.000 0.453 280 V N -4.799 115.007 119.914 -0.180 0.000 3.276 280 V HA 0.595 4.716 4.120 0.002 0.000 0.319 280 V C 1.706 177.677 176.094 -0.205 0.000 1.427 280 V CA 0.393 62.601 62.300 -0.154 0.000 1.102 280 V CB -0.638 31.077 31.823 -0.181 0.000 1.020 280 V HN 0.358 nan 8.190 nan 0.000 0.456 281 A N 2.288 124.988 122.820 -0.200 0.000 1.908 281 A HA -0.182 4.140 4.320 0.002 0.000 0.218 281 A C 2.511 179.948 177.584 -0.244 0.000 1.181 281 A CA 2.718 54.617 52.037 -0.230 0.000 0.627 281 A CB -0.831 18.059 19.000 -0.184 0.000 0.818 281 A HN 1.060 nan 8.150 nan 0.000 0.445 282 S N -0.782 114.802 115.700 -0.193 0.000 2.414 282 S HA -0.054 4.417 4.470 0.002 0.000 0.227 282 S C 1.718 176.144 174.600 -0.290 0.000 1.022 282 S CA 1.125 59.208 58.200 -0.196 0.000 0.958 282 S CB -0.706 62.422 63.200 -0.119 0.000 0.797 282 S HN 0.236 nan 8.310 nan 0.000 0.493 283 V N 1.930 121.646 119.914 -0.330 0.000 2.343 283 V HA -0.139 3.982 4.120 0.002 0.000 0.247 283 V C 2.678 178.377 176.094 -0.658 0.000 1.051 283 V CA 1.672 63.619 62.300 -0.587 0.000 1.036 283 V CB -0.849 30.739 31.823 -0.391 0.000 0.654 283 V HN 0.461 nan 8.190 nan 0.000 0.451 284 V N -0.021 119.603 119.914 -0.483 0.000 2.287 284 V HA -0.275 3.846 4.120 0.002 0.000 0.248 284 V C 2.715 178.467 176.094 -0.571 0.000 1.053 284 V CA 2.446 64.390 62.300 -0.594 0.000 1.027 284 V CB -0.793 30.619 31.823 -0.686 0.000 0.646 284 V HN 0.671 nan 8.190 nan 0.000 0.447 285 S N -0.330 115.112 115.700 -0.431 0.000 2.368 285 S HA -0.260 4.211 4.470 0.002 0.000 0.225 285 S C 2.034 176.478 174.600 -0.260 0.000 1.030 285 S CA 1.932 59.945 58.200 -0.311 0.000 0.999 285 S CB -0.230 62.831 63.200 -0.232 0.000 0.844 285 S HN 0.661 nan 8.310 nan 0.000 0.459 286 K N 0.990 121.198 120.400 -0.320 0.000 2.057 286 K HA 0.125 4.446 4.320 0.002 0.000 0.206 286 K C 2.506 179.075 176.600 -0.053 0.000 1.050 286 K CA 1.121 57.269 56.287 -0.232 0.000 0.935 286 K CB -0.450 31.939 32.500 -0.185 0.000 0.715 286 K HN 0.441 nan 8.250 nan 0.000 0.439 287 A N 1.611 124.259 122.820 -0.287 0.000 1.933 287 A HA -0.131 4.190 4.320 0.002 0.000 0.218 287 A C 2.383 180.059 177.584 0.154 0.000 1.175 287 A CA 1.843 53.884 52.037 0.006 0.000 0.628 287 A CB -0.740 18.230 19.000 -0.051 0.000 0.814 287 A HN 0.329 nan 8.150 nan 0.000 0.444 288 A N -0.017 122.833 122.820 0.050 0.000 1.902 288 A HA -0.176 4.146 4.320 0.002 0.000 0.217 288 A C 2.130 179.773 177.584 0.098 0.000 1.181 288 A CA 2.056 54.141 52.037 0.080 0.000 0.623 288 A CB -0.431 18.536 19.000 -0.055 0.000 0.818 288 A HN 0.607 nan 8.150 nan 0.000 0.443 289 K N -0.803 119.624 120.400 0.046 0.000 2.025 289 K HA -0.095 4.227 4.320 0.002 0.000 0.207 289 K C 2.149 178.882 176.600 0.221 0.000 1.049 289 K CA 1.538 57.812 56.287 -0.023 0.000 0.933 289 K CB -0.295 31.998 32.500 -0.345 0.000 0.714 289 K HN 0.453 nan 8.250 nan 0.000 0.438 290 M N 0.558 120.377 119.600 0.366 0.000 2.082 290 M HA -0.148 4.333 4.480 0.002 0.000 0.258 290 M C 1.959 178.472 176.300 0.354 0.000 1.069 290 M CA 2.286 57.867 55.300 0.470 0.000 1.102 290 M CB -0.562 32.338 32.600 0.500 0.000 1.336 290 M HN 0.371 nan 8.290 nan 0.000 0.404 291 G N -0.209 108.740 108.800 0.248 0.000 2.440 291 G HA2 -0.293 3.668 3.960 0.002 0.000 0.218 291 G HA3 -0.293 3.668 3.960 0.002 0.000 0.218 291 G C 1.170 176.329 174.900 0.430 0.000 1.154 291 G CA 1.324 46.529 45.100 0.174 0.000 0.767 291 G HN 0.486 nan 8.290 nan 0.000 0.552 292 D N 0.109 120.718 120.400 0.348 0.000 2.117 292 D HA -0.067 4.574 4.640 0.002 0.000 0.197 292 D C 2.175 178.585 176.300 0.182 0.000 0.987 292 D CA 0.490 54.680 54.000 0.318 0.000 0.829 292 D CB -0.283 40.628 40.800 0.185 0.000 0.961 292 D HN 0.310 nan 8.370 nan 0.000 0.460 293 F N 0.021 120.071 119.950 0.167 0.000 2.269 293 F HA -0.111 4.417 4.527 0.002 0.000 0.301 293 F C 2.117 177.989 175.800 0.120 0.000 1.082 293 F CA 0.123 58.173 58.000 0.083 0.000 1.360 293 F CB -0.039 38.955 39.000 -0.010 0.000 1.041 293 F HN 0.018 nan 8.300 nan 0.000 0.512 294 L N 0.128 121.583 121.223 0.387 0.000 2.353 294 L HA -0.150 4.191 4.340 0.002 0.000 0.220 294 L C 2.119 179.126 176.870 0.229 0.000 1.133 294 L CA 1.284 56.340 54.840 0.359 0.000 0.798 294 L CB -1.068 41.319 42.059 0.546 0.000 0.922 294 L HN 0.058 nan 8.230 nan 0.000 0.445 295 R N -0.660 119.926 120.500 0.143 0.000 2.170 295 R HA -0.170 4.171 4.340 0.002 0.000 0.242 295 R C 1.877 178.272 176.300 0.158 0.000 1.145 295 R CA 1.138 57.223 56.100 -0.026 0.000 0.984 295 R CB -0.342 29.957 30.300 -0.002 0.000 0.869 295 R HN 0.474 nan 8.270 nan 0.000 0.455 296 N N 0.842 119.648 118.700 0.176 0.000 2.289 296 N HA -0.145 4.596 4.740 0.002 0.000 0.184 296 N C 0.542 176.176 175.510 0.207 0.000 1.016 296 N CA 1.116 54.291 53.050 0.207 0.000 0.872 296 N CB -0.089 38.476 38.487 0.130 0.000 0.973 296 N HN 0.334 nan 8.380 nan 0.000 0.433 297 D N 0.215 120.700 120.400 0.142 0.000 2.363 297 D HA 0.032 4.673 4.640 0.002 0.000 0.226 297 D C 1.064 177.386 176.300 0.036 0.000 1.020 297 D CA 0.255 54.316 54.000 0.101 0.000 0.892 297 D CB 0.178 41.050 40.800 0.121 0.000 0.900 297 D HN 0.345 nan 8.370 nan 0.000 0.531 298 M N -0.257 119.271 119.600 -0.119 0.000 2.428 298 M HA 0.126 4.607 4.480 0.002 0.000 0.239 298 M C -0.354 175.150 176.300 -1.326 0.000 1.121 298 M CA 0.275 55.241 55.300 -0.556 0.000 1.019 298 M CB 0.417 32.587 32.600 -0.716 0.000 1.485 298 M HN -0.180 nan 8.290 nan 0.000 0.484 299 F N -0.333 119.195 119.950 -0.702 0.000 2.522 299 F HA 0.293 4.821 4.527 0.002 0.000 0.324 299 F C 0.381 175.812 175.800 -0.614 0.000 1.077 299 F CA -1.695 55.868 58.000 -0.728 0.000 0.944 299 F CB 0.831 39.508 39.000 -0.537 0.000 1.175 299 F HN -0.119 nan 8.300 nan 0.000 0.468 300 D N 2.055 122.272 120.400 -0.303 0.000 2.548 300 D HA -0.056 4.585 4.640 0.002 0.000 0.231 300 D C 1.324 177.431 176.300 -0.322 0.000 1.142 300 D CA 0.515 54.432 54.000 -0.139 0.000 0.866 300 D CB 0.866 41.676 40.800 0.017 0.000 1.190 300 D HN 0.599 nan 8.370 nan 0.000 0.469 301 K N 2.009 122.250 120.400 -0.265 0.000 2.032 301 K HA -0.258 4.063 4.320 0.002 0.000 0.218 301 K C 0.448 176.721 176.600 -0.544 0.000 1.054 301 K CA 1.550 57.576 56.287 -0.436 0.000 0.941 301 K CB -0.159 32.059 32.500 -0.471 0.000 0.720 301 K HN 0.604 nan 8.250 nan 0.000 0.449 302 Y N -0.620 119.722 120.300 0.070 0.000 2.751 302 Y HA 0.228 4.779 4.550 0.002 0.000 0.289 302 Y C -0.714 175.305 175.900 0.198 0.000 1.110 302 Y CA -0.694 57.508 58.100 0.170 0.000 1.251 302 Y CB -0.233 38.389 38.460 0.269 0.000 1.178 302 Y HN 0.050 nan 8.280 nan 0.000 0.540 303 F N -1.654 118.395 119.950 0.165 0.000 3.090 303 F HA -0.316 4.213 4.527 0.002 0.000 0.282 303 F C 0.310 176.147 175.800 0.062 0.000 0.923 303 F CA 0.141 58.198 58.000 0.095 0.000 0.977 303 F CB -1.457 37.563 39.000 0.033 0.000 0.954 303 F HN 0.020 nan 8.300 nan 0.000 0.695 304 M N 0.362 120.043 119.600 0.135 0.000 2.255 304 M HA 0.190 4.671 4.480 0.002 0.000 0.336 304 M C 0.780 177.123 176.300 0.070 0.000 1.135 304 M CA -0.413 54.894 55.300 0.012 0.000 1.145 304 M CB 0.934 33.388 32.600 -0.243 0.000 1.473 304 M HN 0.185 nan 8.290 nan 0.000 0.462 305 K N 2.037 122.460 120.400 0.039 0.000 2.448 305 K HA 0.107 4.428 4.320 0.002 0.000 0.278 305 K C -0.521 176.135 176.600 0.092 0.000 1.009 305 K CA -0.331 55.993 56.287 0.062 0.000 0.995 305 K CB 0.451 32.971 32.500 0.034 0.000 0.917 305 K HN 0.435 nan 8.250 nan 0.000 0.481 306 I N 3.950 124.578 120.570 0.098 0.000 2.598 306 I HA -0.000 4.171 4.170 0.002 0.000 0.284 306 I C 1.512 177.705 176.117 0.125 0.000 1.140 306 I CA 1.187 62.564 61.300 0.128 0.000 1.420 306 I CB -0.172 37.894 38.000 0.111 0.000 1.387 306 I HN 1.081 nan 8.210 nan 0.000 0.553 307 G N 5.046 113.944 108.800 0.164 0.000 2.176 307 G HA2 -0.294 3.667 3.960 0.002 0.000 0.253 307 G HA3 -0.294 3.667 3.960 0.002 0.000 0.253 307 G C 1.131 176.045 174.900 0.024 0.000 0.979 307 G CA 0.628 45.800 45.100 0.120 0.000 0.641 307 G HN 0.823 nan 8.290 nan 0.000 0.530 308 A N -0.413 122.432 122.820 0.042 0.000 1.972 308 A HA 0.172 4.493 4.320 0.002 0.000 0.219 308 A C 1.772 179.323 177.584 -0.056 0.000 1.169 308 A CA 2.356 54.390 52.037 -0.005 0.000 0.635 308 A CB -0.393 18.607 19.000 -0.001 0.000 0.810 308 A HN 1.392 nan 8.150 nan 0.000 0.446 309 Q N -1.234 118.528 119.800 -0.065 0.000 2.468 309 Q HA -0.269 4.072 4.340 0.002 0.000 0.256 309 Q C -0.334 175.656 176.000 -0.016 0.000 0.984 309 Q CA 1.065 56.769 55.803 -0.165 0.000 1.110 309 Q CB -1.410 27.067 28.738 -0.434 0.000 1.527 309 Q HN 1.015 nan 8.270 nan 0.000 0.535 310 D N -2.205 118.219 120.400 0.040 0.000 3.145 310 D HA 0.143 4.784 4.640 0.002 0.000 0.345 310 D C -0.817 175.419 176.300 -0.106 0.000 1.391 310 D CA -0.817 53.211 54.000 0.046 0.000 0.930 310 D CB 0.041 40.837 40.800 -0.006 0.000 1.451 310 D HN -0.040 nan 8.370 nan 0.000 0.555 311 K N 0.202 120.476 120.400 -0.209 0.000 2.751 311 K HA 0.327 4.648 4.320 0.002 0.000 0.252 311 K C -0.470 175.956 176.600 -0.289 0.000 1.277 311 K CA -0.079 55.950 56.287 -0.430 0.000 1.226 311 K CB -0.175 32.048 32.500 -0.462 0.000 1.658 311 K HN 0.226 nan 8.250 nan 0.000 0.303 312 T N 3.599 118.019 114.554 -0.224 0.000 2.738 312 T HA 0.200 4.552 4.350 0.002 0.000 0.298 312 T C -2.395 172.238 174.700 -0.111 0.000 0.962 312 T CA -1.841 60.180 62.100 -0.133 0.000 0.972 312 T CB 0.860 69.681 68.868 -0.080 0.000 0.928 312 T HN 0.143 nan 8.240 nan 0.000 0.474 313 P HA 0.390 nan 4.420 nan 0.000 0.271 313 P C -0.858 176.441 177.300 -0.000 0.000 1.216 313 P CA -0.395 62.685 63.100 -0.033 0.000 0.776 313 P CB 0.545 32.224 31.700 -0.035 0.000 0.881 314 A N 1.923 124.769 122.820 0.044 0.000 2.299 314 A HA 0.623 4.944 4.320 0.002 0.000 0.332 314 A C 1.014 178.617 177.584 0.031 0.000 1.131 314 A CA 0.018 52.085 52.037 0.051 0.000 0.844 314 A CB 0.463 19.520 19.000 0.095 0.000 1.251 314 A HN 0.566 nan 8.150 nan 0.000 0.486 315 T N -2.779 111.787 114.554 0.021 0.000 2.978 315 T HA 0.417 4.769 4.350 0.002 0.000 0.248 315 T C 1.048 175.738 174.700 -0.018 0.000 1.018 315 T CA 0.994 63.086 62.100 -0.013 0.000 1.026 315 T CB -0.021 68.840 68.868 -0.013 0.000 1.032 315 T HN 1.034 nan 8.240 nan 0.000 0.485 316 G N 0.032 108.854 108.800 0.037 0.000 3.306 316 G HA2 0.403 4.364 3.960 0.002 0.000 0.202 316 G HA3 0.403 4.364 3.960 0.002 0.000 0.202 316 G C -0.100 174.829 174.900 0.048 0.000 1.673 316 G CA -0.581 44.554 45.100 0.059 0.000 0.776 316 G HN 0.285 nan 8.290 nan 0.000 0.740 317 Y N 1.310 121.685 120.300 0.126 0.000 2.462 317 Y HA 0.152 4.704 4.550 0.002 0.000 0.293 317 Y C 1.864 177.799 175.900 0.059 0.000 1.195 317 Y CA -0.102 58.079 58.100 0.136 0.000 1.276 317 Y CB 0.533 39.064 38.460 0.118 0.000 1.082 317 Y HN 0.178 nan 8.280 nan 0.000 0.514 318 D N -0.589 119.921 120.400 0.183 0.000 2.263 318 D HA -0.141 4.500 4.640 0.002 0.000 0.208 318 D C 1.849 178.204 176.300 0.092 0.000 0.971 318 D CA 1.504 55.577 54.000 0.121 0.000 0.867 318 D CB -0.072 40.786 40.800 0.096 0.000 0.929 318 D HN 0.345 nan 8.370 nan 0.000 0.492 319 S N -0.920 114.854 115.700 0.123 0.000 2.577 319 S HA 0.397 4.869 4.470 0.002 0.000 0.219 319 S C 0.777 175.318 174.600 -0.098 0.000 0.962 319 S CA -0.543 57.722 58.200 0.109 0.000 0.921 319 S CB 0.414 63.772 63.200 0.263 0.000 0.789 319 S HN 0.144 nan 8.310 nan 0.000 0.497 320 A N 2.224 124.841 122.820 -0.339 0.000 2.302 320 A HA 0.547 4.868 4.320 0.002 0.000 0.295 320 A C 0.747 177.858 177.584 -0.787 0.000 1.235 320 A CA -0.569 50.827 52.037 -1.069 0.000 0.876 320 A CB -0.106 17.994 19.000 -1.501 0.000 1.133 320 A HN 0.710 nan 8.150 nan 0.000 0.533 321 H N 0.330 119.073 119.070 -0.546 0.000 2.544 321 H HA 0.144 4.702 4.556 0.002 0.000 0.269 321 H C -0.161 175.027 175.328 -0.234 0.000 0.970 321 H CA 0.433 56.308 56.048 -0.289 0.000 1.219 321 H CB -0.557 29.085 29.762 -0.201 0.000 1.421 321 H HN 0.735 nan 8.280 nan 0.000 0.555 322 Y N -0.846 119.288 120.300 -0.277 0.000 4.668 322 Y HA -0.229 4.322 4.550 0.002 0.000 0.234 322 Y C -0.263 175.551 175.900 -0.143 0.000 1.056 322 Y CA 0.296 58.233 58.100 -0.272 0.000 2.025 322 Y CB -2.217 36.075 38.460 -0.280 0.000 1.613 322 Y HN 0.243 nan 8.280 nan 0.000 0.653 323 L N 0.014 121.321 121.223 0.140 0.000 2.332 323 L HA 0.500 4.841 4.340 0.002 0.000 0.269 323 L C 0.677 177.551 176.870 0.007 0.000 1.016 323 L CA -1.325 53.471 54.840 -0.074 0.000 0.809 323 L CB 0.553 42.335 42.059 -0.462 0.000 1.280 323 L HN -0.121 nan 8.230 nan 0.000 0.447 324 M N 1.959 121.564 119.600 0.009 0.000 2.341 324 M HA 0.240 4.722 4.480 0.002 0.000 0.336 324 M C 0.320 176.639 176.300 0.032 0.000 1.489 324 M CA -0.199 55.146 55.300 0.075 0.000 1.278 324 M CB 0.066 32.743 32.600 0.129 0.000 1.657 324 M HN 0.671 nan 8.290 nan 0.000 0.455 325 A N 4.053 126.890 122.820 0.029 0.000 2.292 325 A HA 0.111 4.432 4.320 0.002 0.000 0.265 325 A C 1.190 178.803 177.584 0.048 0.000 1.133 325 A CA -0.379 51.623 52.037 -0.058 0.000 0.807 325 A CB 0.143 19.092 19.000 -0.086 0.000 1.102 325 A HN 0.986 nan 8.150 nan 0.000 0.502 326 W N -0.772 120.378 121.300 -0.250 0.000 2.342 326 W HA -0.089 4.573 4.660 0.002 0.000 0.297 326 W C -0.166 176.412 176.519 0.098 0.000 1.213 326 W CA 2.535 59.768 57.345 -0.186 0.000 1.251 326 W CB -0.090 29.175 29.460 -0.324 0.000 1.136 326 W HN 0.692 nan 8.180 nan 0.000 0.526 327 Y N -3.294 117.118 120.300 0.187 0.000 2.689 327 Y HA 0.498 5.049 4.550 0.002 0.000 0.333 327 Y C -0.855 175.143 175.900 0.163 0.000 1.208 327 Y CA -1.584 56.606 58.100 0.151 0.000 1.055 327 Y CB 0.344 38.910 38.460 0.176 0.000 1.304 327 Y HN -0.427 nan 8.280 nan 0.000 0.455 328 T N 1.552 116.381 114.554 0.458 0.000 2.855 328 T HA 0.875 5.226 4.350 0.002 0.000 