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 1k3i_1_A DATA FIRST_RESID -12 DATA SEQUENCE IPEGSLQFLS LRXASAPIGS AISRNNWAVT CDSAQSGNEC NKAIDGNKDT DATA SEQUENCE FWHTFYGANG DPKPPHTYTI DMKTTQNVNG LSMLPRQDGN QNGWIGRHEV DATA SEQUENCE YLSSDGTNWG SPVASGSWFA DSTTKYSNFE TRPARYVRLV AITEANGQPW DATA SEQUENCE TSIAEINVFQ ASSYTAPQPG LGRWGPTIDL PIVPAAAAIE PTSGRVLMWS DATA SEQUENCE SYRNDAFGGS PGGITLTSSW DPSTGIVSDR TVTVTKHDMF XPGISMDGNG DATA SEQUENCE QIVVTGGNDA KKTSLYDSSS DSWIPGPDMQ VARGYQSSAT MSDGRVFTIG DATA SEQUENCE GSWSGGVFEK NGEVYSPSSK TWTSLPNAKV NPMLTADKQG LYRSDNHAWL DATA SEQUENCE FGWKKGSVFQ AGPSTAMNWY YTSGSGDVKS AGKRQSNRGV APDAMCGNAV DATA SEQUENCE MYDAVKGKIL TFGGSPDYQD SDATTNAHII TLGEPGTSPN TVFASNGLYF DATA SEQUENCE ARTFHTSVVL PDGSTFITGG QRRGIPFEDS TPVFTPEIYV PEQDTFYKQN DATA SEQUENCE PNSIVRVYHS ISLLLPDGRV FNGGGGLCGD CTTNHFDAQI FTPNYLYNSN DATA SEQUENCE GNLATRPKIT RTSTQSVKVG GRITISTDSS ISKASLIRYG TATHTVNTDQ DATA SEQUENCE RRIPLTLTNN GGNSYSFQVP SDSGVALPGY WMLFVMNSAG VPSVASTIRV DATA SEQUENCE TQ 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 -12 I HA 0.000 nan 4.170 nan 0.000 0.288 -12 I C 0.000 176.144 176.117 0.045 0.000 1.063 -12 I CA 0.000 61.326 61.300 0.044 0.000 1.566 -12 I CB 0.000 38.021 38.000 0.034 0.000 1.214 -11 P HA 0.587 nan 4.420 nan 0.000 0.275 -11 P C -0.569 176.798 177.300 0.111 0.000 1.266 -11 P CA -0.159 62.972 63.100 0.050 0.000 0.793 -11 P CB 0.930 32.623 31.700 -0.012 0.000 1.074 -10 E N -0.209 120.049 120.200 0.098 0.000 2.229 -10 E HA 0.398 4.747 4.350 -0.001 0.000 0.283 -10 E C 0.906 177.655 176.600 0.248 0.000 1.030 -10 E CA 0.470 56.936 56.400 0.110 0.000 0.836 -10 E CB 0.730 30.464 29.700 0.057 0.000 1.068 -10 E HN 0.815 nan 8.360 nan 0.000 0.401 -9 G N 3.275 112.160 108.800 0.142 0.000 2.569 -9 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.259 -9 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.259 -9 G C -0.257 174.723 174.900 0.133 0.000 1.263 -9 G CA 0.063 45.234 45.100 0.118 0.000 0.928 -9 G HN 0.979 nan 8.290 nan 0.000 0.572 -8 S N -2.253 113.415 115.700 -0.053 0.000 2.625 -8 S HA 0.633 5.102 4.470 -0.001 0.000 0.271 -8 S C 0.577 174.756 174.600 -0.701 0.000 1.161 -8 S CA 0.310 58.141 58.200 -0.616 0.000 0.820 -8 S CB 1.705 64.784 63.200 -0.202 0.000 1.137 -8 S HN 1.899 nan 8.310 nan 0.000 0.470 -7 L N 1.392 122.023 121.223 -0.986 0.000 2.141 -7 L HA 0.055 4.394 4.340 -0.001 0.000 0.209 -7 L C 2.717 179.544 176.870 -0.073 0.000 1.094 -7 L CA 2.099 56.751 54.840 -0.313 0.000 0.763 -7 L CB -0.905 41.071 42.059 -0.139 0.000 0.908 -7 L HN 0.980 nan 8.230 nan 0.000 0.437 -6 Q N -1.399 118.374 119.800 -0.045 0.000 2.181 -6 Q HA -0.242 4.097 4.340 -0.001 0.000 0.205 -6 Q C 1.403 177.362 176.000 -0.068 0.000 0.980 -6 Q CA 1.942 57.733 55.803 -0.021 0.000 0.862 -6 Q CB -0.107 28.654 28.738 0.038 0.000 0.905 -6 Q HN 0.550 nan 8.270 nan 0.000 0.429 -5 F N -0.302 119.652 119.950 0.007 0.000 2.695 -5 F HA 0.274 4.801 4.527 0.000 0.000 0.303 -5 F C 0.261 176.127 175.800 0.109 0.000 1.091 -5 F CA -0.115 57.971 58.000 0.143 0.000 1.300 -5 F CB 0.484 39.612 39.000 0.213 0.000 1.071 -5 F HN -0.026 nan 8.300 nan 0.000 0.578 -4 L N 0.443 121.688 121.223 0.037 0.000 3.601 -4 L HA -0.268 4.071 4.340 -0.001 0.000 0.469 -4 L C 0.117 176.976 176.870 -0.018 0.000 1.294 -4 L CA -0.224 54.354 54.840 -0.436 0.000 0.829 -4 L CB -2.283 39.325 42.059 -0.753 0.000 1.628 -4 L HN 0.050 nan 8.230 nan 0.000 0.868 -3 S N 0.534 116.477 115.700 0.405 0.000 2.617 -3 S HA 0.799 5.268 4.470 -0.001 0.000 0.269 -3 S C 0.124 175.077 174.600 0.589 0.000 1.292 -3 S CA -0.435 58.063 58.200 0.496 0.000 1.010 -3 S CB 1.962 65.427 63.200 0.443 0.000 0.944 -3 S HN 0.323 nan 8.310 nan 0.000 0.536 -2 L N 0.901 122.383 121.223 0.432 0.000 2.466 -2 L HA 0.527 4.866 4.340 -0.001 0.000 0.258 -2 L C 0.118 177.136 176.870 0.246 0.000 0.973 -2 L CA -0.801 54.255 54.840 0.361 0.000 0.826 -2 L CB 2.042 44.387 42.059 0.477 0.000 1.372 -2 L HN 0.555 nan 8.230 nan 0.000 0.409 2 S N 0.629 116.219 115.700 -0.184 0.000 2.548 2 S HA 0.626 5.096 4.470 -0.001 0.000 0.277 2 S C 0.616 174.706 174.600 -0.849 0.000 1.315 2 S CA 0.346 58.258 58.200 -0.481 0.000 1.050 2 S CB 0.458 63.250 63.200 -0.680 0.000 0.918 2 S HN 2.090 nan 8.310 nan 0.000 0.497 3 A N 5.908 128.116 122.820 -1.020 0.000 2.257 3 A HA 0.783 5.102 4.320 -0.001 0.000 0.289 3 A C -2.305 174.882 177.584 -0.662 0.000 1.095 3 A CA -1.598 49.658 52.037 -1.300 0.000 0.836 3 A CB -0.050 18.332 19.000 -1.029 0.000 1.111 3 A HN 0.732 nan 8.150 nan 0.000 0.497 4 P HA 0.301 nan 4.420 nan 0.000 0.276 4 P C -0.770 176.373 177.300 -0.262 0.000 1.261 4 P CA -0.241 62.640 63.100 -0.365 0.000 0.800 4 P CB 0.595 32.068 31.700 -0.377 0.000 1.066 5 I N 0.689 121.174 120.570 -0.143 0.000 2.260 5 I HA 0.446 4.615 4.170 -0.001 0.000 0.297 5 I C 1.067 177.159 176.117 -0.042 0.000 1.143 5 I CA 0.547 61.803 61.300 -0.074 0.000 1.271 5 I CB -0.456 37.521 38.000 -0.038 0.000 1.461 5 I HN 0.542 nan 8.210 nan 0.000 0.530 6 G N 3.513 112.320 108.800 0.012 0.000 2.342 6 G HA2 0.430 4.390 3.960 -0.001 0.000 0.297 6 G HA3 0.430 4.390 3.960 -0.001 0.000 0.297 6 G C -1.387 173.654 174.900 0.235 0.000 1.313 6 G CA -0.540 44.623 45.100 0.105 0.000 0.830 6 G HN 0.433 nan 8.290 nan 0.000 0.506 7 S N -0.891 114.949 115.700 0.234 0.000 2.532 7 S HA 0.818 5.287 4.470 -0.001 0.000 0.301 7 S C 0.294 174.938 174.600 0.072 0.000 1.083 7 S CA 0.117 58.438 58.200 0.203 0.000 1.025 7 S CB 1.753 65.004 63.200 0.084 0.000 1.056 7 S HN 2.131 nan 8.310 nan 0.000 0.494 8 A N 2.538 125.265 122.820 -0.155 0.000 2.488 8 A HA 0.460 4.779 4.320 -0.001 0.000 0.249 8 A C 0.197 177.628 177.584 -0.254 0.000 1.083 8 A CA -0.479 51.223 52.037 -0.558 0.000 0.768 8 A CB -0.556 18.134 19.000 -0.517 0.000 1.017 8 A HN 0.833 nan 8.150 nan 0.000 0.496 9 I N 1.995 122.447 120.570 -0.196 0.000 2.474 9 I HA 0.083 4.253 4.170 -0.001 0.000 0.287 9 I C 1.173 177.184 176.117 -0.176 0.000 1.048 9 I CA 0.034 61.311 61.300 -0.038 0.000 1.383 9 I CB 1.373 39.493 38.000 0.200 0.000 1.412 9 I HN 0.684 nan 8.210 nan 0.000 0.531 10 S N 5.173 120.774 115.700 -0.166 0.000 2.537 10 S HA 0.094 4.563 4.470 -0.001 0.000 0.286 10 S C 1.027 175.267 174.600 -0.600 0.000 1.299 10 S CA -0.069 57.957 58.200 -0.290 0.000 1.067 10 S CB 0.200 63.303 63.200 -0.163 0.000 0.864 10 S HN 0.564 nan 8.310 nan 0.000 0.494 11 R N 2.740 122.712 120.500 -0.880 0.000 2.362 11 R HA 0.075 4.415 4.340 -0.001 0.000 0.227 11 R C 1.790 177.683 176.300 -0.678 0.000 0.905 11 R CA 0.173 55.367 56.100 -1.510 0.000 1.067 11 R CB -0.129 29.311 30.300 -1.434 0.000 1.078 11 R HN 0.773 nan 8.270 nan 0.000 0.516 12 N N 1.301 119.780 118.700 -0.369 0.000 2.205 12 N HA -0.204 4.536 4.740 -0.001 0.000 0.186 12 N C 0.637 176.109 175.510 -0.063 0.000 1.015 12 N CA 1.333 54.283 53.050 -0.167 0.000 0.862 12 N CB -0.259 38.158 38.487 -0.117 0.000 0.986 12 N HN 0.180 nan 8.380 nan 0.000 0.429 13 N N -0.947 117.746 118.700 -0.012 0.000 2.236 13 N HA 0.018 4.758 4.740 -0.001 0.000 0.196 13 N C -0.475 175.174 175.510 0.232 0.000 1.114 13 N CA -0.189 52.918 53.050 0.094 0.000 0.859 13 N CB -0.036 38.504 38.487 0.088 0.000 0.982 13 N HN 0.202 nan 8.380 nan 0.000 0.493 14 W N 1.810 123.097 121.300 -0.022 0.000 2.158 14 W HA 0.347 5.006 4.660 -0.002 0.000 0.339 14 W C 0.501 177.011 176.519 -0.016 0.000 1.294 14 W CA -1.314 56.019 57.345 -0.019 0.000 1.231 14 W CB 0.149 29.610 29.460 0.002 0.000 1.143 14 W HN -0.122 nan 8.180 nan 0.000 0.571 15 A N 3.507 126.422 122.820 0.158 0.000 2.291 15 A HA 0.664 4.983 4.320 -0.001 0.000 0.311 15 A C -0.877 176.719 177.584 0.021 0.000 1.224 15 A CA -0.667 51.413 52.037 0.070 0.000 0.821 15 A CB 0.489 19.508 19.000 0.032 0.000 1.172 15 A HN 0.607 nan 8.150 nan 0.000 0.494 16 V N 0.921 120.832 119.914 -0.005 0.000 2.667 16 V HA 0.978 5.098 4.120 -0.001 0.000 0.308 16 V C -0.124 175.810 176.094 -0.268 0.000 1.048 16 V CA -0.049 62.158 62.300 -0.156 0.000 0.928 16 V CB 1.289 33.026 31.823 -0.144 0.000 1.004 16 V HN 1.156 nan 8.190 nan 0.000 0.444 17 T N 0.608 114.913 114.554 -0.416 0.000 2.916 17 T HA 0.800 5.149 4.350 -0.001 0.000 0.305 17 T C -0.359 174.012 174.700 -0.549 0.000 1.119 17 T CA -0.272 61.609 62.100 -0.365 0.000 1.008 17 T CB 1.109 69.864 68.868 -0.189 0.000 1.129 17 T HN 1.883 nan 8.240 nan 0.000 0.480 18 C N 1.032 120.076 119.300 -0.427 0.000 3.080 18 C HA 0.741 5.201 4.460 -0.001 0.000 0.307 18 C C 1.352 176.271 174.990 -0.119 0.000 1.311 18 C CA -0.315 58.474 59.018 -0.383 0.000 1.533 18 C CB 1.596 28.979 27.740 -0.595 0.000 1.970 18 C HN 1.002 nan 8.230 nan 0.000 0.467 19 D N 1.267 121.680 120.400 0.022 0.000 2.219 19 D HA 0.023 4.662 4.640 -0.001 0.000 0.205 19 D C 0.595 176.873 176.300 -0.037 0.000 0.970 19 D CA 1.648 55.670 54.000 0.036 0.000 0.851 19 D CB 0.004 40.882 40.800 0.130 0.000 0.943 19 D HN 1.136 nan 8.370 nan 0.000 0.488 20 S N -1.398 114.289 115.700 -0.022 0.000 2.578 20 S HA 0.628 5.097 4.470 -0.001 0.000 0.272 20 S C -1.738 172.841 174.600 -0.035 0.000 1.145 20 S CA -0.481 57.492 58.200 -0.378 0.000 0.835 20 S CB 1.774 64.452 63.200 -0.870 0.000 1.104 20 S HN 0.607 nan 8.310 nan 0.000 0.458 21 A N 1.330 124.074 122.820 -0.127 0.000 2.491 21 A HA 0.716 5.035 4.320 -0.001 0.000 0.293 21 A C -0.786 177.025 177.584 0.379 0.000 1.047 21 A CA -0.545 51.673 52.037 0.302 0.000 0.735 21 A CB 1.643 20.894 19.000 0.419 0.000 1.281 21 A HN 0.960 nan 8.150 nan 0.000 0.398 22 Q N 1.080 121.114 119.800 0.391 0.000 2.392 22 Q HA 0.401 4.740 4.340 -0.001 0.000 0.262 22 Q C 0.571 176.662 176.000 0.153 0.000 1.003 22 Q CA 0.549 56.506 55.803 0.256 0.000 0.888 22 Q CB 0.786 29.557 28.738 0.056 0.000 1.260 22 Q HN 0.878 nan 8.270 nan 0.000 0.435 23 S N 2.071 117.805 115.700 0.057 0.000 2.516 23 S HA 0.407 4.876 4.470 -0.001 0.000 0.282 23 S C 0.826 175.428 174.600 0.004 0.000 1.286 23 S CA 0.867 59.087 58.200 0.034 0.000 1.066 23 S CB -0.419 62.775 63.200 -0.010 0.000 0.884 23 S HN 1.019 nan 8.310 nan 0.000 0.491 24 G N 4.539 113.349 108.800 0.017 0.000 2.232 24 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.226 24 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.226 24 G C 0.044 174.925 174.900 -0.033 0.000 0.996 24 G CA 0.129 45.218 45.100 -0.019 0.000 0.626 24 G HN 0.718 nan 8.290 nan 0.000 0.509 25 N N 1.275 119.998 118.700 0.039 0.000 2.599 25 N HA 0.458 5.197 4.740 -0.001 0.000 0.309 25 N C -0.336 175.332 175.510 0.262 0.000 1.743 25 N CA -0.437 52.660 53.050 0.080 0.000 0.918 25 N CB 0.870 39.429 38.487 0.119 0.000 1.339 25 N HN 0.351 nan 8.380 nan 0.000 0.493 26 E N -0.205 120.116 120.200 0.201 0.000 2.442 26 E HA -0.088 4.261 4.350 -0.001 0.000 0.260 26 E C 0.911 177.700 176.600 0.315 0.000 1.148 26 E CA -0.059 56.479 56.400 0.231 0.000 0.976 26 E CB 0.440 30.216 29.700 0.127 0.000 0.967 26 E HN 0.285 nan 8.360 nan 0.000 0.454 27 C N 1.865 121.276 119.300 0.184 0.000 2.432 27 C HA -0.103 4.356 4.460 -0.001 0.000 0.280 27 C C 1.595 176.657 174.990 0.121 0.000 1.353 27 C CA 1.035 60.041 59.018 -0.021 0.000 1.766 27 C CB -1.422 26.123 27.740 -0.325 0.000 1.924 27 C HN 0.822 nan 8.230 nan 0.000 0.509 28 N N 0.136 118.905 118.700 0.114 0.000 2.521 28 N HA -0.033 4.706 4.740 -0.001 0.000 0.188 28 N C 1.310 176.912 175.510 0.153 0.000 1.146 28 N CA 0.598 53.729 53.050 0.134 0.000 0.893 28 N CB -0.524 38.013 38.487 0.083 0.000 0.975 28 N HN 0.356 nan 8.380 nan 0.000 0.451 29 K N 0.279 120.790 120.400 0.185 0.000 2.365 29 K HA 0.135 4.454 4.320 -0.001 0.000 0.199 29 K C 1.302 178.017 176.600 0.192 0.000 1.045 29 K CA 0.772 57.157 56.287 0.163 0.000 0.962 29 K CB -0.151 32.446 32.500 0.162 0.000 0.759 29 K HN 0.427 nan 8.250 nan 0.000 0.469 30 A N 1.100 124.068 122.820 0.248 0.000 2.218 30 A HA 0.074 4.393 4.320 -0.001 0.000 0.209 30 A C 1.523 179.168 177.584 0.101 0.000 1.168 30 A CA 0.170 52.310 52.037 0.173 0.000 0.804 30 A CB -0.347 18.704 19.000 0.085 0.000 0.834 30 A HN 0.381 nan 8.150 nan 0.000 0.482 31 I N -3.855 116.788 120.570 0.123 0.000 3.621 31 I HA 0.291 4.460 4.170 -0.001 0.000 0.325 31 I C 0.136 176.255 176.117 0.004 0.000 1.554 31 I CA -0.067 61.267 61.300 0.057 0.000 1.053 31 I CB 0.630 38.703 38.000 0.122 0.000 1.302 31 I HN 0.027 nan 8.210 nan 0.000 0.518 32 D N 0.830 121.243 120.400 0.022 0.000 2.349 32 D HA 0.186 4.826 4.640 -0.001 0.000 0.214 32 D C 1.638 177.928 176.300 -0.017 0.000 1.063 32 D CA 0.619 54.620 54.000 0.002 0.000 0.847 32 D CB 0.387 41.200 40.800 0.022 0.000 0.933 32 D HN 0.484 nan 8.370 nan 0.000 0.513 33 G N 0.389 109.174 108.800 -0.024 0.000 2.179 33 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.260 33 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.260 33 G C 0.101 174.994 174.900 -0.010 0.000 0.977 33 G CA 0.111 45.192 45.100 -0.031 0.000 0.641 33 G HN 0.555 nan 8.290 nan 0.000 0.533 34 N N 0.703 119.407 118.700 0.007 0.000 2.426 34 N HA 0.327 5.066 4.740 -0.001 0.000 0.257 34 N C 1.349 176.881 175.510 0.038 0.000 1.002 34 N CA -0.219 52.842 53.050 0.018 0.000 0.942 34 N CB 0.713 39.211 38.487 0.018 0.000 1.112 34 N HN 0.386 nan 8.380 nan 0.000 0.499 35 K N 1.466 121.885 120.400 0.032 0.000 2.362 35 K HA -0.025 4.294 4.320 -0.001 0.000 0.200 35 K C 0.003 176.655 176.600 0.086 0.000 1.046 35 K CA 0.780 57.094 56.287 0.044 0.000 0.952 35 K CB 0.472 32.984 32.500 0.020 0.000 0.753 35 K HN 0.498 nan 8.250 nan 0.000 0.466 36 D N 0.866 121.317 120.400 0.084 0.000 2.339 36 D HA -0.028 4.611 4.640 -0.001 0.000 0.217 36 D C 0.348 176.730 176.300 0.136 0.000 1.050 36 D CA 0.568 54.638 54.000 0.116 0.000 0.856 36 D CB 0.516 41.358 40.800 0.069 0.000 0.922 36 D HN 0.233 nan 8.370 nan 0.000 0.518 37 T N -0.849 113.771 114.554 0.110 0.000 2.856 37 T HA 0.638 4.987 4.350 -0.001 0.000 0.283 37 T C -0.345 174.441 174.700 0.144 0.000 1.008 37 T CA -0.928 61.178 62.100 0.010 0.000 0.997 37 T CB 1.503 70.363 68.868 -0.013 0.000 0.992 37 T HN 0.005 nan 8.240 nan 0.000 0.454 38 F N -0.683 119.336 119.950 0.114 0.000 2.631 38 F HA 0.771 5.298 4.527 -0.001 0.000 0.308 38 F C -1.103 174.847 175.800 0.251 0.000 1.097 38 F CA -2.080 56.016 58.000 0.160 0.000 0.952 38 F CB 0.852 39.922 39.000 0.117 0.000 1.307 38 F HN 0.834 nan 8.300 nan 0.000 0.450 39 W N 3.883 125.394 121.300 0.351 0.000 2.261 39 W HA 0.569 5.228 4.660 -0.001 0.000 0.323 39 W C -1.424 175.363 176.519 0.447 0.000 1.243 39 W CA -0.247 57.287 57.345 0.315 0.000 1.210 39 W CB 0.475 30.127 29.460 0.320 0.000 1.149 39 W HN 0.792 nan 8.180 nan 0.000 0.562 40 H N 3.613 122.501 119.070 -0.303 0.000 2.947 40 H HA 0.231 4.786 4.556 -0.001 0.000 0.354 40 H C -0.266 174.827 175.328 -0.392 0.000 1.085 40 H CA -0.069 55.756 56.048 -0.371 0.000 1.253 40 H CB 1.671 31.513 29.762 0.132 0.000 1.757 40 H HN 0.546 nan 8.280 nan 0.000 0.523 41 T N 1.339 115.677 114.554 -0.360 0.000 2.766 41 T HA 0.261 4.610 4.350 -0.001 0.000 0.295 41 T C 1.030 175.990 174.700 0.434 0.000 1.024 41 T CA -0.610 61.447 62.100 -0.071 0.000 1.018 41 T CB 0.413 69.004 68.868 -0.462 0.000 1.002 41 T HN 0.361 nan 8.240 nan 0.000 0.532 42 F N 2.498 122.587 119.950 0.231 0.000 2.635 42 F HA 0.278 4.804 4.527 -0.002 0.000 0.379 42 F C 0.399 176.438 175.800 0.398 0.000 1.094 42 F CA -0.268 57.862 58.000 0.218 0.000 1.300 42 F CB 0.129 39.230 39.000 0.169 0.000 1.035 42 F HN 0.766 nan 8.300 nan 0.000 0.581 43 Y N 0.495 120.978 120.300 0.306 0.000 2.713 43 Y HA 0.614 5.164 4.550 -0.001 0.000 0.335 43 Y C 0.071 176.003 175.900 0.054 0.000 1.222 43 Y CA -0.826 57.407 58.100 0.221 0.000 1.061 43 Y CB 0.500 38.906 38.460 -0.090 0.000 1.314 43 Y HN 0.860 nan 8.280 nan 0.000 0.453 44 G N 1.176 110.145 108.800 0.282 0.000 2.596 44 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.304 44 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.304 44 G C 1.203 176.089 174.900 -0.023 0.000 1.189 44 G CA 1.633 46.788 45.100 0.092 0.000 0.986 44 G HN 1.963 nan 8.290 nan 0.000 0.548 45 A N -0.203 122.544 122.820 -0.121 0.000 2.076 45 A HA -0.015 4.305 4.320 -0.001 0.000 0.220 45 A C 1.946 179.427 177.584 -0.172 0.000 1.160 45 A CA 2.275 54.237 52.037 -0.126 0.000 0.653 45 A CB -0.392 18.521 19.000 -0.144 0.000 0.801 45 A HN 0.632 nan 8.150 nan 0.000 0.455 46 N N -0.209 118.330 118.700 -0.269 0.000 2.398 46 N HA 0.250 4.989 4.740 -0.001 0.000 0.188 46 N C 0.867 176.273 175.510 -0.173 0.000 1.122 46 N CA 0.998 53.799 53.050 -0.414 0.000 0.866 46 N CB 0.231 38.132 38.487 -0.977 0.000 0.970 46 N HN 0.649 nan 8.380 nan 0.000 0.462 47 G N 0.936 109.728 108.800 -0.014 0.000 2.756 47 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.678 47 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.678 47 G C -1.348 173.700 174.900 0.247 0.000 1.349 47 G CA -0.725 44.439 45.100 0.107 0.000 0.847 47 G HN 0.208 nan 8.290 nan 0.000 0.548 48 D N 1.837 122.396 120.400 0.265 0.000 2.517 48 D HA 0.311 4.951 4.640 -0.001 0.000 0.301 48 D C -2.125 174.302 176.300 0.212 0.000 1.202 48 D CA -0.718 53.489 54.000 0.346 0.000 0.910 48 D CB 1.301 42.296 40.800 0.326 0.000 1.021 48 D HN 0.393 nan 8.370 nan 0.000 0.499 49 P HA 0.015 nan 4.420 nan 0.000 0.264 49 P C 0.147 177.586 177.300 0.231 0.000 1.193 49 P CA 0.045 63.292 63.100 0.245 0.000 0.763 49 P CB 1.567 33.464 31.700 0.328 0.000 0.810 50 K N 4.115 124.554 120.400 0.065 0.000 2.102 50 K HA 0.345 4.664 4.320 -0.001 0.000 0.244 50 K C -2.094 174.336 176.600 -0.282 0.000 1.021 50 K CA -1.658 54.602 56.287 -0.044 0.000 0.913 50 K CB -0.424 32.028 32.500 -0.081 0.000 1.062 50 K HN 0.336 nan 8.250 nan 0.000 0.485 51 P HA 0.097 nan 4.420 nan 0.000 0.271 51 P C -2.452 174.665 177.300 -0.306 0.000 1.244 51 P CA -0.900 61.873 63.100 -0.545 0.000 0.793 51 P CB -0.221 31.367 31.700 -0.186 0.000 0.984 52 P HA 0.169 nan 4.420 nan 0.000 0.271 52 P C -0.767 176.357 177.300 -0.293 0.000 1.218 52 P CA 0.533 63.518 63.100 -0.192 0.000 0.780 52 P CB 0.353 32.011 31.700 -0.071 0.000 0.901 53 H N 0.143 119.281 119.070 0.114 0.000 2.572 53 H HA 0.499 5.054 4.556 -0.001 0.000 0.359 53 H C -0.358 175.105 175.328 0.226 0.000 1.134 53 H CA -0.214 55.946 56.048 0.187 0.000 1.187 53 H CB 1.834 31.734 29.762 0.230 0.000 1.597 53 H HN 0.254 nan 8.280 nan 0.000 0.524 54 T N 2.164 116.919 114.554 0.334 0.000 2.876 54 T HA 0.274 4.623 4.350 -0.001 0.000 0.289 54 T C -1.129 173.614 174.700 0.072 0.000 1.014 54 T CA -0.627 61.571 62.100 0.164 0.000 0.986 54 T CB 1.537 70.387 68.868 -0.031 0.000 1.021 54 T HN 0.429 nan 8.240 nan 0.000 0.458 55 Y N 1.735 121.977 120.300 -0.097 0.000 2.326 55 Y HA 0.490 5.039 4.550 -0.001 0.000 0.331 55 Y C -0.380 175.413 175.900 -0.178 0.000 0.962 55 Y CA -0.420 57.514 58.100 -0.277 0.000 1.167 55 Y CB 1.286 39.586 38.460 -0.268 0.000 1.148 55 Y HN 0.598 nan 8.280 nan 0.000 0.463 56 T N 7.314 121.668 114.554 -0.334 0.000 2.807 56 T HA 0.577 4.926 4.350 -0.001 0.000 0.279 56 T C -0.606 174.026 174.700 -0.113 0.000 0.993 56 T CA -0.481 61.529 62.100 -0.149 0.000 0.970 56 T CB 0.838 69.624 68.868 -0.137 0.000 0.950 56 T HN 0.454 nan 8.240 nan 0.000 0.441 57 I N 2.697 123.272 120.570 0.009 0.000 2.406 57 I HA 0.339 4.508 4.170 -0.001 0.000 0.290 57 I C -0.544 175.471 176.117 -0.170 0.000 0.999 57 I CA -0.802 60.415 61.300 -0.138 0.000 1.124 57 I CB 1.729 39.511 38.000 -0.364 0.000 1.289 57 I HN 0.484 nan 8.210 nan 0.000 0.441 58 D N 7.058 127.319 120.400 -0.232 0.000 2.427 58 D HA 0.324 4.963 4.640 -0.001 0.000 0.226 58 D C 0.427 176.430 176.300 -0.495 0.000 1.076 58 D CA -0.374 53.396 54.000 -0.384 0.000 0.849 58 D CB 1.243 41.940 40.800 -0.172 0.000 1.052 58 D HN 0.456 nan 8.370 nan 0.000 0.515 59 M N 2.615 121.839 119.600 -0.627 0.000 2.618 59 M HA -0.010 4.469 4.480 -0.001 0.000 0.240 59 M C 0.837 177.037 176.300 -0.167 0.000 1.123 59 M CA 0.023 55.031 55.300 -0.487 0.000 1.060 59 M CB 0.065 32.426 32.600 -0.399 0.000 1.535 59 M HN 0.277 nan 8.290 nan 0.000 0.507 60 K N -1.313 118.932 120.400 -0.258 0.000 3.495 60 K HA -0.174 4.146 4.320 -0.001 0.000 0.288 60 K C 0.558 177.085 176.600 -0.123 0.000 0.908 60 K CA 1.932 58.128 56.287 -0.151 0.000 1.231 60 K CB -1.734 30.749 32.500 -0.029 0.000 1.399 60 K HN 0.489 nan 8.250 nan 0.000 0.465 61 T N 0.122 114.612 114.554 -0.107 0.000 2.896 61 T HA 0.450 4.799 4.350 -0.001 0.000 0.297 61 T C -0.893 173.761 174.700 -0.076 0.000 1.108 61 T CA -0.076 61.984 62.100 -0.067 0.000 1.004 61 T CB 1.815 70.673 68.868 -0.017 0.000 1.159 61 T HN 0.068 nan 8.240 nan 0.000 0.499 62 T N 4.365 118.888 114.554 -0.052 0.000 2.901 62 T HA 0.432 4.781 4.350 -0.001 0.000 0.301 62 T C -0.459 174.229 174.700 -0.020 0.000 1.012 62 T CA -0.445 61.628 62.100 -0.045 0.000 1.135 62 T CB 0.565 69.412 68.868 -0.035 0.000 0.936 62 T HN 0.452 nan 8.240 nan 0.000 0.539 63 Q N 1.975 121.765 119.800 -0.016 0.000 2.421 63 Q HA 0.332 4.671 4.340 -0.001 0.000 0.280 63 Q C -0.806 175.198 176.000 0.007 0.000 1.085 63 Q CA -0.934 54.878 55.803 0.015 0.000 0.807 63 Q CB 1.682 30.447 28.738 0.045 0.000 1.405 63 Q HN 0.479 nan 8.270 nan 0.000 0.419 64 N N 1.185 119.900 118.700 0.025 0.000 2.663 64 N HA 0.152 4.892 4.740 -0.001 0.000 0.250 64 N C -0.555 174.997 175.510 0.070 0.000 1.129 64 N CA 0.019 53.080 53.050 0.018 0.000 0.995 64 N CB 0.568 39.093 38.487 0.064 0.000 1.324 64 N HN 0.219 nan 8.380 nan 0.000 0.512 65 V N 2.816 122.788 119.914 0.097 0.000 2.508 65 V HA 0.077 4.196 4.120 -0.001 0.000 0.281 65 V C 1.181 177.399 176.094 0.208 0.000 1.041 65 V CA -0.304 62.106 62.300 0.184 0.000 1.016 65 V CB 0.723 32.706 31.823 0.267 0.000 0.984 65 V HN 0.636 nan 8.190 nan 0.000 0.478 66 N N 2.771 121.492 118.700 0.035 0.000 2.184 66 N HA 0.364 5.103 4.740 -0.001 0.000 0.234 66 N C -0.084 174.934 175.510 -0.821 0.000 1.282 66 N CA 0.455 53.351 53.050 -0.255 0.000 0.877 66 N CB 1.550 39.965 38.487 -0.120 0.000 1.184 66 N HN 0.795 nan 8.380 nan 0.000 0.510 67 G N 0.125 108.492 108.800 -0.721 0.000 2.316 67 G HA2 0.473 4.432 3.960 -0.001 0.000 0.296 67 G HA3 0.473 4.432 3.960 -0.001 0.000 0.296 67 G C -2.389 172.624 174.900 0.189 0.000 1.399 67 G CA -0.539 44.202 45.100 -0.598 0.000 0.833 67 G HN 0.485 nan 8.290 nan 0.000 0.565 68 L N -1.565 119.862 121.223 0.340 0.000 2.518 68 L HA 0.988 5.327 4.340 -0.001 0.000 0.257 68 L C -0.192 176.916 176.870 0.397 0.000 0.980 68 L CA -0.838 54.301 54.840 0.498 0.000 0.837 68 L CB 1.750 44.078 42.059 0.448 0.000 1.410 68 L HN 1.377 nan 8.230 nan 0.000 0.410 69 S N 2.101 118.000 115.700 0.331 0.000 2.568 69 S HA 0.902 5.371 4.470 -0.001 0.000 0.293 69 S C -0.645 173.851 174.600 -0.174 0.000 1.089 69 S CA -0.651 57.499 58.200 -0.084 0.000 0.945 69 S CB 1.907 65.038 63.200 -0.116 0.000 1.077 69 S HN 1.051 nan 8.310 nan 0.000 0.485 70 M N 3.350 122.671 119.600 -0.464 0.000 2.106 70 