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 1ubp_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 0.030 0.000 1.302 2 K N 3.940 124.350 120.400 0.016 0.000 2.318 2 K HA 0.801 5.121 4.320 -0.000 0.000 0.249 2 K C -1.155 175.458 176.600 0.022 0.000 0.942 2 K CA -0.798 55.492 56.287 0.005 0.000 0.808 2 K CB 2.808 35.301 32.500 -0.012 0.000 1.189 2 K HN 0.567 nan 8.250 nan 0.000 0.428 3 I N 2.347 122.934 120.570 0.030 0.000 2.404 3 I HA 0.170 4.340 4.170 -0.000 0.000 0.293 3 I C 0.094 176.238 176.117 0.044 0.000 0.992 3 I CA -1.141 60.202 61.300 0.071 0.000 1.149 3 I CB 1.453 39.560 38.000 0.179 0.000 1.315 3 I HN 0.660 nan 8.210 nan 0.000 0.446 4 N N 6.080 124.806 118.700 0.044 0.000 2.444 4 N HA 0.139 4.879 4.740 -0.000 0.000 0.255 4 N C 0.566 176.109 175.510 0.055 0.000 1.255 4 N CA -0.066 52.999 53.050 0.026 0.000 0.933 4 N CB 0.881 39.378 38.487 0.017 0.000 1.143 4 N HN 0.510 nan 8.380 nan 0.000 0.453 5 R N -0.080 120.436 120.500 0.027 0.000 2.120 5 R HA -0.161 4.178 4.340 -0.000 0.000 0.234 5 R C 1.587 177.947 176.300 0.101 0.000 1.123 5 R CA 1.292 57.422 56.100 0.051 0.000 0.975 5 R CB -0.221 30.080 30.300 0.001 0.000 0.866 5 R HN 0.677 nan 8.270 nan 0.000 0.446 6 Q N 1.256 121.095 119.800 0.065 0.000 2.046 6 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 6 Q C 1.869 177.905 176.000 0.060 0.000 0.975 6 Q CA 1.755 57.592 55.803 0.057 0.000 0.836 6 Q CB 0.044 28.801 28.738 0.031 0.000 0.896 6 Q HN 0.327 nan 8.270 nan 0.000 0.428 7 Q N -1.488 118.347 119.800 0.058 0.000 2.119 7 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 7 Q C 1.751 177.776 176.000 0.042 0.000 0.972 7 Q CA 1.423 57.245 55.803 0.031 0.000 0.847 7 Q CB -0.280 28.475 28.738 0.029 0.000 0.903 7 Q HN 0.478 nan 8.270 nan 0.000 0.433 8 Y N 0.883 121.202 120.300 0.031 0.000 2.097 8 Y HA -0.287 4.262 4.550 -0.000 0.000 0.282 8 Y C 2.230 178.194 175.900 0.107 0.000 1.152 8 Y CA 1.632 59.804 58.100 0.120 0.000 1.136 8 Y CB -0.360 38.157 38.460 0.094 0.000 0.975 8 Y HN 0.100 nan 8.280 nan 0.000 0.498 9 A N -0.017 122.960 122.820 0.261 0.000 1.930 9 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 9 A C 2.026 179.622 177.584 0.019 0.000 1.175 9 A CA 1.769 53.911 52.037 0.175 0.000 0.627 9 A CB -0.694 18.406 19.000 0.166 0.000 0.815 9 A HN 0.641 nan 8.150 nan 0.000 0.443 10 E N -0.188 119.996 120.200 -0.026 0.000 2.110 10 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 10 E C 2.215 178.705 176.600 -0.183 0.000 0.988 10 E CA 1.457 57.811 56.400 -0.077 0.000 0.804 10 E CB -0.091 29.573 29.700 -0.062 0.000 0.745 10 E HN 0.587 nan 8.360 nan 0.000 0.458 11 S N -0.483 114.998 115.700 -0.364 0.000 2.388 11 S HA -0.031 4.439 4.470 -0.000 0.000 0.223 11 S C 0.930 175.074 174.600 -0.759 0.000 1.034 11 S CA 0.759 58.549 58.200 -0.683 0.000 0.963 11 S CB 0.082 62.574 63.200 -1.180 0.000 0.827 11 S HN 0.292 nan 8.310 nan 0.000 0.481 12 Y N 0.734 120.881 120.300 -0.255 0.000 2.527 12 Y HA 0.468 5.018 4.550 -0.000 0.000 0.247 12 Y C 1.141 177.009 175.900 -0.053 0.000 1.138 12 Y CA -0.214 57.756 58.100 -0.216 0.000 1.228 12 Y CB 0.145 38.313 38.460 -0.487 0.000 1.252 12 Y HN 0.281 nan 8.280 nan 0.000 0.531 13 G N 1.415 110.261 108.800 0.075 0.000 2.756 13 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.678 13 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.678 13 G C -2.934 172.104 174.900 0.230 0.000 1.349 13 G CA -1.144 44.032 45.100 0.126 