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 1r42_1_A DATA FIRST_RESID 19 DATA SEQUENCE STIEEQAKTF LDKFNHEAED LFYQSSLASW NYNTNITEEN VQNMNNAGDK DATA SEQUENCE WSAFLKEQST LAQMYPLQEI QNLTVKLQLQ ALQQNGSSVL SEDKSKRLNT DATA SEQUENCE ILNTMSTIYS TGKVcNPDNP QEcLLLEPGL NEIMANSLDY NERLWAWESW DATA SEQUENCE RSEVGKQLRP LYEEYVVLKN EMARANHYED YGDYWRGDYE VNGVDGYDYS DATA SEQUENCE RGQLIEDVEH TFEEIKPLYE HLHAYVRAKL MNAYPSYISP IGCLPAHLLG DATA SEQUENCE DMWGRFWTNL YSLTVPFGQK PNIDVTDAMV DQAWDAQRIF KEAEKFFVSV DATA SEQUENCE GLPNMTQGFW ENSMLTDPGN VQKAVcHPTA WDLGKGDFRI LMcTKVTMDD DATA SEQUENCE FLTAHHEMGH IQYDMAYAAQ PFLLRNGANE GFHEAVGEIM SLSAATPKHL DATA SEQUENCE KSIGLLSPDF QEDNETEINF LLKQALTIVG TLPFTYMLEK WRWMVFKGEI DATA SEQUENCE PKDQWMKKWW EMKREIVGVV EPVPHDETYC DPASLFHVSN DYSFIRYYTR DATA SEQUENCE TLYQFQFQEA LcQAAKHEGP LHKcDISNST EAGQKLFNML RLGKSEPWTL DATA SEQUENCE ALENVVGAKN MNVRPLLNYF EPLFTWLKDQ NKNSFVGWST DWSPYAD 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.624 174.600 0.039 0.000 1.055 19 S CA 0.000 58.222 58.200 0.036 0.000 1.107 19 S CB 0.000 63.229 63.200 0.049 0.000 0.593 20 T N 3.966 118.545 114.554 0.041 0.000 2.889 20 T HA 0.327 4.676 4.350 -0.001 0.000 0.291 20 T C 1.319 176.059 174.700 0.067 0.000 0.995 20 T CA -0.567 61.558 62.100 0.041 0.000 1.092 20 T CB 0.438 69.323 68.868 0.030 0.000 0.954 20 T HN 0.658 nan 8.240 nan 0.000 0.506 21 I N 0.785 121.401 120.570 0.076 0.000 3.407 21 I HA 0.168 4.337 4.170 -0.001 0.000 0.308 21 I C 0.737 176.919 176.117 0.108 0.000 1.151 21 I CA 0.706 62.090 61.300 0.141 0.000 1.258 21 I CB -1.337 36.728 38.000 0.109 0.000 1.021 21 I HN 0.675 nan 8.210 nan 0.000 0.543 22 E N 1.624 121.858 120.200 0.056 0.000 2.717 22 E HA -0.043 4.307 4.350 -0.001 0.000 0.204 22 E C 1.712 178.312 176.600 0.000 0.000 0.911 22 E CA 0.322 56.731 56.400 0.015 0.000 1.370 22 E CB 0.048 29.757 29.700 0.015 0.000 1.315 22 E HN 0.207 nan 8.360 nan 0.000 0.643 23 E N 0.774 120.986 120.200 0.020 0.000 2.285 23 E HA -0.118 4.232 4.350 -0.001 0.000 0.194 23 E C 1.811 178.427 176.600 0.026 0.000 0.997 23 E CA 1.603 58.015 56.400 0.020 0.000 0.845 23 E CB 0.048 29.765 29.700 0.027 0.000 0.782 23 E HN 0.500 nan 8.360 nan 0.000 0.491 24 Q N -0.985 118.842 119.800 0.046 0.000 2.302 24 Q HA 0.156 4.496 4.340 -0.001 0.000 0.202 24 Q C 2.047 178.008 176.000 -0.065 0.000 0.936 24 Q CA 0.880 56.731 55.803 0.079 0.000 0.886 24 Q CB -0.095 28.760 28.738 0.195 0.000 0.986 24 Q HN 0.193 nan 8.270 nan 0.000 0.487 25 A N 2.135 124.815 122.820 -0.233 0.000 1.930 25 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 25 A C 2.016 179.489 177.584 -0.184 0.000 1.175 25 A CA 1.244 52.939 52.037 -0.570 0.000 0.627 25 A CB -0.245 18.512 19.000 -0.406 0.000 0.815 25 A HN 0.276 nan 8.150 nan 0.000 0.443 26 K N -0.448 119.906 120.400 -0.076 0.000 2.148 26 K HA -0.105 4.215 4.320 -0.001 0.000 0.204 26 K C 2.182 178.793 176.600 0.019 0.000 1.050 26 K CA 1.697 57.976 56.287 -0.014 0.000 0.942 26 K CB -0.272 32.228 32.500 0.000 0.000 0.724 26 K HN 0.744 nan 8.250 nan 0.000 0.446 27 T N -1.126 113.447 114.554 0.031 0.000 2.942 27 T HA -0.100 4.250 4.350 -0.001 0.000 0.265 27 T C 1.748 176.500 174.700 0.086 0.000 1.062 27 T CA 0.317 62.454 62.100 0.062 0.000 1.139 27 T CB -0.404 68.509 68.868 0.075 0.000 0.883 27 T HN 0.200 nan 8.240 nan 0.000 0.468 28 F N 1.927 121.829 119.950 -0.080 0.000 2.102 28 F HA 0.032 4.559 4.527 -0.001 0.000 0.298 28 F C 1.852 177.652 175.800 0.001 0.000 1.105 28 F CA 0.933 58.896 58.000 -0.061 0.000 1.239 28 F CB -0.456 38.386 39.000 -0.264 0.000 0.991 28 F HN 0.036 nan 8.300 nan 0.000 0.474 29 L N 0.936 122.145 121.223 -0.024 0.000 2.046 29 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 29 L C 2.129 179.006 176.870 0.011 0.000 1.077 29 L CA 2.070 56.873 54.840 -0.062 0.000 0.747 29 L CB -1.627 40.446 42.059 0.022 0.000 0.896 29 L HN 0.263 nan 8.230 nan 0.000 0.432 30 D N -0.517 119.907 120.400 0.041 0.000 2.117 30 D HA -0.191 4.449 4.640 -0.001 0.000 0.197 30 D C 2.144 178.537 176.300 0.155 0.000 0.987 30 D CA 1.276 55.340 54.000 0.108 0.000 0.829 30 D CB 0.195 41.064 40.800 0.116 0.000 0.961 30 D HN 0.225 nan 8.370 nan 0.000 0.460 31 K N -0.796 119.643 120.400 0.066 0.000 2.057 31 K HA -0.127 4.193 4.320 -0.001 0.000 0.207 31 K C 2.142 178.770 176.600 0.047 0.000 1.049 31 K CA 0.930 57.252 56.287 0.059 0.000 0.931 31 K CB -0.391 32.116 32.500 0.011 0.000 0.714 31 K HN 0.205 nan 8.250 nan 0.000 0.440 32 F N 2.751 122.573 119.950 -0.214 0.000 2.069 32 F HA -0.259 4.267 4.527 -0.001 0.000 0.298 32 F C 1.606 177.365 175.800 -0.068 0.000 1.113 32 F CA 1.817 59.712 58.000 -0.176 0.000 1.214 32 F CB -0.423 38.328 39.000 -0.415 0.000 0.978 32 F HN 0.069 nan 8.300 nan 0.000 0.474 33 N N -1.133 117.576 118.700 0.015 0.000 2.094 33 N HA -0.249 4.491 4.740 -0.001 0.000 0.191 33 N C 1.771 177.087 175.510 -0.323 0.000 1.023 33 N CA 1.386 54.345 53.050 -0.151 0.000 0.857 33 N CB -0.373 38.079 38.487 -0.059 0.000 1.013 33 N HN 0.410 nan 8.380 nan 0.000 0.426 34 H N 0.843 119.851 119.070 -0.102 0.000 2.333 34 H HA -0.004 4.552 4.556 -0.001 0.000 0.302 34 H C 1.750 176.973 175.328 -0.174 0.000 1.075 34 H CA 0.990 56.975 56.048 -0.105 0.000 1.348 34 H CB 0.026 29.749 29.762 -0.064 0.000 1.393 34 H HN 0.393 nan 8.280 nan 0.000 0.509 35 E N 0.631 120.771 120.200 -0.100 0.000 2.047 35 E HA -0.102 4.247 4.350 -0.001 0.000 0.191 35 E C 2.464 178.787 176.600 -0.462 0.000 0.987 35 E CA 0.764 57.006 56.400 -0.263 0.000 0.799 35 E CB 0.012 29.580 29.700 -0.219 0.000 0.752 35 E HN 0.348 nan 8.360 nan 0.000 0.449 36 A N 1.360 123.876 122.820 -0.506 0.000 1.883 36 A HA -0.276 4.044 4.320 -0.001 0.000 0.217 36 A C 2.039 179.374 177.584 -0.416 0.000 1.186 36 A CA 1.898 53.645 52.037 -0.484 0.000 0.624 36 A CB -0.556 17.660 19.000 -1.307 0.000 0.822 36 A HN 0.218 nan 8.150 nan 0.000 0.444 37 E N -0.152 119.800 120.200 -0.414 0.000 2.085 37 E HA -0.261 4.089 4.350 -0.001 0.000 0.194 37 E C 1.645 178.244 176.600 -0.001 0.000 0.994 37 E CA 1.731 58.062 56.400 -0.115 0.000 0.801 37 E CB -0.205 29.456 29.700 -0.065 0.000 0.743 37 E HN 0.645 nan 8.360 nan 0.000 0.453 38 D N -0.717 119.641 120.400 -0.070 0.000 2.123 38 D HA -0.087 4.553 4.640 -0.001 0.000 0.200 38 D C 1.880 178.184 176.300 0.005 0.000 0.976 38 D CA 0.934 54.920 54.000 -0.023 0.000 0.831 38 D CB -0.037 40.722 40.800 -0.068 0.000 0.974 38 D HN 0.242 nan 8.370 nan 0.000 0.469 39 L N -0.547 120.641 121.223 -0.058 0.000 2.141 39 L HA -0.035 4.305 4.340 -0.001 0.000 0.209 39 L C 2.054 178.946 176.870 0.035 0.000 1.094 39 L CA 0.450 55.300 54.840 0.017 0.000 0.763 39 L CB -0.360 41.705 42.059 0.010 0.000 0.908 39 L HN 0.113 nan 8.230 nan 0.000 0.437 40 F N -0.792 119.013 119.950 -0.241 0.000 2.259 40 F HA -0.235 4.292 4.527 -0.001 0.000 0.298 40 F C 2.393 178.069 175.800 -0.207 0.000 1.088 40 F CA 1.115 58.778 58.000 -0.562 0.000 1.358 40 F CB -0.193 38.455 39.000 -0.586 0.000 1.040 40 F HN -0.025 nan 8.300 nan 0.000 0.505 41 Y N 1.160 121.401 120.300 -0.098 0.000 2.200 41 Y HA -0.200 4.349 4.550 -0.001 0.000 0.290 41 Y C 2.437 178.237 175.900 -0.165 0.000 1.137 41 Y CA 1.992 60.019 58.100 -0.122 0.000 1.163 41 Y CB -0.581 37.849 38.460 -0.051 0.000 0.988 41 Y HN 0.162 nan 8.280 nan 0.000 0.518 42 Q N -1.346 118.403 119.800 -0.084 0.000 2.046 42 Q HA -0.197 4.142 4.340 -0.001 0.000 0.200 42 Q C 2.556 178.442 176.000 -0.190 0.000 0.975 42 Q CA 1.732 57.463 55.803 -0.120 0.000 0.836 42 Q CB -0.409 28.310 28.738 -0.032 0.000 0.896 42 Q HN 0.360 nan 8.270 nan 0.000 0.428 43 S N -0.074 115.491 115.700 -0.225 0.000 2.382 43 S HA -0.139 4.331 4.470 -0.001 0.000 0.228 43 S C 2.044 176.456 174.600 -0.314 0.000 1.027 43 S CA 1.398 59.451 58.200 -0.245 0.000 0.991 43 S CB -0.084 62.936 63.200 -0.301 0.000 0.823 43 S HN 0.276 nan 8.310 nan 0.000 0.469 44 S N 1.355 116.755 115.700 -0.501 0.000 2.355 44 S HA 0.047 4.517 4.470 -0.001 0.000 0.222 44 S C 1.786 176.299 174.600 -0.146 0.000 1.031 44 S CA 1.166 59.154 58.200 -0.354 0.000 0.993 44 S CB -0.535 62.374 63.200 -0.485 0.000 0.859 44 S HN 0.450 nan 8.310 nan 0.000 0.453 45 L N 1.054 122.071 121.223 -0.343 0.000 2.042 45 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 45 L C 2.692 179.525 176.870 -0.061 0.000 1.076 45 L CA 1.319 55.996 54.840 -0.272 0.000 0.749 45 L CB -0.564 41.255 42.059 -0.400 0.000 0.893 45 L HN 0.351 nan 8.230 nan 0.000 0.432 46 A N -1.250 121.530 122.820 -0.067 0.000 1.877 46 A HA -0.213 4.107 4.320 -0.001 0.000 0.216 46 A C 2.437 180.064 177.584 0.072 0.000 1.186 46 A CA 2.143 54.179 52.037 -0.002 0.000 0.620 46 A CB -0.666 18.319 19.000 -0.024 0.000 0.822 46 A HN 0.403 nan 8.150 nan 0.000 0.443 47 S N -1.661 114.105 115.700 0.111 0.000 2.402 47 S HA -0.147 4.323 4.470 -0.001 0.000 0.229 47 S C 1.564 176.357 174.600 0.321 0.000 1.021 47 S CA 0.887 59.233 58.200 0.244 0.000 0.974 47 S CB -0.397 62.983 63.200 0.299 0.000 0.800 47 S HN 0.792 nan 8.310 nan 0.000 0.484 48 W N 2.809 124.076 121.300 -0.054 0.000 2.402 48 W HA -0.067 4.593 4.660 -0.001 0.000 0.286 48 W C 1.388 177.766 176.519 -0.235 0.000 1.221 48 W CA 0.997 58.075 57.345 -0.445 0.000 1.257 48 W CB -0.693 28.361 29.460 -0.677 0.000 1.120 48 W HN 0.404 nan 8.180 nan 0.000 0.551 49 N N -0.489 118.206 118.700 -0.009 0.000 2.084 49 N HA -0.277 4.462 4.740 -0.001 0.000 0.190 49 N C 1.806 177.265 175.510 -0.085 0.000 1.030 49 N CA 1.783 54.801 53.050 -0.053 0.000 0.849 49 N CB -0.876 37.633 38.487 0.036 0.000 1.012 49 N HN 0.100 nan 8.380 nan 0.000 0.423 50 Y N 1.745 121.984 120.300 -0.101 0.000 2.293 50 Y HA -0.065 4.485 4.550 -0.001 0.000 0.291 50 Y C 1.218 177.053 175.900 -0.109 0.000 1.137 50 Y CA 1.412 59.467 58.100 -0.075 0.000 1.202 50 Y CB -0.064 38.386 38.460 -0.017 0.000 0.990 50 Y HN 0.030 nan 8.280 nan 0.000 0.537 51 N N -1.159 117.451 118.700 -0.149 0.000 2.412 51 N HA -0.029 4.711 4.740 -0.001 0.000 0.184 51 N C 1.271 176.526 175.510 -0.425 0.000 1.101 51 N CA 1.277 54.181 53.050 -0.244 0.000 0.881 51 N CB 0.077 38.571 38.487 0.011 0.000 0.969 51 N HN 0.507 nan 8.380 nan 0.000 0.459 52 T N -4.069 110.161 114.554 -0.540 0.000 2.990 52 T HA 0.130 4.479 4.350 -0.001 0.000 0.249 52 T C 0.429 174.930 174.700 -0.332 0.000 1.039 52 T CA -0.212 61.565 62.100 -0.539 0.000 1.036 52 T CB 0.126 68.526 68.868 -0.780 0.000 0.994 52 T HN 0.078 nan 8.240 nan 0.000 0.489 53 N N 0.954 119.479 118.700 -0.292 0.000 2.722 53 N HA 0.262 5.002 4.740 -0.001 0.000 0.242 53 N C -1.037 174.341 175.510 -0.219 0.000 1.398 53 N CA -0.410 52.519 53.050 -0.202 0.000 0.755 53 N CB 0.718 39.125 38.487 -0.133 0.000 1.268 53 N HN 0.230 nan 8.380 nan 0.000 0.522 54 I N 2.221 122.607 120.570 -0.307 0.000 2.769 54 I HA -0.055 4.115 4.170 -0.001 0.000 0.285 54 I C 0.303 176.332 176.117 -0.147 0.000 1.173 54 I CA 0.913 61.981 61.300 -0.385 0.000 1.389 54 I CB 0.152 37.918 38.000 -0.389 0.000 1.404 54 I HN 0.326 nan 8.210 nan 0.000 0.544 55 T N 4.251 118.784 114.554 -0.034 0.000 2.887 55 T HA 0.155 4.505 4.350 -0.001 0.000 0.292 55 T C 0.714 175.475 174.700 0.102 0.000 1.087 55 T CA -0.482 61.636 62.100 0.029 0.000 1.009 55 T CB 2.454 71.335 68.868 0.022 0.000 1.203 55 T HN 0.588 nan 8.240 nan 0.000 0.518 56 E N 0.923 121.166 120.200 0.072 0.000 2.112 56 E HA -0.075 4.274 4.350 -0.001 0.000 0.190 56 E C 1.819 178.460 176.600 0.068 0.000 0.979 56 E CA 1.238 57.684 56.400 0.077 0.000 0.814 56 E CB 0.169 29.899 29.700 0.049 0.000 0.762 56 E HN 0.625 nan 8.360 nan 0.000 0.460 57 E N -0.185 120.048 120.200 0.055 0.000 2.299 57 E HA -0.061 4.289 4.350 -0.001 0.000 0.193 57 E C 1.353 177.986 176.600 0.055 0.000 0.998 57 E CA 0.547 56.973 56.400 0.043 0.000 0.851 57 E CB -0.494 29.224 29.700 0.029 0.000 0.795 57 E HN 0.372 nan 8.360 nan 0.000 0.492 58 N N 0.683 119.435 118.700 0.087 0.000 2.396 58 N HA -0.059 4.680 4.740 -0.001 0.000 0.180 58 N C 1.793 177.398 175.510 0.159 0.000 1.028 58 N CA 0.478 53.600 53.050 0.120 0.000 0.893 58 N CB 0.381 38.946 38.487 0.129 0.000 0.967 58 N HN -0.033 nan 8.380 nan 0.000 0.440 59 V N 0.784 120.794 119.914 0.160 0.000 2.649 59 V HA -0.144 3.976 4.120 -0.001 0.000 0.248 59 V C 2.222 178.269 176.094 -0.080 0.000 1.054 59 V CA 1.408 63.669 62.300 -0.066 0.000 1.073 59 V CB 0.082 31.893 31.823 -0.019 0.000 0.699 59 V HN 0.208 nan 8.190 nan 0.000 0.463 60 Q N 0.843 120.640 119.800 -0.006 0.000 1.990 60 Q HA -0.191 4.149 4.340 -0.001 0.000 0.200 60 Q C 1.912 177.907 176.000 -0.008 0.000 0.980 60 Q CA 2.711 58.511 55.803 -0.006 0.000 0.832 60 Q CB -0.623 28.122 28.738 0.012 0.000 0.897 60 Q HN 0.754 nan 8.270 nan 0.000 0.427 61 N N -0.620 118.082 118.700 0.005 0.000 2.094 61 N HA -0.205 4.534 4.740 -0.001 0.000 0.191 61 N C 1.783 177.288 175.510 -0.007 0.000 1.023 61 N CA 1.463 54.516 53.050 0.004 0.000 0.857 61 N CB -0.196 38.299 38.487 0.014 0.000 1.013 61 N HN 0.385 nan 8.380 nan 0.000 0.426 62 M N 1.725 121.311 119.600 -0.022 0.000 2.077 62 M HA -0.176 4.304 4.480 -0.001 0.000 0.261 62 M C 1.654 177.926 176.300 -0.047 0.000 1.070 62 M CA 1.985 57.259 55.300 -0.042 0.000 1.125 62 M CB -0.272 32.275 32.600 -0.088 0.000 1.339 62 M HN 0.110 nan 8.290 nan 0.000 0.409 63 N N 0.396 119.054 118.700 -0.070 0.000 2.149 63 N HA -0.212 4.528 4.740 -0.001 0.000 0.188 63 N C 1.094 176.606 175.510 0.003 0.000 1.019 63 N CA 2.212 55.238 53.050 -0.041 0.000 0.857 63 N CB -0.939 37.517 38.487 -0.051 0.000 0.997 63 N HN 0.476 nan 8.380 nan 0.000 0.426 64 N N 0.471 119.174 118.700 0.004 0.000 2.171 64 N HA 0.017 4.757 4.740 -0.001 0.000 0.184 64 N C 1.670 177.203 175.510 0.039 0.000 1.021 64 N CA 1.353 54.417 53.050 0.023 0.000 0.854 64 N CB -0.474 38.023 38.487 0.016 0.000 0.994 64 N HN 0.477 nan 8.380 nan 0.000 0.426 65 A N 0.756 123.591 122.820 0.026 0.000 1.969 65 A HA 0.039 4.358 4.320 -0.001 0.000 0.218 65 A C 2.319 179.951 177.584 0.079 0.000 1.169 65 A CA 1.748 53.805 52.037 0.033 0.000 0.635 65 A CB -0.941 18.054 19.000 -0.007 0.000 0.810 65 A HN 0.355 nan 8.150 nan 0.000 0.445 66 G N -0.383 108.461 108.800 0.073 0.000 2.403 66 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.216 66 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.216 66 G C 1.007 176.030 174.900 0.205 0.000 1.154 66 G CA 1.111 46.294 45.100 0.137 0.000 0.784 66 G HN 0.472 nan 8.290 nan 0.000 0.538 67 D N -0.239 120.241 120.400 0.133 0.000 2.269 67 D HA 0.015 4.655 4.640 -0.001 0.000 0.208 67 D C 2.195 178.575 176.300 0.132 0.000 0.963 67 D CA 0.669 54.741 54.000 0.119 0.000 0.864 67 D CB 0.084 40.928 40.800 0.074 0.000 0.936 67 D HN 0.354 nan 8.370 nan 0.000 0.505 68 K N -0.391 120.098 120.400 0.149 0.000 2.116 68 K HA -0.086 4.233 4.320 -0.001 0.000 0.203 68 K C 1.918 178.658 176.600 0.234 0.000 1.052 68 K CA 0.595 56.971 56.287 0.148 0.000 0.952 68 K CB -0.061 32.505 32.500 0.110 0.000 0.729 68 K HN 0.244 nan 8.250 nan 0.000 0.446 69 W N 0.911 122.274 121.300 0.104 0.000 2.381 69 W HA -0.124 4.536 4.660 -0.001 0.000 0.301 69 W C 1.396 178.055 176.519 0.234 0.000 1.205 69 W CA 1.396 58.850 57.345 0.182 0.000 1.285 69 W CB -0.189 29.369 29.460 0.163 0.000 1.133 69 W HN 0.058 nan 8.180 nan 0.000 0.521 70 S N 1.130 116.890 115.700 0.101 0.000 2.383 70 S HA -0.126 4.344 4.470 -0.001 0.000 0.227 70 S C 2.075 176.644 174.600 -0.051 0.000 1.026 70 S CA 1.542 59.722 58.200 -0.032 0.000 0.981 70 S CB -0.652 62.601 63.200 0.088 0.000 0.818 70 S HN 0.365 nan 8.310 nan 0.000 0.472 71 A N 0.669 123.507 122.820 0.030 0.000 1.968 71 A HA 0.027 4.347 4.320 -0.001 0.000 0.217 71 A C 1.838 179.447 177.584 0.041 0.000 1.169 71 A CA 0.974 53.032 52.037 0.036 0.000 0.638 71 A CB -0.647 18.393 19.000 0.067 0.000 0.812 71 A HN 0.508 nan 8.150 nan 0.000 0.446 72 F N 0.043 119.923 119.950 -0.118 0.000 2.128 72 F HA -0.047 4.480 4.527 -0.001 0.000 0.295 72 F C 1.673 177.361 175.800 -0.188 0.000 1.100 72 F CA 1.285 59.201 58.000 -0.139 0.000 1.260 72 F CB -0.397 38.506 39.000 -0.162 0.000 1.009 72 F HN 0.144 nan 8.300 nan 0.000 0.476 73 L N 0.894 121.829 121.223 -0.481 0.000 2.191 73 L HA -0.170 4.170 4.340 -0.001 0.000 0.212 73 L C 2.450 179.152 176.870 -0.280 0.000 1.103 73 L CA 1.720 56.251 54.840 -0.515 0.000 0.769 73 L CB -0.924 40.817 42.059 -0.530 0.000 0.908 73 L HN 0.199 nan 8.230 nan 0.000 0.438 74 K N -0.844 119.444 120.400 -0.185 0.000 2.137 74 K HA -0.164 4.156 4.320 -0.001 0.000 0.202 74 K C 2.062 178.612 176.600 -0.083 0.000 1.052 74 K CA 1.026 57.254 56.287 -0.098 0.000 0.961 74 K CB 0.068 32.536 32.500 -0.053 0.000 0.741 74 K HN 0.361 nan 8.250 nan 0.000 0.452 75 E N 0.143 120.289 120.200 -0.090 0.000 2.106 75 E HA -0.189 4.161 4.350 -0.001 0.000 0.192 75 E C 1.873 178.445 176.600 -0.046 0.000 0.984 75 E CA 0.904 57.278 56.400 -0.043 0.000 0.806 75 E CB 0.240 29.940 29.700 -0.001 0.000 0.750 75 E HN 0.254 nan 8.360 nan 0.000 0.458 76 Q N 0.131 119.834 119.800 -0.161 0.000 2.167 76 Q HA -0.092 4.248 4.340 -0.001 0.000 0.202 76 Q C 2.199 178.229 176.000 0.050 0.000 0.970 76 Q CA 1.153 56.916 55.803 -0.068 0.000 0.855 76 Q CB -0.214 28.330 28.738 -0.323 0.000 0.911 76 Q HN 0.174 nan 8.270 nan 0.000 0.438 77 S N 0.736 116.409 115.700 -0.045 0.000 2.357 77 S HA -0.091 4.379 4.470 -0.001 0.000 0.221 77 S C 1.729 176.320 174.600 -0.015 0.000 1.031 77 S CA 1.606 59.789 58.200 -0.028 0.000 0.982 77 S CB -0.184 62.990 63.200 -0.043 0.000 0.853 77 S HN 0.559 nan 8.310 nan 0.000 0.458 78 T N -0.306 114.237 114.554 -0.018 0.000 3.434 78 T HA 0.296 4.645 4.350 -0.001 0.000 0.249 78 T C 0.648 175.336 174.700 -0.019 0.000 1.050 78 T CA 0.018 62.105 62.100 -0.022 0.000 0.952 78 T CB 0.304 69.160 68.868 -0.020 0.000 1.046 78 T HN 0.272 nan 8.240 nan 0.000 0.590 79 L N -1.041 120.180 121.223 -0.004 0.000 3.284 79 L HA 0.660 5.000 4.340 -0.001 0.000 0.294 79 L C 1.976 178.764 176.870 -0.137 0.000 1.183 79 L CA 0.483 55.326 54.840 0.006 0.000 1.056 79 L CB 0.037 42.191 42.059 0.157 0.000 1.513 79 L HN 0.257 nan 8.230 nan 0.000 0.601 80 A N -1.168 121.549 122.820 -0.173 0.000 2.147 80 A HA 0.074 4.393 4.320 -0.001 0.000 0.211 80 A C 1.754 179.245 177.584 -0.155 0.000 1.160 80 A CA 0.260 52.076 52.037 -0.369 0.000 0.781 80 A CB -0.087 18.783 19.000 -0.217 0.000 0.842 80 A HN 0.384 nan 8.150 nan 0.000 0.475 81 Q N -0.415 119.308 119.800 -0.129 0.000 2.112 81 Q HA -0.269 4.071 4.340 -0.001 0.000 0.206 81 Q C 1.983 177.878 176.000 -0.175 0.000 0.987 81 Q CA 1.731 57.470 55.803 -0.107 0.000 0.858 81 Q CB -0.654 28.033 28.738 -0.084 0.000 0.905 81 Q HN 0.794 nan 8.270 nan 0.000 0.420 82 M N 0.072 119.490 119.600 -0.304 0.000 2.153 82 M HA -0.228 4.252 4.480 -0.001 0.000 0.253 82 M C -0.217 175.726 176.300 -0.596 0.000 1.081 82 M CA 1.470 56.468 55.300 -0.502 0.000 1.076 82 M CB -0.031 32.120 32.600 -0.748 0.000 1.350 82 M HN 0.054 nan 8.290 nan 0.000 0.401 83 Y N 0.953 121.134 120.300 -0.198 0.000 2.595 83 Y HA 0.344 4.894 4.550 -0.001 0.000 0.347 83 Y C -2.134 173.697 175.900 -0.115 0.000 1.025 83 Y CA -3.046 54.960 58.100 -0.156 0.000 1.295 83 Y CB -0.677 37.667 38.460 -0.192 0.000 1.147 83 Y HN 0.096 nan 8.280 nan 0.000 0.515 84 P HA -0.131 nan 4.420 nan 0.000 0.253 84 P C 1.094 178.394 177.300 0.001 0.000 1.159 84 P CA 0.461 63.549 63.100 -0.020 0.000 0.779 84 P CB 0.369 32.051 31.700 -0.029 0.000 0.745 85 L N 2.473 123.690 121.223 -0.011 0.000 2.081 85 L HA -0.254 4.086 4.340 -0.001 0.000 0.212 85 L C 2.047 178.909 176.870 -0.014 0.000 1.080 85 L CA 1.561 56.395 54.840 -0.011 0.000 0.754 85 L CB -0.961 41.087 42.059 -0.019 0.000 0.893 85 L HN 0.296 nan 8.230 nan 0.000 0.433 86 Q N 0.501 120.287 119.800 -0.022 0.000 2.123 86 Q HA -0.195 4.145 4.340 -0.001 0.000 0.199 86 Q C 1.822 177.814 176.000 -0.013 0.000 0.966 86 Q CA 1.308 57.098 55.803 -0.022 0.000 0.845 86 Q CB 0.094 28.813 28.738 -0.031 0.000 0.907 86 Q HN 0.479 nan 8.270 nan 0.000 0.439 87 E N -0.040 120.155 120.200 -0.009 0.000 2.515 87 E HA -0.023 4.327 4.350 -0.001 0.000 0.201 87 E C -0.427 176.177 176.600 0.006 0.000 1.071 87 E CA 0.203 56.602 56.400 -0.001 0.000 0.880 87 E CB 0.189 29.891 29.700 0.003 0.000 0.828 87 E HN 0.258 nan 8.360 nan 0.000 0.540 88 I N 0.578 121.150 120.570 0.003 0.000 2.428 88 I HA 0.134 4.303 4.170 -0.001 0.000 0.296 88 I C 1.192 177.308 176.117 -0.002 0.000 0.985 88 I CA 0.122 61.423 61.300 0.002 0.000 1.260 88 I CB 1.534 39.533 38.000 -0.001 0.000 1.389 88 I HN 0.094 nan 8.210 nan 0.000 0.484 89 Q N 4.361 124.159 119.800 -0.002 0.000 2.644 89 Q HA 0.053 4.393 4.340 -0.001 0.000 0.220 89 Q C 0.595 176.592 176.000 -0.004 0.000 0.866 89 Q CA -0.112 55.689 55.803 -0.003 0.000 0.915 89 Q CB 0.336 29.073 28.738 -0.000 0.000 1.191 89 Q HN 0.634 nan 8.270 nan 0.000 0.641 90 N N 2.384 121.081 118.700 -0.005 0.000 2.380 90 N HA -0.062 4.678 4.740 -0.001 0.000 0.292 90 N C 0.775 176.278 175.510 -0.011 0.000 1.302 90 N CA 0.077 53.122 53.050 -0.007 0.000 1.007 90 N CB 0.505 38.987 38.487 -0.008 0.000 1.408 90 N HN 0.289 nan 8.380 nan 0.000 0.487 91 L N 2.823 124.039 121.223 -0.011 0.000 2.151 91 L HA -0.244 4.096 4.340 -0.001 0.000 0.215 91 L C 2.292 179.150 176.870 -0.020 0.000 1.084 91 L CA 1.595 56.427 54.840 -0.014 0.000 0.764 91 L CB -1.086 40.965 42.059 -0.013 0.000 0.891 91 L HN 0.455 nan 8.230 nan 0.000 0.435 92 T N -1.129 113.412 114.554 -0.022 0.000 2.867 92 T HA -0.110 4.240 4.350 -0.001 0.000 0.268 92 T C 1.879 176.565 174.700 -0.024 0.000 1.057 92 T CA 1.473 63.557 62.100 -0.026 0.000 1.136 92 T CB -0.274 68.580 68.868 -0.023 0.000 0.874 92 T HN 0.393 nan 8.240 nan 0.000 0.466 93 V N -0.226 119.676 119.914 -0.021 0.000 2.951 93 V HA 0.183 4.303 4.120 -0.001 0.000 0.255 93 V C 2.196 178.273 176.094 -0.028 0.000 1.088 93 V CA 1.094 63.380 62.300 -0.024 0.000 1.109 93 V CB -0.554 31.254 31.823 -0.025 0.000 0.724 93 V HN 0.264 nan 8.190 nan 0.000 0.471 94 K N 0.206 120.592 120.400 -0.023 0.000 2.057 94 K HA -0.008 4.312 4.320 -0.001 0.000 0.206 94 K C 2.148 178.735 176.600 -0.022 0.000 1.050 94 K CA 1.713 57.988 56.287 -0.020 0.000 0.935 94 K CB -0.269 32.223 32.500 -0.013 0.000 0.715 94 K HN 0.546 nan 8.250 nan 0.000 0.439 95 L N 0.958 122.166 121.223 -0.025 0.000 1.971 95 L HA -0.301 4.039 4.340 -0.001 0.000 0.215 95 L C 2.712 179.561 176.870 -0.036 0.000 1.072 95 L CA 1.756 56.578 54.840 -0.029 0.000 0.758 95 L CB -0.592 41.444 42.059 -0.039 0.000 0.889 95 L HN 0.327 nan 8.230 nan 0.000 0.433 96 Q N -0.628 119.147 119.800 -0.041 0.000 2.030 96 Q HA -0.270 4.070 4.340 -0.001 0.000 0.204 96 Q C 2.238 178.193 176.000 -0.075 0.000 0.986 96 Q CA 1.656 57.425 55.803 -0.057 0.000 0.843 96 Q CB -0.323 28.387 28.738 -0.048 0.000 0.904 96 Q HN 0.293 nan 8.270 nan 0.000 0.420 97 L N 0.879 122.070 121.223 -0.053 0.000 2.083 97 L HA -0.241 4.099 4.340 -0.001 0.000 0.209 97 L C 2.339 179.186 176.870 -0.038 0.000 1.083 97 L CA 1.840 56.652 54.840 -0.047 0.000 0.752 97 L CB -0.544 41.488 42.059 -0.044 0.000 0.899 97 L HN 0.249 nan 8.230 nan 0.000 0.433 98 Q N -1.079 118.705 119.800 -0.026 0.000 2.002 98 Q HA -0.247 4.092 4.340 -0.001 0.000 0.204 98 Q C 2.209 178.207 176.000 -0.004 0.000 0.988 98 Q CA 2.075 57.874 55.803 -0.006 0.000 0.843 98 Q CB -0.270 28.468 28.738 0.000 0.000 0.908 98 Q HN 0.629 nan 8.270 nan 0.000 0.420 99 A N 0.746 123.555 122.820 -0.019 0.000 1.892 99 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 99 A C 2.080 179.652 177.584 -0.020 0.000 1.188 99 A CA 1.552 53.581 52.037 -0.013 0.000 0.631 99 A CB -0.937 18.050 19.000 -0.022 0.000 0.822 99 A HN 0.480 nan 8.150 nan 0.000 0.447 100 L N -0.261 120.921 121.223 -0.069 0.000 1.994 100 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 100 L C 2.247 179.095 176.870 -0.037 0.000 1.071 100 L CA 1.631 56.415 54.840 -0.093 0.000 0.745 100 L CB -0.547 41.408 42.059 -0.174 0.000 0.892 100 L HN 0.718 nan 8.230 nan 0.000 0.431 101 Q N 0.417 120.204 119.800 -0.021 0.000 2.404 101 Q HA -0.013 4.327 4.340 -0.001 0.000 0.272 101 Q C 0.241 176.260 176.000 0.032 0.000 0.939 101 Q CA 0.035 55.836 55.803 -0.003 0.000 0.945 101 Q CB -0.180 28.550 28.738 -0.013 0.000 1.195 101 Q HN 0.398 nan 8.270 nan 0.000 0.415 102 Q N 1.048 120.875 119.800 0.046 0.000 2.390 102 Q HA 0.150 4.490 4.340 -0.001 0.000 0.249 102 Q C -0.149 175.901 176.000 0.084 0.000 0.996 102 Q CA -0.350 55.511 55.803 0.096 0.000 0.899 102 Q CB 0.745 29.549 28.738 0.110 0.000 1.216 102 Q HN 0.353 nan 8.270 nan 0.000 0.465 103 N N 3.031 121.777 118.700 0.077 0.000 2.080 103 N HA -0.060 4.680 4.740 -0.001 0.000 0.189 103 N C 1.085 176.620 175.510 0.041 0.000 1.036 103 N CA 1.389 54.462 53.050 0.040 0.000 0.846 103 N CB -0.337 38.157 38.487 0.013 0.000 1.015 103 N HN 0.831 nan 8.380 nan 0.000 0.423 104 G N 0.315 109.150 108.800 0.057 0.000 2.523 104 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.271 104 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.271 104 G C 1.026 175.878 174.900 -0.081 0.000 1.146 104 G CA 0.675 45.784 45.100 0.015 0.000 0.961 104 G HN 0.301 nan 8.290 nan 0.000 0.549 105 S N 1.030 116.684 115.700 -0.077 0.000 2.402 105 S HA -0.019 4.451 4.470 -0.001 0.000 0.229 105 S C 2.616 177.170 174.600 -0.078 0.000 1.021 105 S CA 2.123 60.260 58.200 -0.105 0.000 0.974 105 S CB -0.351 62.797 63.200 -0.086 0.000 0.800 105 S HN 1.787 nan 8.310 nan 0.000 0.484 106 S N 0.967 116.639 115.700 -0.047 0.000 2.537 106 S HA 0.016 4.486 4.470 -0.001 0.000 0.240 106 S C 1.449 176.021 174.600 -0.048 0.000 0.981 106 S CA 0.542 58.719 58.200 -0.039 0.000 0.948 106 S CB -0.416 62.771 63.200 -0.023 0.000 0.759 106 S HN 0.275 nan 8.310 nan 0.000 0.531 107 V N 0.655 120.531 119.914 -0.064 0.000 3.573 107 V HA 0.380 4.500 4.120 -0.001 0.000 0.270 107 V C 0.437 176.480 176.094 -0.084 0.000 1.221 107 V CA 0.320 62.576 62.300 -0.073 0.000 1.163 107 V CB -0.478 31.289 31.823 -0.094 0.000 0.847 107 V HN 0.495 nan 8.190 nan 0.000 0.468 108 L N 0.632 121.803 121.223 -0.086 0.000 2.375 108 L HA 0.451 4.791 4.340 -0.001 0.000 0.268 108 L C 0.637 177.468 176.870 -0.066 0.000 1.058 108 L CA -0.305 54.482 54.840 -0.088 0.000 0.803 108 L CB 1.738 43.734 42.059 -0.105 0.000 1.212 108 L HN 0.227 nan 8.230 nan 0.000 0.451 109 S N -0.413 115.250 115.700 -0.061 0.000 2.549 109 S HA 0.030 4.500 4.470 -0.001 0.000 0.279 109 S C 0.852 175.426 174.600 -0.044 0.000 1.321 109 S CA -0.547 57.624 58.200 -0.048 0.000 1.054 109 S CB 1.431 64.604 63.200 -0.045 0.000 0.899 109 S HN 0.692 nan 8.310 nan 0.000 0.497 110 E N 2.185 122.364 120.200 -0.035 0.000 2.172 110 E HA -0.287 4.062 4.350 -0.001 0.000 0.213 110 E C 1.065 177.646 176.600 -0.031 0.000 1.051 110 E CA 2.479 58.861 56.400 -0.030 0.000 0.860 110 E CB -0.488 29.199 29.700 -0.022 0.000 0.755 110 E HN 0.808 nan 8.360 nan 0.000 0.462 111 D N -0.662 119.719 120.400 -0.031 0.000 2.219 111 D HA -0.119 4.520 4.640 -0.001 0.000 0.205 111 D C 1.692 177.970 176.300 -0.038 0.000 0.970 111 D CA 0.821 54.803 54.000 -0.030 0.000 0.851 111 D CB 0.021 40.804 40.800 -0.028 0.000 0.943 111 D HN 0.177 nan 8.370 nan 0.000 0.488 112 K N 0.452 120.823 120.400 -0.048 0.000 2.021 112 K HA 0.073 4.393 4.320 -0.001 0.000 0.205 112 K C 2.287 178.848 176.600 -0.066 0.000 1.047 112 K CA 0.349 56.599 56.287 -0.062 0.000 0.943 112 K CB -0.526 31.927 32.500 -0.077 0.000 0.725 112 K HN -0.048 nan 8.250 nan 0.000 0.439 113 S N 1.639 117.302 115.700 -0.063 0.000 2.383 113 S HA -0.130 4.340 4.470 -0.001 0.000 0.229 113 S C 1.880 176.455 174.600 -0.042 0.000 1.030 113 S CA 1.197 59.361 58.200 -0.059 0.000 1.002 113 S CB -0.045 63.125 63.200 -0.050 0.000 0.829 113 S HN 0.192 nan 8.310 nan 0.000 0.467 114 K N 1.500 121.881 120.400 -0.033 0.000 2.025 114 K HA -0.028 4.291 4.320 -0.001 0.000 0.207 114 K C 2.295 178.883 176.600 -0.021 0.000 1.049 114 K CA 1.273 57.547 56.287 -0.021 0.000 0.933 114 K CB -0.279 32.210 32.500 -0.018 0.000 0.714 114 K HN 0.120 nan 8.250 nan 0.000 0.438 115 R N 1.147 121.630 120.500 -0.027 0.000 2.075 115 R HA -0.087 4.253 4.340 -0.001 0.000 0.232 115 R C 2.334 178.620 176.300 -0.022 0.000 1.126 115 R CA 1.235 57.321 56.100 -0.024 0.000 0.963 115 R CB -0.999 29.283 30.300 -0.030 0.000 0.858 115 R HN 0.226 nan 8.270 nan 0.000 0.435 116 L N 0.925 122.123 121.223 -0.041 0.000 2.042 116 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 116 L C 1.381 178.243 176.870 -0.013 0.000 1.076 116 L CA 1.959 56.773 54.840 -0.043 0.000 0.749 116 L CB -0.883 41.118 42.059 -0.097 0.000 0.893 116 L HN 0.215 nan 8.230 nan 0.000 0.432 117 N N -0.883 117.807 118.700 -0.016 0.000 2.166 117 N HA -0.142 4.598 4.740 -0.001 0.000 0.186 117 N C 1.727 177.242 175.510 0.010 0.000 1.019 117 N CA 1.794 54.843 53.050 -0.001 0.000 0.856 117 N CB -0.555 37.931 38.487 -0.002 0.000 0.993 117 N HN 0.433 nan 8.380 nan 0.000 0.426 118 T N 1.803 116.361 114.554 0.006 0.000 2.708 118 T HA 0.007 4.357 4.350 -0.001 0.000 0.266 118 T C 2.101 176.811 174.700 0.017 0.000 1.037 118 T CA 0.694 62.800 62.100 0.011 0.000 1.146 118 T CB -0.189 68.683 68.868 0.006 0.000 0.865 118 T HN 0.174 nan 8.240 nan 0.000 0.435 119 I N 0.708 121.291 120.570 0.020 0.000 2.208 119 I HA -0.164 4.006 4.170 -0.001 0.000 0.245 119 I C 2.261 178.398 176.117 0.033 0.000 1.097 119 I CA 1.224 62.544 61.300 0.033 0.000 1.363 119 I CB -0.406 37.626 38.000 0.054 0.000 1.051 119 I HN 0.213 nan 8.210 nan 0.000 0.413 120 L N 0.313 121.559 121.223 0.038 0.000 2.017 120 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 120 L C 2.345 179.223 176.870 0.014 0.000 1.073 120 L CA 1.297 56.151 54.840 0.024 0.000 0.745 120 L CB -0.771 41.307 42.059 0.032 0.000 0.894 120 L HN 0.318 nan 8.230 nan 0.000 0.432 121 N N -0.550 118.164 118.700 0.024 0.000 2.166 121 N HA -0.138 4.602 4.740 -0.001 0.000 0.186 121 N C 1.818 177.351 175.510 0.039 0.000 1.019 121 N CA 1.891 54.961 53.050 0.033 0.000 0.856 121 N CB -0.463 38.044 38.487 0.033 0.000 0.993 121 N HN 0.335 nan 8.380 nan 0.000 0.426 122 T N 1.748 116.321 114.554 0.031 0.000 2.701 122 T HA -0.015 4.335 4.350 -0.001 0.000 0.263 122 T C 2.121 176.843 174.700 0.037 0.000 1.040 122 T CA 0.943 63.062 62.100 0.032 0.000 1.147 122 T CB -0.124 68.757 68.868 0.023 0.000 0.865 122 T HN 0.187 nan 8.240 nan 0.000 0.426 123 M N 1.142 120.756 119.600 0.024 0.000 2.149 123 M HA -0.106 4.373 4.480 -0.001 0.000 0.261 123 M C 2.743 179.078 176.300 0.058 0.000 1.064 123 M CA 1.173 56.484 55.300 0.020 0.000 1.102 123 M CB -0.540 32.044 32.600 -0.028 0.000 1.369 123 M HN 0.232 nan 8.290 nan 0.000 0.408 124 S N 0.083 115.811 115.700 0.048 0.000 2.368 124 S HA -0.145 4.324 4.470 -0.001 0.000 0.225 124 S C 1.989 176.697 174.600 0.180 0.000 1.030 124 S CA 2.114 60.370 58.200 0.093 0.000 0.999 124 S CB -0.366 62.874 63.200 0.066 0.000 0.844 124 S HN 0.664 nan 8.310 nan 0.000 0.459 125 T N 0.805 115.437 114.554 0.131 0.000 2.812 125 T HA -0.056 4.293 4.350 -0.001 0.000 0.264 125 T C 1.882 176.665 174.700 0.140 0.000 1.042 125 T CA 1.193 63.373 62.100 0.134 0.000 1.140 125 T CB -0.895 68.027 68.868 0.090 0.000 0.870 125 T HN 0.578 nan 8.240 nan 0.000 0.445 126 I N -0.807 119.828 120.570 0.109 0.000 2.454 126 I HA -0.000 4.169 4.170 -0.001 0.000 0.254 126 I C 2.311 178.502 176.117 0.123 0.000 1.156 126 I CA 1.011 62.356 61.300 0.075 0.000 1.433 126 I CB -0.881 37.125 38.000 0.011 0.000 1.082 126 I HN 0.234 nan 8.210 nan 0.000 0.432 127 Y N 2.027 122.387 120.300 0.101 0.000 2.220 127 Y HA -0.154 4.396 4.550 -0.001 0.000 0.291 127 Y C 2.661 178.765 175.900 0.340 0.000 1.129 127 Y CA 1.807 60.044 58.100 0.229 0.000 1.161 127 Y CB -0.255 38.338 38.460 0.223 0.000 0.997 127 Y HN 0.400 nan 8.280 nan 0.000 0.522 128 S N -3.045 112.873 115.700 0.364 0.000 2.558 128 S HA -0.007 4.463 4.470 -0.001 0.000 0.217 128 S C 1.538 176.237 174.600 0.166 0.000 0.975 128 S CA 0.866 59.228 58.200 0.271 0.000 0.912 128 S CB -0.076 63.306 63.200 0.304 0.000 0.776 128 S HN 0.394 nan 8.310 nan 0.000 0.526 129 T N 0.715 115.361 114.554 0.153 0.000 3.004 129 T HA 0.394 4.744 4.350 -0.001 0.000 0.266 129 T C 0.783 175.548 174.700 0.109 0.000 0.986 129 T CA 0.252 62.420 62.100 0.115 0.000 0.902 129 T CB -0.206 68.720 68.868 0.097 0.000 1.118 129 T HN 0.515 nan 8.240 nan 0.000 0.522 130 G N 2.184 111.062 108.800 0.131 0.000 2.544 130 G HA2 0.503 4.463 3.960 -0.001 0.000 0.242 130 G HA3 0.503 4.463 3.960 -0.001 0.000 0.242 130 G C -0.655 174.367 174.900 0.204 0.000 1.247 130 G CA -0.317 44.849 45.100 0.110 0.000 0.840 130 G HN 0.606 nan 8.290 nan 0.000 0.578 131 K N -0.984 119.505 120.400 0.147 0.000 2.536 131 K HA 0.690 5.010 4.320 -0.001 0.000 0.269 131 K C -1.007 175.676 176.600 0.138 0.000 0.965 131 K CA -1.019 55.364 56.287 0.161 0.000 0.860 131 K CB 2.167 34.733 32.500 0.109 0.000 1.423 131 K HN 0.613 nan 8.250 nan 0.000 0.438 132 V N -2.023 117.981 119.914 0.151 0.000 2.815 132 V HA 0.739 4.859 4.120 -0.001 0.000 0.314 132 V C -0.656 175.595 176.094 0.261 0.000 1.064 132 V CA -0.650 61.744 62.300 0.156 0.000 0.952 132 V CB 1.275 33.123 31.823 0.041 0.000 1.020 132 V HN 0.977 nan 8.190 nan 0.000 0.439 133 c N 3.133 121.911 118.600 0.298 0.000 2.529 133 c HA 0.543 5.113 4.570 -0.001 0.000 0.329 133 c C 0.289 174.566 174.090 0.312 0.000 1.194 133 c CA -0.560 55.929 56.329 0.266 0.000 1.779 133 c CB 1.204 43.798 42.510 0.140 0.000 2.322 133 c HN 1.036 nan 8.230 nan 0.000 0.500 134 N N 2.045 120.798 118.700 0.088 0.000 2.412 134 N HA 0.053 4.793 4.740 -0.001 0.000 0.258 134 N C -1.662 173.777 175.510 -0.118 0.000 1.236 134 N CA -0.923 52.000 53.050 -0.211 0.000 0.882 134 N CB 1.075 39.414 38.487 -0.246 0.000 1.066 134 N HN 0.350 nan 8.380 nan 0.000 0.465 135 P HA -0.082 nan 4.420 nan 0.000 0.218 135 P C 0.266 177.521 177.300 -0.075 0.000 1.149 135 P CA 1.220 64.278 63.100 -0.071 0.000 0.817 135 P CB 0.113 31.767 31.700 -0.077 0.000 0.785 136 D N -2.036 118.291 120.400 -0.122 0.000 2.340 136 D HA -0.036 4.603 4.640 -0.001 0.000 0.220 136 D C 0.229 176.489 176.300 -0.067 0.000 1.039 136 D CA -0.183 53.765 54.000 -0.086 0.000 0.866 136 D CB -0.637 40.104 40.800 -0.098 0.000 0.913 136 D HN 0.078 nan 8.370 nan 0.000 0.523 137 N N -0.462 118.199 118.700 -0.065 0.000 3.151 137 N HA 0.099 4.838 4.740 -0.001 0.000 0.219 137 N C -2.496 173.004 175.510 -0.018 0.000 1.434 137 N CA -1.170 51.857 53.050 -0.039 0.000 0.767 137 N CB 1.151 39.611 38.487 -0.046 0.000 1.564 137 N HN -0.261 nan 8.380 nan 0.000 0.612 138 P HA -0.112 nan 4.420 nan 0.000 0.224 138 P C 0.582 177.897 177.300 0.026 0.000 1.142 138 P CA 1.173 64.285 63.100 0.020 0.000 0.778 138 P CB 0.312 32.022 31.700 0.017 0.000 0.764 139 Q N -1.336 118.473 119.800 0.016 0.000 2.384 139 Q HA 0.069 4.409 4.340 -0.001 0.000 0.207 139 Q C 0.608 176.623 176.000 0.024 0.000 0.904 139 Q CA 0.309 56.124 55.803 0.020 0.000 0.933 139 Q CB -0.034 28.712 28.738 0.012 0.000 1.077 139 Q HN 0.314 nan 8.270 nan 0.000 0.522 140 E N 0.405 120.617 120.200 0.021 0.000 2.014 140 E HA 0.253 4.603 4.350 -0.001 0.000 0.275 140 E C -1.174 175.464 176.600 0.064 0.000 0.997 140 E CA -0.290 56.126 56.400 0.026 0.000 0.804 140 E CB 0.304 30.002 29.700 -0.004 0.000 1.090 140 E HN 0.173 nan 8.360 nan 0.000 0.401 141 c N 5.008 123.655 118.600 0.078 0.000 2.507 141 c HA 0.593 5.162 4.570 -0.001 0.000 0.319 141 c C -0.337 173.819 174.090 0.111 0.000 1.208 141 c CA -0.864 55.534 56.329 0.114 0.000 1.619 141 c CB 0.515 43.081 42.510 0.093 0.000 2.230 141 c HN 0.672 nan 8.230 nan 0.000 0.492 142 L N 2.734 124.041 121.223 0.141 0.000 2.362 142 L HA 0.632 4.972 4.340 -0.001 0.000 0.271 142 L C -0.685 176.219 176.870 0.056 0.000 1.002 142 L CA -0.585 54.312 54.840 0.095 0.000 0.818 142 L CB 1.029 43.161 42.059 0.121 0.000 1.298 142 L HN 0.357 nan 8.230 nan 0.000 0.420 143 L N 1.339 122.570 121.223 0.012 0.000 2.431 143 L HA 0.260 4.599 4.340 -0.001 0.000 0.260 143 L C 0.901 177.672 176.870 -0.165 0.000 1.098 143 L CA -0.071 54.758 54.840 -0.019 0.000 0.800 143 L CB 0.598 42.655 42.059 -0.003 0.000 1.210 143 L HN 0.490 nan 8.230 nan 0.000 0.465 144 L N 0.550 121.567 121.223 -0.343 0.000 2.017 144 L HA -0.053 4.287 4.340 -0.001 0.000 0.208 144 L C 0.649 177.320 176.870 -0.332 0.000 1.073 144 L CA 1.663 56.107 54.840 -0.660 0.000 0.745 144 L CB -0.212 41.262 42.059 -0.975 0.000 0.894 144 L HN 0.733 nan 8.230 nan 0.000 0.432 145 E N 0.528 120.622 120.200 -0.178 0.000 2.185 145 E HA 0.406 4.756 4.350 -0.001 0.000 0.261 145 E C -2.442 174.137 176.600 -0.035 0.000 0.879 145 E CA -2.311 54.041 56.400 -0.080 0.000 0.756 145 E CB 1.064 30.750 29.700 -0.023 0.000 1.152 145 E HN 0.235 nan 8.360 nan 0.000 0.416 146 P HA 0.690 nan 4.420 nan 0.000 0.325 146 P C 0.373 177.643 177.300 -0.051 0.000 1.298 146 P CA 0.232 63.308 63.100 -0.038 0.000 0.771 146 P CB 1.315 33.007 31.700 -0.014 0.000 1.389 147 G N -0.966 107.810 108.800 -0.041 0.000 2.992 147 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.229 147 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.229 147 G C 0.647 175.518 174.900 -0.047 0.000 1.969 147 G CA 0.200 45.286 45.100 -0.024 0.000 1.603 147 G HN 0.467 nan 8.290 nan 0.000 0.573 148 L N 2.202 123.344 121.223 -0.135 0.000 2.093 148 L HA 0.218 4.558 4.340 -0.001 0.000 0.208 148 L C 2.435 179.171 176.870 -0.223 0.000 1.085 148 L CA 2.537 57.248 54.840 -0.216 0.000 0.755 148 L CB -1.278 40.526 42.059 -0.426 0.000 0.904 148 L HN 0.607 nan 8.230 nan 0.000 0.435 149 N N -1.088 117.479 118.700 -0.223 0.000 2.142 149 N HA -0.208 4.532 4.740 -0.001 0.000 0.186 149 N C 1.765 177.228 175.510 -0.077 0.000 1.023 149 N CA 0.786 53.738 53.050 -0.164 0.000 0.852 149 N CB 0.007 38.430 38.487 -0.108 0.000 0.998 149 N HN 0.303 nan 8.380 nan 0.000 0.424 150 E N 1.596 121.766 120.200 -0.050 0.000 2.110 150 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 150 E C 1.883 178.483 176.600 0.001 0.000 0.988 150 E CA 0.969 57.362 56.400 -0.012 0.000 0.804 150 E CB -0.054 29.645 29.700 -0.001 0.000 0.745 150 E HN 0.402 nan 8.360 nan 0.000 0.458 151 I N 0.476 121.046 120.570 -0.001 0.000 2.163 151 I HA -0.277 3.893 4.170 -0.001 0.000 0.240 151 I C 2.462 178.587 176.117 0.013 0.000 1.081 151 I CA 0.843 62.160 61.300 0.028 0.000 1.353 151 I CB -0.274 37.763 38.000 0.062 0.000 1.054 151 I HN 0.121 nan 8.210 nan 0.000 0.407 152 M N 0.234 119.814 119.600 -0.032 0.000 2.358 152 M HA -0.125 4.355 4.480 -0.001 0.000 0.264 152 M C 2.223 178.522 176.300 -0.002 0.000 1.064 152 M CA 1.381 56.659 55.300 -0.036 0.000 1.093 152 M CB -1.376 31.155 32.600 -0.115 0.000 1.401 152 M HN 0.310 nan 8.290 nan 0.000 0.440 153 A N -0.375 122.450 122.820 0.009 0.000 2.063 153 A HA 0.039 4.359 4.320 -0.001 0.000 0.211 153 A C 1.724 179.335 177.584 0.045 0.000 1.177 153 A CA 0.897 52.957 52.037 0.038 0.000 0.759 153 A CB -0.285 18.739 19.000 0.039 0.000 0.857 153 A HN 0.549 nan 8.150 nan 0.000 0.468 154 N N -1.277 117.446 118.700 0.039 0.000 2.317 154 N HA 0.106 4.846 4.740 -0.001 0.000 0.199 154 N C 0.507 176.046 175.510 0.048 0.000 1.145 154 N CA 0.372 53.448 53.050 0.043 0.000 0.882 154 N CB 0.529 39.038 38.487 0.037 0.000 1.113 154 N HN 0.213 nan 8.380 nan 0.000 0.486 155 S N 0.360 116.094 115.700 0.057 0.000 2.576 155 S HA 0.198 4.668 4.470 -0.001 0.000 0.276 155 S C 0.332 174.992 174.600 0.100 0.000 1.339 155 S CA -0.236 58.008 58.200 0.074 0.000 1.039 155 S CB 0.463 63.714 63.200 0.085 0.000 0.902 155 S HN 0.103 nan 8.310 nan 0.000 0.516 156 L N 3.318 124.603 121.223 0.104 0.000 2.959 156 L HA 0.427 4.767 4.340 -0.001 0.000 0.259 156 L C 0.341 177.347 176.870 0.227 0.000 1.185 156 L CA 0.174 55.086 54.840 0.120 0.000 0.998 156 L CB 0.389 42.441 42.059 -0.013 0.000 1.337 156 L HN 0.661 nan 8.230 nan 0.000 0.555 157 D N -1.153 119.376 120.400 0.214 0.000 2.359 157 D HA -0.032 4.608 4.640 -0.001 0.000 0.230 157 D C 1.020 177.464 176.300 0.240 0.000 1.118 157 D CA -0.358 53.782 54.000 0.233 0.000 0.844 157 D CB 1.021 41.914 40.800 0.156 0.000 1.059 157 D HN 0.179 nan 8.370 nan 0.000 0.493 158 Y N 5.402 125.778 120.300 0.126 0.000 2.102 158 Y HA -0.334 4.216 4.550 -0.000 0.000 0.280 158 Y C 1.704 177.589 175.900 -0.026 0.000 1.178 158 Y CA 1.949 59.966 58.100 -0.139 0.000 1.146 158 Y CB 0.123 38.244 38.460 -0.565 0.000 0.968 158 Y HN 0.459 nan 8.280 nan 0.000 0.504 159 N N 0.204 119.045 118.700 0.234 0.000 2.142 159 N HA -0.190 4.549 4.740 -0.001 0.000 0.186 159 N C 1.874 177.480 175.510 0.161 0.000 1.023 159 N CA 1.532 54.691 53.050 0.181 0.000 0.852 159 N CB -0.550 38.053 38.487 0.193 0.000 0.998 159 N HN 0.596 nan 8.380 nan 0.000 0.424 160 E N 1.426 121.726 120.200 0.168 0.000 2.077 160 E HA -0.110 4.240 4.350 -0.001 0.000 0.193 160 E C 1.821 178.576 176.600 0.259 0.000 0.989 160 E CA 0.772 57.308 56.400 0.228 0.000 0.800 160 E CB 0.147 29.946 29.700 0.166 0.000 0.746 160 E HN 0.277 nan 8.360 nan 0.000 0.452 161 R N 0.086 120.669 120.500 0.138 0.000 2.096 161 R HA -0.145 4.195 4.340 -0.001 0.000 0.235 161 R C 2.553 178.908 176.300 0.091 0.000 1.127 161 R CA 1.089 57.246 56.100 0.096 0.000 0.968 161 R CB -0.357 29.943 30.300 -0.001 0.000 0.861 161 R HN 0.216 nan 8.270 nan 0.000 0.440 162 L N 0.069 121.282 121.223 -0.016 0.000 2.056 162 L HA -0.124 4.216 4.340 -0.001 0.000 0.207 162 L C 2.049 178.920 176.870 0.002 0.000 1.078 162 L CA 1.554 56.225 54.840 -0.281 0.000 0.749 162 L CB -0.631 41.114 42.059 -0.523 0.000 0.901 162 L HN 0.231 nan 8.230 nan 0.000 0.433 163 W N 0.713 122.002 121.300 -0.018 0.000 2.335 163 W HA -0.248 4.412 4.660 -0.001 0.000 0.311 163 W C 2.291 178.856 176.519 0.076 0.000 1.213 163 W CA 2.710 60.076 57.345 0.034 0.000 1.274 163 W CB -0.705 28.772 29.460 0.029 0.000 1.148 163 W HN 0.254 nan 8.180 nan 0.000 0.498 164 A N -0.480 122.130 122.820 -0.351 0.000 1.873 164 A HA -0.183 4.137 4.320 -0.001 0.000 0.215 164 A C 1.825 179.232 177.584 -0.294 0.000 1.186 164 A CA 1.582 53.244 52.037 -0.625 0.000 0.616 164 A CB -1.770 17.093 19.000 -0.229 0.000 0.823 164 A HN 0.623 nan 8.150 nan 0.000 0.442 165 W N 0.831 121.980 121.300 -0.251 0.000 2.332 165 W HA -0.240 4.420 4.660 -0.000 0.000 0.321 165 W C 2.187 178.669 176.519 -0.061 0.000 1.219 165 W CA 2.406 59.672 57.345 -0.132 0.000 1.277 165 W CB -0.139 29.264 29.460 -0.095 0.000 1.161 165 W HN 0.407 nan 8.180 nan 0.000 0.476 166 E N 0.032 120.392 120.200 0.267 0.000 2.077 166 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 166 E C 2.100 178.673 176.600 -0.045 0.000 0.989 166 E CA 2.325 58.829 56.400 