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 2ubp_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKINRQQYAE SYGPTVGDEV RLADTDLWIE VEKDYTTYGD EVNFGGGKVL DATA SEQUENCE REGMGENGTY TRTENVLDLL LTNALILDYT GIYKADIGVK DGYIVGIGKG DATA SEQUENCE GNPDIMDGVT PNMIVGTATE VIAAEGKIVT AGGIDTHVHF INPDQVDVAL DATA SEQUENCE ANGITTLFGG GTGPAEGSKA TTVTPGPWNI EKMLKSTEGL PINVGILGKG DATA SEQUENCE HGSSIAPIME QIDAGAAGLX IHEDWGATPA SIDRSLTVAD EADVQVAIHS DATA SEQUENCE DTLNEAGFLE DTLRAINGRV IHSFHVEGAG GGHAPDIMAM AGHPNVLPSS DATA SEQUENCE TNPTRPFTVN TIDEHLDMLM VCHHLKQNIP EDVAFADSRI RPETIAAEDI DATA SEQUENCE LHDLGIISMM STDALAMGRA GEMVLRTWQT ADKMKKQRGP LAEEKNGSDN DATA SEQUENCE FRLKRYVSKY TINPAIAQGI AHEVGSIEEG KFADLVLWEP KFFGVKADRV DATA SEQUENCE IKGGIIAYAQ IGDPSASIPT PQPVMGRRMY GTVGDLIHDT NITFMSKSSI DATA SEQUENCE QQGVPAKLGL KRRIGTVKNC RNIGKKDMKW NDVTTDIDIN PETYEVKVDG DATA SEQUENCE EVLTCEPVKE LPMAQRYFLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.313 176.300 0.021 0.000 1.140 1 M CA 0.000 55.313 55.300 0.022 0.000 0.988 1 M CB 0.000 32.618 32.600 0.029 0.000 1.302 2 K N 3.645 124.055 120.400 0.016 0.000 2.318 2 K HA 0.780 5.100 4.320 -0.000 0.000 0.249 2 K C -1.164 175.450 176.600 0.024 0.000 0.942 2 K CA -0.796 55.495 56.287 0.006 0.000 0.808 2 K CB 2.768 35.261 32.500 -0.011 0.000 1.189 2 K HN 0.573 nan 8.250 nan 0.000 0.428 3 I N 2.738 123.327 120.570 0.033 0.000 2.378 3 I HA 0.130 4.300 4.170 -0.000 0.000 0.291 3 I C 0.132 176.281 176.117 0.054 0.000 0.992 3 I CA -1.077 60.270 61.300 0.079 0.000 1.154 3 I CB 1.323 39.439 38.000 0.193 0.000 1.315 3 I HN 0.656 nan 8.210 nan 0.000 0.448 4 N N 6.705 125.433 118.700 0.047 0.000 2.453 4 N HA 0.088 4.828 4.740 -0.000 0.000 0.253 4 N C 0.697 176.242 175.510 0.059 0.000 1.252 4 N CA 0.029 53.096 53.050 0.028 0.000 0.917 4 N CB 0.957 39.456 38.487 0.019 0.000 1.117 4 N HN 0.472 nan 8.380 nan 0.000 0.442 5 R N 0.568 121.086 120.500 0.029 0.000 2.096 5 R HA -0.171 4.168 4.340 -0.000 0.000 0.235 5 R C 1.648 178.011 176.300 0.105 0.000 1.127 5 R CA 1.433 57.565 56.100 0.052 0.000 0.968 5 R CB -0.508 29.793 30.300 0.002 0.000 0.861 5 R HN 0.721 nan 8.270 nan 0.000 0.440 6 Q N 1.122 120.962 119.800 0.067 0.000 2.050 6 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 6 Q C 2.051 178.090 176.000 0.064 0.000 0.980 6 Q CA 1.919 57.758 55.803 0.059 0.000 0.840 6 Q CB -0.187 28.571 28.738 0.033 0.000 0.898 6 Q HN 0.146 nan 8.270 nan 0.000 0.424 7 Q N -1.112 118.725 119.800 0.062 0.000 2.124 7 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 7 Q C 1.781 177.810 176.000 0.048 0.000 0.977 7 Q CA 1.810 57.635 55.803 0.037 0.000 0.850 7 Q CB -0.724 28.037 28.738 0.038 0.000 0.901 7 Q HN 0.619 nan 8.270 nan 0.000 0.429 8 Y N 0.006 120.330 120.300 0.039 0.000 2.097 8 Y HA -0.210 4.339 4.550 -0.000 0.000 0.282 8 Y C 2.077 178.047 175.900 0.118 0.000 1.152 8 Y CA 2.222 60.401 58.100 0.132 0.000 1.136 8 Y CB -0.640 37.880 38.460 0.100 0.000 0.975 8 Y HN 0.204 nan 8.280 nan 0.000 0.498 9 A N -0.029 122.948 122.820 0.261 0.000 1.930 9 A HA -0.173 4.146 4.320 -0.000 0.000 0.217 9 A C 2.037 179.641 177.584 0.033 0.000 1.175 9 A CA 1.760 53.909 52.037 0.187 0.000 0.627 9 A CB -0.686 18.419 19.000 0.175 0.000 0.815 9 A HN 0.639 nan 8.150 nan 0.000 0.443 10 E N -0.058 120.133 120.200 -0.016 0.000 2.077 10 E HA -0.119 4.230 4.350 -0.000 0.000 0.193 10 E C 2.269 178.764 176.600 -0.175 0.000 0.989 10 E CA 1.488 57.846 56.400 -0.069 0.000 0.800 10 E CB -0.102 29.565 29.700 -0.055 0.000 0.746 10 E HN 0.610 nan 8.360 nan 0.000 0.452 11 S N -0.226 115.261 115.700 -0.354 0.000 2.362 11 S HA -0.055 4.415 4.470 -0.000 0.000 0.221 11 S C 1.128 175.294 174.600 -0.724 0.000 1.032 11 S CA 0.872 58.670 58.200 -0.669 0.000 0.973 11 S CB -0.009 62.489 63.200 -1.169 0.000 0.849 11 S HN 0.289 nan 8.310 nan 0.000 0.465 12 Y N 0.958 121.109 120.300 -0.249 0.000 2.500 12 Y HA 0.475 5.025 4.550 -0.000 0.000 0.246 12 Y C 1.210 177.085 175.900 -0.042 0.000 1.146 12 Y CA -0.205 57.772 58.100 -0.206 0.000 1.230 12 Y CB 0.106 38.283 38.460 -0.471 0.000 1.214 12 Y HN 0.322 nan 8.280 nan 0.000 0.526 13 G N 1.287 110.139 108.800 0.086 0.000 2.746 13 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.685 13 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.685 13 G C -2.981 172.062 174.900 0.238 0.000 1.350 13 G CA -1.213 43.967 45.100 0.134 0.000 0.837 13 G HN -0.060 nan 8.290 nan 0.000 0.564 14 P HA 0.461 nan 4.420 nan 0.000 0.272 14 P C 0.083 177.543 177.300 0.267 0.000 1.230 14 P CA 0.308 63.543 63.100 0.225 0.000 0.788 14 P CB 1.620 33.404 31.700 0.140 0.000 0.949 15 T N -0.411 114.277 114.554 0.223 0.000 2.831 15 T HA 0.313 4.663 4.350 -0.000 0.000 0.287 15 T C -0.556 174.205 174.700 0.102 0.000 1.070 15 T CA -0.766 61.442 62.100 0.180 0.000 1.010 15 T CB 0.713 69.660 68.868 0.133 0.000 1.264 15 T HN 0.094 nan 8.240 nan 0.000 0.532 16 V N 2.426 122.399 119.914 0.099 0.000 2.678 16 V HA 0.311 4.431 4.120 -0.000 0.000 0.304 16 V C 1.932 178.051 176.094 0.042 0.000 1.086 16 V CA 1.568 63.911 62.300 0.070 0.000 1.246 16 V CB -0.232 31.626 31.823 0.058 0.000 0.861 16 V HN 1.369 nan 8.190 nan 0.000 0.491 17 G N 3.449 112.274 108.800 0.041 0.000 2.268 17 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.240 17 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.240 17 G C -0.033 174.880 174.900 0.022 0.000 1.010 17 G CA 0.099 45.212 45.100 0.022 0.000 0.618 17 G HN 0.695 nan 8.290 nan 0.000 0.516 18 D N 1.739 122.162 120.400 0.040 0.000 2.372 18 D HA 0.514 5.154 4.640 -0.000 0.000 0.243 18 D C 0.609 176.950 176.300 0.068 0.000 1.121 18 D CA 0.411 54.441 54.000 0.050 0.000 0.898 18 D CB 0.843 41.690 40.800 0.077 0.000 1.202 18 D HN 0.593 nan 8.370 nan 0.000 0.428 19 E N -0.032 120.219 120.200 0.085 0.000 2.244 19 E HA 0.592 4.941 4.350 -0.000 0.000 0.266 19 E C -0.957 175.801 176.600 0.264 0.000 0.914 19 E CA -1.033 55.465 56.400 0.162 0.000 0.794 19 E CB 2.407 32.197 29.700 0.150 0.000 1.210 19 E HN 0.049 nan 8.360 nan 0.000 0.414 20 V N 1.833 121.897 119.914 0.251 0.000 2.638 20 V HA 0.359 4.479 4.120 -0.000 0.000 0.306 20 V C -0.169 175.852 176.094 -0.122 0.000 1.052 20 V CA -0.906 61.456 62.300 0.104 0.000 0.885 20 V CB 1.837 33.637 31.823 -0.037 0.000 0.999 20 V HN 0.578 nan 8.190 nan 0.000 0.424 21 R N 3.620 123.850 120.500 -0.449 0.000 2.438 21 R HA 0.483 4.823 4.340 -0.000 0.000 0.287 21 R C -0.874 175.086 176.300 -0.567 0.000 1.077 21 R CA -0.534 55.001 56.100 -0.942 0.000 1.034 21 R CB 0.611 30.234 30.300 -1.127 0.000 0.993 21 R HN 0.696 nan 8.270 nan 0.000 0.459 22 L N 5.986 126.866 121.223 -0.572 0.000 2.295 22 L HA 0.235 4.575 4.340 -0.000 0.000 0.288 22 L C 1.137 177.844 176.870 -0.271 0.000 1.079 22 L CA 0.170 54.723 54.840 -0.478 0.000 0.830 22 L CB 0.515 42.204 42.059 -0.617 0.000 1.200 22 L HN 1.083 nan 8.230 nan 0.000 0.438 23 A N 4.049 126.771 122.820 -0.163 0.000 5.584 23 A HA -0.317 4.003 4.320 -0.000 0.000 0.303 23 A C 0.838 178.378 177.584 -0.074 0.000 1.923 23 A CA 1.396 53.391 52.037 -0.071 0.000 0.717 23 A CB -1.086 17.862 19.000 -0.087 0.000 1.281 23 A HN 0.965 nan 8.150 nan 0.000 0.379 24 D N 0.098 120.513 120.400 0.025 0.000 2.427 24 D HA 0.326 4.965 4.640 -0.000 0.000 0.224 24 D C 0.759 177.035 176.300 -0.039 0.000 1.157 24 D CA 1.041 55.040 54.000 -0.003 0.000 0.828 24 D CB -1.126 39.715 40.800 0.068 0.000 0.974 24 D HN 1.103 nan 8.370 nan 0.000 0.498 25 T N -2.806 111.692 114.554 -0.093 0.000 2.770 25 T HA 0.181 4.531 4.350 -0.000 0.000 0.281 25 T C 0.523 175.121 174.700 -0.169 0.000 0.981 25 T CA -0.415 61.629 62.100 -0.094 0.000 0.955 25 T CB 1.165 69.983 68.868 -0.083 0.000 1.060 25 T HN -0.293 nan 8.240 nan 0.000 0.531 26 D N -0.283 120.052 120.400 -0.109 0.000 2.339 26 D HA 0.257 4.897 4.640 -0.000 0.000 0.217 26 D C 0.132 176.346 176.300 -0.144 0.000 1.050 26 D CA 0.107 54.062 54.000 -0.075 0.000 0.856 26 D CB -0.290 40.535 40.800 0.043 0.000 0.922 26 D HN 0.422 nan 8.370 nan 0.000 0.518 27 L N 0.380 121.458 121.223 -0.243 0.000 2.331 27 L HA 0.287 4.627 4.340 -0.000 0.000 0.278 27 L C -0.508 176.119 176.870 -0.404 0.000 1.106 27 L CA -0.406 54.324 54.840 -0.184 0.000 0.824 27 L CB 0.741 42.721 42.059 -0.132 0.000 1.142 27 L HN -0.095 nan 8.230 nan 0.000 0.443 28 W N 4.974 126.230 121.300 -0.074 0.000 2.600 28 W HA 0.588 5.248 4.660 -0.000 0.000 0.325 28 W C -0.198 176.263 176.519 -0.097 0.000 1.034 28 W CA -0.517 56.776 57.345 -0.088 0.000 1.226 28 W CB 1.410 30.839 29.460 -0.051 0.000 1.379 28 W HN 0.235 nan 8.180 nan 0.000 0.466 29 I N -0.285 120.322 120.570 0.062 0.000 2.460 29 I HA 0.640 4.810 4.170 -0.000 0.000 0.298 29 I C -0.478 175.676 176.117 0.062 0.000 0.989 29 I CA -1.017 60.285 61.300 0.004 0.000 1.173 29 I CB 2.064 39.981 38.000 -0.138 0.000 1.338 29 I HN 0.406 nan 8.210 nan 0.000 0.456 30 E N 4.477 124.711 120.200 0.057 0.000 2.199 30 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 30 E C -1.221 175.416 176.600 0.062 0.000 0.899 30 E CA -0.946 55.492 56.400 0.064 0.000 0.772 30 E CB 2.275 32.010 29.700 0.059 0.000 1.155 30 E HN 0.621 nan 8.360 nan 0.000 0.408 31 V N 4.825 124.782 119.914 0.071 0.000 2.493 31 V HA -0.048 4.072 4.120 -0.000 0.000 0.292 31 V C 0.916 177.069 176.094 0.100 0.000 1.016 31 V CA 0.755 63.111 62.300 0.094 0.000 1.097 31 V CB 0.807 32.693 31.823 0.105 0.000 0.947 31 V HN 0.870 nan 8.190 nan 0.000 0.479 32 E N 3.438 123.717 120.200 0.132 0.000 2.166 32 E HA 0.076 4.426 4.350 -0.000 0.000 0.192 32 E C 0.541 177.188 176.600 0.080 0.000 0.967 32 E CA 0.517 56.981 56.400 0.107 0.000 0.840 32 E CB 0.376 30.153 29.700 0.128 0.000 0.795 32 E HN 0.825 nan 8.360 nan 0.000 0.470 33 K N -0.402 120.065 120.400 0.112 0.000 2.578 33 K HA 0.385 4.705 4.320 -0.000 0.000 0.287 33 K C -1.858 174.798 176.600 0.094 0.000 1.010 33 K CA -0.905 55.397 56.287 0.025 0.000 0.889 33 K CB 1.900 34.339 32.500 -0.103 0.000 1.514 33 K HN -0.249 nan 8.250 nan 0.000 0.424 34 D N 0.494 120.881 120.400 -0.023 0.000 2.936 34 D HA 0.262 4.902 4.640 -0.000 0.000 0.238 34 D C -0.784 175.463 176.300 -0.088 0.000 1.248 34 D CA -0.462 53.573 54.000 0.058 0.000 0.903 34 D CB 1.126 41.964 40.800 0.062 0.000 1.544 34 D HN 0.598 nan 8.370 nan 0.000 0.543 35 Y N 1.248 121.574 120.300 0.044 0.000 2.529 35 Y HA 0.061 4.611 4.550 -0.000 0.000 0.290 35 Y C 1.750 177.627 175.900 -0.039 0.000 1.177 35 Y CA 0.388 58.492 58.100 0.006 0.000 1.305 35 Y CB 0.331 38.825 38.460 0.057 0.000 1.047 35 Y HN 0.259 nan 8.280 nan 0.000 0.522 36 T N -0.170 114.406 114.554 0.037 0.000 2.726 36 T HA 0.138 4.488 4.350 -0.000 0.000 0.294 36 T C 0.179 174.775 174.700 -0.173 0.000 1.013 36 T CA -0.010 62.069 62.100 -0.036 0.000 0.996 36 T CB 0.473 69.340 68.868 -0.003 0.000 1.016 36 T HN -0.021 nan 8.240 nan 0.000 0.529 37 T N 3.146 117.627 114.554 -0.122 0.000 2.809 37 T HA 0.359 4.709 4.350 -0.000 0.000 0.296 37 T C -1.080 173.580 174.700 -0.066 0.000 1.015 37 T CA -0.298 61.721 62.100 -0.136 0.000 0.954 37 T CB -0.062 68.777 68.868 -0.048 0.000 0.950 37 T HN 0.422 nan 8.240 nan 0.000 0.450 38 Y N 2.034 122.332 120.300 -0.004 0.000 2.721 38 Y HA 0.310 4.860 4.550 -0.000 0.000 0.329 38 Y C 1.688 177.585 175.900 -0.006 0.000 1.211 38 Y CA 1.103 59.203 58.100 -0.001 0.000 1.512 38 Y CB -0.216 38.233 38.460 -0.018 0.000 1.249 38 Y HN 1.000 nan 8.280 nan 0.000 0.549 39 G N 2.441 111.324 108.800 0.139 0.000 2.254 39 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.225 39 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.225 39 G C 0.570 175.485 174.900 0.026 0.000 1.003 39 G CA 0.191 45.328 45.100 0.062 0.000 0.622 39 G HN 0.553 nan 8.290 nan 0.000 0.507 40 D N 1.336 121.748 120.400 0.020 0.000 2.501 40 D HA 0.337 4.977 4.640 -0.000 0.000 0.226 40 D C 0.642 176.946 176.300 0.006 0.000 1.198 40 D CA -0.103 53.907 54.000 0.017 0.000 0.830 40 D CB 0.331 41.145 40.800 0.023 0.000 1.014 40 D HN 0.525 nan 8.370 nan 0.000 0.496 41 E N 0.125 120.300 120.200 -0.041 0.000 2.534 41 E HA 0.028 4.378 4.350 -0.000 0.000 0.264 41 E C 0.120 176.740 176.600 0.034 0.000 0.981 41 E CA 0.227 56.600 56.400 -0.045 0.000 0.948 41 E CB 0.903 30.445 29.700 -0.263 0.000 0.934 41 E HN -0.097 nan 8.360 nan 0.000 0.459 42 V N 3.237 123.193 119.914 0.071 0.000 2.732 42 V HA 0.424 4.544 4.120 -0.000 0.000 0.297 42 V C -0.078 176.097 176.094 0.134 0.000 1.060 42 V CA -0.552 61.806 62.300 0.097 0.000 1.038 42 V CB 0.830 32.708 31.823 0.092 0.000 1.003 42 V HN 0.905 nan 8.190 nan 0.000 0.481 43 N N 1.748 120.535 118.700 0.145 0.000 3.127 43 N HA 0.588 5.328 4.740 -0.000 0.000 0.239 43 N C -1.402 174.219 175.510 0.185 0.000 1.407 43 N CA -0.784 52.364 53.050 0.165 0.000 0.891 43 N CB 1.526 40.105 38.487 0.153 0.000 1.447 43 N HN 0.564 nan 8.380 nan 0.000 0.507 44 F N -0.117 119.856 119.950 0.037 0.000 2.556 44 F HA 0.904 5.430 4.527 -0.000 0.000 0.314 44 F C 0.219 176.029 175.800 0.017 0.000 1.106 44 F CA 0.476 58.491 58.000 0.025 0.000 0.911 44 F CB 1.531 40.543 39.000 0.021 0.000 1.190 44 F HN 1.030 nan 8.300 nan 0.000 0.448 45 G N 2.481 110.637 108.800 -1.074 0.000 2.352 45 G HA2 0.363 4.323 3.960 -0.000 0.000 0.283 45 G HA3 0.363 4.323 3.960 -0.000 0.000 0.283 45 G C -0.865 173.752 174.900 -0.471 0.000 1.308 45 G CA -0.407 44.259 45.100 -0.723 0.000 0.892 45 G HN 1.087 nan 8.290 nan 0.000 0.504 46 G N -0.735 107.905 108.800 -0.266 0.000 2.354 46 G HA2 0.556 4.516 3.960 -0.000 0.000 0.266 46 G HA3 0.556 4.516 3.960 -0.000 0.000 0.266 46 G C 1.393 176.218 174.900 -0.126 0.000 1.242 46 G CA 1.638 46.636 45.100 -0.170 0.000 0.923 46 G HN 2.415 nan 8.290 nan 0.000 0.476 47 G N 1.482 110.220 108.800 -0.105 0.000 2.153 47 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.252 47 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.252 47 G C 0.610 175.474 174.900 -0.061 0.000 0.994 47 G CA 0.792 45.852 45.100 -0.067 0.000 0.698 47 G HN 0.746 nan 8.290 nan 0.000 0.521 48 K N -0.841 119.501 120.400 -0.096 0.000 2.240 48 K HA 0.592 4.912 4.320 -0.000 0.000 0.237 48 K C 1.582 178.164 176.600 -0.029 0.000 1.027 48 K CA -0.328 55.921 56.287 -0.062 0.000 0.937 48 K CB 1.291 33.732 32.500 -0.099 0.000 1.171 48 K HN -0.039 nan 8.250 nan 0.000 0.479 49 V N 0.784 120.708 119.914 0.017 0.000 2.548 49 V HA -0.113 4.007 4.120 -0.000 0.000 0.249 49 V C 1.260 177.386 176.094 0.053 0.000 1.055 49 V CA 1.260 63.584 62.300 0.040 0.000 1.065 49 V CB -0.251 31.610 31.823 0.063 0.000 0.681 49 V HN 0.422 nan 8.190 nan 0.000 0.462 50 L N 2.289 123.561 121.223 0.082 0.000 2.399 50 L HA 0.330 4.670 4.340 -0.000 0.000 0.257 50 L C 0.203 177.144 176.870 0.117 0.000 1.236 50 L CA 0.336 55.252 54.840 0.125 0.000 1.144 50 L CB -0.421 41.767 42.059 0.215 0.000 1.379 50 L HN 0.236 nan 8.230 nan 0.000 0.414 51 R N 1.079 121.618 120.500 0.065 0.000 2.673 51 R HA 0.236 4.576 4.340 -0.000 0.000 0.281 51 R C -0.415 175.907 176.300 0.036 0.000 0.991 51 R CA -0.952 55.173 56.100 0.042 0.000 0.896 51 R CB 2.518 32.820 30.300 0.004 0.000 1.201 51 R HN 0.220 nan 8.270 nan 0.000 0.457 52 E N 1.170 121.389 120.200 0.032 0.000 2.558 52 E HA -0.077 4.272 4.350 -0.000 0.000 0.255 52 E C 0.590 177.196 176.600 0.010 0.000 0.968 52 E CA 1.758 58.170 56.400 0.021 0.000 0.939 52 E CB 0.555 30.264 29.700 0.016 0.000 0.921 52 E HN 0.833 nan 8.360 nan 0.000 0.477 53 G N 3.665 112.468 108.800 0.005 0.000 2.217 53 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.246 53 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.246 53 G C 0.686 175.591 174.900 0.008 0.000 0.990 53 G CA 0.663 45.763 45.100 -0.000 0.000 0.627 53 G HN 0.521 nan 8.290 nan 0.000 0.522 54 M N -0.785 118.826 119.600 0.017 0.000 2.307 54 M HA 0.504 4.984 4.480 -0.000 0.000 0.211 54 M C 2.369 178.690 176.300 0.035 0.000 1.484 54 M CA 0.722 56.036 55.300 0.023 0.000 1.869 54 M CB -0.395 32.218 32.600 0.021 0.000 1.103 54 M HN 0.130 nan 8.290 nan 0.000 0.901 55 G N 0.239 109.065 108.800 0.044 0.000 2.650 55 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.214 55 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.214 55 G C 0.253 175.192 174.900 0.064 0.000 1.136 55 G CA 0.121 45.255 45.100 0.056 0.000 0.789 55 G HN 0.559 nan 8.290 nan 0.000 0.536 56 E N 1.001 121.238 120.200 0.061 0.000 2.133 56 E HA 0.159 4.509 4.350 -0.000 0.000 0.274 56 E C -0.523 176.104 176.600 0.045 0.000 0.930 56 E CA -0.856 55.582 56.400 0.063 0.000 0.770 56 E CB 0.458 30.201 29.700 0.072 0.000 1.104 56 E HN 0.095 nan 8.360 nan 0.000 0.403 57 N N 3.199 121.930 118.700 0.052 0.000 2.475 57 N HA 0.052 4.792 4.740 -0.000 0.000 0.267 57 N C 0.139 175.645 175.510 -0.007 0.000 1.169 57 N CA 0.315 53.380 53.050 0.025 0.000 0.947 57 N CB 1.327 39.864 38.487 0.085 0.000 1.061 57 N HN 0.702 nan 8.380 nan 0.000 0.466 58 G N 1.925 110.693 108.800 -0.053 0.000 3.393 58 G HA2 0.027 3.987 3.960 -0.000 0.000 0.255 58 G HA3 0.027 3.987 3.960 -0.000 0.000 0.255 58 G C 0.794 175.633 174.900 -0.102 0.000 1.097 58 G CA 0.014 45.083 45.100 -0.051 0.000 0.780 58 G HN 0.600 nan 8.290 nan 0.000 0.540 59 T N -0.355 114.071 114.554 -0.212 0.000 3.056 59 T HA 0.180 4.530 4.350 -0.000 0.000 0.241 59 T C 0.257 174.783 174.700 -0.290 0.000 1.006 59 T CA 0.209 62.108 62.100 -0.335 0.000 1.115 59 T CB 0.087 68.579 68.868 -0.626 0.000 0.939 59 T HN 0.119 nan 8.240 nan 0.000 0.462 60 Y N 3.326 123.634 120.300 0.013 0.000 2.309 60 Y HA 0.385 4.934 4.550 -0.000 0.000 0.327 60 Y C 1.409 177.316 175.900 0.012 0.000 1.172 60 Y CA -1.540 56.567 58.100 0.013 0.000 1.280 60 Y CB 0.000 38.468 38.460 0.013 0.000 1.234 60 Y HN 0.079 nan 8.280 nan 0.000 0.512 61 T N -0.654 114.017 114.554 0.194 0.000 2.813 61 T HA 0.137 4.487 4.350 -0.000 0.000 0.297 61 T C 1.428 176.186 174.700 0.097 0.000 1.036 61 T CA -0.642 61.523 62.100 0.108 0.000 1.044 61 T CB 0.835 69.750 68.868 0.079 0.000 0.993 61 T HN 0.814 nan 8.240 nan 0.000 0.535 62 R N 0.283 120.819 120.500 0.061 0.000 2.103 62 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 62 R C 2.439 178.760 176.300 0.035 0.000 1.142 62 R CA 2.246 58.373 56.100 0.046 0.000 0.960 62 R CB -1.192 29.128 30.300 0.033 0.000 0.858 62 R HN 0.950 nan 8.270 nan 0.000 0.439 63 T N -1.801 112.771 114.554 0.029 0.000 3.007 63 T HA -0.066 4.284 4.350 -0.000 0.000 0.270 63 T C 0.498 175.193 174.700 -0.008 0.000 1.107 63 T CA 0.845 62.953 62.100 0.013 0.000 1.118 63 T CB -0.091 68.784 68.868 0.011 0.000 0.889 63 T HN 0.377 nan 8.240 nan 0.000 0.506 64 E N 2.363 122.558 120.200 -0.008 0.000 2.122 64 E HA 0.243 4.593 4.350 -0.000 0.000 0.288 64 E C -0.220 176.286 176.600 -0.157 0.000 1.260 64 E CA -0.521 55.823 56.400 -0.093 0.000 1.344 64 E CB -0.229 29.419 29.700 -0.088 0.000 1.337 64 E HN 0.275 nan 8.360 nan 0.000 0.484 65 N N 0.092 118.730 118.700 -0.102 0.000 2.741 65 N HA -0.157 4.583 4.740 -0.000 0.000 0.250 65 N C -0.783 174.709 175.510 -0.029 0.000 1.115 65 N CA 0.571 53.572 53.050 -0.083 0.000 0.724 65 N CB -1.038 37.363 38.487 -0.143 0.000 1.090 65 N HN 0.148 nan 8.380 nan 0.000 0.558 66 V N 1.323 121.241 119.914 0.006 0.000 2.472 66 V HA 0.427 4.546 4.120 -0.000 0.000 0.290 66 V C 0.961 177.072 176.094 0.029 0.000 1.037 66 V CA -0.679 61.645 62.300 0.040 0.000 0.908 66 V CB 2.083 33.950 31.823 0.073 0.000 0.985 66 V HN 0.071 nan 8.190 nan 0.000 0.454 67 L N 2.886 124.126 121.223 0.029 0.000 2.399 67 L HA 0.383 4.723 4.340 -0.000 0.000 0.266 67 L C 1.025 177.903 176.870 0.014 0.000 1.114 67 L CA -0.467 54.385 54.840 0.020 0.000 0.804 67 L CB 0.727 42.796 42.059 0.017 0.000 1.146 67 L HN 0.616 nan 8.230 nan 0.000 0.451 68 D N 0.950 121.355 120.400 0.009 0.000 2.194 68 D HA 0.073 4.713 4.640 -0.000 0.000 0.204 68 D C -0.043 176.246 176.300 -0.019 0.000 0.964 68 D CA 1.208 55.206 54.000 -0.002 0.000 0.846 68 D CB 0.452 41.252 40.800 0.000 0.000 0.962 68 D HN 0.104 nan 8.370 nan 0.000 0.490 69 L N 0.335 121.546 121.223 -0.019 0.000 2.526 69 L HA 0.419 4.759 4.340 -0.000 0.000 0.263 69 L C -2.074 174.783 176.870 -0.022 0.000 0.943 69 L CA -0.893 53.927 54.840 -0.033 0.000 0.859 69 L CB 2.099 44.132 42.059 -0.044 0.000 1.313 69 L HN -0.231 nan 8.230 nan 