0.281 328 T C -0.687 174.399 174.700 0.644 0.000 1.007 328 T CA -0.301 62.086 62.100 0.479 0.000 1.009 328 T CB 1.433 70.490 68.868 0.314 0.000 0.983 328 T HN 0.991 nan 8.240 nan 0.000 0.455 329 A N 2.394 125.590 122.820 0.627 0.000 2.401 329 A HA 0.910 5.231 4.320 0.002 0.000 0.310 329 A C -1.515 176.336 177.584 0.446 0.000 1.075 329 A CA -1.027 51.333 52.037 0.539 0.000 0.746 329 A CB 1.147 20.419 19.000 0.453 0.000 1.277 329 A HN 1.003 nan 8.150 nan 0.000 0.425 330 W N 0.658 121.769 121.300 -0.315 0.000 3.137 330 W HA 0.766 5.427 4.660 0.002 0.000 0.324 330 W C -0.286 175.466 176.519 -1.278 0.000 1.253 330 W CA -0.344 56.462 57.345 -0.897 0.000 1.183 330 W CB 0.877 30.121 29.460 -0.359 0.000 1.424 330 W HN 1.354 nan 8.180 nan 0.000 0.566 331 G N 0.083 107.662 108.800 -2.036 0.000 2.559 331 G HA2 0.717 4.678 3.960 0.002 0.000 0.291 331 G HA3 0.717 4.678 3.960 0.002 0.000 0.291 331 G C -1.160 172.464 174.900 -2.125 0.000 1.424 331 G CA -0.083 43.669 45.100 -2.248 0.000 0.786 331 G HN 1.561 nan 8.290 nan 0.000 0.485 332 G N -1.838 105.492 108.800 -2.448 0.000 2.548 332 G HA2 0.728 4.689 3.960 0.002 0.000 0.301 332 G HA3 0.728 4.689 3.960 0.002 0.000 0.301 332 G C -0.169 173.658 174.900 -1.788 0.000 1.349 332 G CA 0.336 44.437 45.100 -1.664 0.000 0.792 332 G HN 1.423 nan 8.290 nan 0.000 0.481 333 G N -1.237 106.409 108.800 -1.923 0.000 2.503 333 G HA2 0.488 4.449 3.960 0.002 0.000 0.257 333 G HA3 0.488 4.449 3.960 0.002 0.000 0.257 333 G C 0.634 175.384 174.900 -0.251 0.000 1.214 333 G CA -0.465 43.948 45.100 -1.145 0.000 0.839 333 G HN 0.504 nan 8.290 nan 0.000 0.559 334 I N 1.272 121.822 120.570 -0.033 0.000 2.512 334 I HA 0.074 4.245 4.170 0.002 0.000 0.247 334 I C 2.817 178.955 176.117 0.035 0.000 1.094 334 I CA 1.054 62.388 61.300 0.057 0.000 1.427 334 I CB -0.151 37.880 38.000 0.051 0.000 1.149 334 I HN 0.609 nan 8.210 nan 0.000 0.438 335 G N 0.673 109.505 108.800 0.054 0.000 2.403 335 G HA2 0.158 4.119 3.960 0.002 0.000 0.216 335 G HA3 0.158 4.119 3.960 0.002 0.000 0.216 335 G C 0.654 175.615 174.900 0.101 0.000 1.154 335 G CA 0.737 45.881 45.100 0.075 0.000 0.784 335 G HN 0.434 nan 8.290 nan 0.000 0.538 336 A N -0.790 122.122 122.820 0.152 0.000 2.344 336 A HA 0.718 5.040 4.320 0.002 0.000 0.307 336 A C -0.175 177.494 177.584 0.142 0.000 1.151 336 A CA -0.195 51.966 52.037 0.207 0.000 0.842 336 A CB 1.407 20.617 19.000 0.349 0.000 1.350 336 A HN 0.373 nan 8.150 nan 0.000 0.459 337 S N 1.707 117.529 115.700 0.202 0.000 2.434 337 S HA 0.645 5.116 4.470 0.002 0.000 0.318 337 S C -0.924 173.845 174.600 0.281 0.000 1.062 337 S CA -0.468 57.816 58.200 0.140 0.000 1.116 337 S CB -0.376 62.903 63.200 0.133 0.000 0.977 337 S HN 0.895 nan 8.310 nan 0.000 0.480 338 W N 2.370 123.759 121.300 0.148 0.000 3.146 338 W HA 0.760 5.421 4.660 0.002 0.000 0.319 338 W C -1.506 175.114 176.519 0.169 0.000 1.258 338 W CA -1.194 56.240 57.345 0.150 0.000 1.189 338 W CB 0.879 30.422 29.460 0.138 0.000 1.412 338 W HN 0.703 nan 8.180 nan 0.000 0.567 339 A N 2.126 125.229 122.820 0.472 0.000 2.604 339 A HA 0.885 5.207 4.320 0.002 0.000 0.295 339 A C -1.670 176.246 177.584 0.552 0.000 1.067 339 A CA -0.774 51.448 52.037 0.307 0.000 0.683 339 A CB 1.674 20.810 19.000 0.226 0.000 1.281 339 A HN 1.081 nan 8.150 nan 0.000 0.407 340 W N 0.780 122.302 121.300 0.370 0.000 3.062 340 W HA 0.830 5.491 4.660 0.002 0.000 0.336 340 W C -1.491 175.265 176.519 0.395 0.000 1.224 340 W CA -0.756 56.850 57.345 0.436 0.000 1.159 340 W CB 1.420 31.078 29.460 0.329 0.000 1.454 340 W HN 0.930 nan 8.180 nan 0.000 0.569 341 K N 2.369 123.233 120.400 0.773 0.000 2.523 341 K HA 0.587 4.908 4.320 0.002 0.000 0.257 341 K C -1.433 175.586 176.600 0.699 0.000 0.932 341 K CA -0.610 55.995 56.287 0.529 0.000 0.812 341 K CB 2.737 35.339 32.500 0.171 0.000 1.326 341 K HN 0.639 nan 8.250 nan 0.000 0.433 342 I N 0.204 121.121 120.570 0.579 0.000 2.608 342 I HA 0.642 4.813 4.170 0.002 0.000 0.295 342 I C 0.203 176.420 176.117 0.165 0.000 1.049 342 I CA -0.810 60.673 61.300 0.304 0.000 1.063 342 I CB 2.104 40.223 38.000 0.199 0.000 1.248 342 I HN 0.665 nan 8.210 nan 0.000 0.424 343 G N 2.940 111.654 108.800 -0.143 0.000 2.735 343 G HA2 0.455 4.416 3.960 0.002 0.000 0.192 343 G HA3 0.455 4.416 3.960 0.002 0.000 0.192 343 G C -0.936 173.822 174.900 -0.237 0.000 1.547 343 G CA -0.347 44.663 45.100 -0.150 0.000 1.080 343 G HN 0.854 nan 8.290 nan 0.000 0.569 344 C N -1.951 117.154 119.300 -0.324 0.000 2.985 344 C HA 0.633 5.094 4.460 0.002 0.000 0.332 344 C C 1.268 176.043 174.990 -0.359 0.000 1.164 344 C CA -0.209 58.481 59.018 -0.547 0.000 1.347 344 C CB 1.087 28.259 27.740 -0.946 0.000 1.764 344 C HN 0.552 nan 8.230 nan 0.000 0.489 345 S N 1.794 117.159 115.700 -0.558 0.000 2.558 345 S HA 0.153 4.624 4.470 0.002 0.000 0.217 345 S C 0.197 174.557 174.600 -0.400 0.000 0.975 345 S CA 0.284 58.249 58.200 -0.392 0.000 0.912 345 S CB -0.300 62.654 63.200 -0.409 0.000 0.776 345 S HN 0.804 nan 8.310 nan 0.000 0.526 346 H N 1.177 120.085 119.070 -0.270 0.000 2.459 346 H HA 0.720 5.277 4.556 0.002 0.000 0.332 346 H C -0.317 174.847 175.328 -0.273 0.000 1.094 346 H CA -0.984 54.888 56.048 -0.293 0.000 1.224 346 H CB 1.148 30.691 29.762 -0.365 0.000 1.449 346 H HN 0.136 nan 8.280 nan 0.000 0.484 347 A N 3.190 125.931 122.820 -0.131 0.000 2.374 347 A HA 0.365 4.687 4.320 0.002 0.000 0.305 347 A C -1.134 176.484 177.584 0.057 0.000 1.053 347 A CA -0.627 51.331 52.037 -0.131 0.000 0.726 347 A CB 1.551 20.292 19.000 -0.432 0.000 1.229 347 A HN 0.766 nan 8.150 nan 0.000 0.431 348 H N 2.934 121.993 119.070 -0.018 0.000 2.469 348 H HA 0.373 4.930 4.556 0.002 0.000 0.342 348 H C 0.649 175.972 175.328 -0.009 0.000 1.115 348 H CA -0.862 55.148 56.048 -0.065 0.000 1.204 348 H CB 1.126 30.770 29.762 -0.197 0.000 1.492 348 H HN 0.705 nan 8.280 nan 0.000 0.499 349 F N 3.116 123.112 119.950 0.077 0.000 2.202 349 F HA 0.020 4.548 4.527 0.002 0.000 0.301 349 F C 1.747 177.583 175.800 0.060 0.000 1.082 349 F CA 1.333 59.280 58.000 -0.088 0.000 1.313 349 F CB -0.661 38.049 39.000 -0.485 0.000 1.024 349 F HN 0.514 nan 8.300 nan 0.000 0.495 350 G N -1.324 106.889 108.800 -0.977 0.000 2.559 350 G HA2 -0.211 3.750 3.960 0.002 0.000 0.216 350 G HA3 -0.211 3.750 3.960 0.002 0.000 0.216 350 G C 0.933 175.784 174.900 -0.081 0.000 1.126 350 G CA 0.432 45.027 45.100 -0.841 0.000 0.778 350 G HN 0.483 nan 8.290 nan 0.000 0.543 351 Y N 0.315 120.441 120.300 -0.290 0.000 2.462 351 Y HA 0.264 4.815 4.550 0.002 0.000 0.261 351 Y C 1.136 177.005 175.900 -0.052 0.000 1.146 351 Y CA -0.778 57.217 58.100 -0.176 0.000 1.283 351 Y CB 0.162 38.475 38.460 -0.244 0.000 1.090 351 Y HN 0.104 nan 8.280 nan 0.000 0.526 352 Q N 0.710 120.586 119.800 0.127 0.000 2.394 352 Q HA 0.115 4.456 4.340 0.002 0.000 0.248 352 Q C -0.078 176.056 176.000 0.222 0.000 0.992 352 Q CA 0.181 56.088 55.803 0.174 0.000 0.888 352 Q CB 0.655 29.486 28.738 0.156 0.000 1.257 352 Q HN 0.114 nan 8.270 nan 0.000 0.462 353 N N 1.730 120.565 118.700 0.225 0.000 2.722 353 N HA 0.171 4.913 4.740 0.002 0.000 0.242 353 N C -2.340 173.282 175.510 0.187 0.000 1.398 353 N CA -1.411 51.749 53.050 0.183 0.000 0.755 353 N CB 1.015 39.547 38.487 0.075 0.000 1.268 353 N HN 0.100 nan 8.380 nan 0.000 0.522 354 P HA -0.083 nan 4.420 nan 0.000 0.222 354 P C 1.388 178.739 177.300 0.085 0.000 1.147 354 P CA 0.519 63.707 63.100 0.145 0.000 0.790 354 P CB 0.165 31.856 31.700 -0.015 0.000 0.780 355 F N 1.636 121.584 119.950 -0.003 0.000 2.084 355 F HA -0.143 4.385 4.527 0.002 0.000 0.296 355 F C 2.548 178.293 175.800 -0.092 0.000 1.111 355 F CA 1.560 59.560 58.000 0.001 0.000 1.224 355 F CB -0.794 38.194 39.000 -0.019 0.000 0.991 355 F HN -0.163 nan 8.300 nan 0.000 0.471 356 Q N 0.711 120.418 119.800 -0.153 0.000 2.084 356 Q HA -0.135 4.206 4.340 0.002 0.000 0.202 356 Q C 2.344 178.002 176.000 -0.570 0.000 0.978 356 Q CA 1.817 57.376 55.803 -0.406 0.000 0.844 356 Q CB -1.028 27.544 28.738 -0.277 0.000 0.898 356 Q HN 0.535 nan 8.270 nan 0.000 0.426 357 G N 0.136 108.731 108.800 -0.341 0.000 2.446 357 G HA2 -0.303 3.658 3.960 0.002 0.000 0.217 357 G HA3 -0.303 3.658 3.960 0.002 0.000 0.217 357 G C 1.131 175.882 174.900 -0.250 0.000 1.168 357 G CA 0.827 45.790 45.100 -0.229 0.000 0.771 357 G HN 0.623 nan 8.290 nan 0.000 0.551 358 W N 1.017 121.937 121.300 -0.632 0.000 2.388 358 W HA -0.025 4.636 4.660 0.002 0.000 0.294 358 W C 2.319 178.393 176.519 -0.742 0.000 1.212 358 W CA 1.494 58.246 57.345 -0.988 0.000 1.271 358 W CB -0.229 28.677 29.460 -0.924 0.000 1.126 358 W HN 0.033 nan 8.180 nan 0.000 0.535 359 V N 0.553 119.907 119.914 -0.934 0.000 2.261 359 V HA -0.346 3.775 4.120 0.002 0.000 0.246 359 V C 2.439 178.054 176.094 -0.798 0.000 1.047 359 V CA 2.395 64.023 62.300 -1.120 0.000 1.015 359 V CB -1.427 29.697 31.823 -1.165 0.000 0.642 359 V HN 0.181 nan 8.190 nan 0.000 0.446 360 S N -0.010 115.260 115.700 -0.716 0.000 2.383 360 S HA -0.188 4.284 4.470 0.002 0.000 0.229 360 S C 2.103 176.516 174.600 -0.312 0.000 1.030 360 S CA 1.521 59.386 58.200 -0.559 0.000 1.002 360 S CB -0.438 62.101 63.200 -1.101 0.000 0.829 360 S HN 0.664 nan 8.310 nan 0.000 0.467 361 A N 0.718 123.370 122.820 -0.280 0.000 1.970 361 A HA -0.004 4.317 4.320 0.002 0.000 0.216 361 A C 2.258 179.729 177.584 -0.189 0.000 1.170 361 A CA 1.773 53.782 52.037 -0.046 0.000 0.645 361 A CB -0.497 18.645 19.000 0.236 0.000 0.816 361 A HN 0.614 nan 8.150 nan 0.000 0.447 362 T N -4.818 109.442 114.554 -0.489 0.000 2.964 362 T HA 0.147 4.499 4.350 0.002 0.000 0.250 362 T C 0.422 174.853 174.700 -0.448 0.000 0.982 362 T CA -0.261 61.552 62.100 -0.479 0.000 0.959 362 T CB -0.027 68.416 68.868 -0.708 0.000 1.141 362 T HN 0.152 nan 8.240 nan 0.000 0.494 363 Q N 2.175 121.659 119.800 -0.528 0.000 2.307 363 Q HA 0.375 4.716 4.340 0.002 0.000 0.259 363 Q C 1.158 177.077 176.000 -0.135 0.000 0.998 363 Q CA -0.024 55.590 55.803 -0.315 0.000 0.923 363 Q CB 1.643 30.220 28.738 -0.269 0.000 1.196 363 Q HN 0.354 nan 8.270 nan 0.000 0.416 364 S N 3.295 118.924 115.700 -0.118 0.000 2.381 364 S HA -0.212 4.259 4.470 0.002 0.000 0.230 364 S C 0.817 175.346 174.600 -0.118 0.000 1.052 364 S CA 2.024 60.163 58.200 -0.101 0.000 1.068 364 S CB 0.179 63.323 63.200 -0.094 0.000 0.918 364 S HN 0.565 nan 8.310 nan 0.000 0.448 365 D N -0.198 120.116 120.400 -0.143 0.000 2.264 365 D HA -0.011 4.630 4.640 0.002 0.000 0.208 365 D C 0.838 176.850 176.300 -0.480 0.000 0.966 365 D CA 0.806 54.615 54.000 -0.318 0.000 0.864 365 D CB -0.274 40.266 40.800 -0.434 0.000 0.933 365 D HN 0.531 nan 8.370 nan 0.000 0.499 366 F N 0.566 120.395 119.950 -0.202 0.000 2.639 366 F HA 0.359 4.887 4.527 0.002 0.000 0.302 366 F C 0.999 176.695 175.800 -0.175 0.000 1.097 366 F CA -0.653 57.225 58.000 -0.204 0.000 1.294 366 F CB -0.078 38.767 39.000 -0.259 0.000 1.027 366 F HN -0.243 nan 8.300 nan 0.000 0.550 367 A N 1.495 124.295 122.820 -0.033 0.000 2.548 367 A HA 0.269 4.590 4.320 0.002 0.000 0.247 367 A C -2.104 175.482 177.584 0.004 0.000 1.067 367 A CA -1.062 50.957 52.037 -0.029 0.000 0.757 367 A CB -0.552 18.417 19.000 -0.051 0.000 0.996 367 A HN 0.019 nan 8.150 nan 0.000 0.504 368 P HA 0.008 nan 4.420 nan 0.000 0.264 368 P C 0.647 177.976 177.300 0.048 0.000 1.183 368 P CA 0.134 63.295 63.100 0.102 0.000 0.763 368 P CB 0.542 32.331 31.700 0.149 0.000 0.807 369 K N 1.933 122.372 120.400 0.065 0.000 2.288 369 K HA -0.027 4.294 4.320 0.002 0.000 0.201 369 K C 0.631 177.125 176.600 -0.177 0.000 1.048 369 K CA 0.482 56.722 56.287 -0.079 0.000 0.956 369 K CB -0.004 32.413 32.500 -0.139 0.000 0.746 369 K HN 0.638 nan 8.250 nan 0.000 0.461 370 S N -0.302 115.307 115.700 -0.150 0.000 2.600 370 S HA 0.010 4.482 4.470 0.002 0.000 0.265 370 S C 1.063 175.622 174.600 -0.068 0.000 1.325 370 S CA -0.153 57.956 58.200 -0.152 0.000 1.002 370 S CB 1.600 64.738 63.200 -0.104 0.000 0.921 370 S HN 0.268 nan 8.310 nan 0.000 0.554 371 S N 0.876 116.539 115.700 -0.061 0.000 2.461 371 S HA 0.000 4.472 4.470 0.002 0.000 0.228 371 S C 0.886 175.485 174.600 -0.001 0.000 1.005 371 S CA 0.312 58.493 58.200 -0.032 0.000 0.942 371 S CB -0.554 62.626 63.200 -0.035 0.000 0.776 371 S HN 0.737 nan 8.310 nan 0.000 0.514 372 N N 0.942 119.654 118.700 0.020 0.000 2.205 372 N HA 0.249 4.990 4.740 0.002 0.000 0.201 372 N C 1.543 177.095 175.510 0.071 0.000 1.128 372 N CA 0.668 53.746 53.050 0.046 0.000 0.867 372 N CB 0.085 38.625 38.487 0.088 0.000 0.996 372 N HN 0.530 nan 8.380 nan 0.000 0.503 373 G N 1.476 110.330 108.800 0.091 0.000 2.421 373 G HA2 -0.270 3.691 3.960 0.002 0.000 0.216 373 G HA3 -0.270 3.691 3.960 0.002 0.000 0.216 373 G C 1.541 176.580 174.900 0.231 0.000 1.171 373 G CA 0.710 45.914 45.100 0.173 0.000 0.775 373 G HN 0.265 nan 8.290 nan 0.000 0.543 374 K N 0.304 120.795 120.400 0.152 0.000 2.020 374 K HA -0.148 4.173 4.320 0.002 0.000 0.212 374 K C 2.549 179.221 176.600 0.121 0.000 1.050 374 K CA 1.460 57.828 56.287 0.133 0.000 0.929 374 K CB -0.235 32.298 32.500 0.055 0.000 0.714 374 K HN 0.245 nan 8.250 nan 0.000 0.443 375 R N 0.624 121.157 120.500 0.055 0.000 2.082 375 R HA -0.181 4.161 4.340 0.002 0.000 0.234 375 R C 1.578 177.863 176.300 -0.026 0.000 1.136 375 R CA 2.348 58.446 56.100 -0.003 0.000 0.935 375 R CB -0.448 29.823 30.300 -0.047 0.000 0.842 375 R HN 0.253 nan 8.270 nan 0.000 0.430 376 D N -0.406 119.983 120.400 -0.019 0.000 2.133 376 D HA -0.215 4.426 4.640 0.002 0.000 0.195 376 D C 1.683 177.930 176.300 -0.089 0.000 0.997 376 D CA 1.390 55.360 54.000 -0.051 0.000 0.840 376 D CB -0.509 40.286 40.800 -0.009 0.000 0.947 376 D HN 0.415 nan 8.370 nan 0.000 0.452 377 