0.173 0.000 0.800 166 E CB -0.647 29.195 29.700 0.237 0.000 0.746 166 E HN 0.169 nan 8.360 nan 0.000 0.452 167 S N 0.150 115.727 115.700 -0.205 0.000 2.368 167 S HA -0.127 4.342 4.470 -0.001 0.000 0.225 167 S C 1.505 176.013 174.600 -0.153 0.000 1.030 167 S CA 0.981 59.032 58.200 -0.249 0.000 0.999 167 S CB -0.702 62.146 63.200 -0.586 0.000 0.844 167 S HN 0.538 nan 8.310 nan 0.000 0.459 168 W N 2.546 123.624 121.300 -0.370 0.000 2.333 168 W HA -0.179 4.480 4.660 -0.001 0.000 0.316 168 W C 2.119 178.491 176.519 -0.246 0.000 1.215 168 W CA 1.240 58.400 57.345 -0.308 0.000 1.278 168 W CB -0.181 29.064 29.460 -0.358 0.000 1.154 168 W HN 0.248 nan 8.180 nan 0.000 0.486 169 R N -0.225 120.103 120.500 -0.287 0.000 2.115 169 R HA -0.113 4.226 4.340 -0.001 0.000 0.226 169 R C 2.633 178.790 176.300 -0.239 0.000 1.100 169 R CA 1.514 57.424 56.100 -0.317 0.000 0.980 169 R CB -0.637 29.498 30.300 -0.275 0.000 0.875 169 R HN -0.008 nan 8.270 nan 0.000 0.445 170 S N 0.263 115.852 115.700 -0.184 0.000 2.377 170 S HA -0.087 4.383 4.470 -0.001 0.000 0.223 170 S C 1.552 175.969 174.600 -0.305 0.000 1.030 170 S CA 1.135 59.172 58.200 -0.271 0.000 0.970 170 S CB 0.134 63.255 63.200 -0.132 0.000 0.830 170 S HN 0.173 nan 8.310 nan 0.000 0.473 171 E N 0.216 120.265 120.200 -0.250 0.000 2.060 171 E HA -0.007 4.343 4.350 -0.001 0.000 0.189 171 E C 2.087 178.509 176.600 -0.297 0.000 0.974 171 E CA 1.299 57.565 56.400 -0.224 0.000 0.808 171 E CB -0.036 29.583 29.700 -0.135 0.000 0.768 171 E HN 0.511 nan 8.360 nan 0.000 0.453 172 V N -2.712 116.921 119.914 -0.468 0.000 2.672 172 V HA 0.282 4.402 4.120 -0.001 0.000 0.242 172 V C 2.086 177.889 176.094 -0.484 0.000 1.059 172 V CA 1.216 63.196 62.300 -0.533 0.000 1.081 172 V CB -0.698 30.587 31.823 -0.897 0.000 0.752 172 V HN 0.191 nan 8.190 nan 0.000 0.472 173 G N 0.789 109.253 108.800 -0.560 0.000 2.476 173 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.218 173 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.218 173 G C 1.608 176.344 174.900 -0.274 0.000 1.164 173 G CA 1.343 46.210 45.100 -0.388 0.000 0.768 173 G HN 0.566 nan 8.290 nan 0.000 0.560 174 K N 0.078 120.293 120.400 -0.308 0.000 2.209 174 K HA -0.075 4.244 4.320 -0.001 0.000 0.204 174 K C 2.683 179.173 176.600 -0.183 0.000 1.048 174 K CA 1.090 57.214 56.287 -0.271 0.000 0.940 174 K CB -0.119 32.157 32.500 -0.373 0.000 0.729 174 K HN 0.428 nan 8.250 nan 0.000 0.451 175 Q N 0.113 119.803 119.800 -0.183 0.000 2.167 175 Q HA -0.095 4.245 4.340 -0.001 0.000 0.202 175 Q C 1.692 177.643 176.000 -0.081 0.000 0.970 175 Q CA 0.713 56.442 55.803 -0.123 0.000 0.855 175 Q CB 0.084 28.747 28.738 -0.124 0.000 0.911 175 Q HN 0.142 nan 8.270 nan 0.000 0.438 176 L N 0.336 121.500 121.223 -0.098 0.000 2.240 176 L HA -0.069 4.271 4.340 -0.001 0.000 0.211 176 L C 2.222 179.113 176.870 0.035 0.000 1.106 176 L CA 1.214 56.028 54.840 -0.044 0.000 0.793 176 L CB -0.748 41.250 42.059 -0.100 0.000 0.927 176 L HN 0.079 nan 8.230 nan 0.000 0.446 177 R N 0.864 121.373 120.500 0.015 0.000 2.097 177 R HA -0.167 4.172 4.340 -0.001 0.000 0.236 177 R C -0.577 175.812 176.300 0.148 0.000 1.135 177 R CA 2.054 58.219 56.100 0.109 0.000 0.934 177 R CB -1.772 28.555 30.300 0.045 0.000 0.846 177 R HN 0.198 nan 8.270 nan 0.000 0.431 178 P HA -0.130 nan 4.420 nan 0.000 0.215 178 P C 1.190 178.542 177.300 0.087 0.000 1.157 178 P CA 1.478 64.607 63.100 0.048 0.000 0.868 178 P CB -0.108 31.597 31.700 0.008 0.000 0.788 179 L N -2.831 118.446 121.223 0.090 0.000 2.046 179 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 179 L C 2.605 179.577 176.870 0.170 0.000 1.077 179 L CA 1.526 56.426 54.840 0.099 0.000 0.747 179 L CB -1.134 40.964 42.059 0.066 0.000 0.896 179 L HN -0.064 nan 8.230 nan 0.000 0.432 180 Y N 1.076 121.435 120.300 0.098 0.000 2.224 180 Y HA -0.263 4.287 4.550 -0.000 0.000 0.289 180 Y C 2.516 178.658 175.900 0.402 0.000 1.146 180 Y CA 1.645 59.852 58.100 0.177 0.000 1.182 180 Y CB -0.114 38.438 38.460 0.154 0.000 0.983 180 Y HN 0.220 nan 8.280 nan 0.000 0.524 181 E N -0.366 120.082 120.200 0.413 0.000 2.051 181 E HA -0.258 4.092 4.350 -0.001 0.000 0.192 181 E C 2.157 178.848 176.600 0.152 0.000 0.991 181 E CA 1.348 57.938 56.400 0.318 0.000 0.799 181 E CB -0.233 29.503 29.700 0.059 0.000 0.748 181 E HN 0.547 nan 8.360 nan 0.000 0.449 182 E N 0.203 120.463 120.200 0.099 0.000 2.077 182 E HA -0.243 4.106 4.350 -0.001 0.000 0.193 182 E C 1.995 178.611 176.600 0.026 0.000 0.989 182 E CA 1.037 57.461 56.400 0.040 0.000 0.800 182 E CB -0.146 29.572 29.700 0.031 0.000 0.746 182 E HN 0.320 nan 8.360 nan 0.000 0.452 183 Y N 1.016 121.250 120.300 -0.109 0.000 2.165 183 Y HA -0.261 4.289 4.550 -0.001 0.000 0.286 183 Y C 2.083 177.830 175.900 -0.254 0.000 1.155 183 Y CA 1.983 59.962 58.100 -0.202 0.000 1.164 183 Y CB -0.559 37.753 38.460 -0.247 0.000 0.978 183 Y HN 0.042 nan 8.280 nan 0.000 0.513 184 V N -2.272 117.530 119.914 -0.186 0.000 2.427 184 V HA -0.196 3.924 4.120 -0.001 0.000 0.248 184 V C 2.130 178.089 176.094 -0.225 0.000 1.051 184 V CA 1.690 63.857 62.300 -0.222 0.000 1.048 184 V CB -1.593 30.313 31.823 0.139 0.000 0.666 184 V HN 0.311 nan 8.190 nan 0.000 0.456 185 V N 0.117 119.958 119.914 -0.121 0.000 2.231 185 V HA -0.241 3.878 4.120 -0.001 0.000 0.248 185 V C 2.678 178.647 176.094 -0.208 0.000 1.054 185 V CA 2.465 64.694 62.300 -0.118 0.000 1.015 185 V CB -0.794 30.986 31.823 -0.072 0.000 0.638 185 V HN 0.467 nan 8.190 nan 0.000 0.444 186 L N -0.549 120.528 121.223 -0.243 0.000 2.079 186 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 186 L C 2.318 178.930 176.870 -0.431 0.000 1.081 186 L CA 1.829 56.499 54.840 -0.283 0.000 0.752 186 L CB -1.153 40.761 42.059 -0.241 0.000 0.896 186 L HN 0.273 nan 8.230 nan 0.000 0.433 187 K N -0.511 119.493 120.400 -0.659 0.000 2.103 187 K HA -0.034 4.286 4.320 -0.001 0.000 0.204 187 K C 1.903 178.060 176.600 -0.738 0.000 1.052 187 K CA 0.745 56.441 56.287 -0.986 0.000 0.945 187 K CB -0.219 31.258 32.500 -1.706 0.000 0.722 187 K HN 0.190 nan 8.250 nan 0.000 0.443 188 N N 0.595 118.996 118.700 -0.499 0.000 2.244 188 N HA -0.144 4.596 4.740 -0.001 0.000 0.183 188 N C 1.518 176.881 175.510 -0.245 0.000 1.016 188 N CA 0.854 53.722 53.050 -0.303 0.000 0.866 188 N CB 0.083 38.476 38.487 -0.157 0.000 0.980 188 N HN 0.373 nan 8.380 nan 0.000 0.430 189 E N 0.298 120.345 120.200 -0.254 0.000 2.047 189 E HA -0.124 4.226 4.350 -0.001 0.000 0.191 189 E C 1.982 178.447 176.600 -0.226 0.000 0.987 189 E CA 0.639 56.920 56.400 -0.199 0.000 0.799 189 E CB -0.011 29.581 29.700 -0.180 0.000 0.752 189 E HN 0.164 nan 8.360 nan 0.000 0.449 190 M N 0.792 120.208 119.600 -0.306 0.000 2.065 190 M HA -0.192 4.288 4.480 -0.001 0.000 0.259 190 M C 2.240 178.359 176.300 -0.302 0.000 1.069 190 M CA 2.114 57.225 55.300 -0.315 0.000 1.110 190 M CB -0.578 31.772 32.600 -0.417 0.000 1.328 190 M HN 0.185 nan 8.290 nan 0.000 0.405 191 A N 0.928 123.533 122.820 -0.358 0.000 1.883 191 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 191 A C 2.196 179.762 177.584 -0.031 0.000 1.186 191 A CA 2.028 53.924 52.037 -0.235 0.000 0.624 191 A CB -0.778 18.079 19.000 -0.237 0.000 0.822 191 A HN 0.654 nan 8.150 nan 0.000 0.444 192 R N -0.772 119.680 120.500 -0.081 0.000 2.073 192 R HA -0.106 4.233 4.340 -0.001 0.000 0.234 192 R C 2.407 178.634 176.300 -0.121 0.000 1.134 192 R CA 1.289 57.357 56.100 -0.054 0.000 0.952 192 R CB -0.534 29.729 30.300 -0.063 0.000 0.850 192 R HN 0.511 nan 8.270 nan 0.000 0.433 193 A N 1.086 123.807 122.820 -0.166 0.000 2.125 193 A HA -0.096 4.224 4.320 -0.001 0.000 0.219 193 A C 1.427 178.754 177.584 -0.429 0.000 1.156 193 A CA 1.067 52.962 52.037 -0.236 0.000 0.671 193 A CB -0.231 18.665 19.000 -0.174 0.000 0.794 193 A HN 0.274 nan 8.150 nan 0.000 0.459 194 N N -0.776 117.741 118.700 -0.305 0.000 2.268 194 N HA 0.082 4.822 4.740 -0.001 0.000 0.204 194 N C -0.797 174.544 175.510 -0.282 0.000 1.124 194 N CA 0.298 53.208 53.050 -0.234 0.000 0.838 194 N CB -0.058 38.510 38.487 0.136 0.000 0.994 194 N HN 0.682 nan 8.380 nan 0.000 0.489 195 H N -2.056 117.009 119.070 -0.009 0.000 2.931 195 H HA -0.174 4.382 4.556 -0.001 0.000 0.290 195 H C -1.083 174.077 175.328 -0.280 0.000 1.264 195 H CA 0.513 56.477 56.048 -0.139 0.000 1.140 195 H CB -2.297 27.352 29.762 -0.189 0.000 1.343 195 H HN 0.260 nan 8.280 nan 0.000 0.403 196 Y N -0.672 119.663 120.300 0.058 0.000 2.562 196 Y HA 0.278 4.828 4.550 -0.001 0.000 0.343 196 Y C 1.584 177.493 175.900 0.015 0.000 1.025 196 Y CA -0.966 57.171 58.100 0.063 0.000 1.082 196 Y CB 1.206 39.731 38.460 0.109 0.000 1.264 196 Y HN 0.062 nan 8.280 nan 0.000 0.478 197 E N 0.756 121.063 120.200 0.180 0.000 2.047 197 E HA -0.088 4.262 4.350 -0.001 0.000 0.191 197 E C -0.657 175.978 176.600 0.058 0.000 0.987 197 E CA 1.718 58.170 56.400 0.086 0.000 0.799 197 E CB 0.116 29.856 29.700 0.066 0.000 0.752 197 E HN 0.737 nan 8.360 nan 0.000 0.449 198 D N -3.392 117.042 120.400 0.057 0.000 2.665 198 D HA -0.011 4.628 4.640 -0.001 0.000 0.287 198 D C 0.013 176.247 176.300 -0.111 0.000 1.266 198 D CA -0.769 53.222 54.000 -0.014 0.000 0.830 198 D CB -0.120 40.706 40.800 0.044 0.000 1.356 198 D HN -0.195 nan 8.370 nan 0.000 0.437 199 Y N 0.738 120.721 120.300 -0.528 0.000 2.193 199 Y HA -0.014 4.536 4.550 -0.001 0.000 0.285 199 Y C 2.139 177.523 175.900 -0.861 0.000 1.166 199 Y CA 2.468 60.008 58.100 -0.932 0.000 1.181 199 Y CB -0.631 36.886 38.460 -1.572 0.000 0.976 199 Y HN 0.620 nan 8.280 nan 0.000 0.520 200 G N -0.926 107.559 108.800 -0.524 0.000 2.408 200 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.217 200 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.217 200 G C 1.369 176.252 174.900 -0.029 0.000 1.150 200 G CA 0.974 46.054 45.100 -0.034 0.000 0.776 200 G HN 0.471 nan 8.290 nan 0.000 0.542 201 D N -0.723 119.642 120.400 -0.058 0.000 2.144 201 D HA -0.179 4.461 4.640 -0.001 0.000 0.199 201 D C 1.966 178.249 176.300 -0.027 0.000 0.984 201 D CA 0.663 54.661 54.000 -0.003 0.000 0.834 201 D CB -0.309 40.545 40.800 0.090 0.000 0.955 201 D HN 0.311 nan 8.370 nan 0.000 0.465 202 Y N -0.212 119.848 120.300 -0.400 0.000 2.128 202 Y HA -0.216 4.334 4.550 -0.001 0.000 0.284 202 Y C 1.813 177.502 175.900 -0.352 0.000 1.154 202 Y CA 1.926 59.537 58.100 -0.816 0.000 1.149 202 Y CB -0.425 37.587 38.460 -0.746 0.000 0.976 202 Y HN 0.079 nan 8.280 nan 0.000 0.505 203 W N 0.764 121.915 121.300 -0.249 0.000 2.358 203 W HA -0.095 4.565 4.660 -0.001 0.000 0.303 203 W C 2.404 178.916 176.519 -0.011 0.000 1.208 203 W CA 1.509 58.758 57.345 -0.160 0.000 1.274 203 W CB -0.975 28.482 29.460 -0.005 0.000 1.138 203 W HN 0.101 nan 8.180 nan 0.000 0.515 204 R N -0.216 120.463 120.500 0.298 0.000 2.293 204 R HA -0.049 4.291 4.340 -0.001 0.000 0.219 204 R C 2.314 178.782 176.300 0.279 0.000 1.091 204 R CA 0.927 57.219 56.100 0.320 0.000 1.004 204 R CB -0.931 29.444 30.300 0.124 0.000 0.865 204 R HN 0.146 nan 8.270 nan 0.000 0.469 205 G N 1.041 109.909 108.800 0.113 0.000 2.501 205 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.220 205 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.220 205 G C 0.887 175.827 174.900 0.066 0.000 1.114 205 G CA 0.948 46.105 45.100 0.096 0.000 0.757 205 G HN 0.335 nan 8.290 nan 0.000 0.559 206 D N -1.141 119.258 120.400 -0.002 0.000 2.269 206 D HA -0.055 4.585 4.640 -0.001 0.000 0.208 206 D C 1.567 177.696 176.300 -0.285 0.000 0.963 206 D CA 0.576 54.457 54.000 -0.197 0.000 0.864 206 D CB -0.037 40.532 40.800 -0.384 0.000 0.936 206 D HN 0.479 nan 8.370 nan 0.000 0.505 207 Y N 0.254 120.611 120.300 0.094 0.000 2.478 207 Y HA 0.228 4.778 4.550 -0.001 0.000 0.261 207 Y C 0.588 176.796 175.900 0.514 0.000 1.127 207 Y CA -0.208 57.992 58.100 0.167 0.000 1.288 207 Y CB -0.081 38.418 38.460 0.064 0.000 1.084 207 Y HN -0.066 nan 8.280 nan 0.000 0.530 208 E N 1.876 122.366 120.200 0.483 0.000 2.376 208 E HA 0.281 4.630 4.350 -0.001 0.000 0.266 208 E C -0.936 175.849 176.600 0.308 0.000 1.009 208 E CA -0.277 56.374 56.400 0.418 0.000 0.902 208 E CB 0.867 30.739 29.700 0.286 0.000 0.972 208 E HN 0.024 nan 8.360 nan 0.000 0.439 209 V N 3.839 123.921 119.914 0.278 0.000 2.686 209 V HA 0.557 4.676 4.120 -0.001 0.000 0.306 209 V C -1.429 174.735 176.094 0.117 0.000 1.065 209 V CA -0.531 61.861 62.300 0.154 0.000 0.894 209 V CB 1.625 33.497 31.823 0.082 0.000 1.004 209 V HN 0.903 nan 8.190 nan 0.000 0.424 210 N N 3.352 122.097 118.700 0.076 0.000 2.629 210 N HA 0.714 5.454 4.740 -0.001 0.000 0.279 210 N C 0.522 176.053 175.510 0.035 0.000 1.344 210 N CA -0.535 52.547 53.050 0.054 0.000 0.789 210 N CB 1.982 40.495 38.487 0.044 0.000 1.508 210 N HN 1.437 nan 8.380 nan 0.000 0.516 211 G N -0.330 108.485 108.800 0.026 0.000 2.258 211 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.274 211 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.274 211 G C -0.584 174.332 174.900 0.027 0.000 1.021 211 G CA 0.248 45.359 45.100 0.019 0.000 0.798 211 G HN 0.325 nan 8.290 nan 0.000 0.507 212 V N 0.973 120.912 119.914 0.043 0.000 2.439 212 V HA 0.219 4.338 4.120 -0.001 0.000 0.277 212 V C -0.224 175.921 176.094 0.086 0.000 1.008 212 V CA -1.453 60.890 62.300 0.071 0.000 0.846 212 V CB 1.459 33.333 31.823 0.086 0.000 1.031 212 V HN 0.316 nan 8.190 nan 0.000 0.441 213 D N 3.990 124.423 120.400 0.054 0.000 2.520 213 D HA 0.273 4.912 4.640 -0.001 0.000 0.243 213 D C 1.304 177.583 176.300 -0.036 0.000 1.160 213 D CA 1.832 55.838 54.000 0.010 0.000 0.877 213 D CB 1.370 42.170 40.800 0.000 0.000 1.150 213 D HN 0.993 nan 8.370 nan 0.000 0.494 214 G N 2.482 111.207 108.800 -0.125 0.000 2.195 214 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.246 214 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.246 214 G C 0.415 174.957 174.900 -0.597 0.000 0.984 214 G CA -0.105 44.782 45.100 -0.357 0.000 0.633 214 G HN 0.533 nan 8.290 nan 0.000 0.525 215 Y N 0.825 121.095 120.300 -0.050 0.000 2.728 215 Y HA 0.342 4.892 4.550 -0.001 0.000 0.256 215 Y C 0.811 176.666 175.900 -0.076 0.000 1.112 215 Y CA -0.833 57.211 58.100 -0.092 0.000 1.240 215 Y CB 0.531 38.918 38.460 -0.121 0.000 1.337 215 Y HN 0.099 nan 8.280 nan 0.000 0.559 216 D N 0.536 120.985 120.400 0.081 0.000 2.378 216 D HA 0.074 4.713 4.640 -0.001 0.000 0.238 216 D C -0.928 175.465 176.300 0.155 0.000 1.180 216 D CA 0.988 55.042 54.000 0.091 0.000 0.895 216 D CB 0.584 41.413 40.800 0.049 0.000 1.192 216 D HN 0.170 nan 8.370 nan 0.000 0.438 217 Y N -0.016 120.312 120.300 0.046 0.000 2.390 217 Y HA 0.221 4.770 4.550 -0.001 0.000 0.324 217 Y C -0.523 175.461 175.900 0.141 0.000 1.151 217 Y CA -0.612 57.550 58.100 0.104 0.000 1.053 217 Y CB 1.391 39.955 38.460 0.173 0.000 1.277 217 Y HN 0.303 nan 8.280 nan 0.000 0.432 218 S N 4.052 119.622 115.700 -0.215 0.000 2.632 218 S HA 0.420 4.890 4.470 -0.001 0.000 0.271 218 S C 1.030 175.643 174.600 0.021 0.000 1.260 218 S CA -0.460 57.695 58.200 -0.075 0.000 1.010 218 S CB 1.049 64.166 63.200 -0.138 0.000 0.965 218 S HN 0.911 nan 8.310 nan 0.000 0.534 219 R N 1.914 122.469 120.500 0.091 0.000 2.073 219 R HA -0.001 4.339 4.340 -0.001 0.000 0.229 219 R C 2.283 178.582 176.300 -0.001 0.000 1.120 219 R CA 1.223 57.398 56.100 0.125 0.000 0.967 219 R CB -0.855 29.522 30.300 0.129 0.000 0.862 219 R HN 0.786 nan 8.270 nan 0.000 0.436 220 G N 0.632 109.398 108.800 -0.056 0.000 2.484 220 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.218 220 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.218 220 G C 1.274 176.105 174.900 -0.116 0.000 1.130 220 G CA 0.018 45.054 45.100 -0.106 0.000 0.784 220 G HN 0.317 nan 8.290 nan 0.000 0.543 221 Q N -0.542 119.162 119.800 -0.161 0.000 2.291 221 Q HA -0.023 4.317 4.340 -0.001 0.000 0.205 221 Q C 2.283 178.238 176.000 -0.075 0.000 0.970 221 Q CA 0.665 56.321 55.803 -0.245 0.000 0.876 221 Q CB -0.133 28.226 28.738 -0.632 0.000 0.935 221 Q HN 0.436 nan 8.270 nan 0.000 0.455 222 L N 0.397 121.660 121.223 0.066 0.000 2.027 222 L HA -0.138 4.202 4.340 -0.001 0.000 0.206 222 L C 1.922 178.814 176.870 0.037 0.000 1.074 222 L CA 1.591 56.532 54.840 0.169 0.000 0.745 222 L CB -0.343 41.752 42.059 0.059 0.000 0.898 222 L HN 0.283 nan 8.230 nan 0.000 0.433 223 I N 0.225 120.731 120.570 -0.107 0.000 2.264 223 I HA -0.308 3.862 4.170 -0.001 0.000 0.248 223 I C 2.461 178.611 176.117 0.054 0.000 1.111 223 I CA 1.900 63.158 61.300 -0.070 0.000 1.382 223 I CB -0.641 37.248 38.000 -0.185 0.000 1.060 223 I HN 0.518 nan 8.210 nan 0.000 0.418 224 E N 0.576 120.796 120.200 0.033 0.000 2.230 224 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 224 E C 1.172 177.836 176.600 0.107 0.000 0.987 224 E CA 0.863 57.302 56.400 0.066 0.000 0.841 224 E CB -0.204 29.518 29.700 0.037 0.000 0.783 224 E HN 0.442 nan 8.360 nan 0.000 0.481 225 D N 1.230 121.703 120.400 0.123 0.000 2.224 225 D HA -0.061 4.579 4.640 -0.001 0.000 0.205 225 D C 2.147 178.555 176.300 0.180 0.000 0.965 225 D CA 0.630 54.736 54.000 0.176 0.000 0.852 225 D CB 0.220 41.178 40.800 0.265 0.000 0.947 225 D HN 0.093 nan 8.370 nan 0.000 0.494 226 V N 1.592 121.559 119.914 0.089 0.000 2.244 226 V HA -0.209 3.911 4.120 -0.001 0.000 0.244 226 V C 2.292 178.283 176.094 -0.172 0.000 1.042 226 V CA 1.613 63.859 62.300 -0.090 0.000 1.006 226 V CB -0.391 31.323 31.823 -0.181 0.000 0.641 226 V HN 0.168 nan 8.190 nan 0.000 0.446 227 E N -0.683 119.436 120.200 -0.134 0.000 2.110 227 E HA -0.267 4.083 4.350 -0.001 0.000 0.193 227 E C 2.195 178.827 176.600 0.053 0.000 0.988 227 E CA 1.380 57.707 56.400 -0.122 0.000 0.804 227 E CB -0.298 29.414 29.700 0.019 0.000 0.745 227 E HN 0.694 nan 8.360 nan 0.000 0.458 228 H N 0.600 119.688 119.070 0.031 0.000 2.363 228 H HA -0.058 4.498 4.556 -0.000 0.000 0.301 228 H C 2.173 177.543 175.328 0.069 0.000 1.074 228 H CA 1.823 57.904 56.048 0.055 0.000 1.354 228 H CB 0.084 29.885 29.762 0.065 0.000 1.397 228 H HN 0.085 nan 8.280 nan 0.000 0.516 229 T N -0.064 114.648 114.554 0.264 0.000 2.904 229 T HA -0.146 4.204 4.350 -0.001 0.000 0.267 229 T C 1.789 176.580 174.700 0.152 0.000 1.059 229 T CA 1.016 63.252 62.100 0.227 0.000 1.137 229 T CB -0.640 68.421 68.868 0.323 0.000 0.879 229 T HN 0.275 nan 8.240 nan 0.000 0.467 230 F N 2.146 122.092 119.950 -0.005 0.000 2.171 230 F HA 0.028 4.555 4.527 -0.001 0.000 0.300 230 F C 2.281 178.047 175.800 -0.057 0.000 1.090 230 F CA 1.287 59.257 58.000 -0.050 0.000 1.293 230 F CB -0.334 38.461 39.000 -0.342 0.000 1.013 230 F HN 0.130 nan 8.300 nan 0.000 0.486 231 E N 0.569 120.651 120.200 -0.197 0.000 2.097 231 E HA -0.254 4.096 4.350 -0.001 0.000 0.196 231 E C 2.112 178.556 176.600 -0.259 0.000 1.000 231 E CA 1.698 57.951 56.400 -0.245 0.000 0.804 231 E CB -0.475 29.123 29.700 -0.170 0.000 0.740 231 E HN 0.606 nan 8.360 nan 0.000 0.454 232 E N -0.065 120.002 120.200 -0.221 0.000 2.338 232 E HA -0.089 4.261 4.350 -0.001 0.000 0.197 232 E C 1.870 178.361 176.600 -0.182 0.000 1.007 232 E CA 0.071 56.369 56.400 -0.170 0.000 0.849 232 E CB 0.122 29.751 29.700 -0.118 0.000 0.774 232 E HN 0.133 nan 8.360 nan 0.000 0.506 233 I N 0.823 121.251 120.570 -0.237 0.000 3.030 233 I HA -0.121 4.048 4.170 -0.001 0.000 0.270 233 I C 1.648 177.623 176.117 -0.237 0.000 1.211 233 I CA 0.782 61.946 61.300 -0.226 0.000 1.479 233 I CB -0.097 37.802 38.000 -0.168 0.000 1.105 233 I HN 0.019 nan 8.210 nan 0.000 0.447 234 K N 1.021 121.215 120.400 -0.343 0.000 2.059 234 K HA -0.199 4.121 4.320 -0.001 0.000 0.212 234 K C -0.490 176.108 176.600 -0.004 0.000 1.050 234 K CA 1.915 58.088 56.287 -0.191 0.000 0.927 234 K CB -1.272 31.087 32.500 -0.236 0.000 0.714 234 K HN 0.308 nan 8.250 nan 0.000 0.447 235 P HA -0.175 nan 4.420 nan 0.000 0.215 235 P C 1.367 178.816 177.300 0.249 0.000 1.153 235 P CA 0.863 64.045 63.100 0.137 0.000 0.853 235 P CB 0.058 31.852 31.700 0.156 0.000 0.788 236 L N -1.479 119.707 121.223 -0.062 0.000 2.017 236 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 236 L C 2.368 179.341 176.870 0.172 0.000 1.073 236 L CA 1.870 56.657 54.840 -0.088 0.000 0.745 236 L CB -1.624 40.220 42.059 -0.358 0.000 0.894 236 L HN -0.084 nan 8.230 nan 0.000 0.432 237 Y N 0.832 121.154 120.300 0.038 0.000 2.145 237 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 237 Y C 2.439 178.520 175.900 0.302 0.000 1.145 237 Y CA 2.211 60.391 58.100 0.134 0.000 1.148 237 Y CB -0.387 38.140 38.460 0.112 0.000 0.981 237 Y HN 0.400 nan 8.280 nan 0.000 0.507 238 E N -1.101 119.196 120.200 0.163 0.000 2.097 238 E HA -0.282 4.068 4.350 -0.001 0.000 0.196 238 E C 2.054 178.680 176.600 0.044 0.000 1.000 238 E CA 1.464 57.908 56.400 0.074 0.000 0.804 238 E CB -0.340 29.303 29.700 -0.095 0.000 0.740 238 E HN 0.639 nan 8.360 nan 0.000 0.454 239 H N 0.037 119.206 119.070 0.166 0.000 2.428 239 H HA -0.020 4.536 4.556 -0.001 0.000 0.296 239 H C 2.214 177.677 175.328 0.225 0.000 1.062 239 H CA 0.641 56.801 56.048 0.186 0.000 1.350 239 H CB 0.077 29.976 29.762 0.228 0.000 1.403 239 H HN 0.158 nan 8.280 nan 0.000 0.533 240 L N 0.792 122.203 121.223 0.314 0.000 2.072 240 L HA -0.160 4.179 4.340 -0.001 0.000 0.205 240 L C 2.474 179.560 176.870 