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 2pf4_1_C DATA FIRST_RESID 13 DATA SEQUENCE IAVLIDELRN EDVQLRLNSI KKLSTIALAL GVERTRSELL PFLTDTIYDE DATA SEQUENCE DEVLLALAEQ LGTFTTLVGG PEYVHCLLPP LESLATVEET VVRDKAVESL DATA SEQUENCE RAISHEHSPS DLEAHFVPLV KRLAGGDWFT SRTSACGLFS VCYPRVSSAV DATA SEQUENCE KAELRQYFRN LCSDDTPMVR RAAASKLGEF AKVLELDNVK SEIIPMFSNL DATA SEQUENCE ASDEQDSVRL LAVEACVNIA QLLPQEDLEA LVMPTLRQAA EDKSWRVRYM DATA SEQUENCE VADKFTELQK AVGPEITKTD LVPAFQNLMK DCEAEVRAAA SHKVKEFCEN DATA SEQUENCE LSADCRENVI MTQILPCIKE LVSDANQHVK SALASVIMGL SPILGKDNTI DATA SEQUENCE EHLLPLFLAQ LKDECPEVRL NIISNLDCVN EVIGIRQLSQ SLLPAIVELA DATA SEQUENCE EDAKWRVRLA IIEYMPLLAG QLGVEFFDEK LNSLCMAWLV DHVYAIREAA DATA SEQUENCE TSNLKKLVEK FGKEWAHATI IPKVLAMSGD PNYLHRMTTL FCINVLSEVC DATA SEQUENCE GQDITTKHML PTVLRMAGDP VANVRFNVAK SLQKIGPILD NSTLQSEVKP DATA SEQUENCE ILEKLTQDQD VDVKYFAQEA LTVLSLA 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 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.024 176.117 -0.155 0.000 1.063 13 I CA 0.000 61.234 61.300 -0.110 0.000 1.566 13 I CB 0.000 37.951 38.000 -0.082 0.000 1.214 14 A N 1.183 123.934 122.820 -0.114 0.000 2.430 14 A HA 0.591 4.913 4.320 0.004 0.000 0.243 14 A C 1.904 179.444 177.584 -0.073 0.000 1.254 14 A CA 0.668 52.638 52.037 -0.112 0.000 0.914 14 A CB -0.248 18.707 19.000 -0.075 0.000 0.998 14 A HN 0.329 nan 8.150 nan 0.000 0.515 15 V N 0.147 120.024 119.914 -0.061 0.000 2.407 15 V HA -0.238 3.884 4.120 0.004 0.000 0.248 15 V C 2.431 178.511 176.094 -0.024 0.000 1.055 15 V CA 1.644 63.924 62.300 -0.034 0.000 1.049 15 V CB -0.746 31.061 31.823 -0.026 0.000 0.662 15 V HN 0.628 nan 8.190 nan 0.000 0.455 16 L N 0.254 121.450 121.223 -0.044 0.000 2.043 16 L HA -0.220 4.122 4.340 0.004 0.000 0.212 16 L C 2.333 179.230 176.870 0.045 0.000 1.075 16 L CA 2.428 57.265 54.840 -0.006 0.000 0.752 16 L CB -0.587 41.439 42.059 -0.055 0.000 0.891 16 L HN 0.349 nan 8.230 nan 0.000 0.432 17 I N -0.735 119.848 120.570 0.022 0.000 2.394 17 I HA -0.252 3.920 4.170 0.004 0.000 0.251 17 I C 2.031 178.180 176.117 0.053 0.000 1.136 17 I CA 0.864 62.210 61.300 0.077 0.000 1.425 17 I CB -0.515 37.518 38.000 0.055 0.000 1.079 17 I HN 0.203 nan 8.210 nan 0.000 0.425 18 D N 1.575 121.991 120.400 0.027 0.000 2.085 18 D HA -0.167 4.475 4.640 0.004 0.000 0.199 18 D C 2.087 178.402 176.300 0.025 0.000 0.981 18 D CA 1.515 55.528 54.000 0.021 0.000 0.834 18 D CB -0.415 40.391 40.800 0.010 0.000 0.992 18 D HN 0.555 nan 8.370 nan 0.000 0.457 19 E N 0.601 120.816 120.200 0.025 0.000 2.268 19 E HA -0.096 4.256 4.350 0.004 0.000 0.195 19 E C 1.771 178.391 176.600 0.034 0.000 0.995 19 E CA 0.366 56.781 56.400 0.026 0.000 0.836 19 E CB -0.164 29.550 29.700 0.023 0.000 0.763 19 E HN 0.182 nan 8.360 nan 0.000 0.491 20 L N 0.701 121.954 121.223 0.050 0.000 2.610 20 L HA 0.088 4.431 4.340 0.004 0.000 0.232 20 L C 1.679 178.574 176.870 0.041 0.000 1.149 20 L CA 0.646 55.519 54.840 0.055 0.000 0.872 20 L CB -0.381 41.737 42.059 0.097 0.000 0.992 20 L HN 0.083 nan 8.230 nan 0.000 0.447 21 R N 0.147 120.668 120.500 0.036 0.000 1.730 21 R HA 0.080 4.423 4.340 0.004 0.000 0.132 21 R C 1.264 177.577 176.300 0.021 0.000 2.109 21 R CA 0.730 56.847 56.100 0.029 0.000 1.772 21 R CB -0.414 29.904 30.300 0.028 0.000 1.311 21 R HN 0.122 nan 8.270 nan 0.000 0.482 22 N N 0.573 119.284 118.700 0.018 0.000 2.765 22 N HA -0.300 4.442 4.740 0.004 0.000 0.248 22 N C -0.931 174.586 175.510 0.013 0.000 1.063 22 N CA 1.466 54.525 53.050 0.015 0.000 0.862 22 N CB -0.542 37.954 38.487 0.015 0.000 1.145 22 N HN 0.590 nan 8.380 nan 0.000 0.581 23 E N -0.498 119.710 120.200 0.013 0.000 2.868 23 E HA -0.294 4.058 4.350 0.004 0.000 0.278 23 E C -0.897 175.710 176.600 0.011 0.000 1.009 23 E CA 1.007 57.414 56.400 0.011 0.000 0.856 23 E CB -1.803 27.903 29.700 0.010 0.000 1.428 23 E HN 0.617 nan 8.360 nan 0.000 0.423 24 D N -0.679 119.728 120.400 0.012 0.000 2.781 24 D HA -0.200 4.442 4.640 0.004 0.000 0.221 24 D C 0.749 177.055 176.300 0.010 0.000 1.224 24 D CA 1.134 55.141 54.000 0.011 0.000 0.625 24 D CB -0.685 40.121 40.800 0.010 0.000 0.987 24 D HN 0.347 nan 8.370 nan 0.000 0.402 25 V N -0.442 119.478 119.914 0.010 0.000 4.164 25 V HA -0.126 3.997 4.120 0.004 0.000 0.262 25 V C 2.043 178.143 176.094 0.010 0.000 0.858 25 V CA 0.159 62.464 62.300 0.009 0.000 0.792 25 V CB -0.005 31.823 31.823 0.009 0.000 1.143 25 V HN 0.157 nan 8.190 nan 0.000 0.368 26 Q N -0.828 118.978 119.800 0.010 0.000 2.291 26 Q HA -0.066 4.277 4.340 0.004 0.000 0.205 26 Q C 1.559 177.566 176.000 0.012 0.000 0.970 26 Q CA 1.209 57.019 55.803 0.011 0.000 0.876 26 Q CB -0.632 28.112 28.738 0.010 0.000 0.935 26 Q HN 0.601 nan 8.270 nan 0.000 0.455 27 L N -0.381 120.849 121.223 0.012 0.000 2.456 27 L HA -0.119 4.224 4.340 0.004 0.000 0.224 27 L C 2.479 179.358 176.870 0.016 0.000 1.148 27 L CA 1.722 56.570 54.840 0.013 0.000 0.825 27 L CB -0.527 41.539 42.059 0.012 0.000 0.937 27 L HN 0.257 nan 8.230 nan 0.000 0.450 28 R N -0.822 119.686 120.500 0.014 0.000 2.055 28 R HA -0.063 4.280 4.340 0.004 0.000 0.228 28 R C 1.845 178.155 176.300 0.016 0.000 1.143 28 R CA 1.679 57.788 56.100 0.015 0.000 0.945 28 R CB -1.410 28.897 30.300 0.011 0.000 0.841 28 R HN 0.223 nan 8.270 nan 0.000 0.429 29 L N 1.684 122.916 121.223 0.014 0.000 1.955 29 L HA -0.196 4.146 4.340 0.004 0.000 0.213 29 L C 1.958 178.840 176.870 0.021 0.000 1.072 29 L CA 2.059 56.909 54.840 0.016 0.000 0.755 29 L CB -1.491 40.577 42.059 0.014 0.000 0.888 29 L HN 0.394 nan 8.230 nan 0.000 0.432 30 N N -0.476 118.235 118.700 0.019 0.000 2.405 30 N HA -0.170 4.572 4.740 0.004 0.000 0.189 30 N C 1.993 177.517 175.510 0.022 0.000 1.021 30 N CA 1.355 54.416 53.050 0.019 0.000 0.891 30 N CB -0.171 38.325 38.487 0.015 0.000 0.955 30 N HN 0.258 nan 8.380 nan 0.000 0.443 31 S N -0.892 114.824 115.700 0.025 0.000 2.506 31 S HA 0.261 4.734 4.470 0.004 0.000 0.219 31 S C 1.454 176.079 174.600 0.041 0.000 1.031 31 S CA -0.462 57.757 58.200 0.030 0.000 0.911 31 S CB 0.252 63.469 63.200 0.029 0.000 0.812 31 S HN 0.083 nan 8.310 nan 0.000 0.497 32 I N 2.068 122.662 120.570 0.039 0.000 2.761 32 I HA 0.063 4.235 4.170 0.004 0.000 0.261 32 I C 1.467 177.620 176.117 0.060 0.000 1.198 32 I CA 1.062 62.389 61.300 0.046 0.000 1.482 32 I CB -0.337 37.677 38.000 0.024 0.000 1.100 32 I HN 0.318 nan 8.210 nan 0.000 0.445 33 K N 0.216 120.647 120.400 0.053 0.000 2.305 33 K HA -0.125 4.197 4.320 0.004 0.000 0.199 33 K C 1.613 178.251 176.600 0.064 0.000 1.047 33 K CA 0.386 56.710 56.287 0.061 0.000 0.976 33 K CB 0.036 32.562 32.500 0.042 0.000 0.765 33 K HN -0.126 nan 8.250 nan 0.000 0.474 34 K N 1.662 122.095 120.400 0.054 0.000 2.589 34 K HA 0.048 4.371 4.320 0.004 0.000 0.192 34 K C 1.355 177.997 176.600 0.069 0.000 1.029 34 K CA 0.220 56.535 56.287 0.046 0.000 1.031 34 K CB -0.281 32.239 32.500 0.033 0.000 0.821 34 K HN 0.098 nan 8.250 nan 0.000 0.502 35 L N -0.157 121.137 121.223 0.118 0.000 2.131 35 L HA -0.201 4.141 4.340 0.004 0.000 0.210 35 L C 1.790 178.795 176.870 0.225 0.000 1.092 35 L CA 1.485 56.449 54.840 0.207 0.000 0.759 35 L CB -0.268 41.963 42.059 0.286 0.000 0.903 35 L HN 0.336 nan 8.230 nan 0.000 0.435 36 S N -1.794 113.962 115.700 0.094 0.000 2.402 36 S HA -0.168 4.305 4.470 0.004 0.000 0.229 36 S C 1.854 176.406 174.600 -0.079 0.000 1.021 36 S CA 1.333 59.465 58.200 -0.114 0.000 0.974 36 S CB -0.892 62.226 63.200 -0.138 0.000 0.800 36 S HN 0.589 nan 8.310 nan 0.000 0.484 37 T N 1.582 116.124 114.554 -0.019 0.000 2.735 37 T HA 0.107 4.459 4.350 0.004 0.000 0.256 37 T C 1.746 176.442 174.700 -0.006 0.000 1.042 37 T CA 0.838 62.927 62.100 -0.018 0.000 1.147 37 T CB -0.908 67.955 68.868 -0.008 0.000 0.865 37 T HN 0.240 nan 8.240 nan 0.000 0.421 38 I N 2.852 123.432 120.570 0.017 0.000 2.182 38 I HA -0.267 3.906 4.170 0.004 0.000 0.248 38 I C 2.939 179.068 176.117 0.019 0.000 1.073 38 I CA 1.651 62.961 61.300 0.017 0.000 1.335 38 I CB -0.715 37.303 38.000 0.030 0.000 1.031 38 I HN 0.423 nan 8.210 nan 0.000 0.420 39 A N -0.322 122.523 122.820 0.041 0.000 1.854 39 A HA -0.086 4.236 4.320 0.004 0.000 0.214 39 A C 2.292 179.865 177.584 -0.018 0.000 1.192 39 A CA 1.308 53.367 52.037 0.037 0.000 0.611 39 A CB -0.847 18.193 19.000 0.068 0.000 0.832 39 A HN 0.387 nan 8.150 nan 0.000 0.442 40 L N -0.710 120.485 121.223 -0.047 0.000 2.201 40 L HA -0.124 4.218 4.340 0.004 0.000 0.212 40 L C 2.959 179.810 176.870 -0.031 0.000 1.105 40 L CA 0.707 55.518 54.840 -0.049 0.000 0.775 40 L CB -0.318 41.703 42.059 -0.063 0.000 0.913 40 L HN 0.467 nan 8.230 nan 0.000 0.440 41 A N 0.226 123.031 122.820 -0.024 0.000 1.930 41 A HA 0.063 4.385 4.320 0.004 0.000 0.217 41 A C 1.338 178.910 177.584 -0.021 0.000 1.175 41 A CA 1.374 53.399 52.037 -0.020 0.000 0.627 41 A CB -0.933 18.057 19.000 -0.017 0.000 0.815 41 A HN 0.187 nan 8.150 nan 0.000 0.443 42 L N -1.105 120.106 121.223 -0.019 0.000 2.490 42 L HA 0.671 5.013 4.340 0.004 0.000 0.245 42 L C 1.046 177.903 176.870 -0.020 0.000 1.185 42 L CA -0.421 54.406 54.840 -0.021 0.000 0.813 42 L CB -1.216 40.831 42.059 -0.021 0.000 1.233 42 L HN 0.597 nan 8.230 nan 0.000 0.489 43 G N -0.883 107.904 108.800 -0.022 0.000 2.441 43 G HA2 0.491 4.453 3.960 0.004 0.000 0.243 43 G HA3 0.491 4.453 3.960 0.004 0.000 0.243 43 G C 0.612 175.500 174.900 -0.021 0.000 1.281 43 G CA 0.468 45.555 45.100 -0.021 0.000 0.854 43 G HN 2.079 nan 8.290 nan 0.000 0.560 44 V N 0.297 120.200 119.914 -0.018 0.000 3.102 44 V HA 0.274 4.397 4.120 0.004 0.000 0.371 44 V C 0.700 176.781 176.094 -0.021 0.000 1.414 44 V CA 0.824 63.115 62.300 -0.015 0.000 1.565 44 V CB -0.623 31.194 31.823 -0.011 0.000 1.273 44 V HN 0.853 nan 8.190 nan 0.000 0.478 45 E N 0.533 120.706 120.200 -0.045 0.000 2.314 45 E HA -0.002 4.350 4.350 0.004 0.000 0.216 45 E C 1.755 178.301 176.600 -0.091 0.000 1.048 45 E CA -0.201 56.143 56.400 -0.092 0.000 1.575 45 E CB 0.248 29.904 29.700 -0.074 0.000 3.354 45 E HN 0.453 nan 8.360 nan 0.000 1.075 46 R N 0.929 121.396 120.500 -0.055 0.000 2.103 46 R HA -0.096 4.247 4.340 0.004 0.000 0.242 46 R C 2.089 178.365 176.300 -0.040 0.000 1.142 46 R CA 2.032 58.104 56.100 -0.047 0.000 0.960 46 R CB -1.098 29.181 30.300 -0.035 0.000 0.858 46 R HN 0.193 nan 8.270 nan 0.000 0.439 47 T N 0.934 115.476 114.554 -0.020 0.000 2.620 47 T HA -0.255 4.097 4.350 0.004 0.000 0.267 47 T C 1.888 176.578 174.700 -0.017 0.000 1.044 47 T CA 1.938 64.046 62.100 0.013 0.000 1.161 47 T CB -0.271 68.637 68.868 0.067 0.000 0.862 47 T HN 0.356 nan 8.240 nan 0.000 0.438 48 R N 0.635 121.094 120.500 -0.068 0.000 2.096 48 R HA -0.157 4.185 4.340 0.004 0.000 0.240 48 R C 2.843 179.099 176.300 -0.075 0.000 1.139 48 R CA 2.031 58.066 56.100 -0.109 0.000 0.952 48 R CB -0.251 29.915 30.300 -0.224 0.000 0.854 48 R HN 0.596 nan 8.270 nan 0.000 0.436 49 S N -0.780 114.880 115.700 -0.067 0.000 2.371 49 S HA -0.069 4.403 4.470 0.004 0.000 0.221 49 S C 1.761 176.349 174.600 -0.020 0.000 1.036 49 S CA 0.676 58.850 58.200 -0.043 0.000 0.965 49 S CB -0.046 63.126 63.200 -0.047 0.000 0.845 49 S HN 0.337 nan 8.310 nan 0.000 0.475 50 E N 1.659 121.845 120.200 -0.024 0.000 2.025 50 E HA 0.070 4.422 4.350 0.004 0.000 0.198 50 E C 1.714 178.319 176.600 0.009 0.000 0.955 50 E CA 0.901 57.285 56.400 -0.026 0.000 0.862 50 E CB -0.289 29.377 29.700 -0.058 0.000 0.837 50 E HN 0.437 nan 8.360 nan 0.000 0.488 51 L N 0.405 121.630 121.223 0.004 0.000 2.610 51 L HA 0.196 4.539 4.340 0.004 0.000 0.232 51 L C 1.692 178.644 176.870 0.137 0.000 1.149 51 L CA 1.025 55.918 54.840 0.088 0.000 0.872 51 L CB -1.011 41.071 42.059 0.037 0.000 0.992 51 L HN 0.237 nan 8.230 nan 0.000 0.447 52 L N 0.185 121.440 121.223 0.053 0.000 1.973 52 L HA -0.037 4.306 4.340 0.004 0.000 0.208 52 L C 0.227 177.110 176.870 0.021 0.000 1.073 52 L CA 1.519 56.363 54.840 0.006 0.000 0.746 52 L CB -1.616 40.427 42.059 -0.027 0.000 0.891 52 L HN 0.250 nan 8.230 nan 0.000 0.433 53 P HA -0.243 nan 4.420 nan 0.000 0.216 53 P C 1.557 178.892 177.300 0.058 0.000 1.150 53 P CA 1.440 64.562 63.100 0.037 0.000 0.843 53 P CB -0.148 31.579 31.700 0.045 0.000 0.787 54 F N -0.145 119.779 119.950 -0.043 0.000 2.202 54 F HA -0.179 4.351 4.527 0.004 0.000 0.301 54 F C 1.585 177.341 175.800 -0.073 0.000 1.082 54 F CA 1.284 59.257 58.000 -0.045 0.000 1.313 54 F CB -0.564 38.412 39.000 -0.040 0.000 1.024 54 F HN -0.218 nan 8.300 nan 0.000 0.495 55 L N 0.067 121.207 121.223 -0.138 0.000 2.418 55 L HA -0.023 4.319 4.340 0.004 0.000 0.218 55 L C 2.235 178.934 176.870 -0.285 0.000 1.125 55 L CA 1.492 56.168 54.840 -0.272 0.000 0.835 55 L CB -1.225 40.756 42.059 -0.131 0.000 0.953 55 L HN 0.141 nan 8.230 nan 0.000 0.454 56 T N -0.672 113.772 114.554 -0.183 0.000 2.942 56 T HA -0.044 4.308 4.350 0.004 0.000 0.265 56 T C 0.402 175.046 174.700 -0.093 0.000 1.062 56 T CA 1.217 63.245 62.100 -0.119 0.000 1.139 56 T CB -0.208 68.632 68.868 -0.048 0.000 0.883 56 T HN 0.465 nan 8.240 nan 0.000 0.468 57 D N -0.185 120.141 120.400 -0.123 0.000 2.837 57 D HA 0.298 4.940 4.640 0.004 0.000 0.340 57 D C 0.517 176.814 176.300 -0.006 0.000 1.451 57 D CA -0.275 53.747 54.000 0.037 0.000 0.798 57 D CB 0.410 41.243 40.800 0.054 0.000 1.169 57 D HN 0.046 nan 8.370 nan 0.000 0.449 58 T N -0.847 113.527 114.554 -0.299 0.000 3.507 58 T HA 0.221 4.574 4.350 0.004 0.000 0.280 58 T C 0.531 174.945 174.700 -0.477 0.000 0.976 58 T CA -0.130 61.775 62.100 -0.325 0.000 1.096 58 T CB 0.416 68.915 68.868 -0.614 0.000 1.168 58 T HN 0.076 nan 8.240 nan 0.000 0.463 59 I N 2.858 122.978 120.570 -0.750 0.000 2.389 59 I HA 0.205 4.377 4.170 0.004 0.000 0.295 59 I C -1.000 174.641 176.117 -0.792 0.000 1.117 59 I CA 0.279 61.223 61.300 -0.594 0.000 1.317 59 I CB -0.226 37.520 38.000 -0.424 0.000 1.431 59 I HN 0.368 nan 8.210 nan 0.000 0.521 60 Y N 4.031 124.284 120.300 -0.077 0.000 2.470 60 Y HA 0.301 4.853 4.550 0.004 0.000 0.352 60 Y C -0.011 175.863 175.900 -0.044 0.000 0.967 60 Y CA -0.836 57.230 58.100 -0.057 0.000 1.121 60 Y CB 0.559 38.986 38.460 -0.054 0.000 1.149 60 Y HN 0.524 nan 8.280 nan 0.000 0.641 61 D N 0.192 120.612 120.400 0.033 0.000 2.589 61 D HA 0.185 4.827 4.640 0.004 0.000 0.268 61 D C -0.282 176.028 176.300 0.016 0.000 1.182 61 D CA -0.572 53.440 54.000 0.019 0.000 1.087 61 D CB 0.821 41.616 40.800 -0.008 0.000 1.186 61 D HN 0.323 nan 8.370 nan 0.000 0.620 62 E N -0.963 119.242 120.200 0.008 0.000 2.418 62 E HA -0.001 4.352 4.350 0.004 0.000 0.261 62 E C 0.199 176.801 176.600 0.004 0.000 1.070 62 E CA 0.059 56.463 56.400 0.007 0.000 0.931 62 E CB 0.740 30.444 29.700 0.006 0.000 0.954 62 E HN 0.439 nan 8.360 nan 0.000 0.439 63 D N 2.142 122.545 120.400 0.005 0.000 2.219 63 D HA -0.216 4.427 4.640 0.004 0.000 0.205 63 D C 1.448 177.751 176.300 0.005 0.000 0.970 63 D CA 0.936 54.939 54.000 0.005 0.000 0.851 63 D CB -0.104 40.700 40.800 0.007 0.000 0.943 63 D HN 0.588 nan 8.370 nan 0.000 0.488 64 E N 0.566 120.770 120.200 0.006 0.000 2.118 64 E HA -0.191 4.162 4.350 0.004 0.000 0.195 64 E C 1.826 178.429 176.600 0.005 0.000 0.992 64 E CA 1.116 57.521 56.400 0.007 0.000 0.804 64 E CB 0.144 29.849 29.700 0.009 0.000 0.741 64 E HN 0.226 nan 8.360 nan 0.000 0.458 65 V N 0.747 120.661 119.914 0.000 0.000 2.323 65 V HA -0.225 3.898 4.120 0.004 0.000 0.244 65 V C 2.305 178.389 176.094 -0.016 0.000 1.041 65 V CA 1.024 63.321 62.300 -0.006 0.000 1.025 65 V CB -0.383 31.434 31.823 -0.011 0.000 0.656 65 V HN 0.252 nan 8.190 nan 0.000 0.451 66 L N -0.610 120.601 121.223 -0.021 0.000 2.083 66 L HA -0.119 4.223 4.340 0.004 0.000 0.209 66 L C 2.238 179.097 176.870 -0.018 0.000 1.083 66 L CA 1.551 56.372 54.840 -0.031 0.000 0.752 66 L CB -1.097 40.947 42.059 -0.024 0.000 0.899 66 L HN 0.226 nan 8.230 nan 0.000 0.433 67 L N -0.897 120.324 121.223 -0.003 0.000 2.042 67 L HA -0.269 4.074 4.340 0.004 0.000 0.210 67 L C 2.625 179.501 176.870 0.010 0.000 1.076 67 L CA 1.392 56.236 54.840 0.007 0.000 0.749 67 L CB -0.587 41.479 42.059 0.012 0.000 0.893 67 L HN 0.310 nan 8.230 nan 0.000 0.432 68 A N -0.568 122.257 122.820 0.009 0.000 1.902 68 A HA -0.221 4.102 4.320 0.004 0.000 0.217 68 A C 2.135 179.729 177.584 0.016 0.000 1.181 68 A CA 1.616 53.664 52.037 0.018 0.000 0.623 68 A CB -0.621 18.390 19.000 0.018 0.000 0.818 68 A HN 0.329 nan 8.150 nan 0.000 0.443 69 L N -0.212 121.005 121.223 -0.010 0.000 2.005 69 L HA -0.002 4.340 4.340 0.004 0.000 0.207 69 L C 2.716 179.562 176.870 -0.039 0.000 1.072 69 L CA 2.183 56.999 54.840 -0.039 0.000 0.744 69 L CB -1.143 40.868 42.059 -0.079 0.000 0.895 69 L HN 0.349 nan 8.230 nan 0.000 0.433 70 A N -0.731 122.074 122.820 -0.025 0.000 1.873 70 A HA -0.318 4.005 4.320 0.004 0.000 0.218 70 A C 2.341 179.937 177.584 0.020 0.000 1.193 70 A CA 2.136 54.167 52.037 -0.009 0.000 0.629 70 A CB -0.935 18.066 19.000 0.002 0.000 0.826 70 A HN 0.620 nan 8.150 nan 0.000 0.447 71 E N -1.174 119.046 120.200 0.034 0.000 2.058 71 E HA -0.268 4.085 4.350 0.004 0.000 0.194 71 E C 2.270 178.924 176.600 0.090 0.000 0.997 71 E CA 1.319 57.753 56.400 0.056 0.000 0.801 71 E CB -0.148 29.581 29.700 0.050 0.000 0.746 71 E HN 0.521 nan 8.360 nan 0.000 0.450 72 Q N 0.246 120.107 119.800 0.102 0.000 2.029 72 Q HA -0.210 4.132 4.340 0.004 0.000 0.209 72 Q C 2.276 178.443 176.000 0.279 0.000 0.999 72 Q CA 1.184 57.114 55.803 0.213 0.000 0.857 72 Q CB -0.573 28.278 28.738 0.188 0.000 0.926 72 Q HN 0.282 nan 8.270 nan 0.000 0.415 73 L N -0.155 121.098 121.223 0.050 0.000 2.127 73 L HA -0.100 4.242 4.340 0.004 0.000 0.211 73 L C 2.262 179.210 176.870 0.129 0.000 1.089 73 L CA 1.968 56.787 54.840 -0.036 0.000 0.757 73 L CB -1.486 40.501 42.059 -0.120 0.000 0.899 73 L HN 0.313 nan 8.230 nan 0.000 0.434 74 G N -1.739 107.138 108.800 0.127 0.000 2.501 74 G HA2 -0.208 3.754 3.960 0.004 0.000 0.220 74 G HA3 -0.208 3.754 3.960 0.004 0.000 0.220 74 G C 1.111 176.101 174.900 0.150 0.000 1.114 74 G CA 1.238 46.415 45.100 0.128 0.000 0.757 74 G HN 0.485 nan 8.290 nan 0.000 0.559 75 T N -3.631 111.052 114.554 0.216 0.000 3.266 75 T HA 0.411 4.764 4.350 0.004 0.000 0.278 75 T C 0.768 175.548 174.700 0.133 0.000 1.010 75 T CA -0.582 61.606 62.100 0.148 0.000 0.909 75 T CB -0.196 68.722 68.868 0.083 0.000 1.122 75 T HN -0.004 nan 8.240 nan 0.000 0.536 76 F N 1.291 121.246 119.950 0.008 0.000 2.695 76 F HA 0.272 4.801 4.527 0.004 0.000 0.303 76 F C 2.247 178.046 175.800 -0.003 0.000 1.091 76 F CA -0.451 57.550 58.000 0.001 0.000 1.300 76 F CB -0.047 38.953 39.000 -0.000 0.000 1.071 76 F HN 0.160 nan 8.300 nan 0.000 0.578 77 T N -1.023 113.605 114.554 0.124 0.000 2.597 77 T HA -0.310 4.042 4.350 0.004 0.000 0.267 77 T C 2.227 176.946 174.700 0.033 0.000 1.053 77 T CA 2.444 64.581 62.100 0.061 0.000 1.165 77 T CB -0.629 68.260 68.868 0.034 0.000 0.863 77 T HN 0.242 nan 8.240 nan 0.000 0.427 78 T N 0.428 114.982 114.554 -0.001 0.000 2.995 78 T HA 0.066 4.419 4.350 0.004 0.000 0.269 78 T C 1.524 176.207 174.700 -0.029 0.000 1.091 78 T CA 0.364 62.455 62.100 -0.016 0.000 1.128 78 T CB -0.278 68.571 68.868 -0.033 0.000 0.891 78 T HN 0.073 nan 8.240 nan 0.000 0.492 79 L N 0.645 121.828 121.223 -0.068 0.000 2.591 79 L HA 0.364 4.706 4.340 0.004 0.000 0.228 79 L C 1.776 178.649 176.870 0.006 0.000 1.133 79 L CA 0.544 55.319 54.840 -0.108 0.000 0.880 79 L CB 0.373 42.212 42.059 -0.367 0.000 1.033 79 L HN 0.188 nan 8.230 nan 0.000 0.450 80 V N -2.280 117.670 119.914 0.060 0.000 3.604 80 V HA 0.489 4.611 4.120 0.004 0.000 0.277 80 V C 1.324 177.480 176.094 0.104 0.000 1.399 80 V CA 0.870 63.213 62.300 0.072 0.000 1.034 80 V CB 0.906 32.782 31.823 0.088 0.000 0.824 80 V HN 0.436 nan 8.190 nan 0.000 0.439 81 G N -1.305 107.585 108.800 0.149 0.000 3.246 81 G HA2 0.370 4.332 3.960 0.004 0.000 0.218 81 G HA3 0.370 4.332 3.960 0.004 0.000 0.218 81 G C 1.053 176.027 174.900 0.124 0.000 0.978 81 G CA 0.532 45.791 45.100 0.264 0.000 0.825 81 G HN 1.713 nan 8.290 nan 0.000 0.546 82 G N 0.011 108.853 108.800 0.070 0.000 2.428 82 G HA2 0.171 4.134 3.960 0.004 0.000 0.202 82 G HA3 0.171 4.134 3.960 0.004 0.000 0.202 82 G C -1.426 173.458 174.900 -0.028 0.000 1.247 82 G CA 0.343 45.447 45.100 0.006 0.000 1.020 82 G HN 0.371 nan 8.290 nan 0.000 0.529 83 P HA -0.022 nan 4.420 nan 