W N 0.922 122.257 121.300 0.059 0.000 2.388 377 W HA -0.109 4.553 4.660 0.002 0.000 0.294 377 W C 2.578 179.160 176.519 0.105 0.000 1.212 377 W CA 1.113 58.508 57.345 0.083 0.000 1.271 377 W CB -0.385 29.116 29.460 0.068 0.000 1.126 377 W HN -0.103 nan 8.180 nan 0.000 0.535 378 T N -0.522 114.193 114.554 0.269 0.000 2.720 378 T HA -0.215 4.136 4.350 0.002 0.000 0.268 378 T C 1.561 176.160 174.700 -0.168 0.000 1.037 378 T CA 2.046 64.228 62.100 0.136 0.000 1.144 378 T CB -0.693 68.220 68.868 0.075 0.000 0.864 378 T HN 0.083 nan 8.240 nan 0.000 0.444 379 T N 1.230 115.645 114.554 -0.231 0.000 2.777 379 T HA -0.087 4.265 4.350 0.002 0.000 0.266 379 T C 2.335 176.784 174.700 -0.418 0.000 1.040 379 T CA 1.421 63.246 62.100 -0.459 0.000 1.141 379 T CB -0.416 67.975 68.868 -0.794 0.000 0.868 379 T HN 0.369 nan 8.240 nan 0.000 0.444 380 S N 0.788 116.355 115.700 -0.222 0.000 2.345 380 S HA -0.142 4.329 4.470 0.002 0.000 0.220 380 S C 2.083 176.729 174.600 0.077 0.000 1.031 380 S CA 1.690 59.858 58.200 -0.054 0.000 0.996 380 S CB -0.641 62.505 63.200 -0.091 0.000 0.882 380 S HN 0.728 nan 8.310 nan 0.000 0.445 381 Y N 1.289 121.703 120.300 0.190 0.000 2.207 381 Y HA -0.029 4.522 4.550 0.002 0.000 0.287 381 Y C 1.930 177.854 175.900 0.041 0.000 1.156 381 Y CA 1.665 59.856 58.100 0.153 0.000 1.182 381 Y CB -0.502 38.065 38.460 0.178 0.000 0.979 381 Y HN 0.183 nan 8.280 nan 0.000 0.521 382 K N 0.058 120.129 120.400 -0.548 0.000 2.097 382 K HA -0.134 4.187 4.320 0.002 0.000 0.205 382 K C 2.234 178.760 176.600 -0.123 0.000 1.050 382 K CA 1.267 57.330 56.287 -0.373 0.000 0.938 382 K CB -0.197 32.038 32.500 -0.440 0.000 0.718 382 K HN 0.145 nan 8.250 nan 0.000 0.442 383 R N 1.938 122.352 120.500 -0.143 0.000 2.081 383 R HA -0.118 4.223 4.340 0.002 0.000 0.235 383 R C 1.975 178.334 176.300 0.098 0.000 1.131 383 R CA 1.669 57.719 56.100 -0.083 0.000 0.960 383 R CB -0.273 29.916 30.300 -0.185 0.000 0.856 383 R HN 0.248 nan 8.270 nan 0.000 0.436 384 Q N -0.238 119.620 119.800 0.097 0.000 2.084 384 Q HA -0.113 4.228 4.340 0.002 0.000 0.202 384 Q C 2.173 178.377 176.000 0.341 0.000 0.978 384 Q CA 1.670 57.592 55.803 0.199 0.000 0.844 384 Q CB -0.172 28.713 28.738 0.245 0.000 0.898 384 Q HN 0.336 nan 8.270 nan 0.000 0.426 385 L N 0.728 122.079 121.223 0.214 0.000 2.012 385 L HA -0.231 4.110 4.340 0.002 0.000 0.210 385 L C 2.224 179.199 176.870 0.175 0.000 1.073 385 L CA 1.370 56.303 54.840 0.154 0.000 0.748 385 L CB -0.447 41.603 42.059 -0.015 0.000 0.891 385 L HN 0.270 nan 8.230 nan 0.000 0.431 386 E N -0.552 119.751 120.200 0.171 0.000 2.110 386 E HA -0.245 4.106 4.350 0.002 0.000 0.193 386 E C 2.059 178.604 176.600 -0.091 0.000 0.988 386 E CA 1.134 57.597 56.400 0.104 0.000 0.804 386 E CB -0.180 29.704 29.700 0.306 0.000 0.745 386 E HN 0.324 nan 8.360 nan 0.000 0.458 387 F N 0.792 120.598 119.950 -0.240 0.000 2.095 387 F HA -0.254 4.274 4.527 0.002 0.000 0.298 387 F C 1.809 177.390 175.800 -0.366 0.000 1.104 387 F CA 1.483 59.067 58.000 -0.694 0.000 1.232 387 F CB -0.489 38.172 39.000 -0.566 0.000 0.987 387 F HN 0.009 nan 8.300 nan 0.000 0.475 388 Y N 0.312 120.494 120.300 -0.197 0.000 2.181 388 Y HA -0.270 4.281 4.550 0.002 0.000 0.288 388 Y C 2.628 178.322 175.900 -0.344 0.000 1.146 388 Y CA 1.910 59.844 58.100 -0.276 0.000 1.164 388 Y CB -0.810 37.557 38.460 -0.156 0.000 0.982 388 Y HN 0.155 nan 8.280 nan 0.000 0.515 389 Q N -1.575 118.155 119.800 -0.118 0.000 2.079 389 Q HA -0.246 4.095 4.340 0.002 0.000 0.200 389 Q C 1.979 177.883 176.000 -0.160 0.000 0.974 389 Q CA 1.627 57.309 55.803 -0.202 0.000 0.840 389 Q CB -0.592 28.110 28.738 -0.061 0.000 0.898 389 Q HN 0.632 nan 8.270 nan 0.000 0.430 390 W N 1.145 122.126 121.300 -0.532 0.000 2.342 390 W HA -0.135 4.526 4.660 0.002 0.000 0.297 390 W C 1.059 177.418 176.519 -0.268 0.000 1.213 390 W CA 1.182 58.317 57.345 -0.350 0.000 1.251 390 W CB -0.055 29.065 29.460 -0.566 0.000 1.136 390 W HN 0.043 nan 8.180 nan 0.000 0.526 391 L N 0.630 121.520 121.223 -0.554 0.000 2.592 391 L HA 0.108 4.449 4.340 0.002 0.000 0.227 391 L C 1.105 177.646 176.870 -0.549 0.000 1.127 391 L CA 0.036 54.397 54.840 -0.798 0.000 0.884 391 L CB -0.580 40.914 42.059 -0.941 0.000 1.065 391 L HN -0.146 nan 8.230 nan 0.000 0.457 392 Q N 1.466 121.065 119.800 -0.334 0.000 2.307 392 Q HA 0.139 4.480 4.340 0.002 0.000 0.261 392 Q C 0.542 176.495 176.000 -0.079 0.000 1.051 392 Q CA -0.336 55.336 55.803 -0.218 0.000 0.911 392 Q CB 0.859 29.425 28.738 -0.286 0.000 1.227 392 Q HN 0.378 nan 8.270 nan 0.000 0.418 393 S N 2.928 118.553 115.700 -0.125 0.000 2.598 393 S HA 0.138 4.609 4.470 0.002 0.000 0.256 393 S C 1.179 175.727 174.600 -0.087 0.000 1.350 393 S CA -0.082 58.051 58.200 -0.113 0.000 0.984 393 S CB 0.918 64.067 63.200 -0.084 0.000 0.930 393 S HN 0.764 nan 8.310 nan 0.000 0.577 394 A N 0.544 123.277 122.820 -0.145 0.000 1.972 394 A HA -0.058 4.264 4.320 0.002 0.000 0.219 394 A C 1.990 179.557 177.584 -0.028 0.000 1.169 394 A CA 1.752 53.740 52.037 -0.083 0.000 0.635 394 A CB -1.027 17.893 19.000 -0.132 0.000 0.810 394 A HN 0.880 nan 8.150 nan 0.000 0.446 395 E N -1.954 118.192 120.200 -0.090 0.000 2.170 395 E HA 0.286 4.638 4.350 0.002 0.000 0.191 395 E C 1.486 177.953 176.600 -0.222 0.000 0.981 395 E CA 1.083 57.419 56.400 -0.106 0.000 0.830 395 E CB -0.017 29.604 29.700 -0.132 0.000 0.775 395 E HN 0.694 nan 8.360 nan 0.000 0.470 396 G N -0.520 108.060 108.800 -0.367 0.000 2.705 396 G HA2 -0.137 3.824 3.960 0.002 0.000 0.193 396 G HA3 -0.137 3.824 3.960 0.002 0.000 0.193 396 G C 0.681 175.340 174.900 -0.401 0.000 1.015 396 G CA -0.375 44.566 45.100 -0.265 0.000 0.743 396 G HN 0.523 nan 8.290 nan 0.000 0.476 397 G N 0.828 108.902 108.800 -1.211 0.000 2.554 397 G HA2 0.455 4.417 3.960 0.002 0.000 0.238 397 G HA3 0.455 4.417 3.960 0.002 0.000 0.238 397 G C 0.234 174.996 174.900 -0.230 0.000 1.259 397 G CA -0.012 44.498 45.100 -0.983 0.000 0.843 397 G HN 0.454 nan 8.290 nan 0.000 0.582 398 I N 1.446 121.909 120.570 -0.179 0.000 2.325 398 I HA 0.367 4.538 4.170 0.002 0.000 0.291 398 I C 1.009 176.594 176.117 -0.887 0.000 1.019 398 I CA -0.936 59.971 61.300 -0.655 0.000 1.302 398 I CB 0.408 37.649 38.000 -1.264 0.000 1.401 398 I HN 0.532 nan 8.210 nan 0.000 0.485 399 A N 4.891 127.133 122.820 -0.964 0.000 2.280 399 A HA 0.590 4.911 4.320 0.002 0.000 0.268 399 A C 1.412 178.385 177.584 -1.018 0.000 1.111 399 A CA 0.263 51.455 52.037 -1.408 0.000 0.814 399 A CB -0.082 18.335 19.000 -0.971 0.000 1.093 399 A HN 0.877 nan 8.150 nan 0.000 0.498 400 G N -0.909 107.288 108.800 -1.005 0.000 2.484 400 G HA2 0.344 4.306 3.960 0.002 0.000 0.215 400 G HA3 0.344 4.306 3.960 0.002 0.000 0.215 400 G C 0.862 175.342 174.900 -0.701 0.000 1.219 400 G CA 1.599 46.175 45.100 -0.874 0.000 0.791 400 G HN 1.982 nan 8.290 nan 0.000 0.550 401 G N -1.821 106.634 108.800 -0.575 0.000 2.566 401 G HA2 0.618 4.579 3.960 0.002 0.000 0.138 401 G HA3 0.618 4.579 3.960 0.002 0.000 0.138 401 G C -1.371 173.516 174.900 -0.021 0.000 1.133 401 G CA 0.369 45.339 45.100 -0.217 0.000 1.037 401 G HN 1.546 nan 8.290 nan 0.000 0.491 402 A N -1.784 121.119 122.820 0.138 0.000 2.601 402 A HA 0.923 5.244 4.320 0.002 0.000 0.291 402 A C -0.782 176.829 177.584 0.045 0.000 1.075 402 A CA 0.584 52.729 52.037 0.180 0.000 0.671 402 A CB 1.416 20.708 19.000 0.487 0.000 1.277 402 A HN 1.865 nan 8.150 nan 0.000 0.417 403 T N -0.761 113.828 114.554 0.059 0.000 2.903 403 T HA 0.486 4.838 4.350 0.002 0.000 0.299 403 T C -0.012 174.780 174.700 0.154 0.000 1.093 403 T CA -0.229 61.923 62.100 0.088 0.000 1.002 403 T CB 1.577 70.502 68.868 0.094 0.000 1.127 403 T HN 0.729 nan 8.240 nan 0.000 0.488 404 N N 1.474 120.265 118.700 0.151 0.000 2.236 404 N HA 0.211 4.953 4.740 0.002 0.000 0.196 404 N C -0.426 175.242 175.510 0.263 0.000 1.114 404 N CA -0.058 53.151 53.050 0.266 0.000 0.859 404 N CB 0.522 39.155 38.487 0.244 0.000 0.982 404 N HN 0.352 nan 8.380 nan 0.000 0.493 405 S N 0.253 116.012 115.700 0.098 0.000 2.389 405 S HA 0.134 4.605 4.470 0.002 0.000 0.201 405 S C -1.257 173.366 174.600 0.039 0.000 1.422 405 S CA -0.778 57.307 58.200 -0.192 0.000 1.216 405 S CB -0.355 62.373 63.200 -0.786 0.000 1.130 405 S HN 0.292 nan 8.310 nan 0.000 0.465 406 W N 4.560 125.916 121.300 0.095 0.000 2.264 406 W HA 0.068 4.729 4.660 0.002 0.000 0.331 406 W C 0.193 176.711 176.519 -0.002 0.000 1.364 406 W CA 0.628 58.025 57.345 0.086 0.000 1.253 406 W CB 0.040 29.644 29.460 0.239 0.000 1.215 406 W HN 0.861 nan 8.180 nan 0.000 0.561 407 N N 2.797 121.129 118.700 -0.613 0.000 2.681 407 N HA -0.220 4.522 4.740 0.002 0.000 0.250 407 N C 0.906 176.275 175.510 -0.234 0.000 1.133 407 N CA 2.060 54.874 53.050 -0.393 0.000 0.732 407 N CB -1.509 36.874 38.487 -0.173 0.000 1.107 407 N HN 0.895 nan 8.380 nan 0.000 0.559 408 G N -0.600 108.091 108.800 -0.183 0.000 2.168 408 G HA2 -0.361 3.600 3.960 0.002 0.000 0.257 408 G HA3 -0.361 3.600 3.960 0.002 0.000 0.257 408 G C 0.600 175.405 174.900 -0.159 0.000 0.997 408 G CA 0.812 45.830 45.100 -0.137 0.000 0.708 408 G HN 0.605 nan 8.290 nan 0.000 0.520 409 R N -1.540 118.893 120.500 -0.113 0.000 2.592 409 R HA 0.316 4.657 4.340 0.002 0.000 0.439 409 R C 0.200 176.620 176.300 0.200 0.000 0.995 409 R CA -0.524 55.626 56.100 0.084 0.000 1.141 409 R CB 0.423 30.758 30.300 0.057 0.000 1.495 409 R HN 0.420 nan 8.270 nan 0.000 0.579 410 Y N 0.719 121.128 120.300 0.182 0.000 3.168 410 Y HA -0.301 4.250 4.550 0.002 0.000 0.207 410 Y C 0.024 176.007 175.900 0.138 0.000 1.280 410 Y CA 0.446 58.641 58.100 0.159 0.000 1.235 410 Y CB -2.117 36.393 38.460 0.084 0.000 1.370 410 Y HN 0.258 nan 8.280 nan 0.000 0.537 411 E N 0.628 120.996 120.200 0.281 0.000 2.374 411 E HA 0.182 4.533 4.350 0.002 0.000 0.260 411 E C 0.347 177.056 176.600 0.182 0.000 1.101 411 E CA -1.012 55.535 56.400 0.245 0.000 0.907 411 E CB 0.499 30.396 29.700 0.329 0.000 1.014 411 E HN 0.015 nan 8.360 nan 0.000 0.427 412 K N 1.693 122.124 120.400 0.052 0.000 2.485 412 K HA 0.002 4.323 4.320 0.002 0.000 0.277 412 K C -0.499 176.044 176.600 -0.095 0.000 0.990 412 K CA 0.405 56.644 56.287 -0.081 0.000 0.994 412 K CB 0.011 32.471 32.500 -0.067 0.000 0.906 412 K HN 0.339 nan 8.250 nan 0.000 0.488 413 Y N 2.222 122.387 120.300 -0.224 0.000 2.511 413 Y HA 0.095 4.646 4.550 0.002 0.000 0.332 413 Y C -1.538 174.061 175.900 -0.502 0.000 1.177 413 Y CA -2.759 55.025 58.100 -0.526 0.000 1.422 413 Y CB -0.888 37.380 38.460 -0.320 0.000 1.271 413 Y HN 0.429 nan 8.280 nan 0.000 0.550 414 P HA 0.056 nan 4.420 nan 0.000 0.267 414 P C -0.589 176.616 177.300 -0.158 0.000 1.201 414 P CA -0.133 62.789 63.100 -0.297 0.000 0.775 414 P CB 0.505 32.018 31.700 -0.312 0.000 0.854 415 A N 2.406 125.179 122.820 -0.078 0.000 2.587 415 A HA 0.354 4.675 4.320 0.002 0.000 0.235 415 A C 1.564 179.132 177.584 -0.028 0.000 1.044 415 A CA 0.761 52.776 52.037 -0.037 0.000 0.754 415 A CB -1.413 17.576 19.000 -0.018 0.000 0.968 415 A HN 0.948 nan 8.150 nan 0.000 0.509 416 G N 1.961 110.758 108.800 -0.006 0.000 2.155 416 G HA2 -0.219 3.742 3.960 0.002 0.000 0.257 416 G HA3 -0.219 3.742 3.960 0.002 0.000 0.257 416 G C 0.420 175.331 174.900 0.018 0.000 0.983 416 G CA 0.651 45.757 45.100 0.011 0.000 0.676 416 G HN 1.255 nan 8.290 nan 0.000 0.528 417 T N 1.263 115.815 114.554 -0.002 0.000 2.799 417 T HA 0.454 4.805 4.350 0.002 0.000 0.296 417 T C 0.827 175.580 174.700 0.088 0.000 0.947 417 T CA 0.789 62.886 62.100 -0.005 0.000 1.141 417 T CB 1.291 70.067 68.868 -0.153 0.000 0.891 417 T HN 0.761 nan 8.240 nan 0.000 0.533 418 S N 3.471 119.264 115.700 0.155 0.000 2.576 418 S HA 0.482 4.953 4.470 0.002 0.000 0.276 418 S C 0.339 175.171 174.600 0.387 0.000 1.339 418 S CA -0.585 57.767 58.200 0.253 0.000 1.039 418 S CB 0.273 63.607 63.200 0.223 0.000 0.902 418 S HN 0.862 nan 8.310 nan 0.000 0.516 419 T N 1.335 116.106 114.554 0.361 0.000 2.901 419 T HA 0.695 5.046 4.350 0.002 0.000 0.293 419 T C -1.158 173.491 174.700 -0.086 0.000 1.084 419 T CA -0.750 61.480 62.100 0.217 0.000 1.008 419 T CB 1.302 70.267 68.868 0.163 0.000 1.170 419 T HN 0.610 nan 8.240 nan 0.000 0.509 420 F N 2.087 121.731 119.950 -0.510 0.000 2.612 420 F HA 0.470 4.998 4.527 0.002 0.000 0.332 420 F C -0.801 174.933 175.800 -0.110 0.000 1.167 420 F CA -1.221 56.344 58.000 -0.726 0.000 0.970 420 F CB 0.720 38.863 39.000 -1.429 0.000 1.234 420 F HN 0.813 nan 8.300 nan 0.000 0.453 421 Y N 4.420 124.417 120.300 -0.504 0.000 3.491 421 Y HA -0.187 4.365 4.550 0.002 0.000 0.215 421 Y C 1.463 177.312 175.900 -0.086 0.000 1.219 421 Y CA 1.404 59.308 58.100 -0.327 0.000 1.485 421 Y CB -1.208 36.959 38.460 -0.488 0.000 1.450 421 Y HN 1.160 nan 8.280 nan 0.000 0.603 422 G N -1.787 107.053 108.800 0.067 0.000 2.217 422 G HA2 -0.332 3.630 3.960 0.002 0.000 0.246 422 G HA3 -0.332 3.630 3.960 0.002 0.000 0.246 422 G C 0.323 175.407 174.900 0.308 0.000 0.990 422 G CA 0.151 45.354 45.100 0.172 0.000 0.627 422 G HN 0.376 nan 8.290 nan 0.000 0.522 423 M N 1.247 120.995 119.600 0.247 0.000 2.314 423 M HA 0.618 5.099 4.480 0.002 0.000 0.342 423 M C 0.666 177.039 176.300 0.121 0.000 1.171 423 M CA 0.017 55.465 55.300 0.247 0.000 1.098 423 M CB 1.629 34.362 32.600 0.221 0.000 1.559 423 M HN 0.417 nan 8.290 nan 0.000 0.459 424 A N 2.230 124.957 122.820 -0.155 0.000 2.331 424 A HA 0.305 4.626 4.320 0.002 0.000 0.283 424 A C -1.008 176.684 177.584 0.179 0.000 1.142 424 A CA -0.419 51.452 52.037 -0.276 0.000 0.812 424 A CB 0.154 18.602 19.000 -0.920 0.000 1.074 424 A HN 0.743 nan 8.150 nan 0.000 0.497 425 Y N 3.139 123.587 120.300 0.247 0.000 2.526 425 Y HA 0.348 4.899 4.550 0.002 0.000 0.330 425 Y