0.360 0.000 1.079 240 L CA 1.560 56.591 54.840 0.320 0.000 0.752 240 L CB -0.673 41.523 42.059 0.229 0.000 0.906 240 L HN 0.328 nan 8.230 nan 0.000 0.436 241 H N 0.447 119.575 119.070 0.098 0.000 2.321 241 H HA -0.134 4.422 4.556 -0.001 0.000 0.300 241 H C 1.922 177.314 175.328 0.107 0.000 1.087 241 H CA 1.802 57.904 56.048 0.089 0.000 1.319 241 H CB 0.220 29.938 29.762 -0.073 0.000 1.379 241 H HN 0.414 nan 8.280 nan 0.000 0.501 242 A N 0.126 123.163 122.820 0.363 0.000 1.930 242 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 242 A C 2.382 180.066 177.584 0.167 0.000 1.175 242 A CA 1.346 53.536 52.037 0.255 0.000 0.627 242 A CB -1.103 17.987 19.000 0.150 0.000 0.815 242 A HN 0.624 nan 8.150 nan 0.000 0.443 243 Y N 0.612 120.969 120.300 0.094 0.000 2.220 243 Y HA -0.104 4.446 4.550 -0.000 0.000 0.291 243 Y C 2.398 178.313 175.900 0.024 0.000 1.129 243 Y CA 2.002 60.140 58.100 0.063 0.000 1.161 243 Y CB -0.190 38.344 38.460 0.123 0.000 0.997 243 Y HN 0.190 nan 8.280 nan 0.000 0.522 244 V N 0.814 120.725 119.914 -0.006 0.000 2.591 244 V HA -0.129 3.991 4.120 -0.001 0.000 0.249 244 V C 2.341 178.261 176.094 -0.289 0.000 1.053 244 V CA 1.862 64.039 62.300 -0.204 0.000 1.068 244 V CB -0.868 30.878 31.823 -0.129 0.000 0.689 244 V HN 0.462 nan 8.190 nan 0.000 0.462 245 R N 1.891 122.232 120.500 -0.266 0.000 2.127 245 R HA 0.041 4.381 4.340 -0.001 0.000 0.238 245 R C 2.060 178.252 176.300 -0.180 0.000 1.134 245 R CA 2.151 58.100 56.100 -0.252 0.000 0.975 245 R CB -1.016 29.165 30.300 -0.198 0.000 0.865 245 R HN 0.514 nan 8.270 nan 0.000 0.447 246 A N 0.780 123.494 122.820 -0.176 0.000 1.970 246 A HA 0.023 4.342 4.320 -0.001 0.000 0.216 246 A C 1.761 179.218 177.584 -0.211 0.000 1.170 246 A CA 0.941 52.878 52.037 -0.167 0.000 0.645 246 A CB -0.197 18.715 19.000 -0.147 0.000 0.816 246 A HN 0.203 nan 8.150 nan 0.000 0.447 247 K N -0.048 120.170 120.400 -0.304 0.000 2.103 247 K HA 0.085 4.404 4.320 -0.001 0.000 0.204 247 K C 1.748 178.235 176.600 -0.189 0.000 1.052 247 K CA 0.798 56.912 56.287 -0.287 0.000 0.945 247 K CB -0.479 31.790 32.500 -0.385 0.000 0.722 247 K HN 0.515 nan 8.250 nan 0.000 0.443 248 L N 0.387 121.514 121.223 -0.160 0.000 2.275 248 L HA -0.044 4.295 4.340 -0.001 0.000 0.215 248 L C 2.430 179.313 176.870 0.021 0.000 1.119 248 L CA 0.598 55.410 54.840 -0.046 0.000 0.790 248 L CB -0.289 41.742 42.059 -0.046 0.000 0.919 248 L HN 0.164 nan 8.230 nan 0.000 0.443 249 M N -0.590 118.981 119.600 -0.049 0.000 2.175 249 M HA -0.149 4.331 4.480 -0.001 0.000 0.264 249 M C 1.817 178.093 176.300 -0.039 0.000 1.063 249 M CA 1.363 56.648 55.300 -0.026 0.000 1.119 249 M CB -0.309 32.246 32.600 -0.074 0.000 1.377 249 M HN 0.281 nan 8.290 nan 0.000 0.415 250 N N 0.801 119.449 118.700 -0.086 0.000 2.188 250 N HA -0.046 4.694 4.740 -0.001 0.000 0.184 250 N C 1.654 177.087 175.510 -0.128 0.000 1.018 250 N CA 1.547 54.537 53.050 -0.099 0.000 0.858 250 N CB -0.362 38.057 38.487 -0.113 0.000 0.989 250 N HN 0.309 nan 8.380 nan 0.000 0.426 251 A N -0.398 122.310 122.820 -0.187 0.000 2.014 251 A HA -0.029 4.291 4.320 -0.001 0.000 0.218 251 A C 0.096 177.351 177.584 -0.547 0.000 1.163 251 A CA 0.888 52.688 52.037 -0.396 0.000 0.652 251 A CB -0.217 18.467 19.000 -0.528 0.000 0.808 251 A HN 0.289 nan 8.150 nan 0.000 0.449 252 Y N -0.634 119.696 120.300 0.049 0.000 2.470 252 Y HA 0.331 4.880 4.550 -0.001 0.000 0.352 252 Y C -2.714 173.271 175.900 0.142 0.000 0.967 252 Y CA -3.439 54.773 58.100 0.187 0.000 1.121 252 Y CB 0.010 38.608 38.460 0.230 0.000 1.149 252 Y HN 0.090 nan 8.280 nan 0.000 0.641 253 P HA -0.051 nan 4.420 nan 0.000 0.259 253 P C 0.622 177.840 177.300 -0.136 0.000 1.163 253 P CA 1.309 64.395 63.100 -0.024 0.000 0.760 253 P CB 0.626 32.291 31.700 -0.057 0.000 0.762 254 S N 0.039 115.662 115.700 -0.128 0.000 3.228 254 S HA -0.238 4.231 4.470 -0.001 0.000 0.282 254 S C 0.645 175.111 174.600 -0.222 0.000 1.286 254 S CA 1.064 59.146 58.200 -0.196 0.000 1.066 254 S CB -2.403 60.636 63.200 -0.269 0.000 1.277 254 S HN 0.598 nan 8.310 nan 0.000 0.661 255 Y N -0.181 120.098 120.300 -0.034 0.000 2.462 255 Y HA 0.475 5.025 4.550 -0.000 0.000 0.253 255 Y C 0.848 176.820 175.900 0.121 0.000 1.095 255 Y CA -0.057 58.017 58.100 -0.042 0.000 1.283 255 Y CB 0.630 38.985 38.460 -0.176 0.000 1.138 255 Y HN 0.302 nan 8.280 nan 0.000 0.522 256 I N -0.686 119.969 120.570 0.141 0.000 2.545 256 I HA 0.201 4.370 4.170 -0.001 0.000 0.292 256 I C -0.206 175.670 176.117 -0.401 0.000 1.040 256 I CA -0.893 60.341 61.300 -0.110 0.000 1.068 256 I CB 2.005 39.957 38.000 -0.079 0.000 1.251 256 I HN -0.238 nan 8.210 nan 0.000 0.424 257 S N 5.578 120.685 115.700 -0.988 0.000 2.565 257 S HA 0.325 4.795 4.470 -0.001 0.000 0.276 257 S C -1.728 172.557 174.600 -0.526 0.000 1.326 257 S CA -1.135 56.539 58.200 -0.876 0.000 1.045 257 S CB 1.063 63.332 63.200 -1.551 0.000 0.918 257 S HN 0.372 nan 8.310 nan 0.000 0.505 258 P HA 0.030 nan 4.420 nan 0.000 0.225 258 P C 0.782 177.974 177.300 -0.180 0.000 1.148 258 P CA 0.862 63.840 63.100 -0.202 0.000 0.779 258 P CB -0.113 31.492 31.700 -0.159 0.000 0.780 259 I N -6.484 113.888 120.570 -0.329 0.000 4.154 259 I HA 0.445 4.615 4.170 -0.001 0.000 0.334 259 I C 0.785 176.811 176.117 -0.151 0.000 1.371 259 I CA -0.407 60.657 61.300 -0.393 0.000 1.110 259 I CB 0.302 37.815 38.000 -0.813 0.000 1.085 259 I HN -0.290 nan 8.210 nan 0.000 0.398 260 G N 0.652 109.305 108.800 -0.244 0.000 2.522 260 G HA2 0.425 4.384 3.960 -0.001 0.000 0.304 260 G HA3 0.425 4.384 3.960 -0.001 0.000 0.304 260 G C -0.414 174.566 174.900 0.133 0.000 1.210 260 G CA -0.397 44.652 45.100 -0.085 0.000 0.960 260 G HN 0.291 nan 8.290 nan 0.000 0.497 261 C N -0.749 118.717 119.300 0.278 0.000 2.705 261 C HA 0.260 4.720 4.460 -0.001 0.000 0.382 261 C C 0.894 175.980 174.990 0.159 0.000 1.322 261 C CA -0.421 58.712 59.018 0.191 0.000 2.290 261 C CB -0.438 27.382 27.740 0.133 0.000 2.650 261 C HN 0.454 nan 8.230 nan 0.000 0.695 262 L N 3.327 124.572 121.223 0.036 0.000 2.331 262 L HA 0.260 4.599 4.340 -0.001 0.000 0.278 262 L C -2.136 174.724 176.870 -0.017 0.000 1.106 262 L CA -1.285 53.504 54.840 -0.084 0.000 0.824 262 L CB 0.241 42.131 42.059 -0.282 0.000 1.142 262 L HN 0.368 nan 8.230 nan 0.000 0.443 263 P HA 0.013 nan 4.420 nan 0.000 0.267 263 P C 0.228 177.394 177.300 -0.222 0.000 1.205 263 P CA 0.021 63.067 63.100 -0.089 0.000 0.765 263 P CB 1.175 32.835 31.700 -0.067 0.000 0.828 264 A N 4.225 126.912 122.820 -0.222 0.000 1.997 264 A HA -0.238 4.082 4.320 -0.001 0.000 0.221 264 A C 1.620 179.005 177.584 -0.332 0.000 1.172 264 A CA 1.798 53.732 52.037 -0.172 0.000 0.645 264 A CB -1.371 17.572 19.000 -0.095 0.000 0.813 264 A HN 0.749 nan 8.150 nan 0.000 0.454 265 H N -1.219 117.355 119.070 -0.828 0.000 2.539 265 H HA 0.288 4.844 4.556 -0.001 0.000 0.267 265 H C 0.807 175.888 175.328 -0.411 0.000 0.982 265 H CA 0.409 56.075 56.048 -0.638 0.000 1.146 265 H CB -0.505 28.805 29.762 -0.754 0.000 1.382 265 H HN 0.462 nan 8.280 nan 0.000 0.577 266 L N 1.098 121.886 121.223 -0.726 0.000 2.965 266 L HA 0.243 4.582 4.340 -0.001 0.000 0.254 266 L C 0.938 177.617 176.870 -0.320 0.000 1.220 266 L CA -0.017 54.445 54.840 -0.629 0.000 1.023 266 L CB 0.322 41.870 42.059 -0.852 0.000 1.355 266 L HN 0.111 nan 8.230 nan 0.000 0.545 267 L N -0.388 120.710 121.223 -0.207 0.000 2.607 267 L HA 0.374 4.714 4.340 -0.001 0.000 0.228 267 L C 1.498 178.369 176.870 0.002 0.000 1.123 267 L CA 0.546 55.286 54.840 -0.166 0.000 0.890 267 L CB 0.191 42.203 42.059 -0.077 0.000 1.103 267 L HN 0.417 nan 8.230 nan 0.000 0.468 268 G N 0.399 109.215 108.800 0.028 0.000 2.238 268 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 268 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 268 G C -0.148 174.819 174.900 0.112 0.000 0.996 268 G CA 0.161 45.317 45.100 0.093 0.000 0.632 268 G HN 0.508 nan 8.290 nan 0.000 0.503 269 D N -2.049 118.418 120.400 0.112 0.000 2.677 269 D HA 0.580 5.220 4.640 -0.001 0.000 0.298 269 D C 0.953 177.220 176.300 -0.056 0.000 1.250 269 D CA -0.392 53.651 54.000 0.072 0.000 0.888 269 D CB -0.044 40.891 40.800 0.226 0.000 1.397 269 D HN 0.086 nan 8.370 nan 0.000 0.461 270 M N -0.378 118.974 119.600 -0.413 0.000 2.539 270 M HA 0.154 4.633 4.480 -0.001 0.000 0.261 270 M C -0.155 175.773 176.300 -0.621 0.000 1.069 270 M CA 1.436 56.246 55.300 -0.816 0.000 1.081 270 M CB -0.263 31.306 32.600 -1.719 0.000 1.412 270 M HN 0.556 nan 8.290 nan 0.000 0.482 271 W N -2.343 119.104 121.300 0.245 0.000 2.520 271 W HA 0.474 5.134 4.660 -0.000 0.000 0.272 271 W C 1.111 177.835 176.519 0.343 0.000 0.984 271 W CA 0.296 57.860 57.345 0.365 0.000 1.314 271 W CB -0.327 29.326 29.460 0.322 0.000 0.945 271 W HN 0.288 nan 8.180 nan 0.000 0.596 272 G N 1.942 110.970 108.800 0.380 0.000 2.132 272 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.228 272 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.228 272 G C 1.013 175.860 174.900 -0.089 0.000 1.000 272 G CA 0.486 45.795 45.100 0.348 0.000 0.693 272 G HN 0.247 nan 8.290 nan 0.000 0.515 273 R N -0.922 119.241 120.500 -0.561 0.000 2.081 273 R HA 0.192 4.532 4.340 -0.001 0.000 0.235 273 R C 0.350 176.070 176.300 -0.966 0.000 1.131 273 R CA 1.239 56.475 56.100 -1.439 0.000 0.960 273 R CB -0.038 29.541 30.300 -1.203 0.000 0.856 273 R HN 0.413 nan 8.270 nan 0.000 0.436 274 F N -2.475 117.425 119.950 -0.083 0.000 2.576 274 F HA 0.255 4.782 4.527 -0.001 0.000 0.313 274 F C -0.378 175.582 175.800 0.266 0.000 1.078 274 F CA -1.250 56.749 58.000 -0.002 0.000 0.921 274 F CB 1.330 40.337 39.000 0.012 0.000 1.232 274 F HN -0.081 nan 8.300 nan 0.000 0.459 275 W N 0.962 122.409 121.300 0.245 0.000 3.239 275 W HA 0.155 4.815 4.660 -0.000 0.000 0.368 275 W C 1.529 178.147 176.519 0.165 0.000 1.154 275 W CA -0.638 56.812 57.345 0.174 0.000 1.860 275 W CB -1.380 28.175 29.460 0.160 0.000 1.094 275 W HN 0.454 nan 8.180 nan 0.000 0.643 276 T N 0.702 115.471 114.554 0.357 0.000 2.620 276 T HA -0.329 4.020 4.350 -0.001 0.000 0.267 276 T C 1.322 176.149 174.700 0.211 0.000 1.044 276 T CA 2.235 64.460 62.100 0.208 0.000 1.161 276 T CB -0.477 68.444 68.868 0.088 0.000 0.862 276 T HN 0.323 nan 8.240 nan 0.000 0.438 277 N N 0.587 119.408 118.700 0.202 0.000 2.571 277 N HA 0.051 4.790 4.740 -0.001 0.000 0.189 277 N C 0.633 176.241 175.510 0.163 0.000 1.154 277 N CA -0.104 53.045 53.050 0.165 0.000 0.907 277 N CB -0.092 38.472 38.487 0.128 0.000 0.977 277 N HN 0.126 nan 8.380 nan 0.000 0.449 278 L N -0.120 121.218 121.223 0.191 0.000 2.612 278 L HA 0.061 4.401 4.340 -0.001 0.000 0.230 278 L C 1.218 178.191 176.870 0.172 0.000 1.140 278 L CA 0.439 55.357 54.840 0.130 0.000 0.896 278 L CB -0.939 41.169 42.059 0.082 0.000 1.065 278 L HN 0.227 nan 8.230 nan 0.000 0.447 279 Y N -0.153 120.202 120.300 0.092 0.000 2.181 279 Y HA -0.237 4.313 4.550 -0.000 0.000 0.288 279 Y C 2.561 178.501 175.900 0.067 0.000 1.146 279 Y CA 1.703 59.858 58.100 0.092 0.000 1.164 279 Y CB -0.037 38.477 38.460 0.090 0.000 0.982 279 Y HN 0.146 nan 8.280 nan 0.000 0.515 280 S N -0.143 115.570 115.700 0.021 0.000 2.419 280 S HA -0.117 4.353 4.470 -0.001 0.000 0.233 280 S C 1.539 176.072 174.600 -0.111 0.000 1.016 280 S CA 1.409 59.566 58.200 -0.071 0.000 0.974 280 S CB -0.284 62.923 63.200 0.011 0.000 0.786 280 S HN 0.318 nan 8.310 nan 0.000 0.492 281 L N 0.809 121.981 121.223 -0.085 0.000 2.529 281 L HA 0.174 4.514 4.340 -0.001 0.000 0.223 281 L C 2.069 178.861 176.870 -0.129 0.000 1.113 281 L CA 0.892 55.666 54.840 -0.109 0.000 0.861 281 L CB -0.811 41.189 42.059 -0.098 0.000 1.012 281 L HN 0.353 nan 8.230 nan 0.000 0.461 282 T N -5.549 108.935 114.554 -0.115 0.000 3.004 282 T HA 0.189 4.539 4.350 -0.001 0.000 0.266 282 T C 0.610 175.295 174.700 -0.025 0.000 0.986 282 T CA -0.125 61.935 62.100 -0.066 0.000 0.902 282 T CB -0.157 68.755 68.868 0.073 0.000 1.118 282 T HN -0.087 nan 8.240 nan 0.000 0.522 283 V N 4.648 124.393 119.914 -0.282 0.000 2.555 283 V HA 0.096 4.216 4.120 -0.001 0.000 0.299 283 V C -1.055 174.964 176.094 -0.125 0.000 1.012 283 V CA -0.992 61.086 62.300 -0.371 0.000 1.180 283 V CB 1.033 32.449 31.823 -0.679 0.000 0.887 283 V HN 0.196 nan 8.190 nan 0.000 0.476 284 P HA -0.097 nan 4.420 nan 0.000 0.216 284 P C -0.161 176.681 177.300 -0.764 0.000 1.154 284 P CA 1.637 64.565 63.100 -0.287 0.000 0.865 284 P CB 0.079 31.506 31.700 -0.457 0.000 0.789 285 F N -2.500 117.481 119.950 0.052 0.000 2.809 285 F HA 0.413 4.940 4.527 -0.000 0.000 0.369 285 F C 1.455 177.271 175.800 0.027 0.000 1.225 285 F CA -0.803 57.225 58.000 0.048 0.000 1.201 285 F CB 0.299 39.322 39.000 0.038 0.000 1.527 285 F HN -0.216 nan 8.300 nan 0.000 0.565 286 G N 0.597 109.446 108.800 0.081 0.000 2.527 286 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.219 286 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.219 286 G C 1.182 176.133 174.900 0.086 0.000 1.117 286 G CA 0.892 46.022 45.100 0.050 0.000 0.759 286 G HN 0.470 nan 8.290 nan 0.000 0.556 287 Q N 0.300 120.169 119.800 0.116 0.000 2.163 287 Q HA 0.169 4.509 4.340 -0.001 0.000 0.198 287 Q C 1.007 177.060 176.000 0.088 0.000 0.954 287 Q CA 0.512 56.369 55.803 0.090 0.000 0.851 287 Q CB -0.054 28.735 28.738 0.086 0.000 0.928 287 Q HN 0.099 nan 8.270 nan 0.000 0.459 288 K N 2.271 122.741 120.400 0.116 0.000 2.448 288 K HA 0.152 4.471 4.320 -0.001 0.000 0.278 288 K C -2.283 174.393 176.600 0.126 0.000 1.009 288 K CA -1.282 55.059 56.287 0.089 0.000 0.995 288 K CB -0.192 32.364 32.500 0.093 0.000 0.917 288 K HN 0.033 nan 8.250 nan 0.000 0.481 289 P HA 0.084 nan 4.420 nan 0.000 0.276 289 P C -0.457 176.998 177.300 0.258 0.000 1.243 289 P CA -0.333 62.876 63.100 0.181 0.000 0.768 289 P CB 0.368 32.184 31.700 0.194 0.000 0.856 290 N N 3.514 122.337 118.700 0.205 0.000 2.420 290 N HA 0.089 4.829 4.740 -0.001 0.000 0.262 290 N C -0.109 175.455 175.510 0.091 0.000 1.144 290 N CA -0.166 52.994 53.050 0.183 0.000 0.952 290 N CB -0.248 38.348 38.487 0.182 0.000 1.081 290 N HN 0.301 nan 8.380 nan 0.000 0.480 291 I N 2.358 122.930 120.570 0.003 0.000 3.015 291 I HA -0.126 4.044 4.170 -0.001 0.000 0.309 291 I C 0.061 176.078 176.117 -0.166 0.000 1.229 291 I CA 1.014 62.162 61.300 -0.254 0.000 1.430 291 I CB 0.004 37.752 38.000 -0.419 0.000 1.347 291 I HN 0.624 nan 8.210 nan 0.000 0.544 292 D N 6.304 126.595 120.400 -0.181 0.000 2.351 292 D HA 0.126 4.766 4.640 -0.001 0.000 0.235 292 D C 0.045 176.245 176.300 -0.166 0.000 1.331 292 D CA -0.416 53.504 54.000 -0.133 0.000 0.959 292 D CB 1.201 41.966 40.800 -0.059 0.000 1.432 292 D HN 0.159 nan 8.370 nan 0.000 0.544 293 V N 2.747 122.524 119.914 -0.229 0.000 3.592 293 V HA -0.030 4.089 4.120 -0.001 0.000 0.272 293 V C 2.270 178.212 176.094 -0.253 0.000 1.228 293 V CA 1.173 63.307 62.300 -0.276 0.000 1.173 293 V CB -0.456 31.130 31.823 -0.395 0.000 0.873 293 V HN 0.645 nan 8.190 nan 0.000 0.476 294 T N -0.201 114.251 114.554 -0.171 0.000 3.139 294 T HA -0.143 4.207 4.350 -0.001 0.000 0.267 294 T C 1.262 175.897 174.700 -0.108 0.000 1.164 294 T CA 1.489 63.514 62.100 -0.124 0.000 1.075 294 T CB -0.363 68.468 68.868 -0.062 0.000 0.904 294 T HN 0.619 nan 8.240 nan 0.000 0.540 295 D N -0.277 120.046 120.400 -0.128 0.000 2.514 295 D HA 0.245 4.884 4.640 -0.001 0.000 0.249 295 D C 2.183 178.401 176.300 -0.137 0.000 1.036 295 D CA 0.601 54.541 54.000 -0.100 0.000 0.911 295 D CB -0.051 40.707 40.800 -0.070 0.000 1.145 295 D HN 0.430 nan 8.370 nan 0.000 0.495 296 A N 0.950 123.653 122.820 -0.196 0.000 2.067 296 A HA -0.078 4.242 4.320 -0.001 0.000 0.219 296 A C 2.140 179.509 177.584 -0.358 0.000 1.158 296 A CA 0.942 52.834 52.037 -0.241 0.000 0.661 296 A CB -0.421 18.416 19.000 -0.271 0.000 0.801 296 A HN 0.100 nan 8.150 nan 0.000 0.452 297 M N -1.084 118.266 119.600 -0.418 0.000 2.123 297 M HA -0.094 4.386 4.480 -0.001 0.000 0.263 297 M C 2.082 178.257 176.300 -0.208 0.000 1.069 297 M CA 1.238 56.203 55.300 -0.558 0.000 1.133 297 M CB -0.351 32.004 32.600 -0.408 0.000 1.356 297 M HN 0.241 nan 8.290 nan 0.000 0.415 298 V N 0.620 120.473 119.914 -0.101 0.000 2.220 298 V HA -0.331 3.788 4.120 -0.001 0.000 0.246 298 V C 1.799 177.895 176.094 0.003 0.000 1.049 298 V CA 2.470 64.765 62.300 -0.009 0.000 1.003 298 V CB -0.855 30.961 31.823 -0.012 0.000 0.634 298 V HN 0.497 nan 8.190 nan 0.000 0.444 299 D N -0.743 119.637 120.400 -0.033 0.000 2.315 299 D HA -0.211 4.429 4.640 -0.001 0.000 0.211 299 D C 1.979 178.287 176.300 0.014 0.000 0.977 299 D CA 1.058 55.050 54.000 -0.014 0.000 0.894 299 D CB -0.016 40.763 40.800 -0.036 0.000 0.910 299 D HN 0.567 nan 8.370 nan 0.000 0.490 300 Q N -0.712 119.101 119.800 0.020 0.000 2.247 300 Q HA 0.344 4.684 4.340 -0.001 0.000 0.204 300 Q C 0.259 176.427 176.000 0.281 0.000 0.872 300 Q CA 0.307 56.190 55.803 0.133 0.000 0.951 300 Q CB 0.827 29.628 28.738 0.105 0.000 1.099 300 Q HN 0.300 nan 8.270 nan 0.000 0.501 301 A N 0.625 123.566 122.820 0.202 0.000 2.519 301 A HA -0.177 4.142 4.320 -0.001 0.000 0.297 301 A C -0.857 176.914 177.584 0.311 0.000 1.472 301 A CA 0.361 52.518 52.037 0.200 0.000 0.739 301 A CB -1.972 17.106 19.000 0.130 0.000 1.096 301 A HN 0.437 nan 8.150 nan 0.000 0.414 302 W N 0.177 121.496 121.300 0.032 0.000 2.381 302 W HA 0.569 5.228 4.660 -0.000 0.000 0.329 302 W C 0.453 177.016 176.519 0.073 0.000 1.157 302 W CA 0.256 57.634 57.345 0.054 0.000 1.240 302 W CB 1.045 30.535 29.460 0.050 0.000 1.199 302 W HN 0.734 nan 8.180 nan 0.000 0.579 303 D N -0.396 120.142 120.400 0.230 0.000 2.592 303 D HA 0.584 5.224 4.640 -0.001 0.000 0.263 303 D C 0.745 177.177 176.300 0.219 0.000 1.132 303 D CA -0.542 53.572 54.000 0.191 0.000 0.996 303 D CB 0.621 41.492 40.800 0.118 0.000 1.442 303 D HN 0.292 nan 8.370 nan 0.000 0.486 304 A N -0.162 122.801 122.820 0.238 0.000 1.896 304 A HA -0.312 4.008 4.320 -0.001 0.000 0.220 304 A C 1.979 179.810 177.584 0.412 0.000 1.206 304 A CA 1.914 54.157 52.037 0.344 0.000 0.647 304 A CB -1.021 18.150 19.000 0.284 0.000 0.828 304 A HN 0.587 nan 8.150 nan 0.000 0.455 305 Q N -1.122 118.837 119.800 0.265 0.000 2.061 305 Q HA -0.233 4.106 4.340 -0.001 0.000 0.204 305 Q C 2.246 178.360 176.000 0.190 0.000 0.984 305 Q CA 2.037 57.986 55.803 0.243 0.000 0.846 305 Q CB -0.457 28.321 28.738 0.067 0.000 0.902 305 Q HN 0.662 nan 8.270 nan 0.000 0.421 306 R N 0.909 121.428 120.500 0.032 0.000 2.092 306 R HA -0.012 4.328 4.340 -0.001 0.000 0.231 306 R C 2.170 178.421 176.300 -0.082 0.000 1.119 306 R CA 0.964 56.948 56.100 -0.193 0.000 0.970 306 R CB -0.588 29.382 30.300 -0.550 0.000 0.864 306 R HN 0.266 nan 8.270 nan 0.000 0.440 307 I N -0.395 120.271 120.570 0.161 0.000 2.127 307 I HA -0.279 3.891 4.170 -0.001 0.000 0.241 307 I C 1.628 177.809 176.117 0.106 0.000 1.075 307 I CA 1.555 63.019 61.300 0.274 0.000 1.334 307 I CB -0.281 37.888 38.000 0.282 0.000 1.040 307 I HN 0.111 nan 8.210 nan 0.000 0.405 308 F N 0.746 120.846 119.950 0.250 0.000 2.407 308 F HA -0.142 4.384 4.527 -0.001 0.000 0.299 308 F C 2.430 178.495 175.800 0.441 0.000 1.097 308 F CA 1.078 59.256 58.000 0.297 0.000 1.422 308 F CB -0.257 38.969 39.000 0.376 0.000 1.067 308 F HN -0.068 nan 8.300 nan 0.000 0.539 309 K N 0.385 121.110 120.400 0.542 0.000 2.167 309 K HA -0.136 4.184 4.320 -0.001 0.000 0.203 309 K C 1.938 178.673 176.600 0.226 0.000 1.052 309 K CA 1.015 57.530 56.287 0.380 0.000 0.956 309 K CB 0.018 32.568 32.500 0.083 0.000 0.735 309 K HN -0.034 nan 8.250 nan 0.000 0.451 310 E N -0.038 120.255 120.200 0.156 0.000 2.107 310 E HA 0.007 4.357 4.350 -0.001 0.000 0.191 310 E C 1.597 178.292 176.600 0.159 0.000 0.982 310 E CA 1.173 57.689 56.400 0.193 0.000 0.809 310 E CB -0.114 29.785 29.700 0.332 0.000 0.756 310 E HN 0.377 nan 8.360 nan 0.000 0.459 311 A N 0.711 123.476 122.820 -0.092 0.000 1.873 311 A HA -0.226 4.094 4.320 -0.001 0.000 0.215 311 A C 2.176 179.811 177.584 0.085 0.000 1.186 311 A CA 1.765 53.510 52.037 -0.487 0.000 0.616 311 A CB -0.661 17.899 19.000 -0.733 0.000 0.823 311 A HN 0.393 nan 8.150 nan 0.000 0.442 312 E N -0.045 120.305 120.200 0.249 0.000 2.118 312 E HA -0.267 4.082 4.350 -0.001 0.000 0.195 312 E C 2.032 178.800 176.600 0.280 0.000 0.992 312 E CA 1.611 58.216 56.400 0.341 0.000 0.804 312 E CB -0.154 29.789 29.700 0.404 0.000 0.741 312 E HN 0.627 nan 8.360 nan 0.000 0.458 313 K N -0.295 120.241 120.400 0.226 0.000 2.148 313 K HA -0.164 4.155 4.320 -0.001 0.000 0.204 313 K C 1.977 178.674 176.600 0.162 0.000 1.050 313 K CA 1.093 57.485 56.287 0.174 0.000 0.942 313 K CB -0.291 32.306 32.500 0.161 0.000 0.724 313 K HN 0.166 nan 8.250 nan 0.000 0.446 314 F N 0.687 120.650 119.950 0.022 0.000 2.134 314 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 314 F C 1.298 176.989 175.800 -0.181 0.000 1.097 314 F CA 1.407 59.357 58.000 -0.084 0.000 1.264 314 F CB -0.314 38.568 39.000 -0.196 0.000 1.001 314 F HN -0.058 nan 8.300 nan 0.000 0.479 315 F N 0.110 119.950 119.950 -0.184 0.000 2.113 315 F HA -0.125 4.402 4.527 -0.001 0.000 0.297 315 F C 2.487 178.140 175.800 -0.244 0.000 1.103 315 F CA 1.518 59.327 58.000 -0.318 0.000 1.248 315 F CB -1.389 37.537 39.000 -0.124 0.000 