0.000 0.216 83 P C 1.611 178.842 177.300 -0.114 0.000 1.150 83 P CA 1.861 64.916 63.100 -0.074 0.000 0.843 83 P CB -0.028 31.640 31.700 -0.053 0.000 0.787 84 E N -1.549 118.541 120.200 -0.183 0.000 2.086 84 E HA -0.205 4.148 4.350 0.004 0.000 0.200 84 E C 0.708 177.138 176.600 -0.283 0.000 1.012 84 E CA 1.278 57.477 56.400 -0.335 0.000 0.812 84 E CB -0.342 28.951 29.700 -0.678 0.000 0.743 84 E HN 0.466 nan 8.360 nan 0.000 0.453 85 Y N -0.499 119.754 120.300 -0.079 0.000 2.720 85 Y HA 0.072 4.625 4.550 0.004 0.000 0.277 85 Y C 1.531 177.189 175.900 -0.403 0.000 1.144 85 Y CA -0.749 57.194 58.100 -0.260 0.000 1.221 85 Y CB 0.619 38.970 38.460 -0.182 0.000 1.163 85 Y HN -0.048 nan 8.280 nan 0.000 0.537 86 V N -2.205 117.592 119.914 -0.196 0.000 2.515 86 V HA -0.293 3.829 4.120 0.004 0.000 0.250 86 V C 2.322 178.267 176.094 -0.248 0.000 1.058 86 V CA 2.140 64.290 62.300 -0.250 0.000 1.064 86 V CB -0.830 30.741 31.823 -0.420 0.000 0.675 86 V HN 0.612 nan 8.190 nan 0.000 0.461 87 H N -0.493 118.472 119.070 -0.175 0.000 2.518 87 H HA -0.095 4.463 4.556 0.004 0.000 0.292 87 H C 2.042 177.336 175.328 -0.058 0.000 1.068 87 H CA 1.563 57.547 56.048 -0.107 0.000 1.275 87 H CB -1.040 28.429 29.762 -0.489 0.000 1.375 87 H HN 0.544 nan 8.280 nan 0.000 0.563 88 C N 0.815 119.895 119.300 -0.366 0.000 2.481 88 C HA 0.119 4.582 4.460 0.004 0.000 0.275 88 C C 2.773 177.717 174.990 -0.077 0.000 1.419 88 C CA -0.059 58.846 59.018 -0.187 0.000 1.773 88 C CB -0.952 26.645 27.740 -0.238 0.000 1.862 88 C HN 0.466 nan 8.230 nan 0.000 0.530 89 L N 0.185 121.377 121.223 -0.051 0.000 2.554 89 L HA 0.049 4.391 4.340 0.004 0.000 0.226 89 L C 2.131 179.015 176.870 0.024 0.000 1.137 89 L CA 0.466 55.297 54.840 -0.015 0.000 0.863 89 L CB -0.252 41.814 42.059 0.011 0.000 0.985 89 L HN 0.407 nan 8.230 nan 0.000 0.451 90 L N -0.147 121.114 121.223 0.063 0.000 2.005 90 L HA -0.095 4.247 4.340 0.004 0.000 0.207 90 L C -0.154 176.724 176.870 0.014 0.000 1.072 90 L CA 1.153 56.035 54.840 0.070 0.000 0.744 90 L CB -1.952 40.173 42.059 0.109 0.000 0.895 90 L HN 0.173 nan 8.230 nan 0.000 0.433 91 P HA -0.177 nan 4.420 nan 0.000 0.215 91 P C -1.388 175.898 177.300 -0.023 0.000 1.163 91 P CA 1.916 65.013 63.100 -0.006 0.000 0.894 91 P CB -1.242 30.458 31.700 0.001 0.000 0.791 92 P HA -0.064 nan 4.420 nan 0.000 0.222 92 P C 1.707 178.971 177.300 -0.060 0.000 1.153 92 P CA 1.195 64.253 63.100 -0.070 0.000 0.798 92 P CB -0.305 31.328 31.700 -0.111 0.000 0.796 93 L N 0.057 121.256 121.223 -0.041 0.000 2.023 93 L HA -0.085 4.257 4.340 0.004 0.000 0.205 93 L C 2.871 179.728 176.870 -0.021 0.000 1.073 93 L CA 1.411 56.237 54.840 -0.023 0.000 0.745 93 L CB -0.944 41.119 42.059 0.008 0.000 0.900 93 L HN -0.012 nan 8.230 nan 0.000 0.435 94 E N -0.534 119.647 120.200 -0.031 0.000 2.187 94 E HA -0.296 4.056 4.350 0.004 0.000 0.199 94 E C 2.203 178.789 176.600 -0.023 0.000 1.004 94 E CA 1.563 57.934 56.400 -0.049 0.000 0.813 94 E CB 0.054 29.714 29.700 -0.066 0.000 0.736 94 E HN 0.312 nan 8.360 nan 0.000 0.468 95 S N -0.600 115.098 115.700 -0.003 0.000 2.395 95 S HA 0.001 4.474 4.470 0.004 0.000 0.225 95 S C 1.872 176.503 174.600 0.053 0.000 1.027 95 S CA 0.370 58.594 58.200 0.040 0.000 0.965 95 S CB -0.036 63.203 63.200 0.065 0.000 0.812 95 S HN 0.297 nan 8.310 nan 0.000 0.482 96 L N 1.286 122.518 121.223 0.015 0.000 2.156 96 L HA 0.109 4.451 4.340 0.004 0.000 0.208 96 L C 2.545 179.422 176.870 0.011 0.000 1.095 96 L CA 0.999 55.845 54.840 0.011 0.000 0.770 96 L CB -0.477 41.573 42.059 -0.016 0.000 0.914 96 L HN 0.355 nan 8.230 nan 0.000 0.439 97 A N -1.333 121.488 122.820 0.002 0.000 2.264 97 A HA -0.076 4.247 4.320 0.004 0.000 0.207 97 A C 1.845 179.428 177.584 -0.002 0.000 1.196 97 A CA 1.569 53.603 52.037 -0.006 0.000 0.778 97 A CB -0.553 18.432 19.000 -0.025 0.000 0.779 97 A HN 0.385 nan 8.150 nan 0.000 0.483 98 T N -1.468 113.100 114.554 0.023 0.000 2.969 98 T HA 0.189 4.541 4.350 0.004 0.000 0.258 98 T C 0.448 175.177 174.700 0.048 0.000 0.962 98 T CA -0.107 62.033 62.100 0.066 0.000 0.903 98 T CB 0.159 69.098 68.868 0.119 0.000 1.177 98 T HN 0.040 nan 8.240 nan 0.000 0.511 99 V N 2.815 122.742 119.914 0.022 0.000 3.032 99 V HA -0.005 4.117 4.120 0.004 0.000 0.307 99 V C 1.814 177.860 176.094 -0.081 0.000 1.097 99 V CA 0.559 62.853 62.300 -0.010 0.000 1.191 99 V CB 0.794 32.629 31.823 0.019 0.000 0.964 99 V HN 0.442 nan 8.190 nan 0.000 0.494 100 E N 1.661 121.794 120.200 -0.112 0.000 2.077 100 E HA -0.185 4.167 4.350 0.004 0.000 0.193 100 E C 1.029 177.590 176.600 -0.065 0.000 0.989 100 E CA 1.031 57.350 56.400 -0.135 0.000 0.800 100 E CB 0.198 29.822 29.700 -0.126 0.000 0.746 100 E HN 0.773 nan 8.360 nan 0.000 0.452 101 E N 0.375 120.555 120.200 -0.033 0.000 2.129 101 E HA -0.031 4.321 4.350 0.004 0.000 0.283 101 E C 0.648 177.249 176.600 0.001 0.000 1.080 101 E CA 0.303 56.699 56.400 -0.007 0.000 0.867 101 E CB 1.152 30.851 29.700 -0.001 0.000 1.056 101 E HN 0.075 nan 8.360 nan 0.000 0.404 102 T N 2.442 117.006 114.554 0.015 0.000 2.881 102 T HA -0.148 4.204 4.350 0.004 0.000 0.270 102 T C 1.621 176.335 174.700 0.023 0.000 1.068 102 T CA 1.528 63.643 62.100 0.024 0.000 1.131 102 T CB -0.242 68.652 68.868 0.044 0.000 0.871 102 T HN 0.312 nan 8.240 nan 0.000 0.479 103 V N 1.130 121.057 119.914 0.021 0.000 2.453 103 V HA -0.144 3.979 4.120 0.004 0.000 0.252 103 V C 2.757 178.863 176.094 0.019 0.000 1.068 103 V CA 1.788 64.100 62.300 0.021 0.000 1.070 103 V CB -0.519 31.315 31.823 0.019 0.000 0.664 103 V HN 0.492 nan 8.190 nan 0.000 0.461 104 V N -0.365 119.558 119.914 0.014 0.000 2.273 104 V HA -0.156 3.966 4.120 0.004 0.000 0.242 104 V C 2.474 178.576 176.094 0.013 0.000 1.035 104 V CA 1.715 64.022 62.300 0.011 0.000 1.013 104 V CB -0.805 31.021 31.823 0.006 0.000 0.652 104 V HN 0.418 nan 8.190 nan 0.000 0.452 105 R N 0.476 120.982 120.500 0.009 0.000 2.134 105 R HA -0.251 4.091 4.340 0.004 0.000 0.248 105 R C 2.018 178.331 176.300 0.022 0.000 1.143 105 R CA 2.108 58.214 56.100 0.010 0.000 0.957 105 R CB -0.838 29.465 30.300 0.004 0.000 0.867 105 R HN 0.537 nan 8.270 nan 0.000 0.441 106 D N 0.472 120.889 120.400 0.028 0.000 2.104 106 D HA -0.134 4.509 4.640 0.004 0.000 0.194 106 D C 1.867 178.192 176.300 0.041 0.000 0.994 106 D CA 1.075 55.097 54.000 0.038 0.000 0.830 106 D CB -0.118 40.706 40.800 0.039 0.000 0.959 106 D HN 0.061 nan 8.370 nan 0.000 0.452 107 K N 0.628 121.049 120.400 0.035 0.000 2.148 107 K HA -0.008 4.314 4.320 0.004 0.000 0.204 107 K C 1.972 178.596 176.600 0.040 0.000 1.050 107 K CA 0.691 57.000 56.287 0.037 0.000 0.942 107 K CB -0.213 32.305 32.500 0.030 0.000 0.724 107 K HN 0.047 nan 8.250 nan 0.000 0.446 108 A N 0.807 123.645 122.820 0.031 0.000 1.877 108 A HA -0.127 4.195 4.320 0.004 0.000 0.216 108 A C 2.428 180.039 177.584 0.045 0.000 1.186 108 A CA 1.651 53.705 52.037 0.028 0.000 0.620 108 A CB -0.676 18.331 19.000 0.013 0.000 0.822 108 A HN 0.070 nan 8.150 nan 0.000 0.443 109 V N 0.141 120.083 119.914 0.046 0.000 2.407 109 V HA -0.252 3.871 4.120 0.004 0.000 0.248 109 V C 2.519 178.667 176.094 0.091 0.000 1.055 109 V CA 2.181 64.519 62.300 0.063 0.000 1.049 109 V CB -0.716 31.141 31.823 0.056 0.000 0.662 109 V HN 0.708 nan 8.190 nan 0.000 0.455 110 E N 0.336 120.583 120.200 0.079 0.000 2.085 110 E HA -0.218 4.135 4.350 0.004 0.000 0.194 110 E C 2.289 178.948 176.600 0.098 0.000 0.994 110 E CA 1.837 58.288 56.400 0.085 0.000 0.801 110 E CB -0.018 29.723 29.700 0.068 0.000 0.743 110 E HN 0.662 nan 8.360 nan 0.000 0.453 111 S N 0.538 116.293 115.700 0.092 0.000 2.414 111 S HA -0.036 4.437 4.470 0.004 0.000 0.227 111 S C 2.021 176.706 174.600 0.141 0.000 1.022 111 S CA 0.359 58.621 58.200 0.103 0.000 0.958 111 S CB -0.089 63.160 63.200 0.082 0.000 0.797 111 S HN 0.222 nan 8.310 nan 0.000 0.493 112 L N 1.123 122.439 121.223 0.154 0.000 2.056 112 L HA -0.060 4.282 4.340 0.004 0.000 0.207 112 L C 2.773 179.818 176.870 0.292 0.000 1.078 112 L CA 1.216 56.203 54.840 0.245 0.000 0.749 112 L CB -0.312 41.866 42.059 0.199 0.000 0.901 112 L HN 0.213 nan 8.230 nan 0.000 0.433 113 R N -0.449 120.182 120.500 0.218 0.000 2.105 113 R HA -0.168 4.174 4.340 0.004 0.000 0.239 113 R C 2.377 178.791 176.300 0.190 0.000 1.135 113 R CA 1.332 57.533 56.100 0.168 0.000 0.967 113 R CB -0.472 29.929 30.300 0.169 0.000 0.861 113 R HN 0.378 nan 8.270 nan 0.000 0.442 114 A N 1.644 124.578 122.820 0.190 0.000 1.877 114 A HA -0.152 4.170 4.320 0.004 0.000 0.216 114 A C 2.153 179.868 177.584 0.218 0.000 1.186 114 A CA 1.633 53.784 52.037 0.189 0.000 0.620 114 A CB -0.583 18.491 19.000 0.123 0.000 0.822 114 A HN 0.446 nan 8.150 nan 0.000 0.443 115 I N -1.307 119.377 120.570 0.189 0.000 3.251 115 I HA -0.037 4.135 4.170 0.004 0.000 0.277 115 I C 2.142 178.396 176.117 0.229 0.000 1.268 115 I CA 1.228 62.640 61.300 0.188 0.000 1.449 115 I CB -0.419 37.692 38.000 0.186 0.000 1.083 115 I HN 0.290 nan 8.210 nan 0.000 0.464 116 S N 1.216 116.948 115.700 0.053 0.000 2.419 116 S HA -0.245 4.227 4.470 0.004 0.000 0.235 116 S C 1.723 176.162 174.600 -0.269 0.000 1.019 116 S CA 1.506 59.465 58.200 -0.402 0.000 0.982 116 S CB -0.907 61.689 63.200 -1.006 0.000 0.789 116 S HN 0.642 nan 8.310 nan 0.000 0.490 117 H N 1.286 120.331 119.070 -0.043 0.000 2.436 117 H HA 0.224 4.782 4.556 0.004 0.000 0.294 117 H C 2.223 177.565 175.328 0.024 0.000 1.048 117 H CA 1.291 57.328 56.048 -0.018 0.000 1.353 117 H CB -0.121 29.633 29.762 -0.012 0.000 1.414 117 H HN 0.377 nan 8.280 nan 0.000 0.536 118 E N 0.591 120.885 120.200 0.157 0.000 2.268 118 E HA -0.084 4.268 4.350 0.004 0.000 0.195 118 E C 0.252 176.860 176.600 0.013 0.000 0.995 118 E CA 0.390 56.827 56.400 0.060 0.000 0.836 118 E CB -0.138 29.571 29.700 0.015 0.000 0.763 118 E HN 0.651 nan 8.360 nan 0.000 0.491 119 H N 1.122 120.186 119.070 -0.010 0.000 2.852 119 H HA 0.037 4.596 4.556 0.004 0.000 0.362 119 H C 0.902 176.226 175.328 -0.008 0.000 1.122 119 H CA 0.407 56.454 56.048 -0.001 0.000 1.419 119 H CB 0.632 30.375 29.762 -0.033 0.000 1.401 119 H HN 0.035 nan 8.280 nan 0.000 0.609 120 S N 2.277 118.052 115.700 0.125 0.000 2.603 120 S HA 0.055 4.527 4.470 0.004 0.000 0.268 120 S C -1.797 172.843 174.600 0.067 0.000 1.317 120 S CA -1.329 56.913 58.200 0.070 0.000 1.012 120 S CB 1.336 64.564 63.200 0.047 0.000 0.926 120 S HN 0.367 nan 8.310 nan 0.000 0.539 121 P HA -0.084 nan 4.420 nan 0.000 0.220 121 P C 1.474 178.782 177.300 0.014 0.000 1.144 121 P CA 1.182 64.288 63.100 0.009 0.000 0.800 121 P CB 0.019 31.719 31.700 0.000 0.000 0.772 122 S N -1.252 114.466 115.700 0.030 0.000 2.404 122 S HA -0.080 4.393 4.470 0.004 0.000 0.223 122 S C 1.708 176.348 174.600 0.066 0.000 1.040 122 S CA 0.811 59.029 58.200 0.030 0.000 0.957 122 S CB -0.940 62.273 63.200 0.022 0.000 0.826 122 S HN -0.032 nan 8.310 nan 0.000 0.491 123 D N 1.612 122.087 120.400 0.124 0.000 2.228 123 D HA -0.070 4.573 4.640 0.004 0.000 0.203 123 D C 1.884 178.340 176.300 0.260 0.000 0.988 123 D CA 0.637 54.794 54.000 0.261 0.000 0.864 123 D CB -0.307 40.680 40.800 0.313 0.000 0.928 123 D HN 0.366 nan 8.370 nan 0.000 0.469 124 L N 0.640 121.926 121.223 0.105 0.000 1.994 124 L HA -0.183 4.160 4.340 0.004 0.000 0.208 124 L C 2.311 179.212 176.870 0.052 0.000 1.071 124 L CA 1.358 56.195 54.840 -0.004 0.000 0.745 124 L CB -0.235 41.774 42.059 -0.084 0.000 0.892 124 L HN 0.064 nan 8.230 nan 0.000 0.431 125 E N -0.393 119.820 120.200 0.022 0.000 2.106 125 E HA -0.180 4.173 4.350 0.004 0.000 0.192 125 E C 2.179 178.757 176.600 -0.038 0.000 0.984 125 E CA 1.015 57.412 56.400 -0.006 0.000 0.806 125 E CB -0.076 29.613 29.700 -0.018 0.000 0.750 125 E HN 0.497 nan 8.360 nan 0.000 0.458 126 A N 0.592 123.385 122.820 -0.045 0.000 1.898 126 A HA -0.171 4.152 4.320 0.004 0.000 0.216 126 A C 1.333 178.677 177.584 -0.399 0.000 1.181 126 A CA 1.726 53.628 52.037 -0.227 0.000 0.620 126 A CB -0.284 18.585 19.000 -0.219 0.000 0.819 126 A HN 0.244 nan 8.150 nan 0.000 0.442 127 H N -4.745 114.354 119.070 0.048 0.000 2.573 127 H HA 0.268 4.827 4.556 0.004 0.000 0.236 127 H C 1.449 176.801 175.328 0.040 0.000 0.907 127 H CA 0.322 56.411 56.048 0.069 0.000 1.058 127 H CB -0.033 29.832 29.762 0.173 0.000 1.417 127 H HN 0.361 nan 8.280 nan 0.000 0.425 128 F N 1.117 121.064 119.950 -0.004 0.000 2.128 128 F HA -0.114 4.415 4.527 0.004 0.000 0.295 128 F C 2.028 177.736 175.800 -0.153 0.000 1.100 128 F CA 0.953 58.861 58.000 -0.154 0.000 1.260 128 F CB -0.264 38.495 39.000 -0.401 0.000 1.009 128 F HN -0.098 nan 8.300 nan 0.000 0.476 129 V N 1.425 121.357 119.914 0.030 0.000 2.287 129 V HA -0.236 3.887 4.120 0.004 0.000 0.248 129 V C -0.547 175.431 176.094 -0.194 0.000 1.053 129 V CA 2.324 64.577 62.300 -0.079 0.000 1.027 129 V CB -1.648 30.159 31.823 -0.027 0.000 0.646 129 V HN 0.215 nan 8.190 nan 0.000 0.447 130 P HA -0.158 nan 4.420 nan 0.000 0.218 130 P C 1.806 178.981 177.300 -0.208 0.000 1.148 130 P CA 1.173 64.178 63.100 -0.159 0.000 0.822 130 P CB -0.084 31.550 31.700 -0.111 0.000 0.784 131 L N -0.438 120.631 121.223 -0.257 0.000 2.005 131 L HA -0.120 4.222 4.340 0.004 0.000 0.207 131 L C 2.091 178.726 176.870 -0.392 0.000 1.072 131 L CA 1.923 56.571 54.840 -0.320 0.000 0.744 131 L CB -1.435 40.379 42.059 -0.408 0.000 0.895 131 L HN -0.192 nan 8.230 nan 0.000 0.433 132 V N 0.511 120.111 119.914 -0.523 0.000 2.231 132 V HA -0.407 3.716 4.120 0.004 0.000 0.250 132 V C 2.708 178.534 176.094 -0.446 0.000 1.058 132 V CA 2.550 64.529 62.300 -0.535 0.000 1.022 132 V CB -0.938 30.513 31.823 -0.621 0.000 0.640 132 V HN 0.511 nan 8.190 nan 0.000 0.445 133 K N -0.642 119.474 120.400 -0.473 0.000 2.059 133 K HA -0.268 4.054 4.320 0.004 0.000 0.212 133 K C 2.431 178.886 176.600 -0.241 0.000 1.050 133 K CA 1.969 57.946 56.287 -0.517 0.000 0.927 133 K CB -0.318 31.898 32.500 -0.472 0.000 0.714 133 K HN 0.355 nan 8.250 nan 0.000 0.447 134 R N 0.736 121.116 120.500 -0.201 0.000 2.082 134 R HA -0.110 4.232 4.340 0.004 0.000 0.234 134 R C 2.450 178.676 176.300 -0.123 0.000 1.136 134 R CA 1.491 57.510 56.100 -0.136 0.000 0.935 134 R CB -0.420 29.795 30.300 -0.141 0.000 0.842 134 R HN 0.164 nan 8.270 nan 0.000 0.430 135 L N -0.065 121.064 121.223 -0.155 0.000 2.042 135 L HA -0.198 4.144 4.340 0.004 0.000 0.210 135 L C 2.683 179.516 176.870 -0.062 0.000 1.076 135 L CA 1.320 56.087 54.840 -0.122 0.000 0.749 135 L CB -0.594 41.376 42.059 -0.150 0.000 0.893 135 L HN 0.313 nan 8.230 nan 0.000 0.432 136 A N 0.263 123.052 122.820 -0.051 0.000 1.908 136 A HA -0.159 4.164 4.320 0.004 0.000 0.218 136 A C 2.339 180.002 177.584 0.133 0.000 1.181 136 A CA 1.907 53.996 52.037 0.088 0.000 0.627 136 A CB -1.190 17.928 19.000 0.196 0.000 0.818 136 A HN 0.460 nan 8.150 nan 0.000 0.445 137 G N -0.609 108.262 108.800 0.118 0.000 2.572 137 G HA2 0.333 4.295 3.960 0.004 0.000 0.216 137 G HA3 0.333 4.295 3.960 0.004 0.000 0.216 137 G C 0.907 175.812 174.900 0.008 0.000 1.133 137 G CA 0.604 45.763 45.100 0.098 0.000 0.791 137 G HN 0.810 nan 8.290 nan 0.000 0.538 138 G N 0.078 108.855 108.800 -0.039 0.000 2.720 138 G HA2 0.185 4.147 3.960 0.004 0.000 0.237 138 G HA3 0.185 4.147 3.960 0.004 0.000 0.237 138 G C 0.397 175.236 174.900 -0.102 0.000 1.239 138 G CA -0.028 44.997 45.100 -0.124 0.000 0.847 138 G HN 0.062 nan 8.290 nan 0.000 0.593 139 D N -0.109 120.155 120.400 -0.228 0.000 2.123 139 D HA -0.030 4.612 4.640 0.004 0.000 0.200 139 D C 0.923 177.346 176.300 0.205 0.000 0.976 139 D CA 0.530 54.476 54.000 -0.091 0.000 0.831 139 D CB -0.064 40.595 40.800 -0.235 0.000 0.974 139 D HN 0.572 nan 8.370 nan 0.000 0.469 140 W N 1.389 122.673 121.300 -0.026 0.000 2.210 140 W HA 0.060 4.722 4.660 0.004 0.000 0.330 140 W C 1.416 177.906 176.519 -0.048 0.000 1.334 140 W CA -1.306 55.996 57.345 -0.072 0.000 1.227 140 W CB 0.237 29.595 29.460 -0.169 0.000 1.178 140 W HN -0.047 nan 8.180 nan 0.000 0.560 141 F N 0.360 120.442 119.950 0.221 0.000 2.134 141 F HA -0.232 4.298 4.527 0.004 0.000 0.299 141 F C 2.270 178.128 175.800 0.097 0.000 1.097 141 F CA 1.612 59.679 58.000 0.110 0.000 1.264 141 F CB -1.581 37.455 39.000 0.059 0.000 1.001 141 F HN 0.324 nan 8.300 nan 0.000 0.479 142 T N -1.801 112.261 114.554 -0.819 0.000 2.721 142 T HA -0.259 4.093 4.350 0.004 0.000 0.268 142 T C 1.960 176.594 174.700 -0.110 0.000 1.038 142 T CA 1.819 63.626 62.100 -0.489 0.000 1.145 142 T CB -1.232 67.307 68.868 -0.548 0.000 0.858 142 T HN 0.422 nan 8.240 nan 0.000 0.459 143 S N 1.476 117.172 115.700 -0.007 0.000 2.356 143 S HA -0.024 4.448 4.470 0.004 0.000 0.223 143 S C 2.304 176.906 174.600 0.004 0.000 1.032 143 S CA 1.170 59.375 58.200 0.008 0.000 1.005 143 S CB -0.297 62.898 63.200 -0.008 0.000 0.867 143 S HN 0.583 nan 8.310 nan 0.000 0.449 144 R N 0.748 121.275 120.500 0.045 0.000 2.066 144 R HA -0.079 4.264 4.340 0.004 0.000 0.232 144 R C 2.874 179.203 176.300 0.048 0.000 1.131 144 R CA 1.746 57.879 56.100 0.054 0.000 0.955 144 R CB -1.122 29.228 30.300 0.083 0.000 0.851 144 R HN 0.603 nan 8.270 nan 0.000 0.432 145 T N -1.070 113.531 114.554 0.078 0.000 2.737 145 T HA -0.147 4.205 4.350 0.004 0.000 0.269 145 T C 1.946 176.671 174.700 0.042 0.000 1.040 145 T CA 2.018 64.161 62.100 0.072 0.000 1.142 145 T CB -0.246 68.698 68.868 0.127 0.000 0.861 145 T HN 0.074 nan 8.240 nan 0.000 0.456 146 S N 0.671 116.384 115.700 0.022 0.000 2.489 146 S HA 0.414 4.886 4.470 0.004 0.000 0.228 146 S C 2.412 177.004 174.600 -0.014 0.000 0.995 146 S CA 0.509 58.714 58.200 0.008 0.000 0.934 146 S CB -0.428 62.767 63.200 -0.009 0.000 0.771 146 S HN 0.791 nan 8.310 nan 0.000 0.522 147 A N 0.491 123.298 122.820 -0.022 0.000 1.930 147 A HA -0.068 4.254 4.320 0.004 0.000 0.215 147 A C 2.292 179.885 177.584 0.015 0.000 1.176 147 A CA 1.002 52.993 52.037 -0.075 0.000 0.632 147 A CB -1.196 17.773 19.000 -0.051 0.000 0.819 147 A HN 0.588 nan 8.150 nan 0.000 0.445 148 C N -0.690 118.673 119.300 0.105 0.000 2.375 148 C HA -0.146 4.316 4.460 0.004 0.000 0.274 148 C C 2.685 177.831 174.990 0.260 0.000 1.190 148 C CA 0.993 60.100 59.018 0.148 0.000 1.775 148 C CB -1.613 26.109 27.740 -0.031 0.000 2.067 148 C HN 0.695 nan 8.230 nan 0.000 0.463 149 G N -0.762 108.124 108.800 0.144 0.000 2.956 149 G HA2 0.194 4.156 3.960 0.004 0.000 0.207 149 G HA3 0.194 4.156 3.960 0.004 0.000 0.207 149 G C 1.028 176.012 174.900 0.140 0.000 1.162 149 G CA 0.141 45.332 45.100 0.151 0.000 0.796 149 G HN 0.606 nan 8.290 nan 0.000 0.527 150 L N -1.443 119.824 121.223 0.074 0.000 2.858 150 L HA 0.395 4.738 4.340 0.004 0.000 0.251 150 L C 1.642 178.520 176.870 0.014 0.000 1.149 150 L CA -0.325 54.536 54.840 0.034 0.000 0.955 150 L CB 0.124 42.123 42.059 -0.101 0.000 1.289 150 L HN 0.061 nan 8.230 nan 0.000 0.542 151 F N 0.829 120.867 119.950 0.147 0.000 2.094 151 F HA -0.173 4.356 4.527 0.004 0.000 0.291 151 F C 2.890 178.892 175.800 0.336 0.000 1.109 151 F CA 1.711 59.814 58.000 0.171 0.000 1.221 151 F CB -0.364 38.574 39.000 -0.103 0.000 1.014 151 F HN 0.108 nan 8.300 nan 0.000 0.473 152 S N 0.366 116.395 115.700 0.548 0.000 2.440 152 S HA -0.149 4.324 4.470 0.004 0.000 0.238 152 S C 1.899 176.672 174.600 0.289 0.000 1.010 152 S CA 1.275 59.752 58.200 0.462 0.000 0.972 152 S CB -1.434 61.980 63.200 0.356 0.000 0.774 152 S HN 0.232 nan 8.310 nan 0.000 0.501 153 V N 1.546 121.591 119.914 0.219 0.000 2.255 153 V HA -0.111 4.012 4.120 0.004 0.000 0.243 153 V C 2.896 178.994 176.094 0.007 0.000 1.038 153 V CA 1.229 63.573 62.300 0.073 0.000 1.008 153 V CB -2.096 29.712 31.823 -0.025 0.000 0.645 153 V HN 0.839 nan 8.190 nan 0.000 0.449 154 C N -1.862 117.463 119.300 0.041 0.000 2.696 154 C HA 0.230 4.692 4.460 0.004 0.000 0.264 154 C C 2.521 177.579 174.990 0.113 0.000 1.288 154 C CA -0.092 58.915 59.018 -0.018 0.000 1.717 154 C CB -1.923 25.800 27.740 -0.028 0.000 1.893 154 C HN 0.586 nan 8.230 nan 0.000 0.577 155 Y N 3.853 124.234 120.300 0.135 0.000 2.097 155 Y HA -0.021 4.532 4.550 0.004 0.000 0.282 155 Y C -0.512 175.433 175.900 0.074 0.000 1.152 155 Y CA 2.246 60.448 58.100 0.170 0.000 1.136 155 Y CB -1.284 37.360 38.460 0.305 0.000 0.975 155 Y HN 0.234 nan 8.280 nan 0.000 0.498 156 P HA -0.081 nan 4.420 nan 0.000 0.221 156 P C 0.936 178.215 177.300 -0.036 0.000 1.150 156 P CA 