C 0.120 176.070 175.900 0.085 0.000 1.156 425 Y CA 0.452 58.687 58.100 0.225 0.000 1.419 425 Y CB 0.601 39.111 38.460 0.084 0.000 1.250 425 Y HN 0.804 nan 8.280 nan 0.000 0.540 426 V N 5.977 125.362 119.914 -0.882 0.000 2.577 426 V HA 0.463 4.584 4.120 0.002 0.000 0.303 426 V C -2.608 172.717 176.094 -1.282 0.000 1.042 426 V CA -2.257 59.498 62.300 -0.909 0.000 0.872 426 V CB 1.965 33.452 31.823 -0.560 0.000 0.998 426 V HN 0.607 nan 8.190 nan 0.000 0.423 427 P HA -0.013 nan 4.420 nan 0.000 0.217 427 P C 0.258 176.918 177.300 -1.068 0.000 1.150 427 P CA 1.366 63.875 63.100 -0.985 0.000 0.832 427 P CB -0.002 31.365 31.700 -0.554 0.000 0.787 428 H N -1.790 117.008 119.070 -0.453 0.000 2.569 428 H HA 0.336 4.893 4.556 0.002 0.000 0.247 428 H C -2.495 172.571 175.328 -0.436 0.000 1.346 428 H CA -2.354 53.487 56.048 -0.345 0.000 1.502 428 H CB 0.419 30.076 29.762 -0.176 0.000 1.512 428 H HN 0.077 nan 8.280 nan 0.000 0.502 429 P HA -0.043 nan 4.420 nan 0.000 0.268 429 P C 1.113 177.978 177.300 -0.726 0.000 1.204 429 P CA 0.325 63.100 63.100 -0.542 0.000 0.768 429 P CB 1.420 32.859 31.700 -0.434 0.000 0.842 430 V N 0.901 120.267 119.914 -0.913 0.000 0.542 430 V HA -0.319 3.803 4.120 0.002 0.000 0.092 430 V C 0.200 175.664 176.094 -1.050 0.000 2.107 430 V CA 1.674 63.249 62.300 -1.209 0.000 3.514 430 V CB -2.242 28.389 31.823 -1.986 0.000 0.805 430 V HN 0.452 nan 8.190 nan 0.000 0.840 431 Y N -1.045 118.918 120.300 -0.560 0.000 2.468 431 Y HA 0.827 5.378 4.550 0.002 0.000 0.342 431 Y C 0.522 176.285 175.900 -0.229 0.000 1.021 431 Y CA -0.429 57.458 58.100 -0.356 0.000 1.079 431 Y CB 1.821 40.074 38.460 -0.345 0.000 1.226 431 Y HN 0.185 nan 8.280 nan 0.000 0.460 432 A N 0.457 123.290 122.820 0.022 0.000 2.288 432 A HA 0.151 4.473 4.320 0.002 0.000 0.216 432 A C -0.118 177.457 177.584 -0.014 0.000 1.199 432 A CA 0.453 52.468 52.037 -0.038 0.000 0.891 432 A CB 0.170 19.144 19.000 -0.044 0.000 0.923 432 A HN 0.578 nan 8.150 nan 0.000 0.500 433 D N 0.870 121.293 120.400 0.038 0.000 2.378 433 D HA 0.356 4.997 4.640 0.002 0.000 0.265 433 D C -2.791 173.555 176.300 0.075 0.000 1.229 433 D CA -1.716 52.318 54.000 0.057 0.000 0.914 433 D CB 1.583 42.433 40.800 0.084 0.000 1.140 433 D HN 0.142 nan 8.370 nan 0.000 0.516 434 P HA 0.365 nan 4.420 nan 0.000 0.279 434 P C 0.492 177.805 177.300 0.022 0.000 1.276 434 P CA -0.481 62.655 63.100 0.059 0.000 0.801 434 P CB 0.674 32.436 31.700 0.104 0.000 1.127 435 G N 0.291 109.031 108.800 -0.100 0.000 2.225 435 G HA2 0.078 4.039 3.960 0.002 0.000 0.245 435 G HA3 0.078 4.039 3.960 0.002 0.000 0.245 435 G C 1.247 176.237 174.900 0.150 0.000 1.249 435 G CA 0.244 45.156 45.100 -0.314 0.000 0.919 435 G HN 0.548 nan 8.290 nan 0.000 0.486 436 S N 1.387 117.238 115.700 0.252 0.000 2.500 436 S HA -0.123 4.348 4.470 0.002 0.000 0.239 436 S C 1.498 176.503 174.600 0.675 0.000 0.989 436 S CA 1.131 59.566 58.200 0.392 0.000 0.951 436 S CB 0.006 63.292 63.200 0.144 0.000 0.759 436 S HN 0.524 nan 8.310 nan 0.000 0.523 437 N N 0.680 119.821 118.700 0.734 0.000 2.235 437 N HA 0.218 4.959 4.740 0.002 0.000 0.231 437 N C 1.136 177.164 175.510 0.863 0.000 1.177 437 N CA -0.157 53.302 53.050 0.681 0.000 0.874 437 N CB 0.033 38.531 38.487 0.018 0.000 1.097 437 N HN 0.585 nan 8.380 nan 0.000 0.518 438 Q N -0.996 119.265 119.800 0.768 0.000 2.123 438 Q HA -0.078 4.263 4.340 0.002 0.000 0.199 438 Q C -0.238 176.143 176.000 0.636 0.000 0.966 438 Q CA 0.604 56.787 55.803 0.633 0.000 0.845 438 Q CB 0.044 29.028 28.738 0.410 0.000 0.907 438 Q HN 0.377 nan 8.270 nan 0.000 0.439 439 W N 0.878 122.440 121.300 0.437 0.000 2.469 439 W HA -0.014 4.647 4.660 0.002 0.000 0.321 439 W C 0.452 177.192 176.519 0.369 0.000 1.415 439 W CA -0.655 56.866 57.345 0.294 0.000 1.308 439 W CB -0.010 29.492 29.460 0.070 0.000 1.368 439 W HN 0.162 nan 8.180 nan 0.000 0.546 440 F N 5.000 124.913 119.950 -0.061 0.000 2.333 440 F HA -0.037 4.492 4.527 0.002 0.000 0.300 440 F C 1.983 177.469 175.800 -0.523 0.000 1.083 440 F CA 2.161 60.097 58.000 -0.107 0.000 1.395 440 F CB -0.389 38.567 39.000 -0.073 0.000 1.056 440 F HN 0.453 nan 8.300 nan 0.000 0.529 441 G N -0.030 107.703 108.800 -1.779 0.000 2.475 441 G HA2 -0.315 3.647 3.960 0.002 0.000 0.220 441 G HA3 -0.315 3.647 3.960 0.002 0.000 0.220 441 G C 1.635 175.608 174.900 -1.545 0.000 1.125 441 G CA 1.027 44.720 45.100 -2.345 0.000 0.755 441 G HN 0.478 nan 8.290 nan 0.000 0.565 442 F N 0.596 120.064 119.950 -0.803 0.000 2.216 442 F HA -0.106 4.422 4.527 0.002 0.000 0.300 442 F C 3.048 178.867 175.800 0.031 0.000 1.085 442 F CA 0.964 58.830 58.000 -0.224 0.000 1.326 442 F CB 0.014 38.975 39.000 -0.065 0.000 1.027 442 F HN 0.064 nan 8.300 nan 0.000 0.497 443 Q N 0.569 120.513 119.800 0.240 0.000 2.030 443 Q HA -0.223 4.119 4.340 0.002 0.000 0.204 443 Q C 2.606 178.772 176.000 0.277 0.000 0.986 443 Q CA 1.770 57.813 55.803 0.400 0.000 0.843 443 Q CB -1.143 27.671 28.738 0.128 0.000 0.904 443 Q HN 0.458 nan 8.270 nan 0.000 0.420 444 A N 0.277 123.114 122.820 0.028 0.000 1.858 444 A HA -0.174 4.147 4.320 0.002 0.000 0.216 444 A C 1.893 179.682 177.584 0.342 0.000 1.190 444 A CA 1.318 53.499 52.037 0.239 0.000 0.617 444 A CB -1.050 18.062 19.000 0.188 0.000 0.827 444 A HN 0.392 nan 8.150 nan 0.000 0.443 445 W N 0.066 121.417 121.300 0.085 0.000 2.335 445 W HA -0.113 4.549 4.660 0.002 0.000 0.311 445 W C 3.048 179.643 176.519 0.127 0.000 1.213 445 W CA 1.241 58.672 57.345 0.142 0.000 1.274 445 W CB -1.204 28.331 29.460 0.125 0.000 1.148 445 W HN 0.365 nan 8.180 nan 0.000 0.498 446 S N -1.149 114.781 115.700 0.384 0.000 2.388 446 S HA -0.083 4.388 4.470 0.002 0.000 0.223 446 S C 1.917 176.650 174.600 0.222 0.000 1.034 446 S CA 1.034 59.427 58.200 0.321 0.000 0.963 446 S CB -0.292 63.084 63.200 0.293 0.000 0.827 446 S HN -0.100 nan 8.310 nan 0.000 0.481 447 M N 1.537 121.156 119.600 0.032 0.000 2.296 447 M HA 0.002 4.483 4.480 0.002 0.000 0.265 447 M C 2.183 178.351 176.300 -0.220 0.000 1.064 447 M CA 1.027 56.096 55.300 -0.385 0.000 1.109 447 M CB -1.364 30.428 32.600 -1.346 0.000 1.396 447 M HN 0.425 nan 8.290 nan 0.000 0.430 448 Q N 1.145 120.941 119.800 -0.007 0.000 2.152 448 Q HA -0.197 4.145 4.340 0.002 0.000 0.206 448 Q C 1.904 177.939 176.000 0.058 0.000 0.985 448 Q CA 1.739 57.604 55.803 0.102 0.000 0.863 448 Q CB -0.105 28.782 28.738 0.249 0.000 0.904 448 Q HN 0.507 nan 8.270 nan 0.000 0.422 449 R N -0.821 119.705 120.500 0.044 0.000 2.090 449 R HA -0.042 4.300 4.340 0.002 0.000 0.228 449 R C 2.474 178.794 176.300 0.034 0.000 1.110 449 R CA 1.212 57.332 56.100 0.034 0.000 0.973 449 R CB -0.267 30.089 30.300 0.094 0.000 0.869 449 R HN 0.060 nan 8.270 nan 0.000 0.440 450 V N 1.138 121.007 119.914 -0.075 0.000 2.343 450 V HA -0.271 3.850 4.120 0.002 0.000 0.247 450 V C 2.305 178.434 176.094 0.059 0.000 1.051 450 V CA 1.541 63.775 62.300 -0.112 0.000 1.036 450 V CB -0.390 31.174 31.823 -0.432 0.000 0.654 450 V HN 0.264 nan 8.190 nan 0.000 0.451 451 M N -0.315 119.307 119.600 0.036 0.000 2.080 451 M HA -0.194 4.287 4.480 0.002 0.000 0.260 451 M C 2.139 178.517 176.300 0.130 0.000 1.068 451 M CA 1.625 57.014 55.300 0.149 0.000 1.109 451 M CB -1.370 31.329 32.600 0.166 0.000 1.342 451 M HN 0.436 nan 8.290 nan 0.000 0.405 452 E N -0.995 119.212 120.200 0.012 0.000 2.106 452 E HA -0.223 4.128 4.350 0.002 0.000 0.192 452 E C 1.995 178.573 176.600 -0.036 0.000 0.984 452 E CA 1.105 57.430 56.400 -0.125 0.000 0.806 452 E CB -0.345 29.030 29.700 -0.543 0.000 0.750 452 E HN 0.519 nan 8.360 nan 0.000 0.458 453 Y N 0.403 120.711 120.300 0.013 0.000 2.128 453 Y HA -0.352 4.200 4.550 0.002 0.000 0.284 453 Y C 2.211 178.034 175.900 -0.129 0.000 1.154 453 Y CA 1.927 60.023 58.100 -0.007 0.000 1.149 453 Y CB -0.502 37.941 38.460 -0.028 0.000 0.976 453 Y HN 0.088 nan 8.280 nan 0.000 0.505 454 Y N 0.224 120.403 120.300 -0.201 0.000 2.181 454 Y HA -0.247 4.304 4.550 0.002 0.000 0.288 454 Y C 2.450 178.217 175.900 -0.221 0.000 1.146 454 Y CA 1.628 59.553 58.100 -0.291 0.000 1.164 454 Y CB -0.811 37.622 38.460 -0.045 0.000 0.982 454 Y HN 0.278 nan 8.280 nan 0.000 0.515 455 L N 0.039 121.219 121.223 -0.072 0.000 1.997 455 L HA -0.268 4.073 4.340 0.002 0.000 0.216 455 L C 2.011 178.987 176.870 0.176 0.000 1.074 455 L CA 2.156 57.032 54.840 0.060 0.000 0.763 455 L CB -0.335 41.763 42.059 0.065 0.000 0.890 455 L HN 0.276 nan 8.230 nan 0.000 0.434 456 E N -1.217 118.953 120.200 -0.049 0.000 2.442 456 E HA -0.067 4.284 4.350 0.002 0.000 0.195 456 E C 1.735 178.165 176.600 -0.283 0.000 1.030 456 E CA 1.229 57.584 56.400 -0.075 0.000 0.869 456 E CB 0.237 29.822 29.700 -0.192 0.000 0.857 456 E HN 0.681 nan 8.360 nan 0.000 0.505 457 T N -4.502 109.670 114.554 -0.636 0.000 3.028 457 T HA 0.279 4.631 4.350 0.002 0.000 0.250 457 T C 1.573 175.596 174.700 -1.129 0.000 0.979 457 T CA 0.615 62.263 62.100 -0.754 0.000 1.004 457 T CB 0.499 68.706 68.868 -1.101 0.000 1.120 457 T HN 0.110 nan 8.240 nan 0.000 0.482 458 G N 2.262 110.061 108.800 -1.669 0.000 2.160 458 G HA2 -0.224 3.737 3.960 0.002 0.000 0.251 458 G HA3 -0.224 3.737 3.960 0.002 0.000 0.251 458 G C -0.249 174.100 174.900 -0.919 0.000 1.008 458 G CA 0.188 43.862 45.100 -2.377 0.000 0.724 458 G HN 0.766 nan 8.290 nan 0.000 0.514 459 D N 0.385 120.490 120.400 -0.493 0.000 2.389 459 D HA 0.346 4.988 4.640 0.002 0.000 0.263 459 D C 1.620 177.962 176.300 0.070 0.000 1.255 459 D CA 0.629 54.557 54.000 -0.120 0.000 0.914 459 D CB 0.455 41.277 40.800 0.037 0.000 1.116 459 D HN 0.094 nan 8.370 nan 0.000 0.502 460 S N 2.156 117.882 115.700 0.042 0.000 2.387 460 S HA -0.221 4.250 4.470 0.002 0.000 0.230 460 S C 1.982 176.619 174.600 0.061 0.000 1.035 460 S CA 1.547 59.791 58.200 0.072 0.000 1.014 460 S CB -0.153 63.083 63.200 0.059 0.000 0.836 460 S HN 0.729 nan 8.310 nan 0.000 0.466 461 S N 0.339 116.088 115.700 0.081 0.000 2.469 461 S HA 0.019 4.490 4.470 0.002 0.000 0.238 461 S C 1.421 176.060 174.600 0.066 0.000 0.998 461 S CA 0.690 58.945 58.200 0.091 0.000 0.957 461 S CB -0.180 63.092 63.200 0.120 0.000 0.764 461 S HN 0.288 nan 8.310 nan 0.000 0.514 462 V N 0.739 120.674 119.914 0.035 0.000 3.660 462 V HA 0.196 4.317 4.120 0.002 0.000 0.276 462 V C 2.097 178.084 176.094 -0.179 0.000 1.317 462 V CA 0.333 62.610 62.300 -0.038 0.000 1.097 462 V CB -0.142 31.713 31.823 0.054 0.000 0.863 462 V HN 0.402 nan 8.190 nan 0.000 0.438 463 K N 0.580 120.864 120.400 -0.194 0.000 2.032 463 K HA -0.179 4.142 4.320 0.002 0.000 0.209 463 K C 1.967 178.507 176.600 -0.099 0.000 1.048 463 K CA 1.830 57.983 56.287 -0.223 0.000 0.927 463 K CB -0.188 32.254 32.500 -0.096 0.000 0.712 463 K HN 0.384 nan 8.250 nan 0.000 0.441 464 N N 1.196 119.875 118.700 -0.036 0.000 2.069 464 N HA -0.176 4.565 4.740 0.002 0.000 0.191 464 N C 1.793 177.271 175.510 -0.053 0.000 1.031 464 N CA 0.930 53.977 53.050 -0.005 0.000 0.852 464 N CB -0.426 38.089 38.487 0.047 0.000 1.018 464 N HN 0.072 nan 8.380 nan 0.000 0.423 465 L N 1.289 122.445 121.223 -0.110 0.000 1.990 465 L HA -0.088 4.253 4.340 0.002 0.000 0.213 465 L C 2.044 178.870 176.870 -0.073 0.000 1.072 465 L CA 1.478 56.227 54.840 -0.151 0.000 0.755 465 L CB -0.684 41.272 42.059 -0.172 0.000 0.889 465 L HN 0.109 nan 8.230 nan 0.000 0.432 466 I N -0.473 120.031 120.570 -0.110 0.000 2.179 466 I HA -0.292 3.879 4.170 0.002 0.000 0.242 466 I C 2.439 178.521 176.117 -0.059 0.000 1.088 466 I CA 1.307 62.547 61.300 -0.100 0.000 1.357 466 I CB -0.435 37.450 38.000 -0.192 0.000 1.051 466 I HN 0.287 nan 8.210 nan 0.000 0.409 467 K N 0.754 121.120 120.400 -0.056 0.000 2.057 467 K HA -0.215 4.106 4.320 0.002 0.000 0.206 467 K C 2.035 178.655 176.600 0.032 0.000 1.050 467 K CA 1.243 57.516 56.287 -0.023 0.000 0.935 467 K CB -0.452 32.077 32.500 0.049 0.000 0.715 467 K HN 0.300 nan 8.250 nan 0.000 0.439 468 K N -0.149 120.290 120.400 0.064 0.000 2.147 468 K HA -0.177 4.144 4.320 0.002 0.000 0.205 468 K C 1.985 178.682 176.600 0.161 0.000 1.049 468 K CA 1.136 57.481 56.287 0.097 0.000 0.936 468 K CB -0.172 32.377 32.500 0.082 0.000 0.722 468 K HN 0.185 nan 8.250 nan 0.000 0.446 469 W N 0.467 121.769 121.300 0.005 0.000 2.418 469 W HA -0.122 4.540 4.660 0.002 0.000 0.292 469 W C 1.498 178.102 176.519 0.142 0.000 1.213 469 W CA 0.831 58.240 57.345 0.107 0.000 1.283 469 W CB -0.106 29.382 29.460 0.047 0.000 1.119 469 W HN -0.203 nan 8.180 nan 0.000 0.542 470 V N 1.133 121.128 119.914 0.135 0.000 2.295 470 V HA -0.322 3.800 4.120 0.002 0.000 0.246 470 V C 2.035 178.064 176.094 -0.109 0.000 1.049 470 V CA 2.389 64.636 62.300 -0.087 0.000 1.024 470 V CB -0.955 30.700 31.823 -0.280 0.000 0.648 470 V HN 0.060 nan 8.190 nan 0.000 0.447 471 D N -1.161 119.227 120.400 -0.020 0.000 2.123 471 D HA -0.234 4.407 4.640 0.002 0.000 0.196 471 D C 1.668 177.973 176.300 0.008 0.000 0.992 471 D CA 1.585 55.590 54.000 0.008 0.000 0.833 471 D CB -0.301 40.532 40.800 0.054 0.000 0.954 471 D HN 0.667 nan 8.370 nan 0.000 0.455 472 W N 1.497 122.688 121.300 -0.182 0.000 2.353 472 W HA -0.172 4.490 4.660 0.002 0.000 0.319 472 W C 2.208 178.578 176.519 -0.248 0.000 1.207 472 W CA 0.990 58.218 57.345 -0.195 0.000 1.291 472 W CB -0.782 28.550 29.460 -0.213 0.000 1.159 472 W HN -0.217 nan 8.180 nan 0.000 0.478 473 V N 1.549 121.131 119.914 -0.554 0.000 2.332 473 V HA -0.372 3.749 4.120 0.002 0.000 0.248 473 V C 2.452 178.280 176.094 -0.444 0.000 1.055 473 V CA 2.286 64.146 62.300 -0.733 0.000 1.038 473 V CB -0.745 30.538 31.823 -0.900 0.000 0.651 473 V HN 0.199 nan 8.190 nan 0.000 0.450 474 M N 0.303 119.732 119.600 -0.285 0.000 2.149 474 M HA -0.119 4.363 4.480 0.002 0.000 0.261 474 M C 2.421 178.614 