0.999 315 F HN -0.230 nan 8.300 nan 0.000 0.475 316 V N 0.251 120.201 119.914 0.060 0.000 2.380 316 V HA -0.322 3.798 4.120 -0.001 0.000 0.251 316 V C 2.500 178.561 176.094 -0.055 0.000 1.063 316 V CA 2.115 64.418 62.300 0.004 0.000 1.055 316 V CB -1.179 30.666 31.823 0.037 0.000 0.657 316 V HN 0.546 nan 8.190 nan 0.000 0.455 317 S N 0.698 116.345 115.700 -0.089 0.000 2.442 317 S HA -0.111 4.359 4.470 -0.001 0.000 0.236 317 S C 1.517 176.032 174.600 -0.141 0.000 1.007 317 S CA 1.451 59.592 58.200 -0.098 0.000 0.965 317 S CB -0.382 62.770 63.200 -0.081 0.000 0.773 317 S HN 0.770 nan 8.310 nan 0.000 0.504 318 V N -3.210 116.582 119.914 -0.204 0.000 3.214 318 V HA 0.778 4.897 4.120 -0.001 0.000 0.330 318 V C 1.256 177.275 176.094 -0.125 0.000 1.403 318 V CA -0.029 62.166 62.300 -0.176 0.000 1.143 318 V CB -0.727 30.949 31.823 -0.246 0.000 1.098 318 V HN 0.709 nan 8.190 nan 0.000 0.463 319 G N 0.573 109.307 108.800 -0.110 0.000 2.176 319 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.232 319 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.232 319 G C -0.066 174.749 174.900 -0.142 0.000 0.986 319 G CA 0.173 45.200 45.100 -0.121 0.000 0.643 319 G HN 0.539 nan 8.290 nan 0.000 0.522 320 L N 2.240 123.406 121.223 -0.095 0.000 2.456 320 L HA 0.493 4.833 4.340 -0.001 0.000 0.257 320 L C -1.185 175.636 176.870 -0.082 0.000 1.162 320 L CA -2.070 52.716 54.840 -0.089 0.000 0.808 320 L CB 0.686 42.730 42.059 -0.025 0.000 1.136 320 L HN 0.004 nan 8.230 nan 0.000 0.466 321 P HA 0.101 nan 4.420 nan 0.000 0.276 321 P C -1.028 176.232 177.300 -0.068 0.000 1.252 321 P CA -0.592 62.457 63.100 -0.084 0.000 0.802 321 P CB 0.679 32.320 31.700 -0.099 0.000 1.035 322 N N 0.816 119.504 118.700 -0.020 0.000 2.371 322 N HA 0.106 4.846 4.740 -0.001 0.000 0.243 322 N C 0.720 176.205 175.510 -0.041 0.000 1.287 322 N CA -0.028 53.042 53.050 0.033 0.000 0.911 322 N CB 0.147 38.694 38.487 0.099 0.000 1.142 322 N HN 0.387 nan 8.380 nan 0.000 0.451 323 M N 0.481 120.057 119.600 -0.041 0.000 2.232 323 M HA 0.015 4.495 4.480 -0.001 0.000 0.321 323 M C 1.053 177.334 176.300 -0.031 0.000 1.101 323 M CA 0.042 55.160 55.300 -0.303 0.000 1.181 323 M CB -0.277 31.893 32.600 -0.716 0.000 1.432 323 M HN 0.574 nan 8.290 nan 0.000 0.457 324 T N -0.261 114.276 114.554 -0.028 0.000 2.849 324 T HA 0.193 4.542 4.350 -0.001 0.000 0.284 324 T C 0.189 175.046 174.700 0.262 0.000 1.004 324 T CA -0.844 61.337 62.100 0.135 0.000 1.021 324 T CB 1.058 70.031 68.868 0.174 0.000 1.013 324 T HN 0.533 nan 8.240 nan 0.000 0.527 325 Q N 0.603 120.543 119.800 0.233 0.000 2.297 325 Q HA 0.390 4.730 4.340 -0.001 0.000 0.267 325 Q C 1.166 177.280 176.000 0.190 0.000 1.006 325 Q CA 1.377 57.326 55.803 0.243 0.000 0.896 325 Q CB 0.317 29.148 28.738 0.154 0.000 1.186 325 Q HN 1.247 nan 8.270 nan 0.000 0.392 326 G N 4.693 113.604 108.800 0.185 0.000 2.376 326 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.208 326 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.208 326 G C 0.533 175.457 174.900 0.041 0.000 1.032 326 G CA 0.197 45.349 45.100 0.087 0.000 0.641 326 G HN 0.632 nan 8.290 nan 0.000 0.503 327 F N 1.125 121.051 119.950 -0.040 0.000 2.102 327 F HA 0.122 4.648 4.527 -0.001 0.000 0.298 327 F C 2.343 178.025 175.800 -0.195 0.000 1.105 327 F CA 2.389 60.285 58.000 -0.173 0.000 1.239 327 F CB -0.299 38.531 39.000 -0.284 0.000 0.991 327 F HN 0.277 nan 8.300 nan 0.000 0.474 328 W N 0.562 121.804 121.300 -0.097 0.000 2.402 328 W HA -0.092 4.567 4.660 -0.001 0.000 0.286 328 W C 2.411 178.812 176.519 -0.196 0.000 1.221 328 W CA 1.053 58.279 57.345 -0.198 0.000 1.257 328 W CB -0.299 29.177 29.460 0.026 0.000 1.120 328 W HN 0.121 nan 8.180 nan 0.000 0.551 329 E N 0.394 120.644 120.200 0.083 0.000 2.140 329 E HA -0.085 4.265 4.350 -0.001 0.000 0.191 329 E C 1.259 177.826 176.600 -0.055 0.000 0.973 329 E CA 1.286 57.700 56.400 0.022 0.000 0.829 329 E CB -0.346 29.376 29.700 0.037 0.000 0.781 329 E HN 0.290 nan 8.360 nan 0.000 0.466 330 N N -0.708 117.912 118.700 -0.133 0.000 2.392 330 N HA 0.085 4.824 4.740 -0.001 0.000 0.177 330 N C -0.242 175.157 175.510 -0.184 0.000 1.066 330 N CA -0.048 52.890 53.050 -0.188 0.000 0.895 330 N CB 0.471 38.769 38.487 -0.315 0.000 0.988 330 N HN -0.125 nan 8.380 nan 0.000 0.457 331 S N 0.925 116.450 115.700 -0.292 0.000 2.564 331 S HA 0.138 4.607 4.470 -0.001 0.000 0.278 331 S C -0.027 174.523 174.600 -0.084 0.000 1.333 331 S CA -0.272 57.770 58.200 -0.264 0.000 1.048 331 S CB 0.832 63.572 63.200 -0.767 0.000 0.900 331 S HN 0.222 nan 8.310 nan 0.000 0.505 332 M N 4.682 124.297 119.600 0.025 0.000 2.208 332 M HA 0.284 4.763 4.480 -0.001 0.000 0.352 332 M C -0.815 175.422 176.300 -0.105 0.000 1.137 332 M CA -0.598 54.667 55.300 -0.057 0.000 1.091 332 M CB -0.038 32.477 32.600 -0.141 0.000 1.309 332 M HN 0.470 nan 8.290 nan 0.000 0.408 333 L N 2.919 124.054 121.223 -0.147 0.000 2.591 333 L HA 0.220 4.560 4.340 -0.001 0.000 0.228 333 L C 0.617 177.499 176.870 0.020 0.000 1.133 333 L CA 0.654 55.400 54.840 -0.158 0.000 0.880 333 L CB -0.559 41.330 42.059 -0.284 0.000 1.033 333 L HN 0.705 nan 8.230 nan 0.000 0.450 334 T N -5.325 109.234 114.554 0.009 0.000 2.900 334 T HA 0.317 4.667 4.350 -0.001 0.000 0.303 334 T C -0.725 173.978 174.700 0.006 0.000 1.142 334 T CA -1.000 61.123 62.100 0.038 0.000 1.007 334 T CB 2.237 71.132 68.868 0.045 0.000 1.156 334 T HN -0.156 nan 8.240 nan 0.000 0.490 335 D N 1.753 122.161 120.400 0.014 0.000 2.371 335 D HA 0.267 4.907 4.640 -0.001 0.000 0.256 335 D C -1.367 174.924 176.300 -0.016 0.000 1.193 335 D CA -1.823 52.172 54.000 -0.009 0.000 0.881 335 D CB 1.356 42.156 40.800 0.000 0.000 1.143 335 D HN 0.251 nan 8.370 nan 0.000 0.473 336 P HA 0.123 nan 4.420 nan 0.000 0.239 336 P C 0.552 177.836 177.300 -0.026 0.000 1.184 336 P CA 0.671 63.750 63.100 -0.035 0.000 0.760 336 P CB 0.017 31.683 31.700 -0.058 0.000 0.884 337 G N 0.797 109.584 108.800 -0.022 0.000 2.498 337 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.245 337 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.245 337 G C -0.421 174.467 174.900 -0.021 0.000 1.204 337 G CA -0.140 44.951 45.100 -0.015 0.000 0.933 337 G HN 0.558 nan 8.290 nan 0.000 0.574 338 N N -0.258 118.432 118.700 -0.016 0.000 2.513 338 N HA 0.465 5.204 4.740 -0.001 0.000 0.274 338 N C 0.797 176.294 175.510 -0.022 0.000 1.189 338 N CA -0.235 52.804 53.050 -0.018 0.000 0.975 338 N CB 2.169 40.649 38.487 -0.011 0.000 1.157 338 N HN 1.570 nan 8.380 nan 0.000 0.465 339 V N -1.583 118.316 119.914 -0.025 0.000 2.199 339 V HA -0.228 3.891 4.120 -0.001 0.000 0.113 339 V C -0.094 175.977 176.094 -0.039 0.000 0.603 339 V CA 1.433 63.717 62.300 -0.027 0.000 1.413 339 V CB -1.915 29.896 31.823 -0.020 0.000 1.568 339 V HN 0.917 nan 8.190 nan 0.000 0.958 340 Q N 0.074 119.845 119.800 -0.048 0.000 2.366 340 Q HA 0.210 4.550 4.340 -0.001 0.000 0.356 340 Q C 0.411 176.359 176.000 -0.085 0.000 0.866 340 Q CA -0.155 55.607 55.803 -0.068 0.000 1.109 340 Q CB 1.252 29.953 28.738 -0.062 0.000 1.361 340 Q HN 0.917 nan 8.270 nan 0.000 0.404 341 K N -0.281 120.068 120.400 -0.085 0.000 2.527 341 K HA 0.436 4.756 4.320 -0.001 0.000 0.278 341 K C -0.311 176.201 176.600 -0.147 0.000 0.981 341 K CA 0.259 56.488 56.287 -0.096 0.000 1.009 341 K CB 0.573 33.021 32.500 -0.086 0.000 0.895 341 K HN 0.097 nan 8.250 nan 0.000 0.493 342 A N 2.042 124.780 122.820 -0.136 0.000 2.612 342 A HA 0.419 4.739 4.320 -0.001 0.000 0.293 342 A C -0.847 176.676 177.584 -0.102 0.000 1.075 342 A CA -0.697 51.234 52.037 -0.176 0.000 0.680 342 A CB 1.481 20.369 19.000 -0.188 0.000 1.279 342 A HN 0.878 nan 8.150 nan 0.000 0.411 343 V N -0.799 119.063 119.914 -0.087 0.000 2.488 343 V HA 0.414 4.534 4.120 -0.001 0.000 0.277 343 V C 0.485 176.639 176.094 0.100 0.000 1.046 343 V CA 0.079 62.410 62.300 0.053 0.000 0.986 343 V CB 0.242 32.100 31.823 0.059 0.000 0.989 343 V HN 0.950 nan 8.190 nan 0.000 0.475 344 c N 4.574 123.259 118.600 0.141 0.000 2.791 344 c HA 0.324 4.893 4.570 -0.001 0.000 0.270 344 c C 0.862 175.014 174.090 0.103 0.000 1.257 344 c CA -0.244 56.132 56.329 0.079 0.000 1.699 344 c CB -2.210 40.305 42.510 0.008 0.000 1.904 344 c HN 1.005 nan 8.230 nan 0.000 0.603 345 H N 1.942 121.035 119.070 0.039 0.000 3.070 345 H HA 0.162 4.717 4.556 -0.001 0.000 0.313 345 H C -2.292 173.087 175.328 0.085 0.000 0.997 345 H CA -0.706 55.370 56.048 0.047 0.000 1.438 345 H CB -0.341 29.441 29.762 0.034 0.000 1.455 345 H HN 0.197 nan 8.280 nan 0.000 0.575 346 P HA 0.038 nan 4.420 nan 0.000 0.265 346 P C -0.537 176.897 177.300 0.224 0.000 1.193 346 P CA 0.120 63.340 63.100 0.199 0.000 0.765 346 P CB 0.755 32.546 31.700 0.151 0.000 0.823 347 T N -0.363 114.368 114.554 0.295 0.000 2.982 347 T HA 0.721 5.071 4.350 -0.001 0.000 0.321 347 T C -1.171 173.780 174.700 0.419 0.000 1.229 347 T CA -0.982 61.281 62.100 0.272 0.000 1.044 347 T CB 1.560 70.560 68.868 0.220 0.000 1.184 347 T HN 0.277 nan 8.240 nan 0.000 0.477 348 A N 1.894 124.876 122.820 0.269 0.000 2.288 348 A HA 0.722 5.042 4.320 -0.001 0.000 0.320 348 A C -1.352 176.417 177.584 0.307 0.000 1.217 348 A CA -0.882 51.372 52.037 0.361 0.000 0.840 348 A CB 0.328 19.495 19.000 0.279 0.000 1.179 348 A HN 0.722 nan 8.150 nan 0.000 0.504 349 W N 0.963 122.371 121.300 0.180 0.000 2.573 349 W HA 0.523 5.183 4.660 -0.001 0.000 0.326 349 W C -0.371 176.229 176.519 0.135 0.000 1.049 349 W CA -0.353 57.073 57.345 0.135 0.000 1.220 349 W CB 1.586 31.122 29.460 0.126 0.000 1.373 349 W HN 0.621 nan 8.180 nan 0.000 0.507 350 D N 2.977 123.577 120.400 0.333 0.000 2.432 350 D HA 0.180 4.819 4.640 -0.001 0.000 0.265 350 D C 0.276 176.715 176.300 0.231 0.000 1.160 350 D CA -0.258 53.887 54.000 0.241 0.000 0.911 350 D CB 0.783 41.746 40.800 0.272 0.000 1.052 350 D HN 0.211 nan 8.370 nan 0.000 0.508 351 L N 2.173 123.471 121.223 0.125 0.000 2.376 351 L HA 0.311 4.651 4.340 -0.001 0.000 0.219 351 L C 1.589 178.660 176.870 0.334 0.000 1.133 351 L CA 1.051 55.972 54.840 0.136 0.000 0.816 351 L CB -0.671 41.331 42.059 -0.094 0.000 0.933 351 L HN 0.642 nan 8.230 nan 0.000 0.449 352 G N -1.361 107.566 108.800 0.212 0.000 2.423 352 G HA2 0.028 3.988 3.960 -0.001 0.000 0.684 352 G HA3 0.028 3.988 3.960 -0.001 0.000 0.684 352 G C -0.283 174.602 174.900 -0.025 0.000 1.309 352 G CA -0.536 44.695 45.100 0.218 0.000 0.950 352 G HN 0.057 nan 8.290 nan 0.000 0.587 353 K N -0.685 119.651 120.400 -0.106 0.000 3.213 353 K HA 0.059 4.379 4.320 -0.001 0.000 0.266 353 K C 1.637 178.103 176.600 -0.223 0.000 0.911 353 K CA 2.560 58.713 56.287 -0.223 0.000 0.684 353 K CB -1.438 30.781 32.500 -0.469 0.000 1.402 353 K HN 2.792 nan 8.250 nan 0.000 0.465 354 G N -0.009 108.655 108.800 -0.227 0.000 2.168 354 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.257 354 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.257 354 G C -0.319 174.309 174.900 -0.454 0.000 0.997 354 G CA 0.308 45.265 45.100 -0.237 0.000 0.708 354 G HN 0.672 nan 8.290 nan 0.000 0.520 355 D N 0.131 120.192 120.400 -0.565 0.000 2.359 355 D HA 0.568 5.208 4.640 -0.001 0.000 0.230 355 D C -0.216 175.733 176.300 -0.586 0.000 1.118 355 D CA -0.446 53.332 54.000 -0.369 0.000 0.844 355 D CB 0.012 40.794 40.800 -0.030 0.000 1.059 355 D HN 0.089 nan 8.370 nan 0.000 0.493 356 F N 3.009 122.979 119.950 0.033 0.000 2.495 356 F HA 0.577 5.103 4.527 -0.001 0.000 0.327 356 F C 0.748 176.595 175.800 0.077 0.000 1.103 356 F CA -0.877 57.163 58.000 0.065 0.000 0.949 356 F CB 1.744 40.771 39.000 0.046 0.000 1.142 356 F HN -0.010 nan 8.300 nan 0.000 0.457 357 R N 2.723 123.362 120.500 0.232 0.000 2.680 357 R HA 0.667 5.007 4.340 -0.001 0.000 0.269 357 R C -1.738 174.723 176.300 0.268 0.000 1.026 357 R CA -0.960 55.161 56.100 0.035 0.000 0.889 357 R CB 2.866 32.777 30.300 -0.648 0.000 1.241 357 R HN 0.591 nan 8.270 nan 0.000 0.463 358 I N 2.527 123.214 120.570 0.196 0.000 2.433 358 I HA 0.298 4.468 4.170 -0.001 0.000 0.292 358 I C -1.121 175.139 176.117 0.239 0.000 1.001 358 I CA -1.104 60.391 61.300 0.325 0.000 1.119 358 I CB 1.976 40.177 38.000 0.334 0.000 1.289 358 I HN 0.280 nan 8.210 nan 0.000 0.438 359 L N 8.593 130.031 121.223 0.357 0.000 2.298 359 L HA 0.711 5.051 4.340 -0.001 0.000 0.284 359 L C -0.988 175.994 176.870 0.186 0.000 1.013 359 L CA -0.212 54.730 54.840 0.170 0.000 0.824 359 L CB 1.105 43.209 42.059 0.075 0.000 1.221 359 L HN 0.707 nan 8.230 nan 0.000 0.418 360 M N 5.333 125.000 119.600 0.112 0.000 2.333 360 M HA 0.288 4.767 4.480 -0.001 0.000 0.286 360 M C -1.541 174.829 176.300 0.117 0.000 1.113 360 M CA -0.365 55.032 55.300 0.162 0.000 0.959 360 M CB 1.638 34.416 32.600 0.297 0.000 1.776 360 M HN 0.626 nan 8.290 nan 0.000 0.492 361 c N 3.056 121.712 118.600 0.093 0.000 2.262 361 c HA 0.321 4.891 4.570 -0.001 0.000 0.413 361 c C 0.592 174.750 174.090 0.112 0.000 1.019 361 c CA -0.478 55.894 56.329 0.072 0.000 1.320 361 c CB -1.661 40.871 42.510 0.035 0.000 1.657 361 c HN 0.717 nan 8.230 nan 0.000 0.510 362 T N 3.494 118.151 114.554 0.172 0.000 2.902 362 T HA 0.120 4.469 4.350 -0.001 0.000 0.301 362 T C 0.259 175.058 174.700 0.165 0.000 1.012 362 T CA 0.505 62.737 62.100 0.220 0.000 1.151 362 T CB 0.394 69.484 68.868 0.370 0.000 0.946 362 T HN 0.604 nan 8.240 nan 0.000 0.542 363 K N 1.668 122.155 120.400 0.145 0.000 2.208 363 K HA 0.480 4.800 4.320 -0.001 0.000 0.247 363 K C -0.438 176.246 176.600 0.139 0.000 0.953 363 K CA -0.979 55.379 56.287 0.118 0.000 0.837 363 K CB 1.878 34.428 32.500 0.082 0.000 1.131 363 K HN 0.214 nan 8.250 nan 0.000 0.431 364 V N 2.979 122.970 119.914 0.128 0.000 1.956 364 V HA 0.043 4.163 4.120 -0.001 0.000 0.248 364 V C -0.315 175.832 176.094 0.088 0.000 1.615 364 V CA 0.337 62.722 62.300 0.142 0.000 1.558 364 V CB -0.998 30.909 31.823 0.139 0.000 1.529 364 V HN 0.734 nan 8.190 nan 0.000 0.505 365 T N 1.778 116.387 114.554 0.092 0.000 2.926 365 T HA 0.345 4.695 4.350 -0.001 0.000 0.289 365 T C 0.903 175.635 174.700 0.054 0.000 1.054 365 T CA -0.579 61.549 62.100 0.046 0.000 1.015 365 T CB 2.302 71.198 68.868 0.045 0.000 1.167 365 T HN 0.337 nan 8.240 nan 0.000 0.526 366 M N 0.725 120.324 119.600 -0.002 0.000 2.132 366 M HA -0.099 4.381 4.480 -0.001 0.000 0.263 366 M C 1.106 177.468 176.300 0.103 0.000 1.065 366 M CA 1.829 57.126 55.300 -0.005 0.000 1.122 366 M CB -0.151 32.405 32.600 -0.074 0.000 1.365 366 M HN 0.529 nan 8.290 nan 0.000 0.411 367 D N 0.833 121.271 120.400 0.063 0.000 2.149 367 D HA -0.169 4.471 4.640 -0.001 0.000 0.198 367 D C 1.296 177.648 176.300 0.087 0.000 0.990 367 D CA 1.480 55.517 54.000 0.062 0.000 0.839 367 D CB -0.440 40.378 40.800 0.029 0.000 0.948 367 D HN 0.449 nan 8.370 nan 0.000 0.460 368 D N -1.148 119.319 120.400 0.112 0.000 2.323 368 D HA -0.026 4.613 4.640 -0.001 0.000 0.209 368 D C 1.473 177.855 176.300 0.135 0.000 0.973 368 D CA 0.030 54.099 54.000 0.115 0.000 0.874 368 D CB -0.188 40.688 40.800 0.128 0.000 0.930 368 D HN 0.202 nan 8.370 nan 0.000 0.521 369 F N 0.586 120.560 119.950 0.040 0.000 2.293 369 F HA 0.044 4.570 4.527 -0.001 0.000 0.297 369 F C 1.488 177.364 175.800 0.126 0.000 1.089 369 F CA 0.967 59.017 58.000 0.083 0.000 1.377 369 F CB 0.067 39.127 39.000 0.100 0.000 1.051 369 F HN -0.110 nan 8.300 nan 0.000 0.511 370 L N -0.710 120.586 121.223 0.123 0.000 2.162 370 L HA -0.082 4.257 4.340 -0.001 0.000 0.205 370 L C 2.275 179.152 176.870 0.010 0.000 1.086 370 L CA 1.246 56.077 54.840 -0.015 0.000 0.778 370 L CB -1.083 40.998 42.059 0.037 0.000 0.928 370 L HN 0.032 nan 8.230 nan 0.000 0.446 371 T N 0.159 114.727 114.554 0.023 0.000 2.867 371 T HA -0.104 4.246 4.350 -0.001 0.000 0.268 371 T C 2.028 176.761 174.700 0.055 0.000 1.057 371 T CA 1.222 63.336 62.100 0.024 0.000 1.136 371 T CB -0.079 68.798 68.868 0.016 0.000 0.874 371 T HN 0.412 nan 8.240 nan 0.000 0.466 372 A N 0.903 123.675 122.820 -0.080 0.000 1.902 372 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 372 A C 1.929 179.423 177.584 -0.149 0.000 1.181 372 A CA 1.694 53.549 52.037 -0.303 0.000 0.623 372 A CB -0.755 17.702 19.000 -0.906 0.000 0.818 372 A HN 0.541 nan 8.150 nan 0.000 0.443 373 H N -1.868 117.077 119.070 -0.208 0.000 2.326 373 H HA -0.100 4.456 4.556 -0.001 0.000 0.301 373 H C 1.970 177.353 175.328 0.092 0.000 1.081 373 H CA 1.858 57.831 56.048 -0.126 0.000 1.334 373 H CB -0.455 29.046 29.762 -0.435 0.000 1.385 373 H HN 0.844 nan 8.280 nan 0.000 0.504 374 H N 0.637 119.751 119.070 0.073 0.000 2.265 374 H HA -0.139 4.417 4.556 -0.001 0.000 0.295 374 H C 1.912 177.272 175.328 0.054 0.000 1.084 374 H CA 1.804 57.873 56.048 0.034 0.000 1.261 374 H CB 0.292 30.067 29.762 0.022 0.000 1.360 374 H HN 0.224 nan 8.280 nan 0.000 0.487 375 E N 0.383 120.868 120.200 0.476 0.000 2.110 375 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 375 E C 2.340 179.142 176.600 0.336 0.000 0.988 375 E CA 1.129 57.833 56.400 0.507 0.000 0.804 375 E CB -0.352 29.627 29.700 0.464 0.000 0.745 375 E HN 0.624 nan 8.360 nan 0.000 0.458 376 M N 0.252 120.004 119.600 0.254 0.000 2.460 376 M HA -0.035 4.444 4.480 -0.001 0.000 0.263 376 M C 1.846 178.076 176.300 -0.117 0.000 1.071 376 M CA 1.206 56.564 55.300 0.096 0.000 1.096 376 M CB -0.034 32.664 32.600 0.163 0.000 1.408 376 M HN 0.075 nan 8.290 nan 0.000 0.463 377 G N -0.641 108.194 108.800 0.060 0.000 2.402 377 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.216 377 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.216 377 G C 1.211 176.065 174.900 -0.077 0.000 1.162 377 G CA 0.591 45.668 45.100 -0.039 0.000 0.777 377 G HN 0.489 nan 8.290 nan 0.000 0.539 378 H N 0.501 119.624 119.070 0.089 0.000 2.353 378 H HA -0.018 4.538 4.556 -0.001 0.000 0.300 378 H C 2.744 178.137 175.328 0.108 0.000 1.090 378 H CA 0.986 57.166 56.048 0.219 0.000 1.327 378 H CB -0.082 29.803 29.762 0.205 0.000 1.383 378 H HN 0.202 nan 8.280 nan 0.000 0.508 379 I N 0.893 121.524 120.570 0.103 0.000 2.179 379 I HA -0.243 3.927 4.170 -0.001 0.000 0.242 379 I C 2.567 178.485 176.117 -0.330 0.000 1.088 379 I CA 1.098 62.340 61.300 -0.097 0.000 1.357 379 I CB -1.004 36.874 38.000 -0.203 0.000 1.051 379 I HN 0.184 nan 8.210 nan 0.000 0.409 380 Q N 0.384 119.945 119.800 -0.399 0.000 2.077 380 Q HA -0.259 4.081 4.340 -0.001 0.000 0.206 380 Q C 2.302 178.109 176.000 -0.322 0.000 0.989 380 Q CA 1.912 57.438 55.803 -0.461 0.000 0.853 380 Q CB -0.688 27.682 28.738 -0.614 0.000 0.907 380 Q HN 0.596 nan 8.270 nan 0.000 0.418 381 Y N -0.085 119.981 120.300 -0.391 0.000 2.181 381 Y HA -0.251 4.299 4.550 -0.001 0.000 0.288 381 Y C 1.538 176.910 175.900 -0.879 0.000 1.146 381 Y CA 0.961 58.761 58.100 -0.500 0.000 1.164 381 Y CB 0.203 38.404 38.460 -0.431 0.000 0.982 381 Y HN 0.234 nan 8.280 nan 0.000 0.515 382 D N 0.262 120.370 120.400 -0.487 0.000 2.144 382 D HA -0.208 4.432 4.640 -0.001 0.000 0.199 382 D C 2.076 178.063 176.300 -0.521 0.000 0.984 382 D CA 1.621 55.248 54.000 -0.621 0.000 0.834 382 D CB -0.237 40.576 40.800 0.021 0.000 0.955 382 D HN 0.476 nan 8.370 nan 0.000 0.465 383 M N 0.562 119.774 119.600 -0.646 0.000 2.132 383 M HA -0.061 4.419 4.480 -0.001 0.000 0.263 383 M C 2.364 178.511 176.300 -0.255 0.000 1.065 383 M CA 1.122 56.055 55.300 -0.611 0.000 1.122 383 M CB -0.131 32.020 32.600 -0.749 0.000 1.365 383 M HN -0.061 nan 8.290 nan 0.000 0.411 384 A N 0.306 122.957 122.820 -0.282 0.000 1.978 384 A HA -0.189 4.131 4.320 -0.001 0.000 0.220 384 A C 1.663 179.172 177.584 -0.125 0.000 1.170 384 A CA 1.416 53.322 52.037 -0.218 0.000 0.636 384 A CB -1.034 17.716 19.000 -0.416 0.000 0.810 384 A HN 0.786 nan 8.150 nan 0.000 0.448 385 Y N -4.213 116.056 120.300 -0.052 0.000 2.607 385 Y HA 0.688 5.238 4.550 -0.001 0.000 0.266 385 Y C 1.713 177.613 175.900 0.001 0.000 1.178 385 Y CA -0.062 58.011 58.100 -0.046 0.000 1.226 385 Y CB -0.243 38.187 38.460 -0.049 0.000 1.144 385 Y HN 0.144 nan 8.280 nan 0.000 0.528 386 A N 1.351 124.353 122.820 0.304 0.000 2.019 386 A HA -0.053 4.267 4.320 -0.001 0.000 0.219 386 A C 2.231 179.922 177.584 0.178 0.000 1.164 386 A CA 1.602 53.817 52.037 0.297 0.000 0.644 386 A CB -0.713 18.493 19.000 0.342 0.000 0.805 386 A HN 0.678 nan 8.150 nan 0.000 0.449 387 A N -1.276 121.625 122.820 0.136 0.000 2.169 387 A HA 0.119 4.438 4.320 -0.001 0.000 0.212 387 A C 1.169 178.787 177.584 0.058 0.000 1.153 387 A CA 0.093 52.182 52.037 0.087 0.000 0.756 387 A CB -0.109 18.937 19.000 0.077 0.000 0.813 387 A HN 0.513 nan 8.150 nan 0.000 0.471 388 Q N 0.718 120.548 119.800 0.050 0.000 2.417 388 Q HA 0.228 4.568 4.340 -0.001 0.000 0.241 388 Q C -2.345 173.653 176.000 -0.003 0.000 1.008 388 Q CA -1.814 53.988 55.803 -0.002 0.000 0.901 388 Q CB 0.091 28.791 28.738 -0.063 0.000 1.259 388 Q HN 0.275 nan 8.270 nan 0.000 0.489 389 P HA -0.064 nan 4.420 nan 0.000 0.269 389 P C 0.569 177.903 177.300 0.057 0.000 1.215 389 P CA -0.087 63.039 63.100 0.044 0.000 0.780 389 P CB 0.415 32.146 31.700 0.051 0.000 0.898 390 F N 2.270 122.212 119.950 -0.012 0.000 2.053 390 F HA -0.295 4.231 4.527 -0.001 0.000 0.295 390 F C 2.030 177.821 175.800 -0.016 0.000 1.102 390 F CA 1.929 59.923 58.000 -0.010 0.000 1.225 390 F CB -0.828 38.208 39.000 0.060 0.000 0.961 390 F HN 0.136 nan 8.300 nan 0.000 0.495 391 L N -0.530 120.840 121.223 0.245 0.000 2.456 391 L HA -0.178 4.162 4.340 -0.001 0.000 0.224 391 L C 1.354 178.155 176.870 -0.114 0.000 1.148 391 L CA 0.144 55.037 54.840 0.089 0.000 0.825 391 L CB -0.380 41.763 42.059 0.140 0.000 0.937 391 L HN 0.219 nan 8.230 nan 0.000 0.450 392 L N -0.805 120.323 121.223 -0.158 0.000 2.667 392 L HA 0.138 4.478 4.340 -0.001 0.000 0.232 392 L C 0.850 177.466 176.870 -0.423 0.000 1.138 392 L CA 0.576 55.279 54.840 -0.229 0.000 0.921 392 L CB -0.248 41.718 42.059 -0.156 0.000 1.180 392 L HN 0.026 nan 8.230 nan 0.000 0.487 393 R N 0.976 121.162 120.500 -0.523 0.000 2.608 393 R HA 0.311 4.651 4.340 -0.001 0.000 0.277 393 R C -0.288 175.436 176.300 -0.960 0.000 1.341 393 R CA 0.062 55.629 56.100 -0.890 0.000 1.199 393 R CB -0.034 29.943 30.300 -0.539 0.000 1.156 393 R HN 0.276 nan 8.270 nan 0.000 0.558 394 N N -0.616 117.418 118.700 -1.111 0.000 3.355 394 N HA 0.200 4.940 4.740 -0.001 0.000 0.238 394 N C -0.794 174.450 175.510 -0.442 0.000 1.466 394 N CA -0.722 51.999 53.050 -0.547 0.000 0.882 394 N CB 1.285 39.586 38.487 -0.310 0.000 1.406 394 N HN 0.392 nan 8.380 nan 0.000 0.500 395 G N -0.310 108.376 108.800 -0.190 0.000 2.594 395 G HA2 0.365 4.325 3.960 -0.001 0.000 0.243 395 G HA3 0.365 4.325 3.960 -0.001 0.000 0.243 395 G C 1.078 175.847 174.900 -0.218 0.000 1.229 395 G CA 0.384 45.383 45.100 -0.168 0.000 0.843 395 G HN 0.718 nan 8.290 nan 0.000 0.578 396 A N 1.397 123.975 122.820 -0.403 0.000 1.903 396 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 396 A C 1.295 178.588 177.584 -0.485 0.000 1.191 396 A CA 1.945 53.589 52.037 -0.655 0.000 0.638 396 A CB -0.629 17.525 19.000 -1.410 0.000 0.823 396 A HN 1.002 nan 8.150 nan 0.000 0.451 397 N N -2.827 115.582 118.700 -0.484 0.000 2.972 397 N HA 0.205 4.945 4.740 -0.001 0.000 0.262 397 N C 0.409 175.834 175.510 -0.143 0.000 1.478 397 N CA 0.107 52.961 53.050 -0.327 0.000 0.841 397 N CB 0.404 38.553 38.487 -0.563 0.000 1.512 397 N HN 0.221 nan 8.380 nan 0.000 0.548 398 E N -0.514 119.537 120.200 -0.247 0.000 2.233 398 E HA -0.187 4.163 4.350 -0.001 0.000 0.199 398 E C 1.242 177.854 176.600 0.020 0.000 1.004 398 E CA 1.853 58.175 56.400 -0.130 0.000 0.819 398 E CB -0.460 29.112 29.700 -0.214 0.000 0.738 398 E HN 0.710 nan 8.360 nan 0.000 0.478 399 G N -1.145 107.749 108.800 0.158 0.000 3.088 399 G HA2 0.080 4.040 3.960 -0.001 0.000 0.217 399 G HA3 0.080 4.040 3.960 -0.001 0.000 0.217 399 G C 0.667 175.852 174.900 0.476 0.000 1.159 399 G CA -0.346 44.915 45.100 0.268 0.000 0.760 399 G HN 0.109 nan 8.290 nan 0.000 0.550 400 F N 0.151 120.254 119.950 0.255 0.000 2.149 400 F HA 0.136 4.663 4.527 -0.001 0.000 0.294 400 F C 2.537 178.579 175.800 0.403 0.000 1.095 400 F CA 0.571 58.777 58.000 0.343 0.000 1.276 400 F CB -0.366 38.820 39.000 0.310 0.000 1.023 400 F HN 0.164 nan 8.300 nan 0.000 0.480 401 H N 0.561 119.947 119.070 0.527 0.000 2.289 401 H HA -0.134 4.421 4.556 -0.001 0.000 0.296 401 H C 2.079 177.623 175.328 0.359 0.000 1.091 401 H CA 1.878 58.215 56.048 0.482 0.000 1.274 401 H CB -0.035 29.901 29.762 0.291 0.000 1.364 401 H HN 0.166 nan 8.280 nan 0.000 0.490 402 E N 0.233 120.692 120.200 0.431 0.000 2.150 402 E HA -0.063 4.286 4.350 -0.001 0.000 0.193 402 E C 2.329 178.976 176.600 0.079 0.000 0.985 402 E CA 0.713 57.267 56.400 0.257 0.000 0.814 402 E CB -0.239 29.609 29.700 0.247 0.000 0.752 402 E HN 0.439 nan 8.360 nan 0.000 0.466 403 A N 0.953 123.838 122.820 0.109 0.000 1.902 403 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 403 A C 2.593 180.206 177.584 0.048 0.000 1.181 403 A CA 1.284 53.322 52.037 0.001 0.000 0.623 403 A CB -0.601 18.360 19.000 -0.064 0.000 0.818 403 A HN 0.134 nan 8.150 nan 0.000 0.443 404 V N -0.123 119.861 119.914 0.117 0.000 2.343 404 V HA -0.172 3.948 4.120 -0.001 0.000 0.247 404 V C 2.798 178.798 176.094 -0.156 0.000 1.051 404 V CA 1.958 64.257 62.300 -0.002 0.000 1.036 404 V CB -1.359 30.427 31.823 -0.061 0.000 0.654 404 V HN 0.613 nan 8.190 nan 0.000 0.451 405 G N -0.555 108.018 108.800 -0.377 0.000 2.421 405 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 405 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 405 G C 1.462 176.048 174.900 -0.523 0.000 1.171 405 G CA 0.566 45.164 45.100 -0.837 0.000 0.775 405 G HN 0.473 nan 8.290 nan 0.000 0.543 406 E N 0.463 120.498 120.200 -0.276 0.000 2.153 406 E HA -0.089 4.260 4.350 -0.001 0.000 0.194 406 E C 2.582 179.108 176.600 -0.123 0.000 0.988 406 E CA 0.386 56.736 56.400 -0.084 0.000 0.811 406 E CB -0.178 29.456 29.700 -0.110 0.000 0.746 406 E HN 0.309 nan 8.360 nan 0.000 0.466 407 I N 1.029 121.522 120.570 -0.129 0.000 2.264 407 I HA -0.239 3.931 4.170 -0.001 0.000 0.248 407 I C 2.146 178.221 176.117 -0.071 0.000 1.111 407 I CA 1.083 62.328 61.300 -0.092 0.000 1.382 407 I CB -0.800 37.192 38.000 -0.013 0.000 1.060 407 I HN 0.116 nan 8.210 nan 0.000 0.418 408 M N -0.166 119.396 119.600 -0.062 0.000 2.132 408 M HA -0.085 4.394 4.480 -0.001 0.000 0.263 408 M C 2.430 178.558 176.300 -0.286 0.000 1.065 408 M CA 1.266 56.498 55.300 -0.113 0.000 1.122 408 M CB -1.647 30.975 32.600 0.037 0.000 1.365 408 M HN 0.108 nan 8.290 nan 0.000 0.411 409 S N 0.943 116.547 115.700 -0.160 0.000 2.383 409 S HA -0.072 4.398 4.470 -0.001 0.000 0.227 409 S C 1.946 176.446 174.600 -0.166 0.000 1.026 409 S CA 0.733 58.830 58.200 -0.172 0.000 0.981 409 S CB -0.356 62.825 63.200 -0.031 0.000 0.818 409 S HN 0.236 nan 8.310 nan 0.000 0.472 410 L N 1.792 122.952 121.223 -0.105 0.000 1.971 410 L HA -0.124 4.216 4.340 -0.001 0.000 0.215 410 L C 2.531 179.343 176.870 -0.097 0.000 1.072 410 L CA 1.730 56.553 54.840 -0.028 0.000 0.758 410 L CB -1.100 40.950 42.059 -0.015 0.000 0.889 410 L HN 0.186 nan 8.230 nan 0.000 0.433 411 S N -1.163 114.419 115.700 -0.197 0.000 2.382 411 S HA -0.131 4.339 4.470 -0.001 0.000 0.228 411 S C 1.999 176.300 174.600 -0.499 0.000 1.027 411 S CA 1.002 59.037 58.200 -0.274 0.000 0.991 411 S CB -0.363 62.702 63.200 -0.225 0.000 0.823 411 S HN 0.562 nan 8.310 nan 0.000 0.469 412 A N 0.819 123.210 122.820 -0.714 0.000 2.014 412 A HA 0.294 4.613 4.320 -0.001 0.000 0.218 412 A C 2.129 179.582 177.584 -0.217 0.000 1.163 412 A CA 1.363 52.913 52.037 -0.812 0.000 0.652 412 A CB -0.564 17.698 19.000 -1.230 0.000 0.808 412 A HN 0.491 nan 8.150 nan 0.000 0.449 413 A N -0.088 122.632 122.820 -0.166 0.000 2.132 413 A HA 0.241 4.561 4.320 -0.001 0.000 0.213 413 A C 1.496 178.992 177.584 -0.147 0.000 1.154 413 A CA 0.999 52.984 52.037 -0.087 0.000 0.753 413 A CB -1.155 17.825 19.000 -0.034 0.000 0.826 413 A HN 0.642 nan 8.150 nan 0.000 0.469 414 T N -1.827 112.644 114.554 -0.138 0.000 2.946 414 T HA 0.178 4.528 4.350 -0.001 0.000 0.311 414 T C -1.516 173.100 174.700 -0.140 0.000 1.063 414 T CA -0.540 61.461 62.100 -0.166 0.000 1.139 414 T CB 0.590 69.393 68.868 -0.108 0.000 0.994 414 T HN 0.037 nan 8.240 nan 0.000 0.547 415 P HA -0.094 nan 4.420 nan 0.000 0.216 415 P C 1.510 178.751 177.300 -0.099 0.000 1.150 415 P CA 1.116 64.113 63.100 -0.171 0.000 0.843 415 P CB 0.079 31.694 31.700 -0.142 0.000 0.787 416 K N -1.409 118.956 120.400 -0.057 0.000 2.147 416 K HA -0.229 4.091 4.320 -0.001 0.000 0.205 416 K C 2.117 178.720 176.600 0.003 0.000 1.049 416 K CA 1.330 57.606 56.287 -0.018 0.000 0.936 416 K CB -0.335 32.168 32.500 0.005 0.000 0.722 416 K HN 0.148 nan 8.250 nan 0.000 0.446 417 H N -0.080 118.949 119.070 -0.068 0.000 2.343 417 H HA 0.017 4.573 4.556 -0.001 0.000 0.303 417 H C 1.631 176.932 175.328 -0.045 0.000 1.068 417 H CA 1.220 57.244 56.048 -0.039 0.000 1.359 417 H CB 0.081 29.807 29.762 -0.061 0.000 1.402 417 H HN 0.050 nan 8.280 nan 0.000 0.515 418 L N 0.900 122.071 121.223 -0.087 0.000 2.187 418 L HA -0.142 4.197 4.340 -0.001 0.000 0.213 418 L C 2.010 178.764 176.870 -0.193 0.000 1.100 418 L CA 1.550 56.276 54.840 -0.189 0.000 0.765 418 L CB -0.871 41.050 42.059 -0.230 0.000 0.904 418 L HN 0.369 nan 8.230 nan 0.000 0.437 419 K N -0.702 119.611 120.400 -0.144 0.000 1.980 419 K HA -0.095 4.224 4.320 -0.001 0.000 0.208 419 K C 2.185 178.725 176.600 -0.100 0.000 1.043 419 K CA 1.341 57.564 56.287 -0.107 0.000 0.938 419 K CB -0.357 32.103 32.500 -0.066 0.000 0.724 419 K HN 0.079 nan 8.250 nan 0.000 0.438 420 S N 0.817 116.455 115.700 -0.105 0.000 2.462 420 S HA -0.151 4.318 4.470 -0.001 0.000 0.243 420 S C 1.701 176.246 174.600 -0.090 0.000 1.003 420 S CA 0.993 59.141 58.200 -0.087 0.000 0.970 420 S CB -0.121 63.028 63.200 -0.085 0.000 0.762 420 S HN 0.155 nan 8.310 nan 0.000 0.510 421 I N 0.591 121.078 120.570 -0.139 0.000 3.603 421 I HA 0.283 4.453 4.170 -0.001 0.000 0.297 421 I C 1.713 177.836 176.117 0.010 0.000 1.269 421 I CA 0.741 62.010 61.300 -0.051 0.000 1.361 421 I CB -0.105 37.844 38.000 -0.084 0.000 1.063 421 I HN 0.444 nan 8.210 nan 0.000 0.448 422 G N 0.109 108.877 108.800 -0.054 0.000 2.143 422 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.249 422 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.249 422 G C 0.988 175.811 174.900 -0.129 0.000 0.981 422 G CA 0.453 45.525 45.100 -0.047 0.000 0.665 422 G HN 0.364 nan 8.290 nan 0.000 0.528 423 L N -1.236 119.849 121.223 -0.229 0.000 2.554 423 L HA 0.488 4.827 4.340 -0.001 0.000 0.225 423 L C 0.749 177.440 176.870 -0.299 0.000 1.104 423 L CA 0.225 54.839 54.840 -0.377 0.000 0.866 423 L CB 0.375 42.079 42.059 -0.591 0.000 1.047 423 L HN 0.280 nan 8.230 nan 0.000 0.468 424 L N -0.200 120.889 121.223 -0.225 0.000 2.409 424 L HA 0.365 4.705 4.340 -0.001 0.000 0.272 424 L C 0.213 177.020 176.870 -0.106 0.000 0.980 424 L CA -0.420 54.307 54.840 -0.189 0.000 0.826 424 L CB 1.846 43.761 42.059 -0.241 0.000 1.268 424 L HN -0.021 nan 8.230 nan 0.000 0.407 425 S N 4.551 120.218 115.700 -0.055 0.000 2.593 425 S HA 0.464 4.934 4.470 -0.001 0.000 0.269 425 S C -1.866 172.742 174.600 0.014 0.000 1.334 425 S CA -0.721 57.469 58.200 -0.017 0.000 1.015 425 S CB 0.585 63.786 63.200 0.001 0.000 0.912 425 S HN 0.688 nan 8.310 nan 0.000 0.541 426 P HA 0.103 nan 4.420 nan 0.000 0.253 426 P C 0.013 177.330 177.300 0.029 0.000 1.281 426 P CA 0.423 63.533 63.100 0.017 0.000 0.792 426 P CB -0.010 31.692 31.700 0.002 0.000 1.193 427 D N -0.900 119.526 120.400 0.043 0.000 2.367 427 D HA -0.024 4.616 4.640 -0.001 0.000 0.207 427 D C -0.127 176.198 176.300 0.042 0.000 1.034 427 D CA -0.407 53.609 54.000 0.028 0.000 0.861 427 D CB -0.333 40.477 40.800 0.017 0.000 0.943 427 D HN 0.007 nan 8.370 nan 0.000 0.515 428 F N 3.199 123.121 119.950 -0.047 0.000 2.464 428 F HA 0.178 4.705 4.527 -0.001 0.000 0.353 428 F C 0.331 176.102 175.800 -0.048 0.000 1.191 428 F CA -0.737 57.234 58.000 -0.049 0.000 1.147 428 F CB -0.060 38.904 39.000 -0.059 0.000 1.294 428 F HN -0.102 nan 8.300 nan 0.000 0.583 429 Q N 4.156 123.804 119.800 -0.254 0.000 2.332 429 Q HA 0.216 4.556 4.340 -0.001 0.000 0.263 429 Q C -1.006 174.900 176.000 -0.155 0.000 0.979 429 Q CA -0.391 55.321 55.803 -0.151 0.000 0.885 429 Q CB 0.835 29.476 28.738 -0.162 0.000 1.218 429 Q HN 0.628 nan 8.270 nan 0.000 0.405 430 E N 3.244 123.447 120.200 0.005 0.000 2.200 430 E HA 0.198 4.548 4.350 -0.001 0.000 0.283 430 E C -0.877 175.708 176.600 -0.024 0.000 1.015 430 E CA -0.534 55.896 56.400 0.050 0.000 0.819 430 E CB 0.986 30.731 29.700 0.075 0.000 1.081 430 E HN 0.545 nan 8.360 nan 0.000 0.397 431 D N 1.688 122.060 120.400 -0.045 0.000 2.440 431 D HA 0.040 4.680 4.640 -0.001 0.000 0.258 431 D C 0.904 177.161 176.300 -0.072 0.000 1.092 431 D CA -0.511 53.438 54.000 -0.086 0.000 1.016 431 D CB 0.743 41.455 40.800 -0.147 0.000 1.141 431 D HN 0.434 nan 8.370 nan 0.000 0.552 432 N N -0.253 118.386 118.700 -0.102 0.000 2.494 432 N HA -0.134 4.606 4.740 -0.001 0.000 0.182 432 N C 0.858 176.268 175.510 -0.168 0.000 1.076 432 N CA 0.885 53.882 53.050 -0.087 0.000 0.908 432 N CB 0.008 38.456 38.487 -0.065 0.000 0.967 432 N HN 0.430 nan 8.380 nan 0.000 0.449 433 E N -0.086 119.944 120.200 -0.284 0.000 2.140 433 E HA -0.035 4.314 4.350 -0.001 0.000 0.191 433 E C 1.451 177.966 176.600 -0.140 0.000 0.973 433 E CA 1.344 57.455 56.400 -0.481 0.000 0.829 433 E CB 0.059 29.166 29.700 -0.989 0.000 0.781 433 E HN 0.614 nan 8.360 nan 0.000 0.466 434 T N -0.910 113.610 114.554 -0.055 0.000 2.962 434 T HA -0.087 4.262 4.350 -0.001 0.000 0.270 434 T C 1.672 176.450 174.700 0.130 0.000 1.088 434 T CA 0.903 63.054 62.100 0.085 0.000 1.127 434 T CB 0.038 68.979 68.868 0.122 0.000 0.883 434 T HN -0.054 nan 8.240 nan 0.000 0.493 435 E N 0.874 121.119 120.200 0.075 0.000 2.021 435 E HA 0.117 4.467 4.350 -0.001 0.000 0.189 435 E C 1.866 178.485 176.600 0.031 0.000 0.980 435 E CA 0.465 56.937 56.400 0.119 0.000 0.803 435 E CB -0.386 29.377 29.700 0.106 0.000 0.766 435 E HN 0.335 nan 8.360 nan 0.000 0.449 436 I N 1.477 121.993 120.570 -0.090 0.000 2.286 436 I HA -0.237 3.933 4.170 -0.001 0.000 0.248 436 I C 1.680 177.726 176.117 -0.118 0.000 1.115 436 I CA 1.059 62.211 61.300 -0.246 0.000 1.392 436 I CB -0.490 37.143 38.000 -0.613 0.000 1.065 436 I HN 0.125 nan 8.210 nan 0.000 0.418 437 N N -0.383 118.355 118.700 0.064 0.000 2.166 437 N HA -0.221 4.519 4.740 -0.001 0.000 0.186 437 N C 1.777 177.442 175.510 0.259 0.000 1.019 437 N CA 1.120 54.298 53.050 0.214 0.000 0.856 437 N CB -0.402 38.264 38.487 0.299 0.000 0.993 437 N HN 0.365 nan 8.380 nan 0.000 0.426 438 F N 0.474 120.463 119.950 0.065 0.000 2.187 438 F HA 0.042 4.569 4.527 -0.001 0.000 0.295 438 F C 1.786 177.607 175.800 0.035 0.000 1.091 438 F CA 0.579 58.602 58.000 0.038 0.000 1.308 438 F CB -0.322 38.696 39.000 0.029 0.000 1.030 438 F HN -0.091 nan 8.300 nan 0.000 0.487 439 L N 0.327 121.445 121.223 -0.176 0.000 2.093 439 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 439 L C 2.366 179.266 176.870 0.051 0.000 1.085 439 L CA 1.214 55.955 54.840 -0.166 0.000 0.755 439 L CB -1.310 40.650 42.059 -0.164 0.000 0.904 439 L HN 0.279 nan 8.230 nan 0.000 0.435 440 L N -0.328 120.915 121.223 0.033 0.000 2.027 440 L HA -0.216 4.124 4.340 -0.001 0.000 0.206 440 L C 2.408 179.375 176.870 0.160 0.000 1.074 440 L CA 1.786 56.695 54.840 0.115 0.000 0.745 440 L CB -0.751 41.380 42.059 0.119 0.000 0.898 440 L HN 0.358 nan 8.230 nan 0.000 0.433 441 K N -0.621 119.841 120.400 0.103 0.000 2.063 441 K HA -0.215 4.105 4.320 -0.001 0.000 0.208 441 K C 2.036 178.589 176.600 -0.079 0.000 1.048 441 K CA 1.433 57.671 56.287 -0.080 0.000 0.928 441 K CB 0.065 32.302 32.500 -0.438 0.000 0.713 441 K HN 0.416 nan 8.250 nan 0.000 0.442 442 Q N -0.191 119.530 119.800 -0.132 0.000 2.084 442 Q HA -0.128 4.211 4.340 -0.001 0.000 0.202 442 Q C 2.098 178.216 176.000 0.196 0.000 0.978 442 Q CA 1.560 57.368 55.803 0.009 0.000 0.844 442 Q CB -0.248 28.496 28.738 0.011 0.000 0.898 442 Q HN 0.417 nan 8.270 nan 0.000 0.426 443 A N 0.615 123.530 122.820 0.158 0.000 1.969 443 A HA -0.133 4.187 4.320 -0.001 0.000 0.218 443 A C 2.053 179.621 177.584 -0.027 0.000 1.169 443 A CA 0.860 52.792 52.037 -0.175 0.000 0.635 443 A CB -0.384 18.412 19.000 -0.340 0.000 0.810 443 A HN 0.234 nan 8.150 nan 0.000 0.445 444 L N -0.140 121.154 121.223 0.119 0.000 2.079 444 L HA -0.118 4.222 4.340 -0.001 0.000 0.210 444 L C 2.559 179.527 176.870 0.164 0.000 1.081 444 L CA 2.354 57.336 54.840 0.236 0.000 0.752 444 L CB -1.386 40.868 42.059 0.325 0.000 0.896 444 L HN 0.407 nan 8.230 nan 0.000 0.433 445 T N -1.107 113.512 114.554 0.108 0.000 2.837 445 T HA 0.058 4.408 4.350 -0.001 0.000 0.248 445 T C 1.983 176.765 174.700 0.136 0.000 1.033 445 T CA 0.879 63.039 62.100 0.101 0.000 1.150 445 T CB -0.024 68.815 68.868 -0.048 0.000 0.865 445 T HN 0.094 nan 8.240 nan 0.000 0.425 446 I N 0.984 121.616 120.570 0.103 0.000 2.163 446 I HA -0.117 4.053 4.170 -0.001 0.000 0.240 446 I C 2.464 178.598 176.117 0.028 0.000 1.081 446 I CA 0.990 62.369 61.300 0.132 0.000 1.353 446 I CB -0.314 37.869 38.000 0.304 0.000 1.054 446 I HN 0.051 nan 8.210 nan 0.000 0.407 447 V N 0.688 120.528 119.914 -0.122 0.000 2.407 447 V HA -0.093 4.026 4.120 -0.001 0.000 0.245 447 V C 2.555 178.561 176.094 -0.146 0.000 1.041 447 V CA 1.872 64.068 62.300 -0.173 0.000 1.040 447 V CB -1.317 30.307 31.823 -0.331 0.000 0.671 447 V HN 0.559 nan 8.190 nan 0.000 0.455 448 G N -0.962 107.687 108.800 -0.252 0.000 2.450 448 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.220 448 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.220 448 G C 1.715 176.330 174.900 -0.475 0.000 1.130 448 G CA 1.657 46.369 45.100 -0.647 0.000 0.760 448 G HN 0.441 nan 8.290 nan 0.000 0.557 449 T N 0.033 114.463 114.554 -0.206 0.000 3.067 449 T HA 0.170 4.520 4.350 -0.001 0.000 0.261 449 T C 2.421 177.123 174.700 0.003 0.000 1.110 449 T CA 0.213 62.235 62.100 -0.129 0.000 1.113 449 T CB -0.158 68.673 68.868 -0.062 0.000 0.917 449 T HN 0.213 nan 8.240 nan 0.000 0.499 450 L N 1.118 122.342 121.223 0.002 0.000 1.994 450 L HA -0.019 4.320 4.340 -0.001 0.000 0.208 450 L C -0.540 176.435 176.870 0.174 0.000 1.071 450 L CA 1.511 56.433 54.840 0.137 0.000 0.745 450 L CB -1.404 40.734 42.059 0.132 0.000 0.892 450 L HN 0.210 nan 8.230 nan 0.000 0.431 451 P HA -0.195 nan 4.420 nan 0.000 0.217 451 P C 1.504 178.740 177.300 -0.107 0.000 1.151 451 P CA 1.196 64.269 63.100 -0.045 0.000 0.828 451 P CB -0.041 31.453 31.700 -0.342 0.000 0.788 452 F N 0.356 120.201 119.950 -0.175 0.000 2.146 452 F HA -0.160 4.366 4.527 -0.001 0.000 0.298 452 F C 1.877 177.611 175.800 -0.109 0.000 1.096 452 F CA 1.739 59.648 58.000 -0.152 0.000 1.275 452 F CB -1.101 37.833 39.000 -0.109 0.000 1.008 452 F HN -0.158 nan 8.300 nan 0.000 0.480 453 T N -0.277 114.443 114.554 0.277 0.000 2.737 453 T HA -0.236 4.114 4.350 -0.001 0.000 0.265 453 T C 1.694 176.417 174.700 0.037 0.000 1.038 453 T CA 1.712 64.009 62.100 0.328 0.000 1.144 453 T CB -0.915 68.125 68.868 0.286 0.000 0.866 453 T HN 0.574 nan 8.240 nan 0.000 0.434 454 Y N 1.219 121.389 120.300 -0.216 0.000 2.145 454 Y HA -0.153 4.397 4.550 -0.001 0.000 0.286 454 Y C 2.563 178.171 175.900 -0.487 0.000 1.145 454 Y CA 1.321 59.125 58.100 -0.492 0.000 1.148 454 Y CB -0.213 37.739 38.460 -0.846 0.000 0.981 454 Y HN 0.035 nan 8.280 nan 0.000 0.507 455 M N 0.333 119.429 119.600 -0.840 0.000 2.117 455 M HA -0.166 4.313 4.480 -0.001 0.000 0.262 455 M C 2.188 178.067 176.300 -0.700 0.000 1.065 455 M CA 1.603 56.371 55.300 -0.887 0.000 1.114 455 M CB -0.824 31.349 32.600 -0.711 0.000 1.361 455 M HN 0.561 nan 8.290 nan 0.000 0.408 456 L N 1.242 122.071 121.223 -0.657 0.000 1.989 456 L HA -0.159 4.180 4.340 -0.001 0.000 0.211 456 L C 2.090 178.785 176.870 -0.292 0.000 1.071 456 L CA 2.056 56.621 54.840 -0.459 0.000 0.749 456 L CB -1.634 40.041 42.059 -0.640 0.000 0.890 456 L HN 0.287 nan 8.230 nan 0.000 0.431 457 E N 0.121 120.086 120.200 -0.391 0.000 2.153 457 E HA -0.250 4.099 4.350 -0.001 0.000 0.194 457 E C 2.137 178.248 176.600 -0.815 0.000 0.988 457 E CA 1.158 57.201 56.400 -0.594 0.000 0.811 457 E CB -0.068 29.158 29.700 -0.790 0.000 0.746 457 E HN 0.451 nan 8.360 nan 0.000 0.466 458 K N 0.334 120.336 120.400 -0.663 0.000 2.057 458 K HA -0.182 4.138 4.320 -0.001 0.000 0.207 458 K C 1.793 178.325 176.600 -0.113 0.000 1.049 458 K CA 1.400 57.482 56.287 -0.340 0.000 0.931 458 K CB -0.724 31.451 32.500 -0.542 0.000 0.714 458 K HN 0.161 nan 8.250 nan 0.000 0.440 459 W N 1.267 122.377 121.300 -0.316 0.000 2.338 459 W HA -0.165 4.494 4.660 -0.001 0.000 0.304 459 W C 1.815 178.187 176.519 -0.245 0.000 1.212 459 W CA 2.073 59.295 57.345 -0.204 0.000 1.264 459 W CB -0.045 29.361 29.460 -0.089 0.000 1.142 459 W HN 0.014 nan 8.180 nan 0.000 0.512 460 R N -1.064 119.400 120.500 -0.060 0.000 2.075 460 R HA -0.184 4.156 4.340 -0.001 0.000 0.232 460 R C 2.086 178.157 176.300 -0.382 0.000 1.126 460 R CA 1.808 57.669 56.100 -0.398 0.000 0.963 460 R CB -1.077 29.186 30.300 -0.062 0.000 0.858 460 R HN 0.177 nan 8.270 nan 0.000 0.435 461 W N 0.953 122.195 121.300 -0.097 0.000 2.318 461 W HA -0.128 4.531 4.660 -0.000 0.000 0.313 461 W C 2.047 178.513 176.519 -0.089 0.000 1.221 461 W CA 0.954 58.315 57.345 0.028 0.000 1.266 461 W CB -0.722 28.782 29.460 0.073 0.000 1.150 461 W HN 0.138 nan 8.180 nan 0.000 0.496 462 M N -0.786 118.838 119.600 0.040 0.000 2.175 462 M HA -0.169 4.310 4.480 -0.001 0.000 0.264 462 M C 1.948 178.112 176.300 -0.228 0.000 1.063 462 M CA 1.157 56.408 55.300 -0.081 0.000 1.119 462 M CB -0.920 31.610 32.600 -0.117 0.000 1.377 462 M HN -0.288 nan 8.290 nan 0.000 0.415 463 V N 0.079 119.661 119.914 -0.553 0.000 2.295 463 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 463 V C 2.061 177.989 176.094 -0.278 0.000 1.049 463 V CA 1.998 63.910 62.300 -0.647 0.000 1.024 463 V CB -0.705 30.304 31.823 -1.357 0.000 0.648 463 V HN 0.372 nan 8.190 nan 0.000 0.447 464 F N 0.119 119.999 119.950 -0.117 0.000 2.216 464 F HA -0.152 4.374 4.527 -0.000 0.000 0.300 464 F C 2.388 178.168 175.800 -0.033 0.000 1.085 464 F CA 1.204 59.169 58.000 -0.059 0.000 1.326 464 F CB -0.258 38.720 39.000 -0.037 0.000 1.027 464 F HN 0.065 nan 8.300 nan 0.000 0.497 465 K N -0.034 120.448 120.400 0.137 0.000 2.365 