M HA 0.467 4.947 4.480 -0.001 0.000 0.288 70 M C -2.284 173.716 176.300 -0.499 0.000 0.941 70 M CA -1.005 54.042 55.300 -0.421 0.000 0.934 70 M CB 1.304 33.590 32.600 -0.523 0.000 1.551 70 M HN 0.889 nan 8.290 nan 0.000 0.437 71 L N 9.684 130.717 121.223 -0.316 0.000 2.257 71 L HA 0.673 5.012 4.340 -0.001 0.000 0.290 71 L C -2.289 174.442 176.870 -0.231 0.000 1.044 71 L CA -1.096 53.571 54.840 -0.288 0.000 0.810 71 L CB 1.083 43.035 42.059 -0.178 0.000 1.193 71 L HN 0.443 nan 8.230 nan 0.000 0.425 72 P HA 0.158 nan 4.420 nan 0.000 0.274 72 P C -1.042 176.194 177.300 -0.107 0.000 1.256 72 P CA -0.657 62.294 63.100 -0.247 0.000 0.795 72 P CB 0.455 31.801 31.700 -0.590 0.000 1.038 73 R N 0.922 121.393 120.500 -0.048 0.000 2.640 73 R HA 0.026 4.365 4.340 -0.001 0.000 0.270 73 R C 0.360 176.668 176.300 0.013 0.000 1.024 73 R CA 0.075 56.087 56.100 -0.146 0.000 1.085 73 R CB -0.339 29.583 30.300 -0.629 0.000 0.963 73 R HN 0.385 nan 8.270 nan 0.000 0.426 74 Q N 1.763 121.576 119.800 0.022 0.000 2.188 74 Q HA -0.000 4.339 4.340 -0.001 0.000 0.212 74 Q C -0.270 175.753 176.000 0.038 0.000 0.846 74 Q CA 0.169 55.991 55.803 0.032 0.000 0.989 74 Q CB 0.811 29.562 28.738 0.022 0.000 1.114 74 Q HN 0.788 nan 8.270 nan 0.000 0.488 75 D N -1.094 119.323 120.400 0.028 0.000 2.328 75 D HA 0.109 4.748 4.640 -0.001 0.000 0.221 75 D C 1.257 177.552 176.300 -0.009 0.000 1.072 75 D CA 0.585 54.600 54.000 0.025 0.000 0.850 75 D CB 0.281 41.115 40.800 0.056 0.000 0.922 75 D HN 0.242 nan 8.370 nan 0.000 0.516 76 G N 0.327 109.121 108.800 -0.011 0.000 2.268 76 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.240 76 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.240 76 G C 0.217 175.039 174.900 -0.131 0.000 1.010 76 G CA 0.019 45.101 45.100 -0.029 0.000 0.618 76 G HN 0.572 nan 8.290 nan 0.000 0.516 77 N N 0.865 119.453 118.700 -0.187 0.000 2.514 77 N HA 0.324 5.063 4.740 -0.001 0.000 0.277 77 N C 1.083 176.239 175.510 -0.590 0.000 1.126 77 N CA 0.189 53.053 53.050 -0.310 0.000 0.978 77 N CB 0.773 39.107 38.487 -0.255 0.000 1.106 77 N HN 0.532 nan 8.380 nan 0.000 0.461 78 Q N 1.077 120.396 119.800 -0.802 0.000 2.282 78 Q HA 0.161 4.500 4.340 -0.001 0.000 0.206 78 Q C -0.565 174.916 176.000 -0.866 0.000 0.878 78 Q CA -0.250 54.658 55.803 -1.492 0.000 0.944 78 Q CB 0.276 28.166 28.738 -1.413 0.000 1.100 78 Q HN 0.492 nan 8.270 nan 0.000 0.509 79 N N 1.045 119.468 118.700 -0.462 0.000 2.434 79 N HA 0.054 4.793 4.740 -0.001 0.000 0.268 79 N C 0.836 176.249 175.510 -0.162 0.000 1.256 79 N CA 1.278 54.226 53.050 -0.169 0.000 0.914 79 N CB 0.878 39.215 38.487 -0.249 0.000 1.088 79 N HN 0.431 nan 8.380 nan 0.000 0.478 80 G N 1.184 109.986 108.800 0.003 0.000 2.213 80 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.226 80 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.226 80 G C -0.403 174.556 174.900 0.099 0.000 0.992 80 G CA -0.614 44.448 45.100 -0.063 0.000 0.632 80 G HN 0.455 nan 8.290 nan 0.000 0.511 81 W N 1.663 122.912 121.300 -0.084 0.000 2.385 81 W HA 0.475 5.134 4.660 -0.002 0.000 0.336 81 W C 1.079 177.617 176.519 0.030 0.000 1.351 81 W CA -0.675 56.633 57.345 -0.060 0.000 1.295 81 W CB -0.245 29.170 29.460 -0.076 0.000 1.239 81 W HN 0.178 nan 8.180 nan 0.000 0.565 82 I N 4.457 125.189 120.570 0.270 0.000 2.416 82 I HA 0.187 4.356 4.170 -0.001 0.000 0.288 82 I C 1.257 177.583 176.117 0.349 0.000 1.051 82 I CA 0.339 61.823 61.300 0.306 0.000 1.375 82 I CB 0.610 38.841 38.000 0.385 0.000 1.407 82 I HN 0.574 nan 8.210 nan 0.000 0.516 83 G N 6.355 115.325 108.800 0.284 0.000 2.606 83 G HA2 0.212 4.171 3.960 -0.001 0.000 0.213 83 G HA3 0.212 4.171 3.960 -0.001 0.000 0.213 83 G C 0.390 175.447 174.900 0.262 0.000 2.020 83 G CA -0.433 44.831 45.100 0.273 0.000 0.814 83 G HN 0.460 nan 8.290 nan 0.000 0.685 84 R N 1.450 122.044 120.500 0.158 0.000 2.543 84 R HA 0.374 4.713 4.340 -0.001 0.000 0.277 84 R C -0.192 176.137 176.300 0.048 0.000 1.074 84 R CA 0.145 56.274 56.100 0.049 0.000 1.076 84 R CB 0.406 30.722 30.300 0.027 0.000 0.993 84 R HN 0.777 nan 8.270 nan 0.000 0.459 85 H N -0.240 118.731 119.070 -0.165 0.000 2.981 85 H HA 0.450 5.005 4.556 -0.001 0.000 0.327 85 H C -1.274 173.951 175.328 -0.171 0.000 1.342 85 H CA -1.095 54.841 56.048 -0.186 0.000 1.123 85 H CB 1.613 31.133 29.762 -0.404 0.000 1.851 85 H HN 0.567 nan 8.280 nan 0.000 0.531 86 E N 0.655 120.835 120.200 -0.034 0.000 2.356 86 E HA 0.517 4.867 4.350 -0.001 0.000 0.275 86 E C -1.298 175.302 176.600 0.000 0.000 0.904 86 E CA -1.110 55.227 56.400 -0.104 0.000 0.757 86 E CB 3.612 33.269 29.700 -0.073 0.000 1.232 86 E HN 0.307 nan 8.360 nan 0.000 0.442 87 V N 2.413 122.241 119.914 -0.144 0.000 2.540 87 V HA 0.445 4.564 4.120 -0.001 0.000 0.302 87 V C -1.376 174.567 176.094 -0.252 0.000 1.035 87 V CA -0.756 61.516 62.300 -0.048 0.000 0.873 87 V CB 0.793 32.630 31.823 0.024 0.000 0.992 87 V HN 0.567 nan 8.190 nan 0.000 0.428 88 Y N 4.082 124.377 120.300 -0.008 0.000 2.524 88 Y HA 0.764 5.313 4.550 -0.001 0.000 0.344 88 Y C -0.141 175.891 175.900 0.221 0.000 1.012 88 Y CA -0.929 57.222 58.100 0.086 0.000 1.068 88 Y CB 1.918 40.479 38.460 0.168 0.000 1.249 88 Y HN 0.386 nan 8.280 nan 0.000 0.468 89 L N 1.646 123.081 121.223 0.353 0.000 2.354 89 L HA 0.789 5.129 4.340 -0.001 0.000 0.269 89 L C -0.462 176.502 176.870 0.157 0.000 1.005 89 L CA -0.765 54.227 54.840 0.255 0.000 0.819 89 L CB 2.277 44.383 42.059 0.078 0.000 1.311 89 L HN 0.630 nan 8.230 nan 0.000 0.423 90 S N -0.787 114.902 115.700 -0.019 0.000 2.541 90 S HA 0.372 4.841 4.470 -0.001 0.000 0.271 90 S C 0.306 174.827 174.600 -0.131 0.000 1.133 90 S CA -0.033 57.992 58.200 -0.292 0.000 0.876 90 S CB 1.907 64.483 63.200 -1.040 0.000 1.105 90 S HN 0.713 nan 8.310 nan 0.000 0.470 91 S N 1.555 117.169 115.700 -0.143 0.000 2.486 91 S HA 0.091 4.561 4.470 -0.001 0.000 0.220 91 S C 0.601 175.200 174.600 -0.001 0.000 1.011 91 S CA 0.917 59.096 58.200 -0.035 0.000 0.921 91 S CB -0.329 62.834 63.200 -0.060 0.000 0.785 91 S HN 0.799 nan 8.310 nan 0.000 0.517 92 D N -0.779 119.481 120.400 -0.234 0.000 2.498 92 D HA 0.342 4.981 4.640 -0.001 0.000 0.223 92 D C 1.396 177.148 176.300 -0.914 0.000 1.125 92 D CA 0.499 54.305 54.000 -0.324 0.000 0.835 92 D CB -0.396 40.250 40.800 -0.257 0.000 1.086 92 D HN 0.478 nan 8.370 nan 0.000 0.510 93 G N 0.090 108.028 108.800 -1.437 0.000 2.179 93 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.260 93 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.260 93 G C 1.125 175.429 174.900 -0.995 0.000 0.977 93 G CA 1.232 45.255 45.100 -1.796 0.000 0.641 93 G HN 0.693 nan 8.290 nan 0.000 0.533 94 T N -3.481 110.595 114.554 -0.797 0.000 2.989 94 T HA 0.301 4.650 4.350 -0.001 0.000 0.250 94 T C 0.563 175.026 174.700 -0.395 0.000 0.981 94 T CA 0.826 62.678 62.100 -0.415 0.000 0.980 94 T CB 0.360 69.080 68.868 -0.246 0.000 1.133 94 T HN 0.521 nan 8.240 nan 0.000 0.489 95 N N 0.188 118.585 118.700 -0.507 0.000 2.501 95 N HA 0.286 5.025 4.740 -0.001 0.000 0.245 95 N C -0.741 174.530 175.510 -0.398 0.000 0.974 95 N CA -1.036 51.833 53.050 -0.302 0.000 0.941 95 N CB 0.566 38.937 38.487 -0.194 0.000 1.122 95 N HN 0.402 nan 8.380 nan 0.000 0.507 96 W N 3.110 124.366 121.300 -0.073 0.000 3.114 96 W HA 0.356 5.015 4.660 -0.001 0.000 0.279 96 W C 1.653 178.241 176.519 0.114 0.000 1.277 96 W CA 0.434 57.765 57.345 -0.022 0.000 1.630 96 W CB -0.062 29.289 29.460 -0.182 0.000 1.087 96 W HN 0.761 nan 8.180 nan 0.000 0.637 97 G N 1.101 110.044 108.800 0.239 0.000 2.574 97 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.282 97 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.282 97 G C 0.233 175.322 174.900 0.314 0.000 1.257 97 G CA 0.345 45.568 45.100 0.206 0.000 0.956 97 G HN 0.415 nan 8.290 nan 0.000 0.560 98 S N 0.745 116.569 115.700 0.206 0.000 2.608 98 S HA 0.720 5.189 4.470 -0.001 0.000 0.291 98 S C -2.629 171.929 174.600 -0.070 0.000 1.146 98 S CA -0.919 57.365 58.200 0.141 0.000 1.043 98 S CB 2.054 65.294 63.200 0.066 0.000 1.037 98 S HN 0.676 nan 8.310 nan 0.000 0.520 99 P HA 0.070 nan 4.420 nan 0.000 0.265 99 P C 1.052 178.141 177.300 -0.353 0.000 1.193 99 P CA -0.432 62.244 63.100 -0.706 0.000 0.765 99 P CB 0.405 31.704 31.700 -0.667 0.000 0.823 100 V N 0.448 120.130 119.914 -0.388 0.000 3.129 100 V HA 0.420 4.539 4.120 -0.001 0.000 0.259 100 V C 0.624 176.565 176.094 -0.256 0.000 1.116 100 V CA 1.036 63.133 62.300 -0.338 0.000 1.127 100 V CB -1.026 30.418 31.823 -0.632 0.000 0.742 100 V HN 0.577 nan 8.190 nan 0.000 0.474 101 A N 0.095 122.762 122.820 -0.254 0.000 2.589 101 A HA 0.830 5.149 4.320 -0.001 0.000 0.296 101 A C -0.446 177.038 177.584 -0.168 0.000 1.062 101 A CA 0.226 52.204 52.037 -0.097 0.000 0.686 101 A CB 1.590 20.654 19.000 0.107 0.000 1.282 101 A HN 1.242 nan 8.150 nan 0.000 0.404 102 S N 0.147 115.742 115.700 -0.176 0.000 2.565 102 S HA 0.976 5.445 4.470 -0.001 0.000 0.269 102 S C -0.128 174.270 174.600 -0.336 0.000 1.153 102 S CA 0.247 58.266 58.200 -0.302 0.000 0.835 102 S CB 1.207 64.299 63.200 -0.178 0.000 1.122 102 S HN 2.800 nan 8.310 nan 0.000 0.462 103 G N 0.663 109.133 108.800 -0.550 0.000 2.398 103 G HA2 0.473 4.433 3.960 -0.001 0.000 0.251 103 G HA3 0.473 4.433 3.960 -0.001 0.000 0.251 103 G C -1.521 173.130 174.900 -0.415 0.000 1.277 103 G CA -0.230 44.673 45.100 -0.328 0.000 0.927 103 G HN 1.378 nan 8.290 nan 0.000 0.477 104 S N -0.320 115.335 115.700 -0.075 0.000 2.571 104 S HA 0.641 5.110 4.470 -0.001 0.000 0.284 104 S C -1.332 173.460 174.600 0.320 0.000 1.128 104 S CA -0.521 57.747 58.200 0.112 0.000 0.970 104 S CB 1.383 64.684 63.200 0.169 0.000 1.039 104 S HN 0.503 nan 8.310 nan 0.000 0.485 105 W N 2.571 124.077 121.300 0.344 0.000 2.376 105 W HA 0.455 5.114 4.660 -0.002 0.000 0.322 105 W C 0.063 176.701 176.519 0.199 0.000 1.160 105 W CA -1.756 55.712 57.345 0.205 0.000 1.218 105 W CB 0.436 29.904 29.460 0.012 0.000 1.205 105 W HN 0.612 nan 8.180 nan 0.000 0.559 106 F N 2.309 122.429 119.950 0.284 0.000 2.506 106 F HA 0.364 4.890 4.527 -0.002 0.000 0.351 106 F C 0.530 176.390 175.800 0.100 0.000 1.136 106 F CA -0.809 57.305 58.000 0.190 0.000 1.298 106 F CB 0.652 39.751 39.000 0.165 0.000 1.145 106 F HN 0.337 nan 8.300 nan 0.000 0.593 107 A N 5.253 127.575 122.820 -0.831 0.000 2.915 107 A HA 0.445 4.764 4.320 -0.001 0.000 0.292 107 A C -0.910 176.181 177.584 -0.822 0.000 1.632 107 A CA 0.048 51.758 52.037 -0.545 0.000 1.337 107 A CB -1.244 17.751 19.000 -0.009 0.000 1.111 107 A HN 0.753 nan 8.150 nan 0.000 0.569 108 D N -0.761 118.971 120.400 -1.114 0.000 2.692 108 D HA 0.172 4.811 4.640 -0.001 0.000 0.303 108 D C 0.460 175.902 176.300 -1.429 0.000 1.278 108 D CA 0.169 53.517 54.000 -1.087 0.000 0.852 108 D CB 0.121 40.645 40.800 -0.459 0.000 1.375 108 D HN 0.177 nan 8.370 nan 0.000 0.453 109 S N -1.424 113.703 115.700 -0.954 0.000 2.603 109 S HA 0.109 4.578 4.470 -0.001 0.000 0.220 109 S C 0.905 175.215 174.600 -0.482 0.000 0.967 109 S CA 0.433 58.229 58.200 -0.674 0.000 0.920 109 S CB -1.273 61.742 63.200 -0.308 0.000 0.773 109 S HN 0.793 nan 8.310 nan 0.000 0.529 110 T N 0.421 114.716 114.554 -0.433 0.000 2.860 110 T HA 0.284 4.634 4.350 -0.001 0.000 0.299 110 T C 0.146 174.595 174.700 -0.417 0.000 1.045 110 T CA -0.384 61.529 62.100 -0.312 0.000 1.071 110 T CB 0.380 69.126 68.868 -0.204 0.000 0.985 110 T HN 0.150 nan 8.240 nan 0.000 0.537 111 T N 3.988 118.329 114.554 -0.354 0.000 2.888 111 T HA 0.246 4.595 4.350 -0.001 0.000 0.301 111 T C 0.307 174.602 174.700 -0.675 0.000 1.001 111 T CA -0.417 61.385 62.100 -0.497 0.000 1.147 111 T CB 0.209 68.832 68.868 -0.408 0.000 0.931 111 T HN 0.459 nan 8.240 nan 0.000 0.541 112 K N 2.464 122.296 120.400 -0.947 0.000 2.156 112 K HA 0.537 4.856 4.320 -0.001 0.000 0.250 112 K C -1.001 174.968 176.600 -1.053 0.000 0.955 112 K CA -0.589 55.026 56.287 -1.121 0.000 0.855 112 K CB 1.515 32.815 32.500 -1.999 0.000 1.101 112 K HN 0.554 nan 8.250 nan 0.000 0.434 113 Y N -1.055 119.054 120.300 -0.319 0.000 2.576 113 Y HA 0.357 4.906 4.550 -0.001 0.000 0.346 113 Y C 0.118 176.236 175.900 0.362 0.000 1.018 113 Y CA -0.837 57.259 58.100 -0.007 0.000 1.050 113 Y CB 2.517 40.926 38.460 -0.085 0.000 1.280 113 Y HN 0.446 nan 8.280 nan 0.000 0.474 114 S N 2.557 118.573 115.700 0.527 0.000 2.745 114 S HA 0.463 4.932 4.470 -0.001 0.000 0.283 114 S C -1.623 173.158 174.600 0.303 0.000 1.170 114 S CA -0.738 57.783 58.200 0.535 0.000 1.119 114 S CB -0.292 63.288 63.200 0.634 0.000 1.035 114 S HN 0.620 nan 8.310 nan 0.000 0.483 115 N N 4.176 122.978 118.700 0.170 0.000 2.399 115 N HA 0.701 5.440 4.740 -0.001 0.000 0.295 115 N C -0.789 174.703 175.510 -0.030 0.000 1.048 115 N CA -0.227 52.741 53.050 -0.137 0.000 0.886 115 N CB 1.267 39.704 38.487 -0.084 0.000 1.185 115 N HN 0.601 nan 8.380 nan 0.000 0.487 116 F N -1.943 118.046 119.950 0.064 0.000 2.745 116 F HA 0.472 4.998 4.527 -0.002 0.000 0.316 116 F C -0.081 175.739 175.800 0.033 0.000 1.155 116 F CA -1.298 56.730 58.000 0.047 0.000 0.937 116 F CB 0.580 39.620 39.000 0.065 0.000 1.361 116 F HN -0.032 nan 8.300 nan 0.000 0.472 117 E N 1.442 121.833 120.200 0.319 0.000 2.465 117 E HA 0.102 4.451 4.350 -0.001 0.000 0.260 117 E C -0.249 176.526 176.600 0.290 0.000 0.980 117 E CA 0.233 56.762 56.400 0.215 0.000 0.927 117 E CB 0.481 30.310 29.700 0.216 0.000 0.934 117 E HN 0.637 nan 8.360 nan 0.000 0.459 118 T N 3.984 118.653 114.554 0.191 0.000 2.934 118 T HA 0.136 4.485 4.350 -0.001 0.000 0.306 118 T C 0.661 175.485 174.700 0.206 0.000 1.042 118 T CA 0.380 62.605 62.100 0.209 0.000 1.145 118 T CB 0.467 69.458 68.868 0.205 0.000 0.982 118 T HN 0.309 nan 8.240 nan 0.000 0.544 119 R N 3.147 123.683 120.500 0.059 0.000 2.535 119 R HA 0.342 4.681 4.340 -0.001 0.000 0.274 119 R C -3.161 172.995 176.300 -0.240 0.000 1.090 119 R CA -1.957 54.035 56.100 -0.180 0.000 0.930 119 R CB 1.672 31.959 30.300 -0.021 0.000 1.223 119 R HN 0.329 nan 8.270 nan 0.000 0.441 120 P HA 0.181 nan 4.420 nan 0.000 0.267 120 P C -1.512 175.712 177.300 -0.126 0.000 1.205 120 P CA 0.158 63.097 63.100 -0.268 0.000 0.765 120 P CB 1.257 32.768 31.700 -0.316 0.000 0.828 121 A N 3.069 125.853 122.820 -0.060 0.000 2.594 121 A HA 0.509 4.828 4.320 -0.001 0.000 0.296 121 A C 0.353 177.916 177.584 -0.036 0.000 1.061 121 A CA -0.595 51.429 52.037 -0.021 0.000 0.689 121 A CB 1.351 20.367 19.000 0.027 0.000 1.280 121 A HN 0.510 nan 8.150 nan 0.000 0.406 122 R N -0.319 120.155 120.500 -0.043 0.000 2.279 122 R HA 0.281 4.620 4.340 -0.001 0.000 0.195 122 R C -0.938 175.115 176.300 -0.410 0.000 0.905 122 R CA 0.627 56.590 56.100 -0.228 0.000 1.044 122 R CB 0.225 30.350 30.300 -0.292 0.000 1.056 122 R HN 0.678 nan 8.270 nan 0.000 0.535 123 Y N -0.295 119.939 120.300 -0.110 0.000 2.446 123 Y HA 0.530 5.079 4.550 -0.001 0.000 0.345 123 Y C -0.556 175.428 175.900 0.139 0.000 0.984 123 Y CA -1.040 57.038 58.100 -0.037 0.000 1.058 123 Y CB 2.359 40.745 38.460 -0.123 0.000 1.220 123 Y HN -0.341 nan 8.280 nan 0.000 0.455 124 V N 3.237 123.361 119.914 0.350 0.000 2.709 124 V HA 0.612 4.731 4.120 -0.001 0.000 0.308 124 V C -0.840 175.425 176.094 0.286 0.000 1.062 124 V CA -1.123 61.377 62.300 0.333 0.000 0.901 124 V CB 2.202 34.113 31.823 0.147 0.000 1.003 124 V HN 0.762 nan 8.190 nan 0.000 0.425 125 R N 3.455 124.078 120.500 0.205 0.000 2.575 125 R HA 0.735 5.074 4.340 -0.001 0.000 0.293 125 R C -2.119 174.242 176.300 0.102 0.000 0.983 125 R CA -0.710 55.361 56.100 -0.048 0.000 0.887 125 R CB 1.853 31.738 30.300 -0.691 0.000 1.184 125 R HN 0.601 nan 8.270 nan 0.000 0.445 126 L N 5.249 126.557 121.223 0.142 0.000 2.305 126 L HA 0.482 4.822 4.340 -0.001 0.000 0.284 126 L C -1.510 175.478 176.870 0.198 0.000 1.013 126 L CA -0.486 54.480 54.840 0.209 0.000 0.819 126 L CB 1.951 44.164 42.059 0.257 0.000 1.227 126 L HN 0.418 nan 8.230 nan 0.000 0.417 127 V N 5.103 125.136 119.914 0.198 0.000 2.384 127 V HA 0.710 4.829 4.120 -0.001 0.000 0.287 127 V C 0.362 176.575 176.094 0.198 0.000 1.020 127 V CA -0.544 61.861 62.300 0.176 0.000 0.850 127 V CB 1.284 33.197 31.823 0.150 0.000 0.987 127 V HN 0.940 nan 8.190 nan 0.000 0.436 128 A N 5.585 128.544 122.820 0.231 0.000 2.279 128 A HA 0.551 4.871 4.320 -0.001 0.000 0.306 128 A C 0.897 178.564 177.584 0.138 0.000 1.300 128 A CA -0.338 51.833 52.037 0.223 0.000 0.925 128 A CB 0.016 19.190 19.000 0.289 0.000 1.152 128 A HN 0.686 nan 8.150 nan 0.000 0.544 129 I N 1.679 122.309 120.570 0.101 0.000 2.480 129 I HA -0.004 4.165 4.170 -0.001 0.000 0.251 129 I C 1.421 177.561 176.117 0.039 0.000 1.124 129 I CA 1.883 63.211 61.300 0.047 0.000 1.444 129 I CB -1.137 36.879 38.000 0.027 0.000 1.098 129 I HN 0.724 nan 8.210 nan 0.000 0.428 130 T N -2.014 112.584 114.554 0.073 0.000 2.883 130 T HA 0.411 4.760 4.350 -0.001 0.000 0.301 130 T C -0.533 174.234 174.700 0.112 0.000 1.158 130 T CA -0.802 61.339 62.100 0.068 0.000 1.007 130 T CB 3.070 71.974 68.868 0.060 0.000 1.186 130 T HN 0.068 nan 8.240 nan 0.000 0.499 131 E N 0.280 120.536 120.200 0.093 0.000 2.242 131 E HA 0.521 4.871 4.350 -0.001 0.000 0.275 131 E C 1.395 178.075 176.600 0.133 0.000 1.002 131 E CA -0.344 56.130 56.400 0.123 0.000 0.841 131 E CB 1.732 31.480 29.700 0.080 0.000 1.109 131 E HN 0.846 nan 8.360 nan 0.000 0.394 132 A N 4.288 127.222 122.820 0.190 0.000 1.997 132 A HA -0.242 4.077 4.320 -0.001 0.000 0.221 132 A C 1.298 178.965 177.584 0.138 0.000 1.172 132 A CA 2.147 54.305 52.037 0.202 0.000 0.645 132 A CB -0.464 18.728 19.000 0.319 0.000 0.813 132 A HN 0.777 nan 8.150 nan 0.000 0.454 133 N N -2.044 116.711 118.700 0.093 0.000 2.204 133 N HA 0.370 5.109 4.740 -0.001 0.000 0.219 133 N C 0.756 176.280 175.510 0.023 0.000 1.151 133 N CA 0.359 53.440 53.050 0.052 0.000 0.867 133 N CB 0.641 39.143 38.487 0.025 0.000 1.043 133 N HN 0.567 nan 8.380 nan 0.000 0.516 134 G N 0.601 109.413 108.800 0.020 0.000 2.148 134 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.254 134 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.254 134 G C 0.123 174.972 174.900 -0.086 0.000 0.981 134 G CA 0.012 45.102 45.100 -0.017 0.000 0.670 134 G HN 0.209 nan 8.290 nan 0.000 0.528 135 Q N -0.465 119.264 119.800 -0.118 0.000 2.396 135 Q HA 0.301 4.640 4.340 -0.001 0.000 0.221 135 Q C -1.340 174.405 176.000 -0.424 0.000 1.025 135 Q CA -1.099 54.503 55.803 -0.334 0.000 0.946 135 Q CB 0.648 29.201 28.738 -0.308 0.000 1.224 135 Q HN 0.169 nan 8.270 nan 0.000 0.539 136 P HA -0.055 nan 4.420 nan 0.000 0.222 136 P C -0.242 176.881 177.300 -0.296 0.000 1.153 136 P CA 0.891 63.647 63.100 -0.573 0.000 0.798 136 P CB 0.208 31.498 31.700 -0.684 0.000 0.796 137 W N -0.301 121.046 121.300 0.078 0.000 2.253 137 W HA 0.446 5.105 4.660 -0.001 0.000 0.348 137 W C -0.041 176.364 176.519 -0.190 0.000 1.229 137 W CA 0.067 57.354 57.345 -0.096 0.000 1.335 137 W CB -0.396 28.962 29.460 -0.170 0.000 1.165 137 W HN -0.309 nan 8.180 nan 0.000 0.631 138 T N 1.350 115.757 114.554 -0.245 0.000 2.916 138 T HA 0.433 4.783 4.350 -0.001 0.000 0.298 138 T C -0.587 173.674 174.700 -0.731 0.000 1.031 138 T CA -0.553 61.361 62.100 -0.310 0.000 0.993 138 T CB 1.780 70.552 68.868 -0.160 0.000 1.045 138 T HN 0.400 nan 8.240 nan 0.000 0.454 139 S N 2.252 117.673 115.700 -0.466 0.000 2.564 139 S HA 0.884 5.354 4.470 -0.001 0.000 0.274 139 S C -1.333 173.237 174.600 -0.050 0.000 1.124 139 S CA -0.879 57.075 58.200 -0.409 0.000 0.869 139 S CB 1.323 64.286 63.200 -0.394 0.000 1.105 139 S HN 0.643 nan 8.310 nan 0.000 0.472 140 I N 1.179 121.852 120.570 0.173 0.000 2.610 140 I HA 0.483 4.652 4.170 -0.001 0.000 0.289 140 I C 0.710 176.980 176.117 0.256 0.000 1.163 140 I CA -1.029 60.391 61.300 0.200 0.000 1.044 140 I CB 2.109 40.260 38.000 0.252 0.000 1.251 140 I HN 0.876 nan 8.210 nan 0.000 0.424 141 A N 4.408 127.319 122.820 0.150 0.000 1.903 141 A HA 0.227 4.547 4.320 -0.001 0.000 0.213 141 A C 0.611 178.262 177.584 0.113 0.000 1.185 141 A CA 1.203 53.358 52.037 0.197 0.000 0.628 141 A CB 0.212 19.287 19.000 0.125 0.000 0.830 141 A HN 0.664 nan 8.150 nan 0.000 0.446 142 E N -1.149 119.066 120.200 0.025 0.000 2.321 142 E HA 0.473 4.822 4.350 -0.001 0.000 0.281 142 E C -1.806 174.760 176.600 -0.058 0.000 0.910 142 E CA -0.214 56.179 56.400 -0.011 0.000 0.770 142 E CB 1.789 31.473 29.700 -0.026 0.000 1.225 142 E HN 0.350 nan 8.360 nan 0.000 0.417 143 I N 2.547 123.085 120.570 -0.053 0.000 2.465 143 I HA 0.422 4.591 4.170 -0.001 0.000 0.291 143 I C -1.060 175.099 176.117 0.070 0.000 1.014 143 I CA -0.480 60.796 61.300 -0.039 0.000 1.093 143 I CB 0.973 38.869 38.000 -0.173 0.000 1.267 143 I HN 0.283 nan 8.210 nan 0.000 0.431 144 N N 5.511 124.272 118.700 0.102 0.000 2.321 144 N HA 0.577 5.316 4.740 -0.001 0.000 0.290 144 N C -1.586 174.036 175.510 0.186 0.000 1.212 144 N CA -0.436 52.665 53.050 0.085 0.000 0.767 144 N CB 2.841 41.255 38.487 -0.122 0.000 1.494 144 N HN 0.227 nan 8.380 nan 0.000 0.479 145 V N 1.778 121.789 119.914 0.162 0.000 2.656 145 V HA 0.561 4.680 4.120 -0.001 0.000 0.307 145 V C -0.995 175.062 176.094 -0.062 0.000 1.051 145 V CA -0.643 61.791 62.300 0.223 0.000 0.893 145 V CB 1.346 33.346 31.823 0.295 0.000 0.999 145 V HN 0.459 nan 8.190 nan 0.000 0.426 146 F N 2.496 122.532 119.950 0.144 0.000 2.492 146 F HA 0.653 5.179 4.527 -0.001 0.000 0.327 146 F C 0.333 176.167 175.800 0.058 0.000 1.079 146 F CA -0.637 57.413 58.000 0.083 0.000 0.967 146 F CB 1.814 40.834 39.000 0.034 0.000 1.169 146 F HN 0.544 nan 8.300 nan 0.000 0.472 147 Q N 1.837 121.758 119.800 0.201 0.000 2.342 147 Q HA 0.865 5.204 4.340 -0.001 0.000 0.267 147 Q C -1.135 174.928 176.000 0.105 0.000 1.038 147 Q CA -1.275 54.605 55.803 0.129 0.000 0.832 147 Q CB 2.241 31.036 28.738 0.094 0.000 1.323 147 Q HN 0.738 nan 8.270 nan 0.000 0.448 148 A N 1.651 124.515 122.820 0.072 0.000 2.296 148 A HA 0.307 4.626 4.320 -0.001 0.000 0.264 148 A C 1.003 178.612 177.584 0.041 0.000 1.097 148 A CA -0.031 52.029 52.037 0.039 0.000 0.811 148 A CB 0.458 19.472 19.000 0.023 0.000 1.072 148 A HN 1.006 nan 8.150 nan 0.000 0.495 149 S N -0.560 115.152 115.700 0.019 0.000 2.481 149 S HA 0.183 4.652 4.470 -0.001 0.000 0.231 149 S C 0.655 175.272 174.600 0.029 0.000 0.996 149 S CA 0.797 59.009 58.200 0.021 0.000 0.942 149 S CB -0.768 62.436 63.200 0.007 0.000 0.768 149 S HN 2.025 nan 8.310 nan 0.000 0.520 150 S N -1.002 114.720 115.700 0.037 0.000 2.656 150 S HA 0.589 5.059 4.470 -0.001 0.000 0.265 150 S C -1.717 172.956 174.600 0.121 0.000 1.132 150 S CA -1.015 57.223 58.200 0.062 0.000 0.819 150 S CB 0.829 64.043 63.200 0.022 0.000 1.119 150 S HN 0.501 nan 8.310 nan 0.000 0.476 151 Y N 0.363 120.658 120.300 -0.009 0.000 2.470 151 Y HA 0.693 5.242 