0.000 0.406 70 L N 5.076 126.284 121.223 -0.024 0.000 2.325 70 L HA 0.663 5.003 4.340 -0.000 0.000 0.281 70 L C -1.486 175.378 176.870 -0.010 0.000 1.004 70 L CA -0.245 54.590 54.840 -0.007 0.000 0.823 70 L CB 1.527 43.592 42.059 0.011 0.000 1.236 70 L HN 0.617 nan 8.230 nan 0.000 0.415 71 L N 4.685 125.907 121.223 -0.002 0.000 2.261 71 L HA 0.461 4.801 4.340 -0.000 0.000 0.289 71 L C 0.522 177.409 176.870 0.029 0.000 1.059 71 L CA 0.020 54.864 54.840 0.006 0.000 0.816 71 L CB 1.138 43.198 42.059 0.003 0.000 1.191 71 L HN 0.741 nan 8.230 nan 0.000 0.431 72 T N -0.170 114.411 114.554 0.045 0.000 2.889 72 T HA 0.299 4.649 4.350 -0.000 0.000 0.291 72 T C 0.575 175.325 174.700 0.083 0.000 0.995 72 T CA -0.717 61.426 62.100 0.072 0.000 1.092 72 T CB 0.645 69.570 68.868 0.096 0.000 0.954 72 T HN 0.593 nan 8.240 nan 0.000 0.506 73 N N -0.269 118.491 118.700 0.099 0.000 2.740 73 N HA -0.149 4.591 4.740 -0.000 0.000 0.248 73 N C 0.030 175.597 175.510 0.096 0.000 1.062 73 N CA 0.806 53.929 53.050 0.121 0.000 0.704 73 N CB -1.677 36.900 38.487 0.150 0.000 0.968 73 N HN 1.134 nan 8.380 nan 0.000 0.547 74 A N 0.219 123.078 122.820 0.065 0.000 2.388 74 A HA 0.481 4.800 4.320 -0.000 0.000 0.257 74 A C 0.549 178.141 177.584 0.013 0.000 1.095 74 A CA -0.417 51.642 52.037 0.036 0.000 0.791 74 A CB 0.613 19.616 19.000 0.006 0.000 1.029 74 A HN 0.318 nan 8.150 nan 0.000 0.489 75 L N 4.223 125.452 121.223 0.010 0.000 2.270 75 L HA 0.451 4.791 4.340 -0.000 0.000 0.286 75 L C -0.494 176.323 176.870 -0.088 0.000 1.059 75 L CA -0.055 54.766 54.840 -0.031 0.000 0.839 75 L CB -0.205 41.852 42.059 -0.002 0.000 1.221 75 L HN 0.548 nan 8.230 nan 0.000 0.431 76 I N 5.695 126.124 120.570 -0.234 0.000 2.416 76 I HA 0.182 4.352 4.170 -0.000 0.000 0.288 76 I C -0.250 175.750 176.117 -0.195 0.000 1.051 76 I CA 0.014 61.147 61.300 -0.277 0.000 1.375 76 I CB 0.957 38.580 38.000 -0.629 0.000 1.407 76 I HN 0.475 nan 8.210 nan 0.000 0.516 77 L N 7.066 128.254 121.223 -0.059 0.000 2.316 77 L HA 0.542 4.881 4.340 -0.000 0.000 0.280 77 L C -1.388 175.527 176.870 0.075 0.000 1.006 77 L CA -0.077 54.755 54.840 -0.015 0.000 0.836 77 L CB 1.346 43.369 42.059 -0.060 0.000 1.221 77 L HN 0.659 nan 8.230 nan 0.000 0.418 78 D N 1.016 121.466 120.400 0.083 0.000 2.599 78 D HA 0.144 4.784 4.640 -0.000 0.000 0.252 78 D C 0.323 176.718 176.300 0.158 0.000 1.232 78 D CA -0.415 53.661 54.000 0.127 0.000 0.819 78 D CB 1.076 41.931 40.800 0.091 0.000 1.401 78 D HN 0.411 nan 8.370 nan 0.000 0.429 79 Y N -0.150 120.253 120.300 0.171 0.000 2.274 79 Y HA -0.078 4.472 4.550 -0.000 0.000 0.290 79 Y C 1.816 177.977 175.900 0.436 0.000 1.145 79 Y CA 1.931 60.222 58.100 0.319 0.000 1.203 79 Y CB -1.276 37.399 38.460 0.358 0.000 0.984 79 Y HN 0.308 nan 8.280 nan 0.000 0.533 80 T N -2.516 111.794 114.554 -0.405 0.000 3.085 80 T HA 0.479 4.829 4.350 -0.000 0.000 0.263 80 T C 0.898 175.655 174.700 0.095 0.000 1.127 80 T CA 0.394 62.329 62.100 -0.275 0.000 1.103 80 T CB -0.518 68.137 68.868 -0.355 0.000 0.921 80 T HN 0.886 nan 8.240 nan 0.000 0.510 81 G N 0.144 109.067 108.800 0.204 0.000 2.352 81 G HA2 0.393 4.353 3.960 -0.000 0.000 0.302 81 G HA3 0.393 4.353 3.960 -0.000 0.000 0.302 81 G C -1.924 173.164 174.900 0.313 0.000 1.370 81 G CA -1.119 44.158 45.100 0.296 0.000 0.918 81 G HN 0.306 nan 8.290 nan 0.000 0.610 82 I N 2.115 122.850 120.570 0.276 0.000 2.464 82 I HA 0.523 4.692 4.170 -0.000 0.000 0.277 82 I C -0.490 175.756 176.117 0.215 0.000 1.040 82 I CA -0.678 60.701 61.300 0.132 0.000 1.153 82 I CB 0.860 38.889 38.000 0.050 0.000 1.274 82 I HN 0.680 nan 8.210 nan 0.000 0.469 83 Y N 3.736 124.082 120.300 0.078 0.000 2.689 83 Y HA 0.686 5.236 4.550 -0.000 0.000 0.333 83 Y C -1.302 174.678 175.900 0.133 0.000 1.208 83 Y CA -1.687 56.481 58.100 0.113 0.000 1.055 83 Y CB 0.983 39.539 38.460 0.160 0.000 1.304 83 Y HN 0.204 nan 8.280 nan 0.000 0.455 84 K N 1.777 122.347 120.400 0.283 0.000 2.185 84 K HA 0.896 5.216 4.320 -0.000 0.000 0.269 84 K C -1.252 175.554 176.600 0.343 0.000 0.987 84 K CA 0.002 56.412 56.287 0.204 0.000 0.865 84 K CB 1.294 33.923 32.500 0.215 0.000 1.090 84 K HN 1.150 nan 8.250 nan 0.000 0.450 85 A N 3.173 126.111 122.820 0.197 0.000 2.601 85 A HA 0.416 4.735 4.320 -0.000 0.000 0.291 85 A C -1.691 175.944 177.584 0.086 0.000 1.075 85 A CA -0.976 51.175 52.037 0.190 0.000 0.671 85 A CB 0.827 19.918 19.000 0.151 0.000 1.277 85 A HN 0.687 nan 8.150 nan 0.000 0.417 86 D N 0.450 120.892 120.400 0.070 0.000 2.304 86 D HA 0.546 5.185 4.640 -0.000 0.000 0.247 86 D C -0.482 175.824 176.300 0.010 0.000 1.089 86 D CA 0.556 54.582 54.000 0.043 0.000 0.910 86 D CB 1.148 41.978 40.800 0.049 0.000 1.199 86 D HN 0.408 nan 8.370 nan 0.000 0.426 87 I N 0.840 121.415 120.570 0.009 0.000 2.418 87 I HA 0.375 4.544 4.170 -0.000 0.000 0.287 87 I C 0.596 176.715 176.117 0.002 0.000 1.008 87 I CA -0.657 60.642 61.300 -0.001 0.000 1.104 87 I CB 2.079 40.078 38.000 -0.002 0.000 1.264 87 I HN 0.205 nan 8.210 nan 0.000 0.438 88 G N 5.632 114.434 108.800 0.003 0.000 2.372 88 G HA2 0.643 4.603 3.960 -0.000 0.000 0.323 88 G HA3 0.643 4.603 3.960 -0.000 0.000 0.323 88 G C -0.946 173.961 174.900 0.012 0.000 1.152 88 G CA -0.363 44.741 45.100 0.008 0.000 0.906 88 G HN 0.324 nan 8.290 nan 0.000 0.460 89 V N 1.836 121.753 119.914 0.006 0.000 2.628 89 V HA 0.724 4.843 4.120 -0.000 0.000 0.306 89 V C -0.031 176.075 176.094 0.020 0.000 1.045 89 V CA -0.812 61.493 62.300 0.007 0.000 0.905 89 V CB 1.946 33.751 31.823 -0.030 0.000 0.997 89 V HN 0.808 nan 8.190 nan 0.000 0.436 90 K N 2.080 122.510 120.400 0.050 0.000 2.557 90 K HA 0.313 4.633 4.320 -0.000 0.000 0.257 90 K C -0.886 175.777 176.600 0.105 0.000 0.933 90 K CA -0.535 55.787 56.287 0.058 0.000 0.820 90 K CB 1.580 34.109 32.500 0.049 0.000 1.330 90 K HN 0.737 nan 8.250 nan 0.000 0.432 91 D N 2.516 122.974 120.400 0.096 0.000 2.882 91 D HA -0.212 4.428 4.640 -0.000 0.000 0.229 91 D C 0.618 177.061 176.300 0.239 0.000 1.167 91 D CA 1.959 56.046 54.000 0.145 0.000 0.759 91 D CB -0.920 39.964 40.800 0.139 0.000 1.088 91 D HN 1.092 nan 8.370 nan 0.000 0.425 92 G N -1.433 107.436 108.800 0.114 0.000 2.199 92 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.254 92 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.254 92 G C 0.042 174.816 174.900 -0.210 0.000 0.982 92 G CA 0.564 45.637 45.100 -0.044 0.000 0.632 92 G HN 0.446 nan 8.290 nan 0.000 0.529 93 Y N -0.158 120.138 120.300 -0.006 0.000 2.487 93 Y HA 0.671 5.220 4.550 -0.000 0.000 0.337 93 Y C 1.099 177.004 175.900 0.008 0.000 1.076 93 Y CA -1.169 56.955 58.100 0.039 0.000 1.115 93 Y CB 1.114 39.640 38.460 0.110 0.000 1.235 93 Y HN 0.090 nan 8.280 nan 0.000 0.468 94 I N 3.421 124.077 120.570 0.143 0.000 2.494 94 I HA -0.008 4.162 4.170 -0.000 0.000 0.289 94 I C 0.913 177.104 176.117 0.123 0.000 1.106 94 I CA 0.128 61.486 61.300 0.095 0.000 1.369 94 I CB 0.317 38.365 38.000 0.080 0.000 1.410 94 I HN 0.594 nan 8.210 nan 0.000 0.523 95 V N 2.880 122.845 119.914 0.085 0.000 3.565 95 V HA 0.494 4.614 4.120 -0.000 0.000 0.260 95 V C 0.740 176.857 176.094 0.038 0.000 1.231 95 V CA 0.377 62.718 62.300 0.068 0.000 1.100 95 V CB 0.189 32.047 31.823 0.057 0.000 0.807 95 V HN 0.742 nan 8.190 nan 0.000 0.454 96 G N 0.371 109.186 108.800 0.025 0.000 2.760 96 G HA2 0.680 4.640 3.960 -0.000 0.000 0.296 96 G HA3 0.680 4.640 3.960 -0.000 0.000 0.296 96 G C -1.498 173.390 174.900 -0.020 0.000 1.427 96 G CA -0.590 44.511 45.100 0.001 0.000 1.109 96 G HN 0.181 nan 8.290 nan 0.000 0.553 97 I N 2.646 123.180 120.570 -0.060 0.000 2.382 97 I HA 0.730 4.900 4.170 -0.000 0.000 0.285 97 I C 0.791 176.744 176.117 -0.274 0.000 1.007 97 I CA -0.011 61.220 61.300 -0.115 0.000 1.142 97 I CB 1.674 39.627 38.000 -0.078 0.000 1.289 97 I HN 0.847 nan 8.210 nan 0.000 0.453 98 G N 5.507 114.175 108.800 -0.220 0.000 2.570 98 G HA2 0.149 4.109 3.960 -0.000 0.000 0.072 98 G HA3 0.149 4.109 3.960 -0.000 0.000 0.072 98 G C -1.421 173.488 174.900 0.014 0.000 1.030 98 G CA -0.368 44.608 45.100 -0.207 0.000 1.277 98 G HN 0.311 nan 8.290 nan 0.000 0.559 99 K N 1.091 121.524 120.400 0.054 0.000 2.507 99 K HA 0.615 4.935 4.320 -0.000 0.000 0.252 99 K C -0.399 176.231 176.600 0.051 0.000 0.943 99 K CA -0.112 56.218 56.287 0.072 0.000 0.808 99 K CB 1.240 33.791 32.500 0.085 0.000 1.142 99 K HN 0.808 nan 8.250 nan 0.000 0.426 100 G N 0.956 109.786 108.800 0.051 0.000 2.441 100 G HA2 0.763 4.723 3.960 -0.000 0.000 0.334 100 G HA3 0.763 4.723 3.960 -0.000 0.000 0.334 100 G C -0.055 174.878 174.900 0.056 0.000 1.161 100 G CA 0.054 45.182 45.100 0.048 0.000 0.935 100 G HN 0.802 nan 8.290 nan 0.000 0.488 101 G N 0.209 109.044 108.800 0.058 0.000 2.384 101 G HA2 0.202 4.162 3.960 -0.000 0.000 0.113 101 G HA3 0.202 4.162 3.960 -0.000 0.000 0.113 101 G C -1.386 173.556 174.900 0.069 0.000 1.224 101 G CA -0.214 44.924 45.100 0.064 0.000 1.126 101 G HN 1.041 nan 8.290 nan 0.000 0.461 102 N N 1.318 120.058 118.700 0.067 0.000 2.399 102 N HA 0.619 5.359 4.740 -0.000 0.000 0.284 102 N C -1.847 173.705 175.510 0.071 0.000 1.025 102 N CA -2.096 50.999 53.050 0.076 0.000 0.885 102 N CB 2.859 41.383 38.487 0.063 0.000 1.339 102 N HN 0.053 nan 8.380 nan 0.000 0.487 103 P HA 0.015 nan 4.420 nan 0.000 0.229 103 P C 0.318 177.660 177.300 0.071 0.000 1.160 103 P CA 0.652 63.799 63.100 0.078 0.000 0.777 103 P CB 0.548 32.303 31.700 0.091 0.000 0.814 104 D N 0.419 120.861 120.400 0.070 0.000 2.126 104 D HA -0.167 4.472 4.640 -0.000 0.000 0.190 104 D C 1.776 178.098 176.300 0.036 0.000 1.001 104 D CA 1.563 55.591 54.000 0.046 0.000 0.841 104 D CB -0.253 40.562 40.800 0.025 0.000 0.949 104 D HN 0.382 nan 8.370 nan 0.000 0.446 105 I N -4.885 115.707 120.570 0.036 0.000 4.442 105 I HA 0.255 4.425 4.170 -0.000 0.000 0.331 105 I C 0.121 176.257 176.117 0.031 0.000 1.364 105 I CA -0.275 61.042 61.300 0.029 0.000 1.207 105 I CB 0.360 38.375 38.000 0.025 0.000 1.298 105 I HN -0.254 nan 8.210 nan 0.000 0.463 106 M N 1.675 121.297 119.600 0.036 0.000 2.508 106 M HA 0.451 4.930 4.480 -0.000 0.000 0.327 106 M C -1.028 175.291 176.300 0.031 0.000 1.160 106 M CA -0.543 54.777 55.300 0.033 0.000 0.980 106 M CB 1.636 34.258 32.600 0.038 0.000 1.693 106 M HN -0.058 nan 8.290 nan 0.000 0.452 107 D N 0.765 121.180 120.400 0.024 0.000 2.283 107 D HA 0.413 5.052 4.640 -0.000 0.000 0.248 107 D C 0.871 177.183 176.300 0.019 0.000 1.072 107 D CA 0.651 54.663 54.000 0.019 0.000 0.929 107 D CB 1.288 42.095 40.800 0.012 0.000 1.182 107 D HN 0.897 nan 8.370 nan 0.000 0.433 108 G N 0.449 109.260 108.800 0.019 0.000 2.176 108 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.252 108 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.252 108 G C 0.104 175.026 174.900 0.037 0.000 1.024 108 G CA 0.043 45.156 45.100 0.022 0.000 0.755 108 G HN 0.421 nan 8.290 nan 0.000 0.507 109 V N 1.522 121.458 119.914 0.037 0.000 2.455 109 V HA 0.361 4.481 4.120 -0.000 0.000 0.273 109 V C 1.250 177.366 176.094 0.038 0.000 1.045 109 V CA 0.207 62.532 62.300 0.042 0.000 0.976 109 V CB 1.157 33.007 31.823 0.045 0.000 0.993 109 V HN 0.386 nan 8.190 nan 0.000 0.475 110 T N 9.476 124.053 114.554 0.039 0.000 2.867 110 T HA 0.062 4.412 4.350 -0.000 0.000 0.297 110 T C -1.389 173.322 174.700 0.017 0.000 0.989 110 T CA -0.430 61.687 62.100 0.029 0.000 1.159 110 T CB 0.880 69.761 68.868 0.020 0.000 0.928 110 T HN 0.554 nan 8.240 nan 0.000 0.538 111 P HA -0.108 nan 4.420 nan 0.000 0.218 111 P C 1.101 178.388 177.300 -0.021 0.000 1.148 111 P CA 0.925 64.021 63.100 -0.007 0.000 0.822 111 P CB 0.080 31.771 31.700 -0.014 0.000 0.784 112 N N -1.493 117.199 118.700 -0.013 0.000 2.279 112 N HA 0.067 4.807 4.740 -0.000 0.000 0.226 112 N C 0.317 175.827 175.510 -0.001 0.000 1.126 112 N CA 0.069 53.109 53.050 -0.016 0.000 0.846 112 N CB -0.511 37.969 38.487 -0.012 0.000 1.050 112 N HN 0.184 nan 8.380 nan 0.000 0.502 113 M N 0.944 120.549 119.600 0.008 0.000 2.959 113 M HA 0.381 4.860 4.480 -0.000 0.000 0.337 113 M C -0.505 175.814 176.300 0.033 0.000 1.220 113 M CA -0.302 55.010 55.300 0.019 0.000 0.893 113 M CB 0.580 33.191 32.600 0.018 0.000 1.322 113 M HN -0.055 nan 8.290 nan 0.000 0.519 114 I N 0.858 121.450 120.570 0.036 0.000 2.496 114 I HA 0.124 4.294 4.170 -0.000 0.000 0.285 114 I C 0.162 176.318 176.117 0.066 0.000 1.080 114 I CA -0.584 60.755 61.300 0.065 0.000 1.404 114 I CB 0.983 39.042 38.000 0.098 0.000 1.403 114 I HN -0.078 nan 8.210 nan 0.000 0.539 115 V N 6.699 126.654 119.914 0.070 0.000 2.427 115 V HA 0.422 4.541 4.120 -0.000 0.000 0.268 115 V C 0.808 176.947 176.094 0.075 0.000 1.046 115 V CA 0.032 62.371 62.300 0.065 0.000 0.970 115 V CB 0.462 32.326 31.823 0.068 0.000 1.001 115 V HN 0.994 nan 8.190 nan 0.000 0.476 116 G N 2.967 111.808 108.800 0.068 0.000 3.251 116 G HA2 0.393 4.353 3.960 -0.000 0.000 0.248 116 G HA3 0.393 4.353 3.960 -0.000 0.000 0.248 116 G C 0.741 175.671 174.900 0.050 0.000 1.320 116 G CA 0.188 45.330 45.100 0.071 0.000 0.982 116 G HN 0.447 nan 8.290 nan 0.000 0.575 117 T N 0.953 115.533 114.554 0.044 0.000 2.833 117 T HA -0.019 4.331 4.350 -0.000 0.000 0.269 117 T C 2.430 177.145 174.700 0.024 0.000 1.054 117 T CA 1.728 63.847 62.100 0.032 0.000 1.135 117 T CB -0.221 68.663 68.868 0.026 0.000 0.869 117 T HN 0.615 nan 8.240 nan 0.000 0.466 118 A N 1.124 123.960 122.820 0.026 0.000 2.206 118 A HA 0.146 4.465 4.320 -0.000 0.000 0.211 118 A C 1.189 178.775 177.584 0.004 0.000 1.158 118 A CA 0.345 52.391 52.037 0.016 0.000 0.761 118 A CB -0.327 18.688 19.000 0.024 0.000 0.801 118 A HN 0.391 nan 8.150 nan 0.000 0.473 119 T N 0.930 115.487 114.554 0.005 0.000 2.771 119 T HA 0.423 4.773 4.350 -0.000 0.000 0.291 119 T C -0.271 174.401 174.700 -0.047 0.000 0.954 119 T CA -0.314 61.780 62.100 -0.011 0.000 1.045 119 T CB 1.464 70.336 68.868 0.007 0.000 0.917 119 T HN 0.423 nan 8.240 nan 0.000 0.484 120 E N 2.311 122.469 120.200 -0.070 0.000 2.283 120 E HA 0.514 4.864 4.350 -0.000 0.000 0.271 120 E C -1.227 175.285 176.600 -0.147 0.000 1.031 120 E CA -0.639 55.687 56.400 -0.125 0.000 0.868 120 E CB 0.910 30.547 29.700 -0.106 0.000 1.094 120 E HN 0.326 nan 8.360 nan 0.000 0.401 121 V N 4.944 124.708 119.914 -0.251 0.000 2.588 121 V HA 0.444 4.563 4.120 -0.000 0.000 0.304 121 V C -0.287 175.687 176.094 -0.201 0.000 1.042 121 V CA -0.661 61.504 62.300 -0.226 0.000 0.877 121 V CB 1.548 33.182 31.823 -0.315 0.000 0.996 121 V HN 0.655 nan 8.190 nan 0.000 0.425 122 I N 3.639 124.150 120.570 -0.099 0.000 2.389 122 I HA 0.595 4.765 4.170 -0.000 0.000 0.288 122 I C 0.514 176.626 176.117 -0.009 0.000 0.999 122 I CA -0.602 60.663 61.300 -0.059 0.000 1.129 122 I CB 1.837 39.810 38.000 -0.046 0.000 1.288 122 I HN 0.706 nan 8.210 nan 0.000 0.444 123 A N 5.024 127.855 122.820 0.019 0.000 2.395 123 A HA 0.562 4.882 4.320 -0.000 0.000 0.286 123 A C 0.867 178.479 177.584 0.047 0.000 1.193 123 A CA -0.075 51.996 52.037 0.056 0.000 0.852 123 A CB 0.311 19.360 19.000 0.082 0.000 1.118 123 A HN 0.904 nan 8.150 nan 0.000 0.524 124 A N 2.879 125.731 122.820 0.053 0.000 2.348 124 A HA 0.243 4.563 4.320 -0.000 0.000 0.224 124 A C 0.745 178.369 177.584 0.068 0.000 1.227 124 A CA -0.193 51.877 52.037 0.054 0.000 0.885 124 A CB -0.143 18.886 19.000 0.048 0.000 0.933 124 A HN 0.823 nan 8.150 nan 0.000 0.506 125 E N 0.120 120.364 120.200 0.072 0.000 2.480 125 E HA 0.257 4.606 4.350 -0.000 0.000 0.258 125 E C 0.865 177.499 176.600 0.057 0.000 0.984 125 E CA 0.605 57.050 56.400 0.074 0.000 0.930 125 E CB -0.020 29.717 29.700 0.061 0.000 0.936 125 E HN 0.920 nan 8.360 nan 0.000 0.466 126 G N 2.760 111.598 108.800 0.064 0.000 2.176 126 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.253 126 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.253 126 G C -0.003 174.941 174.900 0.073 0.000 0.979 126 G CA 0.309 45.444 45.100 0.058 0.000 0.641 126 G HN 0.469 nan 8.290 nan 0.000 0.530 127 K N -0.064 120.387 120.400 0.085 0.000 2.166 127 K HA 0.714 5.034 4.320 -0.000 0.000 0.245 127 K C 0.148 176.818 176.600 0.117 0.000 0.967 127 K CA -0.894 55.464 56.287 0.118 0.000 0.863 127 K CB 1.838 34.407 32.500 0.115 0.000 1.107 127 K HN 0.214 nan 8.250 nan 0.000 0.436 128 I N 1.668 122.346 120.570 0.180 0.000 2.331 128 I HA 0.171 4.341 4.170 -0.000 0.000 0.292 128 I C -0.345 175.970 176.117 0.329 0.000 0.998 128 I CA -0.924 60.480 61.300 0.174 0.000 1.267 128 I CB 1.469 39.513 38.000 0.075 0.000 1.386 128 I HN 0.002 nan 8.210 nan 0.000 0.476 129 V N 5.245 125.288 119.914 0.214 0.000 2.417 129 V HA 0.522 4.642 4.120 -0.000 0.000 0.291 129 V C 0.253 176.494 176.094 0.245 0.000 1.024 129 V CA -0.417 62.015 62.300 0.221 0.000 0.861 129 V CB 1.604 33.484 31.823 0.095 0.000 0.985 129 V HN 0.881 nan 8.190 nan 0.000 0.436 130 T N 1.866 116.640 114.554 0.368 0.000 2.916 130 T HA 0.850 5.200 4.350 -0.000 0.000 0.292 130 T C 0.059 174.925 174.700 0.277 0.000 1.064 130 T CA -0.332 61.980 62.100 0.354 0.000 1.011 130 T CB 1.897 71.100 68.868 0.559 0.000 1.152 130 T HN 1.014 nan 8.240 nan 0.000 0.510 131 A N 0.641 123.605 122.820 0.240 0.000 2.492 131 A HA 0.578 4.898 4.320 -0.000 0.000 0.236 131 A C 1.049 178.788 177.584 0.259 0.000 1.078 131 A CA -0.005 52.157 52.037 0.208 0.000 0.773 131 A CB -0.834 18.280 19.000 0.191 0.000 1.023 131 A HN 1.402 nan 8.150 nan 0.000 0.504 132 G N 0.125 109.048 108.800 0.205 0.000 2.441 132 G HA2 0.475 4.435 3.960 -0.000 0.000 0.243 132 G HA3 0.475 4.435 3.960 -0.000 0.000 0.243 132 G C 0.554 175.614 174.900 0.267 0.000 1.281 132 G CA 0.191 45.419 45.100 0.213 0.000 0.854 132 G HN 1.208 nan 8.290 nan 0.000 0.560 133 G N 0.199 109.187 108.800 0.314 0.000 2.491 133 G HA2 0.417 4.377 3.960 -0.000 0.000 0.242 133 G HA3 0.417 4.377 3.960 -0.000 0.000 0.242 133 G C -0.071 174.978 174.900 0.248 0.000 1.266 133 G CA -0.499 44.825 45.100 0.373 0.000 0.844 133 G HN 0.490 nan 8.290 nan 0.000 0.571 134 I N 2.335 123.044 120.570 0.232 0.000 2.359 134 I HA 0.200 4.370 4.170 -0.000 0.000 0.284 134 I C -0.697 175.519 176.117 0.164 0.000 1.018 134 I CA -1.064 60.337 61.300 0.168 0.000 1.173 134 I CB 1.208 39.265 38.000 0.095 0.000 1.326 134 I HN 0.335 nan 8.210 nan 0.000 0.462 135 D N 4.807 125.306 120.400 0.165 0.000 2.359 135 D HA 0.250 4.890 4.640 -0.000 0.000 0.230 135 D C 0.981 177.393 176.300 0.186 0.000 1.118 135 D CA -0.118 53.968 54.000 0.143 0.000 0.844 135 D CB 1.276 42.134 40.800 0.097 0.000 1.059 135 D HN 0.600 nan 8.370 nan 0.000 0.493 136 T N 0.208 114.881 114.554 0.199 0.000 3.092 136 T HA 0.120 4.470 4.350 -0.000 0.000 0.258 136 T C 0.575 175.403 174.700 0.213 0.000 1.031 136 T CA -0.119 62.149 62.100 0.280 0.000 0.925 136 T CB -0.388 68.670 68.868 0.315 0.000 1.036 136 T HN 0.468 nan 8.240 nan 0.000 0.544 137 H N 0.708 119.724 119.070 -0.089 0.000 2.348 137 H HA 0.607 5.163 4.556 -0.000 0.000 0.232 137 H C -1.340 173.870 175.328 -0.197 0.000 1.419 137 H CA -0.517 55.304 56.048 -0.379 0.000 1.416 137 H CB 0.222 29.548 29.762 -0.727 0.000 1.510 137 H HN 0.092 nan 8.280 nan 0.000 0.507 138 V N 3.350 123.243 119.914 -0.036 0.000 2.459 138 V HA 0.170 4.289 4.120 -0.000 0.000 0.295 138 V C 0.043 175.930 176.094 -0.345 0.000 1.029 138 V CA -0.767 61.416 62.300 -0.194 0.000 0.874 138 V CB 1.409 32.978 31.823 -0.423 0.000 0.985 138 V HN 0.700 nan 8.190 nan 0.000 0.438 139 H N 4.414 123.360 119.070 -0.207 0.000 2.552 139 H HA 0.314 4.870 4.556 -0.000 0.000 0.311 139 H C -0.949 174.238 175.328 -0.235 0.000 1.071 139 H CA -0.294 55.671 56.048 -0.138 0.000 1.307 139 H CB 1.114 30.870 29.762 -0.010 0.000 1.416 139 H HN 0.492 nan 8.280 nan 0.000 0.464 140 F N 4.270 124.293 119.950 0.122 0.000 2.515 140 F HA 0.122 4.649 4.527 -0.000 0.000 0.353 140 F C 1.170 177.019 175.800 0.082 0.000 1.213 140 F CA -0.023 58.024 58.000 0.077 0.000 1.194 140 F CB -0.116 38.905 39.000 0.034 0.000 1.488 140 F HN 0.487 nan 8.300 nan 0.000 0.619 141 I N 0.665 121.352 120.570 0.196 0.000 3.565 141 I HA 0.076 4.246 4.170 -0.000 0.000 0.287 141 I C 0.286 176.464 176.117 0.101 0.000 1.193 141 I CA 0.236 61.615 61.300 0.133 0.000 1.402 141 I CB 