1.753 64.882 63.100 0.048 0.000 0.800 156 P CB -0.003 31.754 31.700 0.095 0.000 0.787 157 R N -0.513 119.965 120.500 -0.037 0.000 2.276 157 R HA 0.081 4.423 4.340 0.004 0.000 0.196 157 R C 0.860 177.119 176.300 -0.067 0.000 0.961 157 R CA 0.080 56.149 56.100 -0.051 0.000 1.024 157 R CB -0.306 29.954 30.300 -0.066 0.000 0.940 157 R HN 0.179 nan 8.270 nan 0.000 0.480 158 V N -1.003 118.854 119.914 -0.095 0.000 3.214 158 V HA 0.308 4.430 4.120 0.004 0.000 0.306 158 V C 0.576 176.600 176.094 -0.116 0.000 1.078 158 V CA -1.137 61.105 62.300 -0.097 0.000 1.077 158 V CB 1.557 33.322 31.823 -0.097 0.000 1.121 158 V HN 0.171 nan 8.190 nan 0.000 0.468 159 S N 0.870 116.519 115.700 -0.085 0.000 2.600 159 S HA 0.152 4.624 4.470 0.004 0.000 0.265 159 S C 1.298 175.840 174.600 -0.097 0.000 1.325 159 S CA 0.468 58.623 58.200 -0.074 0.000 1.002 159 S CB 0.894 64.068 63.200 -0.043 0.000 0.921 159 S HN 1.017 nan 8.310 nan 0.000 0.554 160 S N 1.308 116.964 115.700 -0.073 0.000 2.374 160 S HA -0.143 4.329 4.470 0.004 0.000 0.227 160 S C 2.185 176.761 174.600 -0.039 0.000 1.037 160 S CA 1.465 59.627 58.200 -0.062 0.000 1.024 160 S CB -1.195 61.986 63.200 -0.032 0.000 0.861 160 S HN 0.943 nan 8.310 nan 0.000 0.456 161 A N 0.318 123.125 122.820 -0.022 0.000 1.933 161 A HA -0.040 4.282 4.320 0.004 0.000 0.218 161 A C 2.229 179.821 177.584 0.013 0.000 1.175 161 A CA 1.709 53.747 52.037 0.001 0.000 0.628 161 A CB -0.630 18.371 19.000 0.002 0.000 0.814 161 A HN 0.433 nan 8.150 nan 0.000 0.444 162 V N 0.048 119.957 119.914 -0.008 0.000 2.535 162 V HA -0.182 3.941 4.120 0.004 0.000 0.246 162 V C 2.234 178.346 176.094 0.030 0.000 1.045 162 V CA 1.758 64.066 62.300 0.013 0.000 1.058 162 V CB -0.647 31.170 31.823 -0.009 0.000 0.689 162 V HN 0.494 nan 8.190 nan 0.000 0.461 163 K N 0.967 121.315 120.400 -0.086 0.000 2.144 163 K HA -0.278 4.044 4.320 0.004 0.000 0.209 163 K C 2.276 179.000 176.600 0.207 0.000 1.047 163 K CA 1.779 57.977 56.287 -0.149 0.000 0.927 163 K CB -0.520 31.750 32.500 -0.384 0.000 0.716 163 K HN 0.503 nan 8.250 nan 0.000 0.454 164 A N 1.757 124.660 122.820 0.138 0.000 1.902 164 A HA -0.222 4.101 4.320 0.004 0.000 0.217 164 A C 1.959 179.666 177.584 0.206 0.000 1.181 164 A CA 1.694 53.828 52.037 0.162 0.000 0.623 164 A CB -0.361 18.699 19.000 0.100 0.000 0.818 164 A HN 0.410 nan 8.150 nan 0.000 0.443 165 E N 0.133 120.465 120.200 0.220 0.000 2.072 165 E HA -0.070 4.282 4.350 0.004 0.000 0.190 165 E C 1.923 178.788 176.600 0.442 0.000 0.982 165 E CA 0.991 57.569 56.400 0.295 0.000 0.803 165 E CB -0.341 29.525 29.700 0.278 0.000 0.755 165 E HN 0.573 nan 8.360 nan 0.000 0.453 166 L N 0.875 122.369 121.223 0.451 0.000 2.042 166 L HA -0.194 4.148 4.340 0.004 0.000 0.210 166 L C 2.628 179.792 176.870 0.490 0.000 1.076 166 L CA 1.356 56.565 54.840 0.614 0.000 0.749 166 L CB -0.419 42.087 42.059 0.745 0.000 0.893 166 L HN 0.109 nan 8.230 nan 0.000 0.432 167 R N -0.458 120.308 120.500 0.444 0.000 2.105 167 R HA -0.237 4.105 4.340 0.004 0.000 0.239 167 R C 2.277 178.698 176.300 0.203 0.000 1.135 167 R CA 1.528 57.813 56.100 0.308 0.000 0.967 167 R CB -0.290 30.168 30.300 0.265 0.000 0.861 167 R HN 0.288 nan 8.270 nan 0.000 0.442 168 Q N 0.041 119.964 119.800 0.204 0.000 2.079 168 Q HA -0.150 4.193 4.340 0.004 0.000 0.200 168 Q C 1.518 177.548 176.000 0.050 0.000 0.974 168 Q CA 1.662 57.526 55.803 0.101 0.000 0.840 168 Q CB -0.274 28.499 28.738 0.059 0.000 0.898 168 Q HN 0.369 nan 8.270 nan 0.000 0.430 169 Y N -0.889 119.473 120.300 0.103 0.000 2.114 169 Y HA -0.205 4.347 4.550 0.004 0.000 0.284 169 Y C 1.962 177.811 175.900 -0.085 0.000 1.143 169 Y CA 1.720 59.880 58.100 0.101 0.000 1.135 169 Y CB -0.521 38.132 38.460 0.322 0.000 0.980 169 Y HN 0.198 nan 8.280 nan 0.000 0.499 170 F N 0.566 120.280 119.950 -0.393 0.000 2.065 170 F HA -0.328 4.201 4.527 0.004 0.000 0.298 170 F C 2.749 178.382 175.800 -0.278 0.000 1.112 170 F CA 1.973 59.549 58.000 -0.707 0.000 1.212 170 F CB -0.326 38.034 39.000 -1.066 0.000 0.975 170 F HN -0.126 nan 8.300 nan 0.000 0.476 171 R N 0.322 120.883 120.500 0.102 0.000 2.117 171 R HA -0.212 4.130 4.340 0.004 0.000 0.243 171 R C 1.912 178.210 176.300 -0.003 0.000 1.143 171 R CA 1.808 57.956 56.100 0.080 0.000 0.968 171 R CB -0.411 29.929 30.300 0.066 0.000 0.863 171 R HN 0.365 nan 8.270 nan 0.000 0.444 172 N N 0.472 119.145 118.700 -0.045 0.000 2.270 172 N HA -0.105 4.638 4.740 0.004 0.000 0.181 172 N C 1.864 177.331 175.510 -0.072 0.000 1.016 172 N CA 0.824 53.835 53.050 -0.065 0.000 0.870 172 N CB -0.096 38.328 38.487 -0.104 0.000 0.979 172 N HN 0.246 nan 8.380 nan 0.000 0.431 173 L N 0.390 121.538 121.223 -0.125 0.000 2.131 173 L HA -0.141 4.201 4.340 0.004 0.000 0.210 173 L C 2.192 178.965 176.870 -0.161 0.000 1.092 173 L CA 0.756 55.492 54.840 -0.174 0.000 0.759 173 L CB -0.300 41.552 42.059 -0.344 0.000 0.903 173 L HN 0.193 nan 8.230 nan 0.000 0.435 174 C N -0.863 118.355 119.300 -0.137 0.000 2.448 174 C HA -0.053 4.409 4.460 0.004 0.000 0.280 174 C C 2.253 177.226 174.990 -0.029 0.000 1.398 174 C CA 0.899 59.884 59.018 -0.055 0.000 1.774 174 C CB -0.846 26.915 27.740 0.034 0.000 1.888 174 C HN 0.573 nan 8.230 nan 0.000 0.519 175 S N -0.558 115.124 115.700 -0.031 0.000 2.588 175 S HA 0.095 4.568 4.470 0.004 0.000 0.245 175 S C -0.206 174.378 174.600 -0.026 0.000 1.021 175 S CA -0.291 57.895 58.200 -0.023 0.000 1.006 175 S CB -0.282 62.907 63.200 -0.018 0.000 0.830 175 S HN 0.627 nan 8.310 nan 0.000 0.468 176 D N 1.905 122.286 120.400 -0.031 0.000 2.400 176 D HA 0.005 4.647 4.640 0.004 0.000 0.238 176 D C 0.091 176.380 176.300 -0.018 0.000 1.157 176 D CA 0.285 54.273 54.000 -0.021 0.000 0.889 176 D CB 0.804 41.593 40.800 -0.018 0.000 1.199 176 D HN 0.025 nan 8.370 nan 0.000 0.436 177 D N 0.381 120.775 120.400 -0.009 0.000 2.309 177 D HA -0.046 4.597 4.640 0.004 0.000 0.212 177 D C 0.054 176.339 176.300 -0.025 0.000 0.968 177 D CA 1.055 55.048 54.000 -0.012 0.000 0.882 177 D CB 0.227 41.027 40.800 0.000 0.000 0.918 177 D HN 0.104 nan 8.370 nan 0.000 0.503 178 T N -0.124 114.412 114.554 -0.029 0.000 2.812 178 T HA 0.227 4.579 4.350 0.004 0.000 0.282 178 T C -1.961 172.694 174.700 -0.074 0.000 0.990 178 T CA -1.878 60.184 62.100 -0.064 0.000 0.960 178 T CB 2.144 70.971 68.868 -0.068 0.000 0.948 178 T HN -0.253 nan 8.240 nan 0.000 0.438 179 P HA -0.093 nan 4.420 nan 0.000 0.215 179 P C 1.490 178.743 177.300 -0.078 0.000 1.153 179 P CA 1.175 64.228 63.100 -0.079 0.000 0.853 179 P CB 0.040 31.687 31.700 -0.088 0.000 0.788 180 M N -1.331 118.192 119.600 -0.129 0.000 2.106 180 M HA -0.150 4.332 4.480 0.004 0.000 0.259 180 M C 1.976 178.278 176.300 0.003 0.000 1.068 180 M CA 1.732 56.975 55.300 -0.094 0.000 1.100 180 M CB -1.605 30.839 32.600 -0.260 0.000 1.351 180 M HN -0.221 nan 8.290 nan 0.000 0.404 181 V N -0.455 119.464 119.914 0.008 0.000 2.488 181 V HA -0.161 3.962 4.120 0.004 0.000 0.246 181 V C 2.367 178.447 176.094 -0.023 0.000 1.046 181 V CA 1.501 63.815 62.300 0.025 0.000 1.053 181 V CB -0.619 31.229 31.823 0.041 0.000 0.679 181 V HN 0.396 nan 8.190 nan 0.000 0.458 182 R N 0.316 120.798 120.500 -0.030 0.000 2.091 182 R HA -0.144 4.198 4.340 0.004 0.000 0.238 182 R C 2.489 178.780 176.300 -0.014 0.000 1.136 182 R CA 1.531 57.612 56.100 -0.031 0.000 0.959 182 R CB -0.387 29.897 30.300 -0.027 0.000 0.856 182 R HN 0.521 nan 8.270 nan 0.000 0.437 183 R N 0.334 120.829 120.500 -0.008 0.000 2.120 183 R HA -0.046 4.296 4.340 0.004 0.000 0.234 183 R C 2.285 178.598 176.300 0.021 0.000 1.123 183 R CA 1.259 57.364 56.100 0.008 0.000 0.975 183 R CB -0.343 29.958 30.300 0.002 0.000 0.866 183 R HN 0.197 nan 8.270 nan 0.000 0.446 184 A N 1.604 124.431 122.820 0.011 0.000 1.897 184 A HA -0.005 4.317 4.320 0.004 0.000 0.215 184 A C 2.426 180.006 177.584 -0.007 0.000 1.181 184 A CA 1.380 53.427 52.037 0.017 0.000 0.620 184 A CB -0.498 18.512 19.000 0.017 0.000 0.821 184 A HN 0.359 nan 8.150 nan 0.000 0.443 185 A N 0.035 122.807 122.820 -0.080 0.000 1.902 185 A HA 0.154 4.477 4.320 0.004 0.000 0.217 185 A C 2.508 180.163 177.584 0.117 0.000 1.181 185 A CA 2.102 54.040 52.037 -0.164 0.000 0.623 185 A CB -1.038 17.806 19.000 -0.260 0.000 0.818 185 A HN 1.017 nan 8.150 nan 0.000 0.443 186 A N 0.371 123.249 122.820 0.097 0.000 1.877 186 A HA -0.124 4.198 4.320 0.004 0.000 0.216 186 A C 2.503 180.170 177.584 0.139 0.000 1.186 186 A CA 2.487 54.605 52.037 0.135 0.000 0.620 186 A CB -1.068 17.987 19.000 0.091 0.000 0.822 186 A HN 1.100 nan 8.150 nan 0.000 0.443 187 S N -1.314 114.450 115.700 0.108 0.000 2.474 187 S HA -0.020 4.452 4.470 0.004 0.000 0.235 187 S C 1.408 176.088 174.600 0.133 0.000 0.997 187 S CA 1.198 59.459 58.200 0.101 0.000 0.949 187 S CB -0.021 63.226 63.200 0.078 0.000 0.766 187 S HN 0.421 nan 8.310 nan 0.000 0.517 188 K N 0.339 120.856 120.400 0.195 0.000 2.374 188 K HA 0.391 4.713 4.320 0.004 0.000 0.202 188 K C 1.501 178.295 176.600 0.323 0.000 1.040 188 K CA -0.061 56.385 56.287 0.264 0.000 1.085 188 K CB -0.296 32.388 32.500 0.306 0.000 0.873 188 K HN 0.360 nan 8.250 nan 0.000 0.539 189 L N 1.020 122.430 121.223 0.312 0.000 1.971 189 L HA -0.174 4.169 4.340 0.004 0.000 0.215 189 L C 2.100 179.009 176.870 0.065 0.000 1.072 189 L CA 2.340 57.303 54.840 0.205 0.000 0.758 189 L CB -0.844 41.344 42.059 0.215 0.000 0.889 189 L HN 0.267 nan 8.230 nan 0.000 0.433 190 G N -1.022 107.805 108.800 0.046 0.000 2.491 190 G HA2 -0.384 3.579 3.960 0.004 0.000 0.218 190 G HA3 -0.384 3.579 3.960 0.004 0.000 0.218 190 G C 1.427 176.322 174.900 -0.008 0.000 1.180 190 G CA 0.920 46.009 45.100 -0.019 0.000 0.774 190 G HN 0.630 nan 8.290 nan 0.000 0.562 191 E N -0.607 119.624 120.200 0.052 0.000 2.153 191 E HA -0.168 4.185 4.350 0.004 0.000 0.194 191 E C 2.110 178.756 176.600 0.076 0.000 0.988 191 E CA 0.840 57.280 56.400 0.067 0.000 0.811 191 E CB -0.307 29.457 29.700 0.108 0.000 0.746 191 E HN 0.392 nan 8.360 nan 0.000 0.466 192 F N 1.714 121.594 119.950 -0.116 0.000 2.128 192 F HA 0.078 4.608 4.527 0.004 0.000 0.295 192 F C 2.342 177.965 175.800 -0.295 0.000 1.100 192 F CA 1.408 59.260 58.000 -0.246 0.000 1.260 192 F CB -0.818 37.864 39.000 -0.529 0.000 1.009 192 F HN 0.084 nan 8.300 nan 0.000 0.476 193 A N 0.366 122.990 122.820 -0.326 0.000 2.093 193 A HA -0.250 4.072 4.320 0.004 0.000 0.222 193 A C 2.253 179.645 177.584 -0.321 0.000 1.162 193 A CA 1.784 53.592 52.037 -0.382 0.000 0.655 193 A CB -0.790 18.070 19.000 -0.232 0.000 0.805 193 A HN 0.446 nan 8.150 nan 0.000 0.461 194 K N -0.511 119.754 120.400 -0.226 0.000 2.288 194 K HA -0.050 4.272 4.320 0.004 0.000 0.201 194 K C 1.692 178.205 176.600 -0.146 0.000 1.048 194 K CA 1.495 57.695 56.287 -0.145 0.000 0.956 194 K CB -0.131 32.326 32.500 -0.072 0.000 0.746 194 K HN 0.613 nan 8.250 nan 0.000 0.461 195 V N -1.490 118.292 119.914 -0.220 0.000 3.590 195 V HA 0.181 4.303 4.120 0.004 0.000 0.265 195 V C 0.832 176.827 176.094 -0.165 0.000 1.239 195 V CA -0.065 62.154 62.300 -0.135 0.000 1.117 195 V CB -0.341 31.460 31.823 -0.036 0.000 0.818 195 V HN -0.027 nan 8.190 nan 0.000 0.451 196 L N 2.823 123.814 121.223 -0.387 0.000 2.397 196 L HA 0.358 4.700 4.340 0.004 0.000 0.271 196 L C 0.789 177.580 176.870 -0.132 0.000 1.148 196 L CA -0.354 54.292 54.840 -0.323 0.000 0.825 196 L CB 0.673 42.411 42.059 -0.535 0.000 1.117 196 L HN 0.419 nan 8.230 nan 0.000 0.456 197 E N 3.300 123.478 120.200 -0.037 0.000 2.418 197 E HA -0.011 4.341 4.350 0.004 0.000 0.261 197 E C 0.823 177.392 176.600 -0.052 0.000 1.070 197 E CA -0.330 56.054 56.400 -0.027 0.000 0.931 197 E CB 1.240 30.945 29.700 0.008 0.000 0.954 197 E HN 0.579 nan 8.360 nan 0.000 0.439 198 L N 0.933 122.130 121.223 -0.043 0.000 1.971 198 L HA -0.263 4.079 4.340 0.004 0.000 0.215 198 L C 1.741 178.587 176.870 -0.040 0.000 1.072 198 L CA 2.188 57.000 54.840 -0.046 0.000 0.758 198 L CB -0.566 41.472 42.059 -0.035 0.000 0.889 198 L HN 0.552 nan 8.230 nan 0.000 0.433 199 D N -0.093 120.293 120.400 -0.024 0.000 2.218 199 D HA -0.251 4.391 4.640 0.004 0.000 0.194 199 D C 1.771 178.059 176.300 -0.020 0.000 1.007 199 D CA 1.456 55.447 54.000 -0.015 0.000 0.879 199 D CB -0.479 40.319 40.800 -0.004 0.000 0.918 199 D HN 0.436 nan 8.370 nan 0.000 0.449 200 N N -0.076 118.605 118.700 -0.032 0.000 2.333 200 N HA -0.039 4.704 4.740 0.004 0.000 0.178 200 N C 2.006 177.466 175.510 -0.084 0.000 1.018 200 N CA 0.246 53.269 53.050 -0.046 0.000 0.882 200 N CB 0.292 38.753 38.487 -0.044 0.000 0.984 200 N HN 0.108 nan 8.380 nan 0.000 0.434 201 V N 1.502 121.353 119.914 -0.105 0.000 2.427 201 V HA -0.168 3.955 4.120 0.004 0.000 0.248 201 V C 2.362 178.418 176.094 -0.063 0.000 1.051 201 V CA 1.450 63.680 62.300 -0.116 0.000 1.048 201 V CB -0.305 31.439 31.823 -0.131 0.000 0.666 201 V HN 0.171 nan 8.190 nan 0.000 0.456 202 K N 0.668 121.042 120.400 -0.043 0.000 2.025 202 K HA -0.133 4.190 4.320 0.004 0.000 0.207 202 K C 2.365 178.965 176.600 -0.001 0.000 1.049 202 K CA 1.726 58.002 56.287 -0.018 0.000 0.933 202 K CB -0.192 32.298 32.500 -0.016 0.000 0.714 202 K HN 0.597 nan 8.250 nan 0.000 0.438 203 S N -0.618 115.079 115.700 -0.004 0.000 2.483 203 S HA 0.082 4.555 4.470 0.004 0.000 0.221 203 S C 1.405 176.013 174.600 0.013 0.000 1.030 203 S CA 0.040 58.245 58.200 0.008 0.000 0.925 203 S CB 0.157 63.362 63.200 0.008 0.000 0.795 203 S HN 0.203 nan 8.310 nan 0.000 0.511 204 E N 1.100 121.302 120.200 0.003 0.000 2.175 204 E HA 0.205 4.557 4.350 0.004 0.000 0.195 204 E C 1.946 178.557 176.600 0.018 0.000 0.934 204 E CA 0.170 56.578 56.400 0.013 0.000 0.870 204 E CB -0.127 29.578 29.700 0.009 0.000 0.838 204 E HN 0.370 nan 8.360 nan 0.000 0.474 205 I N 2.252 122.812 120.570 -0.016 0.000 2.202 205 I HA -0.200 3.972 4.170 0.004 0.000 0.242 205 I C 2.566 178.735 176.117 0.088 0.000 1.091 205 I CA 0.941 62.240 61.300 -0.002 0.000 1.368 205 I CB -0.832 37.118 38.000 -0.084 0.000 1.058 205 I HN 0.059 nan 8.210 nan 0.000 0.410 206 I N 1.357 121.980 120.570 0.089 0.000 2.151 206 I HA -0.207 3.966 4.170 0.004 0.000 0.243 206 I C -0.035 176.183 176.117 0.167 0.000 1.080 206 I CA 1.974 63.386 61.300 0.186 0.000 1.339 206 I CB -2.909 35.171 38.000 0.133 0.000 1.039 206 I HN 0.151 nan 8.210 nan 0.000 0.409 207 P HA -0.120 nan 4.420 nan 0.000 0.216 207 P C 2.210 179.545 177.300 0.058 0.000 1.153 207 P CA 1.433 64.564 63.100 0.052 0.000 0.848 207 P CB -0.074 31.648 31.700 0.037 0.000 0.787 208 M N -2.300 117.358 119.600 0.096 0.000 2.108 208 M HA -0.176 4.306 4.480 0.004 0.000 0.261 208 M C 2.052 178.445 176.300 0.154 0.000 1.066 208 M CA 1.789 57.161 55.300 0.120 0.000 1.107 208 M CB -0.857 31.836 32.600 0.155 0.000 1.356 208 M HN -0.079 nan 8.290 nan 0.000 0.406 209 F N 1.347 121.314 119.950 0.028 0.000 2.095 209 F HA -0.241 4.288 4.527 0.004 0.000 0.298 209 F C 2.555 178.364 175.800 0.015 0.000 1.104 209 F CA 1.954 59.967 58.000 0.022 0.000 1.232 209 F CB -0.813 38.191 39.000 0.007 0.000 0.987 209 F HN 0.183 nan 8.300 nan 0.000 0.475 210 S N 0.049 115.549 115.700 -0.333 0.000 2.371 210 S HA -0.180 4.292 4.470 0.004 0.000 0.224 210 S C 1.746 176.204 174.600 -0.236 0.000 1.029 210 S CA 1.193 59.127 58.200 -0.444 0.000 0.978 210 S CB -1.290 61.745 63.200 -0.275 0.000 0.833 210 S HN 0.585 nan 8.310 nan 0.000 0.466 211 N N 2.022 120.653 118.700 -0.114 0.000 2.094 211 N HA -0.011 4.731 4.740 0.004 0.000 0.191 211 N C 1.688 177.160 175.510 -0.062 0.000 1.023 211 N CA 1.498 54.508 53.050 -0.067 0.000 0.857 211 N CB -0.500 37.971 38.487 -0.026 0.000 1.013 211 N HN 0.290 nan 8.380 nan 0.000 0.426 212 L N 0.134 121.332 121.223 -0.042 0.000 2.201 212 L HA -0.063 4.280 4.340 0.004 0.000 0.212 212 L C 2.229 179.071 176.870 -0.048 0.000 1.105 212 L CA 0.573 55.404 54.840 -0.014 0.000 0.775 212 L CB -0.293 41.800 42.059 0.056 0.000 0.913 212 L HN 0.268 nan 8.230 nan 0.000 0.440 213 A N -0.835 121.904 122.820 -0.135 0.000 2.132 213 A HA -0.047 4.276 4.320 0.004 0.000 0.213 213 A C 2.087 179.598 177.584 -0.122 0.000 1.154 213 A CA 1.037 52.979 52.037 -0.159 0.000 0.753 213 A CB -0.169 18.614 19.000 -0.361 0.000 0.826 213 A HN 0.432 nan 8.150 nan 0.000 0.469 214 S N -0.421 115.210 115.700 -0.114 0.000 2.582 214 S HA 0.112 4.585 4.470 0.004 0.000 0.234 214 S C 0.174 174.740 174.600 -0.056 0.000 0.961 214 S CA -0.390 57.761 58.200 -0.080 0.000 0.953 214 S CB -0.290 62.861 63.200 -0.083 0.000 0.800 214 S HN 0.456 nan 8.310 nan 0.000 0.471 215 D N 2.356 122.726 120.400 -0.050 0.000 2.443 215 D HA -0.039 4.604 4.640 0.004 0.000 0.234 215 D C 0.766 177.045 176.300 -0.035 0.000 1.172 215 D CA 0.314 54.291 54.000 -0.038 0.000 0.878 215 D CB 0.791 41.572 40.800 -0.031 0.000 1.204 215 D HN 0.195 nan 8.370 nan 0.000 0.453 216 E N 1.441 121.622 120.200 -0.032 0.000 2.333 216 E HA -0.153 4.200 4.350 0.004 0.000 0.198 216 E C 0.404 176.986 176.600 -0.031 0.000 1.007 216 E CA 0.848 57.230 56.400 -0.029 0.000 0.845 216 E CB 0.072 29.756 29.700 -0.028 0.000 0.766 216 E HN 0.478 nan 8.360 nan 0.000 0.507 217 Q N 0.165 119.944 119.800 -0.035 0.000 2.337 217 Q HA 0.102 4.444 4.340 0.004 0.000 0.270 217 Q C -0.385 175.587 176.000 -0.046 0.000 1.043 217 Q CA -0.461 55.319 55.803 -0.040 0.000 0.794 217 Q CB 1.594 30.306 28.738 -0.042 0.000 1.281 217 Q HN -0.170 nan 8.270 nan 0.000 0.446 218 D N 0.436 120.803 120.400 -0.056 0.000 2.126 218 D HA -0.295 4.348 4.640 0.004 0.000 0.190 218 D C 1.592 177.845 176.300 -0.080 0.000 1.001 218 D CA 2.273 56.227 54.000 -0.077 0.000 0.841 218 D CB -0.189 40.546 40.800 -0.108 0.000 0.949 218 D HN 0.594 nan 8.370 nan 0.000 0.446 219 S N 0.055 115.710 115.700 -0.075 0.000 2.419 219 S HA -0.163 4.310 4.470 0.004 0.000 0.235 219 S C 2.061 176.637 174.600 -0.039 0.000 1.019 219 S CA 1.035 59.196 58.200 -0.065 0.000 0.982 219 S CB -0.709 62.456 63.200 -0.058 0.000 0.789 219 S HN 0.209 nan 8.310 nan 0.000 0.490 220 V N 2.376 122.271 119.914 -0.032 0.000 2.300 220 V HA -0.028 4.094 4.120 0.004 0.000 0.241 220 V C 2.818 178.911 176.094 -0.001 0.000 1.034 220 V CA 1.547 63.839 62.300 -0.013 0.000 1.021 220 V CB -0.709 31.105 31.823 -0.016 0.000 0.662 220 V HN 0.396 nan 8.190 nan 0.000 0.458 221 R N 0.399 120.890 120.500 -0.014 0.000 2.103 221 R HA -0.224 4.118 4.340 0.004 0.000 0.242 221 R C 2.293 178.599 176.300 0.010 0.000 1.142 221 R CA 1.873 57.968 56.100 -0.009 0.000 0.960 221 R CB -0.983 29.301 30.300 -0.028 0.000 0.858 221 R HN 0.497 nan 8.270 nan 0.000 0.439 222 L N 1.133 122.350 121.223 -0.010 0.000 2.021 222 L HA -0.196 4.147 4.340 0.004 0.000 0.215 222 L C 1.782 178.669 176.870 0.028 0.000 1.074 222 L CA 1.843 56.680 54.840 -0.005 0.000 0.760 222 L CB -0.709 41.321 42.059 -0.049 0.000 0.889 222 L HN 0.152 nan 8.230 nan 0.000 0.433 223 L N -0.544 120.699 121.223 0.033 0.000 2.478 223 L HA 0.050 4.392 4.340 0.004 0.000 0.223 223 L C 2.566 179.491 176.870 0.092 0.000 1.140 223 L CA 0.635 55.508 54.840 0.055 0.000 0.842 223 L CB -0.642 41.446 42.059 0.048 0.000 0.953 223 L HN 0.465 nan 8.230 nan 0.000 0.452 224 A N -0.626 122.265 122.820 0.119 0.000 1.935 224 A HA -0.052 4.270 4.320 0.004 0.000 0.214 224 A C 2.263 180.007 177.584 0.266 0.000 1.178 224 A CA 0.807 52.979 52.037 0.226 0.000 0.640 224 A CB -0.479 18.653 19.000 0.220 0.000 0.825 224 A HN 0.113 nan 8.150 nan 0.000 0.447 225 V N 0.613 120.632 119.914 0.176 0.000 2.332 225 V HA -0.285 3.837 4.120 0.004 0.000 0.248 225 V C 2.635 178.779 176.094 0.084 0.000 1.055 225 V CA 2.551 64.936 62.300 0.141 0.000 1.038 225 V CB -0.683 31.192 31.823 0.086 0.000 0.651 225 V HN 0.783 nan 8.190 nan 0.000 0.450 226 E N 1.178 121.419 120.200 0.068 0.000 2.051 226 E HA -0.196 4.156 4.350 0.004 0.000 0.192 226 E C 2.050 178.658 176.600 0.013 0.000 0.991 226 E CA 1.902 58.326 56.400 0.039 0.000 0.799 226 E CB -0.535 29.192 29.700 0.045 0.000 0.748 226 E HN 0.505 nan 8.360 nan 0.000 0.449 227 A N -0.014 122.820 122.820 0.024 0.000 2.067 227 A HA -0.121 4.201 4.320 0.004 0.000 0.219 227 A C 2.545 180.009 177.584 -0.199 0.000 1.158 227 A CA 1.139 53.150 52.037 -0.043 0.000 0.661 227 A CB -1.210 17.798 19.000 0.013 0.000 0.801 227 A HN 0.554 nan 8.150 nan 0.000 0.452 228 C N -0.817 118.370 119.300 -0.189 0.000 2.413 228 C HA -0.087 4.375 4.460 0.004 0.000 0.277 228 C C 2.635 177.486 174.990 -0.231 0.000 1.265 228 C CA 1.412 60.221 59.018 -0.347 0.000 1.752 228 C CB -1.396 26.339 27.740 -0.008 0.000 1.998 228 C HN 0.443 nan 8.230 nan 0.000 0.489 229 V N 1.476 121.316 119.914 -0.124 0.000 2.233 229 V HA -0.279 3.843 4.120 0.004 0.000 0.247 229 V C 2.159 178.188 176.094 -0.108 0.000 1.050 229 V CA 2.729 64.973 62.300 -0.094 0.000 1.010 229 V CB -1.200 30.591 31.823 -0.053 0.000 0.637 229 V HN 0.609 nan 8.190 nan 0.000 0.444 230 N N -0.199 118.438 118.700 -0.104 0.000 2.132 230 N HA -0.220 4.522 4.740 0.004 0.000 0.191 230 N C 1.717 177.147 175.510 -0.133 0.000 1.015 230 N CA 1.749 54.739 53.050 -0.099 0.000 0.864 230 N CB -0.247 38.188 38.487 -0.085 0.000 1.006 230 N HN 0.469 nan 8.380 nan 0.000 0.430 231 I N 0.663 121.111 120.570 -0.202 0.000 2.206 231 I HA -0.133 4.039 4.170 0.004 0.000 0.239 231 I C 2.506 178.521 176.117 -0.169 0.000 1.078 231 I CA 0.588 61.752 61.300 -0.227 0.000 1.367 231 I CB -0.434 37.334 38.000 -0.387 0.000 1.078 231 I HN 0.076 nan 8.210 nan 0.000 0.413 232 A N 0.355 123.074 122.820 -0.169 0.000 1.940 232 A HA -0.357 3.965 4.320 0.004 0.000 0.221 232 A C 2.253 179.789 177.584 -0.080 0.000 1.190 232 A CA 2.198 54.171 52.037 -0.107 0.000 0.647 232 A CB -0.959 17.986 19.000 -0.091 0.000 0.821 232 A HN 0.523 nan 8.150 nan 0.000 0.457 233 Q N -0.820 118.932 119.800 -0.080 0.000 2.082 233 Q HA -0.221 4.121 4.340 0.004 0.000 0.211 233 Q C 1.937 177.902 176.000 -0.058 0.000 1.002 233 Q CA 2.013 57.779 55.803 -0.061 0.000 0.868 233 Q CB -0.385 28.319 28.738 -0.058 0.000 0.931 233 Q HN 0.769 nan 8.270 nan 0.000 0.414 234 L N 0.010 121.189 121.223 -0.073 0.000 2.492 234 L HA 0.070 4.412 4.340 0.004 0.000 0.223 234 L C 0.634 177.468 176.870 -0.060 0.000 1.132 234 L CA -0.049 54.750 54.840 -0.068 0.000 0.850 234 L CB -0.075 41.934 42.059 -0.085 0.000 0.966 234 L HN 0.085 nan 8.230 nan 0.000 0.454 235 L N 0.412 121.598 121.223 -0.060 0.000 2.357 235 L HA 0.375 4.718 4.340 0.004 0.000 0.273 235 L C -1.996 174.853 176.870 -0.034 0.000 1.080 235 L CA -1.965 52.847 54.840 -0.047 0.000 0.803 235 L CB 0.890 42.921 42.059 -0.047 0.000 1.174 235 L HN -0.174 nan 8.230 nan 0.000 0.443 236 P HA 0.095 nan 4.420 nan 0.000 0.277 236 P C -0.056 177.235 177.300 -0.016 0.000 1.271 236 P CA -0.571 62.517 63.100 -0.020 0.000 0.795 236 P CB 0.614 32.304 31.700 -0.017 0.000 1.101 237 Q N 0.715 120.508 119.800 -0.013 0.000 2.045 237 Q HA -0.267 4.076 4.340 0.004 0.000 0.206 237 Q C 1.545 177.541 176.000 -0.006 0.000 0.991 237 Q CA 2.367 58.164 55.803 -0.010 0.000 0.851 237 Q CB -0.716 28.017 28.738 -0.008 0.000 0.911 237 Q HN 0.438 nan 8.270 nan 0.000 0.418 238 E N 0.458 120.655 120.200 -0.005 0.000 2.028 238 E HA -0.143 4.209 4.350 0.004 0.000 0.191 238 E C 1.719 178.319 176.600 -0.000 0.000 0.988 238 E CA 1.614 58.012 56.400 -0.002 0.000 0.799 238 E CB -0.363 29.335 29.700 -0.003 0.000 0.755 238 E HN 0.547 nan 8.360 nan 0.000 0.447 239 D N 0.298 120.697 120.400 -0.002 0.000 2.263 239 D HA -0.100 4.543 4.640 0.004 0.000 0.208 239 D C 1.620 177.923 176.300 0.005 0.000 0.971 239 D CA 0.534 54.534 54.000 0.000 0.000 0.867 239 D CB -0.015 40.782 40.800 -0.006 0.000 0.929 239 D HN 0.062 nan 8.370 nan 0.000 0.492 240 L N 0.492 121.715 121.223 0.001 0.000 2.027 240 L HA -0.139 4.203 4.340 0.004 0.000 0.206 240 L C 2.459 179.339 176.870 0.017 0.000 1.074 240 L CA 0.999 55.842 54.840 0.005 0.000 0.745 240 L CB -0.139 41.917 42.059 -0.004 0.000 0.898 240 L HN 0.001 nan 8.230 nan 0.000 0.433 241 E N -0.019 120.189 120.200 0.013 0.000 2.106 241 E HA -0.171 4.181 4.350 0.004 0.000 0.192 241 E C 2.131 178.743 176.600 0.020 0.000 0.984 241 E CA 1.305 57.715 56.400 0.017 0.000 0.806 241 E CB 0.037 29.744 29.700 0.013 0.000 0.750 241 E HN 0.448 nan 8.360 nan 0.000 0.458 242 A N 0.032 122.863 122.820 0.018 0.000 1.929 242 A HA -0.039 4.283 4.320 0.004 0.000 0.216 242 A C 2.186 179.786 177.584 0.027 0.000 1.176 242 A CA 0.952 53.000 52.037 0.018 0.000 0.628 242 A CB -0.150 18.858 19.000 0.014 0.000 0.816 242 A HN 0.208 nan 8.150 nan 0.000 0.444 243 L N -2.144 119.101 121.223 0.037 0.000 2.515 243 L HA 0.119 4.461 4.340 0.004 0.000 0.202 243 L C 2.186 179.117 176.870 0.102 0.000 1.056 243 L CA 0.277 55.152 54.840 0.058 0.000 0.847 243 L CB -0.360 41.731 42.059 0.053 0.000 1.131 243 L HN 0.107 nan 8.230 nan 0.000 0.484 244 V N -0.275 119.704 119.914 0.108 0.000 2.446 244 V HA -0.111 4.011 4.120 0.004 0.000 0.244 244 V C 2.556 178.733 176.094 0.138 0.000 1.039 244 V CA 1.070 63.479 62.300 0.182 0.000 1.045 244 V CB -0.170 31.716 31.823 0.105 0.000 0.681 244 V HN 0.263 nan 8.190 nan 0.000 0.459 245 M N -0.146 119.498 119.600 0.073 0.000 2.065 245 M HA -0.081 4.401 4.480 0.004 0.000 0.259 245 M C 0.104 176.430 176.300 0.042 0.000 1.069 245 M CA 1.925 57.255 55.300 0.050 0.000 1.110 245 M CB -2.618 30.001 32.600 0.032 0.000 1.328 245 M HN 0.219 nan 8.290 nan 0.000 0.405 246 P HA -0.115 nan 4.420 nan 0.000 0.217 246 P C 1.313 178.614 177.300 0.001 0.000 1.148 246 P CA 1.510 64.618 63.100 0.014 0.000 0.828 246 P CB -0.298 31.405 31.700 0.005 0.000 0.783 247 T N -0.824 113.730 114.554 -0.000 0.000 2.896 247 T HA -0.048 4.305 4.350 0.004 0.000 0.263 247 T C 1.580 176.280 174.700 -0.000 0.000 1.050 247 T CA 0.550 62.617 62.100 -0.054 0.000 1.140 247 T CB -0.762 67.988 68.868 -0.196 0.000 0.877 247 T HN 0.018 nan 8.240 nan 0.000 0.457 248 L N 1.062 122.325 121.223 0.065 0.000 2.291 248 L HA 0.139 4.481 4.340 0.004 0.000 0.214 248 L C 2.341 179.236 176.870 0.041 0.000 1.120 248 L CA 1.328 56.209 54.840 0.069 0.000 0.799 248 L CB -0.396 41.701 42.059 0.064 0.000 0.925 248 L HN 0.037 nan 8.230 nan 0.000 0.446 249 R N -0.954 119.567 120.500 0.034 0.000 2.057 249 R HA -0.154 4.188 4.340 0.004 0.000 0.229 249 R C 2.203 178.522 176.300 0.032 0.000 1.136 249 R CA 1.580 57.703 56.100 0.037 0.000 0.952 249 R CB -0.412 29.907 30.300 0.033 0.000 0.848 249 R HN 0.489 nan 8.270 nan 0.000 0.430 250 Q N 0.276 120.085 119.800 0.014 0.000 2.234 250 Q HA -0.138 4.204 4.340 0.004 0.000 0.206 250 Q C 1.827 177.835 176.000 0.013 0.000 0.980 250 Q CA 1.477 57.284 55.803 0.006 0.000 0.869 250 Q CB 0.007 28.735 28.738 -0.018 0.000 0.912 250 Q HN 0.359 nan 8.270 nan 0.000 0.436 251 A N 0.206 123.038 122.820 0.020 0.000 1.969 251 A HA -0.056 4.266 4.320 0.004 0.000 0.218 251 A C 2.155 179.770 177.584 0.050 0.000 1.169 251 A CA 1.366 53.423 52.037 0.032 0.000 0.635 251 A CB -0.595 18.432 19.000 0.045 0.000 0.810 251 A HN 0.508 nan 8.150 nan 0.000 0.445 252 A N -0.563 122.293 122.820 0.061 0.000 1.968 252 A HA -0.020 4.302 4.320 0.004 0.000 0.217 252 A C 1.519 179.141 177.584 0.062 0.000 1.169 252 A CA 1.309 53.394 52.037 0.079 0.000 0.638 252 A CB -0.160 18.901 19.000 0.102 0.000 0.812 252 A HN 0.538 nan 8.150 nan 0.000 0.446 253 E N 0.344 120.574 120.200 0.049 0.000 2.815 253 E HA 0.077 4.429 4.350 0.004 0.000 0.211 253 E C -0.892 175.731 176.600 0.037 0.000 1.004 253 E CA -0.404 56.022 56.400 0.043 0.000 1.173 253 E CB 0.272 29.994 29.700 0.037 0.000 1.163 253 E HN 0.477 nan 8.360 nan 0.000 0.449 254 D N 0.955 121.377 120.400 0.038 0.000 2.414 254 D HA -0.023 4.619 4.640 0.004 0.000 0.242 254 D C 0.831 177.155 176.300 0.040 0.000 1.129 254 D CA 0.242 54.259 54.000 0.028 0.000 0.885 254 D CB 1.143 41.955 40.800 0.020 0.000 1.198 254 D HN -0.086 nan 8.370 nan 0.000 0.437 255 K N 0.927 121.345 120.400 0.030 0.000 2.044 255 K HA -0.140 4.182 4.320 0.004 0.000 0.210 255 K C 0.963 177.604 176.600 0.067 0.000 1.049 255 K CA 0.760 57.073 56.287 0.043 0.000 0.927 255 K CB -0.339 32.177 32.500 0.028 0.000 0.713 255 K HN 0.253 nan 8.250 nan 0.000 0.443 256 S N 0.898 116.620 115.700 0.036 0.000 2.531 256 S HA 0.000 4.472 4.470 0.004 0.000 0.279 256 S C 1.096 175.725 174.600 0.049 0.000 1.305 256 S CA -0.743 57.464 58.200 0.011 0.000 1.058 256 S CB 0.183 63.332 63.200 -0.086 0.000 0.899 256 S HN 0.485 nan 8.310 nan 0.000 0.493 257 W N 6.404 127.718 121.300 0.024 0.000 2.425 257 W HA -0.094 4.568 4.660 0.004 0.000 0.277 257 W C 1.179 177.741 176.519 0.072 0.000 1.231 257 W CA 0.386 57.757 57.345 0.042 0.000 1.248 257 W CB -0.722 28.756 29.460 0.029 0.000 1.117 257 W HN 0.714 nan 8.180 nan 0.000 0.568 258 R N 1.085 121.035 120.500 -0.917 0.000 2.120 258 R HA -0.113 4.229 4.340 0.004 0.000 0.234 258 R C 2.339 178.495 176.300 -0.239 0.000 1.123 258 R CA 1.998 57.604 56.100 -0.825 0.000 0.975 258 R CB -0.707 29.082 30.300 -0.851 0.000 0.866 258 R HN 0.097 nan 8.270 nan 0.000 0.446 259 V N 0.768 120.597 119.914 -0.143 0.000 2.548 259 V HA -0.163 3.959 4.120 0.004 0.000 0.249 259 V C 2.134 178.254 176.094 0.043 0.000 1.055 259 V CA 1.597 63.880 62.300 -0.030 0.000 1.065 259 V CB -0.443 31.366 31.823 -0.023 0.000 0.681 259 V HN 0.272 nan 8.190 nan 0.000 0.462 260 R N -1.179 119.371 120.500 0.084 0.000 2.127 260 R HA -0.057 4.285 4.340 0.004 0.000 0.217 260 R C 2.307 178.699 176.300 0.153 0.000 1.074 260 R CA 1.177 57.349 56.100 0.121 0.000 0.991 260 R CB -0.371 30.014 30.300 0.142 0.000 0.895 260 R HN 0.609 nan 8.270 nan 0.000 0.450 261 Y N 1.145 121.502 120.300 0.095 0.000 2.224 261 Y HA -0.233 4.320 4.550 0.004 0.000 0.289 261 Y C 2.305 178.242 175.900 0.062 0.000 1.146 261 Y CA 1.511 59.682 58.100 0.119 0.000 1.182 261 Y CB 0.016 38.591 38.460 0.192 0.000 0.983 261 Y HN -0.091 nan 8.280 nan 0.000 0.524 262 M N -0.742 118.934 119.600 0.125 0.000 2.156 262 M HA -0.105 4.378 4.480 0.004 0.000 0.264 262 M C 1.909 178.218 176.300 0.015 0.000 1.067 262 M CA 1.496 56.832 55.300 0.060 0.000 1.131 262 M CB -0.600 32.050 32.600 0.083 0.000 1.368 262 M HN 0.123 nan 8.290 nan 0.000 0.416 263 V N 0.345 120.288 119.914 0.048 0.000 2.261 263 V HA -0.247 3.875 4.120 0.004 0.000 0.246 263 V C 2.543 178.728 176.094 0.151 0.000 1.047 263 V CA 1.936 64.290 62.300 0.089 0.000 1.015 263 V CB -1.791 30.101 31.823 0.116 0.000 0.642 263 V HN 0.602 nan 8.190 nan 0.000 0.446 264 A N -0.020 122.834 122.820 0.056 0.000 1.972 264 A HA -0.292 4.030 4.320 0.004 0.000 0.219 264 A C 2.022 179.533 177.584 -0.121 0.000 1.169 264 A CA 2.142 54.144 52.037 -0.058 0.000 0.635 264 A CB -0.679 18.205 19.000 -0.193 0.000 0.810 264 A HN 0.622 nan 8.150 nan 0.000 0.446 265 D N -0.427 119.830 120.400 -0.238 0.000 2.117 265 D HA -0.079 4.563 4.640 0.004 0.000 0.198 265 D C 1.184 177.451 176.300 -0.056 0.000 0.982 265 D CA 1.123 54.965 54.000 -0.263 0.000 0.828 265 D CB -0.024 40.544 40.800 -0.386 0.000 0.967 265 D HN 0.374 nan 8.370 nan 0.000 0.464 266 K N -0.445 119.962 120.400 0.011 0.000 2.832 266 K HA 0.089 4.412 4.320 0.004 0.000 0.211 266 K C 0.290 176.939 176.600 0.081 0.000 1.112 266 K CA -0.390 55.922 56.287 0.042 0.000 1.108 266 K CB 0.154 32.664 32.500 0.017 0.000 0.899 266 K HN 0.161 nan 8.250 nan 0.000 0.464 267 F N 1.746 121.681 119.950 -0.024 0.000 2.187 267 F HA -0.165 4.364 4.527 0.004 0.000 0.295 267 F C 2.397 178.214 175.800 0.029 0.000 1.091 267 F CA 1.602 59.592 58.000 -0.016 0.000 1.308 267 F CB 0.221 39.199 39.000 -0.038 0.000 1.030 267 F HN 0.092 nan 8.300 nan 0.000 0.487 268 T N -2.971 111.740 114.554 0.262 0.000 3.085 268 T HA -0.051 4.301 4.350 0.004 0.000 0.263 268 T C 1.627 176.389 174.700 0.104 0.000 1.127 268 T CA 0.807 63.033 62.100 0.209 0.000 1.103 268 T CB -0.238 68.749 68.868 0.199 0.000 0.921 268 T HN 0.304 nan 8.240 nan 0.000 0.510 269 E N 0.914 121.151 120.200 0.061 0.000 2.076 269 E HA 0.080 4.433 4.350 0.004 0.000 0.190 269 E C 2.105 178.695 176.600 -0.016 0.000 0.979 269 E CA 0.545 56.957 56.400 0.020 0.000 0.807 269 E CB -0.151 29.556 29.700 0.012 0.000 0.761 269 E HN 0.503 nan 8.360 nan 0.000 0.454 270 L N 1.059 122.244 121.223 -0.063 0.000 1.961 270 L HA -0.250 4.093 4.340 0.004 0.000 0.210 270 L C 2.915 179.727 176.870 -0.095 0.000 1.072 270 L CA 1.480 56.243 54.840 -0.128 0.000 0.749 270 L CB -0.727 41.166 42.059 -0.277 0.000 0.889 270 L HN 0.168 nan 8.230 nan 0.000 0.432 271 Q N 0.498 120.252 119.800 -0.077 0.000 1.991 271 Q HA -0.348 3.994 4.340 0.004 0.000 0.213 271 Q C 2.370 178.384 176.000 0.023 0.000 1.022 271 Q CA 2.372 58.196 55.803 0.035 0.000 0.877 271 Q CB -0.227 28.630 28.738 0.199 0.000 0.970 271 Q HN 0.172 nan 8.270 nan 0.000 0.414 272 K N -0.295 120.125 120.400 0.033 0.000 2.107 272 K HA -0.208 4.114 4.320 0.004 0.000 0.211 272 K C 1.801 178.399 176.600 -0.003 0.000 1.049 272 K CA 1.773 58.071 56.287 0.018 0.000 0.927 272 K CB -0.459 32.055 32.500 0.022 0.000 0.714 272 K HN 0.426 nan 8.250 nan 0.000 0.452 273 A N -0.112 122.698 122.820 -0.016 0.000 2.072 273 A HA -0.009 4.314 4.320 0.004 0.000 0.216 273 A C 2.122 179.686 177.584 -0.033 0.000 1.156 273 A CA 0.795 52.815 52.037 -0.029 0.000 0.701 273 A CB 0.017 18.993 19.000 -0.041 0.000 0.816 273 A HN 0.149 nan 8.150 nan 0.000 0.458 274 V N -0.892 119.003 119.914 -0.032 0.000 3.235 274 V HA 0.365 4.487 4.120 0.004 0.000 0.259 274 V C 1.121 177.205 176.094 -0.018 0.000 1.133 274 V CA 1.375 63.657 62.300 -0.031 0.000 1.128 274 V CB -0.615 31.183 31.823 -0.042 0.000 0.757 274 V HN 1.200 nan 8.190 nan 0.000 0.469 275 G N 0.257 109.050 108.800 -0.012 0.000 2.692 275 G HA2 -0.116 3.847 3.960 0.004 0.000 0.686 275 G HA3 -0.116 3.847 3.960 0.004 0.000 0.686 275 G C -1.592 173.305 174.900 -0.006 0.000 1.243 275 G CA -0.177 44.917 45.100 -0.010 0.000 0.782 275 G HN 0.150 nan 8.290 nan 0.000 0.625 276 P HA -0.099 nan 4.420 nan 0.000 0.218 276 P C 1.399 178.690 177.300 -0.014 0.000 1.148 276 P CA 1.667 64.756 63.100 -0.019 0.000 0.822 276 P CB 0.137 31.821 31.700 -0.026 0.000 0.784 277 E N -0.026 120.169 120.200 -0.009 0.000 2.051 277 E HA -0.111 4.242 4.350 0.004 0.000 0.192 277 E C 2.316 178.919 176.600 0.005 0.000 0.991 277 E CA 1.057 57.455 56.400 -0.005 0.000 0.799 277 E CB -0.607 29.090 29.700 -0.004 0.000 0.748 277 E HN 0.381 nan 8.360 nan 0.000 0.449 278 I N 0.992 121.566 120.570 0.008 0.000 2.400 278 I HA -0.163 4.009 4.170 0.004 0.000 0.248 278 I C 2.385 178.524 176.117 0.037 0.000 1.109 278 I CA 0.831 62.142 61.300 0.018 0.000 1.425 278 I CB -0.475 37.530 38.000 0.009 0.000 1.094 278 I HN 0.007 nan 8.210 nan 0.000 0.425 279 T N 1.658 116.236 114.554 0.040 0.000 2.624 279 T HA -0.299 4.053 4.350 0.004 0.000 0.266 279 T C 1.786 176.563 174.700 0.128 0.000 1.050 279 T CA 2.123 64.280 62.100 0.094 0.000 1.163 279 T CB -0.322 68.588 68.868 0.070 0.000 0.861 279 T HN 0.403 nan 8.240 nan 0.000 0.443 280 K N 0.730 121.161 120.400 0.053 0.000 2.044 280 K HA -0.008 4.315 4.320 0.004 0.000 0.204 280 K C 2.753 179.393 176.600 0.067 0.000 1.049 280 K CA 1.567 57.879 56.287 0.041 0.000 0.945 280 K CB -0.584 31.909 32.500 -0.012 0.000 0.724 280 K HN 0.488 nan 8.250 nan 0.000 0.440 281 T N -0.467 114.117 114.554 0.050 0.000 2.881 281 T HA -0.111 4.242 4.350 0.004 0.000 0.270 281 T C 1.370 176.111 174.700 0.067 0.000 1.068 281 T CA 1.410 63.539 62.100 0.048 0.000 1.131 281 T CB -0.030 68.857 68.868 0.031 0.000 0.871 281 T HN 0.069 nan 8.240 nan 0.000 0.479 282 D N -0.516 119.934 120.400 0.083 0.000 2.602 282 D HA 0.240 4.882 4.640 0.004 0.000 0.284 282 D C 1.766 178.147 176.300 0.135 0.000 1.065 282 D CA -0.047 54.006 54.000 0.088 0.000 0.923 282 D CB 0.348 41.180 40.800 0.054 0.000 1.373 282 D HN 0.147 nan 8.370 nan 0.000 0.492 283 L N 1.340 122.668 121.223 0.176 0.000 2.023 283 L HA -0.062 4.280 4.340 0.004 0.000 0.205 283 L C 2.561 179.732 176.870 0.502 0.000 1.073 283 L CA 1.119 56.132 54.840 0.287 0.000 0.745 283 L CB -0.956 41.234 42.059 0.218 0.000 0.900 283 L HN -0.111 nan 8.230 nan 0.000 0.435 284 V N 0.573 120.783 119.914 0.492 0.000 2.277 284 V HA -0.273 3.849 4.120 0.004 0.000 0.253 284 V C -0.230 176.056 176.094 0.320 0.000 1.067 284 V CA 2.332 64.910 62.300 0.462 0.000 1.047 284 V CB -1.908 30.088 31.823 0.289 0.000 0.649 284 V HN 0.350 nan 8.190 nan 0.000 0.447 285 P HA -0.080 nan 4.420 nan 0.000 0.218 285 P C 1.623 179.024 177.300 0.168 0.000 1.149 285 P CA 1.864 65.064 63.100 0.167 0.000 0.817 285 P CB -0.128 31.646 31.700 0.123 0.000 0.785 286 A N -1.081 121.870 122.820 0.219 0.000 1.897 286 A HA -0.150 4.172 4.320 0.004 0.000 0.215 286 A C 2.086 179.747 177.584 0.128 0.000 1.181 286 A CA 1.037 53.195 52.037 0.201 0.000 0.620 286 A CB -1.833 17.332 19.000 0.275 0.000 0.821 286 A HN 0.134 nan 8.150 nan 0.000 0.443 287 F N 0.647 120.563 119.950 -0.057 0.000 2.202 287 F HA -0.220 4.309 4.527 0.004 0.000 0.301 287 F C 2.481 178.148 175.800 -0.223 0.000 1.082 287 F CA 2.089 59.800 58.000 -0.481 0.000 1.313 287 F CB -0.070 38.467 39.000 -0.771 0.000 1.024 287 F HN 0.303 nan 8.300 nan 0.000 0.495 288 Q N -0.280 119.605 119.800 0.142 0.000 2.172 288 Q HA -0.166 4.177 4.340 0.004 0.000 0.200 288 Q C 1.845 177.841 176.000 -0.007 0.000 0.964 288 Q CA 1.218 57.073 55.803 0.086 0.000 0.855 288 Q CB -0.162 28.645 28.738 0.116 0.000 0.918 288 Q HN 0.434 nan 8.270 nan 0.000 0.444 289 N N 0.371 119.067 118.700 -0.006 0.000 2.216 289 N HA -0.080 4.662 4.740 0.004 0.000 0.183 289 N C 1.799 177.268 175.510 -0.069 0.000 1.017 289 N CA 0.879 53.918 53.050 -0.017 0.000 0.861 289 N CB 0.012 38.510 38.487 0.018 0.000 0.986 289 N HN 0.227 nan 8.380 nan 0.000 0.428 290 L N 0.582 121.712 121.223 -0.155 0.000 2.072 290 L HA 0.018 4.361 4.340 0.004 0.000 0.205 290 L C 2.350 179.074 176.870 -0.243 0.000 1.079 290 L CA 0.825 55.535 54.840 -0.216 0.000 0.752 290 L CB -0.339 41.504 42.059 -0.359 0.000 0.906 290 L HN 0.063 nan 8.230 nan 0.000 0.436 291 M N -0.514 118.894 119.600 -0.320 0.000 2.296 291 M HA -0.176 4.306 4.480 0.004 0.000 0.265 291 M C 1.871 178.103 176.300 -0.113 0.000 1.064 291 M CA 1.563 56.724 55.300 -0.230 0.000 1.109 291 M CB -0.265 32.205 32.600 -0.217 0.000 1.396 291 M HN 0.132 nan 8.290 nan 0.000 0.430 292 K N -0.118 120.231 120.400 -0.086 0.000 2.418 292 K HA 0.004 4.326 4.320 0.004 0.000 0.195 292 K C 0.457 177.034 176.600 -0.037 0.000 1.035 292 K CA -0.016 56.244 56.287 -0.045 0.000 1.003 292 K CB -0.036 32.449 32.500 -0.024 0.000 0.793 292 K HN 0.257 nan 8.250 nan 0.000 0.494 293 D N 0.943 121.316 120.400 -0.046 0.000 2.548 293 D HA -0.114 4.528 4.640 0.004 0.000 0.231 293 D C 0.890 177.177 176.300 -0.022 0.000 1.142 293 D CA 0.161 54.149 54.000 -0.020 0.000 0.866 293 D CB 0.889 41.684 40.800 -0.008 0.000 1.190 293 D HN 0.302 nan 8.370 nan 0.000 0.469 294 C N 2.614 121.906 119.300 -0.013 0.000 2.573 294 C HA 0.295 4.758 4.460 0.004 0.000 0.273 294 C C 0.319 175.273 174.990 -0.059 0.000 1.346 294 C CA -0.714 58.286 59.018 -0.029 0.000 1.702 294 C CB -0.711 27.017 27.740 -0.020 0.000 1.751 294 C HN 0.333 nan 8.230 nan 0.000 0.583 295 E N 0.399 120.560 120.200 -0.066 0.000 2.155 295 E HA 0.463 4.816 4.350 0.004 0.000 0.264 295 E C 0.810 177.344 176.600 -0.110 0.000 0.886 295 E CA 0.159 56.472 56.400 -0.146 0.000 0.752 295 E CB 1.892 31.441 29.700 -0.253 0.000 1.133 295 E HN 0.336 nan 8.360 nan 0.000 0.414 296 A N 3.572 126.321 122.820 -0.119 0.000 2.093 296 A HA -0.251 4.072 4.320 0.004 0.000 0.222 296 A C 1.562 179.143 177.584 -0.004 0.000 1.162 296 A CA 1.757 53.760 52.037 -0.055 0.000 0.655 296 A CB -0.114 18.856 19.000 -0.051 0.000 0.805 296 A HN 0.454 nan 8.150 nan 0.000 0.461 297 E N -0.758 119.419 120.200 -0.040 0.000 2.086 297 E HA -0.011 4.342 4.350 0.004 0.000 0.190 297 E C 1.884 178.659 176.600 0.291 0.000 0.975 297 E CA 1.024 57.485 56.400 0.102 0.000 0.813 297 E CB -0.348 29.328 29.700 -0.040 0.000 0.768 297 E HN 0.343 nan 8.360 nan 0.000 0.457 298 V N 1.195 121.251 119.914 0.238 0.000 2.626 298 V HA -0.167 3.955 4.120 0.004 0.000 0.252 298 V C 2.089 178.189 176.094 0.010 0.000 1.067 298 V CA 1.493 63.898 62.300 0.176 0.000 1.081 298 V CB -0.446 31.475 31.823 0.163 0.000 0.686 298 V HN 0.173 nan 8.190 nan 0.000 0.468 299 R N 0.391 120.891 120.500 0.001 0.000 2.073 299 R HA -0.029 4.313 4.340 0.004 0.000 0.229 299 R C 2.461 178.746 176.300 -0.025 0.000 1.120 299 R CA 1.408 57.479 56.100 -0.048 0.000 0.967 299 R CB -0.500 29.778 30.300 -0.036 0.000 0.862 299 R HN 0.527 nan 8.270 nan 0.000 0.436 300 A N 1.270 124.122 122.820 0.053 0.000 1.930 300 A HA -0.032 4.291 4.320 0.004 0.000 0.217 300 A C 2.363 180.052 177.584 0.174 0.000 1.175 300 A CA 1.445 53.553 52.037 0.118 0.000 0.627 300 A CB -0.471 18.639 19.000 0.183 0.000 0.815 300 A HN 0.362 nan 8.150 nan 0.000 0.443 301 