4.550 -0.001 0.000 0.341 151 Y C -1.386 174.512 175.900 -0.003 0.000 1.021 151 Y CA -0.230 57.867 58.100 -0.004 0.000 1.025 151 Y CB 2.334 40.801 38.460 0.012 0.000 1.266 151 Y HN 0.931 nan 8.280 nan 0.000 0.448 152 T N 5.555 119.594 114.554 -0.859 0.000 2.949 152 T HA 0.700 5.049 4.350 -0.001 0.000 0.300 152 T C -0.528 173.641 174.700 -0.885 0.000 0.988 152 T CA -0.411 61.267 62.100 -0.703 0.000 0.993 152 T CB 1.006 69.692 68.868 -0.304 0.000 0.984 152 T HN 0.905 nan 8.240 nan 0.000 0.442 153 A N 4.793 127.158 122.820 -0.758 0.000 2.498 153 A HA 0.523 4.842 4.320 -0.001 0.000 0.239 153 A C -2.122 175.370 177.584 -0.153 0.000 1.068 153 A CA -0.806 51.029 52.037 -0.336 0.000 0.766 153 A CB -0.539 18.412 19.000 -0.082 0.000 1.003 153 A HN 0.531 nan 8.150 nan 0.000 0.497 154 P HA 0.194 nan 4.420 nan 0.000 0.271 154 P C -0.573 176.713 177.300 -0.023 0.000 1.218 154 P CA -0.023 63.073 63.100 -0.006 0.000 0.780 154 P CB 0.462 32.181 31.700 0.031 0.000 0.901 155 Q N 3.130 122.924 119.800 -0.010 0.000 2.261 155 Q HA 0.282 4.621 4.340 -0.001 0.000 0.252 155 Q C -2.125 173.855 176.000 -0.033 0.000 0.915 155 Q CA -1.779 54.014 55.803 -0.016 0.000 0.915 155 Q CB 0.071 28.810 28.738 0.001 0.000 1.204 155 Q HN 0.327 nan 8.270 nan 0.000 0.421 156 P HA 0.008 nan 4.420 nan 0.000 0.268 156 P C 0.439 177.709 177.300 -0.050 0.000 1.205 156 P CA 0.662 63.721 63.100 -0.068 0.000 0.771 156 P CB 0.617 32.284 31.700 -0.055 0.000 0.858 157 G N 1.952 110.712 108.800 -0.067 0.000 2.176 157 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.253 157 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.253 157 G C 0.337 175.222 174.900 -0.026 0.000 0.979 157 G CA -0.069 45.007 45.100 -0.040 0.000 0.641 157 G HN 0.501 nan 8.290 nan 0.000 0.530 158 L N 0.868 122.086 121.223 -0.008 0.000 3.062 158 L HA 0.523 4.862 4.340 -0.001 0.000 0.255 158 L C 1.445 178.375 176.870 0.100 0.000 1.274 158 L CA 0.055 54.929 54.840 0.057 0.000 1.047 158 L CB -0.196 41.914 42.059 0.086 0.000 1.402 158 L HN 1.004 nan 8.230 nan 0.000 0.550 159 G N 1.067 109.852 108.800 -0.024 0.000 2.782 159 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.228 159 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.228 159 G C -0.693 174.060 174.900 -0.245 0.000 1.372 159 G CA -0.815 44.151 45.100 -0.224 0.000 0.862 159 G HN 0.224 nan 8.290 nan 0.000 0.547 160 R N -1.508 118.691 120.500 -0.502 0.000 2.626 160 R HA 0.415 4.755 4.340 -0.001 0.000 0.274 160 R C -1.352 174.777 176.300 -0.285 0.000 1.031 160 R CA -0.700 55.262 56.100 -0.231 0.000 0.898 160 R CB 1.400 31.620 30.300 -0.133 0.000 1.222 160 R HN 0.563 nan 8.270 nan 0.000 0.455 161 W N 0.751 122.092 121.300 0.069 0.000 2.469 161 W HA 0.615 5.274 4.660 -0.002 0.000 0.320 161 W C 0.654 177.212 176.519 0.065 0.000 1.086 161 W CA 0.296 57.719 57.345 0.130 0.000 1.211 161 W CB 2.094 31.668 29.460 0.190 0.000 1.298 161 W HN 0.839 nan 8.180 nan 0.000 0.525 162 G N 3.515 112.506 108.800 0.317 0.000 2.465 162 G HA2 0.031 3.990 3.960 -0.001 0.000 0.681 162 G HA3 0.031 3.990 3.960 -0.001 0.000 0.681 162 G C -2.934 172.017 174.900 0.086 0.000 1.340 162 G CA -1.442 43.766 45.100 0.181 0.000 0.884 162 G HN 0.280 nan 8.290 nan 0.000 0.650 163 P HA 0.565 nan 4.420 nan 0.000 0.293 163 P C -0.096 177.216 177.300 0.019 0.000 1.304 163 P CA -0.109 63.010 63.100 0.031 0.000 0.767 163 P CB 0.956 32.645 31.700 -0.019 0.000 1.247 164 T N 0.775 115.347 114.554 0.030 0.000 2.882 164 T HA 0.395 4.744 4.350 -0.001 0.000 0.287 164 T C 0.118 174.776 174.700 -0.069 0.000 0.992 164 T CA -0.197 61.912 62.100 0.015 0.000 1.076 164 T CB 0.100 69.052 68.868 0.141 0.000 0.961 164 T HN 0.151 nan 8.240 nan 0.000 0.490 165 I N 3.648 124.123 120.570 -0.158 0.000 2.354 165 I HA 0.281 4.451 4.170 -0.001 0.000 0.286 165 I C -0.099 175.986 176.117 -0.053 0.000 1.007 165 I CA -0.910 60.265 61.300 -0.209 0.000 1.167 165 I CB 1.149 38.862 38.000 -0.478 0.000 1.320 165 I HN 0.519 nan 8.210 nan 0.000 0.458 166 D N 7.301 127.706 120.400 0.007 0.000 2.304 166 D HA 0.547 5.186 4.640 -0.001 0.000 0.250 166 D C 0.040 176.454 176.300 0.191 0.000 1.107 166 D CA 0.044 54.138 54.000 0.156 0.000 0.885 166 D CB 1.864 42.776 40.800 0.187 0.000 1.192 166 D HN 0.293 nan 8.370 nan 0.000 0.436 167 L N 2.882 124.299 121.223 0.323 0.000 2.309 167 L HA 0.421 4.761 4.340 -0.001 0.000 0.261 167 L C -1.802 175.376 176.870 0.513 0.000 1.021 167 L CA -1.738 53.313 54.840 0.353 0.000 0.823 167 L CB 2.728 44.958 42.059 0.285 0.000 1.366 167 L HN 0.183 nan 8.230 nan 0.000 0.423 168 P HA 0.160 nan 4.420 nan 0.000 0.262 168 P C -0.476 177.125 177.300 0.500 0.000 1.304 168 P CA 0.468 63.887 63.100 0.532 0.000 0.859 168 P CB 0.407 32.385 31.700 0.464 0.000 1.310 169 I N -5.249 115.548 120.570 0.378 0.000 3.195 169 I HA 0.499 4.668 4.170 -0.001 0.000 0.313 169 I C -1.223 174.678 176.117 -0.360 0.000 1.237 169 I CA -1.713 59.586 61.300 -0.001 0.000 0.963 169 I CB 2.348 40.351 38.000 0.005 0.000 1.278 169 I HN -0.493 nan 8.210 nan 0.000 0.460 170 V N 3.489 123.030 119.914 -0.621 0.000 2.385 170 V HA 0.332 4.451 4.120 -0.001 0.000 0.269 170 V C -1.978 173.939 176.094 -0.295 0.000 1.043 170 V CA -1.274 60.708 62.300 -0.530 0.000 0.906 170 V CB 1.008 32.501 31.823 -0.549 0.000 0.995 170 V HN 0.607 nan 8.190 nan 0.000 0.467 171 P HA 0.171 nan 4.420 nan 0.000 0.237 171 P C 0.570 177.708 177.300 -0.269 0.000 1.788 171 P CA -0.040 62.970 63.100 -0.151 0.000 1.061 171 P CB 0.795 32.501 31.700 0.009 0.000 1.967 172 A N 2.259 124.823 122.820 -0.427 0.000 2.066 172 A HA 0.298 4.617 4.320 -0.001 0.000 0.218 172 A C 1.176 178.461 177.584 -0.498 0.000 1.157 172 A CA 1.015 52.692 52.037 -0.601 0.000 0.670 172 A CB -0.124 18.235 19.000 -1.068 0.000 0.804 172 A HN 0.507 nan 8.150 nan 0.000 0.453 173 A N -1.691 120.731 122.820 -0.662 0.000 2.475 173 A HA 0.807 5.127 4.320 -0.001 0.000 0.301 173 A C -0.416 176.539 177.584 -1.047 0.000 1.059 173 A CA 0.088 51.569 52.037 -0.925 0.000 0.710 173 A CB 1.210 19.317 19.000 -1.488 0.000 1.288 173 A HN 1.637 nan 8.150 nan 0.000 0.408 174 A N -0.043 122.331 122.820 -0.742 0.000 2.599 174 A HA 1.054 5.373 4.320 -0.001 0.000 0.290 174 A C -0.623 176.946 177.584 -0.026 0.000 1.101 174 A CA -0.018 51.821 52.037 -0.330 0.000 0.674 174 A CB 0.986 19.926 19.000 -0.100 0.000 1.277 174 A HN 2.733 nan 8.150 nan 0.000 0.419 175 A N 0.101 123.010 122.820 0.149 0.000 2.608 175 A HA 0.647 4.966 4.320 -0.001 0.000 0.292 175 A C -1.625 176.023 177.584 0.106 0.000 1.066 175 A CA -0.454 51.687 52.037 0.173 0.000 0.676 175 A CB 0.798 19.966 19.000 0.281 0.000 1.277 175 A HN 0.900 nan 8.150 nan 0.000 0.413 176 I N 2.117 122.766 120.570 0.132 0.000 2.291 176 I HA 0.234 4.403 4.170 -0.001 0.000 0.290 176 I C 0.423 176.617 176.117 0.129 0.000 1.050 176 I CA -0.067 61.321 61.300 0.148 0.000 1.245 176 I CB 0.884 39.035 38.000 0.252 0.000 1.405 176 I HN 0.682 nan 8.210 nan 0.000 0.478 177 E N 9.912 130.112 120.200 0.001 0.000 2.220 177 E HA 0.110 4.459 4.350 -0.001 0.000 0.272 177 E C -1.535 174.934 176.600 -0.217 0.000 1.099 177 E CA -1.599 54.735 56.400 -0.110 0.000 0.907 177 E CB 1.376 31.003 29.700 -0.121 0.000 1.022 177 E HN 0.323 nan 8.360 nan 0.000 0.428 178 P HA -0.183 nan 4.420 nan 0.000 0.216 178 P C 1.188 178.096 177.300 -0.654 0.000 1.150 178 P CA 1.573 64.124 63.100 -0.915 0.000 0.837 178 P CB 0.013 30.803 31.700 -1.516 0.000 0.786 179 T N -2.644 111.585 114.554 -0.543 0.000 2.951 179 T HA -0.047 4.302 4.350 -0.001 0.000 0.268 179 T C 1.984 176.569 174.700 -0.192 0.000 1.073 179 T CA 1.534 63.428 62.100 -0.343 0.000 1.134 179 T CB -0.909 67.807 68.868 -0.254 0.000 0.884 179 T HN 0.276 nan 8.240 nan 0.000 0.479 180 S N -0.059 115.542 115.700 -0.164 0.000 2.514 180 S HA 0.480 4.949 4.470 -0.001 0.000 0.223 180 S C 1.998 176.544 174.600 -0.090 0.000 1.046 180 S CA 0.545 58.682 58.200 -0.105 0.000 0.914 180 S CB -0.328 62.823 63.200 -0.081 0.000 0.807 180 S HN 1.238 nan 8.310 nan 0.000 0.497 181 G N 1.644 110.395 108.800 -0.081 0.000 2.162 181 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.260 181 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.260 181 G C 0.092 174.964 174.900 -0.046 0.000 0.976 181 G CA 0.187 45.276 45.100 -0.019 0.000 0.655 181 G HN 0.628 nan 8.290 nan 0.000 0.533 182 R N -0.794 119.663 120.500 -0.071 0.000 2.596 182 R HA 0.593 4.933 4.340 -0.001 0.000 0.267 182 R C 0.078 176.342 176.300 -0.060 0.000 1.026 182 R CA -0.749 55.295 56.100 -0.094 0.000 1.087 182 R CB 1.549 31.796 30.300 -0.089 0.000 1.132 182 R HN 0.056 nan 8.270 nan 0.000 0.531 183 V N 3.353 123.228 119.914 -0.065 0.000 2.385 183 V HA 0.125 4.244 4.120 -0.001 0.000 0.269 183 V C -0.285 175.787 176.094 -0.037 0.000 1.043 183 V CA -0.455 61.779 62.300 -0.111 0.000 0.906 183 V CB 0.896 32.491 31.823 -0.379 0.000 0.995 183 V HN 0.410 nan 8.190 nan 0.000 0.467 184 L N 7.290 128.511 121.223 -0.003 0.000 2.292 184 L HA 0.670 5.009 4.340 -0.001 0.000 0.284 184 L C -0.244 176.758 176.870 0.220 0.000 1.065 184 L CA 0.386 55.255 54.840 0.049 0.000 0.806 184 L CB 1.138 43.128 42.059 -0.115 0.000 1.175 184 L HN 0.635 nan 8.230 nan 0.000 0.431 185 M N 5.139 124.905 119.600 0.277 0.000 2.457 185 M HA 0.570 5.049 4.480 -0.001 0.000 0.300 185 M C -1.618 174.942 176.300 0.435 0.000 1.141 185 M CA -0.320 55.128 55.300 0.247 0.000 0.901 185 M CB 2.089 34.772 32.600 0.137 0.000 1.687 185 M HN 0.737 nan 8.290 nan 0.000 0.449 186 W N 0.495 121.815 121.300 0.033 0.000 3.066 186 W HA 0.862 5.522 4.660 0.001 0.000 0.330 186 W C -1.564 174.891 176.519 -0.106 0.000 1.253 186 W CA -0.811 56.541 57.345 0.012 0.000 1.187 186 W CB 0.624 30.154 29.460 0.118 0.000 1.434 186 W HN 0.832 nan 8.180 nan 0.000 0.572 187 S N 0.495 116.209 115.700 0.024 0.000 2.615 187 S HA 0.724 5.193 4.470 -0.001 0.000 0.269 187 S C -1.233 173.256 174.600 -0.185 0.000 1.161 187 S CA -0.546 57.544 58.200 -0.184 0.000 0.817 187 S CB 1.435 64.495 63.200 -0.234 0.000 1.131 187 S HN 0.996 nan 8.310 nan 0.000 0.467 188 S N -0.455 115.001 115.700 -0.408 0.000 2.713 188 S HA 0.715 5.184 4.470 -0.001 0.000 0.277 188 S C -1.546 172.866 174.600 -0.314 0.000 1.168 188 S CA -0.459 57.368 58.200 -0.622 0.000 0.994 188 S CB 0.719 62.926 63.200 -1.655 0.000 1.054 188 S HN 0.815 nan 8.310 nan 0.000 0.555 189 Y N 1.086 121.233 120.300 -0.255 0.000 2.425 189 Y HA 0.694 5.244 4.550 -0.001 0.000 0.344 189 Y C -0.345 175.771 175.900 0.360 0.000 0.969 189 Y CA -0.718 57.426 58.100 0.073 0.000 1.052 189 Y CB 1.144 39.638 38.460 0.057 0.000 1.215 189 Y HN 0.758 nan 8.280 nan 0.000 0.451 190 R N 4.903 125.061 120.500 -0.569 0.000 2.579 190 R HA 0.364 4.703 4.340 -0.001 0.000 0.260 190 R C -2.440 173.514 176.300 -0.577 0.000 1.103 190 R CA -0.516 55.354 56.100 -0.384 0.000 0.942 190 R CB 1.344 31.605 30.300 -0.065 0.000 1.251 190 R HN 0.759 nan 8.270 nan 0.000 0.450 191 N N 2.827 121.288 118.700 -0.399 0.000 2.875 191 N HA 0.073 4.813 4.740 -0.001 0.000 0.253 191 N C -0.954 174.420 175.510 -0.226 0.000 1.296 191 N CA -0.288 52.570 53.050 -0.320 0.000 0.816 191 N CB 1.339 39.653 38.487 -0.289 0.000 1.504 191 N HN 0.659 nan 8.380 nan 0.000 0.582 192 D N 1.553 121.823 120.400 -0.216 0.000 2.378 192 D HA -0.022 4.618 4.640 -0.001 0.000 0.222 192 D C 1.410 177.613 176.300 -0.163 0.000 0.980 192 D CA 0.416 54.328 54.000 -0.148 0.000 0.907 192 D CB 0.416 41.133 40.800 -0.138 0.000 0.899 192 D HN 0.616 nan 8.370 nan 0.000 0.527 193 A N -0.450 122.176 122.820 -0.325 0.000 2.119 193 A HA -0.009 4.310 4.320 -0.001 0.000 0.217 193 A C 1.639 179.090 177.584 -0.221 0.000 1.153 193 A CA 0.538 52.360 52.037 -0.360 0.000 0.692 193 A CB -0.385 18.267 19.000 -0.579 0.000 0.799 193 A HN 0.209 nan 8.150 nan 0.000 0.458 194 F N -1.119 118.857 119.950 0.043 0.000 2.637 194 F HA 0.393 4.920 4.527 -0.001 0.000 0.284 194 F C 1.604 177.436 175.800 0.055 0.000 1.105 194 F CA 0.195 58.235 58.000 0.067 0.000 1.356 194 F CB 0.052 39.123 39.000 0.118 0.000 1.096 194 F HN 0.391 nan 8.300 nan 0.000 0.616 195 G N 0.551 109.462 108.800 0.186 0.000 2.888 195 G HA2 0.110 4.070 3.960 -0.001 0.000 0.441 195 G HA3 0.110 4.070 3.960 -0.001 0.000 0.441 195 G C 0.373 175.359 174.900 0.143 0.000 1.461 195 G CA -0.406 44.763 45.100 0.115 0.000 0.897 195 G HN 1.228 nan 8.290 nan 0.000 0.547 196 G N -1.448 107.410 108.800 0.097 0.000 2.387 196 G HA2 0.180 4.139 3.960 -0.001 0.000 0.270 196 G HA3 0.180 4.139 3.960 -0.001 0.000 0.270 196 G C 0.544 175.519 174.900 0.125 0.000 0.957 196 G CA 1.322 46.481 45.100 0.098 0.000 1.352 196 G HN 2.328 nan 8.290 nan 0.000 0.457 197 S N 1.543 117.309 115.700 0.111 0.000 2.544 197 S HA 0.367 4.837 4.470 -0.001 0.000 0.290 197 S C 0.685 175.375 174.600 0.150 0.000 1.276 197 S CA -0.123 58.162 58.200 0.142 0.000 1.075 197 S CB 0.637 63.903 63.200 0.109 0.000 0.849 197 S HN 0.411 nan 8.310 nan 0.000 0.494 198 P HA 0.164 nan 4.420 nan 0.000 0.213 198 P C 0.557 177.932 177.300 0.124 0.000 1.170 198 P CA 1.298 64.490 63.100 0.153 0.000 0.898 198 P CB -0.444 31.365 31.700 0.181 0.000 0.787 199 G N -2.369 106.520 108.800 0.148 0.000 3.225 199 G HA2 0.338 4.297 3.960 -0.001 0.000 0.686 199 G HA3 0.338 4.297 3.960 -0.001 0.000 0.686 199 G C 0.331 175.290 174.900 0.099 0.000 1.105 199 G CA -0.272 44.900 45.100 0.120 0.000 0.831 199 G HN 0.629 nan 8.290 nan 0.000 0.578 200 G N 0.273 109.133 108.800 0.099 0.000 2.366 200 G HA2 0.014 3.973 3.960 -0.001 0.000 0.299 200 G HA3 0.014 3.973 3.960 -0.001 0.000 0.299 200 G C 0.285 175.207 174.900 0.037 0.000 1.020 200 G CA 0.741 45.882 45.100 0.068 0.000 1.026 200 G HN 1.537 nan 8.290 nan 0.000 0.512 201 I N 0.262 120.852 120.570 0.032 0.000 2.441 201 I HA 0.490 4.659 4.170 -0.001 0.000 0.295 201 I C 0.416 176.495 176.117 -0.063 0.000 0.994 201 I CA -0.398 60.906 61.300 0.007 0.000 1.144 201 I CB 1.783 39.814 38.000 0.051 0.000 1.314 201 I HN 0.024 nan 8.210 nan 0.000 0.445 202 T N 6.938 121.439 114.554 -0.088 0.000 2.812 202 T HA 0.616 4.965 4.350 -0.001 0.000 0.282 202 T C -0.090 174.601 174.700 -0.014 0.000 0.990 202 T CA -0.479 61.534 62.100 -0.145 0.000 0.960 202 T CB 1.488 70.124 68.868 -0.387 0.000 0.948 202 T HN 0.243 nan 8.240 nan 0.000 0.438 203 L N 3.309 124.547 121.223 0.024 0.000 2.282 203 L HA 0.632 4.971 4.340 -0.001 0.000 0.288 203 L C 0.189 177.170 176.870 0.185 0.000 1.033 203 L CA -0.627 54.258 54.840 0.075 0.000 0.807 203 L CB 1.426 43.494 42.059 0.016 0.000 1.209 203 L HN 0.607 nan 8.230 nan 0.000 0.423 204 T N 0.960 115.653 114.554 0.232 0.000 2.900 204 T HA 0.601 4.950 4.350 -0.001 0.000 0.295 204 T C -0.631 174.208 174.700 0.233 0.000 1.044 204 T CA -0.591 61.697 62.100 0.313 0.000 0.995 204 T CB 2.307 71.430 68.868 0.425 0.000 1.072 204 T HN 0.575 nan 8.240 nan 0.000 0.473 205 S N 0.744 116.580 115.700 0.228 0.000 2.688 205 S HA 0.901 5.370 4.470 -0.001 0.000 0.275 205 S C -1.595 173.112 174.600 0.178 0.000 1.175 205 S CA -0.424 57.895 58.200 0.198 0.000 0.818 205 S CB 1.406 64.732 63.200 0.209 0.000 1.157 205 S HN 1.192 nan 8.310 nan 0.000 0.482 206 S N 0.246 116.052 115.700 0.176 0.000 2.565 206 S HA 0.699 5.168 4.470 -0.001 0.000 0.269 206 S C -2.155 172.584 174.600 0.232 0.000 1.153 206 S CA -0.746 57.545 58.200 0.153 0.000 0.835 206 S CB 1.158 64.404 63.200 0.077 0.000 1.122 206 S HN 0.937 nan 8.310 nan 0.000 0.462 207 W N 2.305 123.603 121.300 -0.004 0.000 2.781 207 W HA 0.589 5.249 4.660 -0.001 0.000 0.333 207 W C -1.704 174.802 176.519 -0.022 0.000 1.047 207 W CA -0.434 56.921 57.345 0.015 0.000 1.236 207 W CB 1.644 31.143 29.460 0.064 0.000 1.394 207 W HN 0.790 nan 8.180 nan 0.000 0.466 208 D N 7.504 127.541 120.400 -0.606 0.000 2.373 208 D HA 0.275 4.914 4.640 -0.001 0.000 0.227 208 D C -1.675 173.960 176.300 -1.108 0.000 1.091 208 D CA -2.174 51.448 54.000 -0.630 0.000 0.840 208 D CB 2.394 42.994 40.800 -0.332 0.000 1.060 208 D HN 0.114 nan 8.370 nan 0.000 0.502 209 P HA -0.140 nan 4.420 nan 0.000 0.218 209 P C 1.341 178.357 177.300 -0.473 0.000 1.148 209 P CA 1.049 63.527 63.100 -1.037 0.000 0.822 209 P CB 0.253 31.641 31.700 -0.520 0.000 0.784 210 S N -1.800 113.699 115.700 -0.335 0.000 2.428 210 S HA -0.084 4.385 4.470 -0.001 0.000 0.230 210 S C 1.765 176.272 174.600 -0.155 0.000 1.014 210 S CA 1.677 59.767 58.200 -0.184 0.000 0.957 210 S CB -1.605 61.514 63.200 -0.135 0.000 0.784 210 S HN 0.279 nan 8.310 nan 0.000 0.499 211 T N -4.047 110.385 114.554 -0.204 0.000 2.971 211 T HA 0.525 4.875 4.350 -0.001 0.000 0.252 211 T C 1.627 176.263 174.700 -0.107 0.000 1.022 211 T CA 0.703 62.727 62.100 -0.128 0.000 0.980 211 T CB -0.042 68.762 68.868 -0.107 0.000 1.044 211 T HN 1.183 nan 8.240 nan 0.000 0.501 212 G N 1.835 110.510 108.800 -0.210 0.000 2.162 212 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.260 212 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.260 212 G C 0.027 174.984 174.900 0.095 0.000 0.976 212 G CA 0.217 45.317 45.100 0.001 0.000 0.655 212 G HN 0.687 nan 8.290 nan 0.000 0.533 213 I N 0.875 121.419 120.570 -0.043 0.000 2.441 213 I HA 0.371 4.540 4.170 -0.001 0.000 0.287 213 I C 0.536 176.735 176.117 0.136 0.000 1.049 213 I CA -0.719 60.609 61.300 0.047 0.000 1.381 213 I CB 1.571 39.572 38.000 0.001 0.000 1.409 213 I HN -0.133 nan 8.210 nan 0.000 0.523 214 V N 5.955 125.997 119.914 0.213 0.000 2.350 214 V HA 0.172 4.291 4.120 -0.001 0.000 0.276 214 V C 0.410 176.611 176.094 0.179 0.000 1.028 214 V CA -0.539 61.917 62.300 0.260 0.000 0.860 214 V CB 1.414 33.395 31.823 0.263 0.000 0.990 214 V HN 0.914 nan 8.190 nan 0.000 0.453 215 S N 3.056 118.854 115.700 0.163 0.000 2.585 215 S HA 0.270 4.739 4.470 -0.001 0.000 0.273 215 S C -0.222 174.483 174.600 0.175 0.000 1.339 215 S CA -0.837 57.447 58.200 0.140 0.000 1.028 215 S CB 0.691 63.960 63.200 0.114 0.000 0.906 215 S HN 0.667 nan 8.310 nan 0.000 0.528 216 D N 1.238 121.740 120.400 0.170 0.000 2.423 216 D HA 0.104 4.743 4.640 -0.001 0.000 0.238 216 D C 0.555 176.986 176.300 0.220 0.000 1.142 216 D CA 0.200 54.327 54.000 0.211 0.000 0.884 216 D CB 0.320 41.234 40.800 0.190 0.000 1.199 216 D HN 0.526 nan 8.370 nan 0.000 0.438 217 R N 0.914 121.578 120.500 0.273 0.000 2.570 217 R HA 0.134 4.473 4.340 -0.001 0.000 0.277 217 R C -0.311 176.107 176.300 0.197 0.000 1.039 217 R CA 0.101 56.336 56.100 0.226 0.000 1.065 217 R CB 0.136 30.556 30.300 0.201 0.000 0.964 217 R HN 0.564 nan 8.270 nan 0.000 0.428 218 T N 0.096 114.750 114.554 0.166 0.000 2.888 218 T HA 0.469 4.818 4.350 -0.001 0.000 0.284 218 T C -0.421 174.355 174.700 0.127 0.000 1.017 218 T CA -0.918 61.271 62.100 0.148 0.000 1.022 218 T CB 1.928 70.887 68.868 0.153 0.000 1.013 218 T HN 0.233 nan 8.240 nan 0.000 0.465 219 V N 3.073 123.047 119.914 0.100 0.000 2.357 219 V HA 0.513 4.633 4.120 -0.001 0.000 0.284 219 V C 0.042 176.181 176.094 0.075 0.000 1.018 219 V CA -0.586 61.753 62.300 0.065 0.000 0.841 219 V CB 1.330 33.171 31.823 0.030 0.000 0.991 219 V HN 1.151 nan 8.190 nan 0.000 0.437 220 T N 4.078 118.682 114.554 0.083 0.000 2.807 220 T HA 0.382 4.731 4.350 -0.001 0.000 0.279 220 T C -0.055 174.673 174.700 0.047 0.000 0.993 220 T CA -0.417 61.737 62.100 0.091 0.000 0.970 220 T CB 1.762 70.738 68.868 0.180 0.000 0.950 220 T HN 0.279 nan 8.240 nan 0.000 0.441 221 V N 4.608 124.549 119.914 0.046 0.000 2.287 221 V HA 0.113 4.232 4.120 -0.001 0.000 0.246 221 V C 1.775 177.892 176.094 0.038 0.000 1.165 221 V CA 0.036 62.357 62.300 0.035 0.000 1.088 221 V CB -0.674 31.170 31.823 0.034 0.000 1.242 221 V HN 1.168 nan 8.190 nan 0.000 0.497 222 T N -0.353 114.214 114.554 0.021 0.000 3.081 222 T HA 0.037 4.386 4.350 -0.001 0.000 0.255 222 T C 1.056 175.788 174.700 0.053 0.000 1.113 222 T CA -0.059 62.058 62.100 0.029 0.000 1.082 222 T CB -0.256 68.581 68.868 -0.053 0.000 0.939 222 T HN 0.606 nan 8.240 nan 0.000 0.506 223 K N 0.392 120.820 120.400 0.047 0.000 3.160 223 K HA -0.242 4.077 4.320 -0.001 0.000 0.280 223 K C -0.200 176.450 176.600 0.084 0.000 1.154 223 K CA 0.998 57.316 56.287 0.051 0.000 0.822 223 K CB -2.250 30.270 32.500 0.032 0.000 1.239 223 K HN 0.846 nan 8.250 nan 0.000 0.489 224 H N 0.496 119.534 119.070 -0.053 0.000 2.854 224 H HA 0.138 4.693 4.556 -0.002 0.000 0.275 224 H C -1.050 174.225 175.328 -0.088 0.000 1.198 224 H CA -0.856 55.146 56.048 -0.075 0.000 1.489 224 H CB 0.673 30.363 29.762 -0.120 0.000 1.519 224 H HN 0.036 nan 8.280 nan 0.000 0.503 225 D N 5.800 126.308 120.400 0.180 0.000 2.344 225 D HA 0.024 4.663 4.640 -0.001 0.000 0.253 225 D C 0.840 177.187 176.300 0.078 0.000 1.255 225 D CA 0.215 54.274 54.000 0.097 0.000 0.894 225 D CB 1.225 42.184 40.800 0.265 0.000 1.067 225 D HN 0.672 nan 8.370 nan 0.000 0.492 226 M N 1.923 121.382 119.600 -0.235 0.000 2.102 226 M HA 0.083 4.562 4.480 -0.001 0.000 0.240 226 M C 0.414 176.721 176.300 0.011 0.000 1.170 226 M CA 0.639 55.808 55.300 -0.219 0.000 1.121 226 M CB -0.041 32.339 32.600 -0.366 0.000 1.180 226 M HN 0.348 nan 8.290 nan 0.000 0.436 230 G N -0.313 108.495 108.800 0.012 0.000 2.412 230 G HA2 0.721 4.681 3.960 -0.001 0.000 0.318 230 G HA3 0.721 4.681 3.960 -0.001 0.000 0.318 230 G C -0.669 174.302 174.900 0.118 0.000 1.146 230 G CA -0.797 44.335 45.100 0.054 0.000 0.882 230 G HN 0.512 nan 8.290 nan 0.000 0.501 231 I N 0.253 120.909 120.570 0.143 0.000 2.656 231 I HA 0.439 4.608 4.170 -0.001 0.000 0.292 231 I C -0.459 175.766 176.117 0.180 0.000 1.144 231 I CA -0.533 60.887 61.300 0.201 0.000 1.038 231 I CB 2.503 40.654 38.000 0.253 0.000 1.244 231 I HN 0.406 nan 8.210 nan 0.000 0.420 232 S N 5.310 121.127 115.700 0.194 0.000 2.579 232 S HA 0.607 5.076 4.470 -0.001 0.000 0.272 232 S C -0.994 173.714 174.600 0.180 0.000 1.141 232 S CA -0.680 57.627 58.200 0.177 0.000 0.843 232 S CB 2.558 65.869 63.200 0.185 0.000 1.122 232 S HN 0.622 nan 8.310 nan 0.000 0.468 233 M N 3.393 123.091 119.600 0.164 0.000 2.078 233 M HA 0.334 4.813 4.480 -0.001 0.000 0.320 233 M C -0.970 175.427 176.300 0.162 0.000 0.969 233 M CA -0.700 54.694 55.300 0.158 0.000 0.929 233 M CB 0.529 33.215 32.600 0.144 0.000 1.504 233 M HN 0.803 nan 8.290 nan 0.000 0.419 234 D N 3.283 123.786 120.400 0.172 0.000 2.372 234 D HA 0.127 4.766 4.640 -0.001 0.000 0.243 234 D C 1.244 177.633 176.300 0.148 0.000 1.297 234 D CA 0.002 54.104 54.000 0.170 0.000 0.958 234 D CB 0.282 41.196 40.800 0.189 0.000 1.114 234 D HN 0.684 nan 8.370 nan 0.000 0.496 235 G N -0.657 108.217 108.800 0.124 0.000 2.501 235 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.220 235 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.220 235 G C 1.003 175.954 174.900 0.085 0.000 1.114 235 G CA 0.339 45.504 45.100 0.107 0.000 0.757 235 G HN 0.530 nan 8.290 nan 0.000 0.559 236 N N 0.111 118.868 118.700 0.095 