176.300 -0.180 0.000 1.064 474 M CA 2.238 57.432 55.300 -0.177 0.000 1.102 474 M CB -1.483 31.059 32.600 -0.096 0.000 1.369 474 M HN 0.647 nan 8.290 nan 0.000 0.408 475 S N -0.703 114.880 115.700 -0.195 0.000 2.555 475 S HA -0.031 4.441 4.470 0.002 0.000 0.230 475 S C 1.401 175.868 174.600 -0.221 0.000 0.978 475 S CA 0.680 58.782 58.200 -0.164 0.000 0.934 475 S CB -0.062 63.079 63.200 -0.098 0.000 0.766 475 S HN 0.412 nan 8.310 nan 0.000 0.533 476 E N 0.302 120.299 120.200 -0.338 0.000 2.539 476 E HA 0.368 4.719 4.350 0.002 0.000 0.215 476 E C -0.063 176.387 176.600 -0.250 0.000 0.965 476 E CA -0.145 56.057 56.400 -0.330 0.000 1.019 476 E CB 0.471 29.793 29.700 -0.629 0.000 1.059 476 E HN 0.581 nan 8.360 nan 0.000 0.496 477 I N 2.886 123.308 120.570 -0.246 0.000 2.471 477 I HA 0.014 4.186 4.170 0.002 0.000 0.286 477 I C 0.392 176.387 176.117 -0.203 0.000 1.079 477 I CA 0.028 61.223 61.300 -0.175 0.000 1.398 477 I CB 0.491 38.411 38.000 -0.132 0.000 1.403 477 I HN -0.450 nan 8.210 nan 0.000 0.530 478 K N 8.403 128.658 120.400 -0.242 0.000 2.253 478 K HA 0.499 4.821 4.320 0.002 0.000 0.277 478 K C -0.791 175.470 176.600 -0.565 0.000 1.053 478 K CA -0.389 55.602 56.287 -0.495 0.000 0.892 478 K CB 1.294 33.394 32.500 -0.666 0.000 1.102 478 K HN 0.525 nan 8.250 nan 0.000 0.469 479 L N 4.209 125.138 121.223 -0.489 0.000 2.296 479 L HA 0.463 4.804 4.340 0.002 0.000 0.286 479 L C -0.436 176.196 176.870 -0.398 0.000 1.023 479 L CA -1.015 53.630 54.840 -0.326 0.000 0.812 479 L CB 0.423 42.401 42.059 -0.136 0.000 1.223 479 L HN 0.461 nan 8.230 nan 0.000 0.421 480 Y N -0.336 119.993 120.300 0.048 0.000 2.509 480 Y HA 0.129 4.681 4.550 0.002 0.000 0.341 480 Y C 0.829 176.743 175.900 0.023 0.000 1.038 480 Y CA -0.980 57.132 58.100 0.019 0.000 1.089 480 Y CB 1.537 40.005 38.460 0.013 0.000 1.241 480 Y HN 0.709 nan 8.280 nan 0.000 0.468 481 D N -1.652 118.861 120.400 0.189 0.000 2.350 481 D HA -0.173 4.469 4.640 0.002 0.000 0.216 481 D C 0.587 176.936 176.300 0.081 0.000 0.968 481 D CA 1.009 55.065 54.000 0.094 0.000 0.894 481 D CB -0.117 40.719 40.800 0.060 0.000 0.909 481 D HN 0.575 nan 8.370 nan 0.000 0.520 482 D N -0.759 119.705 120.400 0.107 0.000 2.325 482 D HA 0.138 4.779 4.640 0.002 0.000 0.225 482 D C 1.683 178.062 176.300 0.131 0.000 1.096 482 D CA 0.226 54.279 54.000 0.089 0.000 0.844 482 D CB -0.242 40.594 40.800 0.060 0.000 0.925 482 D HN 0.317 nan 8.370 nan 0.000 0.513 483 G N 0.200 109.085 108.800 0.142 0.000 2.179 483 G HA2 -0.290 3.671 3.960 0.002 0.000 0.260 483 G HA3 -0.290 3.671 3.960 0.002 0.000 0.260 483 G C 0.542 175.611 174.900 0.281 0.000 0.977 483 G CA 0.694 45.892 45.100 0.164 0.000 0.641 483 G HN 0.761 nan 8.290 nan 0.000 0.533 484 T N -1.266 113.475 114.554 0.312 0.000 2.849 484 T HA 0.812 5.163 4.350 0.002 0.000 0.276 484 T C -0.070 174.927 174.700 0.494 0.000 0.971 484 T CA -0.045 62.299 62.100 0.406 0.000 0.949 484 T CB 2.144 71.191 68.868 0.298 0.000 1.093 484 T HN 1.597 nan 8.240 nan 0.000 0.545 485 F N -1.859 118.260 119.950 0.282 0.000 2.686 485 F HA 0.851 5.379 4.527 0.002 0.000 0.311 485 F C -1.359 174.541 175.800 0.166 0.000 1.128 485 F CA -1.444 56.615 58.000 0.098 0.000 0.946 485 F CB 1.025 40.065 39.000 0.066 0.000 1.336 485 F HN 0.949 nan 8.300 nan 0.000 0.457 486 A N 2.218 124.962 122.820 -0.126 0.000 2.572 486 A HA 0.860 5.181 4.320 0.002 0.000 0.295 486 A C -1.394 176.215 177.584 0.042 0.000 1.072 486 A CA -0.593 51.343 52.037 -0.168 0.000 0.691 486 A CB 1.605 20.622 19.000 0.029 0.000 1.291 486 A HN 1.399 nan 8.150 nan 0.000 0.404 487 I N -1.730 118.877 120.570 0.062 0.000 2.934 487 I HA 0.724 4.895 4.170 0.002 0.000 0.306 487 I C -2.954 173.076 176.117 -0.146 0.000 1.110 487 I CA -3.154 58.138 61.300 -0.014 0.000 1.019 487 I CB 2.236 40.245 38.000 0.016 0.000 1.227 487 I HN 0.239 nan 8.210 nan 0.000 0.434 488 P HA 0.046 nan 4.420 nan 0.000 0.264 488 P C -0.155 176.869 177.300 -0.461 0.000 1.183 488 P CA 0.308 62.904 63.100 -0.840 0.000 0.763 488 P CB 1.008 31.936 31.700 -1.286 0.000 0.807 489 S N 1.396 116.942 115.700 -0.257 0.000 2.811 489 S HA 0.099 4.570 4.470 0.002 0.000 0.237 489 S C 0.093 174.786 174.600 0.155 0.000 1.038 489 S CA 0.285 58.501 58.200 0.027 0.000 0.881 489 S CB 0.067 63.289 63.200 0.037 0.000 0.815 489 S HN 0.393 nan 8.310 nan 0.000 0.582 490 D N 0.962 121.399 120.400 0.062 0.000 2.342 490 D HA 0.578 5.219 4.640 0.002 0.000 0.243 490 D C -1.313 175.044 176.300 0.094 0.000 1.019 490 D CA -0.293 53.796 54.000 0.149 0.000 0.864 490 D CB 1.830 42.697 40.800 0.113 0.000 1.315 490 D HN 0.120 nan 8.370 nan 0.000 0.468 491 L N 1.009 122.349 121.223 0.194 0.000 2.354 491 L HA 0.448 4.789 4.340 0.002 0.000 0.269 491 L C -0.108 176.789 176.870 0.045 0.000 1.005 491 L CA -0.615 54.273 54.840 0.081 0.000 0.819 491 L CB 1.741 43.935 42.059 0.225 0.000 1.311 491 L HN 0.350 nan 8.230 nan 0.000 0.423 492 E N 1.117 121.215 120.200 -0.170 0.000 2.272 492 E HA 0.451 4.803 4.350 0.002 0.000 0.269 492 E C -1.892 174.560 176.600 -0.247 0.000 0.877 492 E CA -0.541 55.839 56.400 -0.034 0.000 0.755 492 E CB 1.392 31.107 29.700 0.025 0.000 1.192 492 E HN 0.465 nan 8.360 nan 0.000 0.422 493 W N 1.815 123.199 121.300 0.139 0.000 2.689 493 W HA 0.512 5.173 4.660 0.002 0.000 0.340 493 W C -0.391 176.179 176.519 0.085 0.000 1.060 493 W CA -0.412 56.978 57.345 0.076 0.000 1.218 493 W CB 2.086 31.545 29.460 -0.001 0.000 1.410 493 W HN 0.457 nan 8.180 nan 0.000 0.528 494 S N 1.171 117.062 115.700 0.318 0.000 2.556 494 S HA 0.889 5.360 4.470 0.002 0.000 0.271 494 S C -0.103 174.603 174.600 0.178 0.000 1.135 494 S CA -0.344 57.992 58.200 0.226 0.000 0.858 494 S CB 1.428 64.735 63.200 0.177 0.000 1.114 494 S HN 1.632 nan 8.310 nan 0.000 0.468 495 G N 1.148 110.026 108.800 0.130 0.000 2.642 495 G HA2 0.006 3.967 3.960 0.002 0.000 0.231 495 G HA3 0.006 3.967 3.960 0.002 0.000 0.231 495 G C -1.196 173.681 174.900 -0.038 0.000 1.338 495 G CA -0.251 44.876 45.100 0.045 0.000 0.883 495 G HN 1.000 nan 8.290 nan 0.000 0.570 496 Q N 0.100 119.779 119.800 -0.202 0.000 2.377 496 Q HA 0.497 4.838 4.340 0.002 0.000 0.279 496 Q C -2.586 173.086 176.000 -0.546 0.000 1.049 496 Q CA -1.667 53.840 55.803 -0.494 0.000 0.825 496 Q CB 3.382 31.976 28.738 -0.241 0.000 1.401 496 Q HN 0.580 nan 8.270 nan 0.000 0.404 497 P HA 0.011 nan 4.420 nan 0.000 0.272 497 P C -0.828 176.332 177.300 -0.232 0.000 1.230 497 P CA -0.179 62.568 63.100 -0.588 0.000 0.788 497 P CB 0.655 31.714 31.700 -1.068 0.000 0.949 498 D N 0.404 120.772 120.400 -0.053 0.000 2.372 498 D HA 0.059 4.700 4.640 0.002 0.000 0.243 498 D C 0.342 176.858 176.300 0.361 0.000 1.121 498 D CA 0.492 54.549 54.000 0.095 0.000 0.898 498 D CB 0.025 40.857 40.800 0.054 0.000 1.202 498 D HN 0.226 nan 8.370 nan 0.000 0.428 499 T N 1.898 116.638 114.554 0.310 0.000 2.923 499 T HA -0.133 4.218 4.350 0.002 0.000 0.304 499 T C 0.326 175.250 174.700 0.373 0.000 1.044 499 T CA 0.017 62.338 62.100 0.368 0.000 1.141 499 T CB 0.262 69.231 68.868 0.169 0.000 1.023 499 T HN 0.257 nan 8.240 nan 0.000 0.533 500 W N 3.170 124.507 121.300 0.061 0.000 2.308 500 W HA 0.141 4.802 4.660 0.002 0.000 0.324 500 W C 0.233 176.664 176.519 -0.146 0.000 1.387 500 W CA -0.152 57.161 57.345 -0.052 0.000 1.250 500 W CB 0.520 29.801 29.460 -0.299 0.000 1.257 500 W HN 0.580 nan 8.180 nan 0.000 0.554 501 T N 3.517 117.687 114.554 -0.641 0.000 3.209 501 T HA 0.190 4.541 4.350 0.002 0.000 0.295 501 T C 0.923 175.147 174.700 -0.793 0.000 0.977 501 T CA 0.482 62.252 62.100 -0.549 0.000 0.922 501 T CB -0.122 68.570 68.868 -0.294 0.000 1.152 501 T HN 0.827 nan 8.240 nan 0.000 0.527 502 G N 1.525 109.391 108.800 -1.557 0.000 2.176 502 G HA2 -0.211 3.750 3.960 0.002 0.000 0.253 502 G HA3 -0.211 3.750 3.960 0.002 0.000 0.253 502 G C 0.171 174.561 174.900 -0.849 0.000 0.979 502 G CA 0.348 44.787 45.100 -1.102 0.000 0.641 502 G HN 0.572 nan 8.290 nan 0.000 0.530 503 T N -0.571 113.383 114.554 -1.001 0.000 2.956 503 T HA 0.446 4.797 4.350 0.002 0.000 0.312 503 T C -1.116 173.506 174.700 -0.130 0.000 1.151 503 T CA -0.587 61.294 62.100 -0.366 0.000 1.024 503 T CB 2.001 70.757 68.868 -0.187 0.000 1.140 503 T HN 0.449 nan 8.240 nan 0.000 0.473 504 Y N 3.181 123.567 120.300 0.144 0.000 2.569 504 Y HA 0.242 4.793 4.550 0.002 0.000 0.332 504 Y C 1.751 177.722 175.900 0.118 0.000 1.120 504 Y CA -0.176 58.093 58.100 0.283 0.000 1.416 504 Y CB 0.632 39.250 38.460 0.264 0.000 1.210 504 Y HN 0.794 nan 8.280 nan 0.000 0.528 505 T N 1.061 115.420 114.554 -0.325 0.000 3.107 505 T HA 0.255 4.606 4.350 0.002 0.000 0.249 505 T C 1.461 175.823 174.700 -0.563 0.000 1.096 505 T CA 0.444 62.341 62.100 -0.339 0.000 1.012 505 T CB -0.332 68.426 68.868 -0.182 0.000 0.977 505 T HN 1.214 nan 8.240 nan 0.000 0.527 506 G N 2.036 110.060 108.800 -1.295 0.000 2.225 506 G HA2 -0.321 3.640 3.960 0.002 0.000 0.254 506 G HA3 -0.321 3.640 3.960 0.002 0.000 0.254 506 G C 0.256 174.861 174.900 -0.491 0.000 0.988 506 G CA -0.083 44.486 45.100 -0.885 0.000 0.625 506 G HN 0.624 nan 8.290 nan 0.000 0.527 507 N N -0.352 118.096 118.700 -0.420 0.000 2.678 507 N HA -0.157 4.585 4.740 0.002 0.000 0.268 507 N C -0.913 174.451 175.510 -0.244 0.000 1.010 507 N CA 1.310 54.211 53.050 -0.248 0.000 0.784 507 N CB -0.384 37.984 38.487 -0.198 0.000 0.905 507 N HN 0.494 nan 8.380 nan 0.000 0.552 508 P HA -0.105 nan 4.420 nan 0.000 0.228 508 P C 0.220 177.378 177.300 -0.237 0.000 1.151 508 P CA 1.213 64.213 63.100 -0.166 0.000 0.770 508 P CB 0.185 31.832 31.700 -0.088 0.000 0.786 509 N N -1.159 117.385 118.700 -0.260 0.000 2.203 509 N HA 0.117 4.858 4.740 0.002 0.000 0.207 509 N C -0.218 175.076 175.510 -0.360 0.000 1.130 509 N CA -0.317 52.592 53.050 -0.236 0.000 0.861 509 N CB 0.141 38.576 38.487 -0.087 0.000 1.005 509 N HN 0.016 nan 8.380 nan 0.000 0.507 510 L N 1.934 122.866 121.223 -0.485 0.000 2.265 510 L HA 0.331 4.672 4.340 0.002 0.000 0.289 510 L C -1.051 175.544 176.870 -0.458 0.000 1.033 510 L CA -0.528 54.091 54.840 -0.369 0.000 0.814 510 L CB -0.027 41.832 42.059 -0.333 0.000 1.203 510 L HN 0.158 nan 8.230 nan 0.000 0.423 511 H N 3.753 122.831 119.070 0.014 0.000 2.572 511 H HA 0.605 5.162 4.556 0.002 0.000 0.359 511 H C -1.002 174.255 175.328 -0.117 0.000 1.134 511 H CA -0.599 55.423 56.048 -0.042 0.000 1.187 511 H CB 2.552 32.292 29.762 -0.037 0.000 1.597 511 H HN 0.429 nan 8.280 nan 0.000 0.524 512 V N 3.208 122.999 119.914 -0.205 0.000 2.656 512 V HA 0.504 4.625 4.120 0.002 0.000 0.307 512 V C -0.677 175.249 176.094 -0.278 0.000 1.051 512 V CA -0.717 61.205 62.300 -0.631 0.000 0.893 512 V CB 2.290 33.289 31.823 -1.373 0.000 0.999 512 V HN 0.793 nan 8.190 nan 0.000 0.426 513 R N 4.607 124.953 120.500 -0.256 0.000 2.561 513 R HA 0.687 5.028 4.340 0.002 0.000 0.297 513 R C -1.714 174.533 176.300 -0.089 0.000 0.969 513 R CA -0.581 55.466 56.100 -0.088 0.000 0.879 513 R CB 2.188 32.453 30.300 -0.059 0.000 1.178 513 R HN 0.604 nan 8.270 nan 0.000 0.445 514 V N 4.174 124.062 119.914 -0.044 0.000 2.470 514 V HA 0.070 4.191 4.120 0.002 0.000 0.276 514 V C 1.325 177.316 176.094 -0.172 0.000 1.040 514 V CA 0.303 62.502 62.300 -0.168 0.000 1.008 514 V CB 1.138 32.748 31.823 -0.355 0.000 0.990 514 V HN 1.039 nan 8.190 nan 0.000 0.477 515 T N -0.180 114.284 114.554 -0.149 0.000 3.022 515 T HA 0.209 4.560 4.350 0.002 0.000 0.250 515 T C 0.549 175.201 174.700 -0.080 0.000 1.060 515 T CA 0.421 62.478 62.100 -0.072 0.000 1.013 515 T CB 0.217 69.079 68.868 -0.010 0.000 0.982 515 T HN 0.754 nan 8.240 nan 0.000 0.508 516 S N -0.427 115.149 115.700 -0.206 0.000 2.596 516 S HA 0.729 5.200 4.470 0.002 0.000 0.270 516 S C -1.958 172.410 174.600 -0.387 0.000 1.155 516 S CA -1.073 57.041 58.200 -0.144 0.000 0.827 516 S CB 1.216 64.408 63.200 -0.013 0.000 1.130 516 S HN 0.234 nan 8.310 nan 0.000 0.467 517 Y N -0.493 119.787 120.300 -0.033 0.000 2.570 517 Y HA 0.886 5.437 4.550 0.002 0.000 0.345 517 Y C 0.911 176.779 175.900 -0.053 0.000 1.014 517 Y CA -0.018 58.041 58.100 -0.068 0.000 1.063 517 Y CB 2.386 40.804 38.460 -0.069 0.000 1.272 517 Y HN 1.244 nan 8.280 nan 0.000 0.477 518 G N -0.636 108.205 108.800 0.067 0.000 2.677 518 G HA2 0.412 4.373 3.960 0.002 0.000 0.283 518 G HA3 0.412 4.373 3.960 0.002 0.000 0.283 518 G C -0.762 174.052 174.900 -0.142 0.000 1.221 518 G CA -0.479 44.612 45.100 -0.015 0.000 0.851 518 G HN 0.394 nan 8.290 nan 0.000 0.504 519 T N 0.687 115.131 114.554 -0.184 0.000 3.567 519 T HA 0.208 4.559 4.350 0.002 0.000 0.314 519 T C -0.469 174.073 174.700 -0.263 0.000 0.942 519 T CA -0.283 61.570 62.100 -0.412 0.000 0.997 519 T CB -0.146 68.480 68.868 -0.403 0.000 1.205 519 T HN 0.467 nan 8.240 nan 0.000 0.518 520 D N 2.000 122.352 120.400 -0.080 0.000 2.502 520 D HA 0.014 4.655 4.640 0.002 0.000 0.249 520 D C 1.292 177.482 176.300 -0.183 0.000 1.188 520 D CA 0.268 54.226 54.000 -0.070 0.000 0.890 520 D CB 0.699 41.572 40.800 0.122 0.000 1.140 520 D HN 0.384 nan 8.370 nan 0.000 0.505 521 L N 3.702 124.666 121.223 -0.433 0.000 2.156 521 L HA -0.001 4.341 4.340 0.002 0.000 0.208 521 L C 2.565 179.175 176.870 -0.433 0.000 1.095 521 L CA 0.951 55.582 54.840 -0.349 0.000 0.770 521 L CB -0.287 41.605 42.059 -0.279 0.000 0.914 521 L HN 0.488 nan 8.230 nan 0.000 0.439 522 G N -0.055 108.094 108.800 -1.085 0.000 2.421 522 G HA2 -0.180 3.782 3.960 0.002 0.000 0.216 522 G HA3 -0.180 3.782 3.960 0.002 0.000 0.216 522 G C 1.562 176.587 174.900 0.210 0.000 1.171 522 G CA 0.915 45.688 45.100 -0.546 0.000 0.775 522 G HN 0.177 nan 8.290 nan 0.000 0.543 523 V N 1.520 121.554 119.914 0.201 0.000 2.515 523 V HA -0.062 4.060 4.120 0.002 0.000 0.250 523 V C 3.276 