465 K HA 0.056 4.376 4.320 -0.001 0.000 0.199 465 K C 1.406 178.039 176.600 0.054 0.000 1.045 465 K CA 0.728 57.064 56.287 0.082 0.000 0.962 465 K CB -0.207 32.329 32.500 0.061 0.000 0.759 465 K HN 0.372 nan 8.250 nan 0.000 0.469 466 G N 1.771 110.598 108.800 0.045 0.000 2.132 466 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.228 466 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.228 466 G C 0.241 175.164 174.900 0.039 0.000 1.000 466 G CA 0.282 45.412 45.100 0.050 0.000 0.693 466 G HN 0.449 nan 8.290 nan 0.000 0.515 467 E N -0.677 119.535 120.200 0.019 0.000 2.489 467 E HA 0.275 4.625 4.350 -0.001 0.000 0.193 467 E C 0.706 177.325 176.600 0.033 0.000 1.057 467 E CA 0.323 56.737 56.400 0.024 0.000 0.866 467 E CB 0.519 30.230 29.700 0.017 0.000 0.916 467 E HN 0.641 nan 8.360 nan 0.000 0.500 468 I N 2.047 122.642 120.570 0.041 0.000 2.476 468 I HA 0.252 4.421 4.170 -0.001 0.000 0.281 468 I C -2.572 173.678 176.117 0.222 0.000 1.040 468 I CA -2.580 58.787 61.300 0.112 0.000 1.094 468 I CB 1.688 39.712 38.000 0.041 0.000 1.219 468 I HN -0.296 nan 8.210 nan 0.000 0.450 469 P HA 0.103 nan 4.420 nan 0.000 0.266 469 P C 0.455 177.693 177.300 -0.102 0.000 1.195 469 P CA -0.201 62.920 63.100 0.036 0.000 0.768 469 P CB 0.728 32.439 31.700 0.019 0.000 0.838 470 K N 1.867 122.033 120.400 -0.390 0.000 2.144 470 K HA -0.252 4.067 4.320 -0.001 0.000 0.209 470 K C 1.123 177.425 176.600 -0.497 0.000 1.047 470 K CA 2.405 58.121 56.287 -0.952 0.000 0.927 470 K CB -0.547 31.518 32.500 -0.724 0.000 0.716 470 K HN 0.668 nan 8.250 nan 0.000 0.454 471 D N -0.198 120.079 120.400 -0.204 0.000 2.378 471 D HA -0.135 4.505 4.640 -0.001 0.000 0.227 471 D C 1.041 177.374 176.300 0.054 0.000 1.012 471 D CA 0.764 54.729 54.000 -0.059 0.000 0.905 471 D CB 0.069 40.850 40.800 -0.032 0.000 0.895 471 D HN 0.250 nan 8.370 nan 0.000 0.532 472 Q N -1.394 118.474 119.800 0.115 0.000 2.149 472 Q HA 0.090 4.430 4.340 -0.001 0.000 0.221 472 Q C 0.483 176.739 176.000 0.428 0.000 0.807 472 Q CA -0.586 55.356 55.803 0.233 0.000 1.000 472 Q CB 0.173 29.027 28.738 0.195 0.000 1.157 472 Q HN 0.237 nan 8.270 nan 0.000 0.487 473 W N 1.532 122.970 121.300 0.229 0.000 2.311 473 W HA -0.186 4.473 4.660 -0.001 0.000 0.326 473 W C 1.967 178.781 176.519 0.491 0.000 1.239 473 W CA 1.077 58.661 57.345 0.399 0.000 1.258 473 W CB -0.578 29.117 29.460 0.391 0.000 1.165 473 W HN 0.213 nan 8.180 nan 0.000 0.466 474 M N 0.058 120.016 119.600 0.595 0.000 2.159 474 M HA -0.156 4.324 4.480 -0.001 0.000 0.263 474 M C 1.957 178.560 176.300 0.504 0.000 1.063 474 M CA 1.463 57.044 55.300 0.469 0.000 1.110 474 M CB -1.750 31.111 32.600 0.434 0.000 1.374 474 M HN 0.070 nan 8.290 nan 0.000 0.411 475 K N 0.148 120.802 120.400 0.424 0.000 2.009 475 K HA -0.204 4.116 4.320 -0.001 0.000 0.210 475 K C 2.130 178.940 176.600 0.350 0.000 1.049 475 K CA 1.268 57.770 56.287 0.357 0.000 0.929 475 K CB 0.001 32.661 32.500 0.268 0.000 0.714 475 K HN 0.020 nan 8.250 nan 0.000 0.440 476 K N 0.572 121.198 120.400 0.376 0.000 2.097 476 K HA -0.168 4.152 4.320 -0.001 0.000 0.205 476 K C 1.837 178.638 176.600 0.335 0.000 1.050 476 K CA 1.011 57.503 56.287 0.342 0.000 0.938 476 K CB -0.482 32.233 32.500 0.358 0.000 0.718 476 K HN 0.472 nan 8.250 nan 0.000 0.442 477 W N 0.083 121.457 121.300 0.123 0.000 2.333 477 W HA -0.248 4.412 4.660 -0.001 0.000 0.316 477 W C 1.320 177.548 176.519 -0.486 0.000 1.215 477 W CA 1.228 58.335 57.345 -0.396 0.000 1.278 477 W CB -0.686 28.289 29.460 -0.808 0.000 1.154 477 W HN 0.098 nan 8.180 nan 0.000 0.486 478 W N 0.721 122.092 121.300 0.117 0.000 2.519 478 W HA -0.064 4.596 4.660 -0.000 0.000 0.266 478 W C 2.431 178.942 176.519 -0.014 0.000 1.253 478 W CA 1.188 58.526 57.345 -0.011 0.000 1.274 478 W CB -0.602 28.921 29.460 0.106 0.000 1.114 478 W HN -0.004 nan 8.180 nan 0.000 0.596 479 E N 0.127 120.434 120.200 0.179 0.000 2.072 479 E HA -0.205 4.145 4.350 -0.001 0.000 0.191 479 E C 2.097 178.734 176.600 0.063 0.000 0.985 479 E CA 1.441 57.931 56.400 0.150 0.000 0.801 479 E CB -0.229 29.565 29.700 0.158 0.000 0.750 479 E HN 0.221 nan 8.360 nan 0.000 0.452 480 M N 0.059 119.630 119.600 -0.048 0.000 2.200 480 M HA -0.116 4.364 4.480 -0.001 0.000 0.265 480 M C 2.044 178.185 176.300 -0.265 0.000 1.066 480 M CA 0.914 56.126 55.300 -0.146 0.000 1.127 480 M CB 0.092 32.568 32.600 -0.206 0.000 1.379 480 M HN -0.114 nan 8.290 nan 0.000 0.420 481 K N 0.569 120.699 120.400 -0.450 0.000 2.026 481 K HA -0.104 4.216 4.320 -0.001 0.000 0.208 481 K C 1.996 178.542 176.600 -0.090 0.000 1.048 481 K CA 1.533 57.564 56.287 -0.426 0.000 0.929 481 K CB -0.373 31.770 32.500 -0.594 0.000 0.713 481 K HN 0.396 nan 8.250 nan 0.000 0.439 482 R N 0.617 121.146 120.500 0.048 0.000 2.073 482 R HA -0.094 4.246 4.340 -0.001 0.000 0.234 482 R C 2.291 178.736 176.300 0.241 0.000 1.134 482 R CA 1.092 57.269 56.100 0.129 0.000 0.952 482 R CB -0.071 30.346 30.300 0.194 0.000 0.850 482 R HN 0.208 nan 8.270 nan 0.000 0.433 483 E N 0.529 120.885 120.200 0.261 0.000 2.028 483 E HA -0.100 4.250 4.350 -0.001 0.000 0.190 483 E C 2.121 179.030 176.600 0.515 0.000 0.984 483 E CA 1.127 57.766 56.400 0.399 0.000 0.800 483 E CB 0.028 29.872 29.700 0.239 0.000 0.758 483 E HN 0.331 nan 8.360 nan 0.000 0.448 484 I N 0.374 121.128 120.570 0.307 0.000 2.339 484 I HA -0.151 4.019 4.170 -0.001 0.000 0.245 484 I C 2.232 178.581 176.117 0.387 0.000 1.096 484 I CA 0.583 62.096 61.300 0.355 0.000 1.408 484 I CB 0.055 38.115 38.000 0.100 0.000 1.092 484 I HN -0.105 nan 8.210 nan 0.000 0.423 485 V N 0.345 120.337 119.914 0.131 0.000 3.174 485 V HA 0.243 4.363 4.120 -0.001 0.000 0.254 485 V C 1.436 177.481 176.094 -0.081 0.000 1.120 485 V CA 0.729 63.086 62.300 0.095 0.000 1.114 485 V CB -0.661 31.163 31.823 0.002 0.000 0.756 485 V HN 0.644 nan 8.190 nan 0.000 0.467 486 G N 1.038 109.530 108.800 -0.513 0.000 2.289 486 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.280 486 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.280 486 G C -0.244 174.446 174.900 -0.351 0.000 1.089 486 G CA 0.334 44.596 45.100 -1.396 0.000 0.939 486 G HN 0.493 nan 8.290 nan 0.000 0.499 487 V N -0.350 119.511 119.914 -0.088 0.000 2.760 487 V HA 0.765 4.885 4.120 -0.001 0.000 0.309 487 V C 0.326 176.525 176.094 0.175 0.000 1.077 487 V CA -0.398 61.957 62.300 0.092 0.000 0.910 487 V CB 2.305 34.247 31.823 0.199 0.000 1.008 487 V HN 1.011 nan 8.190 nan 0.000 0.424 488 V N 1.066 121.066 119.914 0.144 0.000 2.680 488 V HA 0.693 4.813 4.120 -0.001 0.000 0.309 488 V C -0.146 175.828 176.094 -0.199 0.000 1.052 488 V CA -0.859 61.485 62.300 0.073 0.000 0.908 488 V CB 1.874 33.688 31.823 -0.016 0.000 1.001 488 V HN 0.931 nan 8.190 nan 0.000 0.431 489 E N 3.980 123.807 120.200 -0.621 0.000 2.384 489 E HA 0.191 4.541 4.350 -0.001 0.000 0.266 489 E C -2.346 173.841 176.600 -0.688 0.000 1.012 489 E CA -1.528 54.173 56.400 -1.165 0.000 0.901 489 E CB 1.384 29.845 29.700 -2.066 0.000 0.967 489 E HN 0.444 nan 8.360 nan 0.000 0.435 490 P HA -0.035 nan 4.420 nan 0.000 0.219 490 P C -0.052 177.097 177.300 -0.252 0.000 1.150 490 P CA 0.617 63.411 63.100 -0.510 0.000 0.814 490 P CB 0.359 31.530 31.700 -0.881 0.000 0.787 491 V N 0.496 120.174 119.914 -0.394 0.000 2.823 491 V HA 0.394 4.513 4.120 -0.001 0.000 0.312 491 V C -2.485 173.240 176.094 -0.615 0.000 1.072 491 V CA -2.335 59.726 62.300 -0.398 0.000 0.937 491 V CB 2.418 34.176 31.823 -0.108 0.000 1.013 491 V HN -0.125 nan 8.190 nan 0.000 0.430 492 P HA 0.364 nan 4.420 nan 0.000 0.284 492 P C -1.424 175.775 177.300 -0.170 0.000 1.253 492 P CA -0.220 62.587 63.100 -0.489 0.000 0.800 492 P CB 0.756 32.154 31.700 -0.502 0.000 0.961 493 H N 1.298 120.166 119.070 -0.337 0.000 2.589 493 H HA 0.278 4.834 4.556 -0.001 0.000 0.335 493 H C 0.305 175.627 175.328 -0.009 0.000 1.019 493 H CA -0.510 55.287 56.048 -0.418 0.000 1.213 493 H CB 0.820 30.187 29.762 -0.658 0.000 1.472 493 H HN 0.453 nan 8.280 nan 0.000 0.508 494 D N 1.273 121.838 120.400 0.274 0.000 2.478 494 D HA 0.019 4.659 4.640 -0.001 0.000 0.274 494 D C 0.732 177.208 176.300 0.294 0.000 1.234 494 D CA -0.487 53.663 54.000 0.251 0.000 1.069 494 D CB 0.899 41.809 40.800 0.183 0.000 1.113 494 D HN 0.246 nan 8.370 nan 0.000 0.571 495 E N -1.144 119.177 120.200 0.202 0.000 2.516 495 E HA -0.040 4.310 4.350 -0.001 0.000 0.199 495 E C 1.233 177.909 176.600 0.127 0.000 1.069 495 E CA 0.322 56.826 56.400 0.174 0.000 0.876 495 E CB -0.473 29.283 29.700 0.093 0.000 0.843 495 E HN 0.468 nan 8.360 nan 0.000 0.530 496 T N 0.043 114.670 114.554 0.121 0.000 3.023 496 T HA -0.016 4.333 4.350 -0.001 0.000 0.266 496 T C 0.312 174.966 174.700 -0.076 0.000 1.093 496 T CA 0.505 62.597 62.100 -0.013 0.000 1.129 496 T CB 0.015 68.832 68.868 -0.085 0.000 0.899 496 T HN 0.102 nan 8.240 nan 0.000 0.491 497 Y N -0.664 119.606 120.300 -0.051 0.000 2.334 497 Y HA 0.446 4.996 4.550 -0.001 0.000 0.325 497 Y C 0.574 176.440 175.900 -0.056 0.000 1.308 497 Y CA -1.105 56.928 58.100 -0.111 0.000 1.389 497 Y CB 0.828 39.191 38.460 -0.162 0.000 1.328 497 Y HN -0.106 nan 8.280 nan 0.000 0.532 498 C N 2.384 121.704 119.300 0.033 0.000 3.482 498 C HA 0.227 4.686 4.460 -0.001 0.000 0.208 498 C C 0.442 175.228 174.990 -0.340 0.000 1.306 498 C CA -0.910 58.032 59.018 -0.126 0.000 1.254 498 C CB -1.656 26.018 27.740 -0.109 0.000 1.832 498 C HN 0.874 nan 8.230 nan 0.000 0.554 499 D N 2.618 122.785 120.400 -0.387 0.000 2.182 499 D HA -0.092 4.548 4.640 -0.001 0.000 0.201 499 D C -0.434 175.392 176.300 -0.789 0.000 0.986 499 D CA 1.365 55.100 54.000 -0.443 0.000 0.847 499 D CB -0.591 40.117 40.800 -0.154 0.000 0.942 499 D HN 0.512 nan 8.370 nan 0.000 0.467 500 P HA -0.028 nan 4.420 nan 0.000 0.219 500 P C 1.121 177.937 177.300 -0.807 0.000 1.150 500 P CA 1.164 63.356 63.100 -1.514 0.000 0.814 500 P CB 0.072 30.417 31.700 -2.259 0.000 0.787 501 A N 0.832 123.199 122.820 -0.755 0.000 2.172 501 A HA -0.065 4.254 4.320 -0.001 0.000 0.216 501 A C 2.154 179.616 177.584 -0.204 0.000 1.154 501 A CA 1.455 53.167 52.037 -0.543 0.000 0.701 501 A CB -1.300 17.346 19.000 -0.589 0.000 0.789 501 A HN 0.361 nan 8.150 nan 0.000 0.465 502 S N -0.926 114.716 115.700 -0.096 0.000 2.650 502 S HA 0.271 4.740 4.470 -0.001 0.000 0.219 502 S C 0.390 175.462 174.600 0.787 0.000 0.960 502 S CA -0.246 58.109 58.200 0.258 0.000 0.925 502 S CB -0.389 62.876 63.200 0.108 0.000 0.775 502 S HN 0.410 nan 8.310 nan 0.000 0.525 503 L N 1.351 122.714 121.223 0.232 0.000 2.307 503 L HA 0.446 4.785 4.340 -0.001 0.000 0.284 503 L C 0.967 177.748 176.870 -0.149 0.000 1.023 503 L CA -0.780 53.971 54.840 -0.149 0.000 0.810 503 L CB 1.319 43.071 42.059 -0.512 0.000 1.231 503 L HN 0.271 nan 8.230 nan 0.000 0.423 504 F N 4.290 124.035 119.950 -0.340 0.000 2.045 504 F HA -0.320 4.207 4.527 -0.001 0.000 0.297 504 F C 2.233 177.816 175.800 -0.361 0.000 1.114 504 F CA 2.216 59.795 58.000 -0.702 0.000 1.207 504 F CB -0.118 38.646 39.000 -0.394 0.000 0.964 504 F HN 0.687 nan 8.300 nan 0.000 0.486 505 H N -1.128 117.833 119.070 -0.181 0.000 2.456 505 H HA -0.102 4.454 4.556 -0.001 0.000 0.296 505 H C 2.399 177.653 175.328 -0.124 0.000 1.079 505 H CA 1.415 57.425 56.048 -0.063 0.000 1.322 505 H CB -0.531 29.404 29.762 0.290 0.000 1.388 505 H HN 0.303 nan 8.280 nan 0.000 0.538 506 V N 1.158 121.002 119.914 -0.118 0.000 2.255 506 V HA -0.199 3.921 4.120 -0.001 0.000 0.243 506 V C 2.603 178.613 176.094 -0.140 0.000 1.038 506 V CA 1.958 64.191 62.300 -0.112 0.000 1.008 506 V CB -0.452 31.174 31.823 -0.328 0.000 0.645 506 V HN 0.503 nan 8.190 nan 0.000 0.449 507 S N -0.186 115.343 115.700 -0.285 0.000 2.515 507 S HA -0.059 4.411 4.470 -0.001 0.000 0.231 507 S C 1.314 175.733 174.600 -0.301 0.000 0.987 507 S CA 0.943 58.989 58.200 -0.256 0.000 0.936 507 S CB -0.432 62.648 63.200 -0.200 0.000 0.766 507 S HN 0.642 nan 8.310 nan 0.000 0.528 508 N N 1.476 119.914 118.700 -0.436 0.000 2.251 508 N HA 0.070 4.810 4.740 -0.001 0.000 0.217 508 N C -0.565 174.724 175.510 -0.368 0.000 1.124 508 N CA 0.431 53.203 53.050 -0.463 0.000 0.843 508 N CB 0.166 38.100 38.487 -0.921 0.000 1.024 508 N HN 0.393 nan 8.380 nan 0.000 0.501 509 D N 0.362 120.687 120.400 -0.125 0.000 2.689 509 D HA -0.242 4.398 4.640 -0.001 0.000 0.237 509 D C -1.366 174.935 176.300 0.001 0.000 1.148 509 D CA 0.906 54.988 54.000 0.137 0.000 0.656 509 D CB -1.512 39.398 40.800 0.183 0.000 1.050 509 D HN 0.255 nan 8.370 nan 0.000 0.426 510 Y N -0.051 120.344 120.300 0.158 0.000 2.393 510 Y HA 0.449 4.999 4.550 -0.001 0.000 0.341 510 Y C 0.894 176.645 175.900 -0.248 0.000 0.988 510 Y CA -0.566 57.545 58.100 0.018 0.000 1.078 510 Y CB 1.703 40.231 38.460 0.114 0.000 1.203 510 Y HN 0.088 nan 8.280 nan 0.000 0.453 511 S N 1.451 116.763 115.700 -0.646 0.000 2.585 511 S HA 0.175 4.645 4.470 -0.001 0.000 0.273 511 S C 0.090 174.609 174.600 -0.135 0.000 1.339 511 S CA -0.244 57.316 58.200 -1.068 0.000 1.028 511 S CB 0.557 62.970 63.200 -1.313 0.000 0.906 511 S HN 0.748 nan 8.310 nan 0.000 0.528 512 F N 0.336 120.162 119.950 -0.206 0.000 2.740 512 F HA 0.301 4.828 4.527 -0.001 0.000 0.304 512 F C 1.658 177.463 175.800 0.008 0.000 1.098 512 F CA -0.401 57.594 58.000 -0.009 0.000 1.258 512 F CB 0.095 39.079 39.000 -0.026 0.000 1.061 512 F HN 0.613 nan 8.300 nan 0.000 0.598 513 I N 2.051 122.663 120.570 0.071 0.000 2.530 513 I HA -0.273 3.896 4.170 -0.001 0.000 0.257 513 I C 2.598 178.726 176.117 0.019 0.000 1.179 513 I CA 1.396 62.734 61.300 0.063 0.000 1.440 513 I CB -0.528 37.574 38.000 0.170 0.000 1.087 513 I HN 0.143 nan 8.210 nan 0.000 0.440 514 R N -0.719 119.714 120.500 -0.112 0.000 2.159 514 R HA -0.236 4.104 4.340 -0.001 0.000 0.237 514 R C 1.844 177.932 176.300 -0.353 0.000 1.131 514 R CA 1.866 57.837 56.100 -0.216 0.000 0.982 514 R CB -1.303 28.774 30.300 -0.371 0.000 0.868 514 R HN 0.337 nan 8.270 nan 0.000 0.453 515 Y N -0.293 119.893 120.300 -0.191 0.000 2.373 515 Y HA -0.109 4.441 4.550 -0.000 0.000 0.293 515 Y C 2.203 178.015 175.900 -0.147 0.000 1.129 515 Y CA 0.788 58.757 58.100 -0.219 0.000 1.226 515 Y CB -0.511 37.689 38.460 -0.434 0.000 1.000 515 Y HN 0.074 nan 8.280 nan 0.000 0.549 516 Y N 1.002 121.249 120.300 -0.089 0.000 2.130 516 Y HA -0.228 4.322 4.550 -0.001 0.000 0.287 516 Y C 2.772 178.558 175.900 -0.190 0.000 1.124 516 Y CA 2.154 60.203 58.100 -0.083 0.000 1.118 516 Y CB -0.618 37.810 38.460 -0.053 0.000 0.994 516 Y HN 0.191 nan 8.280 nan 0.000 0.497 517 T N -0.755 113.721 114.554 -0.131 0.000 2.746 517 T HA -0.219 4.131 4.350 -0.001 0.000 0.267 517 T C 2.109 176.248 174.700 -0.935 0.000 1.039 517 T CA 1.422 63.194 62.100 -0.548 0.000 1.142 517 T CB -0.582 67.995 68.868 -0.485 0.000 0.866 517 T HN 0.354 nan 8.240 nan 0.000 0.444 518 R N 1.234 121.435 120.500 -0.497 0.000 2.091 518 R HA -0.124 4.216 4.340 -0.001 0.000 0.238 518 R C 2.273 178.371 176.300 -0.336 0.000 1.136 518 R CA 2.001 57.911 56.100 -0.317 0.000 0.959 518 R CB -1.118 29.111 30.300 -0.118 0.000 0.856 518 R HN 0.480 nan 8.270 nan 0.000 0.437 519 T N 1.754 116.131 114.554 -0.295 0.000 2.708 519 T HA -0.128 4.221 4.350 -0.001 0.000 0.266 519 T C 1.807 176.371 174.700 -0.225 0.000 1.037 519 T CA 1.326 63.289 62.100 -0.229 0.000 1.146 519 T CB -0.154 68.624 68.868 -0.150 0.000 0.865 519 T HN 0.099 nan 8.240 nan 0.000 0.435 520 L N -0.073 120.946 121.223 -0.340 0.000 2.093 520 L HA -0.003 4.337 4.340 -0.001 0.000 0.208 520 L C 2.242 178.993 176.870 -0.198 0.000 1.085 520 L CA 1.457 56.169 54.840 -0.214 0.000 0.755 520 L CB -0.952 40.958 42.059 -0.249 0.000 0.904 520 L HN 0.269 nan 8.230 nan 0.000 0.435 521 Y N 0.317 120.378 120.300 -0.399 0.000 2.145 521 Y HA -0.281 4.268 4.550 -0.000 0.000 0.286 521 Y C 2.706 177.964 175.900 -1.069 0.000 1.145 521 Y CA 1.144 58.767 58.100 -0.795 0.000 1.148 521 Y CB -1.374 36.479 38.460 -1.012 0.000 0.981 521 Y HN 0.437 nan 8.280 nan 0.000 0.507 522 Q N -0.706 118.717 119.800 -0.629 0.000 2.152 522 Q HA -0.228 4.112 4.340 -0.001 0.000 0.206 522 Q C 1.581 177.246 176.000 -0.558 0.000 0.985 522 Q CA 2.177 57.604 55.803 -0.626 0.000 0.863 522 Q CB -0.938 27.420 28.738 -0.634 0.000 0.904 522 Q HN 0.384 nan 8.270 nan 0.000 0.422 523 F N 1.209 121.020 119.950 -0.231 0.000 2.456 523 F HA 0.056 4.582 4.527 -0.001 0.000 0.298 523 F C 2.395 178.156 175.800 -0.065 0.000 1.104 523 F CA 0.814 58.726 58.000 -0.147 0.000 1.435 523 F CB -0.110 38.800 39.000 -0.150 0.000 1.078 523 F HN 0.098 nan 8.300 nan 0.000 0.546 524 Q N -0.656 119.157 119.800 0.023 0.000 2.046 524 Q HA -0.145 4.194 4.340 -0.001 0.000 0.200 524 Q C 2.125 178.229 176.000 0.173 0.000 0.975 524 Q CA 1.347 57.197 55.803 0.078 0.000 0.836 524 Q CB -0.333 28.429 28.738 0.039 0.000 0.896 524 Q HN 0.270 nan 8.270 nan 0.000 0.428 525 F N 1.260 121.193 119.950 -0.028 0.000 2.069 525 F HA -0.227 4.299 4.527 -0.000 0.000 0.298 525 F C 2.567 178.348 175.800 -0.031 0.000 1.113 525 F CA 1.437 59.397 58.000 -0.067 0.000 1.214 525 F CB -1.156 37.761 39.000 -0.139 0.000 0.978 525 F HN 0.116 nan 8.300 nan 0.000 0.474 526 Q N 0.491 120.393 119.800 0.171 0.000 2.084 526 Q HA -0.210 4.129 4.340 -0.001 0.000 0.202 526 Q C 2.167 178.249 176.000 0.137 0.000 0.978 526 Q CA 1.959 57.831 55.803 0.116 0.000 0.844 526 Q CB -0.409 28.376 28.738 0.077 0.000 0.898 526 Q HN 0.529 nan 8.270 nan 0.000 0.426 527 E N -1.067 119.232 120.200 0.165 0.000 2.077 527 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 527 E C 1.747 178.424 176.600 0.127 0.000 0.989 527 E CA 0.986 57.479 56.400 0.155 0.000 0.800 527 E CB -0.229 29.565 29.700 0.157 0.000 0.746 527 E HN 0.454 nan 8.360 nan 0.000 0.452 528 A N 0.912 123.810 122.820 0.130 0.000 1.858 528 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 528 A C 2.061 179.691 177.584 0.076 0.000 1.190 528 A CA 1.172 53.272 52.037 0.104 0.000 0.617 528 A CB -0.610 18.460 19.000 0.116 0.000 0.827 528 A HN 0.280 nan 8.150 nan 0.000 0.443 529 L N -0.315 120.949 121.223 0.069 0.000 2.083 529 L HA -0.177 4.163 4.340 -0.001 0.000 0.209 529 L C 2.698 179.597 176.870 0.048 0.000 1.083 529 L CA 1.340 56.204 54.840 0.040 0.000 0.752 529 L CB -1.738 40.336 42.059 0.025 0.000 0.899 529 L HN 0.524 nan 8.230 nan 0.000 0.433 530 c N -1.137 117.502 118.600 0.065 0.000 2.435 530 c HA -0.126 4.444 4.570 -0.001 0.000 0.279 530 c C 2.762 176.920 174.090 0.114 0.000 1.321 530 c CA 0.194 56.570 56.329 0.078 0.000 1.752 530 c CB -0.636 41.911 42.510 0.060 0.000 1.959 530 c HN 0.560 nan 8.230 nan 0.000 0.500 531 Q N 0.653 120.513 119.800 0.100 0.000 2.119 531 Q HA -0.086 4.254 4.340 -0.001 0.000 0.201 531 Q C 2.391 178.431 176.000 0.066 0.000 0.972 531 Q CA 1.589 57.445 55.803 0.088 0.000 0.847 531 Q CB -0.281 28.504 28.738 0.079 0.000 0.903 531 Q HN 0.730 nan 8.270 nan 0.000 0.433 532 A N 0.456 123.309 122.820 0.054 0.000 2.168 532 A HA 0.111 4.431 4.320 -0.001 0.000 0.215 532 A C 1.855 179.459 177.584 0.034 0.000 1.152 532 A CA 1.123 53.181 52.037 0.036 0.000 0.716 532 A CB -0.105 18.909 19.000 0.024 0.000 0.794 532 A HN 0.314 nan 8.150 nan 0.000 0.465 533 A N -0.797 122.053 122.820 0.050 0.000 2.348 533 A HA 0.359 4.679 4.320 -0.001 0.000 0.224 533 A C 0.745 178.371 177.584 0.069 0.000 1.227 533 A CA 0.301 52.369 52.037 0.051 0.000 0.885 533 A CB -0.051 18.981 19.000 0.054 0.000 0.933 533 A HN 0.302 nan 8.150 nan 0.000 0.506 534 K N 0.157 120.598 120.400 0.070 0.000 3.117 534 K HA -0.220 4.099 4.320 -0.001 0.000 0.269 534 K C -0.268 176.378 176.600 0.077 0.000 1.098 534 K CA 1.044 57.366 56.287 0.058 0.000 0.785 534 K CB -2.695 29.825 32.500 0.034 0.000 1.242 534 K HN 0.825 nan 8.250 nan 0.000 0.491 535 H N 1.089 120.169 119.070 0.017 0.000 2.848 535 H HA 0.151 4.706 4.556 -0.001 0.000 0.341 535 H C 1.145 176.477 175.328 0.007 0.000 1.060 535 H CA 0.989 57.044 56.048 0.012 0.000 1.444 535 H CB 0.825 30.598 29.762 0.018 0.000 1.446 535 H HN 0.200 nan 8.280 nan 0.000 0.583 536 E N 2.809 122.640 120.200 -0.615 0.000 2.065 536 E HA 0.166 4.516 4.350 -0.001 0.000 0.191 536 E C 1.482 177.797 176.600 -0.475 0.000 0.960 536 E CA 0.734 56.877 56.400 -0.427 0.000 0.824 536 E CB -0.143 29.413 29.700 -0.239 0.000 0.793 536 E HN 0.754 nan 8.360 nan 0.000 0.459 537 G N 1.390 109.832 108.800 -0.596 0.000 2.514 537 G HA2 0.221 4.181 3.960 -0.001 0.000 0.245 537 G HA3 0.221 4.181 3.960 -0.001 0.000 0.245 537 G C -2.146 172.692 174.900 -0.103 0.000 1.488 537 G CA -0.833 44.108 45.100 -0.265 0.000 1.063 537 G HN 0.002 nan 8.290 nan 0.000 0.557 538 P HA 0.057 nan 4.420 nan 0.000 0.265 538 P C 0.917 178.299 177.300 0.136 0.000 1.193 538 P CA -0.456 62.679 63.100 0.060 0.000 0.765 538 P CB 0.756 32.474 31.700 0.030 0.000 0.823 539 L N 4.405 125.708 121.223 0.134 0.000 2.081 539 L HA -0.230 4.110 4.340 -0.001 0.000 0.212 539 L C 2.191 179.079 176.870 0.029 0.000 1.080 539 L CA 1.922 56.844 54.840 0.136 0.000 0.754 539 L CB -1.277 40.891 42.059 0.181 0.000 0.893 539 L HN 0.564 nan 8.230 nan 0.000 0.433 540 H N -0.937 118.007 119.070 -0.209 0.000 2.561 540 H HA -0.056 4.500 4.556 -0.000 0.000 0.278 540 H C 1.032 176.328 175.328 -0.052 0.000 1.014 540 H CA 1.000 56.889 56.048 -0.265 0.000 