0.000 2.280 236 N HA 0.123 4.862 4.740 -0.001 0.000 0.192 236 N C 1.638 177.264 175.510 0.194 0.000 1.109 236 N CA 0.871 53.978 53.050 0.095 0.000 0.855 236 N CB 0.685 39.217 38.487 0.076 0.000 0.974 236 N HN 0.400 nan 8.380 nan 0.000 0.482 237 G N 1.157 110.093 108.800 0.226 0.000 2.159 237 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.227 237 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.227 237 G C -0.032 174.959 174.900 0.151 0.000 0.986 237 G CA -0.063 45.222 45.100 0.308 0.000 0.651 237 G HN 0.452 nan 8.290 nan 0.000 0.523 238 Q N 0.304 120.185 119.800 0.135 0.000 2.261 238 Q HA 0.641 4.980 4.340 -0.001 0.000 0.252 238 Q C 0.462 176.536 176.000 0.122 0.000 0.915 238 Q CA -0.823 55.043 55.803 0.104 0.000 0.915 238 Q CB 0.523 29.323 28.738 0.104 0.000 1.204 238 Q HN 0.408 nan 8.270 nan 0.000 0.421 239 I N 4.081 124.713 120.570 0.104 0.000 2.471 239 I HA 0.095 4.264 4.170 -0.001 0.000 0.286 239 I C -0.666 175.555 176.117 0.173 0.000 1.079 239 I CA -0.395 60.985 61.300 0.132 0.000 1.398 239 I CB 0.891 38.927 38.000 0.060 0.000 1.403 239 I HN 0.364 nan 8.210 nan 0.000 0.530 240 V N 7.788 127.811 119.914 0.182 0.000 2.378 240 V HA 0.327 4.446 4.120 -0.001 0.000 0.288 240 V C -0.043 176.165 176.094 0.191 0.000 1.016 240 V CA -0.640 61.748 62.300 0.147 0.000 0.840 240 V CB 1.689 33.547 31.823 0.058 0.000 0.994 240 V HN 0.384 nan 8.190 nan 0.000 0.431 241 V N 4.495 124.529 119.914 0.201 0.000 2.417 241 V HA 0.661 4.780 4.120 -0.001 0.000 0.291 241 V C 0.288 176.510 176.094 0.213 0.000 1.024 241 V CA -0.354 62.060 62.300 0.189 0.000 0.861 241 V CB 1.998 33.866 31.823 0.075 0.000 0.985 241 V HN 1.000 nan 8.190 nan 0.000 0.436 242 T N 1.186 115.839 114.554 0.165 0.000 2.863 242 T HA 0.815 5.165 4.350 -0.001 0.000 0.285 242 T C 0.392 175.131 174.700 0.066 0.000 1.009 242 T CA 0.101 62.256 62.100 0.091 0.000 0.989 242 T CB 1.606 70.455 68.868 -0.032 0.000 1.004 242 T HN 1.708 nan 8.240 nan 0.000 0.455 243 G N 1.316 110.121 108.800 0.009 0.000 2.601 243 G HA2 0.300 4.259 3.960 -0.001 0.000 0.261 243 G HA3 0.300 4.259 3.960 -0.001 0.000 0.261 243 G C 0.417 175.398 174.900 0.135 0.000 1.289 243 G CA 0.469 45.567 45.100 -0.003 0.000 0.920 243 G HN 2.642 nan 8.290 nan 0.000 0.571 244 G N -1.391 107.416 108.800 0.012 0.000 2.408 244 G HA2 0.054 4.013 3.960 -0.001 0.000 0.204 244 G HA3 0.054 4.013 3.960 -0.001 0.000 0.204 244 G C 0.949 175.883 174.900 0.056 0.000 1.186 244 G CA 0.900 46.005 45.100 0.008 0.000 1.139 244 G HN 1.790 nan 8.290 nan 0.000 0.563 245 N N 1.017 119.808 118.700 0.151 0.000 2.069 245 N HA -0.088 4.651 4.740 -0.001 0.000 0.191 245 N C 0.130 175.697 175.510 0.095 0.000 1.031 245 N CA 1.816 54.953 53.050 0.145 0.000 0.852 245 N CB -0.213 38.429 38.487 0.259 0.000 1.018 245 N HN 0.487 nan 8.380 nan 0.000 0.423 246 D N 0.855 121.324 120.400 0.116 0.000 2.563 246 D HA 0.195 4.834 4.640 -0.001 0.000 0.222 246 D C 0.780 177.057 176.300 -0.038 0.000 1.145 246 D CA -0.090 53.931 54.000 0.036 0.000 1.001 246 D CB 0.809 41.635 40.800 0.043 0.000 1.049 246 D HN 0.244 nan 8.370 nan 0.000 0.515 247 A N 2.328 125.121 122.820 -0.044 0.000 2.054 247 A HA -0.251 4.068 4.320 -0.001 0.000 0.223 247 A C 1.820 179.307 177.584 -0.162 0.000 1.169 247 A CA 1.511 53.497 52.037 -0.085 0.000 0.655 247 A CB 0.009 18.967 19.000 -0.070 0.000 0.812 247 A HN 0.314 nan 8.150 nan 0.000 0.462 248 K N -1.028 119.257 120.400 -0.191 0.000 2.374 248 K HA 0.100 4.419 4.320 -0.001 0.000 0.202 248 K C -0.253 176.160 176.600 -0.310 0.000 1.040 248 K CA -0.236 55.899 56.287 -0.253 0.000 1.085 248 K CB 0.443 32.822 32.500 -0.203 0.000 0.873 248 K HN 0.184 nan 8.250 nan 0.000 0.539 249 K N 1.612 121.778 120.400 -0.389 0.000 2.202 249 K HA 0.178 4.497 4.320 -0.001 0.000 0.264 249 K C -0.022 176.232 176.600 -0.576 0.000 1.010 249 K CA 0.228 56.185 56.287 -0.550 0.000 0.940 249 K CB 1.218 33.202 32.500 -0.861 0.000 0.983 249 K HN -0.169 nan 8.250 nan 0.000 0.475 250 T N 0.833 115.209 114.554 -0.297 0.000 2.881 250 T HA 0.346 4.696 4.350 -0.001 0.000 0.290 250 T C -0.668 174.083 174.700 0.085 0.000 1.000 250 T CA -0.618 61.466 62.100 -0.026 0.000 0.978 250 T CB 1.333 70.282 68.868 0.134 0.000 0.997 250 T HN 0.348 nan 8.240 nan 0.000 0.443 251 S N 2.573 118.405 115.700 0.220 0.000 2.513 251 S HA 0.736 5.205 4.470 -0.001 0.000 0.299 251 S C -0.818 173.950 174.600 0.281 0.000 1.087 251 S CA -0.803 57.541 58.200 0.240 0.000 1.012 251 S CB 0.907 64.211 63.200 0.174 0.000 1.044 251 S HN 0.483 nan 8.310 nan 0.000 0.485 252 L N 2.333 123.738 121.223 0.303 0.000 2.362 252 L HA 0.522 4.862 4.340 -0.001 0.000 0.271 252 L C -1.263 175.734 176.870 0.210 0.000 1.002 252 L CA -0.945 54.041 54.840 0.244 0.000 0.818 252 L CB 1.179 43.317 42.059 0.133 0.000 1.298 252 L HN 0.644 nan 8.230 nan 0.000 0.420 253 Y N 1.490 121.703 120.300 -0.145 0.000 2.367 253 Y HA 0.191 4.742 4.550 0.001 0.000 0.342 253 Y C -0.142 175.565 175.900 -0.322 0.000 0.979 253 Y CA -0.652 57.107 58.100 -0.569 0.000 1.161 253 Y CB 1.114 38.979 38.460 -0.991 0.000 1.155 253 Y HN 0.552 nan 8.280 nan 0.000 0.503 254 D N 3.298 123.281 120.400 -0.696 0.000 2.393 254 D HA 0.099 4.738 4.640 -0.001 0.000 0.232 254 D C 0.929 176.856 176.300 -0.622 0.000 1.192 254 D CA 0.248 53.969 54.000 -0.466 0.000 0.882 254 D CB 0.923 41.526 40.800 -0.329 0.000 1.038 254 D HN 0.617 nan 8.370 nan 0.000 0.499 255 S N 1.919 117.414 115.700 -0.342 0.000 2.382 255 S HA -0.245 4.225 4.470 -0.001 0.000 0.228 255 S C 2.046 176.533 174.600 -0.188 0.000 1.027 255 S CA 1.158 59.232 58.200 -0.210 0.000 0.991 255 S CB -0.502 62.648 63.200 -0.084 0.000 0.823 255 S HN 0.487 nan 8.310 nan 0.000 0.469 256 S N 2.246 117.846 115.700 -0.167 0.000 2.402 256 S HA -0.070 4.399 4.470 -0.001 0.000 0.229 256 S C 1.813 176.330 174.600 -0.138 0.000 1.021 256 S CA 1.146 59.272 58.200 -0.124 0.000 0.974 256 S CB -0.802 62.342 63.200 -0.094 0.000 0.800 256 S HN 0.838 nan 8.310 nan 0.000 0.484 257 S N 0.001 115.583 115.700 -0.198 0.000 2.578 257 S HA 0.260 4.729 4.470 -0.001 0.000 0.231 257 S C -0.389 174.067 174.600 -0.240 0.000 0.994 257 S CA -0.039 58.051 58.200 -0.183 0.000 0.956 257 S CB -0.315 62.788 63.200 -0.162 0.000 0.870 257 S HN 0.285 nan 8.310 nan 0.000 0.494 258 D N 2.067 122.264 120.400 -0.338 0.000 2.697 258 D HA -0.121 4.519 4.640 -0.001 0.000 0.235 258 D C -0.140 175.876 176.300 -0.474 0.000 1.167 258 D CA 1.557 55.345 54.000 -0.354 0.000 0.656 258 D CB -1.727 39.026 40.800 -0.078 0.000 1.025 258 D HN 0.771 nan 8.370 nan 0.000 0.419 259 S N -1.992 113.196 115.700 -0.854 0.000 2.570 259 S HA 0.643 5.112 4.470 -0.001 0.000 0.270 259 S C -0.815 173.396 174.600 -0.648 0.000 1.149 259 S CA -1.235 56.636 58.200 -0.548 0.000 0.837 259 S CB 1.186 64.243 63.200 -0.238 0.000 1.124 259 S HN 0.173 nan 8.310 nan 0.000 0.465 260 W N 2.253 123.458 121.300 -0.159 0.000 2.322 260 W HA 0.616 5.274 4.660 -0.002 0.000 0.307 260 W C 0.279 176.750 176.519 -0.081 0.000 1.220 260 W CA -0.683 56.607 57.345 -0.090 0.000 1.210 260 W CB 0.813 30.248 29.460 -0.041 0.000 1.223 260 W HN 0.739 nan 8.180 nan 0.000 0.511 261 I N 2.403 123.071 120.570 0.163 0.000 2.740 261 I HA 0.666 4.836 4.170 -0.001 0.000 0.303 261 I C -2.252 173.942 176.117 0.129 0.000 1.044 261 I CA -3.229 58.129 61.300 0.096 0.000 1.064 261 I CB 1.971 39.984 38.000 0.021 0.000 1.249 261 I HN 0.076 nan 8.210 nan 0.000 0.433 262 P HA 0.246 nan 4.420 nan 0.000 0.271 262 P C -0.329 177.027 177.300 0.093 0.000 1.216 262 P CA 0.243 63.396 63.100 0.088 0.000 0.776 262 P CB 1.289 33.026 31.700 0.061 0.000 0.881 263 G N 2.541 111.401 108.800 0.099 0.000 2.735 263 G HA2 0.630 4.589 3.960 -0.001 0.000 0.301 263 G HA3 0.630 4.589 3.960 -0.001 0.000 0.301 263 G C -2.737 172.247 174.900 0.140 0.000 1.279 263 G CA -1.678 43.496 45.100 0.123 0.000 1.019 263 G HN 0.370 nan 8.290 nan 0.000 0.497 264 P HA 0.218 nan 4.420 nan 0.000 0.275 264 P C -0.940 176.527 177.300 0.278 0.000 1.228 264 P CA -0.301 62.949 63.100 0.250 0.000 0.786 264 P CB 1.240 33.130 31.700 0.318 0.000 0.927 265 D N 1.561 122.040 120.400 0.132 0.000 2.414 265 D HA 0.156 4.795 4.640 -0.001 0.000 0.242 265 D C 0.812 177.052 176.300 -0.099 0.000 1.129 265 D CA 0.344 54.331 54.000 -0.021 0.000 0.885 265 D CB 0.228 40.997 40.800 -0.051 0.000 1.198 265 D HN 0.256 nan 8.370 nan 0.000 0.437 266 M N 1.680 121.006 119.600 -0.457 0.000 2.198 266 M HA 0.018 4.498 4.480 -0.001 0.000 0.315 266 M C 1.370 177.471 176.300 -0.332 0.000 1.134 266 M CA -0.261 54.572 55.300 -0.779 0.000 1.171 266 M CB 0.624 32.638 32.600 -0.977 0.000 1.413 266 M HN 0.271 nan 8.290 nan 0.000 0.467 267 Q N 0.276 119.930 119.800 -0.243 0.000 2.331 267 Q HA 0.137 4.477 4.340 -0.001 0.000 0.203 267 Q C -0.179 175.694 176.000 -0.212 0.000 0.944 267 Q CA 0.719 56.432 55.803 -0.149 0.000 0.892 267 Q CB 0.123 28.825 28.738 -0.060 0.000 0.983 267 Q HN 0.497 nan 8.270 nan 0.000 0.482 268 V N 0.416 120.179 119.914 -0.252 0.000 2.735 268 V HA 0.582 4.701 4.120 -0.001 0.000 0.310 268 V C -0.506 175.452 176.094 -0.227 0.000 1.061 268 V CA -1.319 60.843 62.300 -0.230 0.000 0.913 268 V CB 1.762 33.475 31.823 -0.184 0.000 1.005 268 V HN 0.101 nan 8.190 nan 0.000 0.428 269 A N 4.970 127.689 122.820 -0.167 0.000 2.450 269 A HA 0.711 5.030 4.320 -0.001 0.000 0.255 269 A C 0.188 177.697 177.584 -0.125 0.000 1.096 269 A CA 0.002 51.955 52.037 -0.139 0.000 0.778 269 A CB 0.070 19.018 19.000 -0.087 0.000 1.031 269 A HN 0.862 nan 8.150 nan 0.000 0.494 270 R N 1.103 121.521 120.500 -0.137 0.000 2.698 270 R HA 0.672 5.011 4.340 -0.001 0.000 0.275 270 R C -0.302 175.945 176.300 -0.088 0.000 1.001 270 R CA -0.433 55.598 56.100 -0.115 0.000 0.896 270 R CB 2.700 32.899 30.300 -0.168 0.000 1.218 270 R HN 0.933 nan 8.270 nan 0.000 0.462 271 G N 0.382 109.150 108.800 -0.054 0.000 2.706 271 G HA2 0.448 4.407 3.960 -0.001 0.000 0.297 271 G HA3 0.448 4.407 3.960 -0.001 0.000 0.297 271 G C -0.921 173.968 174.900 -0.018 0.000 1.403 271 G CA -0.569 44.486 45.100 -0.076 0.000 0.954 271 G HN 0.726 nan 8.290 nan 0.000 0.500 272 Y N -1.273 118.915 120.300 -0.187 0.000 4.604 272 Y HA -0.256 4.294 4.550 -0.001 0.000 0.230 272 Y C 1.529 177.228 175.900 -0.336 0.000 1.066 272 Y CA 1.241 59.157 58.100 -0.307 0.000 1.990 272 Y CB -1.496 36.709 38.460 -0.425 0.000 1.619 272 Y HN 0.788 nan 8.280 nan 0.000 0.649 273 Q N 0.702 120.452 119.800 -0.084 0.000 2.212 273 Q HA 0.669 5.008 4.340 -0.001 0.000 0.238 273 Q C -0.168 175.832 176.000 0.001 0.000 0.955 273 Q CA -0.358 55.404 55.803 -0.069 0.000 0.906 273 Q CB 2.010 30.688 28.738 -0.100 0.000 1.215 273 Q HN 0.181 nan 8.270 nan 0.000 0.478 274 S N 0.884 116.592 115.700 0.013 0.000 2.593 274 S HA 0.635 5.104 4.470 -0.001 0.000 0.297 274 S C -0.662 173.954 174.600 0.028 0.000 1.112 274 S CA -0.523 57.709 58.200 0.054 0.000 1.043 274 S CB 1.281 64.527 63.200 0.078 0.000 1.054 274 S HN 0.758 nan 8.310 nan 0.000 0.516 275 S N 0.460 116.204 115.700 0.073 0.000 2.568 275 S HA 0.909 5.378 4.470 -0.001 0.000 0.293 275 S C -0.963 173.730 174.600 0.156 0.000 1.089 275 S CA -0.949 57.322 58.200 0.117 0.000 0.945 275 S CB 1.810 65.104 63.200 0.157 0.000 1.077 275 S HN 0.995 nan 8.310 nan 0.000 0.485 276 A N 1.581 124.539 122.820 0.229 0.000 2.427 276 A HA 0.719 5.039 4.320 -0.001 0.000 0.298 276 A C -0.125 177.613 177.584 0.258 0.000 1.036 276 A CA -0.753 51.418 52.037 0.223 0.000 0.701 276 A CB 1.152 20.289 19.000 0.228 0.000 1.250 276 A HN 0.791 nan 8.150 nan 0.000 0.412 277 T N 3.380 118.063 114.554 0.216 0.000 2.919 277 T HA 0.411 4.761 4.350 -0.001 0.000 0.302 277 T C 0.540 175.374 174.700 0.223 0.000 1.031 277 T CA 0.593 62.820 62.100 0.212 0.000 1.127 277 T CB 0.093 69.071 68.868 0.184 0.000 0.952 277 T HN 0.585 nan 8.240 nan 0.000 0.540 278 M N 1.357 121.079 119.600 0.204 0.000 2.649 278 M HA 0.273 4.752 4.480 -0.001 0.000 0.294 278 M C 1.937 178.335 176.300 0.163 0.000 1.206 278 M CA -0.734 54.680 55.300 0.189 0.000 0.928 278 M CB 1.097 33.797 32.600 0.166 0.000 1.571 278 M HN 0.714 nan 8.290 nan 0.000 0.501 279 S N -0.421 115.366 115.700 0.144 0.000 2.440 279 S HA -0.157 4.312 4.470 -0.001 0.000 0.238 279 S C 0.833 175.481 174.600 0.080 0.000 1.010 279 S CA 1.604 59.868 58.200 0.107 0.000 0.972 279 S CB -0.666 62.573 63.200 0.065 0.000 0.774 279 S HN 0.829 nan 8.310 nan 0.000 0.501 280 D N -0.452 119.993 120.400 0.075 0.000 2.363 280 D HA 0.346 4.985 4.640 -0.001 0.000 0.214 280 D C 1.341 177.668 176.300 0.044 0.000 1.093 280 D CA 0.382 54.411 54.000 0.049 0.000 0.837 280 D CB -0.347 40.475 40.800 0.037 0.000 0.948 280 D HN 0.522 nan 8.370 nan 0.000 0.507 281 G N 0.272 109.115 108.800 0.072 0.000 2.217 281 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.246 281 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.246 281 G C 0.514 175.446 174.900 0.053 0.000 0.990 281 G CA -0.023 45.117 45.100 0.066 0.000 0.627 281 G HN 0.445 nan 8.290 nan 0.000 0.522 282 R N -0.542 119.984 120.500 0.044 0.000 2.652 282 R HA 0.585 4.924 4.340 -0.001 0.000 0.271 282 R C -0.184 176.191 176.300 0.126 0.000 1.129 282 R CA -0.123 55.989 56.100 0.020 0.000 1.200 282 R CB 0.956 31.260 30.300 0.005 0.000 1.146 282 R HN 0.114 nan 8.270 nan 0.000 0.581 283 V N 1.935 121.942 119.914 0.154 0.000 2.487 283 V HA 0.290 4.409 4.120 -0.001 0.000 0.298 283 V C -0.886 175.402 176.094 0.324 0.000 1.028 283 V CA -0.652 61.798 62.300 0.249 0.000 0.860 283 V CB 1.373 33.359 31.823 0.272 0.000 0.991 283 V HN 0.489 nan 8.190 nan 0.000 0.427 284 F N 3.663 123.736 119.950 0.206 0.000 2.422 284 F HA 0.780 5.306 4.527 -0.001 0.000 0.333 284 F C 0.123 176.051 175.800 0.213 0.000 1.095 284 F CA 0.144 58.274 58.000 0.216 0.000 1.038 284 F CB 1.969 41.065 39.000 0.160 0.000 1.156 284 F HN 0.514 nan 8.300 nan 0.000 0.483 285 T N 6.942 121.129 114.554 -0.613 0.000 2.900 285 T HA 0.678 5.027 4.350 -0.001 0.000 0.303 285 T C -1.750 172.433 174.700 -0.862 0.000 1.142 285 T CA -0.549 61.248 62.100 -0.505 0.000 1.007 285 T CB 1.094 69.858 68.868 -0.172 0.000 1.156 285 T HN 0.733 nan 8.240 nan 0.000 0.490 286 I N 1.957 122.201 120.570 -0.543 0.000 2.918 286 I HA 0.650 4.819 4.170 -0.001 0.000 0.301 286 I C -0.195 175.781 176.117 -0.236 0.000 1.312 286 I CA 0.379 61.417 61.300 -0.436 0.000 1.007 286 I CB 1.773 39.474 38.000 -0.498 0.000 1.281 286 I HN 1.133 nan 8.210 nan 0.000 0.440 287 G N 3.483 112.181 108.800 -0.171 0.000 2.756 287 G HA2 0.341 4.300 3.960 -0.001 0.000 0.678 287 G HA3 0.341 4.300 3.960 -0.001 0.000 0.678 287 G C 0.096 174.933 174.900 -0.105 0.000 1.349 287 G CA -0.260 44.775 45.100 -0.110 0.000 0.847 287 G HN 1.789 nan 8.290 nan 0.000 0.548 288 G N -1.373 107.385 108.800 -0.071 0.000 4.706 288 G HA2 0.609 4.568 3.960 -0.001 0.000 0.223 288 G HA3 0.609 4.568 3.960 -0.001 0.000 0.223 288 G C 0.478 175.371 174.900 -0.012 0.000 0.812 288 G CA 1.674 46.738 45.100 -0.060 0.000 1.222 288 G HN 2.608 nan 8.290 nan 0.000 0.732 289 S N -2.292 113.398 115.700 -0.017 0.000 3.443 289 S HA -0.182 4.287 4.470 -0.001 0.000 0.635 289 S C -0.107 174.594 174.600 0.169 0.000 2.555 289 S CA 1.102 59.304 58.200 0.003 0.000 2.778 289 S CB -0.897 62.297 63.200 -0.009 0.000 0.331 289 S HN 1.721 nan 8.310 nan 0.000 1.765 290 W N 1.337 122.675 121.300 0.064 0.000 2.578 290 W HA 0.736 5.396 4.660 -0.001 0.000 0.346 290 W C -0.574 175.996 176.519 0.084 0.000 1.075 290 W CA 0.236 57.630 57.345 0.081 0.000 1.233 290 W CB 1.719 31.243 29.460 0.106 0.000 1.358 290 W HN 0.654 nan 8.180 nan 0.000 0.574 291 S N 1.618 116.774 115.700 -0.907 0.000 2.548 291 S HA 0.511 4.980 4.470 -0.001 0.000 0.286 291 S C -0.281 173.532 174.600 -1.312 0.000 1.098 291 S CA -0.718 56.989 58.200 -0.820 0.000 0.930 291 S CB 1.714 64.712 63.200 -0.337 0.000 1.070 291 S HN 0.783 nan 8.310 nan 0.000 0.480 292 G N 1.038 109.302 108.800 -0.894 0.000 2.369 292 G HA2 0.464 4.424 3.960 -0.001 0.000 0.287 292 G HA3 0.464 4.424 3.960 -0.001 0.000 0.287 292 G C 0.534 175.142 174.900 -0.486 0.000 1.009 292 G CA 0.552 45.238 45.100 -0.691 0.000 1.393 292 G HN 1.111 nan 8.290 nan 0.000 0.432 293 G N -0.258 108.263 108.800 -0.465 0.000 2.373 293 G HA2 0.340 4.299 3.960 -0.001 0.000 0.250 293 G HA3 0.340 4.299 3.960 -0.001 0.000 0.250 293 G C 0.086 174.800 174.900 -0.310 0.000 1.304 293 G CA 0.503 45.342 45.100 -0.436 0.000 0.948 293 G HN 1.564 nan 8.290 nan 0.000 0.474 294 V N -2.418 117.226 119.914 -0.449 0.000 3.111 294 V HA 0.559 4.679 4.120 -0.001 0.000 0.343 294 V C 0.157 176.208 176.094 -0.073 0.000 1.417 294 V CA -0.420 61.780 62.300 -0.166 0.000 1.142 294 V CB -0.639 31.120 31.823 -0.106 0.000 1.114 294 V HN 0.509 nan 8.190 nan 0.000 0.520 295 F N 1.961 121.899 119.950 -0.021 0.000 2.506 295 F HA 0.388 4.914 4.527 -0.001 0.000 0.371 295 F C 1.165 176.961 175.800 -0.006 0.000 1.078 295 F CA -0.244 57.740 58.000 -0.026 0.000 1.195 295 F CB 0.523 39.485 39.000 -0.064 0.000 1.099 295 F HN 0.228 nan 8.300 nan 0.000 0.548 296 E N 3.245 123.571 120.200 0.210 0.000 2.374 296 E HA 0.111 4.461 4.350 -0.001 0.000 0.260 296 E C -0.095 176.551 176.600 0.078 0.000 1.101 296 E CA -0.649 55.828 56.400 0.128 0.000 0.907 296 E CB 0.768 30.532 29.700 0.107 0.000 1.014 296 E HN 0.342 nan 8.360 nan 0.000 0.427 297 K N 2.369 122.799 120.400 0.050 0.000 3.129 297 K HA 0.227 4.546 4.320 -0.001 0.000 0.224 297 K C -0.571 176.010 176.600 -0.031 0.000 1.249 297 K CA -0.177 56.106 56.287 -0.006 0.000 1.177 297 K CB -0.602 31.891 32.500 -0.011 0.000 1.393 297 K HN 0.426 nan 8.250 nan 0.000 0.459 298 N N -0.059 118.638 118.700 -0.005 0.000 2.294 298 N HA 0.153 4.893 4.740 -0.001 0.000 0.248 298 N C 0.763 176.233 175.510 -0.066 0.000 1.300 298 N CA -0.049 53.005 53.050 0.006 0.000 0.925 298 N CB 0.365 38.892 38.487 0.066 0.000 1.188 298 N HN 0.225 nan 8.380 nan 0.000 0.512 299 G N -0.925 107.850 108.800 -0.042 0.000 2.606 299 G HA2 0.364 4.323 3.960 -0.001 0.000 0.252 299 G HA3 0.364 4.323 3.960 -0.001 0.000 0.252 299 G C -0.710 174.149 174.900 -0.068 0.000 1.206 299 G CA -0.184 44.805 45.100 -0.185 0.000 0.861 299 G HN 0.723 nan 8.290 nan 0.000 0.561 300 E N -2.191 117.924 120.200 -0.143 0.000 2.407 300 E HA 0.550 4.899 4.350 -0.001 0.000 0.279 300 E C -2.000 174.778 176.600 0.296 0.000 1.012 300 E CA -1.033 55.440 56.400 0.122 0.000 0.800 300 E CB 2.175 31.941 29.700 0.109 0.000 1.276 300 E HN 0.594 nan 8.360 nan 0.000 0.452 301 V N 1.948 122.112 119.914 0.416 0.000 2.709 301 V HA 0.515 4.634 4.120 -0.001 0.000 0.308 301 V C -1.886 174.265 176.094 0.096 0.000 1.062 301 V CA -0.600 61.903 62.300 0.339 0.000 0.901 301 V CB 1.658 33.651 31.823 0.284 0.000 1.003 301 V HN 0.738 nan 8.190 nan 0.000 0.425 302 Y N 4.876 124.872 120.300 -0.507 0.000 2.360 302 Y HA 0.710 5.259 4.550 -0.002 0.000 0.337 302 Y C 0.077 175.701 175.900 -0.459 0.000 1.039 302 Y CA -0.183 57.301 58.100 -1.026 0.000 1.109 302 Y CB 1.957 39.271 38.460 -1.910 0.000 1.201 302 Y HN 0.667 nan 8.280 nan 0.000 0.458 303 S N 7.665 122.780 115.700 -0.976 0.000 2.474 303 S HA 0.423 4.892 4.470 -0.001 0.000 0.321 303 S C -2.229 171.712 174.600 -1.099 0.000 1.080 303 S CA -1.754 55.984 58.200 -0.769 0.000 1.106 303 S CB 1.273 64.246 63.200 -0.379 0.000 0.984 303 S HN 0.649 nan 8.310 nan 0.000 0.464 304 P HA -0.077 nan 4.420 nan 0.000 0.221 304 P C 1.486 178.623 177.300 -0.271 0.000 1.150 304 P CA 0.879 63.656 63.100 -0.538 0.000 0.800 304 P CB 0.097 31.674 31.700 -0.204 0.000 0.787 305 S N -0.823 114.736 115.700 -0.235 0.000 2.362 305 S HA -0.094 4.375 4.470 -0.001 0.000 0.221 305 S C 1.993 176.520 174.600 -0.121 0.000 1.032 305 S CA 1.443 59.562 58.200 -0.135 0.000 0.973 305 S CB -1.430 61.708 63.200 -0.104 0.000 0.849 305 S HN 0.213 nan 8.310 nan 0.000 0.465 306 S N 0.413 116.020 115.700 -0.156 0.000 2.548 306 S HA 0.281 4.750 4.470 -0.001 0.000 0.215 306 S C 0.294 174.836 174.600 -0.098 0.000 0.976 306 S CA -0.238 57.899 58.200 -0.106 0.000 0.908 306 S CB -0.405 62.740 63.200 -0.092 0.000 0.781 306 S HN 0.253 nan 8.310 nan 0.000 0.519 307 K N 2.266 122.567 120.400 -0.164 0.000 3.257 307 K HA -0.116 4.203 4.320 -0.001 0.000 0.270 307 K C -0.088 176.515 176.600 0.005 0.000 0.984 307 K CA 1.313 57.565 56.287 -0.057 0.000 0.739 307 K CB -2.702 29.820 32.500 0.036 0.000 1.351 307 K HN 0.902 nan 8.250 nan 0.000 0.463 308 T N -3.580 110.919 114.554 -0.092 0.000 2.896 308 T HA 0.707 5.056 4.350 -0.001 0.000 0.297 308 T C -0.707 173.981 174.700 -0.021 0.000 1.108 308 T CA -0.925 61.184 62.100 0.015 0.000 1.004 308 T CB 1.713 70.586 68.868 0.008 0.000 1.159 308 T HN 0.265 nan 8.240 nan 0.000 0.499 309 W N 0.824 122.203 121.300 0.132 0.000 2.632 309 W HA 0.608 5.267 4.660 -0.002 0.000 0.328 309 W C -0.405 176.153 176.519 0.065 0.000 1.044 309 W CA -0.435 56.985 57.345 0.126 0.000 1.225 309 W CB 2.529 32.042 29.460 0.089 0.000 1.396 309 W HN 0.740 nan 8.180 nan 0.000 0.499 310 T N 2.068 116.813 114.554 0.318 0.000 2.841 310 T HA 0.233 4.582 4.350 -0.001 0.000 0.285 310 T C -0.361 174.458 174.700 0.198 0.000 0.991 310 T CA -0.674 61.544 62.100 0.197 0.000 0.966 310 T CB 1.618 70.565 68.868 0.132 0.000 0.962 310 T HN 0.266 nan 8.240 nan 0.000 0.438 311 S N 2.489 118.269 115.700 0.133 0.000 2.562 311 S HA 0.372 4.842 4.470 -0.001 0.000 0.281 311 S C -0.008 174.666 174.600 0.124 0.000 1.333 311 S CA -0.491 57.770 58.200 0.102 0.000 1.052 311 S CB -0.117 63.111 63.200 0.047 0.000 0.884 311 S HN 0.569 nan 8.310 nan 0.000 0.506 312 L N 7.349 128.656 121.223 0.141 0.000 2.679 312 L HA 0.320 4.659 4.340 -0.001 0.000 0.238 312 L C -1.486 175.481 176.870 0.161 0.000 1.330 312 L CA -1.483 53.465 54.840 0.181 0.000 0.935 312 L CB 1.348 43.576 42.059 0.281 0.000 1.243 312 L HN 0.565 nan 8.230 nan 0.000 0.484 313 P HA -0.166 nan 4.420 nan 0.000 0.221 313 P C 0.607 177.985 177.300 0.131 0.000 1.145 313 P CA 1.273 64.436 63.100 0.105 0.000 0.795 313 P CB 0.310 32.058 31.700 0.079 0.000 0.775 314 N N -0.143 118.647 118.700 0.150 0.000 2.398 314 N HA 0.071 4.810 4.740 -0.001 0.000 0.188 314 N C 0.673 176.321 175.510 0.228 0.000 1.122 314 N CA 0.216 53.362 53.050 0.160 0.000 0.866 314 N CB -0.150 38.415 38.487 0.131 0.000 0.970 314 N HN 0.109 nan 8.380 nan 0.000 0.462 315 A N 1.578 124.571 122.820 0.289 0.000 2.923 315 A HA 0.155 4.474 4.320 -0.001 0.000 0.306 315 A C 0.158 177.982 177.584 0.400 0.000 1.542 315 A CA -0.447 51.861 52.037 0.452 0.000 1.225 315 A CB -0.056 19.261 19.000 0.528 0.000 1.147 315 A HN -0.157 nan 8.150 nan 0.000 0.542 316 K N 1.175 121.797 120.400 0.371 0.000 2.412 316 K HA 0.054 4.373 4.320 -0.001 0.000 0.281 316 K C 1.109 177.906 176.600 0.329 0.000 1.027 316 K CA -0.153 56.300 56.287 0.276 0.000 0.989 316 K CB 1.652 34.270 32.500 0.196 0.000 0.935 316 K HN 0.305 