179.524 176.094 0.256 0.000 1.058 523 V CA 1.758 64.236 62.300 0.298 0.000 1.064 523 V CB -0.729 31.224 31.823 0.216 0.000 0.675 523 V HN 0.471 nan 8.190 nan 0.000 0.461 524 A N 0.834 123.757 122.820 0.172 0.000 1.902 524 A HA -0.089 4.232 4.320 0.002 0.000 0.217 524 A C 2.431 180.082 177.584 0.112 0.000 1.181 524 A CA 1.990 54.110 52.037 0.138 0.000 0.623 524 A CB -1.223 17.827 19.000 0.084 0.000 0.818 524 A HN 0.507 nan 8.150 nan 0.000 0.443 525 G N -0.925 107.947 108.800 0.120 0.000 2.433 525 G HA2 -0.217 3.745 3.960 0.002 0.000 0.216 525 G HA3 -0.217 3.745 3.960 0.002 0.000 0.216 525 G C 1.959 176.986 174.900 0.211 0.000 1.186 525 G CA 1.539 46.720 45.100 0.135 0.000 0.779 525 G HN 0.574 nan 8.290 nan 0.000 0.543 526 S N -0.127 115.780 115.700 0.345 0.000 2.359 526 S HA -0.129 4.342 4.470 0.002 0.000 0.224 526 S C 2.357 177.170 174.600 0.355 0.000 1.035 526 S CA 1.529 59.990 58.200 0.435 0.000 1.018 526 S CB -0.338 63.267 63.200 0.676 0.000 0.876 526 S HN 0.191 nan 8.310 nan 0.000 0.448 527 L N 1.940 123.358 121.223 0.326 0.000 2.012 527 L HA 0.062 4.404 4.340 0.002 0.000 0.210 527 L C 2.589 179.602 176.870 0.240 0.000 1.073 527 L CA 2.201 57.233 54.840 0.321 0.000 0.748 527 L CB -1.479 40.762 42.059 0.303 0.000 0.891 527 L HN 0.355 nan 8.230 nan 0.000 0.431 528 A N -0.469 122.447 122.820 0.160 0.000 1.908 528 A HA -0.289 4.032 4.320 0.002 0.000 0.218 528 A C 2.242 179.899 177.584 0.122 0.000 1.181 528 A CA 1.925 54.018 52.037 0.094 0.000 0.627 528 A CB -0.987 18.028 19.000 0.026 0.000 0.818 528 A HN 0.631 nan 8.150 nan 0.000 0.445 529 N N 0.621 119.410 118.700 0.148 0.000 2.043 529 N HA -0.160 4.582 4.740 0.002 0.000 0.193 529 N C 1.867 177.498 175.510 0.202 0.000 1.037 529 N CA 2.193 55.335 53.050 0.154 0.000 0.851 529 N CB -0.568 38.015 38.487 0.161 0.000 1.027 529 N HN 0.368 nan 8.380 nan 0.000 0.422 530 A N 1.246 124.221 122.820 0.258 0.000 1.883 530 A HA -0.094 4.227 4.320 0.002 0.000 0.217 530 A C 2.625 180.400 177.584 0.317 0.000 1.186 530 A CA 1.303 53.511 52.037 0.285 0.000 0.624 530 A CB -0.890 18.325 19.000 0.358 0.000 0.822 530 A HN 0.385 nan 8.150 nan 0.000 0.444 531 L N -1.015 120.390 121.223 0.303 0.000 2.056 531 L HA -0.179 4.162 4.340 0.002 0.000 0.207 531 L C 3.096 180.133 176.870 0.278 0.000 1.078 531 L CA 1.068 56.088 54.840 0.300 0.000 0.749 531 L CB -0.538 41.638 42.059 0.195 0.000 0.901 531 L HN 0.453 nan 8.230 nan 0.000 0.433 532 A N -0.645 122.298 122.820 0.204 0.000 1.930 532 A HA -0.164 4.158 4.320 0.002 0.000 0.217 532 A C 2.351 180.088 177.584 0.254 0.000 1.175 532 A CA 2.112 54.290 52.037 0.235 0.000 0.627 532 A CB -0.781 18.345 19.000 0.210 0.000 0.815 532 A HN 0.354 nan 8.150 nan 0.000 0.443 533 T N -1.383 113.273 114.554 0.170 0.000 2.708 533 T HA -0.164 4.187 4.350 0.002 0.000 0.266 533 T C 1.801 176.559 174.700 0.096 0.000 1.037 533 T CA 1.696 63.817 62.100 0.035 0.000 1.146 533 T CB -0.441 68.465 68.868 0.064 0.000 0.865 533 T HN 0.619 nan 8.240 nan 0.000 0.435 534 Y N 2.345 122.721 120.300 0.126 0.000 2.181 534 Y HA -0.061 4.490 4.550 0.002 0.000 0.288 534 Y C 2.459 178.475 175.900 0.193 0.000 1.146 534 Y CA 0.925 59.137 58.100 0.186 0.000 1.164 534 Y CB -0.896 37.688 38.460 0.206 0.000 0.982 534 Y HN 0.166 nan 8.280 nan 0.000 0.515 535 A N 1.190 123.996 122.820 -0.023 0.000 1.865 535 A HA -0.201 4.120 4.320 0.002 0.000 0.217 535 A C 2.525 180.156 177.584 0.078 0.000 1.191 535 A CA 2.567 54.583 52.037 -0.036 0.000 0.623 535 A CB -1.734 17.337 19.000 0.119 0.000 0.826 535 A HN 0.719 nan 8.150 nan 0.000 0.444 536 A N -0.267 122.624 122.820 0.119 0.000 1.917 536 A HA 0.025 4.346 4.320 0.002 0.000 0.219 536 A C 2.524 179.996 177.584 -0.187 0.000 1.182 536 A CA 2.633 54.556 52.037 -0.190 0.000 0.633 536 A CB -1.129 17.436 19.000 -0.726 0.000 0.819 536 A HN 1.222 nan 8.150 nan 0.000 0.448 537 A N -0.368 122.376 122.820 -0.127 0.000 1.877 537 A HA -0.127 4.194 4.320 0.002 0.000 0.216 537 A C 2.482 180.079 177.584 0.022 0.000 1.186 537 A CA 2.734 54.761 52.037 -0.017 0.000 0.620 537 A CB -1.559 17.525 19.000 0.141 0.000 0.822 537 A HN 0.901 nan 8.150 nan 0.000 0.443 538 T N -1.953 112.560 114.554 -0.068 0.000 2.759 538 T HA -0.216 4.136 4.350 0.002 0.000 0.269 538 T C 1.728 176.421 174.700 -0.011 0.000 1.042 538 T CA 1.737 63.822 62.100 -0.025 0.000 1.140 538 T CB -0.362 68.405 68.868 -0.169 0.000 0.864 538 T HN 0.636 nan 8.240 nan 0.000 0.455 539 E N 0.916 121.087 120.200 -0.047 0.000 2.072 539 E HA -0.124 4.227 4.350 0.002 0.000 0.190 539 E C 2.553 179.069 176.600 -0.141 0.000 0.982 539 E CA 0.615 56.985 56.400 -0.051 0.000 0.803 539 E CB -0.117 29.577 29.700 -0.011 0.000 0.755 539 E HN 0.569 nan 8.360 nan 0.000 0.453 540 R N -0.757 119.584 120.500 -0.265 0.000 2.081 540 R HA -0.144 4.197 4.340 0.002 0.000 0.235 540 R C 1.410 177.334 176.300 -0.627 0.000 1.131 540 R CA 2.027 57.794 56.100 -0.555 0.000 0.960 540 R CB -0.140 29.654 30.300 -0.843 0.000 0.856 540 R HN 0.261 nan 8.270 nan 0.000 0.436 541 W N -0.139 121.087 121.300 -0.123 0.000 2.842 541 W HA 0.279 4.940 4.660 0.002 0.000 0.267 541 W C 0.468 176.974 176.519 -0.020 0.000 1.219 541 W CA -0.611 56.671 57.345 -0.105 0.000 1.458 541 W CB 0.556 29.880 29.460 -0.227 0.000 1.006 541 W HN 0.009 nan 8.180 nan 0.000 0.603 542 E N -0.410 119.904 120.200 0.190 0.000 2.446 542 E HA 0.356 4.708 4.350 0.002 0.000 0.251 542 E C 1.464 178.121 176.600 0.094 0.000 1.087 542 E CA -0.131 56.368 56.400 0.165 0.000 0.937 542 E CB 0.670 30.479 29.700 0.182 0.000 1.254 542 E HN -0.055 nan 8.360 nan 0.000 0.479 543 G N 0.568 109.421 108.800 0.088 0.000 2.440 543 G HA2 -0.224 3.737 3.960 0.002 0.000 0.218 543 G HA3 -0.224 3.737 3.960 0.002 0.000 0.218 543 G C 0.253 175.181 174.900 0.046 0.000 1.154 543 G CA 1.214 46.351 45.100 0.062 0.000 0.767 543 G HN 0.426 nan 8.290 nan 0.000 0.552 544 K N -1.192 119.238 120.400 0.050 0.000 2.536 544 K HA 0.568 4.890 4.320 0.002 0.000 0.269 544 K C -1.273 175.347 176.600 0.034 0.000 0.965 544 K CA -1.202 55.108 56.287 0.038 0.000 0.860 544 K CB 1.794 34.318 32.500 0.039 0.000 1.423 544 K HN 0.010 nan 8.250 nan 0.000 0.438 545 L N 1.866 123.109 121.223 0.033 0.000 2.499 545 L HA 0.094 4.436 4.340 0.002 0.000 0.273 545 L C -0.147 176.736 176.870 0.022 0.000 1.195 545 L CA 0.639 55.501 54.840 0.037 0.000 0.882 545 L CB 0.285 42.391 42.059 0.078 0.000 1.133 545 L HN 0.718 nan 8.230 nan 0.000 0.483 546 D N 3.579 123.974 120.400 -0.009 0.000 2.455 546 D HA 0.002 4.643 4.640 0.002 0.000 0.234 546 D C 0.918 177.218 176.300 -0.000 0.000 1.224 546 D CA 0.205 54.214 54.000 0.014 0.000 0.999 546 D CB 0.814 41.634 40.800 0.033 0.000 1.072 546 D HN 0.816 nan 8.370 nan 0.000 0.514 547 T N 2.726 117.276 114.554 -0.007 0.000 2.699 547 T HA -0.193 4.158 4.350 0.002 0.000 0.268 547 T C 1.807 176.477 174.700 -0.050 0.000 1.036 547 T CA 1.282 63.355 62.100 -0.044 0.000 1.147 547 T CB 0.221 69.078 68.868 -0.018 0.000 0.862 547 T HN 0.409 nan 8.240 nan 0.000 0.446 548 K N 0.567 120.964 120.400 -0.004 0.000 2.057 548 K HA 0.019 4.340 4.320 0.002 0.000 0.207 548 K C 2.592 179.197 176.600 0.008 0.000 1.049 548 K CA 1.198 57.486 56.287 0.002 0.000 0.931 548 K CB -0.251 32.264 32.500 0.026 0.000 0.714 548 K HN 0.276 nan 8.250 nan 0.000 0.440 549 A N 1.531 124.390 122.820 0.066 0.000 1.877 549 A HA -0.188 4.133 4.320 0.002 0.000 0.216 549 A C 2.103 179.692 177.584 0.008 0.000 1.186 549 A CA 1.399 53.505 52.037 0.115 0.000 0.620 549 A CB -0.505 18.700 19.000 0.341 0.000 0.822 549 A HN 0.219 nan 8.150 nan 0.000 0.443 550 R N -0.299 120.137 120.500 -0.108 0.000 2.096 550 R HA -0.204 4.137 4.340 0.002 0.000 0.240 550 R C 1.312 177.457 176.300 -0.258 0.000 1.139 550 R CA 2.151 58.046 56.100 -0.342 0.000 0.952 550 R CB -0.437 29.474 30.300 -0.648 0.000 0.854 550 R HN 0.459 nan 8.270 nan 0.000 0.436 551 D N 0.105 120.403 120.400 -0.169 0.000 2.183 551 D HA -0.145 4.497 4.640 0.002 0.000 0.203 551 D C 1.753 178.001 176.300 -0.086 0.000 0.969 551 D CA 0.971 54.899 54.000 -0.120 0.000 0.842 551 D CB -0.157 40.593 40.800 -0.084 0.000 0.957 551 D HN 0.208 nan 8.370 nan 0.000 0.484 552 M N 1.129 120.689 119.600 -0.066 0.000 2.175 552 M HA -0.020 4.461 4.480 0.002 0.000 0.264 552 M C 1.910 178.178 176.300 -0.054 0.000 1.063 552 M CA 1.161 56.430 55.300 -0.051 0.000 1.119 552 M CB -0.334 32.246 32.600 -0.033 0.000 1.377 552 M HN -0.034 nan 8.290 nan 0.000 0.415 553 A N -0.005 122.783 122.820 -0.052 0.000 1.892 553 A HA -0.093 4.228 4.320 0.002 0.000 0.218 553 A C 2.395 179.913 177.584 -0.109 0.000 1.188 553 A CA 2.456 54.459 52.037 -0.057 0.000 0.631 553 A CB -1.563 17.409 19.000 -0.046 0.000 0.822 553 A HN 0.659 nan 8.150 nan 0.000 0.447 554 A N -0.739 121.999 122.820 -0.138 0.000 1.898 554 A HA -0.132 4.189 4.320 0.002 0.000 0.216 554 A C 1.946 179.522 177.584 -0.014 0.000 1.181 554 A CA 1.605 53.569 52.037 -0.121 0.000 0.620 554 A CB -0.445 18.522 19.000 -0.055 0.000 0.819 554 A HN 0.513 nan 8.150 nan 0.000 0.442 555 E N 0.138 120.316 120.200 -0.037 0.000 2.058 555 E HA -0.189 4.162 4.350 0.002 0.000 0.194 555 E C 2.077 178.633 176.600 -0.073 0.000 0.997 555 E CA 1.147 57.526 56.400 -0.036 0.000 0.801 555 E CB -0.493 29.176 29.700 -0.051 0.000 0.746 555 E HN 0.671 nan 8.360 nan 0.000 0.450 556 L N 0.469 121.619 121.223 -0.122 0.000 1.989 556 L HA -0.209 4.132 4.340 0.002 0.000 0.211 556 L C 2.662 179.414 176.870 -0.196 0.000 1.071 556 L CA 1.033 55.725 54.840 -0.247 0.000 0.749 556 L CB -0.659 41.300 42.059 -0.166 0.000 0.890 556 L HN -0.008 nan 8.230 nan 0.000 0.431 557 V N 0.129 120.009 119.914 -0.056 0.000 2.287 557 V HA -0.315 3.806 4.120 0.002 0.000 0.248 557 V C 2.270 178.510 176.094 0.245 0.000 1.053 557 V CA 2.072 64.411 62.300 0.065 0.000 1.027 557 V CB -0.767 31.065 31.823 0.016 0.000 0.646 557 V HN 0.489 nan 8.190 nan 0.000 0.447 558 N N 0.250 119.120 118.700 0.284 0.000 2.069 558 N HA -0.155 4.586 4.740 0.002 0.000 0.191 558 N C 1.986 177.766 175.510 0.450 0.000 1.031 558 N CA 1.563 54.891 53.050 0.464 0.000 0.852 558 N CB -0.363 38.250 38.487 0.210 0.000 1.018 558 N HN 0.494 nan 8.380 nan 0.000 0.423 559 R N 0.345 120.972 120.500 0.211 0.000 2.093 559 R HA 0.172 4.513 4.340 0.002 0.000 0.224 559 R C 2.200 178.709 176.300 0.350 0.000 1.101 559 R CA 0.950 57.209 56.100 0.265 0.000 0.979 559 R CB -0.206 30.180 30.300 0.144 0.000 0.877 559 R HN 0.166 nan 8.270 nan 0.000 0.441 560 A N 1.262 124.127 122.820 0.075 0.000 1.877 560 A HA -0.197 4.124 4.320 0.002 0.000 0.216 560 A C 1.887 179.776 177.584 0.509 0.000 1.186 560 A CA 1.051 53.269 52.037 0.301 0.000 0.620 560 A CB -0.945 18.087 19.000 0.054 0.000 0.822 560 A HN 0.611 nan 8.150 nan 0.000 0.443 561 W N -0.712 120.757 121.300 0.280 0.000 2.379 561 W HA -0.235 4.426 4.660 0.002 0.000 0.307 561 W C 2.065 178.791 176.519 0.345 0.000 1.200 561 W CA 1.981 59.492 57.345 0.278 0.000 1.297 561 W CB -0.510 29.064 29.460 0.191 0.000 1.140 561 W HN 0.492 nan 8.180 nan 0.000 0.507 562 Y N 2.284 122.789 120.300 0.343 0.000 2.145 562 Y HA -0.212 4.339 4.550 0.002 0.000 0.286 562 Y C 2.263 178.190 175.900 0.045 0.000 1.145 562 Y CA 2.454 60.667 58.100 0.189 0.000 1.148 562 Y CB -1.016 37.636 38.460 0.320 0.000 0.981 562 Y HN -0.101 nan 8.280 nan 0.000 0.507 563 N N -1.098 117.645 118.700 0.071 0.000 2.463 563 N HA -0.040 4.702 4.740 0.002 0.000 0.181 563 N C -0.046 175.039 175.510 -0.707 0.000 1.078 563 N CA 0.786 53.646 53.050 -0.317 0.000 0.902 563 N CB 0.050 38.476 38.487 -0.101 0.000 0.970 563 N HN 0.348 nan 8.380 nan 0.000 0.451 564 F N -0.787 119.148 119.950 -0.024 0.000 2.815 564 F HA 0.197 4.725 4.527 0.002 0.000 0.323 564 F C -0.000 175.720 175.800 -0.134 0.000 1.151 564 F CA -0.915 57.058 58.000 -0.045 0.000 1.191 564 F CB -0.277 38.742 39.000 0.033 0.000 1.069 564 F HN -0.133 nan 8.300 nan 0.000 0.514 565 Y N 1.682 121.806 120.300 -0.294 0.000 2.810 565 Y HA 0.011 4.562 4.550 0.002 0.000 0.332 565 Y C 0.406 176.161 175.900 -0.242 0.000 1.243 565 Y CA -0.407 57.420 58.100 -0.455 0.000 1.537 565 Y CB 0.360 38.467 38.460 -0.588 0.000 1.265 565 Y HN 0.207 nan 8.280 nan 0.000 0.572 566 C N 6.646 125.497 119.300 -0.749 0.000 2.303 566 C HA 0.261 4.722 4.460 0.002 0.000 0.341 566 C C 1.588 176.249 174.990 -0.549 0.000 1.244 566 C CA 0.149 58.914 59.018 -0.422 0.000 1.765 566 C CB -0.597 27.049 27.740 -0.156 0.000 2.379 566 C HN 1.049 nan 8.230 nan 0.000 0.530 567 S N 2.906 118.506 115.700 -0.166 0.000 2.453 567 S HA -0.016 4.455 4.470 0.002 0.000 0.231 567 S C 1.826 176.415 174.600 -0.018 0.000 1.005 567 S CA 1.803 60.009 58.200 0.009 0.000 0.949 567 S CB -0.030 63.198 63.200 0.047 0.000 0.774 567 S HN 1.007 nan 8.310 nan 0.000 0.510 568 E N 0.017 120.182 120.200 -0.057 0.000 2.445 568 E HA 0.394 4.745 4.350 0.002 0.000 0.189 568 E C 1.160 177.723 176.600 -0.062 0.000 1.069 568 E CA 0.625 57.000 56.400 -0.042 0.000 0.871 568 E CB -1.260 28.419 29.700 -0.036 0.000 0.991 568 E HN 0.829 nan 8.360 nan 0.000 0.481 569 G N 0.372 109.111 108.800 -0.103 0.000 2.132 569 G HA2 -0.286 3.676 3.960 0.002 0.000 0.234 569 G HA3 -0.286 3.676 3.960 0.002 0.000 0.234 569 G C 1.019 175.876 174.900 -0.072 0.000 0.989 569 G CA 0.537 45.590 45.100 -0.077 0.000 0.676 569 G HN 0.497 nan 8.290 nan 0.000 0.522 570 K N -0.167 120.170 120.400 -0.104 0.000 2.374 570 K HA 0.475 4.796 4.320 0.002 0.000 0.196 570 K C 1.735 178.396 176.600 0.103 0.000 1.023 570 K CA 0.657 56.911 56.287 -0.054 0.000 1.103 570 K CB 0.608 32.907 32.500 -0.334 0.000 0.848 570 K HN 1.224 nan 8.250 nan 0.000 0.528 571 G N 0.857 109.656 108.800 -0.002 0.000 2.713 571 G HA2 -0.233 3.728 3.960 0.002 0.000 0.215 571 G HA3 -0.233 3.728 3.960 