0.412 38.465 38.000 0.087 0.000 1.284 141 I HN 0.309 nan 8.210 nan 0.000 0.454 142 N N 0.607 119.365 118.700 0.096 0.000 2.454 142 N HA 0.233 4.973 4.740 -0.000 0.000 0.291 142 N C -2.388 173.169 175.510 0.080 0.000 1.079 142 N CA -1.922 51.170 53.050 0.069 0.000 0.893 142 N CB 2.127 40.638 38.487 0.040 0.000 1.512 142 N HN -0.271 nan 8.380 nan 0.000 0.497 143 P HA -0.040 nan 4.420 nan 0.000 0.221 143 P C 0.173 177.505 177.300 0.054 0.000 1.145 143 P CA 0.982 64.125 63.100 0.072 0.000 0.795 143 P CB 0.382 32.110 31.700 0.048 0.000 0.775 144 D N -0.377 120.046 120.400 0.040 0.000 2.351 144 D HA -0.154 4.486 4.640 -0.000 0.000 0.216 144 D C 2.008 178.320 176.300 0.021 0.000 0.968 144 D CA 0.692 54.709 54.000 0.028 0.000 0.899 144 D CB -0.483 40.329 40.800 0.021 0.000 0.907 144 D HN 0.481 nan 8.370 nan 0.000 0.514 145 Q N 0.172 119.989 119.800 0.029 0.000 2.297 145 Q HA -0.066 4.274 4.340 -0.000 0.000 0.204 145 Q C 1.738 177.742 176.000 0.006 0.000 0.962 145 Q CA 0.834 56.646 55.803 0.015 0.000 0.879 145 Q CB -0.152 28.600 28.738 0.023 0.000 0.947 145 Q HN 0.110 nan 8.270 nan 0.000 0.462 146 V N 2.132 122.061 119.914 0.024 0.000 2.307 146 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 146 V C 1.567 177.614 176.094 -0.078 0.000 1.045 146 V CA 2.125 64.429 62.300 0.006 0.000 1.024 146 V CB -0.522 31.323 31.823 0.038 0.000 0.651 146 V HN 0.349 nan 8.190 nan 0.000 0.449 147 D N -0.010 120.343 120.400 -0.080 0.000 2.178 147 D HA -0.115 4.524 4.640 -0.000 0.000 0.202 147 D C 2.153 178.312 176.300 -0.234 0.000 0.974 147 D CA 0.996 54.879 54.000 -0.194 0.000 0.841 147 D CB -0.302 40.496 40.800 -0.002 0.000 0.953 147 D HN 0.284 nan 8.370 nan 0.000 0.478 148 V N 1.325 121.180 119.914 -0.098 0.000 2.287 148 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 148 V C 2.511 178.548 176.094 -0.094 0.000 1.053 148 V CA 1.935 64.195 62.300 -0.067 0.000 1.027 148 V CB -0.804 31.001 31.823 -0.030 0.000 0.646 148 V HN 0.207 nan 8.190 nan 0.000 0.447 149 A N -0.449 122.315 122.820 -0.094 0.000 1.902 149 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 149 A C 2.210 179.710 177.584 -0.139 0.000 1.181 149 A CA 1.786 53.774 52.037 -0.081 0.000 0.623 149 A CB -0.540 18.436 19.000 -0.039 0.000 0.818 149 A HN 0.506 nan 8.150 nan 0.000 0.443 150 L N -0.803 120.256 121.223 -0.272 0.000 2.083 150 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 150 L C 3.001 179.598 176.870 -0.454 0.000 1.083 150 L CA 0.994 55.590 54.840 -0.407 0.000 0.752 150 L CB -0.467 41.183 42.059 -0.680 0.000 0.899 150 L HN 0.432 nan 8.230 nan 0.000 0.433 151 A N -0.808 121.719 122.820 -0.489 0.000 2.067 151 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 151 A C 1.809 179.364 177.584 -0.049 0.000 1.158 151 A CA 1.406 53.342 52.037 -0.169 0.000 0.661 151 A CB -0.547 18.443 19.000 -0.016 0.000 0.801 151 A HN 0.522 nan 8.150 nan 0.000 0.452 152 N N -0.805 117.878 118.700 -0.029 0.000 2.321 152 N HA 0.237 4.976 4.740 -0.000 0.000 0.242 152 N C 0.698 176.288 175.510 0.133 0.000 1.141 152 N CA 0.563 53.670 53.050 0.095 0.000 0.864 152 N CB -0.007 38.527 38.487 0.077 0.000 1.100 152 N HN 0.444 nan 8.380 nan 0.000 0.510 153 G N 1.485 110.272 108.800 -0.023 0.000 2.176 153 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 153 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 153 G C -0.095 174.864 174.900 0.098 0.000 1.024 153 G CA -0.055 45.039 45.100 -0.009 0.000 0.755 153 G HN 0.374 nan 8.290 nan 0.000 0.507 154 I N 0.941 121.538 120.570 0.044 0.000 2.353 154 I HA 0.433 4.603 4.170 -0.000 0.000 0.293 154 I C 1.466 177.624 176.117 0.069 0.000 0.992 154 I CA 0.200 61.547 61.300 0.078 0.000 1.268 154 I CB 1.666 39.696 38.000 0.049 0.000 1.387 154 I HN 0.231 nan 8.210 nan 0.000 0.478 155 T N -0.841 113.786 114.554 0.122 0.000 3.043 155 T HA 0.197 4.547 4.350 -0.000 0.000 0.272 155 T C 0.444 175.253 174.700 0.183 0.000 0.990 155 T CA -0.086 62.091 62.100 0.128 0.000 0.897 155 T CB 0.259 69.209 68.868 0.136 0.000 1.111 155 T HN 0.478 nan 8.240 nan 0.000 0.529 156 T N 2.447 117.124 114.554 0.204 0.000 2.928 156 T HA 0.621 4.970 4.350 -0.000 0.000 0.296 156 T C -1.184 173.676 174.700 0.267 0.000 1.000 156 T CA -0.617 61.648 62.100 0.274 0.000 0.989 156 T CB 1.599 70.655 68.868 0.313 0.000 1.005 156 T HN 0.214 nan 8.240 nan 0.000 0.442 157 L N 3.554 124.955 121.223 0.296 0.000 2.319 157 L HA 0.610 4.950 4.340 -0.000 0.000 0.281 157 L C -1.108 175.967 176.870 0.341 0.000 1.005 157 L CA -0.766 54.237 54.840 0.271 0.000 0.828 157 L CB 1.008 43.216 42.059 0.247 0.000 1.227 157 L HN 0.524 nan 8.230 nan 0.000 0.415 158 F N 1.894 121.936 119.950 0.153 0.000 2.444 158 F HA 0.813 5.339 4.527 -0.000 0.000 0.342 158 F C 0.681 176.546 175.800 0.108 0.000 1.121 158 F CA 0.038 58.140 58.000 0.170 0.000 0.997 158 F CB 1.969 41.043 39.000 0.124 0.000 1.130 158 F HN 0.536 nan 8.300 nan 0.000 0.454 159 G N 1.653 110.571 108.800 0.197 0.000 2.441 159 G HA2 0.513 4.473 3.960 -0.000 0.000 0.225 159 G HA3 0.513 4.473 3.960 -0.000 0.000 0.225 159 G C -1.089 173.930 174.900 0.198 0.000 1.200 159 G CA -0.005 45.147 45.100 0.087 0.000 0.947 159 G HN 1.022 nan 8.290 nan 0.000 0.484 160 G N -2.148 106.737 108.800 0.140 0.000 2.623 160 G HA2 0.907 4.867 3.960 -0.000 0.000 0.290 160 G HA3 0.907 4.867 3.960 -0.000 0.000 0.290 160 G C -0.300 174.790 174.900 0.318 0.000 1.437 160 G CA 0.712 45.987 45.100 0.292 0.000 0.798 160 G HN 2.434 nan 8.290 nan 0.000 0.488 161 G N -1.949 107.027 108.800 0.295 0.000 2.321 161 G HA2 0.510 4.470 3.960 -0.000 0.000 0.339 161 G HA3 0.510 4.470 3.960 -0.000 0.000 0.339 161 G C 0.116 175.131 174.900 0.191 0.000 1.518 161 G CA 0.791 46.047 45.100 0.259 0.000 0.994 161 G HN 1.833 nan 8.290 nan 0.000 0.668 162 T N -2.017 112.628 114.554 0.151 0.000 3.145 162 T HA 0.636 4.986 4.350 -0.000 0.000 0.281 162 T C 1.410 176.166 174.700 0.093 0.000 1.003 162 T CA 1.173 63.329 62.100 0.094 0.000 0.901 162 T CB 0.380 69.306 68.868 0.096 0.000 1.112 162 T HN 2.739 nan 8.240 nan 0.000 0.535 163 G N 2.578 111.453 108.800 0.124 0.000 2.384 163 G HA2 0.031 3.990 3.960 -0.000 0.000 0.204 163 G HA3 0.031 3.990 3.960 -0.000 0.000 0.204 163 G C -2.790 172.169 174.900 0.098 0.000 1.237 163 G CA -0.421 44.741 45.100 0.104 0.000 1.060 163 G HN 0.138 nan 8.290 nan 0.000 0.514 164 P HA 0.498 nan 4.420 nan 0.000 0.220 164 P C 0.213 177.543 177.300 0.049 0.000 1.793 164 P CA 0.873 64.006 63.100 0.055 0.000 0.917 164 P CB 0.116 31.839 31.700 0.038 0.000 1.755 165 A N 0.679 123.538 122.820 0.065 0.000 2.316 165 A HA 0.279 4.599 4.320 -0.000 0.000 0.284 165 A C 1.341 178.948 177.584 0.038 0.000 1.115 165 A CA -0.281 51.791 52.037 0.058 0.000 0.812 165 A CB 0.592 19.645 19.000 0.088 0.000 1.064 165 A HN -0.022 nan 8.150 nan 0.000 0.489 166 E N 1.656 121.857 120.200 0.002 0.000 2.204 166 E HA -0.086 4.264 4.350 -0.000 0.000 0.195 166 E C 2.033 178.578 176.600 -0.092 0.000 0.990 166 E CA 1.844 58.210 56.400 -0.056 0.000 0.821 166 E CB -0.231 29.412 29.700 -0.095 0.000 0.750 166 E HN 0.840 nan 8.360 nan 0.000 0.477 167 G N -0.333 108.451 108.800 -0.027 0.000 2.421 167 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 167 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 167 G C 1.709 176.673 174.900 0.105 0.000 1.171 167 G CA 1.007 46.117 45.100 0.017 0.000 0.775 167 G HN 0.262 nan 8.290 nan 0.000 0.543 168 S N 0.055 115.845 115.700 0.150 0.000 2.436 168 S HA 0.049 4.519 4.470 -0.000 0.000 0.228 168 S C 2.107 176.839 174.600 0.221 0.000 1.014 168 S CA 0.670 58.991 58.200 0.203 0.000 0.950 168 S CB 0.013 63.325 63.200 0.187 0.000 0.784 168 S HN 0.374 nan 8.310 nan 0.000 0.504 169 K N 1.177 121.626 120.400 0.082 0.000 2.288 169 K HA 0.123 4.443 4.320 -0.000 0.000 0.201 169 K C 1.974 178.525 176.600 -0.081 0.000 1.048 169 K CA 0.961 57.248 56.287 0.000 0.000 0.956 169 K CB -0.075 32.408 32.500 -0.029 0.000 0.746 169 K HN 0.325 nan 8.250 nan 0.000 0.461 170 A N 0.857 123.632 122.820 -0.076 0.000 2.014 170 A HA 0.016 4.335 4.320 -0.000 0.000 0.210 170 A C 0.986 178.540 177.584 -0.051 0.000 1.188 170 A CA 0.752 52.696 52.037 -0.155 0.000 0.731 170 A CB 0.333 19.128 19.000 -0.343 0.000 0.858 170 A HN 0.294 nan 8.150 nan 0.000 0.464 171 T N -2.004 112.600 114.554 0.085 0.000 2.916 171 T HA 0.437 4.787 4.350 -0.000 0.000 0.298 171 T C -0.243 174.531 174.700 0.123 0.000 1.031 171 T CA 0.231 62.374 62.100 0.071 0.000 0.993 171 T CB 1.184 69.972 68.868 -0.133 0.000 1.045 171 T HN 0.357 nan 8.240 nan 0.000 0.454 172 T N 0.837 115.338 114.554 -0.088 0.000 4.475 172 T HA 0.489 4.839 4.350 -0.000 0.000 0.254 172 T C -0.096 174.626 174.700 0.038 0.000 1.160 172 T CA -0.496 61.451 62.100 -0.254 0.000 1.091 172 T CB -1.160 67.553 68.868 -0.259 0.000 1.377 172 T HN 0.593 nan 8.240 nan 0.000 1.057 173 V N 2.133 122.118 119.914 0.118 0.000 2.577 173 V HA 0.445 4.565 4.120 -0.000 0.000 0.303 173 V C 0.013 176.179 176.094 0.120 0.000 1.042 173 V CA -0.795 61.587 62.300 0.136 0.000 0.872 173 V CB 2.317 34.269 31.823 0.215 0.000 0.998 173 V HN 0.695 nan 8.190 nan 0.000 0.423 174 T N 7.253 121.849 114.554 0.069 0.000 2.874 174 T HA 0.393 4.743 4.350 -0.000 0.000 0.321 174 T C -2.726 171.974 174.700 -0.001 0.000 1.075 174 T CA -1.189 60.938 62.100 0.046 0.000 0.966 174 T CB 1.335 70.216 68.868 0.020 0.000 1.001 174 T HN 0.424 nan 8.240 nan 0.000 0.476 175 P HA 0.466 nan 4.420 nan 0.000 0.287 175 P C 0.473 177.757 177.300 -0.028 0.000 1.281 175 P CA 0.383 63.431 63.100 -0.087 0.000 0.781 175 P CB 0.753 32.340 31.700 -0.188 0.000 0.903 176 G N 5.269 114.047 108.800 -0.036 0.000 2.758 176 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 176 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 176 G C -2.294 172.629 174.900 0.038 0.000 1.389 176 G CA -0.687 44.414 45.100 0.002 0.000 0.845 176 G HN 0.233 nan 8.290 nan 0.000 0.572 177 P HA -0.091 nan 4.420 nan 0.000 0.215 177 P C 1.639 178.997 177.300 0.097 0.000 1.157 177 P CA 2.206 65.340 63.100 0.056 0.000 0.874 177 P CB 0.009 31.744 31.700 0.058 0.000 0.790 178 W N 0.390 121.669 121.300 -0.035 0.000 2.407 178 W HA -0.083 4.577 4.660 -0.000 0.000 0.305 178 W C 2.051 178.551 176.519 -0.032 0.000 1.196 178 W CA 1.248 58.575 57.345 -0.031 0.000 1.311 178 W CB -0.815 28.629 29.460 -0.026 0.000 1.135 178 W HN -0.187 nan 8.180 nan 0.000 0.514 179 N N 0.750 119.586 118.700 0.226 0.000 2.104 179 N HA -0.223 4.517 4.740 -0.000 0.000 0.190 179 N C 1.739 177.171 175.510 -0.130 0.000 1.024 179 N CA 2.256 55.320 53.050 0.024 0.000 0.853 179 N CB -0.754 37.810 38.487 0.127 0.000 1.008 179 N HN 0.289 nan 8.380 nan 0.000 0.424 180 I N 1.695 122.218 120.570 -0.080 0.000 2.179 180 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 180 I C 2.169 178.187 176.117 -0.166 0.000 1.088 180 I CA 1.199 62.437 61.300 -0.104 0.000 1.357 180 I CB -0.205 37.758 38.000 -0.061 0.000 1.051 180 I HN 0.142 nan 8.210 nan 0.000 0.409 181 E N 0.617 120.700 120.200 -0.196 0.000 2.077 181 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 181 E C 2.163 178.574 176.600 -0.316 0.000 0.989 181 E CA 0.916 57.177 56.400 -0.233 0.000 0.800 181 E CB 0.041 29.604 29.700 -0.229 0.000 0.746 181 E HN 0.310 nan 8.360 nan 0.000 0.452 182 K N 0.298 120.410 120.400 -0.479 0.000 2.026 182 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 182 K C 1.960 178.374 176.600 -0.310 0.000 1.048 182 K CA 1.097 57.090 56.287 -0.489 0.000 0.929 182 K CB -0.237 31.823 32.500 -0.733 0.000 0.713 182 K HN 0.193 nan 8.250 nan 0.000 0.439 183 M N 0.545 119.982 119.600 -0.271 0.000 2.319 183 M HA 0.001 4.481 4.480 -0.000 0.000 0.265 183 M C 2.260 178.414 176.300 -0.243 0.000 1.068 183 M CA 0.975 56.129 55.300 -0.242 0.000 1.118 183 M CB -0.863 31.597 32.600 -0.233 0.000 1.395 183 M HN 0.030 nan 8.290 nan 0.000 0.435 184 L N -0.109 120.987 121.223 -0.213 0.000 2.046 184 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 184 L C 2.495 179.265 176.870 -0.167 0.000 1.077 184 L CA 1.244 55.974 54.840 -0.184 0.000 0.747 184 L CB -0.529 41.439 42.059 -0.153 0.000 0.896 184 L HN 0.286 nan 8.230 nan 0.000 0.432 185 K N -0.845 119.452 120.400 -0.171 0.000 2.057 185 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 185 K C 2.416 178.941 176.600 -0.126 0.000 1.050 185 K CA 1.454 57.655 56.287 -0.144 0.000 0.935 185 K CB -0.211 32.196 32.500 -0.155 0.000 0.715 185 K HN 0.113 nan 8.250 nan 0.000 0.439 186 S N 0.434 116.045 115.700 -0.149 0.000 2.368 186 S HA -0.140 4.329 4.470 -0.000 0.000 0.225 186 S C 1.847 176.375 174.600 -0.120 0.000 1.030 186 S CA 1.732 59.855 58.200 -0.128 0.000 0.999 186 S CB -0.313 62.795 63.200 -0.153 0.000 0.844 186 S HN 0.267 nan 8.310 nan 0.000 0.459 187 T N 2.338 116.796 114.554 -0.160 0.000 2.849 187 T HA -0.070 4.279 4.350 -0.000 0.000 0.270 187 T C 1.562 176.218 174.700 -0.073 0.000 1.066 187 T CA 1.179 63.188 62.100 -0.151 0.000 1.130 187 T CB -0.348 68.399 68.868 -0.201 0.000 0.864 187 T HN 0.457 nan 8.240 nan 0.000 0.481 188 E N 0.678 120.847 120.200 -0.052 0.000 2.219 188 E HA -0.084 4.266 4.350 -0.000 0.000 0.198 188 E C 2.072 178.715 176.600 0.073 0.000 0.998 188 E CA 1.058 57.473 56.400 0.025 0.000 0.818 188 E CB -0.354 29.347 29.700 0.002 0.000 0.741 188 E HN 0.578 nan 8.360 nan 0.000 0.477 189 G N 0.276 109.087 108.800 0.019 0.000 3.502 189 G HA2 0.291 4.251 3.960 -0.000 0.000 0.267 189 G HA3 0.291 4.251 3.960 -0.000 0.000 0.267 189 G C 0.297 175.198 174.900 0.003 0.000 1.090 189 G CA -0.330 44.779 45.100 0.014 0.000 0.795 189 G HN -0.013 nan 8.290 nan 0.000 0.535 190 L N 1.837 123.060 121.223 -0.000 0.000 2.282 190 L HA 0.362 4.701 4.340 -0.000 0.000 0.288 190 L C -2.019 174.867 176.870 0.026 0.000 1.033 190 L CA -2.093 52.754 54.840 0.011 0.000 0.807 190 L CB 2.369 44.429 42.059 0.003 0.000 1.209 190 L HN -0.118 nan 8.230 nan 0.000 0.423 191 P HA 0.314 nan 4.420 nan 0.000 0.219 191 P C -0.582 176.748 177.300 0.050 0.000 1.832 191 P CA 0.183 63.305 63.100 0.037 0.000 1.014 191 P CB 0.572 32.292 31.700 0.034 0.000 1.939 192 I N 0.520 121.130 120.570 0.067 0.000 2.897 192 I HA 0.270 4.440 4.170 -0.000 0.000 0.299 192 I C -1.182 175.004 176.117 0.115 0.000 1.527 192 I CA -0.900 60.458 61.300 0.095 0.000 0.979 192 I CB 2.211 40.268 38.000 0.096 0.000 1.360 192 I HN -0.182 nan 8.210 nan 0.000 0.495 193 N N 3.450 122.247 118.700 0.163 0.000 2.518 193 N HA 0.465 5.205 4.740 -0.000 0.000 0.266 193 N C -1.074 174.571 175.510 0.224 0.000 1.196 193 N CA -0.093 53.068 53.050 0.186 0.000 0.947 193 N CB 1.550 40.230 38.487 0.320 0.000 1.098 193 N HN 0.263 nan 8.380 nan 0.000 0.450 194 V N -0.525 119.489 119.914 0.168 0.000 2.925 194 V HA 0.804 4.924 4.120 -0.000 0.000 0.311 194 V C 0.224 176.296 176.094 -0.037 0.000 1.104 194 V CA -0.935 61.423 62.300 0.097 0.000 0.954 194 V CB 2.329 34.127 31.823 -0.040 0.000 1.022 194 V HN 0.778 nan 8.190 nan 0.000 0.427 195 G N 2.873 111.373 108.800 -0.500 0.000 2.687 195 G HA2 0.749 4.709 3.960 -0.000 0.000 0.301 195 G HA3 0.749 4.709 3.960 -0.000 0.000 0.301 195 G C -1.410 173.034 174.900 -0.759 0.000 1.416 195 G CA -0.484 43.944 45.100 -1.120 0.000 1.005 195 G HN 0.569 nan 8.290 nan 0.000 0.509 196 I N 2.028 122.389 120.570 -0.349 0.000 2.377 196 I HA 0.356 4.526 4.170 -0.000 0.000 0.293 196 I C -0.176 175.922 176.117 -0.033 0.000 0.987 196 I CA -0.661 60.564 61.300 -0.126 0.000 1.185 196 I CB 1.821 39.748 38.000 -0.121 0.000 1.341 196 I HN 0.112 nan 8.210 nan 0.000 0.455 197 L N 5.544 126.793 121.223 0.044 0.000 2.307 197 L HA 0.592 4.932 4.340 -0.000 0.000 0.282 197 L C 0.741 177.631 176.870 0.033 0.000 1.051 197 L CA -0.454 54.424 54.840 0.063 0.000 0.804 197 L CB 1.307 43.422 42.059 0.093 0.000 1.197 197 L HN 0.657 nan 8.230 nan 0.000 0.431 198 G N 1.415 110.221 108.800 0.011 0.000 2.535 198 G HA2 0.255 4.215 3.960 -0.000 0.000 0.303 198 G HA3 0.255 4.215 3.960 -0.000 0.000 0.303 198 G C -0.780 174.100 174.900 -0.035 0.000 1.237 198 G CA -0.639 44.449 45.100 -0.019 0.000 0.986 198 G HN 0.546 nan 8.290 nan 0.000 0.494 199 K N 0.106 120.449 120.400 -0.094 0.000 2.378 199 K HA 0.230 4.550 4.320 -0.000 0.000 0.288 199 K C 0.754 177.314 176.600 -0.067 0.000 1.057 199 K CA -0.061 56.145 56.287 -0.136 0.000 0.971 199 K CB 0.239 32.509 32.500 -0.382 0.000 0.975 199 K HN 0.420 nan 8.250 nan 0.000 0.475 200 G N 5.605 114.380 108.800 -0.042 0.000 3.458 200 G HA2 0.074 4.034 3.960 -0.000 0.000 0.256 200 G HA3 0.074 4.034 3.960 -0.000 0.000 0.256 200 G C -0.626 174.014 174.900 -0.433 0.000 0.938 200 G CA -0.150 44.846 45.100 -0.173 0.000 1.890 200 G HN 0.677 nan 8.290 nan 0.000 0.639 201 H N -0.340 118.685 119.070 -0.075 0.000 2.947 201 H HA 0.613 5.169 4.556 -0.000 0.000 0.354 201 H C 0.218 175.509 175.328 -0.061 0.000 1.085 201 H CA 0.090 56.108 56.048 -0.051 0.000 1.253 201 H CB 2.380 32.106 29.762 -0.060 0.000 1.757 201 H HN 0.637 nan 8.280 nan 0.000 0.523 202 G N 0.117 108.957 108.800 0.067 0.000 2.350 202 G HA2 0.099 4.059 3.960 -0.000 0.000 0.304 202 G HA3 0.099 4.059 3.960 -0.000 0.000 0.304 202 G C -0.096 174.814 174.900 0.017 0.000 1.421 202 G CA 0.015 45.133 45.100 0.031 0.000 0.934 202 G HN 0.542 nan 8.290 nan 0.000 0.632 203 S N -1.629 114.078 115.700 0.012 0.000 2.666 203 S HA 0.568 5.038 4.470 -0.000 0.000 0.239 203 S C 0.655 175.255 174.600 -0.000 0.000 1.031 203 S CA 0.742 58.946 58.200 0.008 0.000 1.015 203 S CB 0.642 63.850 63.200 0.014 0.000 0.981 203 S HN 0.922 nan 8.310 nan 0.000 0.547 204 S N 1.340 117.037 115.700 -0.004 0.000 2.568 204 S HA 0.551 5.020 4.470 -0.000 0.000 0.302 204 S C 0.791 175.384 174.600 -0.012 0.000 1.082 204 S CA -0.802 57.394 58.200 -0.007 0.000 1.009 204 S CB 1.253 64.449 63.200 -0.007 0.000 1.069 204 S HN 0.091 nan 8.310 nan 0.000 0.500 205 I N 1.730 122.293 120.570 -0.013 0.000 2.286 205 I HA -0.107 4.062 4.170 -0.000 0.000 0.245 205 I C 2.595 178.703 176.117 -0.016 0.000 1.104 205 I CA 1.285 62.575 61.300 -0.016 0.000 1.397 205 I CB -1.722 36.270 38.000 -0.014 0.000 1.072 205 I HN 0.776 nan 8.210 nan 0.000 0.417 206 A N 2.031 124.843 122.820 -0.014 0.000 1.873 206 A HA -0.164 4.155 4.320 -0.000 0.000 0.218 206 A C 0.128 177.703 177.584 -0.016 0.000 1.193 206 A CA 2.059 54.088 52.037 -0.013 0.000 0.629 206 A CB -2.207 16.787 19.000 -0.011 0.000 0.826 206 A HN 0.295 nan 8.150 nan 0.000 0.447 207 P HA -0.141 nan 4.420 nan 0.000 0.216 207 P C 1.377 178.658 177.300 -0.031 0.000 1.150 207 P CA 1.119 64.204 63.100 -0.024 0.000 0.837 207 P CB -0.171 31.513 31.700 -0.026 0.000 0.786 208 I N -1.981 118.571 120.570 -0.031 0.000 2.235 208 I HA -0.177 3.993 4.170 -0.000 0.000 0.241 208 I C 2.414 178.514 176.117 -0.029 0.000 1.085 208 I CA 1.161 62.439 61.300 -0.037 0.000 1.378 208 I CB -0.626 37.349 38.000 -0.041 0.000 1.076 208 I HN -0.094 nan 8.210 nan 0.000 0.415 209 M N 1.733 121.320 119.600 -0.022 0.000 2.108 209 M HA -0.249 4.231 4.480 -0.000 0.000 0.261 209 M C 2.190 178.483 176.300 -0.012 0.000 1.066 209 M CA 1.936 57.226 55.300 -0.016 0.000 1.107 209 M CB -0.694 31.898 32.600 -0.013 0.000 1.356 209 M HN 0.351 nan 8.290 nan 0.000 0.406 210 E N -1.152 119.041 120.200 -0.013 0.000 2.265 210 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 210 E C 1.794 178.389 176.600 -0.008 0.000 0.996 210 E CA 1.350 57.745 56.400 -0.008 0.000 0.832 210 E CB -0.649 29.048 29.700 -0.006 0.000 0.756 210 E HN 0.717 nan 8.360 nan 0.000 0.491 211 Q N 0.193 119.985 119.800 -0.014 0.000 2.083 211 Q HA -0.104 4.236 4.340 -0.000 0.000 0.198 211 Q C 2.252 178.246 176.000 -0.011 0.000 0.969 211 Q CA 1.089 56.883 55.803 -0.016 0.000 0.838 211 Q CB 0.026 28.748 28.738 -0.026 0.000 0.900 211 Q HN 0.369 nan 8.270 nan 0.000 0.436 212 I N 1.506 122.072 120.570 -0.007 0.000 2.179 212 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 212 I C 1.594 177.713 176.117 0.002 0.000 1.088 212 I CA 1.389 62.691 61.300 0.002 0.000 1.357 212 I CB -1.175 36.827 38.000 0.004 0.000 1.051 212 I HN 0.172 nan 8.210 nan 0.000 0.409 213 D N 1.145 121.544 120.400 -0.001 0.000 2.218 213 D HA -0.092 4.548 4.640 -0.000 0.000 0.204 213 D C 2.174 178.470 176.300 -0.006 0.000 0.976 213 D CA 1.339 55.337 54.000 -0.002 0.000 0.853 213 D CB -0.031 40.767 40.800 -0.003 0.000 0.939 213 D HN 0.323 nan 8.370 nan 0.000 0.481 214 A N -0.443 122.372 122.820 -0.008 0.000 2.119 214 A HA 0.318 4.637 4.320 -0.000 0.000 0.217 214 A C 1.842 179.410 177.584 -0.026 0.000 1.153 214 A CA 1.590 53.618 52.037 -0.015 0.000 0.692 214 A CB 0.034 19.026 19.000 -0.014 0.000 0.799 214 A HN 0.313 nan 8.150 nan 0.000 0.458 215 G N -2.923 105.865 108.800 -0.019 0.000 2.370 215 G HA2 0.273 4.233 3.960 -0.000 0.000 0.174 215 G HA3 0.273 4.233 3.960 -0.000 0.000 0.174 215 G C 0.338 175.227 174.900 -0.018 0.000 1.002 215 G CA 0.020 45.106 45.100 -0.023 0.000 0.730 215 G HN 1.302 nan 8.290 nan 0.000 0.497 216 A N 0.430 123.243 122.820 -0.012 0.000 2.445 216 A HA 0.725 5.045 4.320 -0.000 0.000 0.242 216 A C 1.445 179.052 177.584 0.039 0.000 1.075 216 A CA 1.220 53.257 52.037 -0.001 0.000 0.777 216 A CB 0.767 19.769 19.000 0.002 0.000 1.013 216 A HN 1.675 nan 8.150 nan 0.000 0.493 217 A N 1.217 124.079 122.820 0.069 0.000 2.348 217 A HA 0.571 4.891 4.320 -0.000 0.000 0.224 217 A C 0.960 178.677 177.584 0.222 0.000 1.227 217 A CA 0.966 53.109 52.037 0.175 0.000 0.885 217 A CB -0.550 18.603 19.000 0.255 0.000 0.933 217 A HN 2.303 nan 8.150 nan 0.000 0.506 218 G N -1.601 107.285 108.800 0.142 0.000 2.317 218 G HA2 0.452 4.411 3.960 -0.000 0.000 0.293 218 G HA3 0.452 4.411 3.960 -0.000 0.000 0.293 218 G C -1.427 173.506 174.900 0.054 0.000 1.287 218 G CA -0.633 44.532 45.100 0.109 0.000 0.850 218 G HN 0.282 nan 8.290 nan 0.000 0.515 222 H N 5.985 125.378 119.070 0.538 0.000 2.637 222 H HA 0.290 4.846 4.556 -0.000 0.000 0.363 222 H C 0.416 175.876 175.328 0.219 0.000 1.131 222 H CA -0.400 55.823 56.048 0.291 0.000 1.183 222 H CB 2.604 32.498 29.762 0.220 0.000 1.637 222 H HN 0.858 nan 8.280 nan 0.000 0.531 223 E N 2.145 122.347 120.200 0.003 0.000 2.267 223 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 223 E C -0.017 176.634 176.600 0.085 0.000 0.998 223 E CA 1.427 57.886 56.400 0.098 0.000 0.830 223 E CB 0.183 29.934 29.700 0.085 0.000 0.751 223 E HN 0.446 nan 8.360 nan 0.000 0.491 224 D N 0.170 120.661 120.400 0.153 0.000 2.312 224 D HA -0.096 4.544 4.640 -0.000 0.000 0.211 224 D C 0.569 176.627 176.300 -0.404 0.000 0.964 224 D CA 0.821 54.683 54.000 -0.230 0.000 0.877 224 D CB -0.228 40.267 40.800 -0.509 0.000 0.924 224 D HN 0.487 nan 8.370 nan 0.000 0.515 225 W N 0.476 121.632 121.300 -0.240 0.000 3.220 225 W HA 0.391 5.051 4.660 -0.000 0.000 0.328 225 W C 0.633 176.870 176.519 -0.471 0.000 1.205 225 W CA -0.037 56.996 57.345 -0.521 0.000 1.773 225 W CB 0.788 29.638 29.460 -1.017 0.000 1.086 225 W HN -0.073 nan 8.180 nan 0.000 0.622 226 G N 1.213 110.028 108.800 0.025 0.000 2.721 226 G HA2 0.090 4.050 3.960 -0.000 0.000 0.462 226 G HA3 0.090 4.050 3.960 -0.000 0.000 0.462 226 G C -0.277 174.854 174.900 0.386 0.000 1.062 226 G CA -0.647 44.550 45.100 0.162 0.000 1.233 226 G HN 0.396 nan 8.290 nan 0.000 0.545 227 A N 2.285 125.281 122.820 0.293 0.000 3.091 227 A HA 0.679 4.999 4.320 -0.000 0.000 0.264 227 A C 1.255 178.918 177.584 0.133 0.000 1.673 227 A CA 0.877 53.061 52.037 0.244 0.000 1.362 227 A CB -0.508 18.596 19.000 0.173 0.000 1.137 227 A HN 2.052 nan 8.150 nan 0.000 0.617 228 T N -2.381 112.251 114.554 0.130 0.000 2.902 228 T HA 0.468 4.817 4.350 -0.000 0.000 0.280 228 T C -1.750 172.982 174.700 0.055 0.000 0.992 228 T CA -1.706 60.444 62.100 0.084 0.000 1.015 228 T CB 1.057 69.974 68.868 0.082 0.000 1.044 228 T HN 0.086 nan 8.240 nan 0.000 0.520 229 P HA -0.101 nan 4.420 nan 0.000 0.216 229 P C 1.641 178.948 177.300 0.012 0.000 1.153 229 P CA 1.709 64.824 63.100 0.025 0.000 0.858 229 P CB -0.293 31.420 31.700 0.021 0.000 0.789 230 A N -0.949 121.881 122.820 0.017 0.000 1.877 230 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 230 A C 2.419 179.999 177.584 -0.006 0.000 1.186 230 A CA 2.162 54.204 52.037 0.008 0.000 0.620 230 A CB -1.519 17.492 19.000 0.018 0.000 0.822 230 A HN 0.112 nan 8.150 nan 0.000 0.443 231 S N -0.406 115.292 115.700 -0.002 0.000 2.383 231 S HA -0.066 4.403 4.470 -0.000 0.000 0.227 231 S C 1.789 176.315 174.600 -0.122 0.000 1.026 231 S CA 1.259 59.419 58.200 -0.067 0.000 0.981 231 S CB -0.469 62.686 63.200 -0.074 0.000 0.818 231 S HN 0.518 nan 8.310 nan 0.000 0.472 232 I N 1.351 121.875 120.570 -0.076 0.000 2.142 232 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 232 I C 2.397 178.480 176.117 -0.058 0.000 1.078 232 I CA 1.585 62.843 61.300 -0.071 0.000 1.343 232 I CB -0.386 37.598 38.000 -0.027 0.000 1.046 232 I HN 0.249 nan 8.210 nan 0.000 0.405 233 D N 0.667 121.045 120.400 -0.037 0.000 2.104 233 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 233 D C 2.298 178.577 176.300 -0.036 0.000 0.994 233 D CA 1.473 55.455 54.000 -0.030 0.000 0.830 233 D CB 0.103 40.892 40.800 -0.017 0.000 0.959 233 D HN -0.036 nan 8.370 nan 0.000 0.452 234 R N 0.266 120.742 120.500 -0.039 0.000 2.092 234 R HA 0.066 4.406 4.340 -0.000 0.000 0.231 234 R C 2.577 178.848 176.300 -0.049 0.000 1.119 234 R CA 0.732 56.809 56.100 -0.038 0.000 0.970 234 R CB -1.177 29.103 30.300 -0.033 0.000 0.864 234 R HN 0.178 nan 8.270 nan 0.000 0.440 235 S N 1.354 117.011 115.700 -0.071 0.000 2.370 235 S HA -0.050 4.420 4.470 -0.000 0.000 0.226 235 S C 2.033 176.597 174.600 -0.059 0.000 1.033 235 S CA 1.008 59.160 58.200 -0.079 0.000 1.011 235 S CB -0.203 62.926 63.200 -0.119 0.000 0.852 235 S HN 0.196 nan 8.310 nan 0.000 0.457 236 L N 0.836 122.027 121.223 -0.055 0.000 2.141 236 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 236 L C 2.575 179.426 176.870 -0.032 0.000 1.094 236 L CA 1.001 55.815 54.840 -0.043 0.000 0.763 236 L CB -0.879 41.156 42.059 -0.040 0.000 0.908 236 L HN 0.301 nan 8.230 nan 0.000 0.437 237 T N -0.753 113.783 114.554 -0.030 0.000 2.777 237 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 237 T C 2.020 176.707 174.700 -0.022 0.000 1.040 237 T CA 1.141 63.227 62.100 -0.023 0.000 1.141 237 T CB -0.100 68.756 68.868 -0.021 0.000 0.868 237 T HN 0.034 nan 8.240 nan 0.000 0.444 238 V N 1.724 121.622 119.914 -0.026 0.000 2.295 238 V HA -0.178 3.941 4.120 -0.000 0.000 0.246 238 V C 2.886 178.969 176.094 -0.018 0.000 1.049 238 V CA 1.765 64.051 62.300 -0.022 0.000 1.024 238 V CB -1.183 30.624 31.823 -0.027 0.000 0.648 238 V HN 0.524 nan 8.190 nan 0.000 0.447 239 A N -0.307 122.499 122.820 -0.023 0.000 1.908 239 A HA -0.287 4.032 4.320 -0.000 0.000 0.218 239 A C 2.013 179.589 177.584 -0.015 0.000 1.181 239 A CA 2.192 54.218 52.037 -0.018 0.000 0.627 239 A CB -0.680 18.305 19.000 -0.026 0.000 0.818 239 A HN 0.539 nan 8.150 nan 0.000 0.445 240 D N -0.997 119.392 120.400 -0.018 0.000 2.178 240 D HA -0.125 4.514 4.640 -0.000 0.000 0.202 240 D C 1.924 178.216 176.300 -0.012 0.000 0.974 240 D CA 1.417 55.408 54.000 -0.016 0.000 0.841 240 D CB -0.186 40.604 40.800 -0.017 0.000 0.953 240 D HN 0.772 nan 8.370 nan 0.000 0.478 241 E N 0.083 120.277 120.200 -0.011 0.000 2.076 241 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 241 E C 1.753 178.350 176.600 -0.006 0.000 0.979 241 E CA 0.801 57.196 56.400 -0.009 0.000 0.807 241 E CB 0.086 29.780 29.700 -0.009 0.000 0.761 241 E HN 0.125 nan 8.360 nan 0.000 0.454 242 A N 0.627 123.445 122.820 -0.004 0.000 2.169 242 A HA -0.026 4.294 4.320 -0.000 0.000 0.212 242 A C 0.530 178.119 177.584 0.008 0.000 1.153 242 A CA 0.816 52.855 52.037 0.003 0.000 0.756 242 A CB 0.058 19.061 19.000 0.005 0.000 0.813 242 A HN 0.428 nan 8.150 nan 0.000 0.471 243 D N -0.964 119.438 120.400 0.002 0.000 2.718 243 D HA -0.123 4.517 4.640 -0.000 0.000 0.242 243 D C -0.139 176.170 176.300 0.015 0.000 1.123 243 D CA 1.046 55.048 54.000 0.003 0.000 0.690 243 D CB -1.744 39.056 40.800 -0.000 0.000 1.059 243 D HN 0.976 nan 8.370 nan 0.000 0.429 244 V N -2.286 117.637 119.914 0.015 0.000 3.102 244 V HA 0.844 4.964 4.120 -0.000 0.000 0.312 244 V C 0.075 176.175 176.094 0.009 0.000 1.135 244 V CA -1.010 61.308 62.300 0.030 0.000 1.022 244 V CB 2.023 33.877 31.823 0.052 0.000 1.056 244 V HN 0.073 nan 8.190 nan 0.000 0.436 245 Q N 0.743 120.550 119.800 0.012 0.000 2.227 245 Q HA 0.676 5.016 4.340 -0.000 0.000 0.245 245 Q C -0.973 175.014 176.000 -0.021 0.000 0.926 245 Q CA -0.357 55.439 55.803 -0.011 0.000 0.895 245 Q CB 1.777 30.504 28.738 -0.018 0.000 1.230 245 Q HN 0.813 nan 8.270 nan 0.000 0.450 246 V N 2.443 122.323 119.914 -0.056 0.000 2.417 246 V HA 0.802 4.922 4.120 -0.000 0.000 0.291 246 V C -0.391 175.586 176.094 -0.196 0.000 1.024 246 V CA -0.742 61.493 62.300 -0.108 0.000 0.861 246 V CB 1.139 32.904 31.823 -0.096 0.000 0.985 246 V HN 0.872 nan 8.190 nan 0.000 0.436 247 A N 5.509 128.105 122.820 -0.373 0.000 2.312 247 A HA 0.898 5.217 4.320 -0.000 0.000 0.328 247 A C -0.696 176.547 177.584 -0.567 0.000 1.158 247 A CA -0.552 51.020 52.037 -0.775 0.000 0.821 247 A CB 0.991 18.952 19.000 -1.731 0.000 1.170 247 A HN 0.886 nan 8.150 nan 0.000 0.490 248 I N 0.978 121.242 120.570 -0.509 0.000 2.533 248 I HA 0.377 4.547 4.170 -0.000 0.000 0.290 248 I C -0.890 175.175 176.117 -0.088 0.000 1.056 248 I CA -0.525 60.649 61.300 -0.210 0.000 1.057 248 I CB 1.626 39.566 38.000 -0.100 0.000 1.240 248 I HN 0.906 nan 8.210 nan 0.000 0.423 249 H N 6.477 125.505 119.070 -0.070 0.000 2.673 249 H HA 0.474 5.030 4.556 -0.000 0.000 0.293 249 H C -0.200 175.100 175.328 -0.047 0.000 1.065 249 H CA -0.585 55.472 56.048 0.015 0.000 1.236 249 H CB 0.914 30.642 29.762 -0.057 0.000 1.389 249 H HN 0.677 nan 8.280 nan 0.000 0.481 250 S N 2.693 118.452 115.700 0.099 0.000 2.641 250 S HA -0.028 4.442 4.470 -0.000 0.000 0.261 250 S C 0.387 174.930 174.600 -0.095 0.000 1.257 250 S CA -0.906 57.286 58.200 -0.012 0.000 0.983 250 S CB 0.921 64.083 63.200 -0.063 0.000 0.990 250 S HN 0.760 nan 8.310 nan 0.000 0.572 251 D N 0.500 120.688 120.400 -0.353 0.000 2.398 251 D HA 0.194 4.834 4.640 -0.000 0.000 0.250 251 D C 1.050 177.148 176.300 -0.335 0.000 1.287 251 D CA 0.061 53.903 54.000 -0.263 0.000 0.992 251 D CB -0.115 40.579 40.800 -0.176 0.000 1.071 251 D HN 0.538 nan 8.370 nan 0.000 0.514 252 T N 3.345 117.856 114.554 -0.072 0.000 2.699 252 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 252 T C 1.712 176.494 174.700 0.137 0.000 1.036 252 T CA 0.616 62.743 62.100 0.046 0.000 1.147 252 T CB 0.033 69.013 68.868 0.186 0.000 0.862 252 T HN 0.294 nan 8.240 nan 0.000 0.446 253 L N 1.460 122.767 121.223 0.141 0.000 2.456 253 L HA 0.103 4.443 4.340 -0.000 0.000 0.224 253 L C 0.867 177.816 176.870 0.131 0.000 1.148 253 L CA 0.775 55.701 54.840 0.143 0.000 0.825 253 L CB -1.236 40.865 42.059 0.070 0.000 0.937 253 L HN 0.321 nan 8.230 nan 0.000 0.450 254 N N -0.151 118.632 118.700 0.139 0.000 2.725 254 N HA -0.288 4.452 4.740 -0.000 0.000 0.249 254 N C 1.388 176.872 175.510 -0.043 0.000 1.103 254 N CA 1.110 54.245 53.050 0.142 0.000 0.707 254 N CB -1.001 37.646 38.487 0.267 0.000 1.043 254 N HN 0.604 nan 8.380 nan 0.000 0.553 255 E N 0.174 120.370 120.200 -0.007 0.000 2.047 255 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 255 E C 1.470 178.036 176.600 -0.056 0.000 0.987 255 E CA 1.497 57.879 56.400 -0.030 0.000 0.799 255 E CB 0.033 29.729 29.700 -0.005 0.000 0.752 255 E HN 0.465 nan 8.360 nan 0.000 0.449 256 A N 0.108 122.910 122.820 -0.029 0.000 2.348 256 A HA 0.440 4.760 4.320 -0.000 0.000 0.224 256 A C 0.606 178.159 177.584 -0.053 0.000 1.227 256 A CA 0.587 52.606 52.037 -0.030 0.000 0.885 256 A CB 0.742 19.748 19.000 0.009 0.000 0.933 256 A HN 0.350 nan 8.150 nan 0.000 0.506 257 G N -1.707 107.045 108.800 -0.080 0.000 2.368 257 G HA2 0.460 4.420 3.960 -0.000 0.000 0.293 257 G HA3 0.460 4.420 3.960 -0.000 0.000 0.293 257 G C -1.239 173.601 174.900 -0.099 0.000 1.467 257 G CA -0.709 44.326 45.100 -0.108 0.000 0.804 257 G HN -0.014 nan 8.290 nan 0.000 0.535 258 F N -0.588 119.356 119.950 -0.009 0.000 2.461 258 F HA 0.560 5.087 4.527 -0.000 0.000 0.337 258 F C 1.621 177.052 175.800 -0.615 0.000 1.079 258 F CA -0.885 57.011 58.000 -0.173 0.000 1.032 258 F CB 1.087 40.031 39.000 -0.092 0.000 1.327 258 F HN 0.418 nan 8.300 nan 0.000 0.491 259 L N 1.446 122.330 121.223 -0.565 0.000 2.051 259 L HA -0.218 4.122 4.340 -0.000 0.000 0.214 259 L C 2.413 179.129 176.870 -0.257 0.000 1.076 259 L CA 2.000 56.465 54.840 -0.625 0.000 0.758 259 L CB -0.957 40.940 42.059 -0.272 0.000 0.890 259 L HN 0.702 nan 8.230 nan 0.000 0.433 260 E N -1.080 119.057 120.200 -0.105 0.000 2.160 260 E HA -0.262 4.087 4.350 -0.000 0.000 0.195 260 E C 1.542 178.124 176.600 -0.029 0.000 0.991 260 E CA 1.747 58.122 56.400 -0.041 0.000 0.810 260 E CB -0.887 28.819 29.700 0.009 0.000 0.742 260 E HN 0.652 nan 8.360 nan 0.000 0.466 261 D N 0.840 121.229 120.400 -0.019 0.000 2.117 261 D HA -0.082 4.558 4.640 -0.000 0.000 0.198 261 D C 1.761 178.063 176.300 0.003 0.000 0.982 261 D CA 1.706 55.706 54.000 -0.001 0.000 0.828 261 D CB -0.116 40.690 40.800 0.010 0.000 0.967 261 D HN 0.221 nan 8.370 nan 0.000 0.464 262 T N 1.609 116.165 114.554 0.004 0.000 2.746 262 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 262 T C 2.280 176.975 174.700 -0.008 0.000 1.039 262 T CA 0.493 62.627 62.100 0.057 0.000 1.142 262 T CB -0.217 68.773 68.868 0.205 0.000 0.866 262 T HN 0.079 nan 8.240 nan 0.000 0.444 263 L N 0.513 121.699 121.223 -0.062 0.000 2.083 263 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 263 L C 2.774 179.614 176.870 -0.051 0.000 1.083 263 L CA 1.343 56.125 54.840 -0.097 0.000 0.752 263 L CB -0.408 41.549 42.059 -0.170 0.000 0.899 263 L HN 0.152 nan 8.230 nan 0.000 0.433 264 R N 0.112 120.596 120.500 -0.027 0.000 2.115 264 R HA -0.126 4.214 4.340 -0.000 0.000 0.230 264 R C 2.291 178.586 176.300 -0.009 0.000 1.111 264 R CA 1.177 57.270 56.100 -0.011 0.000 0.976 264 R CB -0.155 30.144 30.300 -0.002 0.000 0.870 264 R HN 0.324 nan 8.270 nan 0.000 0.445 265 A N 0.936 123.752 122.820 -0.006 0.000 1.930 265 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 265 A C 2.086 179.661 177.584 -0.014 0.000 1.175 265 A CA 1.139 53.173 52.037 -0.005 0.000 0.627 265 A CB -0.394 18.609 19.000 0.004 0.000 0.815 265 A HN 0.346 nan 8.150 nan 0.000 0.443 266 I N -0.782 119.776 120.570 -0.021 0.000 2.226 266 I HA -0.250 3.919 4.170 -0.000 0.000 0.245 266 I C 1.204 177.307 176.117 -0.024 0.000 1.100 266 I CA 1.315 62.598 61.300 -0.029 0.000 1.374 266 I CB -0.350 37.625 38.000 -0.043 0.000 1.057 266 I HN 0.625 nan 8.210 nan 0.000 0.413 267 N N 0.456 119.144 118.700 -0.020 0.000 2.754 267 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 267 N C 0.819 176.324 175.510 -0.008 0.000 1.093 267 N CA 0.232 53.275 53.050 -0.011 0.000 0.699 267 N CB -0.867 37.614 38.487 -0.009 0.000 1.016 267 N HN 0.684 nan 8.380 nan 0.000 0.552 268 G N -0.521 108.274 108.800 -0.007 0.000 2.199 268 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.254 268 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.254 268 G C 0.216 175.112 174.900 -0.006 0.000 0.982 268 G CA 0.620 45.721 45.100 0.001 0.000 0.632 268 G HN 0.570 nan 8.290 nan 0.000 0.529 269 R N -0.054 120.438 120.500 -0.014 0.000 2.679 269 R HA 0.458 4.797 4.340 -0.000 0.000 0.269 269 R C 0.674 176.962 176.300 -0.021 0.000 1.076 269 R CA -0.211 55.878 56.100 -0.018 0.000 1.160 269 R CB 0.870 31.157 30.300 -0.022 0.000 1.054 269 R HN 0.107 nan 8.270 nan 0.000 0.507 270 V N 3.690 123.591 119.914 -0.022 0.000 2.637 270 V HA 0.245 4.365 4.120 -0.000 0.000 0.296 270 V C 0.422 176.498 176.094 -0.029 0.000 1.046 270 V CA 0.197 62.482 62.300 -0.025 0.000 1.066 270 V CB 0.559 32.365 31.823 -0.029 0.000 0.968 270 V HN 0.594 nan 8.190 nan 0.000 0.483 271 I N 2.484 123.040 120.570 -0.024 0.000 2.841 271 I HA 0.405 4.575 4.170 -0.000 0.000 0.298 271 I C -0.703 175.424 176.117 0.018 0.000 1.304 271 I CA -0.632 60.654 61.300 -0.024 0.000 1.019 271 I CB 2.347 40.322 38.000 -0.041 0.000 1.282 271 I HN 0.823 nan 8.210 nan 0.000 0.432 272 H N 5.107 124.097 119.070 -0.133 0.000 2.594 272 H HA 0.351 4.907 4.556 -0.000 0.000 0.304 272 H C -0.892 174.336 175.328 -0.166 0.000 1.068 272 H CA -0.427 55.543 56.048 -0.129 0.000 1.308 272 H CB 1.196 30.871 29.762 -0.146 0.000 1.409 272 H HN 0.454 nan 8.280 nan 0.000 0.460 273 S N 6.356 122.186 115.700 0.217 0.000 2.404 273 S HA 0.178 4.648 4.470 -0.000 0.000 0.309 273 S C -0.419 174.295 174.600 0.191 0.000 1.076 273 S CA -0.772 57.484 58.200 0.093 0.000 1.095 273 S CB -0.317 62.928 63.200 0.075 0.000 0.972 273 S HN 0.403 nan 8.310 nan 0.000 0.484 274 F N 4.113 123.942 119.950 -0.202 0.000 2.444 274 F HA 0.211 4.738 4.527 -0.000 0.000 0.331 274 F C 1.385 176.910 175.800 -0.458 0.000 1.167 274 F CA -0.610 57.181 58.000 -0.349 0.000 1.262 274 F CB -0.196 38.473 39.000 -0.551 0.000 1.196 274 F HN 0.801 nan 8.300 nan 0.000 0.583 275 H N -0.847 118.390 119.070 0.278 0.000 2.000 275 H HA -0.149 4.407 4.556 -0.000 0.000 0.321 275 H C 0.734 176.106 175.328 0.072 0.000 0.878 275 H CA 0.411 56.528 56.048 0.116 0.000 1.061 275 H CB -1.849 27.941 29.762 0.046 0.000 1.579 275 H HN 0.337 nan 8.280 nan 0.000 0.316 276 V N 0.289 120.304 119.914 0.168 0.000 2.720 276 V HA -0.230 3.889 4.120 -0.000 0.000 0.256 276 V C 2.441 178.576 176.094 0.067 0.000 1.082 276 V CA 2.284 64.649 62.300 0.108 0.000 1.101 276 V CB -0.120 31.745 31.823 0.070 0.000 0.693 276 V HN 0.807 nan 8.190 nan 0.000 0.479 277 E N 0.281 120.512 120.200 0.051 0.000 2.106 277 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 277 E C 1.784 178.363 176.600 -0.035 0.000 0.984 277 E CA 1.356 57.750 56.400 -0.011 0.000 0.806 277 E CB -0.013 29.670 29.700 -0.029 0.000 0.750 277 E HN 0.702 nan 8.360 nan 0.000 0.458 278 G N -0.278 108.517 108.800 -0.009 0.000 2.238 278 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 278 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 278 G C 1.318 176.114 174.900 -0.173 0.000 0.996 278 G CA 0.732 45.782 45.100 -0.083 0.000 0.632 278 G HN 0.595 nan 8.290 nan 0.000 0.503 279 A N 0.640 123.370 122.820 -0.150 0.000 1.978 279 A HA 0.324 4.643 4.320 -0.000 0.000 0.220 279 A C 2.636 180.114 177.584 -0.177 0.000 1.170 279 A CA 2.376 54.328 52.037 -0.141 0.000 0.636 279 A CB -0.818 18.136 19.000 -0.078 0.000 0.810 279 A HN 1.620 nan 8.150 nan 0.000 0.448 280 G N -1.548 107.074 108.800 -0.297 0.000 2.650 280 G HA2 0.420 4.379 3.960 -0.000 0.000 0.214 280 G HA3 0.420 4.379 3.960 -0.000 0.000 0.214 280 G C 0.691 174.987 174.900 -1.006 0.000 1.136 280 G CA 0.821 45.571 45.100 -0.584 0.000 0.789 280 G HN 1.609 nan 8.290 nan 0.000 0.536 281 G N -2.356 105.938 108.800 -0.844 0.000 2.307 281 G HA2 0.577 4.537 3.960 -0.000 0.000 0.348 281 G HA3 0.577 4.537 3.960 -0.000 0.000 0.348 281 G C -0.396 174.187 174.900 -0.530 0.000 1.603 281 G CA -0.021 44.604 45.100 -0.792 0.000 0.961 281 G HN 1.724 nan 8.290 nan 0.000 0.686 282 G N 0.329 108.932 108.800 -0.327 0.000 2.316 282 G HA2 0.481 4.441 3.960 -0.000 0.000 0.468 282 G HA3 0.481 4.441 3.960 -0.000 0.000 0.468 282 G C -0.486 174.379 174.900 -0.059 0.000 1.523 282 G CA -0.480 44.529 45.100 -0.151 0.000 0.972 282 G HN 1.410 nan 8.290 nan 0.000 0.667 283 H N 0.055 119.143 119.070 0.031 0.000 3.221 283 H HA 0.179 4.735 4.556 -0.000 0.000 0.272 283 H C 1.151 176.488 175.328 0.015 0.000 0.865 283 H CA 1.554 57.640 56.048 0.063 0.000 1.419 283 H CB 0.311 30.122 29.762 0.082 0.000 1.377 283 H HN 1.000 nan 8.280 nan 0.000 0.535 284 A N 7.022 129.920 122.820 0.130 0.000 2.328 284 A HA 0.276 4.596 4.320 -0.000 0.000 0.284 284 A C -1.429 176.155 177.584 0.000 0.000 1.160 284 A CA -1.192 50.843 52.037 -0.003 0.000 0.818 284 A CB 0.634 19.629 19.000 -0.008 0.000 1.087 284 A HN 0.518 nan 8.150 nan 0.000 0.504 285 P HA 0.145 nan 4.420 nan 0.000 0.282 285 P C -0.420 176.763 177.300 -0.194 0.000 1.373 285 P CA 0.204 63.121 63.100 -0.306 0.000 1.001 285 P CB 0.592 31.854 31.700 -0.730 0.000 1.489 286 D N -0.757 119.597 120.400 -0.076 0.000 2.462 286 D HA 0.019 4.659 4.640 -0.000 0.000 0.221 286 D C 1.394 177.692 176.300 -0.003 0.000 1.173 286 D CA -0.594 53.378 54.000 -0.046 