nan 8.250 nan 0.000 0.475 317 V N 3.322 123.346 119.914 0.184 0.000 2.951 317 V HA -0.184 3.935 4.120 -0.001 0.000 0.255 317 V C 1.333 177.504 176.094 0.129 0.000 1.088 317 V CA 1.218 63.601 62.300 0.138 0.000 1.109 317 V CB -0.262 31.585 31.823 0.041 0.000 0.724 317 V HN 0.598 nan 8.190 nan 0.000 0.471 318 N N 1.276 120.042 118.700 0.110 0.000 2.060 318 N HA -0.135 4.604 4.740 -0.001 0.000 0.195 318 N C -0.626 174.920 175.510 0.061 0.000 1.028 318 N CA 2.291 55.385 53.050 0.073 0.000 0.861 318 N CB -1.790 36.736 38.487 0.064 0.000 1.029 318 N HN 0.443 nan 8.380 nan 0.000 0.428 319 P HA -0.082 nan 4.420 nan 0.000 0.223 319 P C 1.189 178.498 177.300 0.015 0.000 1.144 319 P CA 1.085 64.207 63.100 0.038 0.000 0.783 319 P CB -0.106 31.609 31.700 0.026 0.000 0.771 320 M N -3.746 115.887 119.600 0.055 0.000 2.383 320 M HA 0.207 4.686 4.480 -0.001 0.000 0.247 320 M C -0.084 176.188 176.300 -0.047 0.000 1.117 320 M CA 0.236 55.536 55.300 -0.000 0.000 0.995 320 M CB -0.279 32.364 32.600 0.071 0.000 1.480 320 M HN -0.286 nan 8.290 nan 0.000 0.485 321 L N 2.600 123.806 121.223 -0.028 0.000 2.416 321 L HA 0.301 4.640 4.340 -0.001 0.000 0.272 321 L C 0.946 177.777 176.870 -0.065 0.000 1.161 321 L CA -0.438 54.376 54.840 -0.043 0.000 0.845 321 L CB 0.782 42.829 42.059 -0.020 0.000 1.119 321 L HN 0.395 nan 8.230 nan 0.000 0.464 322 T N -0.571 113.938 114.554 -0.075 0.000 2.810 322 T HA 0.444 4.793 4.350 -0.001 0.000 0.277 322 T C 0.634 175.301 174.700 -0.054 0.000 0.973 322 T CA -0.308 61.745 62.100 -0.079 0.000 0.949 322 T CB 1.402 70.220 68.868 -0.083 0.000 1.075 322 T HN 0.636 nan 8.240 nan 0.000 0.537 323 A N 0.225 123.015 122.820 -0.049 0.000 2.640 323 A HA 0.234 4.553 4.320 -0.001 0.000 0.282 323 A C 0.653 178.217 177.584 -0.033 0.000 1.357 323 A CA -0.487 51.526 52.037 -0.039 0.000 0.946 323 A CB -0.944 18.034 19.000 -0.037 0.000 1.065 323 A HN 0.903 nan 8.150 nan 0.000 0.541 324 D N 0.818 121.201 120.400 -0.029 0.000 2.571 324 D HA -0.047 4.593 4.640 -0.001 0.000 0.231 324 D C 0.766 177.055 176.300 -0.020 0.000 1.133 324 D CA 0.572 54.564 54.000 -0.014 0.000 0.862 324 D CB 0.720 41.520 40.800 -0.000 0.000 1.179 324 D HN 0.365 nan 8.370 nan 0.000 0.474 325 K N 2.197 122.588 120.400 -0.014 0.000 2.209 325 K HA -0.166 4.153 4.320 -0.001 0.000 0.204 325 K C 1.555 178.136 176.600 -0.032 0.000 1.048 325 K CA 0.953 57.226 56.287 -0.024 0.000 0.940 325 K CB 0.122 32.610 32.500 -0.019 0.000 0.729 325 K HN 0.513 nan 8.250 nan 0.000 0.451 326 Q N 0.155 119.946 119.800 -0.014 0.000 2.365 326 Q HA 0.081 4.420 4.340 -0.001 0.000 0.203 326 Q C 0.789 176.769 176.000 -0.033 0.000 0.929 326 Q CA 0.143 55.938 55.803 -0.013 0.000 0.948 326 Q CB 0.512 29.287 28.738 0.063 0.000 1.043 326 Q HN 0.411 nan 8.270 nan 0.000 0.505 327 G N 1.271 110.040 108.800 -0.050 0.000 2.564 327 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.273 327 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.273 327 G C 0.537 175.405 174.900 -0.054 0.000 1.242 327 G CA 0.069 45.123 45.100 -0.076 0.000 0.951 327 G HN 0.299 nan 8.290 nan 0.000 0.564 328 L N -0.589 120.584 121.223 -0.083 0.000 2.263 328 L HA -0.122 4.217 4.340 -0.001 0.000 0.216 328 L C 2.562 179.476 176.870 0.074 0.000 1.111 328 L CA 2.140 56.974 54.840 -0.010 0.000 0.773 328 L CB -0.503 41.553 42.059 -0.005 0.000 0.906 328 L HN 0.580 nan 8.230 nan 0.000 0.439 329 Y N 0.798 121.059 120.300 -0.065 0.000 2.274 329 Y HA -0.208 4.341 4.550 -0.001 0.000 0.290 329 Y C 2.449 178.270 175.900 -0.132 0.000 1.145 329 Y CA 1.544 59.625 58.100 -0.031 0.000 1.203 329 Y CB 0.056 38.467 38.460 -0.081 0.000 0.984 329 Y HN 0.016 nan 8.280 nan 0.000 0.533 330 R N -1.284 119.101 120.500 -0.192 0.000 2.435 330 R HA 0.114 4.453 4.340 -0.001 0.000 0.221 330 R C 2.302 178.536 176.300 -0.111 0.000 0.885 330 R CA 0.911 56.853 56.100 -0.263 0.000 1.018 330 R CB -0.698 29.518 30.300 -0.139 0.000 1.259 330 R HN 0.404 nan 8.270 nan 0.000 0.597 331 S N 1.943 117.603 115.700 -0.067 0.000 2.440 331 S HA -0.156 4.314 4.470 -0.001 0.000 0.238 331 S C 1.082 175.645 174.600 -0.061 0.000 1.010 331 S CA 1.703 59.873 58.200 -0.051 0.000 0.972 331 S CB -0.239 62.937 63.200 -0.040 0.000 0.774 331 S HN 0.327 nan 8.310 nan 0.000 0.501 332 D N 0.059 120.417 120.400 -0.070 0.000 2.402 332 D HA 0.187 4.826 4.640 -0.001 0.000 0.216 332 D C -0.452 175.789 176.300 -0.099 0.000 1.128 332 D CA -0.625 53.332 54.000 -0.072 0.000 0.833 332 D CB -0.763 40.008 40.800 -0.049 0.000 0.971 332 D HN 0.155 nan 8.370 nan 0.000 0.503 333 N N 1.456 120.082 118.700 -0.124 0.000 2.482 333 N HA 0.033 4.773 4.740 -0.001 0.000 0.260 333 N C 0.087 175.533 175.510 -0.107 0.000 1.236 333 N CA 0.028 52.949 53.050 -0.215 0.000 0.938 333 N CB 0.007 38.337 38.487 -0.262 0.000 1.128 333 N HN 0.098 nan 8.380 nan 0.000 0.448 334 H N -1.869 117.272 119.070 0.118 0.000 2.415 334 H HA -0.187 4.368 4.556 -0.002 0.000 0.323 334 H C 0.009 175.400 175.328 0.105 0.000 1.035 334 H CA 0.558 56.682 56.048 0.126 0.000 1.098 334 H CB -1.874 28.002 29.762 0.190 0.000 1.575 334 H HN 0.617 nan 8.280 nan 0.000 0.387 335 A N 0.460 123.344 122.820 0.106 0.000 2.483 335 A HA 0.133 4.452 4.320 -0.001 0.000 0.238 335 A C 0.327 178.021 177.584 0.182 0.000 1.070 335 A CA -0.175 51.880 52.037 0.030 0.000 0.770 335 A CB 0.255 19.248 19.000 -0.012 0.000 1.008 335 A HN 0.428 nan 8.150 nan 0.000 0.497 336 W N 3.305 124.567 121.300 -0.064 0.000 1.864 336 W HA 0.416 5.075 4.660 -0.002 0.000 0.425 336 W C -0.532 175.879 176.519 -0.179 0.000 0.791 336 W CA -0.682 56.594 57.345 -0.115 0.000 1.650 336 W CB -0.957 28.506 29.460 0.004 0.000 1.791 336 W HN 0.343 nan 8.180 nan 0.000 0.266 337 L N 2.612 123.779 121.223 -0.094 0.000 2.334 337 L HA 0.561 4.901 4.340 -0.001 0.000 0.277 337 L C -0.533 176.107 176.870 -0.385 0.000 1.075 337 L CA -0.579 54.212 54.840 -0.082 0.000 0.804 337 L CB 0.613 42.709 42.059 0.062 0.000 1.174 337 L HN -0.070 nan 8.230 nan 0.000 0.438 338 F N 0.168 120.243 119.950 0.209 0.000 2.617 338 F HA 0.420 4.946 4.527 -0.001 0.000 0.325 338 F C 0.766 176.742 175.800 0.294 0.000 1.179 338 F CA -0.712 57.426 58.000 0.229 0.000 0.965 338 F CB 1.724 40.837 39.000 0.188 0.000 1.232 338 F HN 0.457 nan 8.300 nan 0.000 0.461 339 G N 2.587 111.654 108.800 0.445 0.000 2.432 339 G HA2 0.167 4.126 3.960 -0.001 0.000 0.239 339 G HA3 0.167 4.126 3.960 -0.001 0.000 0.239 339 G C -0.858 174.404 174.900 0.603 0.000 1.291 339 G CA -0.136 45.215 45.100 0.420 0.000 0.863 339 G HN 0.746 nan 8.290 nan 0.000 0.560 340 W N 1.183 122.630 121.300 0.245 0.000 3.624 340 W HA 0.418 5.077 4.660 -0.002 0.000 0.359 340 W C -0.278 176.338 176.519 0.161 0.000 1.122 340 W CA -0.912 56.575 57.345 0.237 0.000 1.009 340 W CB 1.105 30.781 29.460 0.360 0.000 1.586 340 W HN 0.346 nan 8.180 nan 0.000 0.610 341 K N 2.126 122.359 120.400 -0.279 0.000 2.485 341 K HA -0.024 4.295 4.320 -0.001 0.000 0.277 341 K C -0.079 176.500 176.600 -0.034 0.000 0.990 341 K CA 0.667 56.795 56.287 -0.266 0.000 0.994 341 K CB 0.145 32.383 32.500 -0.437 0.000 0.906 341 K HN 0.276 nan 8.250 nan 0.000 0.488 342 K N 1.026 121.407 120.400 -0.033 0.000 3.156 342 K HA -0.275 4.045 4.320 -0.001 0.000 0.266 342 K C 0.632 177.274 176.600 0.071 0.000 0.966 342 K CA 0.433 56.731 56.287 0.019 0.000 0.719 342 K CB -2.002 30.508 32.500 0.018 0.000 1.333 342 K HN 1.170 nan 8.250 nan 0.000 0.468 343 G N -0.471 108.376 108.800 0.078 0.000 2.189 343 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.267 343 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.267 343 G C 0.207 175.161 174.900 0.090 0.000 0.975 343 G CA 0.648 45.805 45.100 0.094 0.000 0.644 343 G HN 0.924 nan 8.290 nan 0.000 0.537 344 S N -1.244 114.524 115.700 0.113 0.000 2.632 344 S HA 0.746 5.215 4.470 -0.001 0.000 0.267 344 S C -0.114 174.591 174.600 0.176 0.000 1.276 344 S CA -0.094 58.148 58.200 0.071 0.000 0.998 344 S CB 2.628 65.875 63.200 0.078 0.000 0.953 344 S HN 1.112 nan 8.310 nan 0.000 0.547 345 V N 2.034 122.026 119.914 0.129 0.000 2.623 345 V HA 0.443 4.562 4.120 -0.001 0.000 0.304 345 V C -1.065 175.196 176.094 0.280 0.000 1.054 345 V CA -0.697 61.717 62.300 0.190 0.000 0.882 345 V CB 1.385 33.154 31.823 -0.090 0.000 1.002 345 V HN 0.891 nan 8.190 nan 0.000 0.424 346 F N 4.313 124.335 119.950 0.120 0.000 2.404 346 F HA 0.504 5.030 4.527 -0.002 0.000 0.345 346 F C 0.253 176.059 175.800 0.011 0.000 1.110 346 F CA 0.011 57.886 58.000 -0.207 0.000 1.130 346 F CB 1.278 39.957 39.000 -0.534 0.000 1.129 346 F HN 0.519 nan 8.300 nan 0.000 0.500 347 Q N 5.826 125.137 119.800 -0.815 0.000 2.394 347 Q HA 0.441 4.780 4.340 -0.001 0.000 0.259 347 Q C -0.503 174.966 176.000 -0.886 0.000 1.021 347 Q CA -0.263 55.254 55.803 -0.477 0.000 0.805 347 Q CB 1.636 30.308 28.738 -0.110 0.000 1.226 347 Q HN 0.940 nan 8.270 nan 0.000 0.476 348 A N 2.793 125.374 122.820 -0.399 0.000 2.218 348 A HA 0.495 4.814 4.320 -0.001 0.000 0.209 348 A C 0.769 178.307 177.584 -0.076 0.000 1.168 348 A CA 0.989 52.968 52.037 -0.097 0.000 0.804 348 A CB 0.228 19.546 19.000 0.529 0.000 0.834 348 A HN 0.849 nan 8.150 nan 0.000 0.482 349 G N -1.587 106.948 108.800 -0.441 0.000 2.344 349 G HA2 0.290 4.249 3.960 -0.001 0.000 0.282 349 G HA3 0.290 4.249 3.960 -0.001 0.000 0.282 349 G C -2.598 171.484 174.900 -1.364 0.000 1.281 349 G CA 0.170 44.557 45.100 -1.189 0.000 0.877 349 G HN -0.178 nan 8.290 nan 0.000 0.494 350 P HA 0.038 nan 4.420 nan 0.000 0.226 350 P C 1.201 178.049 177.300 -0.752 0.000 1.153 350 P CA 1.319 63.546 63.100 -1.454 0.000 0.777 350 P CB -0.159 31.172 31.700 -0.615 0.000 0.794 351 S N -0.853 114.535 115.700 -0.521 0.000 2.566 351 S HA 0.039 4.508 4.470 -0.001 0.000 0.280 351 S C 1.364 175.785 174.600 -0.297 0.000 1.343 351 S CA 0.030 58.044 58.200 -0.312 0.000 1.036 351 S CB -0.161 62.907 63.200 -0.221 0.000 0.866 351 S HN 0.003 nan 8.310 nan 0.000 0.526 352 T N 1.997 116.436 114.554 -0.192 0.000 2.720 352 T HA -0.008 4.341 4.350 -0.001 0.000 0.268 352 T C 1.033 175.645 174.700 -0.148 0.000 1.037 352 T CA 1.479 63.489 62.100 -0.150 0.000 1.144 352 T CB -0.683 68.129 68.868 -0.092 0.000 0.864 352 T HN 0.994 nan 8.240 nan 0.000 0.444 353 A N 1.823 124.560 122.820 -0.138 0.000 2.450 353 A HA 0.557 4.876 4.320 -0.001 0.000 0.255 353 A C 0.140 177.613 177.584 -0.185 0.000 1.096 353 A CA -0.146 51.816 52.037 -0.125 0.000 0.778 353 A CB -0.116 18.828 19.000 -0.093 0.000 1.031 353 A HN 0.410 nan 8.150 nan 0.000 0.494 354 M N 2.834 122.321 119.600 -0.189 0.000 2.423 354 M HA 0.393 4.872 4.480 -0.001 0.000 0.335 354 M C -0.300 175.794 176.300 -0.342 0.000 1.177 354 M CA -0.334 54.770 55.300 -0.327 0.000 1.038 354 M CB 1.468 33.911 32.600 -0.262 0.000 1.641 354 M HN 0.740 nan 8.290 nan 0.000 0.455 355 N N 0.766 119.142 118.700 -0.540 0.000 2.416 355 N HA 0.426 5.165 4.740 -0.001 0.000 0.276 355 N C -2.106 173.043 175.510 -0.601 0.000 1.261 355 N CA -0.533 52.243 53.050 -0.456 0.000 0.790 355 N CB 1.999 40.230 38.487 -0.426 0.000 1.554 355 N HN 0.594 nan 8.380 nan 0.000 0.481 356 W N 0.886 122.009 121.300 -0.296 0.000 2.433 356 W HA 0.440 5.099 4.660 -0.002 0.000 0.315 356 W C -0.550 175.615 176.519 -0.590 0.000 1.087 356 W CA -0.463 56.708 57.345 -0.291 0.000 1.205 356 W CB 0.770 30.131 29.460 -0.165 0.000 1.288 356 W HN 0.362 nan 8.180 nan 0.000 0.504 357 Y N 2.246 122.484 120.300 -0.104 0.000 2.409 357 Y HA 0.441 4.991 4.550 -0.001 0.000 0.339 357 Y C -0.573 175.077 175.900 -0.416 0.000 1.033 357 Y CA -1.233 56.765 58.100 -0.169 0.000 1.094 357 Y CB 1.194 39.521 38.460 -0.222 0.000 1.210 357 Y HN 0.263 nan 8.280 nan 0.000 0.456 358 Y N -0.410 119.989 120.300 0.164 0.000 2.485 358 Y HA 0.378 4.927 4.550 -0.001 0.000 0.345 358 Y C 0.778 176.731 175.900 0.088 0.000 0.998 358 Y CA -0.958 57.201 58.100 0.098 0.000 1.059 358 Y CB 2.124 40.640 38.460 0.093 0.000 1.234 358 Y HN 0.593 nan 8.280 nan 0.000 0.461 359 T N -3.261 111.419 114.554 0.211 0.000 3.132 359 T HA 0.181 4.530 4.350 -0.001 0.000 0.274 359 T C 0.090 174.892 174.700 0.170 0.000 1.011 359 T CA -0.311 61.901 62.100 0.186 0.000 0.899 359 T CB -0.447 68.508 68.868 0.144 0.000 1.089 359 T HN 0.476 nan 8.240 nan 0.000 0.543 360 S N 0.427 116.225 115.700 0.165 0.000 2.610 360 S HA 0.708 5.178 4.470 -0.001 0.000 0.273 360 S C 1.147 175.811 174.600 0.107 0.000 1.274 360 S CA -0.091 58.177 58.200 0.114 0.000 1.023 360 S CB 0.730 63.983 63.200 0.087 0.000 0.962 360 S HN 1.198 nan 8.310 nan 0.000 0.523 361 G N 1.875 110.724 108.800 0.082 0.000 2.582 361 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.288 361 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.288 361 G C 0.566 175.525 174.900 0.099 0.000 1.247 361 G CA 0.117 45.263 45.100 0.076 0.000 0.972 361 G HN 1.351 nan 8.290 nan 0.000 0.557 362 S N 1.898 117.656 115.700 0.098 0.000 2.710 362 S HA 0.482 4.951 4.470 -0.001 0.000 0.224 362 S C 1.045 175.737 174.600 0.154 0.000 0.948 362 S CA 1.482 59.751 58.200 0.115 0.000 0.949 362 S CB -0.629 62.626 63.200 0.093 0.000 0.778 362 S HN 2.393 nan 8.310 nan 0.000 0.498 363 G N 1.114 110.019 108.800 0.175 0.000 2.707 363 G HA2 0.082 4.041 3.960 -0.001 0.000 0.686 363 G HA3 0.082 4.041 3.960 -0.001 0.000 0.686 363 G C -1.381 173.657 174.900 0.230 0.000 1.315 363 G CA -0.547 44.697 45.100 0.240 0.000 0.832 363 G HN 0.320 nan 8.290 nan 0.000 0.573 364 D N -2.063 118.528 120.400 0.318 0.000 2.671 364 D HA 0.691 5.330 4.640 -0.001 0.000 0.273 364 D C -1.261 175.285 176.300 0.410 0.000 1.264 364 D CA 0.547 54.718 54.000 0.284 0.000 0.788 364 D CB 2.089 42.967 40.800 0.129 0.000 1.324 364 D HN 1.354 nan 8.370 nan 0.000 0.424 365 V N 1.095 121.173 119.914 0.273 0.000 2.851 365 V HA 0.684 4.804 4.120 -0.001 0.000 0.307 365 V C -1.692 174.481 176.094 0.133 0.000 1.129 365 V CA -0.410 61.950 62.300 0.100 0.000 0.932 365 V CB 1.809 33.601 31.823 -0.053 0.000 1.024 365 V HN 0.557 nan 8.190 nan 0.000 0.426 366 K N 3.402 123.905 120.400 0.171 0.000 2.468 366 K HA 0.521 4.840 4.320 -0.001 0.000 0.252 366 K C -0.753 175.948 176.600 0.168 0.000 0.932 366 K CA -0.520 55.890 56.287 0.205 0.000 0.794 366 K CB 2.128 34.828 32.500 0.332 0.000 1.241 366 K HN 0.714 nan 8.250 nan 0.000 0.428 367 S N 0.902 116.671 115.700 0.114 0.000 2.560 367 S HA 0.209 4.678 4.470 -0.001 0.000 0.284 367 S C 0.472 175.175 174.600 0.172 0.000 1.327 367 S CA -0.035 58.213 58.200 0.080 0.000 1.055 367 S CB 0.557 63.790 63.200 0.054 0.000 0.868 367 S HN 0.701 nan 8.310 nan 0.000 0.506 368 A N 3.710 126.587 122.820 0.096 0.000 2.564 368 A HA 0.653 4.972 4.320 -0.001 0.000 0.279 368 A C 1.005 178.651 177.584 0.104 0.000 1.232 368 A CA 0.301 52.436 52.037 0.164 0.000 0.950 368 A CB -0.889 18.126 19.000 0.025 0.000 1.138 368 A HN 1.968 nan 8.150 nan 0.000 0.526 369 G N 0.083 108.919 108.800 0.059 0.000 2.728 369 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.294 369 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.294 369 G C -0.584 174.317 174.900 0.001 0.000 1.342 369 G CA -0.427 44.696 45.100 0.039 0.000 0.866 369 G HN 0.493 nan 8.290 nan 0.000 0.534 370 K N -0.139 120.260 120.400 -0.001 0.000 2.138 370 K HA 0.498 4.817 4.320 -0.001 0.000 0.263 370 K C 0.602 177.182 176.600 -0.033 0.000 0.965 370 K CA -0.838 55.431 56.287 -0.029 0.000 0.868 370 K CB 1.883 34.368 32.500 -0.024 0.000 1.083 370 K HN 0.619 nan 8.250 nan 0.000 0.443 371 R N 3.142 123.595 120.500 -0.078 0.000 2.370 371 R HA -0.019 4.320 4.340 -0.001 0.000 0.309 371 R C -0.394 175.811 176.300 -0.157 0.000 1.059 371 R CA 0.592 56.612 56.100 -0.133 0.000 0.981 371 R CB 0.313 30.500 30.300 -0.189 0.000 0.972 371 R HN 0.792 nan 8.270 nan 0.000 0.437 372 Q N 1.656 121.405 119.800 -0.085 0.000 2.832 372 Q HA 0.488 4.828 4.340 -0.001 0.000 0.322 372 Q C -1.674 174.477 176.000 0.252 0.000 0.842 372 Q CA -1.051 54.792 55.803 0.068 0.000 0.780 372 Q CB 1.520 30.292 28.738 0.058 0.000 1.411 372 Q HN 0.640 nan 8.270 nan 0.000 0.490 373 S N -0.909 114.943 115.700 0.254 0.000 2.703 373 S HA 0.295 4.764 4.470 -0.001 0.000 0.273 373 S C -0.333 174.333 174.600 0.111 0.000 1.178 373 S CA -0.079 58.260 58.200 0.233 0.000 0.838 373 S CB 0.248 63.660 63.200 0.354 0.000 1.178 373 S HN 0.865 nan 8.310 nan 0.000 0.494 374 N N 0.582 119.322 118.700 0.067 0.000 2.573 374 N HA -0.037 4.702 4.740 -0.001 0.000 0.187 374 N C 1.104 176.594 175.510 -0.034 0.000 1.107 374 N CA 0.639 53.698 53.050 0.015 0.000 0.918 374 N CB -0.510 37.981 38.487 0.007 0.000 0.966 374 N HN 0.574 nan 8.380 nan 0.000 0.448 375 R N -0.593 119.860 120.500 -0.077 0.000 2.297 375 R HA 0.286 4.625 4.340 -0.001 0.000 0.197 375 R C 0.504 176.760 176.300 -0.073 0.000 0.943 375 R CA 0.487 56.490 56.100 -0.161 0.000 1.038 375 R CB 0.125 30.169 30.300 -0.426 0.000 0.957 375 R HN 0.364 nan 8.270 nan 0.000 0.484 376 G N -0.027 108.776 108.800 0.004 0.000 2.343 376 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.562 376 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.562 376 G C -1.056 173.891 174.900 0.078 0.000 1.269 376 G CA -0.997 44.120 45.100 0.028 0.000 1.011 376 G HN -0.070 nan 8.290 nan 0.000 0.498 377 V N 1.156 121.102 119.914 0.053 0.000 2.555 377 V HA 0.541 4.660 4.120 -0.001 0.000 0.286 377 V C 1.314 177.449 176.094 0.067 0.000 1.044 377 V CA 0.328 62.656 62.300 0.047 0.000 1.026 377 V CB 0.985 32.817 31.823 0.016 0.000 0.981 377 V HN 1.878 nan 8.190 nan 0.000 0.480 378 A N 8.663 131.511 122.820 0.047 0.000 2.450 378 A HA 0.555 4.874 4.320 -0.001 0.000 0.255 378 A C -1.829 175.770 177.584 0.025 0.000 1.096 378 A CA -1.092 50.987 52.037 0.070 0.000 0.778 378 A CB -0.122 18.812 19.000 -0.109 0.000 1.031 378 A HN 0.687 nan 8.150 nan 0.000 0.494 379 P HA 0.131 nan 4.420 nan 0.000 0.274 379 P C -0.780 176.511 177.300 -0.014 0.000 1.246 379 P CA -0.491 62.617 63.100 0.013 0.000 0.795 379 P CB 0.536 32.252 31.700 0.026 0.000 1.006 380 D N 0.229 120.601 120.400 -0.046 0.000 2.525 380 D HA 0.160 4.799 4.640 -0.001 0.000 0.235 380 D C 0.314 176.586 176.300 -0.046 0.000 1.137 380 D CA 0.817 54.766 54.000 -0.086 0.000 0.868 380 D CB 0.094 40.846 40.800 -0.081 0.000 1.180 380 D HN 0.341 nan 8.370 nan 0.000 0.465 381 A N 3.106 125.891 122.820 -0.059 0.000 3.248 381 A HA 0.221 4.541 4.320 -0.001 0.000 0.315 381 A C 0.106 177.750 177.584 0.100 0.000 0.974 381 A CA -0.695 51.386 52.037 0.073 0.000 0.939 381 A CB 0.061 19.222 19.000 0.269 0.000 1.061 381 A HN 0.422 nan 8.150 nan 0.000 0.481 382 M N 0.599 120.195 119.600 -0.008 0.000 2.260 382 M HA 0.201 4.680 4.480 -0.001 0.000 0.348 382 M C 0.758 177.035 176.300 -0.038 0.000 1.342 382 M CA 0.789 56.080 55.300 -0.016 0.000 1.040 382 M CB -0.989 31.572 32.600 -0.064 0.000 1.810 382 M HN 0.876 nan 8.290 nan 0.000 0.453 383 C N 3.440 122.771 119.300 0.052 0.000 4.417 383 C HA -0.118 4.341 4.460 -0.001 0.000 0.284 383 C C 1.037 176.000 174.990 -0.046 0.000 1.379 383 C CA 0.436 59.436 59.018 -0.029 0.000 1.918 383 C CB -2.805 24.816 27.740 -0.199 0.000 1.280 383 C HN 1.175 nan 8.230 nan 0.000 0.783 384 G N 0.266 109.148 108.800 0.136 0.000 2.580 384 G HA2 0.554 4.513 3.960 -0.001 0.000 0.278 384 G HA3 0.554 4.513 3.960 -0.001 0.000 0.278 384 G C -0.311 174.297 174.900 -0.486 0.000 1.212 384 G CA -0.031 45.075 45.100 0.010 0.000 0.939 384 G HN 0.423 nan 8.290 nan 0.000 0.513 385 N N -1.004 117.133 118.700 -0.939 0.000 2.404 385 N HA 0.702 5.441 4.740 -0.001 0.000 0.297 385 N C -0.553 174.065 175.510 -1.488 0.000 1.163 385 N CA -0.250 52.093 53.050 -1.178 0.000 0.864 385 N CB 2.036 39.869 38.487 -1.090 0.000 1.247 385 N HN 0.728 nan 8.380 nan 0.000 0.510 386 A N 0.351 122.589 122.820 -0.969 0.000 2.408 386 A HA 0.668 4.987 4.320 -0.001 0.000 0.295 386 A C -1.418 176.198 177.584 0.053 0.000 1.040 386 A CA -0.525 51.213 52.037 -0.499 0.000 0.707 386 A CB 0.852 19.651 19.000 -0.334 0.000 1.235 386 A HN 0.345 nan 8.150 nan 0.000 0.418 387 V N 3.181 123.213 119.914 0.197 0.000 2.577 387 V HA 0.433 4.552 4.120 -0.001 0.000 0.303 387 V C -0.071 176.166 176.094 0.238 0.000 1.042 387 V CA -0.297 62.190 62.300 0.312 0.000 0.872 387 V CB 1.851 33.879 31.823 0.341 0.000 0.998 387 V HN 0.982 nan 8.190 nan 0.000 0.423 388 M N 5.804 125.522 119.600 0.197 0.000 2.435 388 M HA 0.265 4.744 4.480 -0.001 0.000 0.344 388 M C 0.515 176.864 176.300 0.083 0.000 1.329 388 M CA -0.450 54.819 55.300 -0.051 0.000 1.320 388 M CB 0.061 32.604 32.600 -0.096 0.000 1.309 388 M HN 0.863 nan 8.290 nan 0.000 0.451 389 Y N 0.753 121.098 120.300 0.076 0.000 2.544 389 Y HA 0.324 4.873 4.550 -0.001 0.000 0.286 389 Y C -0.039 175.920 175.900 0.099 0.000 1.141 389 Y CA -0.225 57.937 58.100 0.103 0.000 1.299 389 Y CB 0.197 38.723 38.460 0.111 0.000 1.030 389 Y HN 0.486 nan 8.280 nan 0.000 0.543 390 D N 0.599 120.827 120.400 -0.287 0.000 2.381 390 D HA 0.336 4.976 4.640 -0.001 0.000 0.245 390 D C 0.591 176.847 176.300 -0.073 0.000 1.297 390 D CA 0.097 54.025 54.000 -0.120 0.000 0.931 390 D CB 1.272 41.979 40.800 -0.155 0.000 1.334 390 D HN 0.212 nan 8.370 nan 0.000 0.535 391 A N 2.171 125.041 122.820 0.083 0.000 1.969 391 A HA -0.060 4.259 4.320 -0.001 0.000 0.218 391 A C 2.074 179.799 177.584 0.235 0.000 1.169 391 A CA 1.235 53.401 52.037 0.215 0.000 0.635 391 A CB -0.107 19.090 19.000 0.328 0.000 0.810 391 A HN 0.422 nan 8.150 nan 0.000 0.445 392 V N 0.025 120.016 119.914 0.128 0.000 2.343 392 V HA -0.223 3.896 4.120 -0.001 0.000 0.247 392 V C 2.079 178.235 176.094 0.103 0.000 1.051 392 V CA 2.256 64.612 62.300 0.092 0.000 1.036 392 V CB -0.525 31.327 31.823 0.048 0.000 0.654 392 V HN 0.539 nan 8.190 nan 0.000 0.451 393 K N -0.321 120.119 120.400 0.068 0.000 2.374 393 K HA 0.290 4.610 4.320 -0.001 0.000 0.196 393 K C 1.278 177.895 176.600 0.028 0.000 1.023 393 K CA 0.594 56.908 56.287 0.045 0.000 1.103 393 K CB 0.459 32.964 32.500 0.008 0.000 0.848 393 K HN 0.524 nan 8.250 nan 0.000 0.528 394 G N 2.667 111.509 108.800 0.069 0.000 2.198 394 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.260 394 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.260 394 G C -0.361 174.355 174.900 -0.306 0.000 1.025 394 G CA 0.101 45.150 45.100 -0.085 0.000 0.769 394 G HN 0.087 nan 8.290 nan 0.000 0.507 395 K N 0.142 120.332 120.400 -0.349 0.000 2.312 395 K HA 0.544 4.863 4.320 -0.001 0.000 0.287 395 K C 0.481 176.714 176.600 -0.611 0.000 1.062 395 K CA -0.164 55.812 56.287 -0.519 0.000 0.934 395 K CB 1.204 33.213 32.500 -0.818 0.000 1.027 395 K HN 0.391 nan 8.250 nan 0.000 0.478 396 I N 3.777 124.126 120.570 -0.367 0.000 2.466 396 I HA 0.219 4.388 4.170 -0.001 0.000 0.289 396 I C -0.686 175.460 176.117 0.047 0.000 1.026 396 I CA -1.224 59.930 61.300 -0.244 0.000 1.078 396 I CB 1.727 39.489 38.000 -0.396 0.000 1.249 396 