0.002 0.000 0.215 571 G C -0.637 174.211 174.900 -0.087 0.000 1.265 571 G CA -0.359 44.773 45.100 0.054 0.000 1.204 571 G HN 0.175 nan 8.290 nan 0.000 0.545 572 V N -1.454 118.500 119.914 0.067 0.000 2.919 572 V HA 0.952 5.073 4.120 0.002 0.000 0.316 572 V C 0.027 176.129 176.094 0.013 0.000 1.077 572 V CA -0.290 62.016 62.300 0.011 0.000 0.977 572 V CB 1.492 33.378 31.823 0.105 0.000 1.039 572 V HN 1.965 nan 8.190 nan 0.000 0.441 573 V N 1.087 120.969 119.914 -0.053 0.000 2.971 573 V HA 0.680 4.801 4.120 0.002 0.000 0.309 573 V C -0.135 175.942 176.094 -0.028 0.000 1.130 573 V CA 0.113 62.259 62.300 -0.258 0.000 0.964 573 V CB 2.606 34.163 31.823 -0.443 0.000 1.029 573 V HN 1.243 nan 8.190 nan 0.000 0.427 574 T N 3.695 118.190 114.554 -0.098 0.000 2.934 574 T HA 0.527 4.879 4.350 0.002 0.000 0.283 574 T C -0.952 173.755 174.700 0.013 0.000 1.005 574 T CA -0.233 61.853 62.100 -0.024 0.000 1.041 574 T CB 1.176 70.049 68.868 0.007 0.000 1.042 574 T HN 0.822 nan 8.240 nan 0.000 0.505 575 E N 1.993 122.241 120.200 0.081 0.000 2.255 575 E HA 0.357 4.708 4.350 0.002 0.000 0.256 575 E C -1.212 175.397 176.600 0.015 0.000 0.887 575 E CA -0.600 55.822 56.400 0.037 0.000 0.782 575 E CB 0.620 30.379 29.700 0.098 0.000 1.214 575 E HN 0.695 nan 8.360 nan 0.000 0.417 576 E N 2.978 123.156 120.200 -0.037 0.000 2.278 576 E HA 0.624 4.975 4.350 0.002 0.000 0.272 576 E C -1.250 175.313 176.600 -0.062 0.000 0.890 576 E CA -1.254 55.134 56.400 -0.020 0.000 0.770 576 E CB 1.610 31.331 29.700 0.035 0.000 1.212 576 E HN 0.377 nan 8.360 nan 0.000 0.415 577 A N 3.643 126.434 122.820 -0.047 0.000 2.401 577 A HA 0.407 4.728 4.320 0.002 0.000 0.259 577 A C -0.137 177.386 177.584 -0.101 0.000 1.103 577 A CA -0.621 51.376 52.037 -0.066 0.000 0.789 577 A CB 0.238 19.217 19.000 -0.035 0.000 1.035 577 A HN 0.530 nan 8.150 nan 0.000 0.491 578 R N 2.561 122.954 120.500 -0.177 0.000 2.629 578 R HA 0.340 4.681 4.340 0.002 0.000 0.277 578 R C 0.826 177.026 176.300 -0.167 0.000 1.637 578 R CA 0.261 56.171 56.100 -0.317 0.000 1.663 578 R CB 0.377 30.119 30.300 -0.931 0.000 1.228 578 R HN 0.820 nan 8.270 nan 0.000 0.632 579 A N 1.370 124.161 122.820 -0.049 0.000 2.019 579 A HA -0.184 4.138 4.320 0.002 0.000 0.219 579 A C 1.577 179.180 177.584 0.031 0.000 1.164 579 A CA 1.654 53.697 52.037 0.010 0.000 0.644 579 A CB -0.092 18.915 19.000 0.011 0.000 0.805 579 A HN 0.534 nan 8.150 nan 0.000 0.449 580 D N -1.279 119.143 120.400 0.036 0.000 2.309 580 D HA -0.206 4.435 4.640 0.002 0.000 0.212 580 D C 1.173 177.461 176.300 -0.020 0.000 0.968 580 D CA 0.838 54.845 54.000 0.012 0.000 0.882 580 D CB -0.650 40.244 40.800 0.158 0.000 0.918 580 D HN 0.472 nan 8.370 nan 0.000 0.503 581 Y N 1.980 122.279 120.300 -0.001 0.000 2.569 581 Y HA -0.089 4.462 4.550 0.002 0.000 0.293 581 Y C 2.276 178.191 175.900 0.026 0.000 1.144 581 Y CA 0.283 58.456 58.100 0.121 0.000 1.321 581 Y CB -0.638 38.010 38.460 0.314 0.000 0.982 581 Y HN 0.258 nan 8.280 nan 0.000 0.558 582 K N 0.533 121.011 120.400 0.129 0.000 2.211 582 K HA -0.202 4.119 4.320 0.002 0.000 0.204 582 K C 1.713 178.231 176.600 -0.137 0.000 1.047 582 K CA 1.556 57.932 56.287 0.150 0.000 0.935 582 K CB -0.397 32.223 32.500 0.200 0.000 0.728 582 K HN 0.223 nan 8.250 nan 0.000 0.452 583 R N -0.266 119.907 120.500 -0.546 0.000 2.237 583 R HA -0.003 4.339 4.340 0.002 0.000 0.219 583 R C 1.864 177.751 176.300 -0.688 0.000 1.080 583 R CA 0.956 56.561 56.100 -0.825 0.000 0.995 583 R CB -0.389 28.976 30.300 -1.558 0.000 0.875 583 R HN 0.166 nan 8.270 nan 0.000 0.462 584 F N -0.243 119.229 119.950 -0.797 0.000 2.147 584 F HA -0.266 4.263 4.527 0.002 0.000 0.301 584 F C 1.410 176.867 175.800 -0.572 0.000 1.084 584 F CA 1.758 59.361 58.000 -0.661 0.000 1.268 584 F CB -0.049 38.156 39.000 -1.324 0.000 1.009 584 F HN -0.015 nan 8.300 nan 0.000 0.486 585 F N -2.330 117.626 119.950 0.009 0.000 2.680 585 F HA 0.143 4.671 4.527 0.002 0.000 0.290 585 F C 1.915 177.658 175.800 -0.095 0.000 1.114 585 F CA -0.005 57.913 58.000 -0.138 0.000 1.333 585 F CB -0.218 38.366 39.000 -0.694 0.000 1.091 585 F HN -0.218 nan 8.300 nan 0.000 0.606 586 E N 0.014 120.234 120.200 0.033 0.000 2.276 586 E HA -0.050 4.301 4.350 0.002 0.000 0.193 586 E C 0.684 177.326 176.600 0.069 0.000 0.983 586 E CA -0.004 56.449 56.400 0.088 0.000 0.861 586 E CB 0.166 29.922 29.700 0.094 0.000 0.817 586 E HN 0.052 nan 8.360 nan 0.000 0.485 587 Q N 2.318 122.134 119.800 0.026 0.000 2.307 587 Q HA 0.014 4.355 4.340 0.002 0.000 0.261 587 Q C -0.745 175.347 176.000 0.154 0.000 1.051 587 Q CA 0.265 56.109 55.803 0.069 0.000 0.911 587 Q CB 0.530 29.296 28.738 0.046 0.000 1.227 587 Q HN -0.023 nan 8.270 nan 0.000 0.418 588 E N 2.559 122.845 120.200 0.143 0.000 2.360 588 E HA 0.189 4.540 4.350 0.002 0.000 0.269 588 E C -1.042 175.667 176.600 0.182 0.000 1.022 588 E CA -0.312 56.181 56.400 0.155 0.000 0.887 588 E CB 0.816 30.599 29.700 0.139 0.000 0.990 588 E HN 0.428 nan 8.360 nan 0.000 0.426 589 V N 5.573 125.592 119.914 0.175 0.000 2.370 589 V HA 0.065 4.186 4.120 0.002 0.000 0.283 589 V C -0.350 175.836 176.094 0.153 0.000 1.023 589 V CA -0.665 61.743 62.300 0.181 0.000 0.857 589 V CB 0.679 32.594 31.823 0.153 0.000 0.985 589 V HN 0.595 nan 8.190 nan 0.000 0.443 590 Y N 5.642 125.987 120.300 0.075 0.000 2.511 590 Y HA 0.434 4.986 4.550 0.002 0.000 0.332 590 Y C -0.192 175.705 175.900 -0.006 0.000 1.177 590 Y CA 0.296 58.424 58.100 0.047 0.000 1.422 590 Y CB 0.835 39.332 38.460 0.063 0.000 1.271 590 Y HN 0.388 nan 8.280 nan 0.000 0.550 591 V N 8.058 127.384 119.914 -0.979 0.000 2.733 591 V HA 0.322 4.443 4.120 0.002 0.000 0.306 591 V C -2.374 173.125 176.094 -0.992 0.000 1.084 591 V CA -2.103 59.723 62.300 -0.790 0.000 0.905 591 V CB 1.942 33.574 31.823 -0.318 0.000 1.010 591 V HN 0.702 nan 8.190 nan 0.000 0.424 592 P HA 0.171 nan 4.420 nan 0.000 0.266 592 P C -0.152 177.094 177.300 -0.089 0.000 1.195 592 P CA 0.161 63.109 63.100 -0.253 0.000 0.768 592 P CB 0.450 32.124 31.700 -0.043 0.000 0.838 593 A N 3.168 125.977 122.820 -0.019 0.000 2.565 593 A HA 0.375 4.696 4.320 0.002 0.000 0.237 593 A C 1.620 179.231 177.584 0.044 0.000 1.053 593 A CA 0.809 52.855 52.037 0.014 0.000 0.755 593 A CB -1.391 17.628 19.000 0.031 0.000 0.980 593 A HN 0.907 nan 8.150 nan 0.000 0.506 594 G N 0.599 109.419 108.800 0.033 0.000 2.184 594 G HA2 -0.297 3.665 3.960 0.002 0.000 0.264 594 G HA3 -0.297 3.665 3.960 0.002 0.000 0.264 594 G C 0.066 174.982 174.900 0.026 0.000 0.975 594 G CA 0.589 45.700 45.100 0.018 0.000 0.642 594 G HN 1.279 nan 8.290 nan 0.000 0.536 595 W N 2.197 123.427 121.300 -0.117 0.000 2.365 595 W HA 0.626 5.287 4.660 0.002 0.000 0.316 595 W C 0.610 177.043 176.519 -0.143 0.000 1.164 595 W CA 0.203 57.462 57.345 -0.145 0.000 1.204 595 W CB 1.334 30.690 29.460 -0.172 0.000 1.213 595 W HN 0.628 nan 8.180 nan 0.000 0.539 596 S N 4.245 119.619 115.700 -0.544 0.000 2.588 596 S HA 0.971 5.443 4.470 0.002 0.000 0.275 596 S C -0.570 173.522 174.600 -0.848 0.000 1.130 596 S CA -0.513 57.461 58.200 -0.376 0.000 0.855 596 S CB 1.875 64.936 63.200 -0.233 0.000 1.116 596 S HN 1.040 nan 8.310 nan 0.000 0.472 597 G N 0.247 108.850 108.800 -0.329 0.000 2.495 597 G HA2 0.678 4.639 3.960 0.002 0.000 0.294 597 G HA3 0.678 4.639 3.960 0.002 0.000 0.294 597 G C -1.101 173.776 174.900 -0.038 0.000 1.397 597 G CA -0.085 44.840 45.100 -0.291 0.000 0.790 597 G HN 1.477 nan 8.290 nan 0.000 0.486 598 T N -1.640 112.911 114.554 -0.005 0.000 2.893 598 T HA 0.657 5.008 4.350 0.002 0.000 0.293 598 T C 0.219 175.024 174.700 0.175 0.000 1.027 598 T CA -0.876 61.268 62.100 0.073 0.000 0.988 598 T CB 1.671 70.567 68.868 0.047 0.000 1.043 598 T HN 0.474 nan 8.240 nan 0.000 0.461 599 M N 2.362 122.046 119.600 0.140 0.000 2.226 599 M HA 0.248 4.730 4.480 0.002 0.000 0.324 599 M C -1.541 174.715 176.300 -0.074 0.000 1.112 599 M CA -2.473 52.880 55.300 0.087 0.000 1.176 599 M CB 0.095 32.674 32.600 -0.035 0.000 1.430 599 M HN 0.429 nan 8.290 nan 0.000 0.462 600 P HA -0.188 nan 4.420 nan 0.000 0.217 600 P C 0.801 177.928 177.300 -0.288 0.000 1.151 600 P CA 1.526 64.247 63.100 -0.633 0.000 0.849 600 P CB -0.119 30.915 31.700 -1.112 0.000 0.787 601 N N -1.390 117.125 118.700 -0.308 0.000 2.521 601 N HA 0.007 4.748 4.740 0.002 0.000 0.188 601 N C 1.267 176.697 175.510 -0.134 0.000 1.146 601 N CA 1.187 54.098 53.050 -0.232 0.000 0.893 601 N CB -0.762 37.536 38.487 -0.315 0.000 0.975 601 N HN 0.246 nan 8.380 nan 0.000 0.451 602 G N -0.332 108.419 108.800 -0.082 0.000 2.232 602 G HA2 -0.235 3.726 3.960 0.002 0.000 0.226 602 G HA3 -0.235 3.726 3.960 0.002 0.000 0.226 602 G C -0.581 174.297 174.900 -0.037 0.000 0.996 602 G CA 0.028 45.104 45.100 -0.041 0.000 0.626 602 G HN 0.443 nan 8.290 nan 0.000 0.509 603 D N 1.895 122.259 120.400 -0.059 0.000 2.493 603 D HA 0.295 4.937 4.640 0.002 0.000 0.240 603 D C 0.787 177.091 176.300 0.008 0.000 1.142 603 D CA 0.625 54.603 54.000 -0.036 0.000 0.872 603 D CB 0.638 41.404 40.800 -0.057 0.000 1.173 603 D HN 0.406 nan 8.370 nan 0.000 0.467 604 K N 2.222 122.631 120.400 0.015 0.000 2.276 604 K HA 0.337 4.658 4.320 0.002 0.000 0.283 604 K C 0.064 176.703 176.600 0.065 0.000 1.044 604 K CA -0.333 55.974 56.287 0.032 0.000 0.944 604 K CB 0.934 33.444 32.500 0.018 0.000 1.012 604 K HN 0.311 nan 8.250 nan 0.000 0.472 605 I N 4.322 124.958 120.570 0.110 0.000 2.307 605 I HA 0.130 4.301 4.170 0.002 0.000 0.289 605 I C -0.119 176.112 176.117 0.189 0.000 1.021 605 I CA -0.212 61.189 61.300 0.168 0.000 1.224 605 I CB 0.720 38.892 38.000 0.287 0.000 1.376 605 I HN 0.634 nan 8.210 nan 0.000 0.470 606 Q N 5.802 125.670 119.800 0.113 0.000 2.647 606 Q HA 0.515 4.857 4.340 0.002 0.000 0.283 606 Q C -3.069 172.946 176.000 0.025 0.000 0.943 606 Q CA -2.078 53.777 55.803 0.087 0.000 0.813 606 Q CB 1.582 30.351 28.738 0.053 0.000 1.477 606 Q HN 0.119 nan 8.270 nan 0.000 0.393 607 P HA 0.074 nan 4.420 nan 0.000 0.265 607 P C 0.646 177.950 177.300 0.007 0.000 1.187 607 P CA 2.082 65.157 63.100 -0.042 0.000 0.766 607 P CB 0.335 32.010 31.700 -0.042 0.000 0.820 608 G N 1.743 110.556 108.800 0.023 0.000 2.195 608 G HA2 -0.246 3.716 3.960 0.002 0.000 0.246 608 G HA3 -0.246 3.716 3.960 0.002 0.000 0.246 608 G C 0.285 175.228 174.900 0.072 0.000 0.984 608 G CA 0.140 45.273 45.100 0.054 0.000 0.633 608 G HN 0.689 nan 8.290 nan 0.000 0.525 609 I N -1.107 119.502 120.570 0.065 0.000 2.892 609 I HA 0.586 4.757 4.170 0.002 0.000 0.287 609 I C 0.386 176.574 176.117 0.118 0.000 1.205 609 I CA -0.389 60.962 61.300 0.085 0.000 1.409 609 I CB 0.517 38.560 38.000 0.071 0.000 1.367 609 I HN -0.188 nan 8.210 nan 0.000 0.597 610 K N 3.608 124.094 120.400 0.143 0.000 2.139 610 K HA 0.253 4.574 4.320 0.002 0.000 0.243 610 K C 0.311 177.044 176.600 0.222 0.000 0.983 610 K CA -0.734 55.669 56.287 0.193 0.000 0.890 610 K CB 1.239 33.867 32.500 0.213 0.000 1.090 610 K HN 0.741 nan 8.250 nan 0.000 0.445 611 F N 1.313 121.336 119.950 0.122 0.000 2.085 611 F HA -0.316 4.212 4.527 0.002 0.000 0.299 611 F C 1.889 177.784 175.800 0.158 0.000 1.096 611 F CA 1.766 59.845 58.000 0.131 0.000 1.227 611 F CB -0.127 38.956 39.000 0.139 0.000 0.983 611 F HN 0.533 nan 8.300 nan 0.000 0.482 612 I N 0.817 121.598 120.570 0.352 0.000 2.493 612 I HA -0.251 3.920 4.170 0.002 0.000 0.254 612 I C 1.766 177.970 176.117 0.146 0.000 1.160 612 I CA 1.577 63.067 61.300 0.318 0.000 1.445 612 I CB -0.805 37.471 38.000 0.461 0.000 1.086 612 I HN 0.129 nan 8.210 nan 0.000 0.433 613 D N 0.570 121.042 120.400 0.120 0.000 2.263 613 D HA -0.092 4.549 4.640 0.002 0.000 0.208 613 D C 1.849 178.157 176.300 0.013 0.000 0.971 613 D CA 1.692 55.735 54.000 0.072 0.000 0.867 613 D CB -0.133 40.719 40.800 0.086 0.000 0.929 613 D HN 0.621 nan 8.370 nan 0.000 0.492 614 I N -3.035 117.519 120.570 -0.026 0.000 3.974 614 I HA 0.304 4.475 4.170 0.002 0.000 0.334 614 I C 0.395 176.441 176.117 -0.119 0.000 1.437 614 I CA -0.264 61.009 61.300 -0.045 0.000 1.113 614 I CB 0.400 38.402 38.000 0.004 0.000 1.063 614 I HN -0.315 nan 8.210 nan 0.000 0.400 615 R N 0.219 120.635 120.500 -0.141 0.000 2.734 615 R HA 0.268 4.609 4.340 0.002 0.000 0.395 615 R C 0.816 177.044 176.300 -0.119 0.000 1.096 615 R CA -0.122 55.852 56.100 -0.210 0.000 1.071 615 R CB 0.519 30.740 30.300 -0.133 0.000 1.348 615 R HN 0.083 nan 8.270 nan 0.000 0.600 616 T N 1.182 115.646 114.554 -0.150 0.000 2.822 616 T HA -0.167 4.184 4.350 0.002 0.000 0.270 616 T C 1.507 176.114 174.700 -0.156 0.000 1.064 616 T CA 1.433 63.464 62.100 -0.115 0.000 1.131 616 T CB 0.029 68.822 68.868 -0.125 0.000 0.858 616 T HN 0.307 nan 8.240 nan 0.000 0.483 617 K N -0.167 120.059 120.400 -0.289 0.000 2.281 617 K HA -0.113 4.209 4.320 0.002 0.000 0.203 617 K C 1.723 178.361 176.600 0.065 0.000 1.046 617 K CA 0.939 57.079 56.287 -0.245 0.000 0.938 617 K CB -0.195 31.942 32.500 -0.606 0.000 0.737 617 K HN 0.363 nan 8.250 nan 0.000 0.458 618 Y N 1.462 121.837 120.300 0.125 0.000 2.352 618 Y HA -0.105 4.447 4.550 0.002 0.000 0.292 618 Y C 1.856 177.680 175.900 -0.126 0.000 1.136 618 Y CA 0.835 59.072 58.100 0.230 0.000 1.227 618 Y CB -0.100 38.601 38.460 0.401 0.000 0.991 618 Y HN -0.009 nan 8.280 nan 0.000 0.545 619 R N -0.414 119.898 120.500 -0.314 0.000 2.193 619 R HA -0.157 4.184 4.340 0.002 0.000 0.229 619 R C 1.297 177.371 176.300 -0.377 0.000 1.110 619 R CA 1.002 56.535 56.100 -0.946 0.000 0.988 619 R CB -0.075 29.805 30.300 -0.699 0.000 0.871 619 R HN 0.330 nan 8.270 nan 0.000 0.458 620 Q N 0.460 120.198 119.800 -0.105 0.000 2.403 620 Q HA 0.061 4.402 4.340 0.002 0.000 0.203 620 Q C 0.002 176.052 176.000 0.083 0.000 0.932 620 Q CA 