0.000 0.831 286 D CB -0.535 40.238 40.800 -0.045 0.000 1.001 286 D HN -0.017 nan 8.370 nan 0.000 0.499 287 I N 0.543 121.130 120.570 0.029 0.000 2.315 287 I HA -0.178 3.991 4.170 -0.000 0.000 0.251 287 I C 2.021 178.160 176.117 0.037 0.000 1.125 287 I CA 1.182 62.522 61.300 0.067 0.000 1.392 287 I CB -0.168 37.882 38.000 0.083 0.000 1.065 287 I HN 0.066 nan 8.210 nan 0.000 0.424 288 M N -0.133 119.471 119.600 0.007 0.000 2.446 288 M HA -0.118 4.361 4.480 -0.000 0.000 0.263 288 M C 1.988 178.299 176.300 0.018 0.000 1.066 288 M CA 1.503 56.805 55.300 0.004 0.000 1.087 288 M CB -0.158 32.426 32.600 -0.026 0.000 1.406 288 M HN 0.369 nan 8.290 nan 0.000 0.459 289 A N 0.290 123.128 122.820 0.030 0.000 2.125 289 A HA -0.144 4.175 4.320 -0.000 0.000 0.219 289 A C 1.978 179.648 177.584 0.143 0.000 1.156 289 A CA 1.117 53.193 52.037 0.064 0.000 0.671 289 A CB -0.592 18.442 19.000 0.056 0.000 0.794 289 A HN 0.571 nan 8.150 nan 0.000 0.459 290 M N -0.503 119.152 119.600 0.092 0.000 2.195 290 M HA -0.208 4.271 4.480 -0.000 0.000 0.260 290 M C 2.288 178.680 176.300 0.152 0.000 1.066 290 M CA 1.588 56.941 55.300 0.089 0.000 1.089 290 M CB -0.887 31.729 32.600 0.025 0.000 1.377 290 M HN 0.501 nan 8.290 nan 0.000 0.411 291 A N -0.022 122.852 122.820 0.089 0.000 2.248 291 A HA 0.127 4.447 4.320 -0.000 0.000 0.210 291 A C 2.134 179.743 177.584 0.043 0.000 1.174 291 A CA 1.362 53.427 52.037 0.046 0.000 0.750 291 A CB -1.019 17.977 19.000 -0.007 0.000 0.780 291 A HN 0.569 nan 8.150 nan 0.000 0.478 292 G N -1.825 107.018 108.800 0.072 0.000 2.939 292 G HA2 0.145 4.105 3.960 -0.000 0.000 0.210 292 G HA3 0.145 4.105 3.960 -0.000 0.000 0.210 292 G C 0.552 175.393 174.900 -0.099 0.000 1.160 292 G CA -0.243 44.838 45.100 -0.032 0.000 0.770 292 G HN 0.655 nan 8.290 nan 0.000 0.543 293 H N 0.440 119.499 119.070 -0.018 0.000 2.511 293 H HA 0.132 4.688 4.556 -0.000 0.000 0.346 293 H C -1.386 173.929 175.328 -0.021 0.000 1.128 293 H CA -1.483 54.555 56.048 -0.017 0.000 1.342 293 H CB 2.418 32.172 29.762 -0.013 0.000 1.470 293 H HN -0.005 nan 8.280 nan 0.000 0.546 294 P HA -0.118 nan 4.420 nan 0.000 0.222 294 P C 0.801 178.118 177.300 0.028 0.000 1.153 294 P CA 1.059 64.175 63.100 0.028 0.000 0.798 294 P CB 0.339 32.044 31.700 0.009 0.000 0.796 295 N N -0.347 118.383 118.700 0.051 0.000 2.280 295 N HA 0.036 4.776 4.740 -0.000 0.000 0.192 295 N C -0.080 175.437 175.510 0.011 0.000 1.109 295 N CA 0.033 53.095 53.050 0.020 0.000 0.855 295 N CB -0.142 38.355 38.487 0.017 0.000 0.974 295 N HN -0.029 nan 8.380 nan 0.000 0.482 296 V N 1.791 121.723 119.914 0.031 0.000 2.427 296 V HA 0.343 4.463 4.120 -0.000 0.000 0.286 296 V C 0.077 176.168 176.094 -0.004 0.000 1.034 296 V CA -0.771 61.540 62.300 0.017 0.000 0.893 296 V CB 1.817 33.663 31.823 0.039 0.000 0.982 296 V HN 0.106 nan 8.190 nan 0.000 0.452 297 L N 7.838 129.046 121.223 -0.026 0.000 2.277 297 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 297 L C -2.502 174.329 176.870 -0.064 0.000 1.028 297 L CA -1.513 53.273 54.840 -0.091 0.000 0.835 297 L CB 1.575 43.524 42.059 -0.183 0.000 1.215 297 L HN 0.423 nan 8.230 nan 0.000 0.425 298 P HA 0.312 nan 4.420 nan 0.000 0.300 298 P C -0.989 176.356 177.300 0.074 0.000 1.326 298 P CA -0.498 62.635 63.100 0.054 0.000 0.844 298 P CB 1.902 33.611 31.700 0.015 0.000 0.992 299 S N 1.306 117.141 115.700 0.224 0.000 2.599 299 S HA 0.716 5.186 4.470 -0.000 0.000 0.294 299 S C -0.278 174.449 174.600 0.212 0.000 1.094 299 S CA -0.659 57.691 58.200 0.250 0.000 0.931 299 S CB 1.143 64.624 63.200 0.469 0.000 1.093 299 S HN 0.251 nan 8.310 nan 0.000 0.488 300 S N 1.430 117.259 115.700 0.215 0.000 2.651 300 S HA 0.771 5.241 4.470 -0.000 0.000 0.291 300 S C 0.413 175.092 174.600 0.133 0.000 1.141 300 S CA -0.710 57.609 58.200 0.200 0.000 1.027 300 S CB 1.386 64.770 63.200 0.308 0.000 1.043 300 S HN 0.991 nan 8.310 nan 0.000 0.530 301 T N -0.303 114.306 114.554 0.091 0.000 2.884 301 T HA 0.348 4.698 4.350 -0.000 0.000 0.277 301 T C 0.758 175.465 174.700 0.011 0.000 0.976 301 T CA -0.719 61.370 62.100 -0.017 0.000 0.956 301 T CB 0.389 69.198 68.868 -0.099 0.000 1.113 301 T HN 0.583 nan 8.240 nan 0.000 0.554 302 N N -0.999 117.687 118.700 -0.024 0.000 2.254 302 N HA 0.175 4.915 4.740 -0.000 0.000 0.190 302 N C -1.807 173.718 175.510 0.025 0.000 1.107 302 N CA -0.742 52.305 53.050 -0.006 0.000 0.869 302 N CB -0.917 37.547 38.487 -0.039 0.000 0.983 302 N HN 0.345 nan 8.380 nan 0.000 0.487 303 P HA 0.038 nan 4.420 nan 0.000 0.231 303 P C 0.858 178.299 177.300 0.236 0.000 1.168 303 P CA 1.310 64.491 63.100 0.135 0.000 0.779 303 P CB -0.103 31.647 31.700 0.084 0.000 0.844 304 T N -3.915 110.725 114.554 0.142 0.000 3.129 304 T HA 0.145 4.495 4.350 -0.000 0.000 0.251 304 T C 0.783 175.520 174.700 0.061 0.000 1.117 304 T CA -0.122 61.991 62.100 0.021 0.000 1.034 304 T CB -0.304 68.536 68.868 -0.046 0.000 0.968 304 T HN -0.097 nan 8.240 nan 0.000 0.526 305 R N 2.665 123.206 120.500 0.069 0.000 2.295 305 R HA 0.463 4.802 4.340 -0.000 0.000 0.324 305 R C -2.791 173.539 176.300 0.050 0.000 0.968 305 R CA -2.317 53.817 56.100 0.058 0.000 0.837 305 R CB 1.293 31.601 30.300 0.013 0.000 1.133 305 R HN 0.281 nan 8.270 nan 0.000 0.450 306 P HA 0.211 nan 4.420 nan 0.000 0.306 306 P C -0.607 176.796 177.300 0.173 0.000 1.309 306 P CA -0.702 62.466 63.100 0.113 0.000 0.759 306 P CB 0.528 32.286 31.700 0.097 0.000 1.314 307 F N 1.495 121.452 119.950 0.011 0.000 2.466 307 F HA 0.361 4.888 4.527 -0.000 0.000 0.363 307 F C 0.167 175.967 175.800 0.000 0.000 1.109 307 F CA -0.051 57.945 58.000 -0.007 0.000 1.161 307 F CB -0.742 38.256 39.000 -0.003 0.000 1.117 307 F HN 0.266 nan 8.300 nan 0.000 0.539 308 T N 2.324 116.829 114.554 -0.082 0.000 2.926 308 T HA 0.442 4.792 4.350 -0.000 0.000 0.289 308 T C 1.029 175.566 174.700 -0.271 0.000 1.054 308 T CA -0.172 61.806 62.100 -0.204 0.000 1.015 308 T CB 1.183 70.018 68.868 -0.055 0.000 1.167 308 T HN 0.578 nan 8.240 nan 0.000 0.526 309 V N -0.240 119.548 119.914 -0.210 0.000 2.759 309 V HA -0.010 4.110 4.120 -0.000 0.000 0.256 309 V C 1.781 177.841 176.094 -0.056 0.000 1.080 309 V CA 1.352 63.559 62.300 -0.155 0.000 1.101 309 V CB -1.112 30.645 31.823 -0.110 0.000 0.698 309 V HN 0.800 nan 8.190 nan 0.000 0.477 310 N N 0.476 119.163 118.700 -0.021 0.000 2.424 310 N HA -0.021 4.719 4.740 -0.000 0.000 0.178 310 N C 1.742 177.296 175.510 0.073 0.000 1.060 310 N CA 1.263 54.328 53.050 0.025 0.000 0.901 310 N CB -0.023 38.478 38.487 0.025 0.000 0.979 310 N HN 0.551 nan 8.380 nan 0.000 0.451 311 T N 2.316 116.925 114.554 0.091 0.000 2.620 311 T HA -0.141 4.208 4.350 -0.000 0.000 0.267 311 T C 1.924 176.717 174.700 0.154 0.000 1.044 311 T CA 0.962 63.149 62.100 0.146 0.000 1.161 311 T CB -0.012 68.949 68.868 0.154 0.000 0.862 311 T HN 0.127 nan 8.240 nan 0.000 0.438 312 I N 1.563 122.208 120.570 0.125 0.000 2.202 312 I HA -0.103 4.066 4.170 -0.000 0.000 0.242 312 I C 2.256 178.439 176.117 0.111 0.000 1.091 312 I CA 1.327 62.685 61.300 0.096 0.000 1.368 312 I CB -1.265 36.797 38.000 0.103 0.000 1.058 312 I HN 0.197 nan 8.210 nan 0.000 0.410 313 D N 0.872 121.327 120.400 0.092 0.000 2.123 313 D HA -0.240 4.400 4.640 -0.000 0.000 0.196 313 D C 2.064 178.410 176.300 0.076 0.000 0.992 313 D CA 1.643 55.684 54.000 0.069 0.000 0.833 313 D CB -0.164 40.665 40.800 0.048 0.000 0.954 313 D HN 0.611 nan 8.370 nan 0.000 0.455 314 E N -0.172 120.093 120.200 0.107 0.000 2.107 314 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 314 E C 1.741 178.364 176.600 0.040 0.000 0.982 314 E CA 1.078 57.519 56.400 0.068 0.000 0.809 314 E CB -0.235 29.501 29.700 0.061 0.000 0.756 314 E HN 0.308 nan 8.360 nan 0.000 0.459 315 H N 0.640 119.706 119.070 -0.007 0.000 2.333 315 H HA 0.062 4.618 4.556 -0.000 0.000 0.302 315 H C 2.097 177.404 175.328 -0.036 0.000 1.075 315 H CA 1.573 57.605 56.048 -0.027 0.000 1.348 315 H CB -0.201 29.540 29.762 -0.036 0.000 1.393 315 H HN 0.076 nan 8.280 nan 0.000 0.509 316 L N 0.040 121.326 121.223 0.105 0.000 1.971 316 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 316 L C 2.139 179.020 176.870 0.018 0.000 1.072 316 L CA 1.980 56.842 54.840 0.037 0.000 0.758 316 L CB -0.359 41.720 42.059 0.033 0.000 0.889 316 L HN 0.314 nan 8.230 nan 0.000 0.433 317 D N -0.707 119.704 120.400 0.019 0.000 2.097 317 D HA -0.257 4.383 4.640 -0.000 0.000 0.195 317 D C 2.268 178.563 176.300 -0.008 0.000 0.989 317 D CA 1.190 55.194 54.000 0.007 0.000 0.827 317 D CB 0.011 40.813 40.800 0.003 0.000 0.966 317 D HN 0.155 nan 8.370 nan 0.000 0.456 318 M N -0.307 119.270 119.600 -0.038 0.000 2.073 318 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 318 M C 1.981 178.270 176.300 -0.019 0.000 1.070 318 M CA 1.315 56.578 55.300 -0.061 0.000 1.103 318 M CB -0.174 32.331 32.600 -0.158 0.000 1.321 318 M HN 0.187 nan 8.290 nan 0.000 0.405 319 L N 0.763 121.968 121.223 -0.031 0.000 2.012 319 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 319 L C 2.311 179.205 176.870 0.040 0.000 1.073 319 L CA 1.886 56.705 54.840 -0.034 0.000 0.748 319 L CB -0.562 41.435 42.059 -0.104 0.000 0.891 319 L HN 0.372 nan 8.230 nan 0.000 0.431 320 M N -0.963 118.666 119.600 0.047 0.000 2.086 320 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 320 M C 2.410 178.775 176.300 0.109 0.000 1.067 320 M CA 2.112 57.465 55.300 0.088 0.000 1.116 320 M CB -1.630 31.004 32.600 0.056 0.000 1.348 320 M HN 0.420 nan 8.290 nan 0.000 0.407 321 V N -1.721 118.232 119.914 0.066 0.000 2.453 321 V HA -0.169 3.950 4.120 -0.000 0.000 0.247 321 V C 2.190 178.361 176.094 0.127 0.000 1.048 321 V CA 1.680 64.005 62.300 0.042 0.000 1.049 321 V CB -1.208 30.610 31.823 -0.008 0.000 0.672 321 V HN 0.475 nan 8.190 nan 0.000 0.457 322 C N 0.431 119.836 119.300 0.174 0.000 2.481 322 C HA 0.144 4.604 4.460 -0.000 0.000 0.275 322 C C 2.274 177.470 174.990 0.343 0.000 1.419 322 C CA 0.748 59.913 59.018 0.245 0.000 1.773 322 C CB -1.935 25.910 27.740 0.174 0.000 1.862 322 C HN 0.696 nan 8.230 nan 0.000 0.530 323 H N -1.207 117.976 119.070 0.189 0.000 2.586 323 H HA 0.035 4.591 4.556 -0.000 0.000 0.273 323 H C 0.022 175.446 175.328 0.160 0.000 0.997 323 H CA 0.069 56.176 56.048 0.098 0.000 1.177 323 H CB 0.133 29.962 29.762 0.111 0.000 1.471 323 H HN 0.484 nan 8.280 nan 0.000 0.538 324 H N -0.543 118.586 119.070 0.098 0.000 2.713 324 H HA -0.145 4.410 4.556 -0.000 0.000 0.311 324 H C -0.089 175.273 175.328 0.057 0.000 1.175 324 H CA 0.203 56.279 56.048 0.047 0.000 1.143 324 H CB -2.544 27.222 29.762 0.006 0.000 1.434 324 H HN 0.348 nan 8.280 nan 0.000 0.418 325 L N -0.366 120.977 121.223 0.199 0.000 2.453 325 L HA 0.312 4.652 4.340 -0.000 0.000 0.261 325 L C 0.783 177.710 176.870 0.095 0.000 1.179 325 L CA 0.054 54.980 54.840 0.144 0.000 0.813 325 L CB 0.601 42.759 42.059 0.164 0.000 1.110 325 L HN 0.088 nan 8.230 nan 0.000 0.466 326 K N 0.412 120.858 120.400 0.077 0.000 2.471 326 K HA 0.236 4.555 4.320 -0.000 0.000 0.252 326 K C -0.007 176.623 176.600 0.051 0.000 0.938 326 K CA -0.400 55.919 56.287 0.053 0.000 0.796 326 K CB 1.871 34.396 32.500 0.043 0.000 1.161 326 K HN 0.377 nan 8.250 nan 0.000 0.425 327 Q N 0.895 120.720 119.800 0.041 0.000 2.561 327 Q HA -0.163 4.176 4.340 -0.000 0.000 0.217 327 Q C 1.018 177.038 176.000 0.033 0.000 0.980 327 Q CA 1.026 56.852 55.803 0.038 0.000 0.927 327 Q CB -0.010 28.746 28.738 0.030 0.000 0.980 327 Q HN 0.520 nan 8.270 nan 0.000 0.525 328 N N 0.483 119.202 118.700 0.031 0.000 2.336 328 N HA -0.060 4.680 4.740 -0.000 0.000 0.177 328 N C 0.418 175.946 175.510 0.030 0.000 1.018 328 N CA 0.511 53.577 53.050 0.026 0.000 0.878 328 N CB -0.061 38.440 38.487 0.022 0.000 0.997 328 N HN 0.124 nan 8.380 nan 0.000 0.433 329 I N 2.308 122.899 120.570 0.036 0.000 2.322 329 I HA 0.174 4.344 4.170 -0.000 0.000 0.292 329 I C -1.374 174.771 176.117 0.047 0.000 1.060 329 I CA -1.959 59.364 61.300 0.037 0.000 1.309 329 I CB 1.486 39.508 38.000 0.037 0.000 1.415 329 I HN -0.061 nan 8.210 nan 0.000 0.492 330 P HA -0.175 nan 4.420 nan 0.000 0.216 330 P C 1.081 178.420 177.300 0.066 0.000 1.150 330 P CA 1.344 64.473 63.100 0.049 0.000 0.837 330 P CB 0.304 32.029 31.700 0.040 0.000 0.786 331 E N -0.345 119.894 120.200 0.065 0.000 2.110 331 E HA -0.163 4.186 4.350 -0.000 0.000 0.193 331 E C 1.785 178.460 176.600 0.126 0.000 0.988 331 E CA 1.181 57.631 56.400 0.083 0.000 0.804 331 E CB -0.824 28.910 29.700 0.056 0.000 0.745 331 E HN 0.234 nan 8.360 nan 0.000 0.458 332 D N -0.404 120.061 120.400 0.109 0.000 2.149 332 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 332 D C 1.819 178.236 176.300 0.194 0.000 0.990 332 D CA 0.874 54.967 54.000 0.154 0.000 0.839 332 D CB -0.048 40.818 40.800 0.110 0.000 0.948 332 D HN 0.060 nan 8.370 nan 0.000 0.460 333 V N 0.757 120.747 119.914 0.126 0.000 2.535 333 V HA -0.047 4.072 4.120 -0.000 0.000 0.246 333 V C 2.412 178.560 176.094 0.090 0.000 1.045 333 V CA 1.261 63.619 62.300 0.097 0.000 1.058 333 V CB -0.517 31.347 31.823 0.067 0.000 0.689 333 V HN 0.145 nan 8.190 nan 0.000 0.461 334 A N 0.182 123.066 122.820 0.107 0.000 1.902 334 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 334 A C 2.097 179.759 177.584 0.130 0.000 1.181 334 A CA 2.063 54.164 52.037 0.106 0.000 0.623 334 A CB -0.710 18.355 19.000 0.109 0.000 0.818 334 A HN 0.536 nan 8.150 nan 0.000 0.443 335 F N 1.196 121.166 119.950 0.033 0.000 2.069 335 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 335 F C 2.491 178.289 175.800 -0.003 0.000 1.113 335 F CA 1.387 59.399 58.000 0.021 0.000 1.214 335 F CB -0.682 38.329 39.000 0.019 0.000 0.978 335 F HN 0.246 nan 8.300 nan 0.000 0.474 336 A N 0.176 122.890 122.820 -0.177 0.000 1.883 336 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 336 A C 1.983 179.437 177.584 -0.217 0.000 1.186 336 A CA 2.092 53.956 52.037 -0.288 0.000 0.624 336 A CB -1.162 17.801 19.000 -0.063 0.000 0.822 336 A HN 0.497 nan 8.150 nan 0.000 0.444 337 D N -0.193 120.158 120.400 -0.082 0.000 2.178 337 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 337 D C 2.368 178.676 176.300 0.013 0.000 0.980 337 D CA 1.661 55.654 54.000 -0.011 0.000 0.842 337 D CB -0.277 40.547 40.800 0.040 0.000 0.948 337 D HN 0.598 nan 8.370 nan 0.000 0.472 338 S N -0.300 115.370 115.700 -0.050 0.000 2.489 338 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 338 S C 1.863 176.295 174.600 -0.279 0.000 0.995 338 S CA 0.441 58.597 58.200 -0.072 0.000 0.934 338 S CB 0.250 63.441 63.200 -0.014 0.000 0.771 338 S HN 0.139 nan 8.310 nan 0.000 0.522 339 R N -0.087 120.199 120.500 -0.357 0.000 2.167 339 R HA 0.336 4.676 4.340 -0.000 0.000 0.201 339 R C -0.215 175.913 176.300 -0.286 0.000 1.024 339 R CA 0.267 56.132 56.100 -0.393 0.000 1.053 339 R CB 0.243 30.165 30.300 -0.630 0.000 0.987 339 R HN 0.316 nan 8.270 nan 0.000 0.493 340 I N 3.166 123.602 120.570 -0.223 0.000 2.307 340 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 340 I C -0.801 175.248 176.117 -0.113 0.000 1.054 340 I CA -0.221 60.990 61.300 -0.149 0.000 1.218 340 I CB 1.031 38.979 38.000 -0.086 0.000 1.398 340 I HN 0.160 nan 8.210 nan 0.000 0.475 341 R N 7.513 127.926 120.500 -0.144 0.000 2.513 341 R HA 0.390 4.729 4.340 -0.000 0.000 0.301 341 R C -1.794 174.414 176.300 -0.153 0.000 0.968 341 R CA -1.403 54.646 56.100 -0.085 0.000 0.872 341 R CB 2.032 32.262 30.300 -0.118 0.000 1.177 341 R HN 0.197 nan 8.270 nan 0.000 0.444 342 P HA -0.147 nan 4.420 nan 0.000 0.218 342 P C 0.265 177.371 177.300 -0.322 0.000 1.149 342 P CA 1.239 64.189 63.100 -0.251 0.000 0.817 342 P CB 0.481 32.174 31.700 -0.011 0.000 0.785 343 E N -0.245 119.882 120.200 -0.122 0.000 2.077 343 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 343 E C 2.110 178.630 176.600 -0.134 0.000 0.989 343 E CA 2.136 58.486 56.400 -0.082 0.000 0.800 343 E CB -1.407 28.315 29.700 0.036 0.000 0.746 343 E HN 0.411 nan 8.360 nan 0.000 0.452 344 T N -1.320 113.144 114.554 -0.150 0.000 2.978 344 T HA 0.044 4.394 4.350 -0.000 0.000 0.262 344 T C 2.029 176.609 174.700 -0.200 0.000 1.063 344 T CA 0.492 62.502 62.100 -0.150 0.000 1.140 344 T CB -0.290 68.490 68.868 -0.147 0.000 0.886 344 T HN 0.028 nan 8.240 nan 0.000 0.470 345 I N 2.016 122.397 120.570 -0.314 0.000 2.202 345 I HA -0.058 4.112 4.170 -0.000 0.000 0.242 345 I C 3.220 179.092 176.117 -0.408 0.000 1.091 345 I CA 1.091 62.169 61.300 -0.370 0.000 1.368 345 I CB -0.627 37.072 38.000 -0.501 0.000 1.058 345 I HN 0.307 nan 8.210 nan 0.000 0.410 346 A N 0.924 123.363 122.820 -0.634 0.000 1.917 346 A HA -0.230 4.089 4.320 -0.000 0.000 0.219 346 A C 2.508 180.044 177.584 -0.079 0.000 1.182 346 A CA 2.142 53.992 52.037 -0.311 0.000 0.633 346 A CB -0.884 17.988 19.000 -0.215 0.000 0.819 346 A HN 0.451 nan 8.150 nan 0.000 0.448 347 A N -0.773 121.989 122.820 -0.097 0.000 2.015 347 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 347 A C 1.981 179.549 177.584 -0.027 0.000 1.163 347 A CA 1.565 53.579 52.037 -0.040 0.000 0.646 347 A CB -0.446 18.527 19.000 -0.044 0.000 0.806 347 A HN 0.694 nan 8.150 nan 0.000 0.448 348 E N 0.008 120.181 120.200 -0.044 0.000 2.150 348 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 348 E C 1.044 177.693 176.600 0.080 0.000 0.985 348 E CA 1.211 57.601 56.400 -0.016 0.000 0.814 348 E CB -0.108 29.583 29.700 -0.015 0.000 0.752 348 E HN 0.516 nan 8.360 nan 0.000 0.466 349 D N 0.589 121.056 120.400 0.112 0.000 2.092 349 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 349 D C 1.998 178.405 176.300 0.178 0.000 0.994 349 D CA 1.248 55.358 54.000 0.184 0.000 0.828 349 D CB -0.209 40.694 40.800 0.173 0.000 0.963 349 D HN 0.327 nan 8.370 nan 0.000 0.450 350 I N 0.364 121.002 120.570 0.114 0.000 2.353 350 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 350 I C 2.304 178.460 176.117 0.064 0.000 1.119 350 I CA 0.465 61.823 61.300 0.098 0.000 1.417 350 I CB -0.149 37.893 38.000 0.070 0.000 1.078 350 I HN -0.032 nan 8.210 nan 0.000 0.421 351 L N -0.150 121.079 121.223 0.010 0.000 2.131 351 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 351 L C 2.692 179.503 176.870 -0.099 0.000 1.092 351 L CA 1.115 55.922 54.840 -0.055 0.000 0.759 351 L CB -0.966 41.027 42.059 -0.110 0.000 0.903 351 L HN 0.362 nan 8.230 nan 0.000 0.435 352 H N -0.329 118.728 119.070 -0.021 0.000 2.326 352 H HA -0.180 4.376 4.556 -0.000 0.000 0.301 352 H C 1.782 177.014 175.328 -0.160 0.000 1.081 352 H CA 1.897 57.876 56.048 -0.115 0.000 1.334 352 H CB -0.041 29.665 29.762 -0.092 0.000 1.385 352 H HN 0.307 nan 8.280 nan 0.000 0.504 353 D N 0.281 120.776 120.400 0.158 0.000 2.218 353 D HA -0.083 4.557 4.640 -0.000 0.000 0.204 353 D C 2.045 178.434 176.300 0.148 0.000 0.976 353 D CA 0.399 54.528 54.000 0.215 0.000 0.853 353 D CB -0.065 40.895 40.800 0.267 0.000 0.939 353 D HN 0.243 nan 8.370 nan 0.000 0.481 354 L N -1.415 119.864 121.223 0.094 0.000 2.558 354 L HA 0.234 4.574 4.340 -0.000 0.000 0.225 354 L C 1.503 178.419 176.870 0.076 0.000 1.128 354 L CA 0.444 55.340 54.840 0.093 0.000 0.868 354 L CB 0.078 42.173 42.059 0.059 0.000 1.006 354 L HN 0.211 nan 8.230 nan 0.000 0.454 355 G N 0.196 109.008 108.800 0.021 0.000 2.137 355 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.237 355 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.237 355 G C 0.647 175.535 174.900 -0.020 0.000 1.002 355 G CA 0.352 45.455 45.100 0.005 0.000 0.702 355 G HN 0.356 nan 8.290 nan 0.000 0.515 356 I N -0.326 120.214 120.570 -0.050 0.000 2.867 356 I HA 0.288 4.458 4.170 -0.000 0.000 0.265 356 I C 1.242 177.295 176.117 -0.106 0.000 1.162 356 I CA 0.533 61.795 61.300 -0.062 0.000 1.471 356 I CB 0.148 38.119 38.000 -0.049 0.000 1.123 356 I HN 0.161 nan 8.210 nan 0.000 0.440 357 I N 0.311 120.760 120.570 -0.203 0.000 2.321 357 I HA 0.111 4.281 4.170 -0.000 0.000 0.291 357 I C 0.902 176.928 176.117 -0.152 0.000 0.998 357 I CA 0.043 61.188 61.300 -0.260 0.000 1.227 357 I CB 1.680 39.324 38.000 -0.592 0.000 1.368 357 I HN -0.064 nan 8.210 nan 0.000 0.466 358 S N 5.668 121.329 115.700 -0.065 0.000 2.503 358 S HA 0.306 4.776 4.470 -0.000 0.000 0.217 358 S C 0.439 175.038 174.600 -0.001 0.000 0.999 358 S CA 0.445 58.622 58.200 -0.038 0.000 0.914 358 S CB 0.140 63.301 63.200 -0.066 0.000 0.782 358 S HN 0.541 nan 8.310 nan 0.000 0.520 359 M N 0.684 120.321 119.600 0.062 0.000 2.593 359 M HA 0.496 4.976 4.480 -0.000 0.000 0.290 359 M C -1.280 175.128 176.300 0.180 0.000 1.244 359 M CA -0.366 54.983 55.300 0.082 0.000 0.857 359 M CB 2.123 34.742 32.600 0.032 0.000 1.738 359 M HN 0.022 nan 8.290 nan 0.000 0.461 360 M N 0.979 120.658 119.600 0.131 0.000 2.724 360 M HA 0.761 5.241 4.480 -0.000 0.000 0.310 360 M C -0.523 175.845 176.300 0.114 0.000 1.217 360 M CA -0.437 54.926 55.300 0.105 0.000 0.894 360 M CB 2.171 34.791 32.600 0.033 0.000 1.719 360 M HN 0.884 nan 8.290 nan 0.000 0.479 361 S N -0.932 114.810 115.700 0.071 0.000 2.636 361 S HA 0.537 5.007 4.470 -0.000 0.000 0.266 361 S C 0.142 174.725 174.600 -0.029 0.000 1.147 361 S CA 0.022 58.249 58.200 0.046 0.000 0.815 361 S CB 1.293 64.531 63.200 0.063 0.000 1.119 361 S HN 0.771 nan 8.310 nan 0.000 0.470 362 T N -2.528 111.994 114.554 -0.054 0.000 2.988 362 T HA 0.259 4.609 4.350 -0.000 0.000 0.240 362 T C 0.430 175.022 174.700 -0.180 0.000 1.014 362 T CA 1.209 63.256 62.100 -0.088 0.000 1.155 362 T CB -0.744 68.089 68.868 -0.057 0.000 0.872 362 T HN 0.964 nan 8.240 nan 0.000 0.440 363 D N 1.461 121.700 120.400 -0.269 0.000 2.988 363 D HA -0.114 4.525 4.640 -0.000 0.000 0.221 363 D C 0.169 176.427 176.300 -0.070 0.000 1.122 363 D CA 0.736 54.530 54.000 -0.343 0.000 0.821 363 D CB -1.662 38.845 40.800 -0.487 0.000 1.098 363 D HN 0.931 nan 8.370 nan 0.000 0.433 364 A N 0.528 123.341 122.820 -0.011 0.000 2.572 364 A HA 0.243 4.563 4.320 -0.000 0.000 0.256 364 A C 1.885 179.449 177.584 -0.034 0.000 1.041 364 A CA 1.166 53.187 52.037 -0.027 0.000 0.790 364 A CB -0.250 18.730 19.000 -0.034 0.000 0.947 364 A HN 0.948 nan 8.150 nan 0.000 0.518 365 L N -0.404 120.772 121.223 -0.078 0.000 4.696 365 L HA -0.381 3.959 4.340 -0.000 0.000 0.425 365 L C 1.571 178.331 176.870 -0.183 0.000 1.115 365 L CA 0.990 55.773 54.840 -0.095 0.000 0.996 365 L CB -1.797 40.235 42.059 -0.045 0.000 2.077 365 L HN 0.929 nan 8.230 nan 0.000 0.792 366 A N -1.008 121.630 122.820 -0.303 0.000 2.026 366 A HA 0.465 4.784 4.320 -0.000 0.000 0.198 366 A C 1.183 178.641 177.584 -0.210 0.000 1.390 366 A CA 0.882 52.666 52.037 -0.422 0.000 0.915 366 A CB 0.541 18.868 19.000 -1.122 0.000 0.974 366 A HN 0.381 nan 8.150 nan 0.000 0.477 367 M N -0.676 118.820 119.600 -0.173 0.000 5.565 367 M HA 0.402 4.882 4.480 -0.000 0.000 0.653 367 M C -0.634 175.587 176.300 -0.132 0.000 2.419 367 M CA 0.345 55.567 55.300 -0.129 0.000 0.290 367 M CB 0.689 33.237 32.600 -0.088 0.000 1.486 367 M HN 0.519 nan 8.290 nan 0.000 0.699 368 G N 1.093 109.816 108.800 -0.129 0.000 2.519 368 G HA2 0.524 4.484 3.960 -0.000 0.000 0.292 368 G HA3 0.524 4.484 3.960 -0.000 0.000 0.292 368 G C -2.005 172.839 174.900 -0.093 0.000 1.507 368 G CA -0.976 44.057 45.100 -0.112 0.000 0.806 368 G HN 0.331 nan 8.290 nan 0.000 0.523 369 R N 0.768 121.220 120.500 -0.080 0.000 2.265 369 R HA 0.538 4.878 4.340 -0.000 0.000 0.328 369 R C 1.247 177.509 176.300 -0.063 0.000 0.969 369 R CA 0.012 56.069 56.100 -0.072 0.000 0.832 369 R CB 1.778 32.032 30.300 -0.076 0.000 1.139 369 R HN 0.650 nan 8.270 nan 0.000 0.457 370 A N 2.737 125.524 122.820 -0.054 0.000 2.024 370 A HA -0.102 4.217 4.320 -0.000 0.000 0.220 370 A C 1.552 179.112 177.584 -0.041 0.000 1.164 370 A CA 1.822 53.832 52.037 -0.044 0.000 0.643 370 A CB -0.130 18.847 19.000 -0.038 0.000 0.806 370 A HN 0.816 nan 8.150 nan 0.000 0.451 371 G N -1.398 107.377 108.800 -0.041 0.000 3.690 371 G HA2 0.395 4.355 3.960 -0.000 0.000 0.283 371 G HA3 0.395 4.355 3.960 -0.000 0.000 0.283 371 G C 0.399 175.283 174.900 -0.027 0.000 1.057 371 G CA 0.095 45.179 45.100 -0.027 0.000 0.821 371 G HN 0.534 nan 8.290 nan 0.000 0.526 372 E N -0.237 119.932 120.200 -0.051 0.000 2.758 372 E HA 0.172 4.522 4.350 -0.000 0.000 0.215 372 E C 1.634 178.183 176.600 -0.086 0.000 0.985 372 E CA -0.332 56.032 56.400 -0.062 0.000 1.102 372 E CB 0.551 30.206 29.700 -0.075 0.000 1.042 372 E HN 0.390 nan 8.360 nan 0.000 0.480 373 M N 0.585 120.124 119.600 -0.102 0.000 2.099 373 M HA -0.135 4.344 4.480 -0.000 0.000 0.262 373 M C 1.814 177.947 176.300 -0.279 0.000 1.067 373 M CA 1.621 56.837 55.300 -0.141 0.000 1.124 373 M CB 0.156 32.697 32.600 -0.099 0.000 1.353 373 M HN 0.027 nan 8.290 nan 0.000 0.410 374 V N 0.871 120.564 119.914 -0.367 0.000 2.307 374 V HA -0.260 3.859 4.120 -0.000 0.000 0.245 374 V C 2.397 178.325 176.094 -0.277 0.000 1.045 374 V CA 1.638 63.578 62.300 -0.600 0.000 1.024 374 V CB -0.987 30.552 31.823 -0.474 0.000 0.651 374 V HN 0.564 nan 8.190 nan 0.000 0.449 375 L N 0.383 121.525 121.223 -0.136 0.000 1.990 375 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 375 L C 2.629 179.481 176.870 -0.031 0.000 1.072 375 L CA 2.143 56.960 54.840 -0.038 0.000 0.755 375 L CB -0.499 41.562 42.059 0.002 0.000 0.889 375 L HN 0.183 nan 8.230 nan 0.000 0.432 376 R N -1.715 118.739 120.500 -0.076 0.000 2.189 376 R HA -0.057 4.283 4.340 -0.000 0.000 0.218 376 R C 2.016 178.247 176.300 -0.115 0.000 1.074 376 R CA 1.298 57.358 56.100 -0.066 0.000 0.991 376 R CB -0.504 29.763 30.300 -0.055 0.000 0.883 376 R HN 0.426 nan 8.270 nan 0.000 0.457 377 T N 0.052 114.474 114.554 -0.220 0.000 2.684 377 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 377 T C 1.228 175.673 174.700 -0.424 0.000 1.036 377 T CA 1.551 63.455 62.100 -0.326 0.000 1.148 377 T CB -0.230 68.382 68.868 -0.427 0.000 0.863 377 T HN 0.442 nan 8.240 nan 0.000 0.436 378 W N 1.406 122.681 121.300 -0.041 0.000 2.418 378 W HA 0.038 4.698 4.660 -0.000 0.000 0.292 378 W C 2.708 179.159 176.519 -0.113 0.000 1.213 378 W CA 0.111 57.405 57.345 -0.084 0.000 1.283 378 W CB -0.380 29.055 29.460 -0.042 0.000 1.119 378 W HN 0.283 nan 8.180 nan 0.000 0.542 379 Q N -0.206 119.641 119.800 0.078 0.000 2.135 379 Q HA -0.170 4.169 4.340 -0.000 0.000 0.204 379 Q C 2.036 178.036 176.000 -0.000 0.000 0.981 379 Q CA 2.257 58.084 55.803 0.041 0.000 0.856 379 Q CB -0.573 28.188 28.738 0.038 0.000 0.902 379 Q HN 0.218 nan 8.270 nan 0.000 0.425 380 T N 0.739 115.275 114.554 -0.030 0.000 2.674 380 T HA -0.174 4.175 4.350 -0.000 0.000 0.265 380 T C 1.917 176.551 174.700 -0.110 0.000 1.039 380 T CA 1.283 63.380 62.100 -0.005 0.000 1.150 380 T CB -0.385 68.515 68.868 0.054 0.000 0.864 380 T HN 0.414 nan 8.240 nan 0.000 0.427 381 A N 1.545 124.095 122.820 -0.450 0.000 1.908 381 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 381 A C 2.078 179.516 177.584 -0.243 0.000 1.181 381 A CA 2.269 53.840 52.037 -0.777 0.000 0.627 381 A CB -0.962 17.351 19.000 -1.145 0.000 0.818 381 A HN 0.580 nan 8.150 nan 0.000 0.445 382 D N -0.762 119.580 120.400 -0.097 0.000 2.117 382 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 382 D C 1.972 178.272 176.300 0.000 0.000 0.987 382 D CA 1.722 55.710 54.000 -0.020 0.000 0.829 382 D CB -0.096 40.711 40.800 0.012 0.000 0.961 382 D HN 0.515 nan 8.370 nan 0.000 0.460 383 K N -0.616 119.788 120.400 0.006 0.000 2.025 383 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 383 K C 2.036 178.665 176.600 0.048 0.000 1.049 383 K CA 1.033 57.339 56.287 0.032 0.000 0.933 383 K CB -0.016 32.511 32.500 0.046 0.000 0.714 383 K HN 0.117 nan 8.250 nan 0.000 0.438 384 M N 1.349 120.982 119.600 0.055 0.000 2.159 384 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 384 M C 2.163 178.509 176.300 0.076 0.000 1.063 384 M CA 1.595 56.947 55.300 0.088 0.000 1.110 384 M CB -0.817 31.868 32.600 0.142 0.000 1.374 384 M HN 0.190 nan 8.290 nan 0.000 0.411 385 K N 0.801 121.233 120.400 0.052 0.000 2.026 385 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 385 K C 1.937 178.573 176.600 0.061 0.000 1.048 385 K CA 1.449 57.774 56.287 0.063 0.000 0.929 385 K CB 0.050 32.584 32.500 0.057 0.000 0.713 385 K HN 0.248 nan 8.250 nan 0.000 0.439 386 K N 0.155 120.586 120.400 0.051 0.000 2.097 386 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 386 K C 2.323 178.951 176.600 0.048 0.000 1.049 386 K CA 1.718 58.033 56.287 0.047 0.000 0.933 386 K CB -0.025 32.498 32.500 0.038 0.000 0.717 386 K HN 0.355 nan 8.250 nan 0.000 0.442 387 Q N -0.288 119.544 119.800 0.054 0.000 2.297 387 Q HA 0.055 4.395 4.340 -0.000 0.000 0.203 387 Q C 1.590 177.626 176.000 0.060 0.000 0.931 387 Q CA 0.586 56.422 55.803 0.056 0.000 0.885 387 Q CB 0.483 29.259 28.738 0.064 0.000 0.991 387 Q HN 0.195 nan 8.270 nan 0.000 0.498 388 R N -0.394 120.148 120.500 0.069 0.000 2.404 388 R HA 0.227 4.566 4.340 -0.000 0.000 0.237 388 R C 0.342 176.683 176.300 0.068 0.000 0.907 388 R CA 0.425 56.568 56.100 0.072 0.000 1.063 388 R CB 1.331 31.686 30.300 0.091 0.000 1.134 388 R HN 0.176 nan 8.270 nan 0.000 0.529 389 G N 2.721 111.560 108.800 0.066 0.000 2.846 389 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.660 389 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.660 389 G C -2.631 172.314 174.900 0.076 0.000 1.464 389 G CA -1.148 43.990 45.100 0.063 0.000 0.891 389 G HN -0.027 nan 8.290 nan 0.000 0.552 390 P HA 0.303 nan 4.420 nan 0.000 0.266 390 P C 0.826 178.176 177.300 0.084 0.000 1.195 390 P CA -0.153 62.999 63.100 0.088 0.000 0.768 390 P CB 0.329 32.075 31.700 0.075 0.000 0.838 391 L N 1.708 123.002 121.223 0.118 0.000 2.499 391 L HA 0.022 4.361 4.340 -0.000 0.000 0.281 391 L C 2.006 178.878 176.870 0.003 0.000 1.234 391 L CA -0.092 54.805 54.840 0.095 0.000 0.839 391 L CB -0.174 42.005 42.059 0.199 0.000 1.104 391 L HN 0.434 nan 8.230 nan 0.000 0.500 392 A N 1.776 124.575 122.820 -0.036 0.000 1.940 392 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 392 A C 1.880 179.392 177.584 -0.121 0.000 1.176 392 A CA 1.686 53.686 52.037 -0.061 0.000 0.631 392 A CB -0.491 18.475 19.000 -0.057 0.000 0.814 392 A HN 0.891 nan 8.150 nan 0.000 0.446 393 E N 0.873 120.912 120.200 -0.269 0.000 2.515 393 E HA -0.019 4.331 4.350 -0.000 0.000 0.201 393 E C 0.481 176.944 176.600 -0.230 0.000 1.071 393 E CA 0.322 56.477 56.400 -0.408 0.000 0.880 393 E CB 0.013 29.040 29.700 -1.122 0.000 0.828 393 E HN 0.583 nan 8.360 nan 0.000 0.540 394 E N 0.747 120.892 120.200 -0.092 0.000 2.397 394 E HA 0.071 4.421 4.350 -0.000 0.000 0.254 394 E C 0.661 177.272 176.600 0.018 0.000 1.231 394 E CA 0.213 56.629 56.400 0.025 0.000 0.954 394 E CB 0.687 30.424 29.700 0.062 0.000 1.024 394 E HN 0.086 nan 8.360 nan 0.000 0.481 395 K N 0.597 121.021 120.400 0.041 0.000 3.623 395 K HA 0.108 4.428 4.320 -0.000 0.000 0.187 395 K C 1.398 178.007 176.600 0.015 0.000 1.136 395 K CA -0.253 56.052 56.287 0.030 0.000 1.555 395 K CB -0.360 32.166 32.500 0.044 0.000 2.144 395 K HN 0.178 nan 8.250 nan 0.000 0.483 396 N N 0.513 119.219 118.700 0.011 0.000 2.173 396 N HA -0.013 4.727 4.740 -0.000 0.000 0.195 396 N C 1.298 176.797 175.510 -0.019 0.000 1.049 396 N CA 1.110 54.153 53.050 -0.011 0.000 0.977 396 N CB -0.717 37.758 38.487 -0.021 0.000 1.163 396 N HN 0.461 nan 8.380 nan 0.000 0.505 397 G N -0.778 108.000 108.800 -0.036 0.000 3.863 397 G HA2 0.208 4.168 3.960 -0.000 0.000 0.290 397 G HA3 0.208 4.168 3.960 -0.000 0.000 0.290 397 G C -0.273 174.629 174.900 0.003 0.000 1.018 397 G CA -0.178 44.893 45.100 -0.048 0.000 0.824 397 G HN 0.488 nan 8.290 nan 0.000 0.507 398 S N -0.583 115.140 115.700 0.038 0.000 2.610 398 S HA 0.326 4.795 4.470 -0.000 0.000 0.273 398 S C -0.020 174.648 174.600 0.112 0.000 1.274 398 S CA -0.477 57.775 58.200 0.087 0.000 1.023 398 S CB 1.710 64.953 63.200 0.073 0.000 0.962 398 S HN 0.020 nan 8.310 nan 0.000 0.523 399 D N 2.107 122.589 120.400 0.136 0.000 2.491 399 D HA 0.163 4.803 4.640 -0.000 0.000 0.228 399 D C 0.446 176.809 176.300 0.106 0.000 1.183 399 D CA -0.045 54.033 54.000 0.130 0.000 0.827 399 D CB -0.123 40.753 40.800 0.126 0.000 0.989 399 D HN 0.498 nan 8.370 nan 0.000 0.494 400 N N 0.443 119.198 118.700 0.092 0.000 2.104 400 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 400 N C 1.381 176.893 175.510 0.003 0.000 1.024 400 N CA 0.595 53.672 53.050 0.046 0.000 0.853 400 N CB -0.298 38.223 38.487 0.057 0.000 1.008 400 N HN 0.239 nan 8.380 nan 0.000 0.424 401 F N 1.639 121.549 119.950 -0.066 0.000 2.075 401 F HA -0.086 4.441 4.527 -0.000 0.000 0.297 401 F C 2.520 178.249 175.800 -0.118 0.000 1.113 401 F CA 1.395 59.308 58.000 -0.145 0.000 1.218 401 F CB -0.235 38.749 39.000 -0.025 0.000 0.984 401 F HN -0.104 nan 8.300 nan 0.000 0.472 402 R N 0.380 120.951 120.500 0.119 0.000 2.091 402 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 402 R C 2.301 178.684 176.300 0.139 0.000 1.136 402 R CA 1.868 58.056 56.100 0.147 0.000 0.959 402 R CB -0.484 29.941 30.300 0.208 0.000 0.856 402 R HN 0.402 nan 8.270 nan 0.000 0.437 403 L N 0.315 121.607 121.223 0.115 0.000 2.083 403 L HA -0.199 4.140 4.340 -0.000 0.000 0.209 403 L C 2.224 179.165 176.870 0.118 0.000 1.083 403 L CA 1.639 56.641 54.840 0.271 0.000 0.752 403 L CB -0.464 41.669 42.059 0.123 0.000 0.899 403 L HN 0.238 nan 8.230 nan 0.000 0.433 404 K N -0.165 120.084 120.400 -0.251 0.000 2.167 404 K HA -0.139 4.181 4.320 -0.000 0.000 0.203 404 K C 2.203 178.445 176.600 -0.596 0.000 1.052 404 K CA 0.652 56.636 56.287 -0.505 0.000 0.956 404 K CB -0.077 31.830 32.500 -0.987 0.000 0.735 404 K HN 0.167 nan 8.250 nan 0.000 0.451 405 R N 0.227 120.356 120.500 -0.619 0.000 2.081 405 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 405 R C 1.641 177.814 176.300 -0.212 0.000 1.131 405 R CA 1.589 57.480 56.100 -0.348 0.000 0.960 405 R CB -0.179 29.918 30.300 -0.338 0.000 0.856 405 R HN 0.181 nan 8.270 nan 0.000 0.436 406 Y N -0.701 119.459 120.300 -0.234 0.000 2.286 406 Y HA -0.071 4.479 4.550 -0.000 0.000 0.293 406 Y C 2.198 177.871 175.900 -0.377 0.000 1.124 406 Y CA 0.966 58.864 58.100 -0.338 0.000 1.178 406 Y CB -0.232 37.890 38.460 -0.564 0.000 1.010 406 Y HN -0.076 nan 8.280 nan 0.000 0.536 407 V N -0.906 118.968 119.914 -0.066 0.000 2.490 407 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 407 V C 2.026 177.905 176.094 -0.358 0.000 1.061 407 V CA 2.332 64.532 62.300 -0.167 0.000 1.064 407 V CB -0.525 31.405 31.823 0.179 0.000 0.670 407 V HN 0.410 nan 8.190 nan 0.000 0.461 408 S N -0.303 115.321 115.700 -0.127 0.000 2.419 408 S HA -0.200 4.270 4.470 -0.000 0.000 0.233 408 S C 1.788 176.313 174.600 -0.125 0.000 1.016 408 S CA 1.569 59.735 58.200 -0.057 0.000 0.974 408 S CB -0.278 62.978 63.200 0.093 0.000 0.786 408 S HN 0.677 nan 8.310 nan 0.000 0.492 409 K N 0.547 120.859 120.400 -0.146 0.000 2.211 409 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 409 K C 1.393 178.005 176.600 0.020 0.000 1.050 409 K CA 1.273 57.522 56.287 -0.063 0.000 0.945 409 K CB -0.160 32.296 32.500 -0.073 0.000 0.732 409 K HN 0.769 nan 8.250 nan 0.000 0.451 410 Y N -1.425 118.871 120.300 -0.007 0.000 2.557 410 Y HA 0.277 4.826 4.550 -0.000 0.000 0.247 410 Y C 1.235 177.178 175.900 0.072 0.000 1.164 410 Y CA -0.202 57.913 58.100 0.026 0.000 1.218 410 Y CB -0.237 38.233 38.460 0.017 0.000 1.210 410 Y HN -0.068 nan 8.280 nan 0.000 0.529 411 T N -2.529 111.946 114.554 -0.132 0.000 3.518 411 T HA 0.123 4.472 4.350 -0.000 0.000 0.211 411 T C 1.336 176.033 174.700 -0.004 0.000 0.940 411 T CA 0.672 62.760 62.100 -0.021 0.000 1.307 411 T CB -0.752 68.093 68.868 -0.040 0.000 1.392 411 T HN 0.116 nan 8.240 nan 0.000 0.382 412 I N 2.772 123.323 120.570 -0.032 0.000 2.406 412 I HA 0.067 4.236 4.170 -0.000 0.000 0.249 412 I C 1.837 177.871 176.117 -0.139 0.000 1.122 412 I CA 1.104 62.350 61.300 -0.089 0.000 1.431 412 I CB -0.689 37.161 38.000 -0.251 0.000 1.087 412 I HN 0.201 nan 8.210 nan 0.000 0.424 413 N N 1.034 119.655 118.700 -0.132 0.000 2.120 413 N HA -0.090 4.649 4.740 -0.000 0.000 0.188 413 N C -0.836 174.592 175.510 -0.137 0.000 1.024 413 N CA 1.687 54.654 53.050 -0.138 0.000 0.852 413 N CB -1.947 36.469 38.487 -0.117 0.000 1.003 413 N HN 0.310 nan 8.380 nan 0.000 0.424 414 P HA -0.047 nan 4.420 nan 0.000 0.216 414 P C 1.091 178.296 177.300 -0.158 0.000 1.150 414 P CA 1.502 64.544 63.100 -0.097 0.000 0.837 414 P CB -0.033 31.669 31.700 0.003 0.000 0.786 415 A N -0.523 122.211 122.820 -0.143 0.000 1.877 415 A HA -0.172 4.147 4.320 -0.000 0.000 0.216 415 A C 2.232 179.708 177.584 -0.181 0.000 1.186 415 A CA 1.466 53.391 52.037 -0.186 0.000 0.620 415 A CB -1.639 17.295 19.000 -0.110 0.000 0.822 415 A HN 0.087 nan 8.150 nan 0.000 0.443 416 I N -0.062 120.422 120.570 -0.143 0.000 2.163 416 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 416 I C 2.969 179.001 176.117 -0.142 0.000 1.085 416 I CA 1.257 62.482 61.300 -0.125 0.000 1.347 416 I CB -0.374 37.546 38.000 -0.134 0.000 1.044 416 I HN 0.364 nan 8.210 nan 0.000 0.408 417 A N -0.260 122.455 122.820 -0.176 0.000 1.978 417 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 417 A C 2.156 179.641 177.584 -0.166 0.000 1.170 417 A CA 1.465 53.390 52.037 -0.186 0.000 0.636 417 A CB -0.295 18.529 19.000 -0.293 0.000 0.810 417 A HN 0.455 nan 8.150 nan 0.000 0.448 418 Q N -1.951 117.704 119.800 -0.241 0.000 2.356 418 Q HA 0.219 4.559 4.340 -0.000 0.000 0.205 418 Q C 0.965 176.799 176.000 -0.275 0.000 0.901 418 Q CA 0.755 56.351 55.803 -0.346 0.000 0.938 418 Q CB 0.587 28.861 28.738 -0.773 0.000 1.081 418 Q HN 1.015 nan 8.270 nan 0.000 0.517 419 G N 2.221 110.916 108.800 -0.175 0.000 2.140 419 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.211 419 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.211 419 G C 0.505 175.423 174.900 0.030 0.000 1.013 419 G CA 0.429 45.503 45.100 -0.043 0.000 0.705 419 G HN 0.475 nan 8.290 nan 0.000 0.508 420 I N -3.659 116.836 120.570 -0.126 0.000 4.102 420 I HA 0.701 4.870 4.170 -0.000 0.000 0.325 420 I C 1.586 177.579 176.117 -0.208 0.000 1.471 420 I CA 0.388 61.538 61.300 -0.249 0.000 1.133 420 I CB 0.498 37.996 38.000 -0.837 0.000 1.184 420 I HN 0.153 nan 8.210 nan 0.000 0.451 421 A N 1.729 124.533 122.820 -0.027 0.000 2.209 421 A HA -0.106 4.214 4.320 -0.000 0.000 0.212 421 A C 2.129 179.777 177.584 0.107 0.000 1.158 421 A CA 1.238 53.284 52.037 0.016 0.000 0.742 421 A CB -1.044 17.962 19.000 0.009 0.000 0.790 421 A HN 0.767 nan 8.150 nan 0.000 0.472 422 H N -0.981 118.137 119.070 0.080 0.000 2.462 422 H HA 0.047 4.603 4.556 -0.000 0.000 0.292 422 H C 1.006 176.450 175.328 0.194 0.000 1.049 422 H CA 1.302 57.424 56.048 0.123 0.000 1.334 422 H CB -0.098 29.728 29.762 0.107 0.000 1.404 422 H HN 0.498 nan 8.280 nan 0.000 0.544 423 E N 1.169 121.202 120.200 -0.278 0.000 2.206 423 E HA 0.134 4.483 4.350 -0.000 0.000 0.195 423 E C 1.291 177.975 176.600 0.140 0.000 0.935 423 E CA 0.799 57.197 56.400 -0.002 0.000 0.875 423 E CB 0.881 30.593 29.700 0.020 0.000 0.841 423 E HN 0.405 nan 8.360 nan 0.000 0.477 424 V N -4.639 115.332 119.914 0.096 0.000 3.119 424 V HA 0.849 4.968 4.120 -0.000 0.000 0.311 424 V C 0.825 176.981 176.094 0.104 0.000 1.259 424 V CA -0.227 62.162 62.300 0.147 0.000 1.067 424 V CB 1.230 33.173 31.823 0.200 0.000 1.123 424 V HN 0.310 nan 8.190 nan 0.000 0.463 425 G N 0.061 108.937 108.800 0.127 0.000 2.195 425 G HA2 0.059 4.018 3.960 -0.000 0.000 0.224 425 G HA3 0.059 4.018 3.960 -0.000 0.000 0.224 425 G C 0.225 175.223 174.900 0.164 0.000 0.990 425 G CA 0.647 45.814 45.100 0.111 0.000 0.639 425 G HN 2.455 nan 8.290 nan 0.000 0.514 426 S N -1.131 114.687 115.700 0.197 0.000 2.567 426 S HA 0.660 5.130 4.470 -0.000 0.000 0.270 426 S C -0.612 174.097 174.600 0.183 0.000 1.152 426 S CA -0.804 57.543 58.200 0.245 0.000 0.835 426 S CB 1.378 64.830 63.200 0.420 0.000 1.115 426 S HN 0.739 nan 8.310 nan 0.000 0.459 427 I N 1.926 122.587 120.570 0.151 0.000 2.243 427 I HA 0.329 4.499 4.170 -0.000 0.000 0.297 427 I C 0.101 176.282 176.117 0.107 0.000 1.161 427 I CA 0.330 61.697 61.300 0.111 0.000 1.298 427 I CB -0.345 37.705 38.000 0.082 0.000 1.475 427 I HN 0.615 nan 8.210 nan 0.000 0.561 428 E N 4.488 124.758 120.200 0.117 0.000 2.367 428 E HA 0.352 4.702 4.350 -0.000 0.000 0.273 428 E C -0.931 175.736 176.600 