I HN 0.260 nan 8.210 nan 0.000 0.429 397 L N 7.216 128.573 121.223 0.223 0.000 2.282 397 L HA 0.636 4.976 4.340 -0.001 0.000 0.288 397 L C 0.068 177.045 176.870 0.178 0.000 1.033 397 L CA 0.319 55.295 54.840 0.226 0.000 0.807 397 L CB 1.483 43.668 42.059 0.210 0.000 1.209 397 L HN 0.729 nan 8.230 nan 0.000 0.423 398 T N 1.822 116.443 114.554 0.112 0.000 2.887 398 T HA 0.875 5.224 4.350 -0.001 0.000 0.288 398 T C -0.673 174.045 174.700 0.031 0.000 1.021 398 T CA -0.555 61.434 62.100 -0.184 0.000 1.000 398 T CB 1.433 70.229 68.868 -0.120 0.000 1.034 398 T HN 0.575 nan 8.240 nan 0.000 0.467 399 F N -1.562 118.300 119.950 -0.146 0.000 2.708 399 F HA 0.731 5.257 4.527 -0.001 0.000 0.309 399 F C 0.291 176.111 175.800 0.032 0.000 1.120 399 F CA -0.335 57.628 58.000 -0.062 0.000 0.978 399 F CB 0.641 39.593 39.000 -0.080 0.000 1.283 399 F HN 1.247 nan 8.300 nan 0.000 0.439 400 G N 0.536 109.412 108.800 0.126 0.000 2.593 400 G HA2 0.477 4.437 3.960 -0.001 0.000 0.237 400 G HA3 0.477 4.437 3.960 -0.001 0.000 0.237 400 G C 0.365 175.334 174.900 0.116 0.000 1.312 400 G CA 0.547 45.673 45.100 0.044 0.000 0.896 400 G HN 3.260 nan 8.290 nan 0.000 0.574 401 G N -2.501 106.370 108.800 0.118 0.000 2.756 401 G HA2 0.484 4.443 3.960 -0.001 0.000 0.678 401 G HA3 0.484 4.443 3.960 -0.001 0.000 0.678 401 G C 0.068 174.950 174.900 -0.031 0.000 1.349 401 G CA 0.814 45.944 45.100 0.049 0.000 0.847 401 G HN 2.909 nan 8.290 nan 0.000 0.548 402 S N -0.315 115.337 115.700 -0.080 0.000 2.595 402 S HA 0.860 5.329 4.470 -0.001 0.000 0.281 402 S C -1.314 173.252 174.600 -0.057 0.000 1.117 402 S CA -0.438 57.713 58.200 -0.082 0.000 0.873 402 S CB 3.150 66.266 63.200 -0.140 0.000 1.108 402 S HN 0.713 nan 8.310 nan 0.000 0.477 403 P HA 0.015 nan 4.420 nan 0.000 0.217 403 P C -0.430 176.854 177.300 -0.027 0.000 1.150 403 P CA 1.288 64.369 63.100 -0.031 0.000 0.832 403 P CB -0.165 31.521 31.700 -0.024 0.000 0.787 404 D N -2.065 118.322 120.400 -0.023 0.000 2.340 404 D HA 0.088 4.727 4.640 -0.001 0.000 0.240 404 D C 0.700 177.018 176.300 0.031 0.000 1.001 404 D CA -0.774 53.234 54.000 0.014 0.000 0.888 404 D CB 1.256 42.067 40.800 0.018 0.000 1.310 404 D HN -0.125 nan 8.370 nan 0.000 0.474 405 Y N 1.065 121.349 120.300 -0.026 0.000 2.128 405 Y HA -0.214 4.335 4.550 -0.001 0.000 0.284 405 Y C 1.066 176.979 175.900 0.021 0.000 1.154 405 Y CA 1.694 59.801 58.100 0.011 0.000 1.149 405 Y CB 0.392 38.851 38.460 -0.002 0.000 0.976 405 Y HN 0.417 nan 8.280 nan 0.000 0.505 406 Q N -1.424 118.525 119.800 0.247 0.000 2.484 406 Q HA 0.275 4.614 4.340 -0.001 0.000 0.285 406 Q C -0.873 175.164 176.000 0.062 0.000 1.097 406 Q CA -0.460 55.440 55.803 0.162 0.000 0.802 406 Q CB 2.013 30.853 28.738 0.171 0.000 1.444 406 Q HN 0.206 nan 8.270 nan 0.000 0.429 407 D N 0.408 120.831 120.400 0.038 0.000 2.723 407 D HA -0.155 4.484 4.640 -0.001 0.000 0.236 407 D C -0.997 175.299 176.300 -0.006 0.000 1.138 407 D CA 1.726 55.734 54.000 0.012 0.000 0.676 407 D CB -1.332 39.476 40.800 0.013 0.000 1.069 407 D HN 0.711 nan 8.370 nan 0.000 0.430 408 S N -1.107 114.577 115.700 -0.026 0.000 2.564 408 S HA 0.507 4.976 4.470 -0.001 0.000 0.274 408 S C -0.924 173.641 174.600 -0.059 0.000 1.124 408 S CA -1.100 57.078 58.200 -0.037 0.000 0.869 408 S CB 3.004 66.182 63.200 -0.035 0.000 1.105 408 S HN -0.094 nan 8.310 nan 0.000 0.472 409 D N 1.715 122.086 120.400 -0.049 0.000 2.308 409 D HA 0.533 5.172 4.640 -0.001 0.000 0.251 409 D C 0.578 176.839 176.300 -0.066 0.000 1.127 409 D CA 0.104 54.071 54.000 -0.055 0.000 0.876 409 D CB 1.508 42.286 40.800 -0.037 0.000 1.176 409 D HN 0.824 nan 8.370 nan 0.000 0.446 410 A N 2.157 124.926 122.820 -0.084 0.000 2.296 410 A HA 0.548 4.867 4.320 -0.001 0.000 0.264 410 A C 0.674 178.225 177.584 -0.055 0.000 1.097 410 A CA -0.277 51.707 52.037 -0.088 0.000 0.811 410 A CB 0.505 19.431 19.000 -0.123 0.000 1.072 410 A HN 0.607 nan 8.150 nan 0.000 0.495 411 T N -3.391 111.138 114.554 -0.041 0.000 2.888 411 T HA 0.546 4.895 4.350 -0.001 0.000 0.288 411 T C 0.569 175.245 174.700 -0.039 0.000 1.063 411 T CA 0.260 62.348 62.100 -0.021 0.000 1.010 411 T CB 1.092 69.973 68.868 0.022 0.000 1.214 411 T HN 1.067 nan 8.240 nan 0.000 0.533 412 T N -1.375 113.159 114.554 -0.034 0.000 3.122 412 T HA 0.225 4.574 4.350 -0.001 0.000 0.250 412 T C 0.582 175.246 174.700 -0.060 0.000 1.067 412 T CA -0.533 61.513 62.100 -0.090 0.000 0.966 412 T CB -0.648 68.150 68.868 -0.118 0.000 1.002 412 T HN 0.571 nan 8.240 nan 0.000 0.542 413 N N 2.578 121.307 118.700 0.048 0.000 2.357 413 N HA 0.336 5.075 4.740 -0.001 0.000 0.257 413 N C -0.523 174.902 175.510 -0.141 0.000 1.250 413 N CA 0.618 53.716 53.050 0.080 0.000 0.862 413 N CB 0.580 39.215 38.487 0.247 0.000 1.066 413 N HN 0.663 nan 8.380 nan 0.000 0.468 414 A N 2.877 125.310 122.820 -0.645 0.000 2.517 414 A HA 0.570 4.889 4.320 -0.001 0.000 0.297 414 A C -1.495 175.568 177.584 -0.869 0.000 1.050 414 A CA -0.659 51.098 52.037 -0.467 0.000 0.694 414 A CB 1.114 19.914 19.000 -0.333 0.000 1.277 414 A HN 0.806 nan 8.150 nan 0.000 0.400 415 H N 0.553 119.489 119.070 -0.224 0.000 2.946 415 H HA 0.699 5.254 4.556 -0.001 0.000 0.365 415 H C -0.857 174.440 175.328 -0.053 0.000 1.197 415 H CA -0.722 55.249 56.048 -0.128 0.000 1.131 415 H CB 1.607 31.377 29.762 0.015 0.000 1.849 415 H HN 0.480 nan 8.280 nan 0.000 0.555 416 I N 2.769 123.413 120.570 0.124 0.000 2.382 416 I HA 0.291 4.460 4.170 -0.001 0.000 0.286 416 I C -0.381 175.795 176.117 0.099 0.000 1.002 416 I CA -0.291 61.073 61.300 0.107 0.000 1.135 416 I CB 0.790 38.861 38.000 0.118 0.000 1.288 416 I HN 0.449 nan 8.210 nan 0.000 0.448 417 I N 5.323 125.918 120.570 0.041 0.000 2.377 417 I HA 0.306 4.475 4.170 -0.001 0.000 0.293 417 I C 0.145 176.187 176.117 -0.125 0.000 0.987 417 I CA -0.292 60.993 61.300 -0.026 0.000 1.185 417 I CB 1.826 39.804 38.000 -0.036 0.000 1.341 417 I HN 0.443 nan 8.210 nan 0.000 0.455 418 T N 7.170 121.655 114.554 -0.115 0.000 2.874 418 T HA 0.442 4.791 4.350 -0.001 0.000 0.321 418 T C 0.012 174.600 174.700 -0.187 0.000 1.075 418 T CA -0.479 61.541 62.100 -0.134 0.000 0.966 418 T CB 0.260 69.102 68.868 -0.043 0.000 1.001 418 T HN 0.272 nan 8.240 nan 0.000 0.476 419 L N 2.842 123.868 121.223 -0.328 0.000 2.380 419 L HA 0.538 4.877 4.340 -0.001 0.000 0.273 419 L C 1.204 178.064 176.870 -0.015 0.000 1.138 419 L CA -0.124 54.491 54.840 -0.375 0.000 0.832 419 L CB 0.634 42.151 42.059 -0.903 0.000 1.124 419 L HN 0.730 nan 8.230 nan 0.000 0.454 420 G N 2.290 111.166 108.800 0.126 0.000 3.247 420 G HA2 0.309 4.268 3.960 -0.001 0.000 0.163 420 G HA3 0.309 4.268 3.960 -0.001 0.000 0.163 420 G C -0.512 174.595 174.900 0.344 0.000 1.206 420 G CA -0.379 44.850 45.100 0.215 0.000 0.918 420 G HN 0.446 nan 8.290 nan 0.000 0.625 421 E N 1.101 121.403 120.200 0.169 0.000 2.373 421 E HA 0.293 4.642 4.350 -0.001 0.000 0.263 421 E C -2.212 174.242 176.600 -0.244 0.000 1.073 421 E CA -1.726 54.706 56.400 0.053 0.000 0.894 421 E CB 0.842 30.532 29.700 -0.016 0.000 1.008 421 E HN 0.015 nan 8.360 nan 0.000 0.420 422 P HA 0.010 nan 4.420 nan 0.000 0.265 422 P C 0.705 177.441 177.300 -0.941 0.000 1.187 422 P CA 1.134 63.434 63.100 -1.333 0.000 0.766 422 P CB 0.434 31.803 31.700 -0.551 0.000 0.820 423 G N 1.208 109.146 108.800 -1.437 0.000 2.241 423 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.244 423 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.244 423 G C 0.318 175.182 174.900 -0.059 0.000 0.998 423 G CA 0.322 45.185 45.100 -0.396 0.000 0.621 423 G HN 0.821 nan 8.290 nan 0.000 0.519 424 T N -0.874 113.680 114.554 -0.001 0.000 2.928 424 T HA 0.671 5.021 4.350 -0.001 0.000 0.284 424 T C 0.203 175.153 174.700 0.418 0.000 1.008 424 T CA 0.341 62.557 62.100 0.193 0.000 1.057 424 T CB 1.970 70.910 68.868 0.121 0.000 1.018 424 T HN 0.445 nan 8.240 nan 0.000 0.493 425 S N 4.181 120.040 115.700 0.266 0.000 2.416 425 S HA 0.373 4.843 4.470 -0.001 0.000 0.287 425 S C -1.829 172.865 174.600 0.157 0.000 1.139 425 S CA -0.897 57.441 58.200 0.230 0.000 1.058 425 S CB 0.048 63.339 63.200 0.152 0.000 0.967 425 S HN 0.709 nan 8.310 nan 0.000 0.495 426 P HA 0.076 nan 4.420 nan 0.000 0.271 426 P C -0.444 176.878 177.300 0.037 0.000 1.218 426 P CA -0.560 62.559 63.100 0.031 0.000 0.780 426 P CB 0.522 32.150 31.700 -0.120 0.000 0.901 427 N N 1.554 120.272 118.700 0.029 0.000 2.530 427 N HA 0.123 4.862 4.740 -0.001 0.000 0.273 427 N C -0.717 174.822 175.510 0.048 0.000 1.173 427 N CA 0.170 53.247 53.050 0.045 0.000 0.967 427 N CB 0.575 39.089 38.487 0.046 0.000 1.109 427 N HN 0.488 nan 8.380 nan 0.000 0.453 428 T N -0.265 114.335 114.554 0.078 0.000 2.886 428 T HA 0.604 4.953 4.350 -0.001 0.000 0.292 428 T C -0.046 174.753 174.700 0.166 0.000 1.012 428 T CA -0.793 61.376 62.100 0.114 0.000 0.982 428 T CB 1.055 69.987 68.868 0.108 0.000 1.018 428 T HN 0.365 nan 8.240 nan 0.000 0.451 429 V N 0.087 120.121 119.914 0.201 0.000 3.160 429 V HA 0.850 4.969 4.120 -0.001 0.000 0.310 429 V C -0.868 175.378 176.094 0.252 0.000 1.181 429 V CA -1.483 60.948 62.300 0.218 0.000 1.047 429 V CB 1.593 33.506 31.823 0.151 0.000 1.068 429 V HN 0.868 nan 8.190 nan 0.000 0.441 430 F N 1.674 121.638 119.950 0.022 0.000 2.399 430 F HA 0.744 5.270 4.527 -0.001 0.000 0.342 430 F C 0.809 176.575 175.800 -0.057 0.000 1.106 430 F CA 0.118 58.034 58.000 -0.140 0.000 1.196 430 F CB 1.201 40.116 39.000 -0.142 0.000 1.163 430 F HN 0.917 nan 8.300 nan 0.000 0.547 431 A N 4.656 127.236 122.820 -0.400 0.000 2.310 431 A HA 0.492 4.811 4.320 -0.001 0.000 0.300 431 A C 0.697 178.326 177.584 0.075 0.000 1.269 431 A CA 0.540 52.475 52.037 -0.169 0.000 0.909 431 A CB 0.102 18.882 19.000 -0.366 0.000 1.144 431 A HN 1.133 nan 8.150 nan 0.000 0.540 432 S N 1.819 117.631 115.700 0.187 0.000 4.050 432 S HA -0.326 4.143 4.470 -0.001 0.000 0.602 432 S C 1.189 175.939 174.600 0.250 0.000 2.030 432 S CA 1.680 60.006 58.200 0.209 0.000 4.208 432 S CB -1.144 62.221 63.200 0.274 0.000 0.290 432 S HN 1.101 nan 8.310 nan 0.000 0.615 433 N N 1.502 120.310 118.700 0.179 0.000 2.275 433 N HA 0.382 5.122 4.740 -0.001 0.000 0.236 433 N C 0.364 175.958 175.510 0.140 0.000 1.154 433 N CA 0.836 53.974 53.050 0.146 0.000 0.866 433 N CB 0.129 38.597 38.487 -0.032 0.000 1.093 433 N HN 1.170 nan 8.380 nan 0.000 0.515 434 G N 0.969 109.804 108.800 0.059 0.000 2.757 434 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.638 434 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.638 434 G C -0.533 173.945 174.900 -0.703 0.000 1.344 434 G CA -0.694 44.246 45.100 -0.266 0.000 0.855 434 G HN 0.185 nan 8.290 nan 0.000 0.537 435 L N -0.190 120.575 121.223 -0.763 0.000 2.483 435 L HA 0.219 4.558 4.340 -0.001 0.000 0.275 435 L C 1.676 178.189 176.870 -0.594 0.000 1.220 435 L CA -0.356 53.978 54.840 -0.844 0.000 0.833 435 L CB 0.287 42.038 42.059 -0.513 0.000 1.102 435 L HN 0.647 nan 8.230 nan 0.000 0.490 436 Y N 0.815 120.770 120.300 -0.576 0.000 2.263 436 Y HA -0.027 4.522 4.550 -0.001 0.000 0.292 436 Y C 0.409 175.764 175.900 -0.910 0.000 1.130 436 Y CA 1.185 58.854 58.100 -0.719 0.000 1.179 436 Y CB 0.130 38.090 38.460 -0.834 0.000 0.998 436 Y HN 0.242 nan 8.280 nan 0.000 0.532 437 F N -0.660 119.260 119.950 -0.050 0.000 2.507 437 F HA 0.592 5.118 4.527 -0.001 0.000 0.328 437 F C 0.149 175.853 175.800 -0.160 0.000 1.136 437 F CA -1.933 56.013 58.000 -0.089 0.000 0.930 437 F CB 0.677 39.629 39.000 -0.079 0.000 1.166 437 F HN -0.259 nan 8.300 nan 0.000 0.436 438 A N 4.884 127.713 122.820 0.016 0.000 2.511 438 A HA 0.641 4.961 4.320 -0.001 0.000 0.242 438 A C 0.181 177.706 177.584 -0.097 0.000 1.069 438 A CA -0.138 51.860 52.037 -0.065 0.000 0.763 438 A CB 0.148 19.120 19.000 -0.048 0.000 1.001 438 A HN 0.926 nan 8.150 nan 0.000 0.498 439 R N 0.212 120.595 120.500 -0.196 0.000 2.664 439 R HA 0.744 5.083 4.340 -0.001 0.000 0.266 439 R C -1.157 174.998 176.300 -0.241 0.000 1.046 439 R CA -0.547 55.408 56.100 -0.241 0.000 0.885 439 R CB 1.214 31.326 30.300 -0.314 0.000 1.254 439 R HN 0.586 nan 8.270 nan 0.000 0.465 440 T N 0.774 115.264 114.554 -0.106 0.000 2.903 440 T HA 0.570 4.920 4.350 -0.001 0.000 0.299 440 T C -0.764 173.921 174.700 -0.024 0.000 1.093 440 T CA -0.210 61.839 62.100 -0.084 0.000 1.002 440 T CB 0.610 69.192 68.868 -0.477 0.000 1.127 440 T HN 0.574 nan 8.240 nan 0.000 0.488 441 F N 1.563 121.563 119.950 0.084 0.000 2.794 441 F HA -0.168 4.358 4.527 -0.001 0.000 0.335 441 F C 0.801 176.574 175.800 -0.045 0.000 0.653 441 F CA 0.823 58.796 58.000 -0.044 0.000 1.266 441 F CB -2.813 36.178 39.000 -0.015 0.000 1.666 441 F HN 0.817 nan 8.300 nan 0.000 0.314 442 H N 0.010 119.109 119.070 0.047 0.000 2.597 442 H HA 0.700 5.256 4.556 -0.001 0.000 0.370 442 H C 0.655 175.992 175.328 0.016 0.000 1.281 442 H CA 0.468 56.524 56.048 0.013 0.000 1.422 442 H CB 0.693 30.460 29.762 0.009 0.000 1.524 442 H HN 0.218 nan 8.280 nan 0.000 0.607 443 T N -1.793 112.778 114.554 0.028 0.000 2.901 443 T HA 0.634 4.983 4.350 -0.001 0.000 0.293 443 T C -0.524 174.237 174.700 0.103 0.000 1.084 443 T CA -0.661 61.434 62.100 -0.008 0.000 1.008 443 T CB 1.644 70.526 68.868 0.024 0.000 1.170 443 T HN 0.956 nan 8.240 nan 0.000 0.509 444 S N -0.581 115.198 115.700 0.132 0.000 2.565 444 S HA 0.794 5.263 4.470 -0.001 0.000 0.269 444 S C -0.952 173.785 174.600 0.229 0.000 1.153 444 S CA -0.486 57.849 58.200 0.224 0.000 0.835 444 S CB 1.202 64.645 63.200 0.405 0.000 1.122 444 S HN 2.034 nan 8.310 nan 0.000 0.462 445 V N -1.526 118.553 119.914 0.275 0.000 3.012 445 V HA 0.900 5.019 4.120 -0.001 0.000 0.307 445 V C -0.419 175.813 176.094 0.230 0.000 1.166 445 V CA -0.880 61.560 62.300 0.235 0.000 0.974 445 V CB 1.196 33.151 31.823 0.220 0.000 1.040 445 V HN 1.262 nan 8.190 nan 0.000 0.428 446 V N 5.266 125.298 119.914 0.196 0.000 2.498 446 V HA 0.557 4.676 4.120 -0.001 0.000 0.279 446 V C -0.010 176.156 176.094 0.121 0.000 1.048 446 V CA -0.144 62.266 62.300 0.182 0.000 0.967 446 V CB 0.944 32.894 31.823 0.212 0.000 0.988 446 V HN 0.838 nan 8.190 nan 0.000 0.473 447 L N 7.386 128.666 121.223 0.095 0.000 2.416 447 L HA 0.456 4.795 4.340 -0.001 0.000 0.262 447 L C -1.414 175.381 176.870 -0.125 0.000 1.093 447 L CA -1.839 53.009 54.840 0.012 0.000 0.801 447 L CB 0.856 42.997 42.059 0.136 0.000 1.191 447 L HN 0.392 nan 8.230 nan 0.000 0.459 448 P HA -0.206 nan 4.420 nan 0.000 0.217 448 P C 0.460 177.592 177.300 -0.281 0.000 1.151 448 P CA 1.367 64.139 63.100 -0.547 0.000 0.849 448 P CB -0.010 31.049 31.700 -1.068 0.000 0.787 449 D N -2.504 117.738 120.400 -0.264 0.000 2.336 449 D HA 0.105 4.744 4.640 -0.001 0.000 0.229 449 D C 1.401 177.669 176.300 -0.054 0.000 1.061 449 D CA 0.607 54.512 54.000 -0.158 0.000 0.875 449 D CB -0.922 39.776 40.800 -0.171 0.000 0.904 449 D HN 0.259 nan 8.370 nan 0.000 0.525 450 G N 0.024 108.820 108.800 -0.006 0.000 2.195 450 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.246 450 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.246 450 G C 0.455 175.372 174.900 0.029 0.000 0.984 450 G CA 0.341 45.485 45.100 0.073 0.000 0.633 450 G HN 0.826 nan 8.290 nan 0.000 0.525 451 S N -0.202 115.497 115.700 -0.001 0.000 2.603 451 S HA 0.668 5.137 4.470 -0.001 0.000 0.268 451 S C -0.005 174.628 174.600 0.055 0.000 1.317 451 S CA 0.601 58.786 58.200 -0.025 0.000 1.012 451 S CB 1.932 65.135 63.200 0.004 0.000 0.926 451 S HN 0.592 nan 8.310 nan 0.000 0.539 452 T N 2.593 117.180 114.554 0.054 0.000 2.792 452 T HA 0.423 4.772 4.350 -0.001 0.000 0.280 452 T C -0.983 173.799 174.700 0.136 0.000 0.990 452 T CA -0.305 61.863 62.100 0.114 0.000 0.960 452 T CB 0.331 69.247 68.868 0.080 0.000 0.939 452 T HN 0.550 nan 8.240 nan 0.000 0.439 453 F N 4.880 124.847 119.950 0.028 0.000 2.411 453 F HA 0.655 5.181 4.527 -0.001 0.000 0.350 453 F C -0.749 175.059 175.800 0.012 0.000 1.114 453 F CA -1.249 56.743 58.000 -0.013 0.000 1.135 453 F CB 0.318 39.297 39.000 -0.035 0.000 1.120 453 F HN 0.426 nan 8.300 nan 0.000 0.495 454 I N 5.683 125.869 120.570 -0.640 0.000 2.436 454 I HA 0.397 4.566 4.170 -0.001 0.000 0.289 454 I C -0.289 175.455 176.117 -0.622 0.000 1.010 454 I CA -0.442 60.610 61.300 -0.414 0.000 1.098 454 I CB 2.060 39.882 38.000 -0.296 0.000 1.266 454 I HN 0.573 nan 8.210 nan 0.000 0.434 455 T N 3.502 117.851 114.554 -0.343 0.000 2.894 455 T HA 0.728 5.078 4.350 -0.001 0.000 0.309 455 T C -0.114 174.568 174.700 -0.029 0.000 1.208 455 T CA 0.572 62.531 62.100 -0.235 0.000 1.016 455 T CB 1.576 70.333 68.868 -0.185 0.000 1.192 455 T HN 1.156 nan 8.240 nan 0.000 0.491 456 G N 1.404 110.168 108.800 -0.060 0.000 2.593 456 G HA2 0.384 4.343 3.960 -0.001 0.000 0.237 456 G HA3 0.384 4.343 3.960 -0.001 0.000 0.237 456 G C 0.653 175.523 174.900 -0.050 0.000 1.312 456 G CA 0.344 45.396 45.100 -0.080 0.000 0.896 456 G HN 2.510 nan 8.290 nan 0.000 0.574 457 G N -1.840 106.948 108.800 -0.021 0.000 2.710 457 G HA2 0.537 4.496 3.960 -0.001 0.000 0.668 457 G HA3 0.537 4.496 3.960 -0.001 0.000 0.668 457 G C -0.341 174.514 174.900 -0.075 0.000 1.320 457 G CA 0.904 46.026 45.100 0.036 0.000 0.860 457 G HN 2.533 nan 8.290 nan 0.000 0.538 458 Q N -1.560 118.209 119.800 -0.050 0.000 2.501 458 Q HA 0.717 5.056 4.340 -0.001 0.000 0.288 458 Q C 0.878 176.817 176.000 -0.102 0.000 1.051 458 Q CA -1.013 54.734 55.803 -0.094 0.000 0.788 458 Q CB 1.578 30.297 28.738 -0.033 0.000 1.469 458 Q HN 0.567 nan 8.270 nan 0.000 0.416 459 R N -0.135 120.308 120.500 -0.096 0.000 2.115 459 R HA 0.038 4.377 4.340 -0.001 0.000 0.230 459 R C 0.577 176.829 176.300 -0.081 0.000 1.111 459 R CA 1.067 57.119 56.100 -0.080 0.000 0.976 459 R CB 0.119 30.386 30.300 -0.055 0.000 0.870 459 R HN 0.456 nan 8.270 nan 0.000 0.445 460 R N 0.494 120.952 120.500 -0.071 0.000 2.502 460 R HA 0.235 4.575 4.340 -0.001 0.000 0.300 460 R C -0.965 175.300 176.300 -0.058 0.000 0.984 460 R CA -0.395 55.666 56.100 -0.066 0.000 0.882 460 R CB 1.813 32.092 30.300 -0.035 0.000 1.180 460 R HN 0.115 nan 8.270 nan 0.000 0.444 461 G N 5.624 114.349 108.800 -0.125 0.000 2.389 461 G HA2 0.290 4.249 3.960 -0.001 0.000 0.287 461 G HA3 0.290 4.249 3.960 -0.001 0.000 0.287 461 G C -0.161 174.827 174.900 0.146 0.000 1.126 461 G CA -0.129 44.917 45.100 -0.091 0.000 1.073 461 G HN 0.445 nan 8.290 nan 0.000 0.429 462 I N 4.468 125.183 120.570 0.242 0.000 2.641 462 I HA 0.219 4.389 4.170 -0.001 0.000 0.275 462 I C -2.438 173.700 176.117 0.034 0.000 1.129 462 I CA -2.613 58.760 61.300 0.120 0.000 1.094 462 I CB 1.427 39.468 38.000 0.068 0.000 1.232 462 I HN 0.211 nan 8.210 nan 0.000 0.503 463 P HA 0.067 nan 4.420 nan 0.000 0.261 463 P C 0.233 177.254 177.300 -0.466 0.000 1.165 463 P CA 0.719 63.342 63.100 -0.794 0.000 0.759 463 P CB 0.086 30.977 31.700 -1.348 0.000 0.772 464 F N -1.187 118.726 119.950 -0.062 0.000 2.656 464 F HA -0.232 4.294 4.527 -0.002 0.000 0.381 464 F C 0.756 176.570 175.800 0.024 0.000 0.603 464 F CA 0.518 58.531 58.000 0.022 0.000 1.335 464 F CB -1.147 37.850 39.000 -0.005 0.000 1.836 464 F HN 0.321 nan 8.300 nan 0.000 0.290 465 E N 1.259 121.541 120.200 0.137 0.000 2.166 465 E HA 0.244 4.593 4.350 -0.001 0.000 0.275 465 E C -0.305 176.344 176.600 0.081 0.000 0.941 465 E CA -0.488 55.972 56.400 0.101 0.000 0.784 465 E CB 0.913 30.657 29.700 0.073 0.000 1.115 465 E HN 0.042 nan 8.360 nan 0.000 0.399 466 D N 2.503 122.947 120.400 0.074 0.000 2.538 466 D HA 0.044 4.683 4.640 -0.001 0.000 0.234 466 D C -0.160 176.146 176.300 0.010 0.000 1.191 466 D CA 0.152 54.183 54.000 0.052 0.000 0.828 466 D CB 0.036 40.891 40.800 0.091 0.000 0.981 466 D HN 0.305 nan 8.370 nan 0.000 0.490 467 S N -0.688 115.019 115.700 0.012 0.000 2.614 467 S HA 0.218 4.688 4.470 -0.001 0.000 0.265 467 S C 0.911 175.485 174.600 -0.044 0.000 1.303 467 S CA -0.210 57.986 58.200 -0.006 0.000 1.000 467 S CB 0.876 64.081 63.200 0.008 0.000 0.935 467 S HN 0.317 nan 8.310 nan 0.000 0.551 468 T N -2.346 112.177 114.554 -0.051 0.000 3.538 468 T HA -0.125 4.224 4.350 -0.001 0.000 0.385 468 T C -1.841 172.761 174.700 -0.163 0.000 0.766 468 T CA 0.401 62.452 62.100 -0.081 0.000 1.906 468 T CB -2.399 66.435 68.868 -0.057 0.000 1.760 468 T HN 0.684 nan 8.240 nan 0.000 0.678 469 P HA 0.446 nan 4.420 nan 0.000 0.271 469 P C -0.122 176.792 177.300 -0.644 0.000 1.218 469 P CA -0.448 62.346 63.100 -0.509 0.000 0.780 469 P CB 1.261 32.500 31.700 -0.769 0.000 0.901 470 V N 4.353 123.909 119.914 -0.596 0.000 2.311 470 V HA 0.155 4.274 4.120 -0.001 0.000 0.275 470 V C 0.761 176.521 176.094 -0.557 0.000 1.022 470 V CA -0.013 61.975 62.300 -0.519 0.000 0.830 470 V CB 0.106 31.731 31.823 -0.329 0.000 1.012 470 V HN 0.411 nan 8.190 nan 0.000 0.452 471 F N 1.361 121.131 119.950 -0.301 0.000 2.754 471 F HA 0.136 4.662 4.527 -0.001 0.000 0.297 471 F C 1.450 177.110 175.800 -0.233 0.000 1.122 471 F CA 0.182 58.023 58.000 -0.265 0.000 1.400 471 F CB 0.184 39.041 39.000 -0.239 0.000 1.117 471 F HN 0.348 nan 8.300 nan 0.000 0.587 472 T N 3.417 117.877 114.554 -0.156 0.000 2.733 472 T HA 0.314 4.663 4.350 -0.001 0.000 0.294 472 T C -2.398 172.294 174.700 -0.013 0.000 0.956 472 T CA -1.483 60.574 62.100 -0.072 0.000 0.987 472 T CB 1.405 70.187 68.868 -0.144 0.000 0.920 472 T HN -0.235 nan 8.240 nan 0.000 0.470 473 P HA 0.432 nan 4.420 nan 0.000 0.276 473 P C -0.453 176.809 177.300 -0.062 0.000 1.261 473 P CA -0.661 62.370 63.100 -0.116 0.000 0.800 473 P CB 0.920 32.483 31.700 -0.228 0.000 1.066 474 E N -0.015 120.093 120.200 -0.153 0.000 2.340 474 E HA 0.591 4.940 4.350 -0.001 0.000 0.273 474 E C -0.846 175.769 176.600 0.024 0.000 0.891 474 E CA -0.653 55.765 56.400 0.030 0.000 0.757 474 E CB 1.992 31.759 29.700 0.112 0.000 1.231 474 E HN 0.285 nan 8.360 nan 0.000 0.439 475 I N 2.243 122.929 120.570 0.194 0.000 2.466 475 I HA 0.246 4.415 4.170 -0.001 0.000 0.289 475 I C -1.299 174.926 176.117 0.181 0.000 1.026 475 I CA -0.972 60.437 61.300 0.182 0.000 1.078 475 I CB 1.292 39.410 38.000 0.197 0.000 1.249 475 I HN 0.520 nan 8.210 nan 0.000 0.429 476 Y N 7.034 127.250 120.300 -0.139 0.000 2.326 476 Y HA 0.502 5.051 4.550 -0.001 0.000 0.337 476 Y C -0.694 175.024 175.900 -0.304 0.000 1.023 476 Y CA -0.571 57.239 58.100 -0.483 0.000 1.143 476 Y CB 1.239 39.205 38.460 -0.825 0.000 1.183 476 Y HN 0.222 nan 8.280 nan 0.000 0.485 477 V N 10.297 129.725 119.914 -0.811 0.000 2.294 477 V HA 0.212 4.331 4.120 -0.001 0.000 0.272 477 V C -1.560 173.990 176.094 -0.907 0.000 1.027 477 V CA -1.494 60.464 62.300 -0.570 0.000 0.823 477 V CB 1.176 32.888 31.823 -0.186 0.000 1.030 477 V HN 0.765 nan 8.190 nan 0.000 0.457 478 P HA -0.210 nan 4.420 nan 0.000 0.216 478 P C 1.389 178.540 177.300 -0.249 0.000 1.153 478 P CA 1.244 64.035 63.100 -0.516 