A N 0.097 122.973 122.820 0.093 0.000 1.883 301 A HA 0.112 4.434 4.320 0.004 0.000 0.217 301 A C 2.520 180.056 177.584 -0.079 0.000 1.186 301 A CA 2.261 54.271 52.037 -0.045 0.000 0.624 301 A CB -1.077 17.721 19.000 -0.337 0.000 0.822 301 A HN 1.037 nan 8.150 nan 0.000 0.444 302 A N -0.505 122.199 122.820 -0.193 0.000 1.877 302 A HA -0.074 4.249 4.320 0.004 0.000 0.216 302 A C 2.424 179.894 177.584 -0.190 0.000 1.186 302 A CA 2.084 53.880 52.037 -0.401 0.000 0.620 302 A CB -0.997 17.584 19.000 -0.697 0.000 0.822 302 A HN 0.480 nan 8.150 nan 0.000 0.443 303 S N -0.629 115.013 115.700 -0.097 0.000 2.402 303 S HA -0.218 4.254 4.470 0.004 0.000 0.233 303 S C 1.694 176.289 174.600 -0.007 0.000 1.030 303 S CA 1.791 59.968 58.200 -0.038 0.000 1.003 303 S CB -0.583 62.571 63.200 -0.077 0.000 0.813 303 S HN 0.784 nan 8.310 nan 0.000 0.477 304 H N 0.533 119.615 119.070 0.020 0.000 2.491 304 H HA 0.135 4.693 4.556 0.004 0.000 0.290 304 H C 1.415 176.790 175.328 0.078 0.000 1.050 304 H CA 0.953 57.026 56.048 0.043 0.000 1.309 304 H CB 0.117 29.894 29.762 0.025 0.000 1.392 304 H HN 0.187 nan 8.280 nan 0.000 0.554 305 K N -0.029 120.501 120.400 0.216 0.000 2.576 305 K HA 0.121 4.444 4.320 0.004 0.000 0.209 305 K C 0.664 177.460 176.600 0.326 0.000 1.049 305 K CA -0.144 56.294 56.287 0.252 0.000 1.140 305 K CB 0.885 33.535 32.500 0.250 0.000 0.871 305 K HN 0.056 nan 8.250 nan 0.000 0.479 306 V N 0.528 120.603 119.914 0.269 0.000 2.446 306 V HA -0.139 3.984 4.120 0.004 0.000 0.244 306 V C 2.048 178.222 176.094 0.134 0.000 1.039 306 V CA 1.424 63.864 62.300 0.234 0.000 1.045 306 V CB -0.086 31.849 31.823 0.187 0.000 0.681 306 V HN 0.295 nan 8.190 nan 0.000 0.459 307 K N -0.239 120.227 120.400 0.110 0.000 2.211 307 K HA -0.159 4.163 4.320 0.004 0.000 0.203 307 K C 2.028 178.671 176.600 0.071 0.000 1.050 307 K CA 1.446 57.776 56.287 0.071 0.000 0.945 307 K CB 0.073 32.609 32.500 0.060 0.000 0.732 307 K HN 0.591 nan 8.250 nan 0.000 0.451 308 E N -0.631 119.637 120.200 0.114 0.000 2.127 308 E HA -0.063 4.289 4.350 0.004 0.000 0.191 308 E C 1.658 178.337 176.600 0.132 0.000 0.964 308 E CA 0.275 56.742 56.400 0.112 0.000 0.832 308 E CB -0.113 29.669 29.700 0.136 0.000 0.790 308 E HN 0.186 nan 8.360 nan 0.000 0.465 309 F N 1.245 121.185 119.950 -0.017 0.000 2.065 309 F HA -0.306 4.223 4.527 0.004 0.000 0.298 309 F C 1.962 177.692 175.800 -0.117 0.000 1.112 309 F CA 1.213 59.161 58.000 -0.087 0.000 1.212 309 F CB -0.013 38.802 39.000 -0.308 0.000 0.975 309 F HN 0.048 nan 8.300 nan 0.000 0.476 310 C N 0.396 119.572 119.300 -0.208 0.000 2.472 310 C HA -0.081 4.382 4.460 0.004 0.000 0.278 310 C C 2.510 177.397 174.990 -0.172 0.000 1.447 310 C CA 1.048 59.901 59.018 -0.274 0.000 1.773 310 C CB -1.391 26.253 27.740 -0.160 0.000 1.793 310 C HN 0.635 nan 8.230 nan 0.000 0.544 311 E N 1.185 121.326 120.200 -0.098 0.000 2.127 311 E HA -0.065 4.287 4.350 0.004 0.000 0.191 311 E C 1.201 177.762 176.600 -0.065 0.000 0.964 311 E CA 0.866 57.229 56.400 -0.061 0.000 0.832 311 E CB -0.155 29.534 29.700 -0.018 0.000 0.790 311 E HN 0.571 nan 8.360 nan 0.000 0.465 312 N N 0.385 119.049 118.700 -0.061 0.000 2.398 312 N HA 0.142 4.885 4.740 0.004 0.000 0.188 312 N C 0.071 175.529 175.510 -0.086 0.000 1.122 312 N CA -0.055 52.967 53.050 -0.046 0.000 0.866 312 N CB 0.203 38.692 38.487 0.003 0.000 0.970 312 N HN 0.095 nan 8.380 nan 0.000 0.462 313 L N 0.534 121.660 121.223 -0.163 0.000 2.472 313 L HA 0.010 4.352 4.340 0.004 0.000 0.273 313 L C 0.815 177.619 176.870 -0.111 0.000 1.254 313 L CA -0.235 54.495 54.840 -0.183 0.000 0.823 313 L CB 0.100 42.000 42.059 -0.266 0.000 1.096 313 L HN 0.181 nan 8.230 nan 0.000 0.521 314 S N 0.321 115.964 115.700 -0.095 0.000 2.528 314 S HA 0.296 4.768 4.470 0.004 0.000 0.277 314 S C 0.768 175.330 174.600 -0.064 0.000 1.297 314 S CA -0.402 57.759 58.200 -0.065 0.000 1.052 314 S CB 1.445 64.614 63.200 -0.052 0.000 0.917 314 S HN 0.683 nan 8.310 nan 0.000 0.492 315 A N 1.742 124.532 122.820 -0.051 0.000 2.276 315 A HA -0.062 4.260 4.320 0.004 0.000 0.205 315 A C 1.677 179.237 177.584 -0.040 0.000 1.234 315 A CA 0.898 52.908 52.037 -0.045 0.000 0.797 315 A CB -0.738 18.241 19.000 -0.035 0.000 0.769 315 A HN 0.955 nan 8.150 nan 0.000 0.491 316 D N -0.219 120.156 120.400 -0.042 0.000 2.085 316 D HA -0.098 4.544 4.640 0.004 0.000 0.199 316 D C 0.944 177.222 176.300 -0.036 0.000 0.981 316 D CA 1.958 55.936 54.000 -0.035 0.000 0.834 316 D CB 0.057 40.837 40.800 -0.035 0.000 0.992 316 D HN 0.605 nan 8.370 nan 0.000 0.457 317 C N 0.376 119.648 119.300 -0.046 0.000 3.177 317 C HA 0.478 4.940 4.460 0.004 0.000 0.264 317 C C 1.473 176.425 174.990 -0.062 0.000 2.151 317 C CA -1.086 57.905 59.018 -0.045 0.000 1.254 317 C CB -0.839 26.879 27.740 -0.037 0.000 2.264 317 C HN 0.213 nan 8.230 nan 0.000 0.571 318 R N 2.099 122.554 120.500 -0.074 0.000 2.062 318 R HA -0.111 4.231 4.340 0.004 0.000 0.231 318 R C 1.958 178.204 176.300 -0.091 0.000 1.136 318 R CA 2.170 58.211 56.100 -0.100 0.000 0.948 318 R CB -0.209 30.031 30.300 -0.101 0.000 0.845 318 R HN 0.730 nan 8.270 nan 0.000 0.430 319 E N 0.483 120.643 120.200 -0.068 0.000 2.118 319 E HA -0.209 4.144 4.350 0.004 0.000 0.195 319 E C 1.772 178.336 176.600 -0.060 0.000 0.992 319 E CA 1.733 58.098 56.400 -0.059 0.000 0.804 319 E CB -0.034 29.641 29.700 -0.041 0.000 0.741 319 E HN 0.553 nan 8.360 nan 0.000 0.458 320 N N 0.490 119.158 118.700 -0.054 0.000 2.058 320 N HA -0.166 4.576 4.740 0.004 0.000 0.191 320 N C 2.137 177.613 175.510 -0.058 0.000 1.037 320 N CA 2.024 55.044 53.050 -0.049 0.000 0.848 320 N CB -0.944 37.521 38.487 -0.036 0.000 1.021 320 N HN 0.237 nan 8.380 nan 0.000 0.422 321 V N -0.956 118.920 119.914 -0.063 0.000 2.867 321 V HA -0.048 4.075 4.120 0.004 0.000 0.260 321 V C 2.361 178.412 176.094 -0.072 0.000 1.099 321 V CA 0.860 63.123 62.300 -0.061 0.000 1.122 321 V CB -0.942 30.840 31.823 -0.068 0.000 0.708 321 V HN 0.144 nan 8.190 nan 0.000 0.490 322 I N -0.163 120.353 120.570 -0.090 0.000 2.226 322 I HA -0.200 3.972 4.170 0.004 0.000 0.245 322 I C 2.628 178.697 176.117 -0.079 0.000 1.100 322 I CA 2.281 63.529 61.300 -0.086 0.000 1.374 322 I CB -0.173 37.774 38.000 -0.088 0.000 1.057 322 I HN 0.302 nan 8.210 nan 0.000 0.413 323 M N -1.430 118.110 119.600 -0.100 0.000 2.516 323 M HA -0.022 4.461 4.480 0.004 0.000 0.259 323 M C 2.131 178.359 176.300 -0.119 0.000 1.146 323 M CA 0.801 56.008 55.300 -0.155 0.000 1.122 323 M CB -0.093 32.376 32.600 -0.219 0.000 1.341 323 M HN 0.065 nan 8.290 nan 0.000 0.478 324 T N -0.224 114.287 114.554 -0.072 0.000 3.014 324 T HA 0.010 4.362 4.350 0.004 0.000 0.263 324 T C 1.804 176.492 174.700 -0.019 0.000 1.078 324 T CA 1.092 63.166 62.100 -0.043 0.000 1.135 324 T CB 0.304 69.155 68.868 -0.029 0.000 0.895 324 T HN 0.268 nan 8.240 nan 0.000 0.480 325 Q N -0.645 119.148 119.800 -0.012 0.000 2.631 325 Q HA 0.315 4.658 4.340 0.004 0.000 0.220 325 Q C 2.111 178.137 176.000 0.042 0.000 0.819 325 Q CA 0.270 56.086 55.803 0.022 0.000 0.914 325 Q CB -0.258 28.503 28.738 0.038 0.000 1.248 325 Q HN 0.399 nan 8.270 nan 0.000 0.629 326 I N 1.171 121.762 120.570 0.036 0.000 2.193 326 I HA -0.202 3.970 4.170 0.004 0.000 0.240 326 I C 2.103 178.251 176.117 0.052 0.000 1.084 326 I CA 0.928 62.271 61.300 0.071 0.000 1.365 326 I CB -0.360 37.666 38.000 0.043 0.000 1.064 326 I HN 0.072 nan 8.210 nan 0.000 0.410 327 L N 0.504 121.729 121.223 0.004 0.000 2.131 327 L HA -0.119 4.223 4.340 0.004 0.000 0.210 327 L C -0.410 176.461 176.870 0.002 0.000 1.092 327 L CA 2.130 56.966 54.840 -0.008 0.000 0.759 327 L CB -1.977 40.040 42.059 -0.069 0.000 0.903 327 L HN 0.165 nan 8.230 nan 0.000 0.435 328 P HA -0.160 nan 4.420 nan 0.000 0.216 328 P C 1.881 179.197 177.300 0.026 0.000 1.150 328 P CA 1.496 64.603 63.100 0.012 0.000 0.843 328 P CB -0.084 31.623 31.700 0.011 0.000 0.787 329 C N -1.974 117.350 119.300 0.040 0.000 2.495 329 C HA 0.096 4.558 4.460 0.004 0.000 0.275 329 C C 2.623 177.637 174.990 0.040 0.000 1.392 329 C CA 0.082 59.126 59.018 0.043 0.000 1.766 329 C CB -1.554 26.227 27.740 0.067 0.000 1.933 329 C HN 0.179 nan 8.230 nan 0.000 0.519 330 I N 0.800 121.399 120.570 0.048 0.000 2.233 330 I HA -0.184 3.988 4.170 0.004 0.000 0.243 330 I C 2.403 178.540 176.117 0.033 0.000 1.093 330 I CA 1.403 62.730 61.300 0.045 0.000 1.380 330 I CB -0.372 37.660 38.000 0.054 0.000 1.067 330 I HN 0.314 nan 8.210 nan 0.000 0.413 331 K N 0.588 121.009 120.400 0.034 0.000 2.173 331 K HA -0.225 4.098 4.320 0.004 0.000 0.207 331 K C 1.850 178.461 176.600 0.019 0.000 1.046 331 K CA 1.383 57.689 56.287 0.032 0.000 0.929 331 K CB -0.163 32.359 32.500 0.037 0.000 0.720 331 K HN 0.398 nan 8.250 nan 0.000 0.453 332 E N 0.865 121.075 120.200 0.015 0.000 2.076 332 E HA -0.102 4.251 4.350 0.004 0.000 0.190 332 E C 2.013 178.612 176.600 -0.001 0.000 0.979 332 E CA 0.796 57.199 56.400 0.006 0.000 0.807 332 E CB -0.242 29.461 29.700 0.004 0.000 0.761 332 E HN 0.349 nan 8.360 nan 0.000 0.454 333 L N 1.104 122.327 121.223 -0.000 0.000 2.551 333 L HA -0.025 4.318 4.340 0.004 0.000 0.228 333 L C 2.045 178.910 176.870 -0.008 0.000 1.153 333 L CA 0.141 54.976 54.840 -0.009 0.000 0.851 333 L CB -0.110 41.942 42.059 -0.011 0.000 0.959 333 L HN -0.054 nan 8.230 nan 0.000 0.451 334 V N -2.045 117.868 119.914 -0.002 0.000 2.825 334 V HA -0.039 4.083 4.120 0.004 0.000 0.246 334 V C 1.824 177.911 176.094 -0.012 0.000 1.068 334 V CA 0.938 63.235 62.300 -0.004 0.000 1.088 334 V CB 0.406 32.233 31.823 0.005 0.000 0.733 334 V HN 0.257 nan 8.190 nan 0.000 0.468 335 S N 0.007 115.701 115.700 -0.010 0.000 2.763 335 S HA 0.104 4.577 4.470 0.004 0.000 0.237 335 S C 0.410 174.998 174.600 -0.019 0.000 0.966 335 S CA -0.145 58.046 58.200 -0.015 0.000 1.017 335 S CB -0.529 62.665 63.200 -0.010 0.000 0.780 335 S HN 0.504 nan 8.310 nan 0.000 0.476 336 D N 1.082 121.469 120.400 -0.022 0.000 2.339 336 D HA 0.356 4.998 4.640 0.004 0.000 0.245 336 D C 0.927 177.205 176.300 -0.036 0.000 1.115 336 D CA -0.087 53.896 54.000 -0.028 0.000 0.917 336 D CB 1.462 42.245 40.800 -0.028 0.000 1.192 336 D HN 0.209 nan 8.370 nan 0.000 0.428 337 A N 3.302 126.098 122.820 -0.041 0.000 2.021 337 A HA -0.059 4.264 4.320 0.004 0.000 0.216 337 A C 1.069 178.614 177.584 -0.065 0.000 1.163 337 A CA 0.325 52.333 52.037 -0.048 0.000 0.676 337 A CB -0.223 18.749 19.000 -0.046 0.000 0.818 337 A HN 0.618 nan 8.150 nan 0.000 0.453 338 N N -0.127 118.532 118.700 -0.068 0.000 2.458 338 N HA 0.263 5.006 4.740 0.004 0.000 0.270 338 N C 0.504 175.953 175.510 -0.102 0.000 1.102 338 N CA -0.066 52.927 53.050 -0.095 0.000 0.967 338 N CB 0.802 39.247 38.487 -0.069 0.000 1.078 338 N HN 0.262 nan 8.380 nan 0.000 0.471 339 Q N 1.011 120.705 119.800 -0.177 0.000 2.378 339 Q HA -0.033 4.310 4.340 0.004 0.000 0.205 339 Q C 0.604 176.558 176.000 -0.076 0.000 0.954 339 Q CA 0.932 56.650 55.803 -0.143 0.000 0.901 339 Q CB 0.150 28.790 28.738 -0.163 0.000 0.981 339 Q HN 0.772 nan 8.270 nan 0.000 0.483 340 H N -1.536 117.530 119.070 -0.006 0.000 2.436 340 H HA -0.049 4.509 4.556 0.004 0.000 0.294 340 H C 1.891 177.224 175.328 0.008 0.000 1.048 340 H CA 0.881 56.938 56.048 0.014 0.000 1.353 340 H CB 0.514 30.293 29.762 0.028 0.000 1.414 340 H HN 0.034 nan 8.280 nan 0.000 0.536 341 V N 1.142 121.111 119.914 0.091 0.000 2.283 341 V HA -0.214 3.909 4.120 0.004 0.000 0.243 341 V C 2.012 178.105 176.094 -0.003 0.000 1.039 341 V CA 1.664 63.981 62.300 0.029 0.000 1.016 341 V CB -0.392 31.433 31.823 0.002 0.000 0.650 341 V HN 0.302 nan 8.190 nan 0.000 0.449 342 K N 0.380 120.774 120.400 -0.009 0.000 2.074 342 K HA -0.211 4.111 4.320 0.004 0.000 0.209 342 K C 2.516 179.106 176.600 -0.015 0.000 1.048 342 K CA 1.893 58.169 56.287 -0.017 0.000 0.926 342 K CB -0.401 32.084 32.500 -0.025 0.000 0.713 342 K HN 0.377 nan 8.250 nan 0.000 0.444 343 S N -0.082 115.620 115.700 0.003 0.000 2.377 343 S HA -0.024 4.448 4.470 0.004 0.000 0.223 343 S C 1.998 176.564 174.600 -0.057 0.000 1.030 343 S CA 0.875 59.078 58.200 0.004 0.000 0.970 343 S CB -0.149 63.089 63.200 0.063 0.000 0.830 343 S HN 0.382 nan 8.310 nan 0.000 0.473 344 A N 1.284 124.057 122.820 -0.079 0.000 1.883 344 A HA -0.051 4.271 4.320 0.004 0.000 0.217 344 A C 2.124 179.518 177.584 -0.316 0.000 1.186 344 A CA 1.751 53.605 52.037 -0.305 0.000 0.624 344 A CB -0.823 18.089 19.000 -0.147 0.000 0.822 344 A HN 0.551 nan 8.150 nan 0.000 0.444 345 L N -0.701 120.438 121.223 -0.139 0.000 2.095 345 L HA 0.152 4.495 4.340 0.004 0.000 0.204 345 L C 2.649 179.486 176.870 -0.056 0.000 1.080 345 L CA 1.845 56.636 54.840 -0.081 0.000 0.759 345 L CB -0.839 41.200 42.059 -0.032 0.000 0.914 345 L HN 0.339 nan 8.230 nan 0.000 0.439 346 A N -0.235 122.558 122.820 -0.044 0.000 1.869 346 A HA -0.311 4.011 4.320 0.004 0.000 0.218 346 A C 2.364 179.936 177.584 -0.020 0.000 1.203 346 A CA 2.618 54.645 52.037 -0.017 0.000 0.638 346 A CB -1.473 17.519 19.000 -0.013 0.000 0.831 346 A HN 0.675 nan 8.150 nan 0.000 0.450 347 S N -0.859 114.813 115.700 -0.047 0.000 2.595 347 S HA 0.069 4.541 4.470 0.004 0.000 0.235 347 S C 1.111 175.701 174.600 -0.017 0.000 0.974 347 S CA 1.249 59.430 58.200 -0.031 0.000 0.942 347 S CB -0.498 62.687 63.200 -0.025 0.000 0.766 347 S HN 1.210 nan 8.310 nan 0.000 0.536 348 V N -3.136 116.765 119.914 -0.021 0.000 3.332 348 V HA 0.407 4.530 4.120 0.004 0.000 0.263 348 V C 1.700 177.800 176.094 0.010 0.000 1.562 348 V CA -0.049 62.253 62.300 0.003 0.000 1.040 348 V CB -0.811 31.021 31.823 0.014 0.000 0.857 348 V HN 0.366 nan 8.190 nan 0.000 0.428 349 I N 0.350 120.926 120.570 0.010 0.000 2.315 349 I HA -0.231 3.941 4.170 0.004 0.000 0.251 349 I C 2.489 178.615 176.117 0.015 0.000 1.125 349 I CA 1.795 63.109 61.300 0.023 0.000 1.392 349 I CB 0.107 38.128 38.000 0.035 0.000 1.065 349 I HN 0.261 nan 8.210 nan 0.000 0.424 350 M N -0.087 119.515 119.600 0.004 0.000 2.229 350 M HA -0.086 4.396 4.480 0.004 0.000 0.264 350 M C 2.124 178.406 176.300 -0.030 0.000 1.063 350 M CA 1.477 56.761 55.300 -0.026 0.000 1.114 350 M CB -1.526 31.050 32.600 -0.041 0.000 1.387 350 M HN 0.340 nan 8.290 nan 0.000 0.420 351 G N -0.771 108.021 108.800 -0.013 0.000 2.848 351 G HA2 0.026 3.988 3.960 0.004 0.000 0.208 351 G HA3 0.026 3.988 3.960 0.004 0.000 0.208 351 G C 1.497 176.390 174.900 -0.010 0.000 1.152 351 G CA 0.097 45.191 45.100 -0.010 0.000 0.789 351 G HN 0.295 nan 8.290 nan 0.000 0.531 352 L N 1.007 122.225 121.223 -0.008 0.000 1.976 352 L HA -0.084 4.259 4.340 0.004 0.000 0.209 352 L C 3.096 179.955 176.870 -0.018 0.000 1.071 352 L CA 1.763 56.596 54.840 -0.011 0.000 0.746 352 L CB -0.747 41.311 42.059 -0.002 0.000 0.890 352 L HN 0.146 nan 8.230 nan 0.000 0.432 353 S N -0.042 115.644 115.700 -0.023 0.000 2.406 353 S HA -0.208 4.264 4.470 0.004 0.000 0.242 353 S C -0.497 174.086 174.600 -0.028 0.000 1.079 353 S CA 2.256 60.438 58.200 -0.029 0.000 1.133 353 S CB -1.734 61.435 63.200 -0.051 0.000 1.005 353 S HN 0.405 nan 8.310 nan 0.000 0.443 354 P HA -0.022 nan 4.420 nan 0.000 0.226 354 P C 1.103 178.388 177.300 -0.025 0.000 1.146 354 P CA 0.976 64.060 63.100 -0.027 0.000 0.773 354 P CB -0.183 31.501 31.700 -0.026 0.000 0.772 355 I N -1.411 119.144 120.570 -0.025 0.000 2.585 355 I HA -0.074 4.098 4.170 0.004 0.000 0.254 355 I C 2.441 178.542 176.117 -0.025 0.000 1.129 355 I CA 0.593 61.876 61.300 -0.028 0.000 1.455 355 I CB -0.196 37.783 38.000 -0.035 0.000 1.111 355 I HN -0.171 nan 8.210 nan 0.000 0.433 356 L N 0.243 121.455 121.223 -0.019 0.000 2.068 356 L HA 0.231 4.573 4.340 0.004 0.000 0.204 356 L C 0.995 177.862 176.870 -0.005 0.000 1.076 356 L CA 0.681 55.514 54.840 -0.010 0.000 0.753 356 L CB -0.807 41.254 42.059 0.003 0.000 0.910 356 L HN 0.385 nan 8.230 nan 0.000 0.439 357 G N -0.237 108.558 108.800 -0.008 0.000 2.539 357 G HA2 -0.170 3.792 3.960 0.004 0.000 0.686 357 G HA3 -0.170 3.792 3.960 0.004 0.000 0.686 357 G C 0.030 174.925 174.900 -0.007 0.000 1.258 357 G CA -0.073 45.022 45.100 -0.009 0.000 0.846 357 G HN 0.032 nan 8.290 nan 0.000 0.647 358 K N -0.503 119.890 120.400 -0.012 0.000 2.127 358 K HA -0.181 4.141 4.320 0.004 0.000 0.208 358 K C 1.774 178.368 176.600 -0.010 0.000 1.047 358 K CA 2.381 58.659 56.287 -0.015 0.000 0.927 358 K CB -0.088 32.402 32.500 -0.017 0.000 0.716 358 K HN 0.511 nan 8.250 nan 0.000 0.450 359 D N -0.004 120.395 120.400 -0.002 0.000 2.123 359 D HA -0.099 4.543 4.640 0.004 0.000 0.200 359 D C 1.576 177.882 176.300 0.011 0.000 0.976 359 D CA 0.835 54.835 54.000 0.000 0.000 0.831 359 D CB -0.274 40.528 40.800 0.004 0.000 0.974 359 D HN 0.239 nan 8.370 nan 0.000 0.469 360 N N 0.234 118.956 118.700 0.037 0.000 2.331 360 N HA -0.056 4.686 4.740 0.004 0.000 0.180 360 N C 1.623 177.187 175.510 0.090 0.000 1.019 360 N CA 0.704 53.813 53.050 0.097 0.000 0.881 360 N CB -0.043 38.510 38.487 0.110 0.000 0.972 360 N HN 0.134 nan 8.380 nan 0.000 0.435 361 T N 1.546 116.121 114.554 0.036 0.000 2.821 361 T HA 0.066 4.419 4.350 0.004 0.000 0.267 361 T C 2.079 176.782 174.700 0.006 0.000 1.046 361 T CA 0.555 62.666 62.100 0.018 0.000 1.139 361 T CB 0.044 68.903 68.868 -0.016 0.000 0.871 361 T HN 0.188 nan 8.240 nan 0.000 0.454 362 I N 0.515 121.079 120.570 -0.010 0.000 2.439 362 I HA -0.058 4.114 4.170 0.004 0.000 0.251 362 I C 2.610 178.697 176.117 -0.049 0.000 1.139 362 I CA 1.066 62.355 61.300 -0.019 0.000 1.438 362 I CB -0.251 37.736 38.000 -0.021 0.000 1.085 362 I HN 0.274 nan 8.210 nan 0.000 0.427 363 E N 0.211 120.351 120.200 -0.101 0.000 2.005 363 E HA -0.158 4.194 4.350 0.004 0.000 0.191 363 E C 2.080 178.484 176.600 -0.327 0.000 0.987 363 E CA 1.168 57.401 56.400 -0.279 0.000 0.814 363 E CB 0.055 29.483 29.700 -0.455 0.000 0.772 363 E HN 0.580 nan 8.360 nan 0.000 0.453 364 H N -0.599 118.482 119.070 0.017 0.000 2.506 364 H HA 0.137 4.695 4.556 0.004 0.000 0.289 364 H C 2.161 177.509 175.328 0.033 0.000 1.009 364 H CA 0.351 56.413 56.048 0.022 0.000 1.303 364 H CB 0.348 30.120 29.762 0.016 0.000 1.453 364 H HN 0.102 nan 8.280 nan 0.000 0.526 365 L N 0.808 122.116 121.223 0.141 0.000 2.552 365 L HA -0.040 4.302 4.340 0.004 0.000 0.227 365 L C 2.038 178.976 176.870 0.113 0.000 1.146 365 L CA 0.291 55.192 54.840 0.102 0.000 0.858 365 L CB 0.092 42.186 42.059 0.058 0.000 0.969 365 L HN 0.100 nan 8.230 nan 0.000 0.451 366 L N 0.236 121.528 121.223 0.115 0.000 2.316 366 L HA 0.133 4.475 4.340 0.004 0.000 0.207 366 L C -0.857 176.138 176.870 0.208 0.000 1.070 366 L CA 0.968 55.926 54.840 0.197 0.000 0.820 366 L CB -0.653 41.485 42.059 0.132 0.000 0.992 366 L HN 0.006 nan 8.230 nan 0.000 0.466 367 P HA -0.017 nan 4.420 nan 0.000 0.233 367 P C 1.673 179.006 177.300 0.054 0.000 1.167 367 P CA 1.050 64.187 63.100 0.062 0.000 0.770 367 P CB 0.147 31.867 31.700 0.033 0.000 0.837 368 L N -1.672 119.607 121.223 0.092 0.000 2.007 368 L HA -0.077 4.266 4.340 0.004 0.000 0.205 368 L C 2.370 179.293 176.870 0.087 0.000 1.073 368 L CA 1.280 56.169 54.840 0.082 0.000 0.744 368 L CB -1.153 40.966 42.059 0.100 0.000 0.898 368 L HN -0.057 nan 8.230 nan 0.000 0.435 369 F N 1.071 121.024 119.950 0.004 0.000 2.154 369 F HA -0.230 4.299 4.527 0.004 0.000 0.301 369 F C 1.995 177.793 175.800 -0.003 0.000 1.087 369 F CA 1.547 59.546 58.000 -0.002 0.000 1.274 369 F CB -0.349 38.650 39.000 -0.002 0.000 1.009 369 F HN -0.092 nan 8.300 nan 0.000 0.485 370 L N -0.083 120.889 121.223 -0.418 0.000 2.465 370 L HA -0.020 4.322 4.340 0.004 0.000 0.224 370 L C 2.564 179.270 176.870 -0.274 0.000 1.145 370 L CA 0.678 55.234 54.840 -0.473 0.000 0.834 370 L CB -0.956 40.976 42.059 -0.211 0.000 0.944 370 L HN 0.337 nan 8.230 nan 0.000 0.451 371 A N -0.640 122.078 122.820 -0.171 0.000 1.924 371 A HA -0.072 4.251 4.320 0.004 0.000 0.211 371 A C 2.219 179.741 177.584 -0.104 0.000 1.198 371 A CA 0.437 52.411 52.037 -0.105 0.000 0.657 371 A CB -0.079 18.890 19.000 -0.052 0.000 0.852 371 A HN 0.341 nan 8.150 nan 0.000 0.454 372 Q N -0.863 118.876 119.800 -0.102 0.000 2.083 372 Q HA -0.039 4.303 4.340 0.004 0.000 0.198 372 Q C 1.729 177.667 176.000 -0.103 0.000 0.969 372 Q CA 1.160 56.920 55.803 -0.072 0.000 0.838 372 Q CB -0.231 28.496 28.738 -0.018 0.000 0.900 372 Q HN 0.499 nan 8.270 nan 0.000 0.436 373 L N 0.666 121.768 