0.112 0.000 0.903 428 E CA -0.933 55.532 56.400 0.108 0.000 0.764 428 E CB 2.206 31.982 29.700 0.127 0.000 1.252 428 E HN 0.388 nan 8.360 nan 0.000 0.446 429 E N 0.063 120.316 120.200 0.089 0.000 2.384 429 E HA 0.237 4.586 4.350 -0.000 0.000 0.266 429 E C 0.664 177.339 176.600 0.126 0.000 1.012 429 E CA 0.809 57.264 56.400 0.091 0.000 0.901 429 E CB 0.542 30.276 29.700 0.056 0.000 0.967 429 E HN 0.822 nan 8.360 nan 0.000 0.435 430 G N 2.739 111.637 108.800 0.164 0.000 2.176 430 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.232 430 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.232 430 G C 0.086 175.191 174.900 0.342 0.000 0.986 430 G CA -0.103 45.112 45.100 0.192 0.000 0.643 430 G HN 0.402 nan 8.290 nan 0.000 0.522 431 K N -0.478 120.129 120.400 0.344 0.000 2.166 431 K HA 0.606 4.925 4.320 -0.000 0.000 0.245 431 K C -0.342 176.421 176.600 0.272 0.000 0.967 431 K CA -1.082 55.423 56.287 0.363 0.000 0.863 431 K CB 1.418 34.056 32.500 0.231 0.000 1.107 431 K HN -0.005 nan 8.250 nan 0.000 0.436 432 F N 1.544 121.405 119.950 -0.149 0.000 2.602 432 F HA 0.006 4.533 4.527 -0.000 0.000 0.367 432 F C 0.469 176.126 175.800 -0.237 0.000 1.126 432 F CA -0.358 57.297 58.000 -0.575 0.000 1.321 432 F CB 0.450 39.196 39.000 -0.423 0.000 1.094 432 F HN 0.579 nan 8.300 nan 0.000 0.594 433 A N 4.864 127.309 122.820 -0.625 0.000 3.037 433 A HA 0.204 4.524 4.320 -0.000 0.000 0.272 433 A C -0.630 176.724 177.584 -0.384 0.000 1.723 433 A CA -0.453 51.355 52.037 -0.382 0.000 1.413 433 A CB -1.107 17.700 19.000 -0.323 0.000 1.112 433 A HN 0.554 nan 8.150 nan 0.000 0.606 434 D N 1.539 121.827 120.400 -0.187 0.000 2.443 434 D HA 0.516 5.156 4.640 -0.000 0.000 0.221 434 D C -0.541 175.762 176.300 0.004 0.000 1.097 434 D CA 0.468 54.435 54.000 -0.053 0.000 0.865 434 D CB 0.906 41.768 40.800 0.104 0.000 1.034 434 D HN 0.391 nan 8.370 nan 0.000 0.511 435 L N 1.637 122.848 121.223 -0.021 0.000 2.410 435 L HA 0.521 4.861 4.340 -0.000 0.000 0.270 435 L C -0.645 176.212 176.870 -0.021 0.000 0.983 435 L CA -1.115 53.728 54.840 0.006 0.000 0.822 435 L CB 2.479 44.528 42.059 -0.016 0.000 1.285 435 L HN -0.082 nan 8.230 nan 0.000 0.409 436 V N 3.933 123.846 119.914 -0.001 0.000 2.384 436 V HA 0.417 4.536 4.120 -0.000 0.000 0.287 436 V C -0.210 175.764 176.094 -0.201 0.000 1.020 436 V CA -0.527 61.667 62.300 -0.177 0.000 0.850 436 V CB 1.793 33.470 31.823 -0.244 0.000 0.987 436 V HN 0.422 nan 8.190 nan 0.000 0.436 437 L N 4.972 126.035 121.223 -0.268 0.000 2.292 437 L HA 0.540 4.880 4.340 -0.000 0.000 0.284 437 L C -0.841 175.870 176.870 -0.266 0.000 1.065 437 L CA 0.302 55.064 54.840 -0.131 0.000 0.806 437 L CB 1.050 43.074 42.059 -0.059 0.000 1.175 437 L HN 0.605 nan 8.230 nan 0.000 0.431 438 W N 1.871 123.237 121.300 0.110 0.000 2.739 438 W HA 0.502 5.161 4.660 -0.000 0.000 0.331 438 W C -0.182 176.426 176.519 0.149 0.000 1.049 438 W CA -0.655 56.772 57.345 0.137 0.000 1.234 438 W CB 0.870 30.469 29.460 0.230 0.000 1.404 438 W HN 0.386 nan 8.180 nan 0.000 0.477 439 E N 3.437 123.871 120.200 0.389 0.000 2.414 439 E HA -0.028 4.322 4.350 -0.000 0.000 0.263 439 E C -1.550 175.234 176.600 0.306 0.000 1.000 439 E CA -1.015 55.574 56.400 0.316 0.000 0.914 439 E CB 0.793 30.712 29.700 0.365 0.000 0.948 439 E HN 0.090 nan 8.360 nan 0.000 0.444 440 P HA -0.266 nan 4.420 nan 0.000 0.216 440 P C 1.208 178.520 177.300 0.021 0.000 1.153 440 P CA 1.688 64.819 63.100 0.052 0.000 0.858 440 P CB 0.092 31.774 31.700 -0.029 0.000 0.789 441 K N -1.493 118.893 120.400 -0.023 0.000 2.209 441 K HA -0.096 4.223 4.320 -0.000 0.000 0.204 441 K C 0.885 177.391 176.600 -0.156 0.000 1.048 441 K CA 1.509 57.709 56.287 -0.145 0.000 0.940 441 K CB -0.769 31.556 32.500 -0.292 0.000 0.729 441 K HN 0.111 nan 8.250 nan 0.000 0.451 442 F N 0.629 120.652 119.950 0.121 0.000 2.639 442 F HA 0.278 4.805 4.527 -0.000 0.000 0.302 442 F C 0.175 175.973 175.800 -0.003 0.000 1.097 442 F CA -1.673 56.354 58.000 0.044 0.000 1.294 442 F CB -0.031 39.042 39.000 0.121 0.000 1.027 442 F HN -0.107 nan 8.300 nan 0.000 0.550 443 F N 1.077 121.003 119.950 -0.039 0.000 2.608 443 F HA 0.365 4.891 4.527 -0.000 0.000 0.380 443 F C 1.374 176.818 175.800 -0.593 0.000 1.083 443 F CA 0.900 58.682 58.000 -0.364 0.000 1.266 443 F CB 0.477 39.166 39.000 -0.518 0.000 1.076 443 F HN 0.292 nan 8.300 nan 0.000 0.574 444 G N 3.436 110.958 108.800 -2.130 0.000 2.189 444 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.267 444 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.267 444 G C 0.562 175.189 174.900 -0.456 0.000 0.975 444 G CA 0.520 44.743 45.100 -1.461 0.000 0.644 444 G HN 0.748 nan 8.290 nan 0.000 0.537 445 V N -0.721 119.064 119.914 -0.215 0.000 2.635 445 V HA 0.383 4.503 4.120 -0.000 0.000 0.233 445 V C 1.062 177.242 176.094 0.144 0.000 1.097 445 V CA 1.911 64.173 62.300 -0.064 0.000 1.134 445 V CB 0.161 31.740 31.823 -0.406 0.000 0.841 445 V HN 0.274 nan 8.190 nan 0.000 0.496 446 K N 0.319 120.833 120.400 0.190 0.000 2.578 446 K HA 0.681 5.001 4.320 -0.000 0.000 0.250 446 K C -0.733 175.892 176.600 0.041 0.000 0.955 446 K CA -0.178 56.151 56.287 0.070 0.000 0.825 446 K CB 2.061 34.458 32.500 -0.172 0.000 1.151 446 K HN 0.381 nan 8.250 nan 0.000 0.432 447 A N 1.832 124.534 122.820 -0.196 0.000 2.462 447 A HA 0.004 4.324 4.320 -0.000 0.000 0.243 447 A C 0.790 178.180 177.584 -0.322 0.000 1.076 447 A CA 0.094 51.751 52.037 -0.634 0.000 0.773 447 A CB 0.255 18.782 19.000 -0.790 0.000 1.010 447 A HN 0.936 nan 8.150 nan 0.000 0.493 448 D N 1.222 121.451 120.400 -0.286 0.000 2.084 448 D HA -0.048 4.592 4.640 -0.000 0.000 0.199 448 D C 0.531 176.735 176.300 -0.160 0.000 0.981 448 D CA 1.455 55.359 54.000 -0.159 0.000 0.841 448 D CB 0.128 40.887 40.800 -0.068 0.000 0.997 448 D HN 0.567 nan 8.370 nan 0.000 0.454 449 R N -0.752 119.640 120.500 -0.181 0.000 2.574 449 R HA 0.543 4.883 4.340 -0.000 0.000 0.288 449 R C -1.487 174.720 176.300 -0.155 0.000 1.004 449 R CA -0.781 55.241 56.100 -0.131 0.000 0.895 449 R CB 2.915 33.160 30.300 -0.091 0.000 1.191 449 R HN -0.101 nan 8.270 nan 0.000 0.444 450 V N 5.326 125.189 119.914 -0.085 0.000 2.328 450 V HA 0.397 4.516 4.120 -0.000 0.000 0.278 450 V C 0.126 176.197 176.094 -0.038 0.000 1.021 450 V CA -0.570 61.687 62.300 -0.072 0.000 0.838 450 V CB 1.224 33.030 31.823 -0.028 0.000 0.999 450 V HN 0.611 nan 8.190 nan 0.000 0.447 451 I N 5.729 126.265 120.570 -0.057 0.000 2.365 451 I HA 0.439 4.609 4.170 -0.000 0.000 0.291 451 I C 0.127 176.196 176.117 -0.079 0.000 1.004 451 I CA -0.372 60.888 61.300 -0.067 0.000 1.311 451 I CB 1.029 38.978 38.000 -0.084 0.000 1.401 451 I HN 0.348 nan 8.210 nan 0.000 0.491 452 K N 4.411 124.759 120.400 -0.087 0.000 2.413 452 K HA 0.341 4.661 4.320 -0.000 0.000 0.257 452 K C 0.332 176.785 176.600 -0.245 0.000 0.946 452 K CA -0.502 55.728 56.287 -0.095 0.000 0.823 452 K CB 1.770 34.282 32.500 0.018 0.000 1.109 452 K HN 0.857 nan 8.250 nan 0.000 0.427 453 G N 1.685 110.062 108.800 -0.703 0.000 2.341 453 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.292 453 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.292 453 G C 0.796 175.396 174.900 -0.500 0.000 1.021 453 G CA 1.275 45.714 45.100 -1.101 0.000 0.905 453 G HN 1.121 nan 8.290 nan 0.000 0.508 454 G N -1.994 106.578 108.800 -0.379 0.000 2.148 454 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.254 454 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.254 454 G C 0.176 175.003 174.900 -0.121 0.000 0.981 454 G CA 0.576 45.554 45.100 -0.204 0.000 0.670 454 G HN 1.250 nan 8.290 nan 0.000 0.528 455 I N 0.623 121.131 120.570 -0.103 0.000 2.582 455 I HA 0.435 4.604 4.170 -0.000 0.000 0.292 455 I C 0.793 176.887 176.117 -0.038 0.000 1.066 455 I CA -1.578 59.692 61.300 -0.051 0.000 1.053 455 I CB 1.725 39.712 38.000 -0.021 0.000 1.241 455 I HN -0.019 nan 8.210 nan 0.000 0.421 456 I N 4.290 124.847 120.570 -0.021 0.000 2.683 456 I HA 0.050 4.220 4.170 -0.000 0.000 0.286 456 I C 1.229 177.352 176.117 0.009 0.000 1.175 456 I CA 0.403 61.695 61.300 -0.015 0.000 1.429 456 I CB 1.020 39.010 38.000 -0.018 0.000 1.371 456 I HN 0.776 nan 8.210 nan 0.000 0.569 457 A N 6.081 128.914 122.820 0.021 0.000 2.055 457 A HA 0.162 4.481 4.320 -0.000 0.000 0.205 457 A C 0.155 177.804 177.584 0.108 0.000 1.235 457 A CA 0.508 52.577 52.037 0.052 0.000 0.822 457 A CB 0.366 19.401 19.000 0.059 0.000 0.903 457 A HN 0.646 nan 8.150 nan 0.000 0.473 458 Y N -1.298 118.961 120.300 -0.069 0.000 2.479 458 Y HA 0.563 5.113 4.550 -0.000 0.000 0.338 458 Y C -0.778 175.062 175.900 -0.099 0.000 1.055 458 Y CA -0.589 57.463 58.100 -0.081 0.000 1.023 458 Y CB 1.691 40.104 38.460 -0.078 0.000 1.287 458 Y HN 0.327 nan 8.280 nan 0.000 0.447 459 A N 4.237 126.786 122.820 -0.452 0.000 2.574 459 A HA 0.526 4.846 4.320 -0.000 0.000 0.297 459 A C -1.800 175.559 177.584 -0.376 0.000 1.062 459 A CA -0.933 50.928 52.037 -0.292 0.000 0.686 459 A CB 1.816 20.703 19.000 -0.188 0.000 1.285 459 A HN 0.553 nan 8.150 nan 0.000 0.403 460 Q N 1.199 120.859 119.800 -0.233 0.000 2.348 460 Q HA 0.435 4.775 4.340 -0.000 0.000 0.251 460 Q C -0.919 174.986 176.000 -0.158 0.000 1.113 460 Q CA 0.584 56.267 55.803 -0.200 0.000 0.902 460 Q CB 0.854 29.473 28.738 -0.198 0.000 1.333 460 Q HN 0.643 nan 8.270 nan 0.000 0.457 461 I N 0.181 120.659 120.570 -0.153 0.000 3.006 461 I HA 0.612 4.782 4.170 -0.000 0.000 0.306 461 I C -0.232 175.831 176.117 -0.089 0.000 1.250 461 I CA -0.744 60.490 61.300 -0.109 0.000 0.996 461 I CB 2.197 40.130 38.000 -0.112 0.000 1.261 461 I HN 0.557 nan 8.210 nan 0.000 0.442 462 G N 1.822 110.586 108.800 -0.060 0.000 2.606 462 G HA2 0.176 4.135 3.960 -0.000 0.000 0.262 462 G HA3 0.176 4.135 3.960 -0.000 0.000 0.262 462 G C -0.890 173.987 174.900 -0.038 0.000 1.394 462 G CA -0.377 44.697 45.100 -0.044 0.000 1.044 462 G HN 0.618 nan 8.290 nan 0.000 0.553 463 D N 0.555 120.939 120.400 -0.026 0.000 2.662 463 D HA 0.006 4.645 4.640 -0.000 0.000 0.237 463 D C -0.811 175.477 176.300 -0.021 0.000 1.154 463 D CA -1.198 52.789 54.000 -0.021 0.000 0.861 463 D CB 1.251 42.044 40.800 -0.013 0.000 1.146 463 D HN -0.010 nan 8.370 nan 0.000 0.518 464 P HA -0.101 nan 4.420 nan 0.000 0.226 464 P C 0.856 178.151 177.300 -0.008 0.000 1.153 464 P CA 0.697 63.785 63.100 -0.019 0.000 0.777 464 P CB 0.092 31.775 31.700 -0.028 0.000 0.794 465 S N -1.878 113.818 115.700 -0.008 0.000 2.556 465 S HA 0.381 4.851 4.470 -0.000 0.000 0.216 465 S C 1.054 175.654 174.600 -0.001 0.000 0.970 465 S CA -0.247 57.951 58.200 -0.003 0.000 0.912 465 S CB -0.525 62.673 63.200 -0.004 0.000 0.790 465 S HN 0.137 nan 8.310 nan 0.000 0.504 466 A N 1.856 124.675 122.820 -0.002 0.000 2.272 466 A HA 0.630 4.950 4.320 -0.000 0.000 0.275 466 A C 1.543 179.128 177.584 0.002 0.000 1.096 466 A CA 0.064 52.101 52.037 -0.001 0.000 0.822 466 A CB 0.288 19.286 19.000 -0.003 0.000 1.088 466 A HN 0.600 nan 8.150 nan 0.000 0.495 467 S N -0.331 115.370 115.700 0.002 0.000 2.428 467 S HA 0.060 4.530 4.470 -0.000 0.000 0.230 467 S C 0.672 175.276 174.600 0.006 0.000 1.014 467 S CA 1.164 59.366 58.200 0.004 0.000 0.957 467 S CB -0.928 62.274 63.200 0.003 0.000 0.784 467 S HN 0.926 nan 8.310 nan 0.000 0.499 468 I N -3.498 117.075 120.570 0.005 0.000 3.174 468 I HA 0.528 4.698 4.170 -0.000 0.000 0.313 468 I C -2.785 173.333 176.117 0.002 0.000 1.155 468 I CA -2.924 58.380 61.300 0.006 0.000 0.977 468 I CB 1.724 39.728 38.000 0.007 0.000 1.248 468 I HN -0.326 nan 8.210 nan 0.000 0.453 469 P HA 0.066 nan 4.420 nan 0.000 0.251 469 P C 1.047 178.339 177.300 -0.013 0.000 1.223 469 P CA 0.642 63.737 63.100 -0.007 0.000 0.796 469 P CB 0.048 31.744 31.700 -0.007 0.000 1.068 470 T N -4.978 109.573 114.554 -0.006 0.000 3.067 470 T HA 0.190 4.540 4.350 -0.000 0.000 0.257 470 T C -1.534 173.163 174.700 -0.004 0.000 1.105 470 T CA -0.394 61.704 62.100 -0.004 0.000 1.104 470 T CB -1.950 66.920 68.868 0.004 0.000 0.925 470 T HN 0.093 nan 8.240 nan 0.000 0.498 471 P HA 0.201 nan 4.420 nan 0.000 0.269 471 P C 0.079 177.374 177.300 -0.008 0.000 1.215 471 P CA -0.191 62.906 63.100 -0.004 0.000 0.780 471 P CB 0.368 32.066 31.700 -0.003 0.000 0.898 472 Q N 2.619 122.416 119.800 -0.005 0.000 2.421 472 Q HA 0.202 4.542 4.340 -0.000 0.000 0.255 472 Q C -1.996 173.999 176.000 -0.008 0.000 1.013 472 Q CA -1.186 54.613 55.803 -0.006 0.000 0.895 472 Q CB -0.521 28.217 28.738 -0.001 0.000 1.271 472 Q HN 0.359 nan 8.270 nan 0.000 0.460 473 P HA 0.209 nan 4.420 nan 0.000 0.297 473 P C -0.757 176.528 177.300 -0.025 0.000 1.319 473 P CA -0.501 62.593 63.100 -0.011 0.000 0.810 473 P CB 0.908 32.605 31.700 -0.005 0.000 0.947 474 V N 5.640 125.537 119.914 -0.028 0.000 2.455 474 V HA 0.354 4.474 4.120 -0.000 0.000 0.273 474 V C 0.735 176.793 176.094 -0.060 0.000 1.045 474 V CA 0.376 62.646 62.300 -0.049 0.000 0.976 474 V CB -0.275 31.520 31.823 -0.047 0.000 0.993 474 V HN 0.655 nan 8.190 nan 0.000 0.475 475 M N 3.653 123.204 119.600 -0.081 0.000 2.644 475 M HA 0.775 5.255 4.480 -0.000 0.000 0.273 475 M C -0.057 176.160 176.300 -0.137 0.000 1.253 475 M CA -0.710 54.545 55.300 -0.075 0.000 0.852 475 M CB 1.983 34.558 32.600 -0.042 0.000 1.708 475 M HN 0.518 nan 8.290 nan 0.000 0.471 476 G N 1.683 110.422 108.800 -0.102 0.000 2.365 476 G HA2 0.574 4.534 3.960 -0.000 0.000 0.249 476 G HA3 0.574 4.534 3.960 -0.000 0.000 0.249 476 G C -0.847 173.781 174.900 -0.454 0.000 1.288 476 G CA -0.514 44.423 45.100 -0.271 0.000 0.887 476 G HN 0.709 nan 8.290 nan 0.000 0.524 477 R N 1.405 121.380 120.500 -0.874 0.000 2.698 477 R HA 0.318 4.658 4.340 -0.000 0.000 0.275 477 R C -0.249 175.664 176.300 -0.644 0.000 1.001 477 R CA -1.006 54.770 56.100 -0.540 0.000 0.896 477 R CB 2.521 32.627 30.300 -0.324 0.000 1.218 477 R HN 0.528 nan 8.270 nan 0.000 0.462 478 R N 1.934 122.289 120.500 -0.242 0.000 2.491 478 R HA 0.217 4.557 4.340 -0.000 0.000 0.283 478 R C 0.223 176.412 176.300 -0.186 0.000 1.072 478 R CA 0.191 56.239 56.100 -0.087 0.000 1.048 478 R CB 0.545 30.844 30.300 -0.002 0.000 0.983 478 R HN 0.245 nan 8.270 nan 0.000 0.450 479 M N 1.348 120.863 119.600 -0.142 0.000 2.823 479 M HA 0.160 4.639 4.480 -0.000 0.000 0.282 479 M C 0.990 177.180 176.300 -0.183 0.000 1.177 479 M CA -0.569 54.617 55.300 -0.190 0.000 0.871 479 M CB 0.048 32.595 32.600 -0.088 0.000 1.595 479 M HN 0.534 nan 8.290 nan 0.000 0.524 480 Y N 0.443 120.720 120.300 -0.040 0.000 2.403 480 Y HA -0.096 4.454 4.550 -0.000 0.000 0.291 480 Y C 2.192 178.072 175.900 -0.033 0.000 1.143 480 Y CA 1.747 59.826 58.100 -0.036 0.000 1.257 480 Y CB -0.971 37.467 38.460 -0.037 0.000 0.984 480 Y HN 0.865 nan 8.280 nan 0.000 0.550 481 G N -0.912 107.943 108.800 0.091 0.000 2.479 481 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 481 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 481 G C 1.682 176.593 174.900 0.018 0.000 1.115 481 G CA 1.566 46.694 45.100 0.046 0.000 0.757 481 G HN 0.472 nan 8.290 nan 0.000 0.560 482 T N -2.086 112.469 114.554 0.002 0.000 3.081 482 T HA 0.342 4.692 4.350 -0.000 0.000 0.250 482 T C 0.614 175.290 174.700 -0.041 0.000 1.100 482 T CA -0.143 61.948 62.100 -0.016 0.000 1.038 482 T CB 0.253 69.117 68.868 -0.007 0.000 0.962 482 T HN -0.071 nan 8.240 nan 0.000 0.516 483 V N 1.639 121.534 119.914 -0.031 0.000 2.539 483 V HA 0.678 4.798 4.120 -0.000 0.000 0.292 483 V C 1.505 177.577 176.094 -0.037 0.000 1.045 483 V CA 0.052 62.334 62.300 -0.030 0.000 0.945 483 V CB 0.389 32.212 31.823 0.000 0.000 0.993 483 V HN 0.790 nan 8.190 nan 0.000 0.464 484 G N 4.140 112.909 108.800 -0.052 0.000 2.566 484 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.280 484 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.280 484 G C 0.380 175.183 174.900 -0.161 0.000 1.225 484 G CA 0.552 45.614 45.100 -0.063 0.000 0.966 484 G HN 0.672 nan 8.290 nan 0.000 0.560 485 D N 0.203 120.525 120.400 -0.130 0.000 2.355 485 D HA 0.110 4.749 4.640 -0.000 0.000 0.218 485 D C 2.375 178.541 176.300 -0.223 0.000 1.004 485 D CA 0.404 54.270 54.000 -0.224 0.000 0.880 485 D CB 0.149 40.959 40.800 0.015 0.000 0.911 485 D HN 0.241 nan 8.370 nan 0.000 0.528 486 L N 0.820 121.969 121.223 -0.124 0.000 2.275 486 L HA 0.033 4.373 4.340 -0.000 0.000 0.215 486 L C 1.827 178.657 176.870 -0.065 0.000 1.119 486 L CA 0.875 55.685 54.840 -0.050 0.000 0.790 486 L CB -0.401 41.657 42.059 -0.001 0.000 0.919 486 L HN 0.001 nan 8.230 nan 0.000 0.443 487 I N -1.127 119.347 120.570 -0.160 0.000 2.454 487 I HA -0.361 3.809 4.170 -0.000 0.000 0.254 487 I C 2.059 178.144 176.117 -0.054 0.000 1.156 487 I CA 1.291 62.518 61.300 -0.122 0.000 1.433 487 I CB -0.087 37.818 38.000 -0.158 0.000 1.082 487 I HN 0.484 nan 8.210 nan 0.000 0.432 488 H N -0.462 118.619 119.070 0.018 0.000 2.395 488 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 488 H C 1.390 176.733 175.328 0.026 0.000 1.070 488 H CA 1.141 57.194 56.048 0.008 0.000 1.356 488 H CB 0.113 29.876 29.762 0.001 0.000 1.401 488 H HN 0.300 nan 8.280 nan 0.000 0.524 489 D N -0.424 120.067 120.400 0.152 0.000 2.305 489 D HA -0.066 4.574 4.640 -0.000 0.000 0.206 489 D C 1.920 178.331 176.300 0.186 0.000 0.974 489 D CA 1.219 55.305 54.000 0.143 0.000 0.871 489 D CB -0.011 40.856 40.800 0.112 0.000 0.947 489 D HN 0.471 nan 8.370 nan 0.000 0.516 490 T N -2.563 112.084 114.554 0.154 0.000 3.086 490 T HA 0.137 4.486 4.350 -0.000 0.000 0.250 490 T C 0.635 175.513 174.700 0.296 0.000 1.074 490 T CA -0.314 61.900 62.100 0.190 0.000 0.988 490 T CB 0.386 69.297 68.868 0.071 0.000 0.988 490 T HN -0.158 nan 8.240 nan 0.000 0.530 491 N N 0.692 119.513 118.700 0.202 0.000 2.262 491 N HA 0.561 5.301 4.740 -0.000 0.000 0.295 491 N C -1.483 173.985 175.510 -0.070 0.000 1.161 491 N CA -0.639 52.481 53.050 0.117 0.000 0.767 491 N CB 2.416 40.950 38.487 0.078 0.000 1.499 491 N HN 0.186 nan 8.380 nan 0.000 0.476 492 I N 0.857 121.298 120.570 -0.215 0.000 2.433 492 I HA 0.224 4.394 4.170 -0.000 0.000 0.292 492 I C 0.009 175.881 176.117 -0.409 0.000 1.001 492 I CA -0.452 60.562 61.300 -0.478 0.000 1.119 492 I CB 1.871 39.312 38.000 -0.932 0.000 1.289 492 I HN 0.211 nan 8.210 nan 0.000 0.438 493 T N 6.344 120.688 114.554 -0.350 0.000 2.727 493 T HA 0.402 4.752 4.350 -0.000 0.000 0.298 493 T C -0.361 174.166 174.700 -0.288 0.000 0.942 493 T CA -0.179 61.775 62.100 -0.243 0.000 0.997 493 T CB -0.116 68.657 68.868 -0.158 0.000 0.917 493 T HN 0.090 nan 8.240 nan 0.000 0.487 494 F N 4.067 124.005 119.950 -0.019 0.000 2.420 494 F HA 0.522 5.049 4.527 -0.000 0.000 0.352 494 F C 0.652 176.475 175.800 0.039 0.000 1.108 494 F CA -0.577 57.464 58.000 0.068 0.000 1.162 494 F CB 0.570 39.731 39.000 0.268 0.000 1.118 494 F HN 0.294 nan 8.300 nan 0.000 0.510 495 M N 1.505 121.236 119.600 0.217 0.000 2.658 495 M HA 0.388 4.868 4.480 -0.000 0.000 0.295 495 M C -0.205 176.181 176.300 0.142 0.000 1.248 495 M CA -1.098 54.278 55.300 0.127 0.000 0.843 495 M CB 2.390 35.016 32.600 0.043 0.000 1.749 495 M HN 0.524 nan 8.290 nan 0.000 0.464 496 S N 0.107 115.866 115.700 0.097 0.000 2.579 496 S HA 0.185 4.655 4.470 -0.000 0.000 0.275 496 S C 0.600 175.237 174.600 0.062 0.000 1.345 496 S CA -0.368 57.880 58.200 0.081 0.000 1.031 496 S CB 0.849 64.080 63.200 0.052 0.000 0.892 496 S HN 0.759 nan 8.310 nan 0.000 0.529 497 K N 1.142 121.574 120.400 0.053 0.000 2.103 497 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 497 K C 2.589 179.202 176.600 0.021 0.000 1.048 497 K CA 1.665 57.972 56.287 0.035 0.000 0.930 497 K CB -0.446 32.068 32.500 0.024 0.000 0.716 497 K HN 0.855 nan 8.250 nan 0.000 0.444 498 S N 0.677 116.388 115.700 0.017 0.000 2.383 498 S HA -0.144 4.326 4.470 -0.000 0.000 0.227 498 S C 2.139 176.742 174.600 0.006 0.000 1.026 498 S CA 1.459 59.665 58.200 0.009 0.000 0.981 498 S CB -0.346 62.858 63.200 0.006 0.000 0.818 498 S HN 0.332 nan 8.310 nan 0.000 0.472 499 S N 2.082 117.787 115.700 0.009 0.000 2.383 499 S HA 0.063 4.533 4.470 -0.000 0.000 0.227 499 S C 1.860 176.459 174.600 -0.002 0.000 1.026 499 S CA 0.850 59.050 58.200 0.001 0.000 0.981 499 S CB -0.863 62.337 