0.000 0.858 478 P CB 0.680 32.218 31.700 -0.270 0.000 0.789 479 E N 0.306 120.405 120.200 -0.168 0.000 2.267 479 E HA -0.193 4.157 4.350 -0.001 0.000 0.197 479 E C 1.957 178.503 176.600 -0.091 0.000 0.998 479 E CA 1.446 57.796 56.400 -0.083 0.000 0.830 479 E CB -0.560 29.108 29.700 -0.055 0.000 0.751 479 E HN 0.361 nan 8.360 nan 0.000 0.491 480 Q N -0.633 119.075 119.800 -0.153 0.000 2.281 480 Q HA 0.082 4.421 4.340 -0.001 0.000 0.215 480 Q C -0.259 175.641 176.000 -0.168 0.000 0.867 480 Q CA 0.450 56.182 55.803 -0.118 0.000 0.940 480 Q CB 0.693 29.392 28.738 -0.064 0.000 1.111 480 Q HN 0.140 nan 8.270 nan 0.000 0.513 481 D N 1.288 121.520 120.400 -0.280 0.000 2.697 481 D HA -0.141 4.498 4.640 -0.001 0.000 0.235 481 D C -1.294 174.880 176.300 -0.210 0.000 1.167 481 D CA 1.030 54.902 54.000 -0.213 0.000 0.656 481 D CB -0.819 39.978 40.800 -0.004 0.000 1.025 481 D HN 0.118 nan 8.370 nan 0.000 0.419 482 T N 0.795 115.078 114.554 -0.452 0.000 2.912 482 T HA 0.566 4.915 4.350 -0.001 0.000 0.299 482 T C -0.296 174.167 174.700 -0.395 0.000 1.052 482 T CA -0.598 61.305 62.100 -0.328 0.000 0.996 482 T CB 0.811 69.469 68.868 -0.350 0.000 1.070 482 T HN 0.032 nan 8.240 nan 0.000 0.465 483 F N 1.729 121.612 119.950 -0.111 0.000 2.422 483 F HA 0.622 5.148 4.527 -0.001 0.000 0.333 483 F C -0.473 175.346 175.800 0.032 0.000 1.095 483 F CA -0.617 57.418 58.000 0.057 0.000 1.038 483 F CB 1.156 40.212 39.000 0.093 0.000 1.156 483 F HN 0.485 nan 8.300 nan 0.000 0.483 484 Y N 1.788 122.284 120.300 0.328 0.000 2.361 484 Y HA 0.353 4.902 4.550 -0.001 0.000 0.337 484 Y C -0.217 175.718 175.900 0.057 0.000 0.965 484 Y CA -1.238 56.962 58.100 0.167 0.000 1.091 484 Y CB 1.644 40.153 38.460 0.081 0.000 1.182 484 Y HN 0.388 nan 8.280 nan 0.000 0.450 485 K N 3.405 123.790 120.400 -0.025 0.000 2.326 485 K HA 0.230 4.549 4.320 -0.001 0.000 0.275 485 K C -0.278 176.373 176.600 0.084 0.000 1.018 485 K CA -0.564 55.680 56.287 -0.072 0.000 0.962 485 K CB 0.622 32.958 32.500 -0.274 0.000 0.953 485 K HN 0.549 nan 8.250 nan 0.000 0.475 486 Q N 1.142 121.018 119.800 0.127 0.000 2.385 486 Q HA 0.261 4.601 4.340 -0.001 0.000 0.262 486 Q C -0.232 175.905 176.000 0.229 0.000 1.050 486 Q CA -0.918 55.006 55.803 0.202 0.000 0.903 486 Q CB 0.614 29.498 28.738 0.244 0.000 1.325 486 Q HN 0.469 nan 8.270 nan 0.000 0.485 487 N N 2.602 121.485 118.700 0.305 0.000 2.454 487 N HA 0.155 4.894 4.740 -0.001 0.000 0.254 487 N C -2.180 173.596 175.510 0.443 0.000 1.228 487 N CA -0.596 52.637 53.050 0.304 0.000 0.900 487 N CB 0.189 38.852 38.487 0.293 0.000 1.089 487 N HN 0.266 nan 8.380 nan 0.000 0.449 488 P HA 0.099 nan 4.420 nan 0.000 0.276 488 P C -0.525 176.779 177.300 0.006 0.000 1.244 488 P CA -0.431 62.764 63.100 0.159 0.000 0.801 488 P CB 1.011 32.732 31.700 0.035 0.000 1.006 489 N N -0.352 118.158 118.700 -0.317 0.000 2.741 489 N HA 0.166 4.905 4.740 -0.001 0.000 0.310 489 N C 0.398 175.653 175.510 -0.425 0.000 1.295 489 N CA -0.615 52.048 53.050 -0.644 0.000 0.893 489 N CB 0.746 38.328 38.487 -1.509 0.000 1.247 489 N HN 0.377 nan 8.380 nan 0.000 0.596 490 S N -1.458 114.007 115.700 -0.392 0.000 2.559 490 S HA 0.358 4.827 4.470 -0.001 0.000 0.226 490 S C 0.450 174.906 174.600 -0.240 0.000 1.000 490 S CA -0.568 57.377 58.200 -0.426 0.000 0.948 490 S CB -0.292 62.743 63.200 -0.275 0.000 0.870 490 S HN 0.503 nan 8.310 nan 0.000 0.497 491 I N 2.424 122.920 120.570 -0.124 0.000 2.378 491 I HA 0.386 4.555 4.170 -0.001 0.000 0.291 491 I C -0.506 175.595 176.117 -0.026 0.000 0.992 491 I CA -1.210 60.053 61.300 -0.061 0.000 1.154 491 I CB 2.067 39.976 38.000 -0.153 0.000 1.315 491 I HN -0.097 nan 8.210 nan 0.000 0.448 492 V N 7.055 126.950 119.914 -0.032 0.000 2.585 492 V HA 0.168 4.287 4.120 -0.001 0.000 0.296 492 V C 0.357 176.231 176.094 -0.367 0.000 1.035 492 V CA -0.182 62.005 62.300 -0.189 0.000 1.084 492 V CB 0.202 31.960 31.823 -0.108 0.000 0.953 492 V HN 0.596 nan 8.190 nan 0.000 0.483 493 R N 4.530 124.868 120.500 -0.270 0.000 2.415 493 R HA 0.456 4.795 4.340 -0.001 0.000 0.292 493 R C -0.264 175.966 176.300 -0.116 0.000 1.295 493 R CA -0.173 55.797 56.100 -0.216 0.000 1.137 493 R CB 1.222 31.424 30.300 -0.163 0.000 1.135 493 R HN 0.663 nan 8.270 nan 0.000 0.560 494 V N -0.727 119.140 119.914 -0.079 0.000 6.976 494 V HA 0.468 4.587 4.120 -0.001 0.000 0.265 494 V C 0.279 176.334 176.094 -0.066 0.000 1.690 494 V CA -0.864 61.447 62.300 0.019 0.000 0.585 494 V CB -0.329 31.537 31.823 0.071 0.000 1.621 494 V HN 0.410 nan 8.190 nan 0.000 0.353 495 Y N 1.683 121.749 120.300 -0.389 0.000 2.810 495 Y HA 0.141 4.690 4.550 -0.001 0.000 0.332 495 Y C 0.958 176.627 175.900 -0.386 0.000 1.243 495 Y CA 1.587 59.219 58.100 -0.780 0.000 1.537 495 Y CB -1.048 36.740 38.460 -1.120 0.000 1.265 495 Y HN 0.802 nan 8.280 nan 0.000 0.572 496 H N 1.451 119.870 119.070 -1.086 0.000 3.049 496 H HA -0.177 4.378 4.556 -0.001 0.000 0.250 496 H C -0.067 175.003 175.328 -0.431 0.000 1.219 496 H CA 0.163 55.713 56.048 -0.830 0.000 1.117 496 H CB -1.100 28.296 29.762 -0.610 0.000 1.251 496 H HN 0.637 nan 8.280 nan 0.000 0.338 497 S N 0.399 115.964 115.700 -0.225 0.000 2.687 497 S HA 0.723 5.192 4.470 -0.001 0.000 0.283 497 S C 0.108 174.635 174.600 -0.122 0.000 1.170 497 S CA -0.309 57.805 58.200 -0.145 0.000 1.008 497 S CB 2.671 65.805 63.200 -0.111 0.000 1.026 497 S HN 0.442 nan 8.310 nan 0.000 0.541 498 I N -2.481 118.052 120.570 -0.061 0.000 3.095 498 I HA 0.882 5.051 4.170 -0.001 0.000 0.310 498 I C -0.781 175.384 176.117 0.080 0.000 1.196 498 I CA -0.743 60.551 61.300 -0.010 0.000 0.985 498 I CB 1.947 39.934 38.000 -0.021 0.000 1.250 498 I HN 0.565 nan 8.210 nan 0.000 0.446 499 S N 3.077 118.849 115.700 0.120 0.000 2.536 499 S HA 0.889 5.358 4.470 -0.001 0.000 0.271 499 S C -1.111 173.609 174.600 0.201 0.000 1.134 499 S CA -0.573 57.750 58.200 0.204 0.000 0.897 499 S CB 1.470 64.810 63.200 0.232 0.000 1.094 499 S HN 0.620 nan 8.310 nan 0.000 0.473 500 L N 2.292 123.664 121.223 0.249 0.000 2.466 500 L HA 0.557 4.897 4.340 -0.001 0.000 0.258 500 L C -1.314 175.671 176.870 0.191 0.000 0.973 500 L CA -0.922 54.034 54.840 0.194 0.000 0.826 500 L CB 1.817 43.973 42.059 0.162 0.000 1.372 500 L HN 0.500 nan 8.230 nan 0.000 0.409 501 L N 2.902 124.208 121.223 0.138 0.000 2.319 501 L HA 0.443 4.782 4.340 -0.001 0.000 0.280 501 L C -0.669 176.269 176.870 0.113 0.000 1.099 501 L CA 0.384 55.294 54.840 0.117 0.000 0.828 501 L CB 0.637 42.751 42.059 0.091 0.000 1.150 501 L HN 0.379 nan 8.230 nan 0.000 0.442 502 L N 7.072 128.383 121.223 0.145 0.000 2.399 502 L HA 0.363 4.702 4.340 -0.001 0.000 0.266 502 L C -1.326 175.636 176.870 0.154 0.000 1.114 502 L CA -1.614 53.316 54.840 0.149 0.000 0.804 502 L CB 0.636 42.821 42.059 0.210 0.000 1.146 502 L HN 0.509 nan 8.230 nan 0.000 0.451 503 P HA -0.169 nan 4.420 nan 0.000 0.219 503 P C 0.498 177.899 177.300 0.168 0.000 1.146 503 P CA 1.061 64.208 63.100 0.078 0.000 0.808 503 P CB 0.021 31.740 31.700 0.032 0.000 0.779 504 D N -2.361 118.132 120.400 0.155 0.000 2.363 504 D HA 0.095 4.734 4.640 -0.001 0.000 0.226 504 D C 1.382 177.799 176.300 0.194 0.000 1.020 504 D CA 0.700 54.792 54.000 0.153 0.000 0.892 504 D CB -0.905 39.952 40.800 0.094 0.000 0.900 504 D HN 0.190 nan 8.370 nan 0.000 0.531 505 G N -0.390 108.553 108.800 0.237 0.000 2.175 505 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.244 505 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.244 505 G C 0.398 175.350 174.900 0.087 0.000 0.982 505 G CA -0.053 45.125 45.100 0.130 0.000 0.641 505 G HN 0.460 nan 8.290 nan 0.000 0.527 506 R N -0.784 119.750 120.500 0.056 0.000 2.608 506 R HA 0.714 5.053 4.340 -0.001 0.000 0.255 506 R C -0.200 176.106 176.300 0.010 0.000 1.086 506 R CA -0.599 55.480 56.100 -0.035 0.000 1.125 506 R CB 1.430 31.712 30.300 -0.030 0.000 1.193 506 R HN 0.084 nan 8.270 nan 0.000 0.553 507 V N 1.397 121.277 119.914 -0.055 0.000 2.513 507 V HA 0.313 4.432 4.120 -0.001 0.000 0.299 507 V C -0.942 175.236 176.094 0.140 0.000 1.035 507 V CA -0.620 61.686 62.300 0.011 0.000 0.889 507 V CB 1.462 33.153 31.823 -0.219 0.000 0.988 507 V HN 0.501 nan 8.190 nan 0.000 0.440 508 F N 4.757 124.754 119.950 0.078 0.000 2.361 508 F HA 0.609 5.136 4.527 -0.001 0.000 0.364 508 F C -0.051 175.826 175.800 0.128 0.000 1.117 508 F CA -0.260 57.792 58.000 0.087 0.000 1.071 508 F CB 0.929 39.991 39.000 0.104 0.000 1.188 508 F HN 0.582 nan 8.300 nan 0.000 0.464 509 N N 4.069 122.736 118.700 -0.056 0.000 2.354 509 N HA 0.770 5.509 4.740 -0.001 0.000 0.287 509 N C -0.634 174.783 175.510 -0.155 0.000 1.016 509 N CA -0.205 52.883 53.050 0.064 0.000 0.871 509 N CB 1.851 40.540 38.487 0.337 0.000 1.299 509 N HN 0.842 nan 8.380 nan 0.000 0.482 510 G N 0.415 109.155 108.800 -0.100 0.000 2.634 510 G HA2 0.667 4.626 3.960 -0.001 0.000 0.309 510 G HA3 0.667 4.626 3.960 -0.001 0.000 0.309 510 G C -0.168 174.683 174.900 -0.082 0.000 1.299 510 G CA -0.006 45.011 45.100 -0.138 0.000 0.798 510 G HN 1.067 nan 8.290 nan 0.000 0.490 511 G N -1.642 107.116 108.800 -0.070 0.000 2.642 511 G HA2 0.530 4.489 3.960 -0.001 0.000 0.231 511 G HA3 0.530 4.489 3.960 -0.001 0.000 0.231 511 G C 0.829 175.696 174.900 -0.056 0.000 1.338 511 G CA 1.073 46.126 45.100 -0.079 0.000 0.883 511 G HN 3.019 nan 8.290 nan 0.000 0.570 512 G N -2.213 106.557 108.800 -0.051 0.000 3.055 512 G HA2 0.582 4.541 3.960 -0.001 0.000 0.685 512 G HA3 0.582 4.541 3.960 -0.001 0.000 0.685 512 G C 0.876 175.878 174.900 0.170 0.000 1.212 512 G CA 0.660 45.783 45.100 0.039 0.000 0.822 512 G HN 3.193 nan 8.290 nan 0.000 0.610 513 G N 0.409 109.346 108.800 0.228 0.000 2.715 513 G HA2 0.413 4.373 3.960 -0.001 0.000 0.221 513 G HA3 0.413 4.373 3.960 -0.001 0.000 0.221 513 G C 0.321 175.496 174.900 0.457 0.000 1.204 513 G CA 0.730 46.036 45.100 0.344 0.000 1.063 513 G HN 2.627 nan 8.290 nan 0.000 0.586 514 L N -1.209 120.144 121.223 0.217 0.000 3.118 514 L HA -0.083 4.257 4.340 -0.001 0.000 0.641 514 L C 0.728 177.652 176.870 0.089 0.000 1.326 514 L CA 1.404 56.340 54.840 0.161 0.000 1.114 514 L CB -1.406 40.783 42.059 0.217 0.000 1.845 514 L HN 2.146 nan 8.230 nan 0.000 0.861 515 C N 0.077 119.318 119.300 -0.098 0.000 3.074 515 C HA 0.823 5.282 4.460 -0.001 0.000 0.224 515 C C 1.816 176.658 174.990 -0.247 0.000 1.988 515 C CA -0.281 58.515 59.018 -0.370 0.000 1.470 515 C CB -0.506 26.844 27.740 -0.650 0.000 2.762 515 C HN 1.986 nan 8.230 nan 0.000 0.502 516 G N 2.346 111.041 108.800 -0.175 0.000 2.602 516 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.310 516 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.310 516 G C 0.390 175.217 174.900 -0.121 0.000 1.183 516 G CA 1.179 46.172 45.100 -0.179 0.000 0.979 516 G HN 0.539 nan 8.290 nan 0.000 0.545 517 D N 1.062 121.358 120.400 -0.174 0.000 2.319 517 D HA 0.269 4.909 4.640 -0.001 0.000 0.230 517 D C 1.741 177.988 176.300 -0.088 0.000 1.094 517 D CA 0.711 54.634 54.000 -0.128 0.000 0.856 517 D CB -0.793 39.898 40.800 -0.180 0.000 0.915 517 D HN 0.822 nan 8.370 nan 0.000 0.517 518 C N -0.836 118.408 119.300 -0.094 0.000 2.745 518 C HA 0.329 4.789 4.460 -0.001 0.000 0.387 518 C C 2.057 177.016 174.990 -0.052 0.000 1.312 518 C CA 0.067 59.040 59.018 -0.075 0.000 2.204 518 C CB 0.315 28.003 27.740 -0.086 0.000 2.686 518 C HN 0.416 nan 8.230 nan 0.000 0.705 519 T N -2.874 111.648 114.554 -0.053 0.000 3.188 519 T HA 0.114 4.463 4.350 -0.001 0.000 0.250 519 T C 0.789 175.415 174.700 -0.123 0.000 1.077 519 T CA 0.641 62.691 62.100 -0.083 0.000 0.967 519 T CB -0.919 67.904 68.868 -0.075 0.000 1.006 519 T HN 1.060 nan 8.240 nan 0.000 0.552 520 T N -0.865 113.640 114.554 -0.081 0.000 3.266 520 T HA 0.303 4.652 4.350 -0.001 0.000 0.278 520 T C -0.013 174.608 174.700 -0.133 0.000 1.010 520 T CA -0.803 61.236 62.100 -0.103 0.000 0.909 520 T CB -0.322 68.591 68.868 0.075 0.000 1.122 520 T HN 0.111 nan 8.240 nan 0.000 0.536 521 N N 2.836 121.459 118.700 -0.129 0.000 2.415 521 N HA 0.184 4.924 4.740 -0.001 0.000 0.246 521 N C -1.038 174.409 175.510 -0.105 0.000 1.078 521 N CA -0.208 52.815 53.050 -0.045 0.000 0.942 521 N CB 0.504 39.047 38.487 0.094 0.000 1.140 521 N HN 0.502 nan 8.380 nan 0.000 0.501 522 H N 1.586 120.670 119.070 0.024 0.000 2.820 522 H HA 0.182 4.737 4.556 -0.001 0.000 0.278 522 H C -0.066 175.290 175.328 0.047 0.000 1.142 522 H CA -0.267 55.816 56.048 0.058 0.000 1.346 522 H CB -0.003 29.757 29.762 -0.003 0.000 1.438 522 H HN 0.428 nan 8.280 nan 0.000 0.473 523 F N 3.443 123.461 119.950 0.114 0.000 2.783 523 F HA 0.122 4.648 4.527 -0.002 0.000 0.338 523 F C 0.010 175.906 175.800 0.161 0.000 1.178 523 F CA -0.241 57.844 58.000 0.142 0.000 1.343 523 F CB -0.566 38.543 39.000 0.182 0.000 1.496 523 F HN 0.623 nan 8.300 nan 0.000 0.583 524 D N -0.647 119.885 120.400 0.221 0.000 2.713 524 D HA 0.728 5.368 4.640 -0.001 0.000 0.306 524 D C -1.306 174.984 176.300 -0.017 0.000 1.299 524 D CA -0.956 53.123 54.000 0.131 0.000 0.823 524 D CB 1.105 42.001 40.800 0.160 0.000 1.353 524 D HN 0.031 nan 8.370 nan 0.000 0.447 525 A N -0.758 121.971 122.820 -0.151 0.000 2.609 525 A HA 0.750 5.069 4.320 -0.001 0.000 0.291 525 A C -1.588 175.782 177.584 -0.357 0.000 1.096 525 A CA -0.765 51.033 52.037 -0.399 0.000 0.684 525 A CB 1.803 20.234 19.000 -0.949 0.000 1.282 525 A HN 0.474 nan 8.150 nan 0.000 0.412 526 Q N 0.291 119.903 119.800 -0.313 0.000 2.423 526 Q HA 0.541 4.880 4.340 -0.001 0.000 0.278 526 Q C -1.282 174.708 176.000 -0.016 0.000 1.097 526 Q CA -0.936 54.830 55.803 -0.062 0.000 0.809 526 Q CB 2.367 31.218 28.738 0.188 0.000 1.391 526 Q HN 0.607 nan 8.270 nan 0.000 0.428 527 I N 1.719 122.315 120.570 0.043 0.000 2.385 527 I HA 0.336 4.506 4.170 -0.001 0.000 0.294 527 I C -0.581 175.536 176.117 0.000 0.000 0.988 527 I CA -0.360 60.950 61.300 0.017 0.000 1.265 527 I CB 0.531 38.531 38.000 -0.000 0.000 1.388 527 I HN 0.555 nan 8.210 nan 0.000 0.480 528 F N 5.066 124.775 119.950 -0.401 0.000 2.444 528 F HA 0.457 4.983 4.527 -0.002 0.000 0.342 528 F C -0.082 175.377 175.800 -0.568 0.000 1.121 528 F CA -0.282 57.216 58.000 -0.836 0.000 0.997 528 F CB 1.408 39.523 39.000 -1.475 0.000 1.130 528 F HN 0.347 nan 8.300 nan 0.000 0.454 529 T N 8.163 122.021 114.554 -1.160 0.000 2.770 529 T HA 0.357 4.706 4.350 -0.001 0.000 0.297 529 T C -2.593 171.391 174.700 -1.193 0.000 0.997 529 T CA -1.286 60.295 62.100 -0.864 0.000 0.949 529 T CB 1.118 69.691 68.868 -0.492 0.000 0.941 529 T HN 0.325 nan 8.240 nan 0.000 0.457 530 P HA 0.154 nan 4.420 nan 0.000 0.270 530 P C 0.854 177.752 177.300 -0.670 0.000 1.223 530 P CA -0.331 62.224 63.100 -0.907 0.000 0.785 530 P CB 0.603 31.514 31.700 -1.314 0.000 0.923 531 N N 1.492 119.973 118.700 -0.366 0.000 2.272 531 N HA -0.237 4.502 4.740 -0.001 0.000 0.185 531 N C 1.371 176.827 175.510 -0.090 0.000 1.014 531 N CA 1.387 54.373 53.050 -0.107 0.000 0.870 531 N CB -0.709 37.739 38.487 -0.066 0.000 0.975 531 N HN 0.478 nan 8.380 nan 0.000 0.433 532 Y N -1.046 119.194 120.300 -0.100 0.000 2.651 532 Y HA 0.122 4.671 4.550 -0.001 0.000 0.296 532 Y C 1.234 177.042 175.900 -0.154 0.000 1.150 532 Y CA 0.355 58.386 58.100 -0.114 0.000 1.348 532 Y CB -0.761 37.625 38.460 -0.122 0.000 0.983 532 Y HN 0.090 nan 8.280 nan 0.000 0.555 533 L N -0.997 120.187 121.223 -0.065 0.000 2.607 533 L HA 0.187 4.527 4.340 -0.001 0.000 0.228 533 L C -0.586 176.062 176.870 -0.369 0.000 1.123 533 L CA -0.136 54.574 54.840 -0.217 0.000 0.890 533 L CB -0.047 41.773 42.059 -0.399 0.000 1.103 533 L HN 0.084 nan 8.230 nan 0.000 0.468 534 Y N 0.195 120.460 120.300 -0.057 0.000 2.468 534 Y HA 0.295 4.845 4.550 -0.001 0.000 0.342 534 Y C 0.398 176.276 175.900 -0.036 0.000 1.021 534 Y CA -1.750 56.315 58.100 -0.058 0.000 1.079 534 Y CB 1.023 39.428 38.460 -0.092 0.000 1.226 534 Y HN 0.046 nan 8.280 nan 0.000 0.460 535 N N -1.454 117.341 118.700 0.157 0.000 2.491 535 N HA 0.207 4.946 4.740 -0.001 0.000 0.279 535 N C 0.750 176.295 175.510 0.057 0.000 1.236 535 N CA -0.164 52.933 53.050 0.078 0.000 0.982 535 N CB 0.396 38.916 38.487 0.054 0.000 1.194 535 N HN 0.474 nan 8.380 nan 0.000 0.582 536 S N -0.999 114.719 115.700 0.029 0.000 2.442 536 S HA -0.165 4.304 4.470 -0.001 0.000 0.236 536 S C 0.904 175.504 174.600 0.000 0.000 1.007 536 S CA 0.903 59.109 58.200 0.010 0.000 0.965 536 S CB -0.990 62.214 63.200 0.007 0.000 0.773 536 S HN 0.652 nan 8.310 nan 0.000 0.504 537 N N 1.056 119.761 118.700 0.009 0.000 2.457 537 N HA 0.219 4.958 4.740 -0.001 0.000 0.180 537 N C 1.212 176.714 175.510 -0.012 0.000 1.050 537 N CA 0.375 53.426 53.050 0.002 0.000 0.906 537 N CB -0.053 38.441 38.487 0.012 0.000 0.968 537 N HN 0.662 nan 8.380 nan 0.000 0.445 538 G N 0.309 109.101 108.800 -0.014 0.000 2.179 538 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.220 538 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.220 538 G C -0.155 174.751 174.900 0.009 0.000 0.990 538 G CA -0.459 44.595 45.100 -0.078 0.000 0.646 538 G HN 0.205 nan 8.290 nan 0.000 0.517 539 N N 0.023 118.774 118.700 0.085 0.000 2.458 539 N HA 0.539 5.279 4.740 -0.001 0.000 0.271 539 N C 0.617 176.250 175.510 0.205 0.000 1.210 539 N CA -0.504 52.624 53.050 0.130 0.000 0.978 539 N CB 0.730 39.258 38.487 0.069 0.000 1.206 539 N HN 0.208 nan 8.380 nan 0.000 0.536 540 L N 1.349 122.654 121.223 0.138 0.000 2.462 540 L HA 0.142 4.481 4.340 -0.001 0.000 0.272 540 L C 1.009 177.889 176.870 0.018 0.000 1.166 540 L CA -0.352 54.507 54.840 0.031 0.000 0.880 540 L CB 0.204 42.250 42.059 -0.022 0.000 1.142 540 L HN 0.508 nan 8.230 nan 0.000 0.473 541 A N 3.217 126.032 122.820 -0.007 0.000 2.366 541 A HA 0.340 4.659 4.320 -0.001 0.000 0.249 541 A C 0.356 177.937 177.584 -0.006 0.000 1.084 541 A CA -0.345 51.695 52.037 0.005 0.000 0.794 541 A CB 0.165 19.169 19.000 0.006 0.000 1.034 541 A HN 0.691 nan 8.150 nan 0.000 0.491 542 T N 2.527 117.082 114.554 0.002 0.000 2.834 542 T HA 0.317 4.666 4.350 -0.001 0.000 0.298 542 T C 0.320 175.018 174.700 -0.004 0.000 0.966 542 T CA 0.392 62.493 62.100 0.001 0.000 1.141 542 T CB -0.030 68.841 68.868 0.006 0.000 0.905 542 T HN 0.591 nan 8.240 nan 0.000 0.535 543 R N 3.868 124.365 120.500 -0.004 0.000 2.604 543 R HA 0.437 4.777 4.340 -0.001 0.000 0.287 543 R C -2.383 173.917 176.300 -0.000 0.000 0.970 543 R CA -2.140 53.956 56.100 -0.006 0.000 0.946 543 R CB 0.841 31.139 30.300 -0.002 0.000 1.127 543 R HN 0.424 nan 8.270 nan 0.000 0.473 544 P HA 0.091 nan 4.420 nan 0.000 0.272 544 P C -1.174 176.131 177.300 0.009 0.000 1.223 544 P CA -0.174 62.926 63.100 0.000 0.000 0.784 544 P CB 0.876 32.567 31.700 -0.015 0.000 0.923 545 K N 1.735 122.144 120.400 0.015 0.000 2.378 545 K HA 0.529 4.848 4.320 -0.001 0.000 0.252 545 K C -0.325 176.291 176.600 0.026 0.000 0.931 545 K CA -0.792 55.506 56.287 0.019 0.000 0.794 545 K CB 1.906 34.417 32.500 0.018 0.000 1.181 545 K HN 0.390 nan 8.250 nan 0.000 0.425 546 I N 3.003 123.587 120.570 0.024 0.000 2.301 546 I HA 0.014 4.183 4.170 -0.001 0.000 0.292 546 I C 1.407 177.543 176.117 0.033 0.000 1.046 546 I CA -0.141 61.180 61.300 0.035 0.000 1.282 546 I CB 1.062 39.080 38.000 0.030 0.000 1.409 546 I HN 0.813 nan 8.210 nan 0.000 0.484 547 T N 2.973 117.551 114.554 0.040 0.000 3.081 547 T HA 0.122 4.471 4.350 -0.001 0.000 0.255 547 T C 0.757 175.473 174.700 0.028 0.000 1.113 547 T CA 0.081 62.200 62.100 0.031 0.000 1.082 547 T CB 0.252 69.138 68.868 0.031 0.000 0.939 547 T HN 0.603 nan 8.240 nan 0.000 0.506 548 R N 0.804 121.326 120.500 0.036 0.000 2.664 548 R HA 0.399 4.738 4.340 -0.001 0.000 0.260 548 R C -1.916 174.405 176.300 0.035 0.000 1.062 548 R CA -0.311 55.806 56.100 0.029 0.000 0.902 548 R CB 1.666 31.979 30.300 0.022 0.000 1.258 548 R HN 0.310 nan 8.270 nan 0.000 0.465 549 T N -0.421 114.147 114.554 0.024 0.000 2.886 549 T HA 0.214 4.564 4.350 -0.001 0.000 0.292 549 T C 1.002 175.699 174.700 -0.005 0.000 1.012 549 T CA -0.260 61.851 62.100 0.019 0.000 0.982 549 T CB 1.761 70.649 68.868 0.034 0.000 1.018 549 T HN 0.587 nan 8.240 nan 0.000 0.451 550 S N 1.732 117.414 115.700 -0.030 0.000 2.423 550 S HA 0.129 4.598 4.470 -0.001 0.000 0.231 550 S C 0.938 175.515 174.600 -0.037 0.000 1.014 550 S CA 0.905 59.081 58.200 -0.040 0.000 0.965 550 S CB -0.388 62.772 63.200 -0.067 0.000 0.785 550 S HN 1.147 nan 8.310 nan 0.000 0.495 551 T N -0.951 113.581 114.554 -0.036 0.000 2.786 551 T HA 0.465 4.814 4.350 -0.001 0.000 0.316 551 T C -1.417 173.280 174.700 -0.006 0.000 1.503 551 T CA -0.588 61.497 62.100 -0.025 0.000 1.019 551 T CB 1.708 70.550 68.868 -0.042 0.000 1.415 551 T HN -0.015 nan 8.240 nan 0.000 0.496 552 Q N 0.801 120.606 119.800 0.008 0.000 2.189 552 Q HA 0.472 4.811 4.340 -0.001 0.000 0.223 552 Q C -0.255 175.759 176.000 0.023 0.000 0.828 552 Q CA -0.075 55.749 55.803 0.034 0.000 0.967 552 Q CB 1.338 30.106 28.738 0.051 0.000 1.139 552 Q HN 0.390 nan 8.270 nan 0.000 0.497 553 S N -0.221 115.474 115.700 -0.007 0.000 2.575 553 S HA 0.771 5.240 4.470 -0.001 0.000 0.278 553 S C -1.774 172.801 174.600 -0.042 0.000 1.139 553 S CA -0.671 57.509 58.200 -0.032 0.000 0.954 553 S CB 1.440 64.618 63.200 -0.037 0.000 1.054 553 S HN 0.018 nan 8.310 nan 0.000 0.483 554 V N 5.028 124.911 119.914 -0.052 0.000 3.012 554 V HA 0.606 4.725 4.120 -0.001 0.000 0.307 554 V C -1.286 174.771 176.094 -0.061 0.000 1.166 554 V CA -0.825 61.440 62.300 -0.059 0.000 0.974 554 V CB 2.216 33.998 31.823 -0.068 0.000 1.040 554 V HN 0.966 nan 8.190 nan 0.000 0.428 555 K N 3.153 123.519 120.400 -0.057 0.000 2.154 555 K HA 0.549 4.868 4.320 -0.001 0.000 0.264 555 K C -0.320 176.245 176.600 -0.058 0.000 1.008 555 K CA -0.417 55.839 56.287 -0.051 0.000 0.937 555 K CB 1.594 34.068 32.500 -0.043 0.000 1.002 555 K HN 0.776 nan 8.250 nan 0.000 0.469 556 V N -0.402 119.479 119.914 -0.055 0.000 2.788 556 V HA 0.186 4.306 4.120 -0.001 0.000 0.307 556 V C 1.155 177.216 176.094 -0.055 0.000 1.069 556 V CA 0.614 62.876 62.300 -0.064 0.000 1.173 556 V CB -0.102 31.690 31.823 -0.053 0.000 0.925 556 V HN 1.073 nan 8.190 nan 0.000 0.492 557 G N 2.234 111.000 108.800 -0.056 0.000 2.225 557 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.254 557 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.254 557 G C 0.697 175.570 174.900 -0.045 0.000 0.988 557 G CA 0.213 45.286 45.100 -0.045 0.000 0.625 557 G HN 1.831 nan 8.290 nan 0.000 0.527 558 G N -0.599 108.168 108.800 -0.055 0.000 2.616 558 G HA2 0.559 4.518 3.960 -0.001 0.000 0.268 558 G HA3 0.559 4.518 3.960 -0.001 0.000 0.268 558 G C -0.018 174.827 174.900 -0.091 0.000 1.213 558 G CA 0.178 45.237 45.100 -0.068 0.000 0.926 558 G HN 0.618 nan 8.290 nan 0.000 0.523 559 R N -0.704 119.720 120.500 -0.127 0.000 2.711 559 R HA 