121.223 -0.201 0.000 2.642 373 L HA -0.096 4.246 4.340 0.004 0.000 0.236 373 L C -0.096 176.683 176.870 -0.152 0.000 1.169 373 L CA 1.480 56.194 54.840 -0.210 0.000 0.851 373 L CB 0.181 41.961 42.059 -0.465 0.000 0.968 373 L HN -0.086 nan 8.230 nan 0.000 0.453 374 K N -0.134 120.187 120.400 -0.130 0.000 3.098 374 K HA 0.223 4.546 4.320 0.004 0.000 0.170 374 K C -1.166 175.394 176.600 -0.066 0.000 1.106 374 K CA -0.223 56.010 56.287 -0.090 0.000 0.864 374 K CB 0.649 33.090 32.500 -0.099 0.000 1.047 374 K HN -0.002 nan 8.250 nan 0.000 0.609 375 D N -0.141 120.228 120.400 -0.053 0.000 2.419 375 D HA 0.159 4.801 4.640 0.004 0.000 0.234 375 D C 1.001 177.281 176.300 -0.033 0.000 1.014 375 D CA -0.520 53.455 54.000 -0.042 0.000 0.919 375 D CB 1.465 42.240 40.800 -0.042 0.000 1.366 375 D HN -0.023 nan 8.370 nan 0.000 0.490 376 E N 0.746 120.928 120.200 -0.030 0.000 2.171 376 E HA -0.124 4.228 4.350 0.004 0.000 0.197 376 E C 0.417 177.002 176.600 -0.025 0.000 0.997 376 E CA 0.624 57.009 56.400 -0.026 0.000 0.810 376 E CB -0.389 29.295 29.700 -0.027 0.000 0.738 376 E HN 0.281 nan 8.360 nan 0.000 0.467 377 C N 2.255 121.538 119.300 -0.029 0.000 2.225 377 C HA 0.262 4.725 4.460 0.004 0.000 0.328 377 C C -1.356 173.621 174.990 -0.021 0.000 1.187 377 C CA -2.171 56.831 59.018 -0.027 0.000 1.665 377 C CB 0.176 27.896 27.740 -0.034 0.000 2.253 377 C HN 0.053 nan 8.230 nan 0.000 0.497 378 P HA -0.181 nan 4.420 nan 0.000 0.216 378 P C 1.291 178.582 177.300 -0.015 0.000 1.150 378 P CA 1.377 64.467 63.100 -0.017 0.000 0.843 378 P CB 0.028 31.716 31.700 -0.020 0.000 0.787 379 E N -0.607 119.587 120.200 -0.009 0.000 2.401 379 E HA -0.110 4.242 4.350 0.004 0.000 0.199 379 E C 1.379 177.978 176.600 -0.001 0.000 1.023 379 E CA 0.567 56.968 56.400 0.002 0.000 0.859 379 E CB -0.067 29.647 29.700 0.024 0.000 0.780 379 E HN 0.046 nan 8.360 nan 0.000 0.523 380 V N 0.997 120.906 119.914 -0.010 0.000 2.341 380 V HA -0.172 3.951 4.120 0.004 0.000 0.240 380 V C 2.355 178.439 176.094 -0.017 0.000 1.035 380 V CA 1.829 64.121 62.300 -0.013 0.000 1.033 380 V CB -0.475 31.337 31.823 -0.019 0.000 0.678 380 V HN 0.309 nan 8.190 nan 0.000 0.464 381 R N 0.774 121.261 120.500 -0.021 0.000 2.148 381 R HA -0.072 4.270 4.340 0.004 0.000 0.227 381 R C 2.124 178.409 176.300 -0.024 0.000 1.103 381 R CA 1.387 57.475 56.100 -0.020 0.000 0.983 381 R CB -0.736 29.548 30.300 -0.026 0.000 0.874 381 R HN 0.412 nan 8.270 nan 0.000 0.451 382 L N 1.716 122.917 121.223 -0.036 0.000 2.093 382 L HA -0.032 4.311 4.340 0.004 0.000 0.208 382 L C 1.334 178.124 176.870 -0.133 0.000 1.085 382 L CA 1.678 56.476 54.840 -0.070 0.000 0.755 382 L CB -0.546 41.488 42.059 -0.041 0.000 0.904 382 L HN 0.125 nan 8.230 nan 0.000 0.435 383 N N -0.120 118.531 118.700 -0.081 0.000 2.166 383 N HA -0.160 4.582 4.740 0.004 0.000 0.186 383 N C 1.799 177.259 175.510 -0.084 0.000 1.019 383 N CA 1.668 54.669 53.050 -0.081 0.000 0.856 383 N CB -0.203 38.264 38.487 -0.032 0.000 0.993 383 N HN 0.341 nan 8.380 nan 0.000 0.426 384 I N 1.351 121.897 120.570 -0.039 0.000 2.133 384 I HA -0.183 3.989 4.170 0.004 0.000 0.238 384 I C 2.001 178.107 176.117 -0.019 0.000 1.074 384 I CA 0.854 62.164 61.300 0.016 0.000 1.342 384 I CB -0.954 37.115 38.000 0.114 0.000 1.053 384 I HN 0.027 nan 8.210 nan 0.000 0.404 385 I N 1.024 121.572 120.570 -0.038 0.000 2.300 385 I HA -0.284 3.888 4.170 0.004 0.000 0.252 385 I C 2.597 178.611 176.117 -0.172 0.000 1.119 385 I CA 1.419 62.682 61.300 -0.062 0.000 1.384 385 I CB -1.652 36.309 38.000 -0.065 0.000 1.062 385 I HN 0.196 nan 8.210 nan 0.000 0.426 386 S N 1.107 116.610 115.700 -0.328 0.000 2.368 386 S HA -0.036 4.436 4.470 0.004 0.000 0.224 386 S C 0.952 175.467 174.600 -0.142 0.000 1.029 386 S CA 0.892 58.806 58.200 -0.476 0.000 0.988 386 S CB -0.227 62.604 63.200 -0.616 0.000 0.838 386 S HN 0.516 nan 8.310 nan 0.000 0.462 387 N N 1.270 119.915 118.700 -0.091 0.000 3.044 387 N HA 0.347 5.090 4.740 0.004 0.000 0.254 387 N C -0.741 174.741 175.510 -0.047 0.000 1.253 387 N CA 0.044 53.072 53.050 -0.037 0.000 0.944 387 N CB 1.016 39.492 38.487 -0.019 0.000 1.217 387 N HN 0.240 nan 8.380 nan 0.000 0.498 388 L N 0.017 121.210 121.223 -0.051 0.000 3.014 388 L HA 0.207 4.549 4.340 0.004 0.000 0.263 388 L C 0.956 177.783 176.870 -0.072 0.000 1.207 388 L CA -0.035 54.758 54.840 -0.079 0.000 1.017 388 L CB 0.514 42.520 42.059 -0.088 0.000 1.360 388 L HN 0.098 nan 8.230 nan 0.000 0.560 389 D N 0.657 121.030 120.400 -0.045 0.000 2.091 389 D HA -0.155 4.487 4.640 0.004 0.000 0.199 389 D C 1.774 178.047 176.300 -0.045 0.000 0.980 389 D CA 1.602 55.580 54.000 -0.037 0.000 0.831 389 D CB 0.003 40.795 40.800 -0.014 0.000 0.987 389 D HN 0.521 nan 8.370 nan 0.000 0.460 390 C N 0.803 120.077 119.300 -0.042 0.000 2.511 390 C HA 0.259 4.722 4.460 0.004 0.000 0.300 390 C C 1.126 176.078 174.990 -0.063 0.000 1.393 390 C CA -0.648 58.343 59.018 -0.044 0.000 1.637 390 C CB -1.528 26.193 27.740 -0.032 0.000 1.637 390 C HN -0.081 nan 8.230 nan 0.000 0.595 391 V N 1.450 121.313 119.914 -0.084 0.000 2.572 391 V HA 0.326 4.449 4.120 0.004 0.000 0.274 391 V C 0.550 176.578 176.094 -0.110 0.000 1.075 391 V CA 0.260 62.491 62.300 -0.115 0.000 1.237 391 V CB -1.148 30.569 31.823 -0.176 0.000 1.517 391 V HN 0.714 nan 8.190 nan 0.000 0.616 392 N N -0.028 118.623 118.700 -0.082 0.000 2.143 392 N HA 0.041 4.783 4.740 0.004 0.000 0.294 392 N C 1.351 176.827 175.510 -0.056 0.000 0.929 392 N CA 0.131 53.136 53.050 -0.074 0.000 0.723 392 N CB 0.706 39.148 38.487 -0.075 0.000 1.981 392 N HN 0.400 nan 8.380 nan 0.000 0.854 393 E N 0.447 120.618 120.200 -0.048 0.000 2.347 393 E HA -0.039 4.313 4.350 0.004 0.000 0.196 393 E C 1.367 177.945 176.600 -0.037 0.000 1.008 393 E CA 0.736 57.113 56.400 -0.038 0.000 0.852 393 E CB 0.579 30.260 29.700 -0.033 0.000 0.783 393 E HN 0.181 nan 8.360 nan 0.000 0.505 394 V N 1.269 121.156 119.914 -0.044 0.000 2.423 394 V HA 0.018 4.140 4.120 0.004 0.000 0.233 394 V C 1.370 177.438 176.094 -0.043 0.000 1.067 394 V CA 0.731 63.007 62.300 -0.041 0.000 1.073 394 V CB -0.290 31.505 31.823 -0.045 0.000 0.715 394 V HN 0.180 nan 8.190 nan 0.000 0.485 395 I N -0.761 119.776 120.570 -0.056 0.000 3.514 395 I HA 0.797 4.969 4.170 0.004 0.000 0.300 395 I C 0.717 176.802 176.117 -0.053 0.000 1.194 395 I CA -0.511 60.757 61.300 -0.054 0.000 0.968 395 I CB 0.631 38.591 38.000 -0.067 0.000 1.418 395 I HN 0.185 nan 8.210 nan 0.000 0.614 396 G N 0.395 109.168 108.800 -0.044 0.000 2.634 396 G HA2 0.292 4.254 3.960 0.004 0.000 0.255 396 G HA3 0.292 4.254 3.960 0.004 0.000 0.255 396 G C 0.084 174.957 174.900 -0.046 0.000 1.205 396 G CA -0.427 44.651 45.100 -0.036 0.000 0.884 396 G HN 0.692 nan 8.290 nan 0.000 0.549 397 I N -0.086 120.461 120.570 -0.039 0.000 3.578 397 I HA 0.106 4.278 4.170 0.004 0.000 0.295 397 I C 2.501 178.609 176.117 -0.016 0.000 1.280 397 I CA 0.199 61.467 61.300 -0.052 0.000 1.347 397 I CB -0.081 37.883 38.000 -0.060 0.000 1.051 397 I HN 0.588 nan 8.210 nan 0.000 0.460 398 R N -0.533 119.972 120.500 0.008 0.000 2.167 398 R HA 0.119 4.462 4.340 0.004 0.000 0.201 398 R C 1.609 177.937 176.300 0.047 0.000 1.024 398 R CA 0.362 56.486 56.100 0.040 0.000 1.053 398 R CB -0.844 29.477 30.300 0.035 0.000 0.987 398 R HN 0.330 nan 8.270 nan 0.000 0.493 399 Q N 1.357 121.173 119.800 0.025 0.000 2.133 399 Q HA -0.169 4.174 4.340 0.004 0.000 0.208 399 Q C 2.175 178.222 176.000 0.079 0.000 0.991 399 Q CA 2.197 58.021 55.803 0.035 0.000 0.867 399 Q CB -0.265 28.474 28.738 0.002 0.000 0.911 399 Q HN 0.302 nan 8.270 nan 0.000 0.417 400 L N -0.753 120.501 121.223 0.053 0.000 2.162 400 L HA 0.031 4.373 4.340 0.004 0.000 0.205 400 L C 2.267 179.253 176.870 0.194 0.000 1.086 400 L CA 1.665 56.577 54.840 0.120 0.000 0.778 400 L CB -0.642 41.383 42.059 -0.057 0.000 0.928 400 L HN 0.029 nan 8.230 nan 0.000 0.446 401 S N -0.411 115.382 115.700 0.156 0.000 2.399 401 S HA -0.397 4.076 4.470 0.004 0.000 0.235 401 S C 2.109 176.829 174.600 0.200 0.000 1.063 401 S CA 2.279 60.633 58.200 0.257 0.000 1.070 401 S CB -0.388 62.944 63.200 0.220 0.000 0.904 401 S HN 0.751 nan 8.310 nan 0.000 0.456 402 Q N -0.354 119.523 119.800 0.129 0.000 2.079 402 Q HA 0.023 4.366 4.340 0.004 0.000 0.200 402 Q C 1.922 177.954 176.000 0.053 0.000 0.974 402 Q CA 1.765 57.610 55.803 0.070 0.000 0.840 402 Q CB -0.010 28.762 28.738 0.056 0.000 0.898 402 Q HN 0.582 nan 8.270 nan 0.000 0.430 403 S N -0.265 115.484 115.700 0.082 0.000 2.540 403 S HA 0.063 4.536 4.470 0.004 0.000 0.218 403 S C 1.097 175.722 174.600 0.041 0.000 0.977 403 S CA -0.182 58.034 58.200 0.025 0.000 0.918 403 S CB 0.327 63.504 63.200 -0.038 0.000 0.806 403 S HN 0.235 nan 8.310 nan 0.000 0.496 404 L N 1.298 122.599 121.223 0.130 0.000 2.552 404 L HA 0.304 4.646 4.340 0.004 0.000 0.227 404 L C 1.486 178.420 176.870 0.107 0.000 1.146 404 L CA 0.766 55.705 54.840 0.165 0.000 0.858 404 L CB -0.281 41.946 42.059 0.280 0.000 0.969 404 L HN 0.249 nan 8.230 nan 0.000 0.451 405 L N 0.364 121.606 121.223 0.031 0.000 2.130 405 L HA 0.137 4.480 4.340 0.004 0.000 0.200 405 L C -0.614 176.251 176.870 -0.009 0.000 1.075 405 L CA 1.186 56.006 54.840 -0.033 0.000 0.768 405 L CB -1.314 40.677 42.059 -0.113 0.000 0.933 405 L HN 0.125 nan 8.230 nan 0.000 0.451 406 P HA -0.161 nan 4.420 nan 0.000 0.218 406 P C 1.334 178.639 177.300 0.008 0.000 1.148 406 P CA 1.950 65.046 63.100 -0.008 0.000 0.822 406 P CB -0.123 31.565 31.700 -0.020 0.000 0.784 407 A N -0.033 122.793 122.820 0.010 0.000 1.898 407 A HA -0.130 4.192 4.320 0.004 0.000 0.216 407 A C 2.378 179.995 177.584 0.055 0.000 1.181 407 A CA 1.211 53.260 52.037 0.019 0.000 0.620 407 A CB -1.468 17.537 19.000 0.009 0.000 0.819 407 A HN 0.114 nan 8.150 nan 0.000 0.442 408 I N -0.529 120.090 120.570 0.082 0.000 2.252 408 I HA -0.186 3.987 4.170 0.004 0.000 0.245 408 I C 2.266 178.473 176.117 0.150 0.000 1.102 408 I CA 0.998 62.380 61.300 0.137 0.000 1.385 408 I CB -0.196 37.906 38.000 0.170 0.000 1.064 408 I HN 0.141 nan 8.210 nan 0.000 0.414 409 V N 0.462 120.431 119.914 0.093 0.000 2.594 409 V HA -0.270 3.853 4.120 0.004 0.000 0.253 409 V C 2.270 178.413 176.094 0.082 0.000 1.069 409 V CA 1.780 64.127 62.300 0.079 0.000 1.082 409 V CB -0.538 31.300 31.823 0.024 0.000 0.680 409 V HN 0.443 nan 8.190 nan 0.000 0.469 410 E N -0.702 119.536 120.200 0.064 0.000 2.385 410 E HA 0.024 4.376 4.350 0.004 0.000 0.194 410 E C 2.024 178.660 176.600 0.060 0.000 1.013 410 E CA 0.273 56.703 56.400 0.050 0.000 0.866 410 E CB 0.194 29.909 29.700 0.025 0.000 0.832 410 E HN 0.541 nan 8.360 nan 0.000 0.500 411 L N -0.523 120.747 121.223 0.078 0.000 2.408 411 L HA 0.197 4.540 4.340 0.004 0.000 0.215 411 L C 1.948 178.873 176.870 0.092 0.000 1.081 411 L CA 0.444 55.323 54.840 0.066 0.000 0.840 411 L CB 0.220 42.310 42.059 0.051 0.000 1.002 411 L HN 0.045 nan 8.230 nan 0.000 0.468 412 A N 0.303 123.232 122.820 0.182 0.000 2.302 412 A HA -0.009 4.314 4.320 0.004 0.000 0.219 412 A C 1.466 179.241 177.584 0.317 0.000 1.243 412 A CA 0.383 52.606 52.037 0.311 0.000 0.856 412 A CB -0.371 19.074 19.000 0.742 0.000 0.893 412 A HN 0.577 nan 8.150 nan 0.000 0.491 413 E N -1.192 119.115 120.200 0.178 0.000 2.641 413 E HA 0.075 4.428 4.350 0.004 0.000 0.224 413 E C -0.166 176.491 176.600 0.094 0.000 0.951 413 E CA -0.578 55.901 56.400 0.132 0.000 1.102 413 E CB -0.102 29.657 29.700 0.099 0.000 1.091 413 E HN 0.309 nan 8.360 nan 0.000 0.507 414 D N 1.120 121.569 120.400 0.082 0.000 2.478 414 D HA -0.056 4.586 4.640 0.004 0.000 0.234 414 D C 1.059 177.404 176.300 0.075 0.000 1.154 414 D CA 0.886 54.922 54.000 0.060 0.000 0.874 414 D CB 1.382 42.203 40.800 0.036 0.000 1.198 414 D HN 0.216 nan 8.370 nan 0.000 0.455 415 A N 4.850 127.711 122.820 0.068 0.000 1.841 415 A HA -0.187 4.135 4.320 0.004 0.000 0.216 415 A C 1.262 178.913 177.584 0.111 0.000 1.199 415 A CA 1.296 53.386 52.037 0.089 0.000 0.621 415 A CB -0.321 18.721 19.000 0.069 0.000 0.835 415 A HN 0.657 nan 8.150 nan 0.000 0.445 416 K N 1.616 122.052 120.400 0.060 0.000 2.382 416 K HA -0.003 4.319 4.320 0.004 0.000 0.286 416 K C 1.116 177.711 176.600 -0.008 0.000 1.062 416 K CA 0.026 56.324 56.287 0.020 0.000 1.000 416 K CB 0.141 32.600 32.500 -0.068 0.000 0.954 416 K HN 0.704 nan 8.250 nan 0.000 0.470 417 W N 5.280 126.602 121.300 0.036 0.000 2.341 417 W HA -0.223 4.439 4.660 0.003 0.000 0.283 417 W C 0.873 177.391 176.519 -0.001 0.000 1.215 417 W CA 0.661 58.020 57.345 0.023 0.000 1.211 417 W CB -0.395 29.092 29.460 0.045 0.000 1.131 417 W HN 0.654 nan 8.180 nan 0.000 0.552 418 R N 0.979 120.937 120.500 -0.903 0.000 2.115 418 R HA -0.073 4.269 4.340 0.004 0.000 0.226 418 R C 2.339 178.428 176.300 -0.353 0.000 1.100 418 R CA 1.592 57.151 56.100 -0.902 0.000 0.980 418 R CB -0.225 29.459 30.300 -1.027 0.000 0.875 418 R HN 0.091 nan 8.270 nan 0.000 0.445 419 V N 0.866 120.639 119.914 -0.235 0.000 2.307 419 V HA -0.230 3.892 4.120 0.004 0.000 0.245 419 V C 2.312 178.360 176.094 -0.077 0.000 1.045 419 V CA 1.694 63.925 62.300 -0.115 0.000 1.024 419 V CB -0.498 31.282 31.823 -0.072 0.000 0.651 419 V HN 0.352 nan 8.190 nan 0.000 0.449 420 R N -0.182 120.286 120.500 -0.054 0.000 2.096 420 R HA -0.223 4.120 4.340 0.004 0.000 0.240 420 R C 2.267 178.475 176.300 -0.154 0.000 1.139 420 R CA 1.907 57.966 56.100 -0.069 0.000 0.952 420 R CB -0.877 29.422 30.300 -0.002 0.000 0.854 420 R HN 0.405 nan 8.270 nan 0.000 0.436 421 L N 0.811 121.986 121.223 -0.081 0.000 2.265 421 L HA -0.069 4.273 4.340 0.004 0.000 0.215 421 L C 2.060 178.868 176.870 -0.104 0.000 1.117 421 L CA 1.642 56.435 54.840 -0.078 0.000 0.782 421 L CB -0.314 41.787 42.059 0.071 0.000 0.914 421 L HN 0.129 nan 8.230 nan 0.000 0.441 422 A N -0.915 121.861 122.820 -0.074 0.000 2.072 422 A HA 0.031 4.354 4.320 0.004 0.000 0.216 422 A C 2.050 179.695 177.584 0.101 0.000 1.156 422 A CA 1.081 53.131 52.037 0.021 0.000 0.701 422 A CB -0.439 18.585 19.000 0.041 0.000 0.816 422 A HN 0.396 nan 8.150 nan 0.000 0.458 423 I N 0.102 120.660 120.570 -0.019 0.000 2.339 423 I HA -0.127 4.045 4.170 0.004 0.000 0.245 423 I C 2.342 178.417 176.117 -0.069 0.000 1.096 423 I CA 1.033 62.340 61.300 0.012 0.000 1.408 423 I CB -1.095 36.900 38.000 -0.008 0.000 1.092 423 I HN 0.279 nan 8.210 nan 0.000 0.423 424 I N 0.933 121.268 120.570 -0.392 0.000 2.248 424 I HA -0.300 3.872 4.170 0.004 0.000 0.248 424 I C 2.257 178.279 176.117 -0.158 0.000 1.107 424 I CA 1.551 62.559 61.300 -0.486 0.000 1.373 424 I CB -0.510 37.036 38.000 -0.757 0.000 1.055 424 I HN 0.295 nan 8.210 nan 0.000 0.418 425 E N -0.325 119.796 120.200 -0.133 0.000 2.274 425 E HA -0.165 4.188 4.350 0.004 0.000 0.194 425 E C 1.180 177.680 176.600 -0.166 0.000 0.996 425 E CA 0.837 57.152 56.400 -0.141 0.000 0.840 425 E CB 0.105 29.695 29.700 -0.183 0.000 0.772 425 E HN 0.511 nan 8.360 nan 0.000 0.491 426 Y N -0.767 119.526 120.300 -0.011 0.000 2.485 426 Y HA 0.138 4.690 4.550 0.004 0.000 0.260 426 Y C 1.636 177.584 175.900 0.080 0.000 1.173 426 Y CA 0.019 58.137 58.100 0.030 0.000 1.252 426 Y CB 0.341 38.817 38.460 0.027 0.000 1.123 426 Y HN 0.015 nan 8.280 nan 0.000 0.524 427 M N 0.974 120.702 119.600 0.212 0.000 2.236 427 M HA -0.007 4.475 4.480 0.004 0.000 0.266 427 M C -0.803 175.624 176.300 0.211 0.000 1.070 427 M CA 1.231 56.690 55.300 0.265 0.000 1.137 427 M CB -0.816 31.966 32.600 0.304 0.000 1.378 427 M HN -0.111 nan 8.290 nan 0.000 0.426 428 P HA -0.156 nan 4.420 nan 0.000 0.218 428 P C 1.075 178.439 177.300 0.107 0.000 1.148 428 P CA 1.437 64.591 63.100 0.090 0.000 0.822 428 P CB -0.209 31.514 31.700 0.038 0.000 0.784 429 L N -1.459 119.842 121.223 0.129 0.000 2.591 429 L HA 0.125 4.468 4.340 0.004 0.000 0.228 429 L C 1.810 178.756 176.870 0.126 0.000 1.133 429 L CA 0.311 55.226 54.840 0.126 0.000 0.880 429 L CB -0.331 41.822 42.059 0.157 0.000 1.033 429 L HN -0.117 nan 8.230 nan 0.000 0.450 430 L N -1.433 119.892 121.223 0.169 0.000 3.122 430 L HA 0.335 4.677 4.340 0.004 0.000 0.274 430 L C 1.806 178.842 176.870 0.276 0.000 1.222 430 L CA -0.114 54.817 54.840 0.151 0.000 1.028 430 L CB 0.109 42.279 42.059 0.184 0.000 1.386 430 L HN 0.128 nan 8.230 nan 0.000 0.578 431 A N 0.669 123.641 122.820 0.252 0.000 1.832 431 A HA 0.143 4.465 4.320 0.004 0.000 0.214 431 A C 1.835 179.616 177.584 0.328 0.000 1.242 431 A CA 1.287 53.490 52.037 0.277 0.000 0.603 431 A CB -0.837 18.249 19.000 0.144 0.000 0.902 431 A HN 0.321 nan 8.150 nan 0.000 0.455 432 G N -1.330 107.603 108.800 0.222 0.000 3.591 432 G HA2 0.390 4.353 3.960 0.004 0.000 0.282 432 G HA3 0.390 4.353 3.960 0.004 0.000 0.282 432 G C 0.761 175.691 174.900 0.051 0.000 1.238 432 G CA 0.100 45.293 45.100 0.155 0.000 0.993 432 G HN 0.528 nan 8.290 nan 0.000 0.542 433 Q N -1.047 118.773 119.800 0.032 0.000 2.534 433 Q HA 0.281 4.623 4.340 0.004 0.000 0.252 433 Q C 2.012 177.924 176.000 -0.146 0.000 0.850 433 Q CA -0.109 55.664 55.803 -0.051 0.000 0.974 433 Q CB 0.354 29.063 28.738 -0.050 0.000 1.205 433 Q HN 0.405 nan 8.270 nan 0.000 0.593 434 L N -0.286 120.770 121.223 -0.278 0.000 2.416 434 L HA 0.254 4.597 4.340 0.004 0.000 0.216 434 L C 0.669 177.263 176.870 -0.460 0.000 1.098 434 L CA 0.543 55.008 54.840 -0.625 0.000 0.840 434 L CB 0.866 42.053 42.059 -1.454 0.000 0.981 434 L HN 0.193 nan 8.230 nan 0.000 0.462 435 G N -1.986 106.721 108.800 -0.156 0.000 2.368 435 G HA2 0.090 4.053 3.960 0.004 0.000 0.303 435 G HA3 0.090 4.053 3.960 0.004 0.000 0.303 435 G C -0.485 174.543 174.900 0.213 0.000 1.590 435 G CA -0.163 44.977 45.100 0.066 0.000 0.938 435 G HN -0.378 nan 8.290 nan 0.000 0.675 436 V N -0.033 120.000 119.914 0.198 0.000 2.649 436 V HA 0.149 4.272 4.120 0.004 0.000 0.248 436 V C 1.919 178.145 176.094 0.220 0.000 1.054 436 V CA 2.591 64.986 62.300 0.159 0.000 1.073 436 V CB -0.102 31.828 31.823 0.178 0.000 0.699 436 V HN 0.823 nan 8.190 nan 0.000 0.463 437 E N -1.520 118.821 120.200 0.235 0.000 2.465 437 E HA -0.030 4.323 4.350 0.004 0.000 0.195 437 E C 1.690 178.404 176.600 0.191 0.000 1.028 437 E CA -0.124 56.419 56.400 0.238 0.000 0.899 437 E CB -0.212 29.590 29.700 0.171 0.000 1.032 437 E HN 0.552 nan 8.360 nan 0.000 0.468 438 F N 1.459 121.397 119.950 -0.021 0.000 2.146 438 F HA 0.050 4.580 4.527 0.004 0.000 0.298 438 F C 0.606 176.247 175.800 -0.265 0.000 1.096 438 F CA 0.700 58.565 58.000 -0.225 0.000 1.275 438 F CB 0.101 38.828 39.000 -0.457 0.000 1.008 438 F HN -0.099 nan 8.300 nan 0.000 0.480 439 F N 2.404 122.459 119.950 0.175 0.000 2.640 439 F HA 0.173 4.703 4.527 0.004 0.000 0.354 439 F C 0.669 176.567 175.800 0.164 0.000 1.213 439 F CA -1.214 56.871 58.000 0.142 0.000 1.314 439 F CB -1.190 37.986 39.000 0.292 0.000 1.679 439 F HN -0.006 nan 8.300 nan 0.000 0.622 440 D N -0.145 120.335 120.400 0.132 0.000 2.376 440 D HA -0.029 4.613 4.640 0.004 0.000 0.268 440 D C 0.553 176.870 176.300 0.028 0.000 1.252 440 D CA -0.373 53.677 54.000 0.084 0.000 1.041 440 D CB 0.417 41.226 40.800 0.015 0.000 1.109 440 D HN 0.287 nan 8.370 nan 0.000 0.552 441 E N -1.548 118.640 120.200 -0.020 0.000 2.428 441 E HA -0.063 4.289 4.350 0.004 0.000 0.199 441 E C 0.774 177.336 176.600 -0.063 0.000 1.172 441 E CA 0.478 56.846 56.400 -0.054 0.000 0.941 441 E CB -0.058 29.604 29.700 -0.063 0.000 1.001 441 E HN 0.281 nan 8.360 nan 0.000 0.501 442 K N -0.345 120.018 120.400 -0.062 0.000 2.403 442 K HA 0.132 4.454 4.320 0.004 0.000 0.199 442 K C 0.980 177.520 176.600 -0.099 0.000 1.199 442 K CA 0.200 56.436 56.287 -0.085 0.000 0.924 442 K CB 0.211 32.655 32.500 -0.095 0.000 1.137 442 K HN 0.139 nan 8.250 nan 0.000 0.510 443 L N 1.054 122.233 121.223 -0.072 0.000 2.640 443 L HA 0.397 4.740 4.340 0.004 0.000 0.230 443 L C 0.759 177.657 176.870 0.046 0.000 1.123 443 L CA 0.515 55.334 54.840 -0.035 0.000 0.900 443 L CB -0.039 41.979 42.059 -0.067 0.000 1.146 443 L HN 0.199 nan 8.230 nan 0.000 0.484 444 N N -1.988 116.715 118.700 0.004 0.000 2.482 444 N HA -0.072 4.670 4.740 0.004 0.000 0.179 444 N C 1.938 177.362 175.510 -0.143 0.000 1.039 444 N CA 0.898 53.930 53.050 -0.031 0.000 0.884 444 N CB 0.346 38.812 38.487 -0.035 0.000 1.113 444 N HN 0.297 nan 8.380 nan 0.000 0.440 445 S N 0.319 115.927 115.700 -0.154 0.000 2.371 445 S HA -0.095 4.378 