1.211 540 H CB -0.281 29.060 29.762 -0.702 0.000 1.365 540 H HN 0.454 nan 8.280 nan 0.000 0.594 541 K N 0.570 120.697 120.400 -0.456 0.000 2.374 541 K HA 0.084 4.403 4.320 -0.001 0.000 0.196 541 K C 0.626 177.062 176.600 -0.274 0.000 1.023 541 K CA -0.049 56.037 56.287 -0.335 0.000 1.103 541 K CB 0.185 32.529 32.500 -0.261 0.000 0.848 541 K HN 0.158 nan 8.250 nan 0.000 0.528 542 c N 2.470 120.769 118.600 -0.501 0.000 2.676 542 c HA 0.174 4.744 4.570 -0.001 0.000 0.416 542 c C -0.101 173.833 174.090 -0.259 0.000 1.299 542 c CA -0.070 55.830 56.329 -0.715 0.000 2.048 542 c CB -0.155 41.883 42.510 -0.788 0.000 2.713 542 c HN 0.364 nan 8.230 nan 0.000 0.624 543 D N 3.073 123.378 120.400 -0.160 0.000 2.788 543 D HA 0.305 4.945 4.640 -0.001 0.000 0.247 543 D C 0.520 176.838 176.300 0.029 0.000 1.236 543 D CA -0.598 53.385 54.000 -0.028 0.000 0.898 543 D CB 1.018 41.851 40.800 0.055 0.000 1.401 543 D HN 0.599 nan 8.370 nan 0.000 0.549 544 I N 0.186 120.800 120.570 0.072 0.000 3.684 544 I HA 0.233 4.402 4.170 -0.001 0.000 0.304 544 I C 0.167 176.302 176.117 0.030 0.000 1.278 544 I CA -0.375 60.958 61.300 0.054 0.000 1.272 544 I CB -0.006 38.017 38.000 0.038 0.000 1.029 544 I HN -0.007 nan 8.210 nan 0.000 0.458 545 S N 2.357 118.131 115.700 0.124 0.000 2.558 545 S HA 0.052 4.521 4.470 -0.001 0.000 0.288 545 S C 0.799 175.411 174.600 0.021 0.000 1.318 545 S CA 0.519 58.762 58.200 0.072 0.000 1.056 545 S CB 0.182 63.555 63.200 0.289 0.000 0.853 545 S HN 0.772 nan 8.310 nan 0.000 0.505 546 N N -0.740 117.941 118.700 -0.032 0.000 2.967 546 N HA -0.183 4.557 4.740 -0.001 0.000 0.218 546 N C -0.198 175.292 175.510 -0.033 0.000 0.870 546 N CA 0.877 53.915 53.050 -0.020 0.000 1.030 546 N CB -0.816 37.679 38.487 0.014 0.000 1.027 546 N HN 0.529 nan 8.380 nan 0.000 0.603 547 S N 0.901 116.575 115.700 -0.044 0.000 2.473 547 S HA 0.256 4.725 4.470 -0.001 0.000 0.312 547 S C 1.358 175.923 174.600 -0.058 0.000 1.087 547 S CA 0.165 58.343 58.200 -0.036 0.000 1.077 547 S CB 0.648 63.838 63.200 -0.017 0.000 1.065 547 S HN 0.301 nan 8.310 nan 0.000 0.510 548 T N 1.671 116.193 114.554 -0.054 0.000 2.995 548 T HA -0.010 4.340 4.350 -0.001 0.000 0.269 548 T C 1.398 176.067 174.700 -0.051 0.000 1.091 548 T CA 0.768 62.830 62.100 -0.064 0.000 1.128 548 T CB -0.195 68.636 68.868 -0.062 0.000 0.891 548 T HN 0.539 nan 8.240 nan 0.000 0.492 549 E N 1.735 121.914 120.200 -0.034 0.000 2.152 549 E HA 0.187 4.537 4.350 -0.001 0.000 0.192 549 E C 2.254 178.841 176.600 -0.021 0.000 0.983 549 E CA 1.077 57.464 56.400 -0.022 0.000 0.818 549 E CB -0.673 29.021 29.700 -0.009 0.000 0.758 549 E HN 0.628 nan 8.360 nan 0.000 0.467 550 A N -0.128 122.676 122.820 -0.026 0.000 1.872 550 A HA 0.026 4.346 4.320 -0.001 0.000 0.214 550 A C 2.437 179.996 177.584 -0.041 0.000 1.187 550 A CA 1.494 53.515 52.037 -0.027 0.000 0.614 550 A CB -1.171 17.814 19.000 -0.026 0.000 0.826 550 A HN 0.372 nan 8.150 nan 0.000 0.442 551 G N -0.888 107.878 108.800 -0.057 0.000 2.448 551 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.219 551 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.219 551 G C 1.592 176.479 174.900 -0.020 0.000 1.127 551 G CA 1.373 46.440 45.100 -0.054 0.000 0.766 551 G HN 0.556 nan 8.290 nan 0.000 0.552 552 Q N 0.697 120.480 119.800 -0.029 0.000 2.049 552 Q HA 0.059 4.399 4.340 -0.001 0.000 0.198 552 Q C 2.461 178.481 176.000 0.034 0.000 0.971 552 Q CA 1.465 57.265 55.803 -0.004 0.000 0.833 552 Q CB -0.267 28.455 28.738 -0.027 0.000 0.896 552 Q HN 0.403 nan 8.270 nan 0.000 0.434 553 K N -0.193 120.205 120.400 -0.002 0.000 2.063 553 K HA -0.161 4.159 4.320 -0.001 0.000 0.208 553 K C 2.005 178.568 176.600 -0.061 0.000 1.048 553 K CA 1.285 57.561 56.287 -0.020 0.000 0.928 553 K CB -0.343 32.143 32.500 -0.024 0.000 0.713 553 K HN 0.204 nan 8.250 nan 0.000 0.442 554 L N 0.698 121.874 121.223 -0.078 0.000 2.017 554 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 554 L C 2.049 178.829 176.870 -0.149 0.000 1.073 554 L CA 1.549 56.289 54.840 -0.168 0.000 0.745 554 L CB -0.673 41.299 42.059 -0.144 0.000 0.894 554 L HN 0.077 nan 8.230 nan 0.000 0.432 555 F N 0.460 120.300 119.950 -0.183 0.000 2.269 555 F HA -0.208 4.319 4.527 -0.001 0.000 0.301 555 F C 2.119 177.841 175.800 -0.130 0.000 1.082 555 F CA 1.796 59.697 58.000 -0.164 0.000 1.360 555 F CB -0.474 38.450 39.000 -0.127 0.000 1.041 555 F HN 0.318 nan 8.300 nan 0.000 0.512 556 N N 0.008 118.720 118.700 0.020 0.000 2.223 556 N HA -0.204 4.536 4.740 -0.001 0.000 0.185 556 N C 1.704 177.124 175.510 -0.148 0.000 1.016 556 N CA 1.533 54.563 53.050 -0.033 0.000 0.863 556 N CB -0.176 38.314 38.487 0.005 0.000 0.983 556 N HN 0.437 nan 8.380 nan 0.000 0.429 557 M N -0.994 118.491 119.600 -0.193 0.000 2.486 557 M HA 0.200 4.680 4.480 -0.001 0.000 0.264 557 M C 1.472 177.637 176.300 -0.224 0.000 1.125 557 M CA 1.031 56.228 55.300 -0.172 0.000 1.144 557 M CB -0.195 32.322 32.600 -0.138 0.000 1.353 557 M HN -0.142 nan 8.290 nan 0.000 0.466 558 L N 1.757 122.738 121.223 -0.402 0.000 2.012 558 L HA -0.081 4.258 4.340 -0.001 0.000 0.210 558 L C 2.839 179.564 176.870 -0.242 0.000 1.073 558 L CA 2.262 56.811 54.840 -0.485 0.000 0.748 558 L CB -0.916 40.763 42.059 -0.632 0.000 0.891 558 L HN 0.617 nan 8.230 nan 0.000 0.431 559 R N -1.592 118.582 120.500 -0.543 0.000 2.285 559 R HA -0.101 4.239 4.340 -0.001 0.000 0.213 559 R C 1.700 177.939 176.300 -0.101 0.000 1.068 559 R CA 0.716 56.587 56.100 -0.382 0.000 1.004 559 R CB -0.501 29.427 30.300 -0.620 0.000 0.873 559 R HN 0.174 nan 8.270 nan 0.000 0.467 560 L N 0.863 122.034 121.223 -0.086 0.000 2.201 560 L HA 0.121 4.461 4.340 -0.001 0.000 0.212 560 L C 1.623 178.468 176.870 -0.042 0.000 1.105 560 L CA 1.771 56.575 54.840 -0.060 0.000 0.775 560 L CB -1.233 40.775 42.059 -0.085 0.000 0.913 560 L HN 0.619 nan 8.230 nan 0.000 0.440 561 G N -0.226 108.618 108.800 0.073 0.000 2.611 561 G HA2 -0.424 3.536 3.960 -0.001 0.000 0.301 561 G HA3 -0.424 3.536 3.960 -0.001 0.000 0.301 561 G C 0.920 175.699 174.900 -0.203 0.000 1.233 561 G CA 0.494 45.498 45.100 -0.160 0.000 0.993 561 G HN 0.255 nan 8.290 nan 0.000 0.553 562 K N 1.088 121.319 120.400 -0.281 0.000 2.593 562 K HA 0.364 4.684 4.320 -0.001 0.000 0.208 562 K C 2.181 178.683 176.600 -0.163 0.000 1.051 562 K CA 0.830 56.985 56.287 -0.220 0.000 1.111 562 K CB -0.080 32.282 32.500 -0.229 0.000 0.849 562 K HN 0.543 nan 8.250 nan 0.000 0.479 563 S N -0.607 115.005 115.700 -0.146 0.000 2.489 563 S HA 0.056 4.526 4.470 -0.001 0.000 0.228 563 S C 0.512 175.048 174.600 -0.107 0.000 0.995 563 S CA 0.268 58.401 58.200 -0.110 0.000 0.934 563 S CB 0.195 63.340 63.200 -0.092 0.000 0.771 563 S HN 0.118 nan 8.310 nan 0.000 0.522 564 E N 1.390 121.513 120.200 -0.129 0.000 2.320 564 E HA 0.555 4.904 4.350 -0.001 0.000 0.264 564 E C -3.022 173.482 176.600 -0.161 0.000 0.923 564 E CA -2.596 53.712 56.400 -0.153 0.000 0.796 564 E CB 0.815 30.407 29.700 -0.180 0.000 1.262 564 E HN 0.061 nan 8.360 nan 0.000 0.428 565 P HA -0.010 nan 4.420 nan 0.000 0.269 565 P C 1.091 178.261 177.300 -0.217 0.000 1.209 565 P CA -0.147 62.837 63.100 -0.193 0.000 0.776 565 P CB 0.260 31.820 31.700 -0.234 0.000 0.876 566 W N 2.528 123.721 121.300 -0.179 0.000 2.374 566 W HA -0.180 4.480 4.660 -0.001 0.000 0.288 566 W C 0.945 177.437 176.519 -0.045 0.000 1.218 566 W CA 1.718 58.908 57.345 -0.259 0.000 1.245 566 W CB -2.470 26.817 29.460 -0.288 0.000 1.126 566 W HN 0.328 nan 8.180 nan 0.000 0.545 567 T N 0.199 114.229 114.554 -0.874 0.000 2.803 567 T HA -0.243 4.107 4.350 -0.001 0.000 0.269 567 T C 2.017 176.612 174.700 -0.175 0.000 1.052 567 T CA 1.642 63.321 62.100 -0.703 0.000 1.136 567 T CB -0.832 67.638 68.868 -0.664 0.000 0.864 567 T HN 0.326 nan 8.240 nan 0.000 0.467 568 L N 0.239 121.281 121.223 -0.301 0.000 2.162 568 L HA 0.319 4.659 4.340 -0.001 0.000 0.205 568 L C 2.956 179.744 176.870 -0.136 0.000 1.086 568 L CA 1.003 55.612 54.840 -0.385 0.000 0.778 568 L CB -0.642 40.964 42.059 -0.754 0.000 0.928 568 L HN 0.343 nan 8.230 nan 0.000 0.446 569 A N 0.105 122.883 122.820 -0.071 0.000 1.902 569 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 569 A C 2.241 179.944 177.584 0.199 0.000 1.181 569 A CA 1.720 53.781 52.037 0.040 0.000 0.623 569 A CB -0.848 18.154 19.000 0.004 0.000 0.818 569 A HN 0.506 nan 8.150 nan 0.000 0.443 570 L N -0.669 120.763 121.223 0.348 0.000 1.994 570 L HA -0.228 4.112 4.340 -0.001 0.000 0.208 570 L C 2.683 179.665 176.870 0.186 0.000 1.071 570 L CA 2.331 57.378 54.840 0.344 0.000 0.745 570 L CB -0.448 41.843 42.059 0.386 0.000 0.892 570 L HN 0.663 nan 8.230 nan 0.000 0.431 571 E N -0.014 120.271 120.200 0.141 0.000 2.097 571 E HA -0.288 4.061 4.350 -0.001 0.000 0.196 571 E C 1.700 178.344 176.600 0.073 0.000 1.000 571 E CA 1.701 58.171 56.400 0.116 0.000 0.804 571 E CB 0.038 29.827 29.700 0.149 0.000 0.740 571 E HN 0.489 nan 8.360 nan 0.000 0.454 572 N N -0.293 118.428 118.700 0.035 0.000 2.348 572 N HA -0.128 4.611 4.740 -0.001 0.000 0.185 572 N C 1.477 176.984 175.510 -0.005 0.000 1.019 572 N CA 0.930 53.982 53.050 0.004 0.000 0.880 572 N CB 0.064 38.532 38.487 -0.030 0.000 0.965 572 N HN 0.095 nan 8.380 nan 0.000 0.437 573 V N -0.640 119.272 119.914 -0.002 0.000 2.690 573 V HA 0.025 4.145 4.120 -0.001 0.000 0.240 573 V C 1.831 177.951 176.094 0.043 0.000 1.078 573 V CA 0.882 63.161 62.300 -0.034 0.000 1.102 573 V CB 0.190 31.904 31.823 -0.183 0.000 0.800 573 V HN 0.230 nan 8.190 nan 0.000 0.479 574 V N -1.851 118.125 119.914 0.104 0.000 3.621 574 V HA 0.592 4.712 4.120 -0.001 0.000 0.285 574 V C 1.333 177.491 176.094 0.105 0.000 1.346 574 V CA 0.778 63.154 62.300 0.127 0.000 1.104 574 V CB -0.166 31.766 31.823 0.181 0.000 0.913 574 V HN 0.753 nan 8.190 nan 0.000 0.432 575 G N -0.222 108.634 108.800 0.094 0.000 2.143 575 G HA2 0.135 4.095 3.960 -0.001 0.000 0.248 575 G HA3 0.135 4.095 3.960 -0.001 0.000 0.248 575 G C 0.166 175.122 174.900 0.093 0.000 0.991 575 G CA 0.215 45.366 45.100 0.084 0.000 0.689 575 G HN 1.932 nan 8.290 nan 0.000 0.522 576 A N -0.716 122.172 122.820 0.113 0.000 2.572 576 A HA 0.821 5.141 4.320 -0.001 0.000 0.295 576 A C 0.548 178.214 177.584 0.137 0.000 1.072 576 A CA 0.243 52.349 52.037 0.114 0.000 0.691 576 A CB 0.932 20.003 19.000 0.118 0.000 1.291 576 A HN 0.837 nan 8.150 nan 0.000 0.404 577 K N 0.344 120.816 120.400 0.120 0.000 2.387 577 K HA 0.217 4.537 4.320 -0.001 0.000 0.198 577 K C -0.027 176.632 176.600 0.098 0.000 1.022 577 K CA -0.056 56.295 56.287 0.107 0.000 1.128 577 K CB 0.237 32.793 32.500 0.093 0.000 0.853 577 K HN 0.374 nan 8.250 nan 0.000 0.523 578 N N 1.104 119.915 118.700 0.185 0.000 2.405 578 N HA 0.239 4.978 4.740 -0.001 0.000 0.285 578 N C -1.464 174.263 175.510 0.362 0.000 1.262 578 N CA -0.838 52.388 53.050 0.295 0.000 0.773 578 N CB 1.811 40.455 38.487 0.260 0.000 1.490 578 N HN 0.124 nan 8.380 nan 0.000 0.486 579 M N 1.730 121.609 119.600 0.464 0.000 2.238 579 M HA 0.121 4.601 4.480 -0.001 0.000 0.350 579 M C -0.512 175.948 176.300 0.268 0.000 1.321 579 M CA 0.446 55.985 55.300 0.398 0.000 1.097 579 M CB -0.023 32.794 32.600 0.362 0.000 1.713 579 M HN 0.438 nan 8.290 nan 0.000 0.455 580 N N 3.424 122.251 118.700 0.213 0.000 2.260 580 N HA 0.264 5.004 4.740 -0.001 0.000 0.293 580 N C -0.570 175.018 175.510 0.130 0.000 1.058 580 N CA -0.685 52.469 53.050 0.173 0.000 0.824 580 N CB 2.184 40.765 38.487 0.157 0.000 1.551 580 N HN 0.611 nan 8.380 nan 0.000 0.475 581 V N 3.920 123.905 119.914 0.118 0.000 3.608 581 V HA 0.107 4.226 4.120 -0.001 0.000 0.269 581 V C 2.100 178.226 176.094 0.053 0.000 1.245 581 V CA 0.748 63.090 62.300 0.070 0.000 1.138 581 V CB -0.473 31.383 31.823 0.055 0.000 0.841 581 V HN 0.665 nan 8.190 nan 0.000 0.451 582 R N 1.028 121.571 120.500 0.072 0.000 2.103 582 R HA -0.125 4.215 4.340 -0.001 0.000 0.242 582 R C -0.333 176.002 176.300 0.059 0.000 1.142 582 R CA 2.400 58.535 56.100 0.060 0.000 0.960 582 R CB -1.426 28.918 30.300 0.075 0.000 0.858 582 R HN 0.468 nan 8.270 nan 0.000 0.439 583 P HA -0.149 nan 4.420 nan 0.000 0.217 583 P C 1.185 178.502 177.300 0.029 0.000 1.150 583 P CA 0.934 64.093 63.100 0.099 0.000 0.832 583 P CB 0.040 31.830 31.700 0.150 0.000 0.787 584 L N -1.210 120.003 121.223 -0.016 0.000 2.017 584 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 584 L C 1.918 178.717 176.870 -0.119 0.000 1.073 584 L CA 1.679 56.360 54.840 -0.265 0.000 0.745 584 L CB -0.872 41.139 42.059 -0.080 0.000 0.894 584 L HN -0.122 nan 8.230 nan 0.000 0.432 585 L N 0.358 121.567 121.223 -0.023 0.000 2.083 585 L HA -0.216 4.123 4.340 -0.001 0.000 0.209 585 L C 2.210 179.102 176.870 0.036 0.000 1.083 585 L CA 1.923 56.762 54.840 -0.002 0.000 0.752 585 L CB -1.472 40.559 42.059 -0.046 0.000 0.899 585 L HN 0.404 nan 8.230 nan 0.000 0.433 586 N N -2.038 116.683 118.700 0.035 0.000 2.188 586 N HA -0.261 4.479 4.740 -0.001 0.000 0.184 586 N C 1.871 177.402 175.510 0.036 0.000 1.018 586 N CA 0.990 54.075 53.050 0.057 0.000 0.858 586 N CB -0.266 38.267 38.487 0.076 0.000 0.989 586 N HN 0.259 nan 8.380 nan 0.000 0.426 587 Y N 0.629 120.810 120.300 -0.198 0.000 2.128 587 Y HA -0.192 4.357 4.550 -0.001 0.000 0.284 587 Y C 1.248 176.899 175.900 -0.415 0.000 1.154 587 Y CA 1.642 59.516 58.100 -0.378 0.000 1.149 587 Y CB -0.250 37.677 38.460 -0.888 0.000 0.976 587 Y HN 0.019 nan 8.280 nan 0.000 0.505 588 F N -0.276 119.659 119.950 -0.026 0.000 2.765 588 F HA 0.022 4.548 4.527 -0.000 0.000 0.302 588 F C 1.999 177.807 175.800 0.013 0.000 1.111 588 F CA -0.018 57.952 58.000 -0.051 0.000 1.359 588 F CB -0.021 38.958 39.000 -0.035 0.000 1.097 588 F HN -0.020 nan 8.300 nan 0.000 0.577 589 E N 1.029 121.332 120.200 0.171 0.000 2.114 589 E HA -0.217 4.133 4.350 -0.001 0.000 0.199 589 E C -0.457 176.266 176.600 0.205 0.000 1.008 589 E CA 1.597 58.129 56.400 0.220 0.000 0.810 589 E CB -1.631 28.163 29.700 0.155 0.000 0.739 589 E HN 0.313 nan 8.360 nan 0.000 0.456 590 P HA -0.139 nan 4.420 nan 0.000 0.215 590 P C 1.719 179.094 177.300 0.126 0.000 1.153 590 P CA 0.855 64.010 63.100 0.092 0.000 0.853 590 P CB -0.070 31.650 31.700 0.033 0.000 0.788 591 L N -1.901 119.405 121.223 0.139 0.000 2.156 591 L HA -0.027 4.313 4.340 -0.001 0.000 0.208 591 L C 2.121 179.174 176.870 0.305 0.000 1.095 591 L CA 1.544 56.496 54.840 0.186 0.000 0.770 591 L CB -1.268 40.901 42.059 0.184 0.000 0.914 591 L HN -0.160 nan 8.230 nan 0.000 0.439 592 F N 0.444 120.462 119.950 0.112 0.000 2.171 592 F HA -0.173 4.353 4.527 -0.001 0.000 0.300 592 F C 2.496 178.298 175.800 0.004 0.000 1.090 592 F CA 1.836 59.867 58.000 0.051 0.000 1.293 592 F CB -0.889 38.137 39.000 0.042 0.000 1.013 592 F HN 0.335 nan 8.300 nan 0.000 0.486 593 T N -3.178 111.350 114.554 -0.043 0.000 2.942 593 T HA -0.224 4.126 4.350 -0.001 0.000 0.265 593 T C 1.849 176.516 174.700 -0.055 0.000 1.062 593 T CA 0.984 62.982 62.100 -0.170 0.000 1.139 593 T CB -1.292 67.555 68.868 -0.036 0.000 0.883 593 T HN 0.536 nan 8.240 nan 0.000 0.468 594 W N 1.224 122.460 121.300 -0.108 0.000 2.381 594 W HA 0.145 4.805 4.660 -0.000 0.000 0.301 594 W C 1.698 178.148 176.519 -0.115 0.000 1.205 594 W CA 0.167 57.467 57.345 -0.074 0.000 1.285 594 W CB -0.476 28.970 29.460 -0.023 0.000 1.133 594 W HN 0.089 nan 8.180 nan 0.000 0.521 595 L N 1.503 122.780 121.223 0.090 0.000 1.989 595 L HA -0.228 4.112 4.340 -0.001 0.000 0.211 595 L C 2.392 179.131 176.870 -0.220 0.000 1.071 595 L CA 2.115 56.906 54.840 -0.082 0.000 0.749 595 L CB -1.586 40.544 42.059 0.120 0.000 0.890 595 L HN -0.043 nan 8.230 nan 0.000 0.431 596 K N -0.665 119.487 120.400 -0.414 0.000 2.034 596 K HA -0.270 4.050 4.320 -0.001 0.000 0.214 596 K C 1.892 178.344 176.600 -0.247 0.000 1.051 596 K CA 2.035 58.033 56.287 -0.482 0.000 0.931 596 K CB -0.353 31.750 32.500 -0.662 0.000 0.715 596 K HN 0.318 nan 8.250 nan 0.000 0.446 597 D N -0.027 120.212 120.400 -0.270 0.000 2.144 597 D HA -0.158 4.482 4.640 -0.001 0.000 0.199 597 D C 1.913 178.051 176.300 -0.271 0.000 0.984 597 D CA 1.092 54.952 54.000 -0.233 0.000 0.834 597 D CB 0.176 40.844 40.800 -0.220 0.000 0.955 597 D HN 0.099 nan 8.370 nan 0.000 0.465 598 Q N 0.008 119.559 119.800 -0.415 0.000 2.167 598 Q HA -0.020 4.320 4.340 -0.001 0.000 0.202 598 Q C 1.092 177.003 176.000 -0.149 0.000 0.970 598 Q CA 0.870 56.435 55.803 -0.396 0.000 0.855 598 Q CB -0.347 27.998 28.738 -0.654 0.000 0.911 598 Q HN 0.555 nan 8.270 nan 0.000 0.438 599 N N 0.530 119.189 118.700 -0.068 0.000 2.313 599 N HA -0.025 4.714 4.740 -0.001 0.000 0.207 599 N C 1.144 176.654 175.510 -0.001 0.000 1.141 599 N CA -0.228 52.838 53.050 0.027 0.000 0.830 599 N CB 0.285 38.868 38.487 0.160 0.000 1.008 599 N HN -0.045 nan 8.380 nan 0.000 0.481 600 K N 2.217 122.589 120.400 -0.047 0.000 2.074 600 K HA -0.159 4.161 4.320 -0.001 0.000 0.209 600 K C 1.396 177.980 176.600 -0.027 0.000 1.048 600 K CA 1.542 57.802 56.287 -0.045 0.000 0.926 600 K CB 0.027 32.488 32.500 -0.064 0.000 0.713 600 K HN 0.358 nan 8.250 nan 0.000 0.444 601 N N -1.461 117.226 118.700 -0.023 0.000 2.205 601 N HA 0.052 4.791 4.740 -0.001 0.000 0.201 601 N C -0.236 175.280 175.510 0.009 0.000 1.128 601 N CA -0.155 52.889 53.050 -0.010 0.000 0.867 601 N CB 0.288 38.766 38.487 -0.016 0.000 0.996 601 N HN -0.135 nan 8.380 nan 0.000 0.503 602 S N 0.373 116.082 115.700 0.014 0.000 2.669 602 S HA 0.345 4.815 4.470 -0.001 0.000 0.270 602 S C -0.692 173.949 174.600 0.069 0.000 1.225 602 S CA -0.672 57.556 58.200 0.046 0.000 0.991 602 S CB 0.749 63.976 63.200 0.046 0.000 0.987 602 S HN 0.293 nan 8.310 nan 0.000 0.552 603 F N 2.051 121.984 119.950 -0.028 0.000 2.424 603 F HA 0.453 4.980 4.527 -0.000 0.000 0.356 603 F C -0.547 175.230 175.800 -0.038 0.000 1.110 603 F CA -0.525 57.454 58.000 -0.035 0.000 1.161 603 F CB 0.467 39.447 39.000 -0.032 0.000 1.115 603 F HN 0.151 nan 8.300 nan 0.000 0.507 604 V N 7.009 126.584 119.914 -0.565 0.000 2.350 604 V HA 0.801 4.921 4.120 -0.001 0.000 0.276 604 V C 0.411 176.145 176.094 -0.599 0.000 1.028 604 V CA 0.236 62.260 62.300 -0.459 0.000 0.860 604 V CB 0.188 31.694 31.823 -0.528 0.000 0.990 604 V HN 1.206 nan 8.190 nan 0.000 0.453 605 G N 4.500 113.140 108.800 -0.268 0.000 2.409 605 G HA2 0.081 4.041 3.960 -0.001 0.000 0.421 605 G HA3 0.081 4.041 3.960 -0.001 0.000 0.421 605 G C -1.360 173.644 174.900 0.172 0.000 1.259 605 G CA -0.207 44.662 45.100 -0.384 0.000 1.011 605 G HN 1.613 nan 8.290 nan 0.000 0.497 606 W N -1.413 119.993 121.300 0.177 0.000 3.146 606 W HA 0.785 5.445 4.660 -0.001 0.000 0.319 606 W C -0.177 176.453 176.519 0.185 0.000 1.258 606 W CA -0.789 56.684 57.345 0.212 0.000 1.189 606 W CB 1.126 30.634 29.460 0.080 0.000 1.412 606 W HN 1.393 nan 8.180 nan 0.000 0.567 607 S N 0.194 116.117 115.700 0.373 0.000 2.508 607 S HA 0.419 4.888 4.470 -0.001 0.000 0.284 607 S C 0.754 175.563 174.600 0.349 0.000 1.192 607 S CA 0.178 58.528 58.200 0.250 0.000 1.070 607 S CB 1.196 64.463 63.200 0.111 0.000 1.004 607 S HN 0.892 nan 8.310 nan 0.000 0.493 608 T N 0.875 115.609 114.554 0.301 0.000 3.129 608 T HA 0.157 4.506 4.350 -0.001 0.000 0.251 608 T C 0.437 175.252 174.700 0.191 0.000 1.117 608 T CA 0.178 62.448 62.100 0.283 0.000 1.034 608 T CB -0.185 68.839 68.868 0.261 0.000 0.968 608 T HN 0.550 nan 8.240 nan 0.000 0.526 609 D N 0.356 120.859 120.400 0.171 0.000 2.162 609 D HA 0.090 4.730 4.640 -0.001 0.000 0.205 609 D C 0.410 176.761 176.300 0.085 0.000 0.964 609 D CA 0.178 54.244 54.000 0.110 0.000 0.847 609 D CB -0.330 40.528 40.800 0.098 0.000 0.988 609 D HN 0.575 nan 8.370 nan 0.000 0.480 610 W N 2.303 123.583 121.300 -0.033 0.000 2.170 610 W HA 0.216 4.875 4.660 -0.001 0.000 0.342 610 W C 0.185 176.613 176.519 -0.152 0.000 1.294 610 W CA 0.286 57.580 57.345 -0.085 0.000 1.246 610 W CB 0.502 29.927 29.460 -0.058 0.000 1.156 610 W HN -0.124 nan 8.180 nan 0.000 0.572 611 S N 3.758 118.598 115.700 -1.434 0.000 2.547 611 S HA 0.422 4.891 4.470 -0.001 0.000 0.270 611 S C -2.356 171.095 174.600 -1.915 0.000 1.150 611 S CA -1.312 55.958 58.200 -1.550 0.000 0.850 611 S CB 2.063 64.450 63.200 -1.356 0.000 1.118 611 S HN 0.281 nan 8.310 nan 0.000 0.461 612 P HA -0.071 nan 4.420 nan 0.000 0.219 612 P C 0.697 177.768 177.300 -0.382 0.000 1.146 612 P CA 1.242 63.950 63.100 -0.654 0.000 0.808 612 P CB -0.295 31.283 31.700 -0.203 0.000 0.779 613 Y N -3.952 116.136 120.300 -0.354 0.000 2.458 613 Y HA 0.656 5.206 4.550 -0.001 0.000 0.256 613 Y C 1.912 177.694 175.900 -0.198 0.000 1.159 613 Y CA -0.239 57.732 58.100 -0.215 0.000 1.261 613 Y CB -1.242 37.111 38.460 -0.179 0.000 1.119 613 Y HN -0.212 nan 8.280 nan 0.000 0.524 614 A N 0.758 123.265 122.820 -0.522 0.000 2.139 614 A HA -0.136 4.183 4.320 -0.001 0.000 0.221 614 A C 0.631 178.148 177.584 -0.111 0.000 1.159 614 A CA 1.705 53.552 52.037 -0.316 0.000 0.662 614 A CB -0.872 17.886 19.000 -0.403 0.000 0.796 614 A HN 0.680 nan 8.150 nan 0.000 0.463 615 D N 0.000 120.353 120.400 -0.078 0.000 6.856 615 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 615 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 615 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683