0.265 56.066 55.803 -0.005 0.000 0.945 620 Q CB -0.006 28.733 28.738 0.002 0.000 1.045 620 Q HN 0.278 nan 8.270 nan 0.000 0.511 621 D N 1.518 122.021 120.400 0.172 0.000 2.350 621 D HA 0.031 4.672 4.640 0.002 0.000 0.249 621 D C -1.552 174.843 176.300 0.159 0.000 1.119 621 D CA -1.771 52.364 54.000 0.224 0.000 0.886 621 D CB 1.885 42.914 40.800 0.381 0.000 1.195 621 D HN -0.122 nan 8.370 nan 0.000 0.437 622 P HA -0.152 nan 4.420 nan 0.000 0.217 622 P C 0.305 177.474 177.300 -0.219 0.000 1.148 622 P CA 1.317 64.361 63.100 -0.094 0.000 0.828 622 P CB -0.024 31.592 31.700 -0.140 0.000 0.783 623 Y N -3.736 116.609 120.300 0.076 0.000 2.571 623 Y HA 0.147 4.698 4.550 0.002 0.000 0.275 623 Y C 2.036 177.969 175.900 0.054 0.000 1.179 623 Y CA -0.562 57.567 58.100 0.049 0.000 1.242 623 Y CB -0.626 37.845 38.460 0.019 0.000 1.126 623 Y HN -0.088 nan 8.280 nan 0.000 0.524 624 Y N 1.049 121.393 120.300 0.074 0.000 2.163 624 Y HA -0.233 4.318 4.550 0.002 0.000 0.288 624 Y C 1.814 177.775 175.900 0.102 0.000 1.136 624 Y CA 1.813 59.938 58.100 0.042 0.000 1.147 624 Y CB -0.093 38.405 38.460 0.063 0.000 0.987 624 Y HN 0.061 nan 8.280 nan 0.000 0.509 625 D N 0.456 120.908 120.400 0.088 0.000 2.123 625 D HA -0.219 4.422 4.640 0.002 0.000 0.196 625 D C 2.340 178.629 176.300 -0.018 0.000 0.992 625 D CA 1.824 55.844 54.000 0.033 0.000 0.833 625 D CB -0.339 40.511 40.800 0.084 0.000 0.954 625 D HN 0.465 nan 8.370 nan 0.000 0.455 626 I N 0.699 121.276 120.570 0.011 0.000 2.226 626 I HA -0.229 3.943 4.170 0.002 0.000 0.245 626 I C 2.570 178.700 176.117 0.023 0.000 1.100 626 I CA 0.942 62.264 61.300 0.037 0.000 1.374 626 I CB -0.104 37.971 38.000 0.126 0.000 1.057 626 I HN -0.033 nan 8.210 nan 0.000 0.413 627 V N -1.207 118.708 119.914 0.002 0.000 2.649 627 V HA -0.252 3.869 4.120 0.002 0.000 0.248 627 V C 2.348 178.495 176.094 0.088 0.000 1.054 627 V CA 1.098 63.425 62.300 0.044 0.000 1.073 627 V CB -0.803 31.034 31.823 0.023 0.000 0.699 627 V HN 0.397 nan 8.190 nan 0.000 0.463 628 Y N 1.602 121.735 120.300 -0.277 0.000 2.114 628 Y HA -0.139 4.412 4.550 0.002 0.000 0.284 628 Y C 2.719 178.492 175.900 -0.212 0.000 1.143 628 Y CA 2.385 60.218 58.100 -0.445 0.000 1.135 628 Y CB -0.548 37.439 38.460 -0.790 0.000 0.980 628 Y HN 0.277 nan 8.280 nan 0.000 0.499 629 Q N 0.225 119.887 119.800 -0.231 0.000 2.077 629 Q HA -0.215 4.126 4.340 0.002 0.000 0.206 629 Q C 2.565 178.447 176.000 -0.196 0.000 0.989 629 Q CA 1.709 57.362 55.803 -0.249 0.000 0.853 629 Q CB -1.175 27.494 28.738 -0.116 0.000 0.907 629 Q HN 0.609 nan 8.270 nan 0.000 0.418 630 A N 0.310 123.081 122.820 -0.083 0.000 1.883 630 A HA -0.243 4.079 4.320 0.002 0.000 0.217 630 A C 2.037 179.607 177.584 -0.023 0.000 1.186 630 A CA 1.690 53.708 52.037 -0.032 0.000 0.624 630 A CB -1.057 17.963 19.000 0.035 0.000 0.822 630 A HN 0.467 nan 8.150 nan 0.000 0.444 631 Y N 0.676 120.912 120.300 -0.107 0.000 2.114 631 Y HA -0.207 4.344 4.550 0.002 0.000 0.282 631 Y C 1.889 177.664 175.900 -0.208 0.000 1.165 631 Y CA 1.939 59.983 58.100 -0.094 0.000 1.148 631 Y CB -0.437 37.999 38.460 -0.040 0.000 0.972 631 Y HN 0.213 nan 8.280 nan 0.000 0.504 632 L N -0.055 120.835 121.223 -0.555 0.000 2.191 632 L HA -0.188 4.153 4.340 0.002 0.000 0.212 632 L C 2.141 178.771 176.870 -0.399 0.000 1.103 632 L CA 1.451 55.926 54.840 -0.607 0.000 0.769 632 L CB -0.403 41.322 42.059 -0.556 0.000 0.908 632 L HN 0.205 nan 8.230 nan 0.000 0.438 633 R N -0.333 119.997 120.500 -0.284 0.000 2.317 633 R HA 0.150 4.491 4.340 0.002 0.000 0.208 633 R C 1.138 177.341 176.300 -0.160 0.000 0.914 633 R CA 0.521 56.508 56.100 -0.188 0.000 1.060 633 R CB 0.315 30.536 30.300 -0.132 0.000 1.015 633 R HN 0.349 nan 8.270 nan 0.000 0.498 634 G N 1.769 110.454 108.800 -0.193 0.000 2.221 634 G HA2 -0.305 3.656 3.960 0.002 0.000 0.265 634 G HA3 -0.305 3.656 3.960 0.002 0.000 0.265 634 G C -0.358 174.507 174.900 -0.059 0.000 1.041 634 G CA 0.226 45.251 45.100 -0.125 0.000 0.807 634 G HN 0.386 nan 8.290 nan 0.000 0.502 635 E N -0.533 119.642 120.200 -0.043 0.000 2.256 635 E HA 0.673 5.025 4.350 0.002 0.000 0.267 635 E C 0.405 177.014 176.600 0.016 0.000 0.892 635 E CA -0.398 55.991 56.400 -0.018 0.000 0.775 635 E CB 1.625 31.306 29.700 -0.032 0.000 1.207 635 E HN 0.651 nan 8.360 nan 0.000 0.420 636 A N 3.936 126.763 122.820 0.011 0.000 2.454 636 A HA 0.315 4.636 4.320 0.002 0.000 0.260 636 A C -2.104 175.484 177.584 0.006 0.000 1.106 636 A CA -1.071 50.976 52.037 0.016 0.000 0.780 636 A CB -0.322 18.675 19.000 -0.004 0.000 1.044 636 A HN 0.314 nan 8.150 nan 0.000 0.498 637 P HA 0.293 nan 4.420 nan 0.000 0.275 637 P C -0.733 176.541 177.300 -0.043 0.000 1.228 637 P CA -0.128 62.981 63.100 0.016 0.000 0.786 637 P CB 1.046 32.798 31.700 0.087 0.000 0.927 638 V N 3.909 123.795 119.914 -0.047 0.000 2.417 638 V HA 0.331 4.452 4.120 0.002 0.000 0.291 638 V C 0.375 176.387 176.094 -0.137 0.000 1.024 638 V CA -0.453 61.797 62.300 -0.084 0.000 0.861 638 V CB 1.066 32.854 31.823 -0.058 0.000 0.985 638 V HN 0.386 nan 8.190 nan 0.000 0.436 639 L N 4.699 125.785 121.223 -0.229 0.000 2.342 639 L HA 0.616 4.957 4.340 0.002 0.000 0.271 639 L C -0.087 176.486 176.870 -0.496 0.000 1.008 639 L CA -0.393 54.175 54.840 -0.455 0.000 0.818 639 L CB 2.032 43.689 42.059 -0.670 0.000 1.296 639 L HN 0.518 nan 8.230 nan 0.000 0.427 640 N N 1.811 120.146 118.700 -0.608 0.000 2.392 640 N HA 0.432 5.173 4.740 0.002 0.000 0.283 640 N C -1.518 173.632 175.510 -0.601 0.000 1.003 640 N CA -0.333 52.438 53.050 -0.465 0.000 0.892 640 N CB 1.577 39.888 38.487 -0.294 0.000 1.193 640 N HN 0.439 nan 8.380 nan 0.000 0.487 641 Y N 0.019 120.171 120.300 -0.248 0.000 2.499 641 Y HA 0.285 4.836 4.550 0.002 0.000 0.347 641 Y C -0.183 175.507 175.900 -0.350 0.000 0.987 641 Y CA -0.988 56.973 58.100 -0.233 0.000 1.044 641 Y CB 1.761 40.116 38.460 -0.174 0.000 1.245 641 Y HN 0.467 nan 8.280 nan 0.000 0.461 642 H N 1.542 120.669 119.070 0.095 0.000 2.539 642 H HA 0.366 4.923 4.556 0.002 0.000 0.247 642 H C -0.760 174.582 175.328 0.024 0.000 1.363 642 H CA -0.802 55.287 56.048 0.069 0.000 1.371 642 H CB 0.276 30.070 29.762 0.053 0.000 1.438 642 H HN 0.357 nan 8.280 nan 0.000 0.523 643 R N 1.386 121.801 120.500 -0.142 0.000 2.347 643 R HA 0.030 4.371 4.340 0.002 0.000 0.304 643 R C 0.637 176.814 176.300 -0.205 0.000 1.072 643 R CA -0.329 55.536 56.100 -0.392 0.000 0.980 643 R CB 0.511 30.194 30.300 -1.028 0.000 0.986 643 R HN 0.496 nan 8.270 nan 0.000 0.448 644 F N 4.521 124.351 119.950 -0.200 0.000 2.063 644 F HA -0.323 4.205 4.527 0.002 0.000 0.298 644 F C 1.849 177.531 175.800 -0.197 0.000 1.105 644 F CA 1.882 59.760 58.000 -0.202 0.000 1.215 644 F CB -0.071 38.807 39.000 -0.204 0.000 0.972 644 F HN 0.720 nan 8.300 nan 0.000 0.483 645 W N -0.034 121.145 121.300 -0.202 0.000 2.402 645 W HA -0.143 4.518 4.660 0.002 0.000 0.286 645 W C 1.971 178.331 176.519 -0.266 0.000 1.221 645 W CA 1.369 58.425 57.345 -0.482 0.000 1.257 645 W CB -1.668 27.422 29.460 -0.616 0.000 1.120 645 W HN 0.244 nan 8.180 nan 0.000 0.551 646 H N 1.068 119.586 119.070 -0.919 0.000 2.319 646 H HA -0.145 4.412 4.556 0.002 0.000 0.299 646 H C 2.282 177.411 175.328 -0.332 0.000 1.092 646 H CA 1.756 57.371 56.048 -0.722 0.000 1.302 646 H CB 0.182 29.545 29.762 -0.666 0.000 1.373 646 H HN 0.080 nan 8.280 nan 0.000 0.497 647 E N 0.519 120.597 120.200 -0.204 0.000 2.077 647 E HA -0.111 4.240 4.350 0.002 0.000 0.193 647 E C 2.526 179.000 176.600 -0.211 0.000 0.989 647 E CA 0.664 56.941 56.400 -0.205 0.000 0.800 647 E CB -0.331 29.150 29.700 -0.366 0.000 0.746 647 E HN 0.290 nan 8.360 nan 0.000 0.452 648 V N 2.080 121.810 119.914 -0.308 0.000 2.379 648 V HA -0.194 3.928 4.120 0.002 0.000 0.245 648 V C 2.071 178.191 176.094 0.044 0.000 1.044 648 V CA 1.747 63.967 62.300 -0.133 0.000 1.036 648 V CB -0.443 31.331 31.823 -0.083 0.000 0.664 648 V HN 0.095 nan 8.190 nan 0.000 0.453 649 D N -0.048 120.427 120.400 0.124 0.000 2.149 649 D HA -0.155 4.486 4.640 0.002 0.000 0.198 649 D C 1.988 178.352 176.300 0.107 0.000 0.990 649 D CA 1.238 55.380 54.000 0.238 0.000 0.839 649 D CB -0.076 41.021 40.800 0.495 0.000 0.948 649 D HN 0.328 nan 8.370 nan 0.000 0.460 650 L N 0.823 122.087 121.223 0.068 0.000 2.027 650 L HA -0.032 4.309 4.340 0.002 0.000 0.206 650 L C 2.171 179.082 176.870 0.067 0.000 1.074 650 L CA 1.913 56.794 54.840 0.069 0.000 0.745 650 L CB -0.876 41.236 42.059 0.088 0.000 0.898 650 L HN -0.046 nan 8.230 nan 0.000 0.433 651 A N -1.124 121.735 122.820 0.065 0.000 1.902 651 A HA -0.152 4.169 4.320 0.002 0.000 0.217 651 A C 2.268 180.002 177.584 0.250 0.000 1.181 651 A CA 2.028 54.157 52.037 0.153 0.000 0.623 651 A CB -1.111 17.934 19.000 0.074 0.000 0.818 651 A HN 0.311 nan 8.150 nan 0.000 0.443 652 V N -0.227 119.714 119.914 0.046 0.000 2.427 652 V HA -0.214 3.907 4.120 0.002 0.000 0.248 652 V C 3.027 179.031 176.094 -0.149 0.000 1.051 652 V CA 1.720 63.917 62.300 -0.171 0.000 1.048 652 V CB -1.128 30.311 31.823 -0.640 0.000 0.666 652 V HN 0.623 nan 8.190 nan 0.000 0.456 653 A N -0.328 122.450 122.820 -0.070 0.000 1.908 653 A HA -0.278 4.043 4.320 0.002 0.000 0.218 653 A C 2.233 179.778 177.584 -0.066 0.000 1.181 653 A CA 2.349 54.363 52.037 -0.040 0.000 0.627 653 A CB -0.492 18.510 19.000 0.004 0.000 0.818 653 A HN 0.502 nan 8.150 nan 0.000 0.445 654 M N -0.640 118.950 119.600 -0.017 0.000 2.080 654 M HA -0.124 4.357 4.480 0.002 0.000 0.260 654 M C 2.310 178.582 176.300 -0.046 0.000 1.068 654 M CA 1.584 56.890 55.300 0.010 0.000 1.109 654 M CB -0.670 32.013 32.600 0.138 0.000 1.342 654 M HN 0.498 nan 8.290 nan 0.000 0.405 655 G N -0.431 108.276 108.800 -0.154 0.000 2.432 655 G HA2 -0.127 3.834 3.960 0.002 0.000 0.219 655 G HA3 -0.127 3.834 3.960 0.002 0.000 0.219 655 G C 1.487 176.192 174.900 -0.325 0.000 1.135 655 G CA 0.774 45.617 45.100 -0.430 0.000 0.767 655 G HN 0.319 nan 8.290 nan 0.000 0.550 656 V N 0.870 120.677 119.914 -0.177 0.000 2.295 656 V HA -0.104 4.017 4.120 0.002 0.000 0.246 656 V C 2.830 178.954 176.094 0.049 0.000 1.049 656 V CA 1.054 63.337 62.300 -0.029 0.000 1.024 656 V CB -0.393 31.476 31.823 0.076 0.000 0.648 656 V HN 0.202 nan 8.190 nan 0.000 0.447 657 L N 0.438 121.672 121.223 0.018 0.000 2.012 657 L HA -0.154 4.187 4.340 0.002 0.000 0.210 657 L C 2.675 179.594 176.870 0.081 0.000 1.073 657 L CA 2.501 57.393 54.840 0.087 0.000 0.748 657 L CB -1.839 40.060 42.059 -0.267 0.000 0.891 657 L HN 0.366 nan 8.230 nan 0.000 0.431 658 A N -1.691 121.115 122.820 -0.023 0.000 1.972 658 A HA -0.181 4.140 4.320 0.002 0.000 0.219 658 A C 2.356 179.812 177.584 -0.213 0.000 1.169 658 A CA 2.171 54.165 52.037 -0.072 0.000 0.635 658 A CB -0.688 18.230 19.000 -0.138 0.000 0.810 658 A HN 0.449 nan 8.150 nan 0.000 0.446 659 T N -1.876 112.469 114.554 -0.349 0.000 2.852 659 T HA -0.006 4.345 4.350 0.002 0.000 0.256 659 T C 1.453 175.761 174.700 -0.653 0.000 1.038 659 T CA 1.530 63.265 62.100 -0.609 0.000 1.141 659 T CB -0.296 68.038 68.868 -0.889 0.000 0.869 659 T HN 0.622 nan 8.240 nan 0.000 0.439 660 Y N -0.853 119.253 120.300 -0.322 0.000 2.481 660 Y HA 0.377 4.928 4.550 0.002 0.000 0.258 660 Y C 0.151 175.450 175.900 -1.001 0.000 1.103 660 Y CA -0.384 57.324 58.100 -0.654 0.000 1.287 660 Y CB 0.491 38.473 38.460 -0.797 0.000 1.108 660 Y HN 0.087 nan 8.280 nan 0.000 0.529 661 F N 0.647 120.635 119.950 0.063 0.000 2.584 661 F HA 0.372 4.901 4.527 0.002 0.000 0.328 661 F C -2.106 173.714 175.800 0.032 0.000 1.407 661 F CA -2.761 55.267 58.000 0.046 0.000 1.145 661 F CB 0.751 39.781 39.000 0.051 0.000 1.440 661 F HN -0.164 nan 8.300 nan 0.000 0.580 662 P HA -0.092 nan 4.420 nan 0.000 0.230 662 P C 0.607 177.946 177.300 0.065 0.000 1.158 662 P CA 1.252 64.371 63.100 0.032 0.000 0.769 662 P CB 0.491 32.165 31.700 -0.043 0.000 0.807 663 D N -1.131 119.327 120.400 0.097 0.000 2.346 663 D HA 0.105 4.747 4.640 0.002 0.000 0.206 663 D C 1.171 177.527 176.300 0.094 0.000 1.001 663 D CA 0.319 54.364 54.000 0.074 0.000 0.871 663 D CB -0.083 40.756 40.800 0.065 0.000 0.943 663 D HN 0.243 nan 8.370 nan 0.000 0.518 664 M N 0.140 119.842 119.600 0.171 0.000 2.232 664 M HA 0.098 4.580 4.480 0.002 0.000 0.321 664 M C 0.268 176.656 176.300 0.147 0.000 1.101 664 M CA 0.857 56.280 55.300 0.205 0.000 1.181 664 M CB 0.961 33.748 32.600 0.311 0.000 1.432 664 M HN -0.306 nan 8.290 nan 0.000 0.457 665 T N 1.072 115.645 114.554 0.032 0.000 3.032 665 T HA 0.275 4.626 4.350 0.002 0.000 0.312 665 T C -1.449 173.055 174.700 -0.328 0.000 1.078 665 T CA -0.575 61.390 62.100 -0.226 0.000 1.028 665 T CB 0.737 69.547 68.868 -0.097 0.000 1.091 665 T HN 0.459 nan 8.240 nan 0.000 0.457 666 Y N 3.086 122.937 120.300 -0.747 0.000 2.702 666 Y HA 0.412 4.963 4.550 0.002 0.000 0.336 666 Y C 0.063 175.870 175.900 -0.154 0.000 1.235 666 Y CA 0.421 58.280 58.100 -0.402 0.000 1.492 666 Y CB 0.112 38.342 38.460 -0.383 0.000 1.308 666 Y HN 0.692 nan 8.280 nan 0.000 0.589 667 K N 5.628 125.473 120.400 -0.925 0.000 2.464 667 K HA 0.653 4.975 4.320 0.002 0.000 0.253 667 K C -1.206 174.755 176.600 -1.065 0.000 0.933 667 K CA -0.408 55.421 56.287 -0.764 0.000 0.801 667 K CB 0.750 33.035 32.500 -0.358 0.000 1.271 667 K HN 1.290 nan 8.250 nan 0.000 0.430 668 V N 1.525 121.005 119.914 -0.723 0.000 2.599 668 V HA 0.462 4.584 4.120 0.002 0.000 0.300 668 V C -1.788 173.989 176.094 -0.529 0.000 1.034 668 V CA -0.863 61.046 62.300 -0.651 0.000 1.115 668 V CB 0.210 31.731 31.823 -0.505 0.000 0.934 668 V HN 0.889 nan 8.190 nan 0.000 0.485 669 P HA 0.000 nan 4.420 nan 0.000 0.216 669 P CA 0.000 62.945 63.100 -0.258 0.000 0.800 669 P CB 0.000 31.634 31.700 -0.111 0.000 0.726