4.470 0.004 0.000 0.224 445 S C 1.812 176.246 174.600 -0.277 0.000 1.029 445 S CA 0.534 58.627 58.200 -0.179 0.000 0.978 445 S CB -0.628 62.490 63.200 -0.136 0.000 0.833 445 S HN 0.243 nan 8.310 nan 0.000 0.466 446 L N 0.934 121.959 121.223 -0.330 0.000 2.551 446 L HA 0.103 4.446 4.340 0.004 0.000 0.230 446 L C 1.964 178.156 176.870 -1.131 0.000 1.163 446 L CA 0.916 55.431 54.840 -0.543 0.000 0.826 446 L CB -0.472 41.355 42.059 -0.387 0.000 0.943 446 L HN 0.655 nan 8.230 nan 0.000 0.452 447 C N -1.108 117.720 119.300 -0.787 0.000 2.884 447 C HA 0.353 4.816 4.460 0.004 0.000 0.287 447 C C 1.637 176.440 174.990 -0.312 0.000 1.310 447 C CA -0.319 58.260 59.018 -0.731 0.000 1.725 447 C CB -0.659 26.913 27.740 -0.280 0.000 2.060 447 C HN 0.649 nan 8.230 nan 0.000 0.618 448 M N -0.645 118.764 119.600 -0.318 0.000 2.260 448 M HA 0.316 4.799 4.480 0.004 0.000 0.326 448 M C 1.713 177.930 176.300 -0.137 0.000 0.930 448 M CA 0.439 55.647 55.300 -0.154 0.000 1.051 448 M CB 0.312 32.837 32.600 -0.125 0.000 1.748 448 M HN 0.283 nan 8.290 nan 0.000 0.606 449 A N -0.541 122.145 122.820 -0.223 0.000 2.235 449 A HA -0.029 4.293 4.320 0.004 0.000 0.208 449 A C 1.187 178.789 177.584 0.029 0.000 1.172 449 A CA 0.567 52.527 52.037 -0.128 0.000 0.786 449 A CB -0.506 18.402 19.000 -0.152 0.000 0.804 449 A HN 0.662 nan 8.150 nan 0.000 0.479 450 W N -0.855 120.417 121.300 -0.047 0.000 2.683 450 W HA 0.240 4.902 4.660 0.003 0.000 0.267 450 W C 1.656 178.135 176.519 -0.067 0.000 1.243 450 W CA -0.204 57.113 57.345 -0.046 0.000 1.380 450 W CB -0.894 28.555 29.460 -0.017 0.000 1.063 450 W HN 0.232 nan 8.180 nan 0.000 0.599 451 L N -0.106 121.207 121.223 0.149 0.000 2.131 451 L HA -0.121 4.221 4.340 0.004 0.000 0.210 451 L C 1.722 178.578 176.870 -0.023 0.000 1.092 451 L CA 0.956 55.825 54.840 0.048 0.000 0.759 451 L CB -0.487 41.581 42.059 0.016 0.000 0.903 451 L HN -0.258 nan 8.230 nan 0.000 0.435 452 V N -1.024 118.847 119.914 -0.071 0.000 3.121 452 V HA 0.107 4.229 4.120 0.004 0.000 0.344 452 V C 0.421 176.447 176.094 -0.112 0.000 1.390 452 V CA -0.283 61.904 62.300 -0.188 0.000 1.177 452 V CB -0.062 31.505 31.823 -0.427 0.000 1.163 452 V HN 0.213 nan 8.190 nan 0.000 0.484 453 D N 0.682 121.057 120.400 -0.041 0.000 2.455 453 D HA -0.033 4.609 4.640 0.004 0.000 0.241 453 D C 0.995 177.277 176.300 -0.031 0.000 1.138 453 D CA 0.064 54.025 54.000 -0.065 0.000 0.877 453 D CB 0.660 41.461 40.800 0.001 0.000 1.187 453 D HN 0.710 nan 8.370 nan 0.000 0.451 454 H N 1.077 120.166 119.070 0.031 0.000 2.612 454 H HA 0.241 4.800 4.556 0.004 0.000 0.285 454 H C -0.401 174.925 175.328 -0.003 0.000 1.066 454 H CA -0.497 55.563 56.048 0.019 0.000 1.180 454 H CB 0.069 29.849 29.762 0.029 0.000 1.312 454 H HN -0.085 nan 8.280 nan 0.000 0.606 455 V N 1.687 121.689 119.914 0.146 0.000 2.525 455 V HA -0.032 4.090 4.120 0.004 0.000 0.299 455 V C 0.402 176.499 176.094 0.005 0.000 1.034 455 V CA -0.874 61.441 62.300 0.026 0.000 0.863 455 V CB 1.312 33.105 31.823 -0.049 0.000 0.999 455 V HN 0.309 nan 8.190 nan 0.000 0.423 456 Y N 4.686 124.918 120.300 -0.113 0.000 2.128 456 Y HA -0.284 4.268 4.550 0.003 0.000 0.284 456 Y C 2.261 178.117 175.900 -0.073 0.000 1.154 456 Y CA 2.569 60.618 58.100 -0.084 0.000 1.149 456 Y CB 0.142 38.548 38.460 -0.090 0.000 0.976 456 Y HN 0.680 nan 8.280 nan 0.000 0.505 457 A N -0.164 122.625 122.820 -0.052 0.000 2.019 457 A HA -0.159 4.164 4.320 0.004 0.000 0.219 457 A C 2.087 179.633 177.584 -0.064 0.000 1.164 457 A CA 1.542 53.547 52.037 -0.053 0.000 0.644 457 A CB -0.810 18.216 19.000 0.043 0.000 0.805 457 A HN 0.611 nan 8.150 nan 0.000 0.449 458 I N -1.636 118.909 120.570 -0.041 0.000 3.891 458 I HA 0.192 4.365 4.170 0.004 0.000 0.331 458 I C 1.560 177.627 176.117 -0.082 0.000 1.406 458 I CA 0.284 61.560 61.300 -0.039 0.000 1.139 458 I CB -0.241 37.788 38.000 0.048 0.000 1.056 458 I HN 0.436 nan 8.210 nan 0.000 0.399 459 R N -0.160 120.249 120.500 -0.153 0.000 2.320 459 R HA 0.058 4.400 4.340 0.004 0.000 0.193 459 R C 1.832 177.985 176.300 -0.246 0.000 0.885 459 R CA -0.033 55.978 56.100 -0.148 0.000 1.085 459 R CB 0.105 30.325 30.300 -0.134 0.000 1.253 459 R HN 0.142 nan 8.270 nan 0.000 0.636 460 E N 0.658 120.564 120.200 -0.489 0.000 2.216 460 E HA -0.035 4.317 4.350 0.004 0.000 0.192 460 E C 1.411 177.865 176.600 -0.243 0.000 0.988 460 E CA 1.057 57.155 56.400 -0.504 0.000 0.834 460 E CB 0.338 29.486 29.700 -0.921 0.000 0.772 460 E HN 0.436 nan 8.360 nan 0.000 0.479 461 A N 1.040 123.748 122.820 -0.186 0.000 1.929 461 A HA 0.048 4.371 4.320 0.004 0.000 0.216 461 A C 2.375 179.924 177.584 -0.058 0.000 1.176 461 A CA 1.398 53.372 52.037 -0.104 0.000 0.628 461 A CB -0.467 18.476 19.000 -0.096 0.000 0.816 461 A HN 0.282 nan 8.150 nan 0.000 0.444 462 A N -0.522 122.275 122.820 -0.039 0.000 2.024 462 A HA -0.073 4.249 4.320 0.004 0.000 0.220 462 A C 2.217 179.846 177.584 0.074 0.000 1.164 462 A CA 2.329 54.413 52.037 0.078 0.000 0.643 462 A CB -0.960 18.138 19.000 0.163 0.000 0.806 462 A HN 0.482 nan 8.150 nan 0.000 0.451 463 T N -1.198 113.361 114.554 0.008 0.000 2.755 463 T HA -0.047 4.305 4.350 0.004 0.000 0.251 463 T C 2.089 176.795 174.700 0.009 0.000 1.044 463 T CA 1.207 63.315 62.100 0.013 0.000 1.154 463 T CB -0.559 68.305 68.868 -0.007 0.000 0.866 463 T HN 0.348 nan 8.240 nan 0.000 0.416 464 S N 1.520 117.209 115.700 -0.019 0.000 2.462 464 S HA -0.142 4.330 4.470 0.004 0.000 0.243 464 S C 1.980 176.582 174.600 0.003 0.000 1.003 464 S CA 0.790 58.983 58.200 -0.012 0.000 0.970 464 S CB -0.553 62.629 63.200 -0.030 0.000 0.762 464 S HN 0.522 nan 8.310 nan 0.000 0.510 465 N N 0.528 119.237 118.700 0.015 0.000 2.368 465 N HA 0.003 4.745 4.740 0.004 0.000 0.178 465 N C 1.783 177.319 175.510 0.044 0.000 1.021 465 N CA 0.602 53.673 53.050 0.035 0.000 0.875 465 N CB -0.214 38.306 38.487 0.055 0.000 1.020 465 N HN 0.335 nan 8.380 nan 0.000 0.433 466 L N 1.830 123.086 121.223 0.055 0.000 2.313 466 L HA 0.077 4.419 4.340 0.004 0.000 0.214 466 L C 2.176 179.069 176.870 0.038 0.000 1.119 466 L CA 0.961 55.828 54.840 0.045 0.000 0.809 466 L CB -0.213 41.877 42.059 0.052 0.000 0.933 466 L HN 0.030 nan 8.230 nan 0.000 0.449 467 K N 0.288 120.710 120.400 0.037 0.000 1.963 467 K HA -0.189 4.133 4.320 0.004 0.000 0.216 467 K C 1.851 178.478 176.600 0.045 0.000 1.045 467 K CA 2.065 58.376 56.287 0.039 0.000 0.954 467 K CB -0.296 32.223 32.500 0.031 0.000 0.732 467 K HN 0.331 nan 8.250 nan 0.000 0.442 468 K N 1.296 121.720 120.400 0.040 0.000 2.442 468 K HA -0.089 4.233 4.320 0.004 0.000 0.198 468 K C 1.436 178.074 176.600 0.062 0.000 1.042 468 K CA 0.688 57.004 56.287 0.049 0.000 0.958 468 K CB -0.206 32.317 32.500 0.038 0.000 0.766 468 K HN 0.030 nan 8.250 nan 0.000 0.474 469 L N 2.182 123.431 121.223 0.044 0.000 3.084 469 L HA -0.031 4.311 4.340 0.004 0.000 0.266 469 L C -0.023 176.882 176.870 0.058 0.000 1.149 469 L CA 0.672 55.518 54.840 0.009 0.000 0.931 469 L CB -0.144 41.882 42.059 -0.055 0.000 1.211 469 L HN -0.028 nan 8.230 nan 0.000 0.428 470 V N 0.117 120.120 119.914 0.148 0.000 2.592 470 V HA 0.171 4.293 4.120 0.004 0.000 0.278 470 V C 1.029 177.272 176.094 0.247 0.000 1.087 470 V CA -0.440 62.012 62.300 0.254 0.000 1.282 470 V CB 0.163 32.102 31.823 0.193 0.000 1.543 470 V HN 0.349 nan 8.190 nan 0.000 0.606 471 E N 1.397 121.778 120.200 0.301 0.000 1.997 471 E HA -0.066 4.286 4.350 0.004 0.000 0.196 471 E C 0.951 177.553 176.600 0.003 0.000 0.990 471 E CA 0.976 57.457 56.400 0.135 0.000 0.845 471 E CB 0.098 29.875 29.700 0.129 0.000 0.795 471 E HN 0.443 nan 8.360 nan 0.000 0.479 472 K N 0.288 120.530 120.400 -0.263 0.000 2.570 472 K HA 0.219 4.541 4.320 0.004 0.000 0.210 472 K C -0.579 175.593 176.600 -0.713 0.000 1.048 472 K CA -0.212 55.776 56.287 -0.498 0.000 1.167 472 K CB 0.061 32.217 32.500 -0.574 0.000 0.892 472 K HN 0.024 nan 8.250 nan 0.000 0.480 473 F N -0.020 119.919 119.950 -0.018 0.000 2.564 473 F HA 0.263 4.793 4.527 0.004 0.000 0.368 473 F C 1.349 177.210 175.800 0.103 0.000 1.127 473 F CA -1.169 56.852 58.000 0.036 0.000 1.170 473 F CB 0.881 39.884 39.000 0.006 0.000 1.397 473 F HN 0.020 nan 8.300 nan 0.000 0.493 474 G N 2.642 111.554 108.800 0.187 0.000 2.248 474 G HA2 -0.235 3.727 3.960 0.004 0.000 0.168 474 G HA3 -0.235 3.727 3.960 0.004 0.000 0.168 474 G C 1.242 176.242 174.900 0.167 0.000 1.581 474 G CA 1.164 46.349 45.100 0.142 0.000 0.954 474 G HN 0.658 nan 8.290 nan 0.000 0.385 475 K N -0.556 119.923 120.400 0.132 0.000 2.355 475 K HA 0.339 4.661 4.320 0.004 0.000 0.198 475 K C 1.589 178.265 176.600 0.128 0.000 1.039 475 K CA 0.549 56.903 56.287 0.113 0.000 1.075 475 K CB 0.706 33.240 32.500 0.057 0.000 0.870 475 K HN 0.271 nan 8.250 nan 0.000 0.540 476 E N -0.335 119.962 120.200 0.161 0.000 2.427 476 E HA -0.085 4.267 4.350 0.004 0.000 0.196 476 E C 0.430 177.161 176.600 0.218 0.000 1.028 476 E CA 0.565 57.059 56.400 0.158 0.000 0.864 476 E CB 0.051 29.839 29.700 0.146 0.000 0.813 476 E HN 0.580 nan 8.360 nan 0.000 0.514 477 W N 0.239 121.588 121.300 0.082 0.000 2.873 477 W HA 0.323 4.986 4.660 0.004 0.000 0.282 477 W C 1.936 178.450 176.519 -0.008 0.000 1.118 477 W CA 0.727 58.105 57.345 0.055 0.000 1.480 477 W CB 0.202 29.744 29.460 0.137 0.000 0.954 477 W HN -0.025 nan 8.180 nan 0.000 0.591 478 A N 0.255 123.151 122.820 0.126 0.000 1.821 478 A HA -0.275 4.048 4.320 0.004 0.000 0.215 478 A C 1.728 179.226 177.584 -0.144 0.000 1.214 478 A CA 2.153 54.176 52.037 -0.023 0.000 0.608 478 A CB -1.705 17.351 19.000 0.093 0.000 0.862 478 A HN 0.487 nan 8.150 nan 0.000 0.448 479 H N 0.140 119.114 119.070 -0.159 0.000 2.541 479 H HA 0.128 4.687 4.556 0.004 0.000 0.289 479 H C 1.579 176.779 175.328 -0.213 0.000 1.054 479 H CA 1.290 57.211 56.048 -0.212 0.000 1.250 479 H CB -0.193 29.379 29.762 -0.317 0.000 1.369 479 H HN 0.350 nan 8.280 nan 0.000 0.578 480 A N -1.383 121.191 122.820 -0.409 0.000 2.195 480 A HA 0.137 4.459 4.320 0.004 0.000 0.210 480 A C 1.684 178.984 177.584 -0.472 0.000 1.165 480 A CA 1.036 52.810 52.037 -0.439 0.000 0.806 480 A CB 0.216 19.062 19.000 -0.258 0.000 0.847 480 A HN 0.519 nan 8.150 nan 0.000 0.482 481 T N -2.068 112.135 114.554 -0.585 0.000 3.336 481 T HA 0.263 4.616 4.350 0.004 0.000 0.273 481 T C 1.482 175.895 174.700 -0.477 0.000 0.932 481 T CA 0.413 62.144 62.100 -0.615 0.000 0.995 481 T CB -0.167 68.087 68.868 -1.023 0.000 1.213 481 T HN 0.194 nan 8.240 nan 0.000 0.502 482 I N 0.929 121.218 120.570 -0.468 0.000 2.729 482 I HA 0.199 4.372 4.170 0.004 0.000 0.256 482 I C 2.052 178.074 176.117 -0.159 0.000 1.115 482 I CA 0.545 61.670 61.300 -0.290 0.000 1.446 482 I CB -0.041 37.806 38.000 -0.254 0.000 1.176 482 I HN 0.083 nan 8.210 nan 0.000 0.446 483 I N 1.517 122.019 120.570 -0.114 0.000 2.208 483 I HA -0.210 3.962 4.170 0.004 0.000 0.245 483 I C -0.478 175.631 176.117 -0.012 0.000 1.097 483 I CA 1.747 63.033 61.300 -0.023 0.000 1.363 483 I CB -1.779 36.254 38.000 0.055 0.000 1.051 483 I HN 0.161 nan 8.210 nan 0.000 0.413 484 P HA -0.192 nan 4.420 nan 0.000 0.215 484 P C 1.420 178.687 177.300 -0.054 0.000 1.157 484 P CA 1.604 64.680 63.100 -0.039 0.000 0.874 484 P CB -0.064 31.579 31.700 -0.095 0.000 0.790 485 K N -0.652 119.694 120.400 -0.089 0.000 2.103 485 K HA -0.104 4.218 4.320 0.004 0.000 0.207 485 K C 1.969 178.534 176.600 -0.058 0.000 1.048 485 K CA 1.226 57.463 56.287 -0.083 0.000 0.930 485 K CB -0.868 31.563 32.500 -0.114 0.000 0.716 485 K HN 0.016 nan 8.250 nan 0.000 0.444 486 V N 1.958 121.841 119.914 -0.052 0.000 2.229 486 V HA -0.251 3.871 4.120 0.004 0.000 0.243 486 V C 2.266 178.344 176.094 -0.026 0.000 1.042 486 V CA 1.640 63.918 62.300 -0.036 0.000 1.000 486 V CB -0.470 31.337 31.823 -0.027 0.000 0.637 486 V HN 0.280 nan 8.190 nan 0.000 0.446 487 L N 0.291 121.504 121.223 -0.016 0.000 2.051 487 L HA -0.268 4.075 4.340 0.004 0.000 0.214 487 L C 2.804 179.666 176.870 -0.013 0.000 1.076 487 L CA 1.772 56.606 54.840 -0.009 0.000 0.758 487 L CB -1.179 40.885 42.059 0.008 0.000 0.890 487 L HN 0.419 nan 8.230 nan 0.000 0.433 488 A N 0.246 123.056 122.820 -0.016 0.000 1.954 488 A HA -0.310 4.012 4.320 0.004 0.000 0.222 488 A C 2.242 179.820 177.584 -0.010 0.000 1.199 488 A CA 2.583 54.610 52.037 -0.016 0.000 0.657 488 A CB -0.654 18.332 19.000 -0.024 0.000 0.823 488 A HN 0.487 nan 8.150 nan 0.000 0.463 489 M N 0.485 120.080 119.600 -0.008 0.000 2.557 489 M HA -0.062 4.420 4.480 0.004 0.000 0.259 489 M C 1.710 178.010 176.300 -0.001 0.000 1.086 489 M CA 1.102 56.408 55.300 0.009 0.000 1.096 489 M CB -0.240 32.373 32.600 0.021 0.000 1.424 489 M HN 0.573 nan 8.290 nan 0.000 0.488 490 S N -0.345 115.346 115.700 -0.016 0.000 2.803 490 S HA 0.091 4.563 4.470 0.004 0.000 0.226 490 S C 1.306 175.895 174.600 -0.018 0.000 0.962 490 S CA 0.473 58.659 58.200 -0.024 0.000 0.968 490 S CB -0.594 62.588 63.200 -0.030 0.000 0.786 490 S HN 0.545 nan 8.310 nan 0.000 0.527 491 G N -0.077 108.714 108.800 -0.014 0.000 3.146 491 G HA2 0.177 4.139 3.960 0.004 0.000 0.238 491 G HA3 0.177 4.139 3.960 0.004 0.000 0.238 491 G C -0.260 174.627 174.900 -0.022 0.000 1.022 491 G CA -0.439 44.652 45.100 -0.016 0.000 0.880 491 G HN 0.354 nan 8.290 nan 0.000 0.533 492 D N 1.759 122.143 120.400 -0.027 0.000 2.525 492 D HA 0.066 4.708 4.640 0.004 0.000 0.235 492 D C -0.884 175.374 176.300 -0.070 0.000 1.137 492 D CA -0.800 53.163 54.000 -0.063 0.000 0.868 492 D CB 2.173 42.914 40.800 -0.098 0.000 1.180 492 D HN 0.093 nan 8.370 nan 0.000 0.465 493 P HA -0.128 nan 4.420 nan 0.000 0.221 493 P C 0.480 177.744 177.300 -0.059 0.000 1.150 493 P CA 0.460 63.528 63.100 -0.052 0.000 0.800 493 P CB 0.324 31.996 31.700 -0.047 0.000 0.787 494 N N 0.701 119.283 118.700 -0.197 0.000 2.421 494 N HA -0.056 4.686 4.740 0.004 0.000 0.260 494 N C 1.100 176.499 175.510 -0.186 0.000 1.173 494 N CA -0.298 52.585 53.050 -0.279 0.000 0.960 494 N CB -0.062 37.987 38.487 -0.731 0.000 1.273 494 N HN 0.128 nan 8.380 nan 0.000 0.497 495 Y N 2.914 123.173 120.300 -0.068 0.000 2.384 495 Y HA -0.118 4.433 4.550 0.003 0.000 0.289 495 Y C 1.393 177.303 175.900 0.017 0.000 1.152 495 Y CA 0.965 59.047 58.100 -0.030 0.000 1.258 495 Y CB -0.355 38.090 38.460 -0.026 0.000 0.979 495 Y HN 0.425 nan 8.280 nan 0.000 0.549 496 L N 0.095 121.024 121.223 -0.489 0.000 2.291 496 L HA -0.134 4.209 4.340 0.004 0.000 0.214 496 L C 2.363 179.246 176.870 0.022 0.000 1.120 496 L CA 1.179 55.856 54.840 -0.271 0.000 0.799 496 L CB -0.661 41.240 42.059 -0.264 0.000 0.925 496 L HN 0.456 nan 8.230 nan 0.000 0.446 497 H N -0.721 118.262 119.070 -0.144 0.000 2.415 497 H HA -0.001 4.557 4.556 0.004 0.000 0.297 497 H C 2.301 177.566 175.328 -0.106 0.000 1.048 497 H CA 0.391 56.383 56.048 -0.093 0.000 1.365 497 H CB 0.246 29.970 29.762 -0.063 0.000 1.421 497 H HN 0.207 nan 8.280 nan 0.000 0.533 498 R N 0.600 121.123 120.500 0.038 0.000 2.091 498 R HA -0.139 4.203 4.340 0.004 0.000 0.238 498 R C 2.391 178.612 176.300 -0.131 0.000 1.136 498 R CA 1.409 57.488 56.100 -0.035 0.000 0.959 498 R CB -0.159 30.132 30.300 -0.015 0.000 0.856 498 R HN 0.267 nan 8.270 nan 0.000 0.437 499 M N -0.355 119.141 119.600 -0.174 0.000 2.117 499 M HA -0.159 4.323 4.480 0.004 0.000 0.262 499 M C 1.552 177.447 176.300 -0.676 0.000 1.065 499 M CA 1.674 56.736 55.300 -0.397 0.000 1.114 499 M CB 0.078 32.507 32.600 -0.285 0.000 1.361 499 M HN 0.099 nan 8.290 nan 0.000 0.408 500 T N -0.192 114.145 114.554 -0.363 0.000 3.051 500 T HA -0.090 4.263 4.350 0.004 0.000 0.269 500 T C 1.435 176.032 174.700 -0.172 0.000 1.127 500 T CA 1.461 63.429 62.100 -0.219 0.000 1.107 500 T CB -0.318 68.524 68.868 -0.044 0.000 0.898 500 T HN 0.456 nan 8.240 nan 0.000 0.517 501 T N 1.960 116.402 114.554 -0.188 0.000 2.821 501 T HA 0.025 4.378 4.350 0.004 0.000 0.267 501 T C 1.683 176.297 174.700 -0.143 0.000 1.046 501 T CA 0.650 62.676 62.100 -0.123 0.000 1.139 501 T CB -0.141 68.669 68.868 -0.097 0.000 0.871 501 T HN 0.158 nan 8.240 nan 0.000 0.454 502 L N 0.299 121.358 121.223 -0.274 0.000 2.068 502 L HA 0.173 4.515 4.340 0.004 0.000 0.204 502 L C 1.965 178.781 176.870 -0.090 0.000 1.076 502 L CA 1.384 56.087 54.840 -0.229 0.000 0.753 502 L CB -1.261 40.597 42.059 -0.334 0.000 0.910 502 L HN 0.214 nan 8.230 nan 0.000 0.439 503 F N -1.017 118.922 119.950 -0.019 0.000 2.250 503 F HA -0.195 4.334 4.527 0.003 0.000 0.301 503 F C 2.578 178.372 175.800 -0.010 0.000 1.077 503 F CA 0.417 58.409 58.000 -0.013 0.000 1.348 503 F CB -1.796 37.197 39.000 -0.011 0.000 1.040 503 F HN 0.124 nan 8.300 nan 0.000 0.509 504 C N -0.226 119.151 119.300 0.128 0.000 2.505 504 C HA 0.028 4.491 4.460 0.004 0.000 0.279 504 C C 2.837 177.855 174.990 0.047 0.000 1.316 504 C CA 0.063 59.123 59.018 0.071 0.000 1.720 504 C CB -1.028 26.732 27.740 0.032 0.000 2.050 504 C HN 0.377 nan 8.230 nan 0.000 0.493 505 I N 1.668 122.254 120.570 0.026 0.000 2.676 505 I HA -0.156 4.017 4.170 0.004 0.000 0.259 505 I C 2.214 178.352 176.117 0.035 0.000 1.194 505 I CA 1.122 62.435 61.300 0.021 0.000 1.473 505 I CB -0.656 37.344 38.000 0.000 0.000 1.096 505 I HN 0.496 nan 8.210 nan 0.000 0.443 506 N N 0.436 119.170 118.700 0.057 0.000 2.104 506 N HA -0.165 4.577 4.740 0.004 0.000 0.190 506 N C 1.700 177.245 175.510 0.057 0.000 1.024 506 N CA 1.507 54.598 53.050 0.068 0.000 0.853 506 N CB 0.141 38.697 38.487 0.116 0.000 1.008 506 N HN 0.176 nan 8.380 nan 0.000 0.424 507 V N 0.674 120.624 119.914 0.060 0.000 3.263 507 V HA 0.038 4.160 4.120 0.004 0.000 0.248 507 V C 2.041 178.163 176.094 0.047 0.000 1.145 507 V CA 0.372 62.702 62.300 0.050 0.000 1.107 507 V CB -0.045 31.808 31.823 0.050 0.000 0.797 507 V HN 0.211 nan 8.190 nan 0.000 0.467 508 L N 1.374 122.625 121.223 0.046 0.000 2.093 508 L HA -0.123 4.219 4.340 0.004 0.000 0.208 508 L C 2.679 179.575 176.870 0.044 0.000 1.085 508 L CA 1.814 56.681 54.840 0.046 0.000 0.755 508 L CB -0.564 41.519 42.059 0.039 0.000 0.904 508 L HN 0.565 nan 8.230 nan 0.000 0.435 509 S N -0.891 114.832 115.700 0.038 0.000 2.500 509 S HA -0.155 4.318 4.470 0.004 0.000 0.239 509 S C 1.433 176.053 174.600 0.035 0.000 0.989 509 S CA 1.026 59.247 58.200 0.035 0.000 0.951 509 S CB -0.231 62.987 63.200 0.030 0.000 0.759 509 S HN 0.550 nan 8.310 nan 0.000 0.523 510 E N 1.259 121.481 120.200 0.037 0.000 2.079 510 E HA 0.015 4.368 4.350 0.004 0.000 0.191 510 E C 2.221 178.844 176.600 0.039 0.000 0.961 510 E CA 0.915 57.336 56.400 0.035 0.000 0.823 510 E CB -0.325 29.395 29.700 0.034 0.000 0.789 510 E HN 0.512 nan 8.360 nan 0.000 0.459 511 V N -0.506 119.436 119.914 0.046 0.000 2.913 511 V HA -0.140 3.982 4.120 0.004 0.000 0.260 511 V C 1.781 177.912 176.094 0.061 0.000 1.098 511 V CA 0.945 63.278 62.300 0.055 0.000 1.121 511 V CB -0.865 30.998 31.823 0.067 0.000 0.714 511 V HN 0.306 nan 8.190 nan 0.000 0.487 512 C N 0.228 119.562 119.300 0.056 0.000 2.664 512 C HA 0.747 5.210 4.460 0.004 0.000 0.285 512 C C 1.445 176.461 174.990 0.043 0.000 1.386 512 C CA 0.648 59.699 59.018 0.054 0.000 1.753 512 C CB -0.441 27.329 27.740 0.050 0.000 2.115 512 C HN 1.013 nan 8.230 nan 0.000 0.577 513 G N -0.762 108.060 108.800 0.037 0.000 2.353 513 G HA2 0.031 3.993 3.960 0.004 0.000 0.424 513 G HA3 0.031 3.993 3.960 0.004 0.000 0.424 513 G C -0.036 174.882 174.900 0.029 0.000 1.320 513 G CA 0.242 45.361 45.100 0.031 0.000 0.995 513 G HN 0.265 nan 8.290 nan 0.000 0.580 514 Q N -0.800 119.015 119.800 0.024 0.000 2.050 514 Q HA -0.110 4.233 4.340 0.004 0.000 0.202 514 Q C 1.566 177.580 176.000 0.023 0.000 0.980 514 Q CA 2.058 57.874 55.803 0.021 0.000 0.840 514 Q CB -0.145 28.603 28.738 0.017 0.000 0.898 514 Q HN 0.505 nan 8.270 nan 0.000 0.424 515 D N -0.870 119.544 120.400 0.025 0.000 2.355 515 D HA -0.016 4.627 4.640 0.004 0.000 0.253 515 D C 0.445 176.768 176.300 0.039 0.000 1.187 515 D CA 0.399 54.415 54.000 0.027 0.000 0.900 515 D CB 0.180 40.995 40.800 0.025 0.000 0.915 515 D HN 0.328 nan 8.370 nan 0.000 0.516 516 I N -2.283 118.313 120.570 0.043 0.000 4.738 516 I HA -0.032 4.141 4.170 0.004 0.000 0.315 516 I C 2.037 178.198 176.117 0.073 0.000 1.214 516 I CA 0.239 61.572 61.300 0.054 0.000 1.337 516 I CB 0.160 38.176 38.000 0.027 0.000 1.433 516 I HN -0.162 nan 8.210 nan 0.000 0.472 517 T N 0.518 115.100 114.554 