63.200 -0.000 0.000 0.818 499 S HN 0.561 nan 8.310 nan 0.000 0.472 500 I N 1.560 122.134 120.570 0.006 0.000 2.252 500 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 500 I C 3.062 179.179 176.117 -0.000 0.000 1.102 500 I CA 1.559 62.860 61.300 0.003 0.000 1.385 500 I CB -0.413 37.596 38.000 0.014 0.000 1.064 500 I HN 0.401 nan 8.210 nan 0.000 0.414 501 Q N 0.806 120.608 119.800 0.002 0.000 2.124 501 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 501 Q C 1.992 177.990 176.000 -0.004 0.000 0.977 501 Q CA 1.503 57.306 55.803 -0.000 0.000 0.850 501 Q CB 0.055 28.793 28.738 0.001 0.000 0.901 501 Q HN 0.530 nan 8.270 nan 0.000 0.429 502 Q N -1.048 118.749 119.800 -0.004 0.000 2.482 502 Q HA 0.071 4.410 4.340 -0.000 0.000 0.209 502 Q C 0.478 176.472 176.000 -0.010 0.000 0.961 502 Q CA 0.401 56.200 55.803 -0.006 0.000 0.945 502 Q CB 0.420 29.154 28.738 -0.006 0.000 1.012 502 Q HN 0.590 nan 8.270 nan 0.000 0.515 503 G N 0.396 109.189 108.800 -0.012 0.000 2.225 503 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.264 503 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.264 503 G C 0.638 175.525 174.900 -0.023 0.000 1.060 503 G CA 0.225 45.315 45.100 -0.017 0.000 0.833 503 G HN 0.272 nan 8.290 nan 0.000 0.498 504 V N 0.316 120.216 119.914 -0.024 0.000 2.343 504 V HA -0.148 3.971 4.120 -0.000 0.000 0.247 504 V C 0.961 177.028 176.094 -0.045 0.000 1.051 504 V CA 2.600 64.880 62.300 -0.033 0.000 1.036 504 V CB -0.937 30.866 31.823 -0.033 0.000 0.654 504 V HN 0.437 nan 8.190 nan 0.000 0.451 505 P HA -0.189 nan 4.420 nan 0.000 0.215 505 P C 1.702 178.966 177.300 -0.059 0.000 1.157 505 P CA 2.243 65.307 63.100 -0.060 0.000 0.874 505 P CB -0.152 31.514 31.700 -0.057 0.000 0.790 506 A N -0.183 122.610 122.820 -0.046 0.000 1.929 506 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 506 A C 2.280 179.840 177.584 -0.040 0.000 1.176 506 A CA 1.618 53.629 52.037 -0.042 0.000 0.628 506 A CB -1.167 17.814 19.000 -0.031 0.000 0.816 506 A HN 0.118 nan 8.150 nan 0.000 0.444 507 K N -0.038 120.340 120.400 -0.037 0.000 2.063 507 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 507 K C 1.444 178.019 176.600 -0.043 0.000 1.048 507 K CA 1.589 57.856 56.287 -0.034 0.000 0.928 507 K CB -0.274 32.209 32.500 -0.028 0.000 0.713 507 K HN 0.495 nan 8.250 nan 0.000 0.442 508 L N -0.276 120.913 121.223 -0.057 0.000 2.567 508 L HA 0.174 4.513 4.340 -0.000 0.000 0.225 508 L C 0.992 177.816 176.870 -0.077 0.000 1.119 508 L CA 0.373 55.171 54.840 -0.072 0.000 0.871 508 L CB 0.153 42.159 42.059 -0.089 0.000 1.036 508 L HN 0.531 nan 8.230 nan 0.000 0.459 509 G N 1.229 109.985 108.800 -0.073 0.000 2.198 509 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.257 509 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.257 509 G C 0.125 174.954 174.900 -0.118 0.000 1.042 509 G CA -0.256 44.794 45.100 -0.084 0.000 0.791 509 G HN 0.235 nan 8.290 nan 0.000 0.502 510 L N -0.315 120.837 121.223 -0.119 0.000 2.410 510 L HA 0.297 4.637 4.340 -0.000 0.000 0.273 510 L C 1.435 178.194 176.870 -0.186 0.000 1.144 510 L CA -0.320 54.430 54.840 -0.150 0.000 0.863 510 L CB 0.687 42.671 42.059 -0.124 0.000 1.140 510 L HN -0.016 nan 8.230 nan 0.000 0.463 511 K N 2.730 122.946 120.400 -0.306 0.000 2.360 511 K HA 0.193 4.513 4.320 -0.000 0.000 0.196 511 K C 0.611 177.083 176.600 -0.215 0.000 1.049 511 K CA 0.025 56.105 56.287 -0.345 0.000 1.049 511 K CB 0.338 32.440 32.500 -0.663 0.000 0.881 511 K HN 0.516 nan 8.250 nan 0.000 0.542 512 R N 1.623 122.026 120.500 -0.162 0.000 2.734 512 R HA 0.095 4.434 4.340 -0.000 0.000 0.266 512 R C 0.185 176.439 176.300 -0.077 0.000 1.044 512 R CA 0.006 56.078 56.100 -0.048 0.000 1.128 512 R CB 0.436 30.705 30.300 -0.052 0.000 1.010 512 R HN 0.025 nan 8.270 nan 0.000 0.461 513 R N 1.835 122.290 120.500 -0.074 0.000 2.585 513 R HA 0.006 4.346 4.340 -0.000 0.000 0.275 513 R C -0.073 176.110 176.300 -0.196 0.000 1.018 513 R CA 0.204 56.230 56.100 -0.124 0.000 1.072 513 R CB 0.210 30.404 30.300 -0.178 0.000 0.953 513 R HN 0.318 nan 8.270 nan 0.000 0.419 514 I N 2.320 122.797 120.570 -0.155 0.000 2.321 514 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 514 I C 0.892 176.909 176.117 -0.165 0.000 0.998 514 I CA -0.201 61.005 61.300 -0.157 0.000 1.227 514 I CB 1.094 39.043 38.000 -0.084 0.000 1.368 514 I HN 0.666 nan 8.210 nan 0.000 0.466 515 G N 4.380 113.022 108.800 -0.265 0.000 2.388 515 G HA2 0.520 4.480 3.960 -0.000 0.000 0.330 515 G HA3 0.520 4.480 3.960 -0.000 0.000 0.330 515 G C -0.457 174.548 174.900 0.175 0.000 1.142 515 G CA -0.241 44.766 45.100 -0.154 0.000 0.908 515 G HN 0.493 nan 8.290 nan 0.000 0.473 516 T N 1.549 116.289 114.554 0.310 0.000 2.771 516 T HA 0.308 4.657 4.350 -0.000 0.000 0.291 516 T C 0.419 175.360 174.700 0.401 0.000 0.954 516 T CA -0.194 62.082 62.100 0.294 0.000 1.045 516 T CB 1.442 70.423 68.868 0.189 0.000 0.917 516 T HN 0.260 nan 8.240 nan 0.000 0.484 517 V N 6.117 126.212 119.914 0.300 0.000 2.488 517 V HA 0.437 4.557 4.120 -0.000 0.000 0.277 517 V C 0.340 176.508 176.094 0.125 0.000 1.046 517 V CA 0.018 62.461 62.300 0.238 0.000 0.986 517 V CB 0.179 32.129 31.823 0.212 0.000 0.989 517 V HN 0.912 nan 8.190 nan 0.000 0.475 518 K N 3.189 123.637 120.400 0.080 0.000 2.578 518 K HA 0.471 4.790 4.320 -0.000 0.000 0.287 518 K C -0.551 176.034 176.600 -0.026 0.000 1.010 518 K CA -1.041 55.240 56.287 -0.010 0.000 0.889 518 K CB 1.173 33.617 32.500 -0.093 0.000 1.514 518 K HN 0.275 nan 8.250 nan 0.000 0.424 519 N N -0.011 118.666 118.700 -0.038 0.000 2.727 519 N HA -0.152 4.587 4.740 -0.000 0.000 0.251 519 N C 0.114 175.605 175.510 -0.031 0.000 1.040 519 N CA 1.152 54.180 53.050 -0.037 0.000 0.712 519 N CB -2.029 36.429 38.487 -0.048 0.000 0.912 519 N HN 0.820 nan 8.380 nan 0.000 0.545 520 C N -2.886 116.397 119.300 -0.028 0.000 3.525 520 C HA 0.402 4.861 4.460 -0.000 0.000 0.289 520 C C 1.493 176.464 174.990 -0.033 0.000 1.496 520 C CA -0.757 58.239 59.018 -0.036 0.000 1.804 520 C CB 0.367 28.082 27.740 -0.042 0.000 2.708 520 C HN 0.222 nan 8.230 nan 0.000 0.642 521 R N 1.766 122.249 120.500 -0.027 0.000 2.308 521 R HA 0.160 4.500 4.340 -0.000 0.000 0.202 521 R C 0.042 176.327 176.300 -0.025 0.000 0.898 521 R CA 0.391 56.476 56.100 -0.025 0.000 1.046 521 R CB -0.602 29.686 30.300 -0.020 0.000 1.026 521 R HN 0.669 nan 8.270 nan 0.000 0.512 522 N N 0.763 119.447 118.700 -0.027 0.000 2.338 522 N HA 0.207 4.947 4.740 -0.000 0.000 0.251 522 N C 0.038 175.530 175.510 -0.030 0.000 1.199 522 N CA -0.175 52.860 53.050 -0.025 0.000 0.879 522 N CB 0.752 39.225 38.487 -0.023 0.000 1.159 522 N HN 0.179 nan 8.380 nan 0.000 0.514 523 I N -3.439 117.110 120.570 -0.035 0.000 2.982 523 I HA 0.941 5.111 4.170 -0.000 0.000 0.312 523 I C 0.429 176.521 176.117 -0.041 0.000 1.041 523 I CA -1.114 60.160 61.300 -0.043 0.000 1.053 523 I CB 1.728 39.695 38.000 -0.055 0.000 1.248 523 I HN -0.053 nan 8.210 nan 0.000 0.471 524 G N 1.416 110.188 108.800 -0.045 0.000 2.706 524 G HA2 0.272 4.232 3.960 -0.000 0.000 0.307 524 G HA3 0.272 4.232 3.960 -0.000 0.000 0.307 524 G C -0.297 174.574 174.900 -0.049 0.000 1.307 524 G CA -0.518 44.558 45.100 -0.039 0.000 0.790 524 G HN 0.654 nan 8.290 nan 0.000 0.503 525 K N 0.481 120.858 120.400 -0.038 0.000 2.152 525 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 525 K C 2.335 178.905 176.600 -0.050 0.000 1.048 525 K CA 2.293 58.554 56.287 -0.043 0.000 0.933 525 K CB -0.170 32.315 32.500 -0.025 0.000 0.721 525 K HN 0.521 nan 8.250 nan 0.000 0.447 526 K N -0.524 119.848 120.400 -0.046 0.000 2.280 526 K HA -0.116 4.204 4.320 -0.000 0.000 0.202 526 K C 0.535 177.093 176.600 -0.071 0.000 1.047 526 K CA 1.606 57.861 56.287 -0.052 0.000 0.942 526 K CB 0.007 32.481 32.500 -0.043 0.000 0.739 526 K HN 0.099 nan 8.250 nan 0.000 0.457 527 D N 0.650 121.005 120.400 -0.076 0.000 2.340 527 D HA 0.031 4.671 4.640 -0.000 0.000 0.220 527 D C 0.191 176.418 176.300 -0.122 0.000 1.039 527 D CA 0.376 54.320 54.000 -0.094 0.000 0.866 527 D CB 0.203 40.953 40.800 -0.083 0.000 0.913 527 D HN 0.222 nan 8.370 nan 0.000 0.523 528 M N 2.034 121.567 119.600 -0.112 0.000 2.193 528 M HA 0.072 4.552 4.480 -0.000 0.000 0.342 528 M C 0.247 176.472 176.300 -0.125 0.000 1.413 528 M CA -0.059 55.169 55.300 -0.119 0.000 1.191 528 M CB 0.462 33.007 32.600 -0.092 0.000 1.633 528 M HN -0.363 nan 8.290 nan 0.000 0.458 529 K N 3.029 123.323 120.400 -0.177 0.000 2.472 529 K HA -0.113 4.207 4.320 -0.000 0.000 0.280 529 K C 0.161 176.762 176.600 0.001 0.000 1.028 529 K CA 0.320 56.482 56.287 -0.208 0.000 1.045 529 K CB 0.014 32.328 32.500 -0.310 0.000 0.902 529 K HN 0.787 nan 8.250 nan 0.000 0.478 530 W N 0.549 121.815 121.300 -0.057 0.000 2.902 530 W HA -0.276 4.384 4.660 -0.000 0.000 0.278 530 W C 0.118 176.585 176.519 -0.086 0.000 1.066 530 W CA 0.415 57.714 57.345 -0.078 0.000 0.570 530 W CB -1.604 27.762 29.460 -0.156 0.000 2.092 530 W HN 0.622 nan 8.180 nan 0.000 1.423 531 N N 0.561 119.309 118.700 0.079 0.000 2.673 531 N HA 0.045 4.785 4.740 -0.000 0.000 0.265 531 N C -0.086 175.417 175.510 -0.012 0.000 1.709 531 N CA 0.507 53.571 53.050 0.022 0.000 0.792 531 N CB 0.438 38.916 38.487 -0.015 0.000 1.286 531 N HN 0.262 nan 8.380 nan 0.000 0.506 532 D N -1.040 119.360 120.400 -0.001 0.000 2.535 532 D HA 0.052 4.691 4.640 -0.000 0.000 0.229 532 D C 0.181 176.473 176.300 -0.013 0.000 1.238 532 D CA -0.103 53.883 54.000 -0.024 0.000 0.824 532 D CB 0.194 40.968 40.800 -0.043 0.000 1.045 532 D HN -0.136 nan 8.370 nan 0.000 0.500 533 V N 1.829 121.742 119.914 -0.001 0.000 2.488 533 V HA 0.371 4.491 4.120 -0.000 0.000 0.277 533 V C 0.778 176.862 176.094 -0.017 0.000 1.046 533 V CA -0.082 62.218 62.300 -0.001 0.000 0.986 533 V CB 0.881 32.713 31.823 0.015 0.000 0.989 533 V HN 0.419 nan 8.190 nan 0.000 0.475 534 T N 1.278 115.817 114.554 -0.024 0.000 2.823 534 T HA 0.751 5.101 4.350 -0.000 0.000 0.279 534 T C -0.351 174.318 174.700 -0.051 0.000 0.998 534 T CA -0.574 61.501 62.100 -0.042 0.000 0.994 534 T CB 1.898 70.737 68.868 -0.048 0.000 0.960 534 T HN 0.740 nan 8.240 nan 0.000 0.448 535 T N 0.415 114.927 114.554 -0.071 0.000 2.718 535 T HA 0.295 4.645 4.350 -0.000 0.000 0.306 535 T C -2.003 172.639 174.700 -0.097 0.000 1.485 535 T CA -0.677 61.382 62.100 -0.067 0.000 0.997 535 T CB 1.845 70.689 68.868 -0.039 0.000 1.504 535 T HN 0.732 nan 8.240 nan 0.000 0.497 536 D N 2.410 122.764 120.400 -0.077 0.000 2.380 536 D HA 0.363 5.003 4.640 -0.000 0.000 0.230 536 D C -0.279 175.994 176.300 -0.046 0.000 1.154 536 D CA -0.047 53.906 54.000 -0.078 0.000 0.859 536 D CB 0.398 41.162 40.800 -0.060 0.000 1.045 536 D HN 0.380 nan 8.370 nan 0.000 0.495 537 I N 2.616 123.163 120.570 -0.039 0.000 2.325 537 I HA 0.126 4.295 4.170 -0.000 0.000 0.291 537 I C 0.258 176.370 176.117 -0.009 0.000 1.019 537 I CA -0.509 60.780 61.300 -0.017 0.000 1.302 537 I CB 1.268 39.263 38.000 -0.008 0.000 1.401 537 I HN 0.206 nan 8.210 nan 0.000 0.485 538 D N 7.309 127.703 120.400 -0.010 0.000 2.256 538 D HA 0.518 5.158 4.640 -0.000 0.000 0.240 538 D C -0.809 175.489 176.300 -0.003 0.000 1.062 538 D CA -0.324 53.672 54.000 -0.007 0.000 0.832 538 D CB 1.111 41.906 40.800 -0.008 0.000 1.135 538 D HN 0.321 nan 8.370 nan 0.000 0.484 539 I N 3.745 124.314 120.570 -0.002 0.000 2.354 539 I HA 0.204 4.374 4.170 -0.000 0.000 0.286 539 I C 0.152 176.282 176.117 0.023 0.000 1.007 539 I CA -0.907 60.398 61.300 0.008 0.000 1.167 539 I CB 1.188 39.183 38.000 -0.008 0.000 1.320 539 I HN 0.402 nan 8.210 nan 0.000 0.458 540 N N 9.258 127.983 118.700 0.041 0.000 2.452 540 N HA 0.073 4.812 4.740 -0.000 0.000 0.266 540 N C -1.477 174.088 175.510 0.092 0.000 1.209 540 N CA -1.276 51.797 53.050 0.038 0.000 0.929 540 N CB 1.378 39.877 38.487 0.020 0.000 1.063 540 N HN 0.333 nan 8.380 nan 0.000 0.472 541 P HA -0.102 nan 4.420 nan 0.000 0.220 541 P C 0.440 177.791 177.300 0.085 0.000 1.148 541 P CA 1.336 64.486 63.100 0.083 0.000 0.803 541 P CB 0.569 32.262 31.700 -0.013 0.000 0.782 542 E N -0.538 119.654 120.200 -0.013 0.000 2.075 542 E HA -0.040 4.309 4.350 -0.000 0.000 0.190 542 E C 1.904 178.335 176.600 -0.282 0.000 0.969 542 E CA 1.660 57.993 56.400 -0.111 0.000 0.815 542 E CB -0.109 29.542 29.700 -0.082 0.000 0.776 542 E HN 0.324 nan 8.360 nan 0.000 0.457 543 T N -2.821 111.615 114.554 -0.197 0.000 3.022 543 T HA -0.015 4.335 4.350 -0.000 0.000 0.250 543 T C 0.071 174.656 174.700 -0.193 0.000 1.060 543 T CA -0.185 61.770 62.100 -0.242 0.000 1.013 543 T CB 0.099 68.906 68.868 -0.101 0.000 0.982 543 T HN 0.140 nan 8.240 nan 0.000 0.508 544 Y N 0.863 121.140 120.300 -0.038 0.000 4.668 544 Y HA -0.174 4.375 4.550 -0.000 0.000 0.234 544 Y C 0.120 175.992 175.900 -0.047 0.000 1.056 544 Y CA -0.464 57.608 58.100 -0.047 0.000 2.025 544 Y CB -3.045 35.382 38.460 -0.056 0.000 1.613 544 Y HN 0.525 nan 8.280 nan 0.000 0.653 545 E N 0.056 120.305 120.200 0.082 0.000 2.373 545 E HA 0.425 4.774 4.350 -0.000 0.000 0.267 545 E C -0.025 176.593 176.600 0.029 0.000 1.032 545 E CA -0.288 56.135 56.400 0.038 0.000 0.889 545 E CB 1.280 30.988 29.700 0.014 0.000 0.984 545 E HN 0.047 nan 8.360 nan 0.000 0.425 546 V N 3.461 123.383 119.914 0.012 0.000 2.398 546 V HA 0.292 4.412 4.120 -0.000 0.000 0.286 546 V C -0.111 175.984 176.094 0.001 0.000 1.026 546 V CA -0.587 61.714 62.300 0.001 0.000 0.868 546 V CB 1.272 33.088 31.823 -0.012 0.000 0.982 546 V HN 0.572 nan 8.190 nan 0.000 0.443 547 K N 3.194 123.594 120.400 -0.001 0.000 2.371 547 K HA 0.834 5.154 4.320 -0.000 0.000 0.251 547 K C -1.620 174.977 176.600 -0.005 0.000 0.934 547 K CA -0.691 55.595 56.287 -0.001 0.000 0.798 547 K CB 2.665 35.164 32.500 -0.002 0.000 1.204 547 K HN 0.423 nan 8.250 nan 0.000 0.427 548 V N 2.951 122.863 119.914 -0.003 0.000 2.569 548 V HA 0.135 4.255 4.120 -0.000 0.000 0.301 548 V C -0.945 175.147 176.094 -0.003 0.000 1.044 548 V CA -0.739 61.557 62.300 -0.006 0.000 0.874 548 V CB 1.653 33.474 31.823 -0.004 0.000 1.002 548 V HN 0.900 nan 8.190 nan 0.000 0.424 549 D N 4.173 124.568 120.400 -0.007 0.000 2.699 549 D HA -0.179 4.461 4.640 -0.000 0.000 0.239 549 D C 1.360 177.659 176.300 -0.002 0.000 1.136 549 D CA 1.868 55.865 54.000 -0.005 0.000 0.668 549 D CB -1.051 39.748 40.800 -0.001 0.000 1.060 549 D HN 1.483 nan 8.370 nan 0.000 0.429 550 G N -0.418 108.380 108.800 -0.004 0.000 2.196 550 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.268 550 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.268 550 G C 0.127 175.027 174.900 0.001 0.000 0.975 550 G CA 0.874 45.972 45.100 -0.002 0.000 0.648 550 G HN 0.529 nan 8.290 nan 0.000 0.538 551 E N -0.526 119.676 120.200 0.003 0.000 2.183 551 E HA 0.517 4.867 4.350 -0.000 0.000 0.271 551 E C 0.076 176.681 176.600 0.008 0.000 0.919 551 E CA -0.980 55.425 56.400 0.007 0.000 0.781 551 E CB 2.409 32.116 29.700 0.011 0.000 1.140 551 E HN 0.059 nan 8.360 nan 0.000 0.402 552 V N 4.165 124.085 119.914 0.010 0.000 2.521 552 V HA 0.031 4.151 4.120 -0.000 0.000 0.286 552 V C 0.155 176.258 176.094 0.016 0.000 1.034 552 V CA 0.035 62.342 62.300 0.011 0.000 1.045 552 V CB 0.209 32.039 31.823 0.012 0.000 0.974 552 V HN 0.510 nan 8.190 nan 0.000 0.480 553 L N 5.495 126.726 121.223 0.013 0.000 2.270 553 L HA 0.455 4.795 4.340 -0.000 0.000 0.286 553 L C 0.212 177.095 176.870 0.021 0.000 1.059 553 L CA 0.285 55.136 54.840 0.019 0.000 0.839 553 L CB 1.010 43.076 42.059 0.012 0.000 1.221 553 L HN 0.731 nan 8.230 nan 0.000 0.431 554 T N 2.651 117.227 114.554 0.036 0.000 2.909 554 T HA 0.708 5.057 4.350 -0.000 0.000 0.299 554 T C -0.729 174.017 174.700 0.077 0.000 1.073 554 T CA -0.450 61.680 62.100 0.050 0.000 0.999 554 T CB 1.349 70.246 68.868 0.048 0.000 1.098 554 T HN 0.775 nan 8.240 nan 0.000 0.477 555 C N 2.561 121.932 119.300 0.119 0.000 3.288 555 C HA 0.845 5.305 4.460 -0.000 0.000 0.318 555 C C -0.615 174.504 174.990 0.214 0.000 1.356 555 C CA -1.012 58.091 59.018 0.142 0.000 1.359 555 C CB 1.314 29.139 27.740 0.142 0.000 1.688 555 C HN 0.791 nan 8.230 nan 0.000 0.467 556 E N 2.067 122.350 120.200 0.138 0.000 2.349 556 E HA 0.535 4.885 4.350 -0.000 0.000 0.262 556 E C -2.400 174.161 176.600 -0.065 0.000 1.088 556 E CA -1.587 54.856 56.400 0.072 0.000 0.899 556 E CB 0.855 30.559 29.700 0.007 0.000 1.044 556 E HN 0.621 nan 8.360 nan 0.000 0.420 557 P HA 0.091 nan 4.420 nan 0.000 0.278 557 P C -0.318 176.771 177.300 -0.352 0.000 1.238 557 P CA -0.384 62.217 63.100 -0.832 0.000 0.794 557 P CB 0.860 31.748 31.700 -1.354 0.000 0.955 558 V N 0.031 119.798 119.914 -0.247 0.000 2.713 558 V HA 0.420 4.540 4.120 -0.000 0.000 0.307 558 V C 1.204 177.234 176.094 -0.108 0.000 1.052 558 V CA -0.565 61.661 62.300 -0.124 0.000 0.967 558 V CB 1.603 33.391 31.823 -0.058 0.000 1.019 558 V HN 0.378 nan 8.190 nan 0.000 0.459 559 K N 0.620 120.978 120.400 -0.068 0.000 2.243 559 K HA 0.224 4.544 4.320 -0.000 0.000 0.201 559 K C 0.584 177.169 176.600 -0.024 0.000 1.051 559 K CA 0.804 57.062 56.287 -0.048 0.000 0.970 559 K CB 0.379 32.858 32.500 -0.035 0.000 0.755 559 K HN 0.864 nan 8.250 nan 0.000 0.465 560 E N 0.516 120.707 120.200 -0.015 0.000 2.317 560 E HA 0.412 4.762 4.350 -0.000 0.000 0.270 560 E C -1.502 175.107 176.600 0.015 0.000 0.885 560 E CA -0.520 55.883 56.400 0.005 0.000 0.760 560 E CB 1.511 31.216 29.700 0.008 0.000 1.227 560 E HN -0.062 nan 8.360 nan 0.000 0.434 561 L N 3.643 124.886 121.223 0.034 0.000 2.354 561 L HA 0.584 4.924 4.340 -0.000 0.000 0.264 561 L C -2.143 174.772 176.870 0.074 0.000 1.008 561 L CA -2.019 52.849 54.840 0.048 0.000 0.819 561 L CB 2.010 44.101 42.059 0.053 0.000 1.339 561 L HN 0.528 nan 8.230 nan 0.000 0.420 562 P HA 0.212 nan 4.420 nan 0.000 0.275 562 P C -0.168 177.227 177.300 0.158 0.000 1.266 562 P CA -0.377 62.788 63.100 0.109 0.000 0.793 562 P CB 0.593 32.335 31.700 0.071 0.000 1.074 563 M N -2.504 117.236 119.600 0.233 0.000 2.302 563 M HA -0.247 4.232 4.480 -0.000 0.000 0.200 563 M C 0.275 176.793 176.300 0.363 0.000 0.366 563 M CA 0.941 56.344 55.300 0.172 0.000 0.440 563 M CB -2.166 30.447 32.600 0.023 0.000 1.475 563 M HN 0.603 nan 8.290 nan 0.000 0.905 564 A N -0.469 122.628 122.820 0.461 0.000 2.364 564 A HA 0.319 4.638 4.320 -0.000 0.000 0.193 564 A C 0.936 178.793 177.584 0.455 0.000 1.530 564 A CA 0.130 52.437 52.037 0.450 0.000 1.613 564 A CB 0.133 19.269 19.000 0.227 0.000 1.767 564 A HN 0.442 nan 8.150 nan 0.000 0.657 565 Q N -0.127 119.819 119.800 0.244 0.000 2.437 565 Q HA -0.021 4.318 4.340 -0.000 0.000 0.210 565 Q C 1.886 177.920 176.000 0.056 0.000 0.972 565 Q CA 0.861 56.758 55.803 0.157 0.000 0.903 565 Q CB 0.001 28.788 28.738 0.083 0.000 0.967 565 Q HN 0.515 nan 8.270 nan 0.000 0.486 566 R N -0.558 119.927 120.500 -0.025 0.000 2.148 566 R HA -0.111 4.229 4.340 -0.000 0.000 0.223 566 R C 0.947 176.996 176.300 -0.419 0.000 1.088 566 R CA 1.109 57.038 56.100 -0.286 0.000 0.985 566 R CB 0.255 30.244 30.300 -0.518 0.000 0.880 566 R HN 0.285 nan 8.270 nan 0.000 0.451 567 Y N -1.869 118.383 120.300 -0.080 0.000 2.464 567 Y HA 0.175 4.725 4.550 -0.000 0.000 0.288 567 Y C 0.229 175.946 175.900 -0.305 0.000 1.133 567 Y CA -0.093 57.860 58.100 -0.245 0.000 1.223 567 Y CB 0.270 38.417 38.460 -0.521 0.000 1.187 567 Y HN -0.180 nan 8.280 nan 0.000 0.539 568 F N 0.095 120.161 119.950 0.194 0.000 2.394 568 F HA 0.237 4.764 4.527 -0.000 0.000 0.340 568 F C 0.867 176.678 175.800 0.017 0.000 1.105 568 F CA -0.730 57.345 58.000 0.125 0.000 1.124 568 F CB 1.202 40.281 39.000 0.131 0.000 1.145 568 F HN -0.163 nan 8.300 nan 0.000 0.505 569 L N 2.207 123.528 121.223 0.163 0.000 2.240 569 L HA 0.195 4.535 4.340 -0.000 0.000 0.211 569 L C -0.469 176.121 176.870 -0.466 0.000 1.106 569 L CA 1.592 56.340 54.840 -0.153 0.000 0.793 569 L CB -0.375 41.604 42.059 -0.133 0.000 0.927 569 L HN 0.420 nan 8.230 nan 0.000 0.446 570 F N 0.000 120.045 119.950 0.158 0.000 2.286 570 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 570 F CA 0.000 58.056 58.000 0.093 0.000 1.383 570 F CB 0.000 39.035 39.000 0.058 0.000 1.145 570 F HN 0.000 nan 8.300 nan 0.000 0.574