0.648 4.987 4.340 -0.001 0.000 0.284 559 R C -1.002 175.116 176.300 -0.303 0.000 0.968 559 R CA -0.697 55.279 56.100 -0.206 0.000 0.924 559 R CB 1.246 31.456 30.300 -0.149 0.000 1.162 559 R HN 0.410 nan 8.270 nan 0.000 0.465 560 I N 2.128 122.353 120.570 -0.574 0.000 2.582 560 I HA 0.304 4.473 4.170 -0.001 0.000 0.292 560 I C -0.632 175.145 176.117 -0.566 0.000 1.066 560 I CA -0.799 60.149 61.300 -0.587 0.000 1.053 560 I CB 2.700 40.253 38.000 -0.746 0.000 1.241 560 I HN 0.584 nan 8.210 nan 0.000 0.421 561 T N 6.551 120.940 114.554 -0.274 0.000 2.829 561 T HA 0.699 5.048 4.350 -0.001 0.000 0.280 561 T C -0.337 174.333 174.700 -0.050 0.000 0.999 561 T CA -0.420 61.597 62.100 -0.139 0.000 0.983 561 T CB 1.501 70.317 68.868 -0.086 0.000 0.968 561 T HN 0.509 nan 8.240 nan 0.000 0.446 562 I N -1.132 119.466 120.570 0.046 0.000 3.145 562 I HA 0.891 5.060 4.170 -0.001 0.000 0.313 562 I C -0.801 175.396 176.117 0.133 0.000 1.122 562 I CA -0.907 60.451 61.300 0.098 0.000 0.987 562 I CB 2.520 40.616 38.000 0.160 0.000 1.236 562 I HN 0.397 nan 8.210 nan 0.000 0.453 563 S N 0.948 116.716 115.700 0.113 0.000 2.526 563 S HA 0.749 5.218 4.470 -0.001 0.000 0.293 563 S C -0.389 174.286 174.600 0.125 0.000 1.092 563 S CA -0.537 57.732 58.200 0.116 0.000 0.980 563 S CB 2.007 65.243 63.200 0.060 0.000 1.048 563 S HN 0.901 nan 8.310 nan 0.000 0.483 564 T N -1.445 113.203 114.554 0.156 0.000 2.930 564 T HA 0.448 4.797 4.350 -0.001 0.000 0.290 564 T C 0.456 175.212 174.700 0.093 0.000 1.052 564 T CA -0.778 61.394 62.100 0.120 0.000 1.017 564 T CB 1.333 70.282 68.868 0.135 0.000 1.137 564 T HN 0.537 nan 8.240 nan 0.000 0.511 565 D N 0.159 120.598 120.400 0.064 0.000 2.289 565 D HA 0.034 4.673 4.640 -0.001 0.000 0.207 565 D C 0.783 177.115 176.300 0.053 0.000 0.966 565 D CA 0.355 54.384 54.000 0.049 0.000 0.868 565 D CB -0.033 40.787 40.800 0.033 0.000 0.943 565 D HN 0.663 nan 8.370 nan 0.000 0.514 566 S N -0.754 114.986 115.700 0.067 0.000 2.671 566 S HA 0.458 4.927 4.470 -0.001 0.000 0.277 566 S C -0.435 174.228 174.600 0.106 0.000 1.165 566 S CA -0.636 57.605 58.200 0.069 0.000 0.822 566 S CB 1.412 64.637 63.200 0.042 0.000 1.150 566 S HN 0.216 nan 8.310 nan 0.000 0.479 567 S N 0.717 116.481 115.700 0.107 0.000 2.562 567 S HA 0.527 4.996 4.470 -0.001 0.000 0.281 567 S C 0.295 174.933 174.600 0.064 0.000 1.333 567 S CA -0.633 57.661 58.200 0.156 0.000 1.052 567 S CB -0.730 62.546 63.200 0.127 0.000 0.884 567 S HN 1.099 nan 8.310 nan 0.000 0.506 568 I N -0.717 119.849 120.570 -0.006 0.000 2.957 568 I HA 0.667 4.836 4.170 -0.001 0.000 0.310 568 I C 0.556 176.600 176.117 -0.122 0.000 1.063 568 I CA -0.933 60.281 61.300 -0.142 0.000 1.033 568 I CB 2.256 40.064 38.000 -0.319 0.000 1.230 568 I HN 0.717 nan 8.210 nan 0.000 0.447 569 S N 0.893 116.530 115.700 -0.105 0.000 2.575 569 S HA 0.428 4.897 4.470 -0.001 0.000 0.230 569 S C 0.377 174.931 174.600 -0.077 0.000 1.062 569 S CA -0.262 57.900 58.200 -0.062 0.000 0.913 569 S CB 0.145 63.324 63.200 -0.036 0.000 0.837 569 S HN 0.749 nan 8.310 nan 0.000 0.487 570 K N 0.003 120.338 120.400 -0.108 0.000 2.522 570 K HA 0.818 5.137 4.320 -0.001 0.000 0.275 570 K C -1.737 174.788 176.600 -0.125 0.000 1.006 570 K CA -0.611 55.617 56.287 -0.098 0.000 0.890 570 K CB 2.337 34.793 32.500 -0.073 0.000 1.475 570 K HN 0.236 nan 8.250 nan 0.000 0.441 571 A N 0.542 123.290 122.820 -0.120 0.000 2.594 571 A HA 0.773 5.093 4.320 -0.001 0.000 0.295 571 A C -1.412 176.093 177.584 -0.131 0.000 1.071 571 A CA -0.617 51.336 52.037 -0.141 0.000 0.685 571 A CB 1.705 20.574 19.000 -0.218 0.000 1.285 571 A HN 0.687 nan 8.150 nan 0.000 0.405 572 S N 0.222 115.872 115.700 -0.084 0.000 2.579 572 S HA 0.815 5.285 4.470 -0.001 0.000 0.272 572 S C -1.371 173.250 174.600 0.035 0.000 1.141 572 S CA -0.701 57.483 58.200 -0.027 0.000 0.843 572 S CB 1.173 64.401 63.200 0.046 0.000 1.122 572 S HN 0.839 nan 8.310 nan 0.000 0.468 573 L N 1.707 122.983 121.223 0.088 0.000 2.333 573 L HA 0.620 4.959 4.340 -0.001 0.000 0.280 573 L C -1.110 176.082 176.870 0.538 0.000 1.004 573 L CA -0.696 54.288 54.840 0.240 0.000 0.820 573 L CB 1.492 43.569 42.059 0.031 0.000 1.247 573 L HN 0.652 nan 8.230 nan 0.000 0.416 574 I N 3.561 124.457 120.570 0.544 0.000 2.418 574 I HA 0.381 4.550 4.170 -0.001 0.000 0.287 574 I C 0.059 176.266 176.117 0.151 0.000 1.008 574 I CA -0.641 60.883 61.300 0.374 0.000 1.104 574 I CB 2.016 40.192 38.000 0.294 0.000 1.264 574 I HN 0.580 nan 8.210 nan 0.000 0.438 575 R N 5.037 125.311 120.500 -0.376 0.000 2.537 575 R HA 0.188 4.527 4.340 -0.001 0.000 0.280 575 R C -0.896 175.259 176.300 -0.242 0.000 1.058 575 R CA -0.141 55.458 56.100 -0.836 0.000 1.057 575 R CB 0.477 29.918 30.300 -1.431 0.000 0.973 575 R HN 0.402 nan 8.270 nan 0.000 0.438 576 Y N 1.512 121.706 120.300 -0.177 0.000 2.712 576 Y HA 0.061 4.611 4.550 -0.000 0.000 0.333 576 Y C 1.288 177.174 175.900 -0.024 0.000 1.225 576 Y CA 1.139 59.223 58.100 -0.027 0.000 1.499 576 Y CB 0.779 39.253 38.460 0.023 0.000 1.288 576 Y HN 0.708 nan 8.280 nan 0.000 0.575 577 G N 1.073 109.953 108.800 0.133 0.000 2.509 577 G HA2 0.632 4.591 3.960 -0.001 0.000 0.328 577 G HA3 0.632 4.591 3.960 -0.001 0.000 0.328 577 G C -0.928 174.052 174.900 0.133 0.000 1.194 577 G CA -0.629 44.537 45.100 0.109 0.000 0.967 577 G HN 0.611 nan 8.290 nan 0.000 0.488 578 T N -3.237 111.387 114.554 0.117 0.000 2.903 578 T HA 0.812 5.162 4.350 -0.001 0.000 0.299 578 T C -0.629 174.119 174.700 0.079 0.000 1.093 578 T CA -0.322 61.857 62.100 0.131 0.000 1.002 578 T CB 2.006 70.983 68.868 0.182 0.000 1.127 578 T HN 1.863 nan 8.240 nan 0.000 0.488 579 A N 0.947 123.787 122.820 0.033 0.000 2.566 579 A HA 0.893 5.212 4.320 -0.001 0.000 0.297 579 A C -0.424 177.116 177.584 -0.074 0.000 1.059 579 A CA -0.714 51.319 52.037 -0.007 0.000 0.691 579 A CB 1.746 20.749 19.000 0.006 0.000 1.282 579 A HN 1.365 nan 8.150 nan 0.000 0.401 580 T N 0.056 114.588 114.554 -0.037 0.000 3.168 580 T HA 0.478 4.827 4.350 -0.001 0.000 0.373 580 T C -0.652 174.087 174.700 0.066 0.000 1.681 580 T CA 0.012 62.109 62.100 -0.004 0.000 1.135 580 T CB 0.273 69.169 68.868 0.047 0.000 1.477 580 T HN 1.705 nan 8.240 nan 0.000 0.480 581 H N 1.964 120.909 119.070 -0.209 0.000 2.776 581 H HA -0.228 4.327 4.556 -0.001 0.000 0.300 581 H C 1.323 176.428 175.328 -0.371 0.000 1.161 581 H CA 2.793 58.634 56.048 -0.345 0.000 1.147 581 H CB -1.918 27.630 29.762 -0.357 0.000 1.366 581 H HN 1.453 nan 8.280 nan 0.000 0.397 582 T N -6.291 108.160 114.554 -0.172 0.000 6.424 582 T HA -0.253 4.096 4.350 -0.001 0.000 0.279 582 T C 0.276 174.881 174.700 -0.159 0.000 2.176 582 T CA 0.720 62.707 62.100 -0.188 0.000 3.628 582 T CB -2.085 66.642 68.868 -0.235 0.000 1.165 582 T HN 0.446 nan 8.240 nan 0.000 1.080 583 V N 2.431 122.288 119.914 -0.096 0.000 2.465 583 V HA 0.737 4.856 4.120 -0.001 0.000 0.279 583 V C 0.342 176.420 176.094 -0.027 0.000 1.045 583 V CA -0.273 62.000 62.300 -0.046 0.000 0.938 583 V CB 1.568 33.412 31.823 0.035 0.000 0.986 583 V HN 0.612 nan 8.190 nan 0.000 0.467 584 N N 2.568 121.243 118.700 -0.043 0.000 2.685 584 N HA 0.112 4.851 4.740 -0.001 0.000 0.252 584 N C 0.497 175.984 175.510 -0.037 0.000 1.261 584 N CA 0.136 53.182 53.050 -0.006 0.000 0.768 584 N CB 1.817 40.317 38.487 0.021 0.000 1.304 584 N HN 0.738 nan 8.380 nan 0.000 0.536 585 T N -1.871 112.662 114.554 -0.036 0.000 3.107 585 T HA 0.151 4.500 4.350 -0.001 0.000 0.249 585 T C 0.612 175.324 174.700 0.021 0.000 1.096 585 T CA 0.438 62.486 62.100 -0.086 0.000 1.012 585 T CB 0.367 69.201 68.868 -0.058 0.000 0.977 585 T HN 0.169 nan 8.240 nan 0.000 0.527 586 D N 1.614 122.044 120.400 0.049 0.000 2.262 586 D HA 0.022 4.661 4.640 -0.001 0.000 0.212 586 D C 1.256 177.564 176.300 0.012 0.000 0.964 586 D CA 0.339 54.372 54.000 0.054 0.000 0.875 586 D CB 0.101 40.944 40.800 0.073 0.000 0.996 586 D HN 0.728 nan 8.370 nan 0.000 0.497 587 Q N 1.560 121.384 119.800 0.040 0.000 2.394 587 Q HA 0.307 4.647 4.340 -0.001 0.000 0.248 587 Q C -0.167 175.884 176.000 0.086 0.000 0.992 587 Q CA -0.256 55.564 55.803 0.029 0.000 0.888 587 Q CB 1.024 29.809 28.738 0.078 0.000 1.257 587 Q HN 0.045 nan 8.270 nan 0.000 0.462 588 R N -0.009 120.524 120.500 0.054 0.000 2.825 588 R HA 0.419 4.758 4.340 -0.001 0.000 0.274 588 R C -1.905 174.518 176.300 0.206 0.000 1.026 588 R CA -1.061 55.137 56.100 0.162 0.000 0.867 588 R CB 0.985 31.420 30.300 0.226 0.000 1.268 588 R HN 0.822 nan 8.270 nan 0.000 0.491 589 R N 2.149 122.812 120.500 0.272 0.000 2.599 589 R HA 0.600 4.939 4.340 -0.001 0.000 0.295 589 R C -1.197 175.281 176.300 0.296 0.000 0.963 589 R CA -0.735 55.550 56.100 0.309 0.000 0.883 589 R CB 1.700 32.136 30.300 0.227 0.000 1.171 589 R HN 0.698 nan 8.270 nan 0.000 0.450 590 I N 5.700 126.445 120.570 0.292 0.000 2.382 590 I HA 0.353 4.522 4.170 -0.001 0.000 0.286 590 I C -2.263 173.887 176.117 0.055 0.000 1.002 590 I CA -2.623 58.763 61.300 0.142 0.000 1.135 590 I CB 2.392 40.412 38.000 0.033 0.000 1.288 590 I HN 0.442 nan 8.210 nan 0.000 0.448 591 P HA 0.269 nan 4.420 nan 0.000 0.282 591 P C -0.823 176.451 177.300 -0.042 0.000 1.262 591 P CA -0.156 62.946 63.100 0.003 0.000 0.773 591 P CB 0.614 32.329 31.700 0.025 0.000 0.879 592 L N 2.850 124.011 121.223 -0.103 0.000 2.334 592 L HA 0.342 4.681 4.340 -0.001 0.000 0.277 592 L C 0.614 177.453 176.870 -0.053 0.000 1.075 592 L CA -0.255 54.502 54.840 -0.139 0.000 0.804 592 L CB 0.809 42.638 42.059 -0.384 0.000 1.174 592 L HN 0.246 nan 8.230 nan 0.000 0.438 593 T N 4.503 119.063 114.554 0.010 0.000 2.727 593 T HA 0.433 4.782 4.350 -0.001 0.000 0.298 593 T C 0.148 174.908 174.700 0.100 0.000 0.942 593 T CA -0.358 61.769 62.100 0.046 0.000 0.997 593 T CB 0.129 69.025 68.868 0.048 0.000 0.917 593 T HN 0.256 nan 8.240 nan 0.000 0.487 594 L N 2.834 124.115 121.223 0.097 0.000 2.421 594 L HA 0.508 4.847 4.340 -0.001 0.000 0.263 594 L C 0.698 177.666 176.870 0.163 0.000 1.122 594 L CA -0.605 54.333 54.840 0.164 0.000 0.804 594 L CB 0.975 43.121 42.059 0.144 0.000 1.150 594 L HN 0.486 nan 8.230 nan 0.000 0.457 595 T N 1.202 115.873 114.554 0.195 0.000 2.840 595 T HA 0.209 4.558 4.350 -0.001 0.000 0.287 595 T C -0.437 174.345 174.700 0.136 0.000 0.991 595 T CA -0.549 61.627 62.100 0.127 0.000 0.964 595 T CB 0.924 69.837 68.868 0.075 0.000 0.954 595 T HN 0.375 nan 8.240 nan 0.000 0.438 596 N N 2.928 121.674 118.700 0.076 0.000 2.408 596 N HA 0.164 4.904 4.740 -0.001 0.000 0.257 596 N C 0.400 175.828 175.510 -0.137 0.000 1.064 596 N CA -0.278 52.722 53.050 -0.084 0.000 0.952 596 N CB 0.695 39.159 38.487 -0.038 0.000 1.093 596 N HN 0.448 nan 8.380 nan 0.000 0.490 597 N N 2.262 120.831 118.700 -0.218 0.000 2.353 597 N HA 0.111 4.851 4.740 -0.001 0.000 0.185 597 N C 0.713 176.128 175.510 -0.159 0.000 1.098 597 N CA 0.304 53.266 53.050 -0.146 0.000 0.872 597 N CB 0.264 38.679 38.487 -0.119 0.000 0.970 597 N HN 0.764 nan 8.380 nan 0.000 0.467 598 G N -0.192 108.468 108.800 -0.232 0.000 2.712 598 G HA2 0.122 4.081 3.960 -0.001 0.000 0.686 598 G HA3 0.122 4.081 3.960 -0.001 0.000 0.686 598 G C 0.465 175.263 174.900 -0.170 0.000 1.321 598 G CA -0.118 44.877 45.100 -0.175 0.000 0.813 598 G HN 0.574 nan 8.290 nan 0.000 0.599 599 G N 0.169 108.898 108.800 -0.118 0.000 2.249 599 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.273 599 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.273 599 G C 0.768 175.617 174.900 -0.085 0.000 1.036 599 G CA 1.037 46.089 45.100 -0.080 0.000 0.824 599 G HN 2.465 nan 8.290 nan 0.000 0.504 600 N N -1.787 116.832 118.700 -0.135 0.000 2.747 600 N HA -0.186 4.553 4.740 -0.001 0.000 0.249 600 N C 0.188 175.648 175.510 -0.084 0.000 1.107 600 N CA 1.661 54.677 53.050 -0.057 0.000 0.707 600 N CB -1.361 37.178 38.487 0.086 0.000 1.054 600 N HN 1.109 nan 8.380 nan 0.000 0.555 601 S N -0.053 115.461 115.700 -0.309 0.000 2.449 601 S HA 0.684 5.153 4.470 -0.001 0.000 0.310 601 S C -0.916 173.477 174.600 -0.343 0.000 1.096 601 S CA -0.478 57.622 58.200 -0.167 0.000 1.095 601 S CB 0.705 63.837 63.200 -0.113 0.000 1.007 601 S HN 0.207 nan 8.310 nan 0.000 0.474 602 Y N 1.540 121.858 120.300 0.030 0.000 2.576 602 Y HA 0.661 5.210 4.550 -0.001 0.000 0.346 602 Y C 0.374 176.298 175.900 0.039 0.000 1.018 602 Y CA -0.792 57.338 58.100 0.049 0.000 1.050 602 Y CB 2.145 40.657 38.460 0.087 0.000 1.280 602 Y HN 0.715 nan 8.280 nan 0.000 0.474 603 S N 1.533 117.355 115.700 0.203 0.000 2.595 603 S HA 0.921 5.390 4.470 -0.001 0.000 0.281 603 S C -1.400 173.284 174.600 0.140 0.000 1.117 603 S CA -0.698 57.525 58.200 0.038 0.000 0.873 603 S CB 2.001 65.174 63.200 -0.045 0.000 1.108 603 S HN 0.710 nan 8.310 nan 0.000 0.477 604 F N -1.121 118.845 119.950 0.025 0.000 2.654 604 F HA 0.696 5.222 4.527 -0.002 0.000 0.308 604 F C -0.998 174.791 175.800 -0.018 0.000 1.108 604 F CA -0.969 57.035 58.000 0.006 0.000 0.957 604 F CB 1.555 40.555 39.000 -0.000 0.000 1.309 604 F HN 0.796 nan 8.300 nan 0.000 0.446 605 Q N 2.298 122.228 119.800 0.217 0.000 2.293 605 Q HA 0.662 5.002 4.340 -0.001 0.000 0.261 605 Q C -1.574 174.522 176.000 0.160 0.000 0.960 605 Q CA -0.944 54.919 55.803 0.100 0.000 0.882 605 Q CB 2.190 30.950 28.738 0.038 0.000 1.275 605 Q HN 0.789 nan 8.270 nan 0.000 0.445 606 V N 6.175 126.145 119.914 0.093 0.000 2.614 606 V HA 0.220 4.339 4.120 -0.001 0.000 0.291 606 V C -2.066 174.003 176.094 -0.041 0.000 1.049 606 V CA -1.485 60.823 62.300 0.015 0.000 1.038 606 V CB 0.881 32.672 31.823 -0.055 0.000 0.980 606 V HN 0.844 nan 8.190 nan 0.000 0.481 607 P HA -0.034 nan 4.420 nan 0.000 0.263 607 P C 0.820 178.077 177.300 -0.072 0.000 1.175 607 P CA 0.481 63.541 63.100 -0.067 0.000 0.761 607 P CB 0.455 32.107 31.700 -0.079 0.000 0.794 608 S N 0.891 116.554 115.700 -0.060 0.000 2.453 608 S HA -0.083 4.386 4.470 -0.001 0.000 0.231 608 S C 0.776 175.335 174.600 -0.069 0.000 1.005 608 S CA 0.577 58.742 58.200 -0.059 0.000 0.949 608 S CB -0.358 62.813 63.200 -0.049 0.000 0.774 608 S HN 0.429 nan 8.310 nan 0.000 0.510 609 D N 2.382 122.727 120.400 -0.091 0.000 2.316 609 D HA 0.235 4.875 4.640 -0.001 0.000 0.245 609 D C 0.981 177.219 176.300 -0.103 0.000 1.171 609 D CA 0.151 54.081 54.000 -0.118 0.000 0.856 609 D CB 1.591 42.280 40.800 -0.184 0.000 1.090 609 D HN 0.357 nan 8.370 nan 0.000 0.476 610 S N 1.809 117.471 115.700 -0.064 0.000 2.603 610 S HA -0.026 4.443 4.470 -0.001 0.000 0.229 610 S C 1.768 176.374 174.600 0.011 0.000 0.972 610 S CA 0.442 58.636 58.200 -0.009 0.000 0.935 610 S CB 0.141 63.349 63.200 0.014 0.000 0.769 610 S HN 0.475 nan 8.310 nan 0.000 0.536 611 G N 0.814 109.560 108.800 -0.090 0.000 2.511 611 G HA2 0.094 4.053 3.960 -0.001 0.000 0.217 611 G HA3 0.094 4.053 3.960 -0.001 0.000 0.217 611 G C 1.175 175.995 174.900 -0.134 0.000 1.133 611 G CA 0.683 45.712 45.100 -0.118 0.000 0.792 611 G HN 0.479 nan 8.290 nan 0.000 0.539 612 V N 0.744 120.548 119.914 -0.184 0.000 2.403 612 V HA 0.315 4.434 4.120 -0.001 0.000 0.239 612 V C 2.030 178.230 176.094 0.176 0.000 1.041 612 V CA 1.175 63.441 62.300 -0.056 0.000 1.051 612 V CB -0.230 31.504 31.823 -0.149 0.000 0.704 612 V HN 0.302 nan 8.190 nan 0.000 0.472 613 A N 1.282 124.146 122.820 0.073 0.000 3.056 613 A HA 0.428 4.747 4.320 -0.001 0.000 0.274 613 A C 0.180 177.930 177.584 0.278 0.000 1.661 613 A CA -0.171 51.904 52.037 0.064 0.000 1.363 613 A CB -1.088 17.805 19.000 -0.178 0.000 1.139 613 A HN 0.485 nan 8.150 nan 0.000 0.598 614 L N 3.165 124.710 121.223 0.536 0.000 2.578 614 L HA 0.075 4.414 4.340 -0.001 0.000 0.279 614 L C -1.545 175.618 176.870 0.489 0.000 1.227 614 L CA -0.976 54.124 54.840 0.433 0.000 0.900 614 L CB 0.367 42.657 42.059 0.386 0.000 1.144 614 L HN 0.434 nan 8.230 nan 0.000 0.496 615 P HA 0.185 nan 4.420 nan 0.000 0.267 615 P C 0.149 177.613 177.300 0.273 0.000 1.200 615 P CA 0.282 63.529 63.100 0.245 0.000 0.772 615 P CB 1.243 33.020 31.700 0.129 0.000 0.855 616 G N 1.239 110.180 108.800 0.234 0.000 2.302 616 G HA2 0.033 3.992 3.960 -0.001 0.000 0.276 616 G HA3 0.033 3.992 3.960 -0.001 0.000 0.276 616 G C -1.913 173.087 174.900 0.166 0.000 1.316 616 G CA -0.868 44.329 45.100 0.161 0.000 0.988 616 G HN 0.330 nan 8.290 nan 0.000 0.479 617 Y N -0.288 120.118 120.300 0.176 0.000 2.308 617 Y HA 0.643 5.192 4.550 -0.002 0.000 0.329 617 Y C 0.061 176.198 175.900 0.395 0.000 1.111 617 Y CA 0.232 58.454 58.100 0.204 0.000 1.179 617 Y CB 1.284 39.632 38.460 -0.188 0.000 1.201 617 Y HN 0.578 nan 8.280 nan 0.000 0.483 618 W N 2.901 124.476 121.300 0.458 0.000 2.962 618 W HA 0.666 5.325 4.660 -0.002 0.000 0.341 618 W C -1.068 175.659 176.519 0.346 0.000 1.155 618 W CA -1.111 56.470 57.345 0.393 0.000 1.165 618 W CB 1.252 30.834 29.460 0.205 0.000 1.435 618 W HN 0.213 nan 8.180 nan 0.000 0.546 619 M N 2.980 122.777 119.600 0.328 0.000 2.205 619 M HA 0.359 4.838 4.480 -0.001 0.000 0.344 619 M C -0.838 175.428 176.300 -0.056 0.000 1.085 619 M CA -1.057 54.233 55.300 -0.018 0.000 1.001 619 M CB 1.109 33.522 32.600 -0.311 0.000 1.626 619 M HN 0.218 nan 8.290 nan 0.000 0.442 620 L N 4.640 125.764 121.223 -0.165 0.000 2.264 620 L HA 0.623 4.962 4.340 -0.001 0.000 0.289 620 L C -1.820 174.860 176.870 -0.316 0.000 1.044 620 L CA 0.300 55.062 54.840 -0.131 0.000 0.807 620 L CB 0.283 42.333 42.059 -0.014 0.000 1.192 620 L HN 0.446 nan 8.230 nan 0.000 0.425 621 F N 4.654 124.574 119.950 -0.049 0.000 2.520 621 F HA 0.681 5.207 4.527 -0.001 0.000 0.322 621 F C -0.084 175.648 175.800 -0.113 0.000 1.103 621 F CA -0.720 57.235 58.000 -0.074 0.000 0.926 621 F CB 2.204 41.150 39.000 -0.090 0.000 1.154 621 F HN 0.408 nan 8.300 nan 0.000 0.453 622 V N 0.951 120.915 119.914 0.083 0.000 2.680 622 V HA 0.826 4.945 4.120 -0.001 0.000 0.309 622 V C -0.698 175.370 176.094 -0.044 0.000 1.052 622 V CA -0.865 61.417 62.300 -0.030 0.000 0.908 622 V CB 1.827 33.605 31.823 -0.075 0.000 1.001 622 V HN 0.701 nan 8.190 nan 0.000 0.431 623 M N 4.285 123.830 119.600 -0.092 0.000 2.465 623 M HA 0.553 5.032 4.480 -0.001 0.000 0.316 623 M C -0.276 175.967 176.300 -0.094 0.000 1.121 623 M CA -0.391 54.845 55.300 -0.106 0.000 0.934 623 M CB 1.893 34.411 32.600 -0.136 0.000 1.692 623 M HN 1.023 nan 8.290 nan 0.000 0.444 624 N N -0.240 118.414 118.700 -0.075 0.000 2.405 624 N HA 0.336 5.075 4.740 -0.001 0.000 0.269 624 N C 0.589 176.072 175.510 -0.046 0.000 1.249 624 N CA -0.233 52.785 53.050 -0.052 0.000 0.974 624 N CB 0.003 38.471 38.487 -0.032 0.000 1.204 624 N HN 0.643 nan 8.380 nan 0.000 0.565 625 S N -2.278 113.406 115.700 -0.027 0.000 2.442 625 S HA -0.114 4.355 4.470 -0.001 0.000 0.236 625 S C 1.549 176.136 174.600 -0.022 0.000 1.007 625 S CA 0.610 58.798 58.200 -0.020 0.000 0.965 625 S CB -0.893 62.303 63.200 -0.006 0.000 0.773 625 S HN 0.775 nan 8.310 nan 0.000 0.504 626 A N 0.701 123.508 122.820 -0.022 0.000 2.238 626 A HA 0.560 4.880 4.320 -0.001 0.000 0.208 626 A C 1.780 179.348 177.584 -0.027 0.000 1.177 626 A CA 0.546 52.572 52.037 -0.018 0.000 0.804 626 A CB -1.058 17.937 19.000 -0.009 0.000 0.823 626 A HN 1.519 nan 8.150 nan 0.000 0.482 627 G N -1.578 107.192 108.800 -0.049 0.000 2.157 627 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.248 627 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.248 627 G C 0.119 174.949 174.900 -0.118 0.000 0.979 627 G CA 0.110 45.164 45.100 -0.077 0.000 0.650 627 G HN 0.809 nan 8.290 nan 0.000 0.529 628 V N 2.945 122.804 119.914 -0.091 0.000 2.461 628 V HA 0.505 4.625 4.120 -0.001 0.000 0.275 628 V C -1.152 174.849 176.094 -0.155 0.000 1.047 628 V CA -1.158 61.080 62.300 -0.105 0.000 0.955 628 V CB 1.476 33.275 31.823 -0.040 0.000 0.988 628 V HN 0.279 nan 8.190 nan 0.000 0.471 629 P HA 0.316 nan 4.420 nan 0.000 0.287 629 P C -0.318 176.965 177.300 -0.028 0.000 1.270 629 P CA -0.378 62.610 63.100 -0.187 0.000 0.844 629 P CB 1.690 33.137 31.700 -0.422 0.000 1.068 630 S N 1.086 116.827 115.700 0.067 0.000 2.641 630 S HA 0.378 4.848 4.470 -0.001 0.000 0.261 630 S C 0.827 175.538 174.600 0.185 0.000 1.257 630 S CA -0.616 57.635 58.200 0.085 0.000 0.983 630 S CB -0.194 63.040 63.200 0.056 0.000 0.990 630 S HN 0.454 nan 8.310 nan 0.000 0.572 631 V N -1.729 118.247 119.914 0.102 0.000 3.214 631 V HA 0.793 4.912 4.120 -0.001 0.000 0.306 631 V C 0.599 176.643 176.094 -0.082 0.000 1.078 631 V CA -0.813 61.550 62.300 0.105 0.000 1.077 631 V CB -0.218 31.631 31.823 0.043 0.000 1.121 631 V HN 1.223 nan 8.190 nan 0.000 0.468 632 A N 1.718 124.353 122.820 -0.309 0.000 2.371 632 A HA 0.635 4.955 4.320 -0.001 0.000 0.257 632 A C 0.393 177.811 177.584 -0.276 0.000 1.089 632 A CA -0.214 51.414 52.037 -0.682 0.000 0.794 632 A CB 0.239 18.676 19.000 -0.939 0.000 1.029 632 A HN 0.990 nan 8.150 nan 0.000 0.488 633 S N 0.695 116.260 115.700 -0.226 0.000 2.449 633 S HA 0.441 4.910 4.470 -0.001 0.000 0.310 633 S C -0.033 174.579 174.600 0.020 0.000 1.096 633 S CA -0.371 57.796 58.200 -0.055 0.000 1.095 633 S CB 1.188 64.380 63.200 -0.014 0.000 1.007 633 S HN 0.742 nan 8.310 nan 0.000 0.474 634 T N 4.823 119.440 114.554 0.104 0.000 2.814 634 T HA 0.339 4.689 4.350 -0.001 0.000 0.297 634 T C -0.147 174.687 174.700 0.224 0.000 0.956 634 T CA -0.064 62.177 62.100 0.236 0.000 1.123 634 T CB -0.067 68.942 68.868 0.236 0.000 0.902 634 T HN 0.325 nan 8.240 nan 0.000 0.528 635 I N 3.105 123.846 120.570 0.286 0.000 2.498 635 I HA 0.410 4.579 4.170 -0.001 0.000 0.290 635 I C 0.162 176.388 176.117 0.181 0.000 1.032 635 I CA -0.825 60.596 61.300 0.203 0.000 1.073 635 I CB 1.993 40.102 38.000 0.182 0.000 1.251 635 I HN 0.540 nan 8.210 nan 0.000 0.426 636 R N 5.082 125.583 120.500 0.002 0.000 2.294 636 R HA 0.653 4.992 4.340 -0.001 0.000 0.319 636 R C -1.453 174.787 176.300 -0.101 0.000 0.984 636 R CA -0.402 55.560 56.100 -0.231 0.000 0.861 636 R CB 1.406 31.403 30.300 -0.504 0.000 1.104 636 R HN 0.437 nan 8.270 nan 0.000 0.451 637 V N 4.702 124.599 119.914 -0.029 0.000 2.394 637 V HA 0.331 4.450 4.120 -0.001 0.000 0.282 637 V C 0.368 176.451 176.094 -0.018 0.000 1.031 637 V CA -0.409 61.868 62.300 -0.038 0.000 0.881 637 V CB 1.477 33.245 31.823 -0.090 0.000 0.982 637 V HN 1.016 nan 8.190 nan 0.000 0.451 638 T N 2.128 116.660 114.554 -0.037 0.000 2.910 638 T HA 0.664 5.013 4.350 -0.001 0.000 0.287 638 T C -0.419 174.271 174.700 -0.016 0.000 1.050 638 T CA -0.844 61.241 62.100 -0.024 0.000 1.011 638 T CB 1.866 70.710 68.868 -0.039 0.000 1.195 638 T HN 0.525 nan 8.240 nan 0.000 0.540 639 Q N 0.000 119.794 119.800 -0.009 0.000 2.315 639 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 639 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 639 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 639 Q HN 0.000 nan 8.270 nan 0.000 0.481