0.047 0.000 2.821 517 T HA -0.137 4.215 4.350 0.004 0.000 0.267 517 T C 1.849 176.565 174.700 0.027 0.000 1.046 517 T CA 2.149 64.272 62.100 0.040 0.000 1.139 517 T CB -0.486 68.398 68.868 0.026 0.000 0.871 517 T HN 0.321 nan 8.240 nan 0.000 0.454 518 T N 2.325 116.888 114.554 0.016 0.000 2.594 518 T HA -0.199 4.153 4.350 0.004 0.000 0.266 518 T C 1.641 176.309 174.700 -0.055 0.000 1.070 518 T CA 1.524 63.615 62.100 -0.014 0.000 1.166 518 T CB -0.246 68.614 68.868 -0.013 0.000 0.862 518 T HN 0.454 nan 8.240 nan 0.000 0.436 519 K N -1.026 119.307 120.400 -0.113 0.000 2.402 519 K HA 0.230 4.552 4.320 0.004 0.000 0.204 519 K C 1.482 177.831 176.600 -0.417 0.000 1.056 519 K CA -0.132 56.002 56.287 -0.253 0.000 1.069 519 K CB 0.551 32.861 32.500 -0.316 0.000 0.888 519 K HN 0.437 nan 8.250 nan 0.000 0.546 520 H N -0.440 118.571 119.070 -0.099 0.000 2.317 520 H HA 0.231 4.790 4.556 0.004 0.000 0.291 520 H C 1.746 177.036 175.328 -0.063 0.000 0.999 520 H CA 0.626 56.601 56.048 -0.122 0.000 1.336 520 H CB 0.325 29.943 29.762 -0.240 0.000 1.485 520 H HN -0.006 nan 8.280 nan 0.000 0.597 521 M N 0.337 119.986 119.600 0.080 0.000 2.248 521 M HA -0.059 4.424 4.480 0.004 0.000 0.265 521 M C 2.293 178.600 176.300 0.010 0.000 1.079 521 M CA 0.614 55.937 55.300 0.038 0.000 1.150 521 M CB 0.038 32.657 32.600 0.033 0.000 1.366 521 M HN 0.029 nan 8.290 nan 0.000 0.433 522 L N 1.513 122.738 121.223 0.003 0.000 2.043 522 L HA -0.116 4.227 4.340 0.004 0.000 0.212 522 L C -0.918 175.941 176.870 -0.017 0.000 1.075 522 L CA 2.312 57.147 54.840 -0.008 0.000 0.752 522 L CB -1.558 40.494 42.059 -0.012 0.000 0.891 522 L HN 0.077 nan 8.230 nan 0.000 0.432 523 P HA -0.029 nan 4.420 nan 0.000 0.234 523 P C 1.041 178.328 177.300 -0.021 0.000 1.167 523 P CA 1.206 64.288 63.100 -0.030 0.000 0.763 523 P CB -0.074 31.599 31.700 -0.046 0.000 0.835 524 T N -2.391 112.154 114.554 -0.015 0.000 3.033 524 T HA 0.026 4.378 4.350 0.004 0.000 0.248 524 T C 1.778 176.466 174.700 -0.020 0.000 1.040 524 T CA 0.451 62.542 62.100 -0.015 0.000 1.133 524 T CB -0.731 68.132 68.868 -0.008 0.000 0.895 524 T HN -0.120 nan 8.240 nan 0.000 0.465 525 V N 2.176 122.078 119.914 -0.019 0.000 2.270 525 V HA -0.064 4.058 4.120 0.004 0.000 0.245 525 V C 2.517 178.599 176.094 -0.019 0.000 1.043 525 V CA 1.424 63.710 62.300 -0.024 0.000 1.014 525 V CB -0.903 30.910 31.823 -0.018 0.000 0.645 525 V HN 0.369 nan 8.190 nan 0.000 0.447 526 L N -0.201 121.014 121.223 -0.013 0.000 2.127 526 L HA -0.213 4.130 4.340 0.004 0.000 0.211 526 L C 2.738 179.602 176.870 -0.010 0.000 1.089 526 L CA 1.768 56.602 54.840 -0.009 0.000 0.757 526 L CB -0.588 41.465 42.059 -0.009 0.000 0.899 526 L HN 0.279 nan 8.230 nan 0.000 0.434 527 R N 0.210 120.702 120.500 -0.014 0.000 2.092 527 R HA -0.115 4.227 4.340 0.004 0.000 0.231 527 R C 2.209 178.500 176.300 -0.015 0.000 1.119 527 R CA 1.151 57.243 56.100 -0.014 0.000 0.970 527 R CB -0.051 30.239 30.300 -0.016 0.000 0.864 527 R HN 0.314 nan 8.270 nan 0.000 0.440 528 M N -0.080 119.507 119.600 -0.021 0.000 2.630 528 M HA 0.006 4.488 4.480 0.004 0.000 0.254 528 M C 2.044 178.330 176.300 -0.022 0.000 1.092 528 M CA 0.728 56.012 55.300 -0.028 0.000 1.087 528 M CB 0.022 32.595 32.600 -0.044 0.000 1.453 528 M HN 0.242 nan 8.290 nan 0.000 0.509 529 A N 0.744 123.557 122.820 -0.012 0.000 2.084 529 A HA -0.015 4.308 4.320 0.004 0.000 0.221 529 A C 1.441 179.027 177.584 0.002 0.000 1.161 529 A CA 1.461 53.498 52.037 0.001 0.000 0.653 529 A CB -0.895 18.110 19.000 0.008 0.000 0.802 529 A HN 0.510 nan 8.150 nan 0.000 0.457 530 G N -0.207 108.591 108.800 -0.003 0.000 2.504 530 G HA2 0.479 4.441 3.960 0.004 0.000 0.326 530 G HA3 0.479 4.441 3.960 0.004 0.000 0.326 530 G C -1.193 173.702 174.900 -0.009 0.000 1.073 530 G CA -0.130 44.969 45.100 -0.003 0.000 1.030 530 G HN 0.185 nan 8.290 nan 0.000 0.448 531 D N 3.115 123.509 120.400 -0.009 0.000 2.966 531 D HA 0.234 4.877 4.640 0.004 0.000 0.222 531 D C -1.788 174.502 176.300 -0.018 0.000 1.292 531 D CA -1.261 52.729 54.000 -0.017 0.000 0.907 531 D CB 3.292 44.076 40.800 -0.026 0.000 1.621 531 D HN 0.179 nan 8.370 nan 0.000 0.557 532 P HA -0.019 nan 4.420 nan 0.000 0.225 532 P C 0.592 177.863 177.300 -0.048 0.000 1.148 532 P CA 0.280 63.364 63.100 -0.027 0.000 0.779 532 P CB 0.432 32.117 31.700 -0.025 0.000 0.780 533 V N 1.259 121.133 119.914 -0.066 0.000 2.320 533 V HA 0.303 4.426 4.120 0.004 0.000 0.265 533 V C 1.841 177.881 176.094 -0.090 0.000 1.048 533 V CA 0.017 62.241 62.300 -0.126 0.000 0.865 533 V CB 0.208 31.899 31.823 -0.220 0.000 1.043 533 V HN 0.036 nan 8.190 nan 0.000 0.474 534 A N 4.060 126.852 122.820 -0.047 0.000 2.042 534 A HA -0.232 4.090 4.320 0.004 0.000 0.222 534 A C 2.083 179.698 177.584 0.052 0.000 1.167 534 A CA 2.178 54.236 52.037 0.034 0.000 0.649 534 A CB -0.476 18.569 19.000 0.075 0.000 0.809 534 A HN 0.770 nan 8.150 nan 0.000 0.457 535 N N -0.114 118.564 118.700 -0.036 0.000 2.331 535 N HA -0.085 4.657 4.740 0.004 0.000 0.180 535 N C 1.470 176.685 175.510 -0.491 0.000 1.019 535 N CA 1.551 54.525 53.050 -0.127 0.000 0.881 535 N CB 0.005 38.499 38.487 0.011 0.000 0.972 535 N HN 0.316 nan 8.380 nan 0.000 0.435 536 V N 0.729 120.487 119.914 -0.259 0.000 2.725 536 V HA 0.029 4.151 4.120 0.004 0.000 0.247 536 V C 2.351 178.284 176.094 -0.268 0.000 1.058 536 V CA 0.636 62.788 62.300 -0.247 0.000 1.080 536 V CB -0.303 31.462 31.823 -0.097 0.000 0.713 536 V HN 0.173 nan 8.190 nan 0.000 0.465 537 R N 0.700 121.097 120.500 -0.173 0.000 2.080 537 R HA -0.192 4.150 4.340 0.004 0.000 0.236 537 R C 2.362 178.672 176.300 0.017 0.000 1.137 537 R CA 2.337 58.411 56.100 -0.043 0.000 0.943 537 R CB -0.581 29.750 30.300 0.051 0.000 0.846 537 R HN 0.716 nan 8.270 nan 0.000 0.431 538 F N 0.207 120.225 119.950 0.112 0.000 2.325 538 F HA 0.037 4.566 4.527 0.004 0.000 0.299 538 F C 1.718 177.543 175.800 0.042 0.000 1.090 538 F CA 0.532 58.642 58.000 0.184 0.000 1.392 538 F CB -0.604 38.627 39.000 0.385 0.000 1.053 538 F HN -0.124 nan 8.300 nan 0.000 0.521 539 N N 1.390 119.904 118.700 -0.310 0.000 2.331 539 N HA -0.095 4.647 4.740 0.004 0.000 0.180 539 N C 1.923 177.360 175.510 -0.121 0.000 1.019 539 N CA 1.252 54.169 53.050 -0.220 0.000 0.881 539 N CB -0.080 38.214 38.487 -0.322 0.000 0.972 539 N HN 0.302 nan 8.380 nan 0.000 0.435 540 V N 1.381 121.236 119.914 -0.098 0.000 2.332 540 V HA -0.213 3.909 4.120 0.004 0.000 0.248 540 V C 2.503 178.596 176.094 -0.001 0.000 1.055 540 V CA 1.858 64.128 62.300 -0.049 0.000 1.038 540 V CB -1.001 30.804 31.823 -0.031 0.000 0.651 540 V HN 0.273 nan 8.190 nan 0.000 0.450 541 A N -0.233 122.616 122.820 0.048 0.000 1.902 541 A HA -0.217 4.105 4.320 0.004 0.000 0.217 541 A C 2.318 179.931 177.584 0.049 0.000 1.181 541 A CA 1.903 53.994 52.037 0.090 0.000 0.623 541 A CB -0.435 18.689 19.000 0.205 0.000 0.818 541 A HN 0.533 nan 8.150 nan 0.000 0.443 542 K N -0.475 119.902 120.400 -0.037 0.000 2.148 542 K HA -0.086 4.237 4.320 0.004 0.000 0.204 542 K C 2.371 178.958 176.600 -0.022 0.000 1.050 542 K CA 1.256 57.482 56.287 -0.103 0.000 0.942 542 K CB -0.154 32.177 32.500 -0.281 0.000 0.724 542 K HN 0.449 nan 8.250 nan 0.000 0.446 543 S N 0.871 116.563 115.700 -0.012 0.000 2.387 543 S HA -0.021 4.451 4.470 0.004 0.000 0.226 543 S C 1.850 176.457 174.600 0.012 0.000 1.026 543 S CA 0.751 58.955 58.200 0.006 0.000 0.972 543 S CB -0.032 63.156 63.200 -0.020 0.000 0.814 543 S HN 0.170 nan 8.310 nan 0.000 0.477 544 L N 1.218 122.448 121.223 0.012 0.000 2.109 544 L HA 0.004 4.346 4.340 0.004 0.000 0.207 544 L C 2.792 179.676 176.870 0.024 0.000 1.086 544 L CA 1.255 56.106 54.840 0.018 0.000 0.760 544 L CB -0.464 41.608 42.059 0.022 0.000 0.910 544 L HN 0.413 nan 8.230 nan 0.000 0.437 545 Q N 0.305 120.123 119.800 0.029 0.000 2.234 545 Q HA -0.285 4.057 4.340 0.004 0.000 0.206 545 Q C 2.036 178.053 176.000 0.028 0.000 0.980 545 Q CA 1.665 57.487 55.803 0.032 0.000 0.869 545 Q CB 0.196 28.960 28.738 0.042 0.000 0.912 545 Q HN 0.227 nan 8.270 nan 0.000 0.436 546 K N 0.506 120.922 120.400 0.026 0.000 2.067 546 K HA -0.024 4.298 4.320 0.004 0.000 0.203 546 K C 1.932 178.548 176.600 0.026 0.000 1.048 546 K CA 1.118 57.422 56.287 0.028 0.000 0.954 546 K CB -0.125 32.396 32.500 0.034 0.000 0.737 546 K HN 0.422 nan 8.250 nan 0.000 0.444 547 I N -2.509 118.076 120.570 0.024 0.000 2.928 547 I HA 0.166 4.338 4.170 0.004 0.000 0.266 547 I C 1.857 177.986 176.117 0.019 0.000 1.234 547 I CA 0.878 62.191 61.300 0.021 0.000 1.483 547 I CB -0.666 37.345 38.000 0.019 0.000 1.097 547 I HN 0.075 nan 8.210 nan 0.000 0.455 548 G N 2.695 111.506 108.800 0.019 0.000 2.586 548 G HA2 -0.209 3.754 3.960 0.004 0.000 0.218 548 G HA3 -0.209 3.754 3.960 0.004 0.000 0.218 548 G C -0.297 174.612 174.900 0.016 0.000 1.216 548 G CA 1.459 46.569 45.100 0.017 0.000 0.786 548 G HN 0.356 nan 8.290 nan 0.000 0.583 549 P HA -0.154 nan 4.420 nan 0.000 0.217 549 P C 1.886 179.196 177.300 0.016 0.000 1.158 549 P CA 1.284 64.394 63.100 0.016 0.000 0.887 549 P CB -0.167 31.544 31.700 0.018 0.000 0.792 550 I N -2.447 118.134 120.570 0.017 0.000 2.353 550 I HA -0.125 4.047 4.170 0.004 0.000 0.248 550 I C 1.431 177.557 176.117 0.015 0.000 1.119 550 I CA 0.400 61.710 61.300 0.017 0.000 1.417 550 I CB -0.622 37.390 38.000 0.020 0.000 1.078 550 I HN -0.124 nan 8.210 nan 0.000 0.421 551 L N 0.742 121.973 121.223 0.014 0.000 2.476 551 L HA 0.071 4.414 4.340 0.004 0.000 0.264 551 L C -0.110 176.766 176.870 0.010 0.000 1.224 551 L CA 0.135 54.982 54.840 0.011 0.000 0.821 551 L CB 0.180 42.245 42.059 0.010 0.000 1.101 551 L HN 0.074 nan 8.230 nan 0.000 0.488 552 D N -0.764 119.641 120.400 0.008 0.000 2.268 552 D HA 0.108 4.751 4.640 0.004 0.000 0.249 552 D C 0.741 177.044 176.300 0.005 0.000 1.008 552 D CA -0.491 53.513 54.000 0.007 0.000 0.939 552 D CB 1.145 41.949 40.800 0.006 0.000 1.170 552 D HN 0.401 nan 8.370 nan 0.000 0.468 553 N N 0.154 118.857 118.700 0.005 0.000 2.348 553 N HA -0.185 4.557 4.740 0.004 0.000 0.185 553 N C 1.413 176.925 175.510 0.004 0.000 1.019 553 N CA 1.651 54.704 53.050 0.005 0.000 0.880 553 N CB 0.034 38.524 38.487 0.005 0.000 0.965 553 N HN 0.360 nan 8.380 nan 0.000 0.437 554 S N -2.216 113.486 115.700 0.002 0.000 2.371 554 S HA -0.061 4.412 4.470 0.004 0.000 0.224 554 S C 1.825 176.425 174.600 -0.001 0.000 1.029 554 S CA 1.411 59.611 58.200 0.001 0.000 0.978 554 S CB -0.810 62.390 63.200 -0.000 0.000 0.833 554 S HN 0.287 nan 8.310 nan 0.000 0.466 555 T N 2.626 117.179 114.554 -0.001 0.000 3.023 555 T HA 0.267 4.620 4.350 0.004 0.000 0.266 555 T C 1.615 176.315 174.700 -0.000 0.000 1.093 555 T CA 0.737 62.835 62.100 -0.003 0.000 1.129 555 T CB -0.380 68.486 68.868 -0.004 0.000 0.899 555 T HN 0.302 nan 8.240 nan 0.000 0.491 556 L N 0.463 121.687 121.223 0.003 0.000 2.341 556 L HA 0.079 4.422 4.340 0.004 0.000 0.214 556 L C 2.605 179.478 176.870 0.005 0.000 1.115 556 L CA 0.571 55.414 54.840 0.005 0.000 0.820 556 L CB -0.345 41.718 42.059 0.007 0.000 0.944 556 L HN 0.081 nan 8.230 nan 0.000 0.452 557 Q N -0.509 119.293 119.800 0.004 0.000 2.398 557 Q HA 0.027 4.370 4.340 0.004 0.000 0.204 557 Q C 2.026 178.028 176.000 0.003 0.000 0.932 557 Q CA 1.192 56.997 55.803 0.004 0.000 0.916 557 Q CB 0.454 29.194 28.738 0.003 0.000 1.024 557 Q HN 0.579 nan 8.270 nan 0.000 0.504 558 S N -2.339 113.362 115.700 0.002 0.000 2.628 558 S HA 0.252 4.724 4.470 0.004 0.000 0.246 558 S C 1.335 175.935 174.600 0.000 0.000 1.062 558 S CA -0.336 57.864 58.200 0.001 0.000 1.028 558 S CB 0.523 63.722 63.200 -0.001 0.000 0.985 558 S HN 0.139 nan 8.310 nan 0.000 0.551 559 E N 0.834 121.034 120.200 -0.000 0.000 2.357 559 E HA 0.209 4.561 4.350 0.004 0.000 0.202 559 E C 1.511 178.112 176.600 0.003 0.000 0.855 559 E CA 0.589 56.989 56.400 -0.001 0.000 1.048 559 E CB 0.354 30.051 29.700 -0.005 0.000 1.037 559 E HN 0.233 nan 8.360 nan 0.000 0.499 560 V N 2.374 122.290 119.914 0.004 0.000 2.548 560 V HA -0.168 3.954 4.120 0.004 0.000 0.249 560 V C 2.332 178.433 176.094 0.012 0.000 1.055 560 V CA 1.478 63.782 62.300 0.008 0.000 1.065 560 V CB -0.301 31.528 31.823 0.009 0.000 0.681 560 V HN 0.164 nan 8.190 nan 0.000 0.462 561 K N 0.802 121.208 120.400 0.010 0.000 1.991 561 K HA -0.164 4.159 4.320 0.004 0.000 0.212 561 K C -0.453 176.155 176.600 0.013 0.000 1.049 561 K CA 2.003 58.297 56.287 0.011 0.000 0.932 561 K CB -1.013 31.492 32.500 0.009 0.000 0.717 561 K HN 0.407 nan 8.250 nan 0.000 0.441 562 P HA -0.065 nan 4.420 nan 0.000 0.237 562 P C 0.897 178.205 177.300 0.014 0.000 1.178 562 P CA 0.676 63.783 63.100 0.011 0.000 0.766 562 P CB 0.158 31.862 31.700 0.007 0.000 0.876 563 I N -1.100 119.479 120.570 0.015 0.000 2.429 563 I HA -0.030 4.142 4.170 0.004 0.000 0.247 563 I C 2.151 178.284 176.117 0.027 0.000 1.099 563 I CA 0.927 62.238 61.300 0.018 0.000 1.422 563 I CB -1.229 36.779 38.000 0.014 0.000 1.112 563 I HN -0.040 nan 8.210 nan 0.000 0.430 564 L N 0.311 121.552 121.223 0.029 0.000 2.201 564 L HA -0.156 4.186 4.340 0.004 0.000 0.212 564 L C 2.313 179.207 176.870 0.040 0.000 1.105 564 L CA 1.147 56.011 54.840 0.040 0.000 0.775 564 L CB -0.406 41.675 42.059 0.036 0.000 0.913 564 L HN 0.274 nan 8.230 nan 0.000 0.440 565 E N 0.621 120.840 120.200 0.030 0.000 2.122 565 E HA -0.174 4.179 4.350 0.004 0.000 0.190 565 E C 1.738 178.355 176.600 0.030 0.000 0.977 565 E CA 0.731 57.148 56.400 0.028 0.000 0.820 565 E CB 0.076 29.788 29.700 0.020 0.000 0.770 565 E HN 0.476 nan 8.360 nan 0.000 0.462 566 K N 0.798 121.215 120.400 0.028 0.000 2.611 566 K HA -0.000 4.322 4.320 0.004 0.000 0.193 566 K C 1.326 177.948 176.600 0.036 0.000 1.026 566 K CA 0.525 56.828 56.287 0.027 0.000 1.063 566 K CB 0.116 32.628 32.500 0.021 0.000 0.839 566 K HN 0.103 nan 8.250 nan 0.000 0.505 567 L N 0.550 121.802 121.223 0.048 0.000 2.362 567 L HA -0.007 4.336 4.340 0.004 0.000 0.204 567 L C 2.242 179.153 176.870 0.069 0.000 1.060 567 L CA 0.720 55.600 54.840 0.066 0.000 0.827 567 L CB -0.242 41.870 42.059 0.087 0.000 1.027 567 L HN 0.352 nan 8.230 nan 0.000 0.474 568 T N -3.153 111.436 114.554 0.060 0.000 2.977 568 T HA -0.146 4.206 4.350 0.004 0.000 0.271 568 T C 1.715 176.439 174.700 0.040 0.000 1.105 568 T CA 0.715 62.846 62.100 0.051 0.000 1.116 568 T CB -0.124 68.769 68.868 0.042 0.000 0.878 568 T HN 0.174 nan 8.240 nan 0.000 0.509 569 Q N 1.158 120.980 119.800 0.036 0.000 2.187 569 Q HA 0.119 4.462 4.340 0.004 0.000 0.199 569 Q C 0.663 176.680 176.000 0.028 0.000 0.957 569 Q CA 0.724 56.543 55.803 0.028 0.000 0.857 569 Q CB -0.452 28.300 28.738 0.023 0.000 0.929 569 Q HN 0.632 nan 8.270 nan 0.000 0.453 570 D N 1.797 122.218 120.400 0.036 0.000 2.351 570 D HA -0.048 4.594 4.640 0.004 0.000 0.251 570 D C 0.219 176.542 176.300 0.037 0.000 1.137 570 D CA -0.143 53.879 54.000 0.036 0.000 0.879 570 D CB 0.699 41.526 40.800 0.045 0.000 1.181 570 D HN -0.095 nan 8.370 nan 0.000 0.448 571 Q N 3.100 122.917 119.800 0.028 0.000 3.107 571 Q HA 0.058 4.400 4.340 0.004 0.000 0.268 571 Q C -0.987 175.029 176.000 0.026 0.000 1.382 571 Q CA 0.059 55.875 55.803 0.022 0.000 0.927 571 Q CB -0.205 28.541 28.738 0.014 0.000 1.755 571 Q HN 0.439 nan 8.270 nan 0.000 0.545 572 D N 0.845 121.268 120.400 0.037 0.000 2.646 572 D HA 0.186 4.829 4.640 0.004 0.000 0.245 572 D C 0.758 177.072 176.300 0.023 0.000 1.099 572 D CA -0.672 53.354 54.000 0.043 0.000 0.849 572 D CB 2.464 43.317 40.800 0.088 0.000 1.448 572 D HN 0.048 nan 8.370 nan 0.000 0.489 573 V N 3.034 122.940 119.914 -0.013 0.000 2.216 573 V HA -0.184 3.939 4.120 0.004 0.000 0.243 573 V C 1.725 177.763 176.094 -0.095 0.000 1.044 573 V CA 1.502 63.763 62.300 -0.065 0.000 0.995 573 V CB -0.256 31.507 31.823 -0.100 0.000 0.633 573 V HN 0.648 nan 8.190 nan 0.000 0.446 574 D N -0.501 119.812 120.400 -0.145 0.000 2.347 574 D HA 0.008 4.650 4.640 0.004 0.000 0.213 574 D C 2.059 178.323 176.300 -0.060 0.000 0.985 574 D CA 0.562 54.413 54.000 -0.247 0.000 0.879 574 D CB 0.551 41.070 40.800 -0.468 0.000 0.919 574 D HN 0.281 nan 8.370 nan 0.000 0.526 575 V N 1.994 121.977 119.914 0.114 0.000 2.270 575 V HA -0.220 3.902 4.120 0.004 0.000 0.245 575 V C 2.027 178.245 176.094 0.207 0.000 1.043 575 V CA 1.690 64.166 62.300 0.292 0.000 1.014 575 V CB -0.352 31.631 31.823 0.266 0.000 0.645 575 V HN 0.261 nan 8.190 nan 0.000 0.447 576 K N -1.183 119.290 120.400 0.121 0.000 2.665 576 K HA -0.069 4.253 4.320 0.004 0.000 0.214 576 K C 1.351 178.010 176.600 0.099 0.000 1.032 576 K CA 0.645 56.989 56.287 0.095 0.000 1.198 576 K CB -0.194 32.345 32.500 0.064 0.000 0.941 576 K HN 0.537 nan 8.250 nan 0.000 0.491 577 Y N -0.173 120.063 120.300 -0.106 0.000 2.594 577 Y HA 0.224 4.777 4.550 0.004 0.000 0.283 577 Y C 0.951 176.728 175.900 -0.205 0.000 1.140 577 Y CA -0.227 57.730 58.100 -0.237 0.000 1.261 577 Y CB 0.318 38.507 38.460 -0.452 0.000 1.358 577 Y HN 0.004 nan 8.280 nan 0.000 0.513 578 F N 0.265 120.213 119.950 -0.002 0.000 2.558 578 F HA 0.126 4.655 4.527 0.004 0.000 0.298 578 F C 2.351 178.141 175.800 -0.017 0.000 1.119 578 F CA 0.990 58.962 58.000 -0.048 0.000 1.451 578 F CB -0.773 38.292 39.000 0.109 0.000 1.091 578 F HN 0.179 nan 8.300 nan 0.000 0.563 579 A N -0.903 122.017 122.820 0.167 0.000 1.943 579 A HA -0.093 4.229 4.320 0.004 0.000 0.213 579 A C 1.979 179.589 177.584 0.044 0.000 1.181 579 A CA 0.794 52.895 52.037 0.108 0.000 0.653 579 A CB -0.412 18.655 19.000 0.111 0.000 0.833 579 A HN 0.260 nan 8.150 nan 0.000 0.451 580 Q N -0.505 119.301 119.800 0.010 0.000 2.451 580 Q HA 0.071 4.413 4.340 0.004 0.000 0.206 580 Q C 1.560 177.529 176.000 -0.052 0.000 0.947 580 Q CA 1.253 57.049 55.803 -0.012 0.000 0.937 580 Q CB 0.048 28.787 28.738 0.003 0.000 1.025 580 Q HN 0.781 nan 8.270 nan 0.000 0.511 581 E N -1.919 118.222 120.200 -0.099 0.000 2.330 581 E HA 0.132 4.484 4.350 0.004 0.000 0.200 581 E C 1.425 177.997 176.600 -0.047 0.000 0.922 581 E CA 0.572 56.897 56.400 -0.126 0.000 0.935 581 E CB 0.115 29.631 29.700 -0.306 0.000 0.917 581 E HN 0.315 nan 8.360 nan 0.000 0.491 582 A N 1.072 123.891 122.820 -0.003 0.000 2.015 582 A HA -0.057 4.266 4.320 0.004 0.000 0.219 582 A C 2.027 179.621 177.584 0.017 0.000 1.163 582 A CA 0.601 52.654 52.037 0.026 0.000 0.646 582 A CB -0.432 18.603 19.000 0.057 0.000 0.806 582 A HN 0.264 nan 8.150 nan 0.000 0.448 583 L N -0.462 120.768 121.223 0.013 0.000 2.131 583 L HA -0.131 4.211 4.340 0.004 0.000 0.210 583 L C 2.320 179.193 176.870 0.005 0.000 1.092 583 L CA 1.680 56.527 54.840 0.011 0.000 0.759 583 L CB -0.302 41.764 42.059 0.011 0.000 0.903 583 L HN 0.384 nan 8.230 nan 0.000 0.435 584 T N -2.199 112.354 114.554 -0.002 0.000 3.081 584 T HA -0.001 4.351 4.350 0.004 0.000 0.255 584 T C 1.813 176.512 174.700 -0.001 0.000 1.113 584 T CA 0.276 62.374 62.100 -0.004 0.000 1.082 584 T CB 0.209 69.071 68.868 -0.011 0.000 0.939 584 T HN 0.038 nan 8.240 nan 0.000 0.506 585 V N 1.497 121.413 119.914 0.002 0.000 2.667 585 V HA 0.067 4.189 4.120 0.004 0.000 0.252 585 V C 1.747 177.847 176.094 0.010 0.000 1.065 585 V CA 1.296 63.601 62.300 0.008 0.000 1.083 585 V CB -0.501 31.330 31.823 0.014 0.000 0.692 585 V HN 0.516 nan 8.190 nan 0.000 0.468 586 L N -0.791 120.438 121.223 0.010 0.000 2.910 586 L HA 0.315 4.657 4.340 0.004 0.000 0.252 586 L C 1.112 177.987 176.870 0.008 0.000 1.195 586 L CA -0.009 54.837 54.840 0.010 0.000 1.003 586 L CB 0.187 42.253 42.059 0.011 0.000 1.328 586 L HN 0.261 nan 8.230 nan 0.000 0.540 587 S N 0.411 116.115 115.700 0.007 0.000 3.476 587 S HA -0.176 4.296 4.470 0.004 0.000 0.309 587 S C 0.614 175.218 174.600 0.006 0.000 1.222 587 S CA 0.598 58.802 58.200 0.006 0.000 0.922 587 S CB -1.420 61.783 63.200 0.006 0.000 1.023 587 S HN 0.393 nan 8.310 nan 0.000 0.591 588 L N 0.655 121.882 121.223 0.006 0.000 2.990 588 L HA 0.506 4.849 4.340 0.004 0.000 0.231 588 L C 0.815 177.689 176.870 0.006 0.000 1.341 588 L CA -0.033 54.811 54.840 0.007 0.000 1.208 588 L CB -0.214 41.850 42.059 0.008 0.000 1.571 588 L HN 0.435 nan 8.230 nan 0.000 0.453 589 A N 0.000 122.823 122.820 0.005 0.000 2.254 589 A HA 0.000 4.322 4.320 0.004 0.000 0.244 589 A CA 0.000 52.040 52.037 0.004 0.000 0.836 589 A CB 0.000 19.001 19.000 0.002 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486