0.000 0.847 13 G HN -0.046 nan 8.290 nan 0.000 0.548 14 P HA 0.454 nan 4.420 nan 0.000 0.272 14 P C 0.104 177.566 177.300 0.269 0.000 1.230 14 P CA 0.363 63.595 63.100 0.221 0.000 0.788 14 P CB 1.586 33.368 31.700 0.137 0.000 0.949 15 T N -0.578 114.109 114.554 0.221 0.000 2.742 15 T HA 0.303 4.653 4.350 -0.000 0.000 0.282 15 T C -0.587 174.176 174.700 0.105 0.000 1.025 15 T CA -0.764 61.444 62.100 0.181 0.000 1.020 15 T CB 0.677 69.638 68.868 0.155 0.000 1.317 15 T HN 0.093 nan 8.240 nan 0.000 0.538 16 V N 2.375 122.348 119.914 0.099 0.000 2.644 16 V HA 0.313 4.433 4.120 -0.000 0.000 0.303 16 V C 1.902 178.021 176.094 0.041 0.000 1.058 16 V CA 1.573 63.914 62.300 0.067 0.000 1.228 16 V CB -0.254 31.601 31.823 0.054 0.000 0.861 16 V HN 1.358 nan 8.190 nan 0.000 0.484 17 G N 3.478 112.302 108.800 0.040 0.000 2.241 17 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 17 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 17 G C -0.041 174.873 174.900 0.023 0.000 0.998 17 G CA 0.081 45.195 45.100 0.023 0.000 0.621 17 G HN 0.690 nan 8.290 nan 0.000 0.519 18 D N 1.603 122.028 120.400 0.042 0.000 2.372 18 D HA 0.498 5.138 4.640 -0.000 0.000 0.243 18 D C 0.624 176.964 176.300 0.068 0.000 1.121 18 D CA 0.400 54.432 54.000 0.052 0.000 0.898 18 D CB 0.839 41.686 40.800 0.078 0.000 1.202 18 D HN 0.582 nan 8.370 nan 0.000 0.428 19 E N -0.037 120.214 120.200 0.085 0.000 2.244 19 E HA 0.581 4.931 4.350 -0.000 0.000 0.266 19 E C -0.923 175.825 176.600 0.247 0.000 0.914 19 E CA -1.029 55.467 56.400 0.159 0.000 0.794 19 E CB 2.359 32.148 29.700 0.148 0.000 1.210 19 E HN 0.056 nan 8.360 nan 0.000 0.414 20 V N 1.790 121.840 119.914 0.228 0.000 2.638 20 V HA 0.359 4.479 4.120 -0.000 0.000 0.306 20 V C -0.157 175.870 176.094 -0.111 0.000 1.052 20 V CA -0.927 61.429 62.300 0.093 0.000 0.885 20 V CB 1.805 33.603 31.823 -0.043 0.000 0.999 20 V HN 0.583 nan 8.190 nan 0.000 0.424 21 R N 3.690 123.935 120.500 -0.425 0.000 2.438 21 R HA 0.464 4.804 4.340 -0.000 0.000 0.287 21 R C -0.861 175.101 176.300 -0.562 0.000 1.077 21 R CA -0.516 55.027 56.100 -0.928 0.000 1.034 21 R CB 0.560 30.167 30.300 -1.156 0.000 0.993 21 R HN 0.707 nan 8.270 nan 0.000 0.459 22 L N 6.199 127.083 121.223 -0.566 0.000 2.342 22 L HA 0.219 4.559 4.340 -0.000 0.000 0.285 22 L C 1.198 177.904 176.870 -0.274 0.000 1.095 22 L CA 0.189 54.749 54.840 -0.467 0.000 0.843 22 L CB 0.473 42.185 42.059 -0.578 0.000 1.201 22 L HN 1.086 nan 8.230 nan 0.000 0.445 23 A N 4.087 126.804 122.820 -0.171 0.000 5.483 23 A HA -0.327 3.992 4.320 -0.000 0.000 0.309 23 A C 0.902 178.435 177.584 -0.085 0.000 1.898 23 A CA 1.520 53.509 52.037 -0.080 0.000 0.716 23 A CB -1.099 17.844 19.000 -0.095 0.000 1.309 23 A HN 0.966 nan 8.150 nan 0.000 0.380 24 D N 0.027 120.435 120.400 0.014 0.000 2.463 24 D HA 0.317 4.957 4.640 -0.000 0.000 0.224 24 D C 0.772 177.046 176.300 -0.044 0.000 1.174 24 D CA 1.064 55.059 54.000 -0.009 0.000 0.829 24 D CB -1.124 39.717 40.800 0.068 0.000 0.993 24 D HN 1.097 nan 8.370 nan 0.000 0.497 25 T N -2.663 111.834 114.554 -0.095 0.000 2.732 25 T HA 0.170 4.520 4.350 -0.000 0.000 0.287 25 T C 0.479 175.081 174.700 -0.162 0.000 0.993 25 T CA -0.403 61.641 62.100 -0.092 0.000 0.966 25 T CB 1.110 69.930 68.868 -0.081 0.000 1.047 25 T HN -0.273 nan 8.240 nan 0.000 0.527 26 D N -0.085 120.256 120.400 -0.097 0.000 2.342 26 D HA 0.267 4.907 4.640 -0.000 0.000 0.221 26 D C 0.006 176.246 176.300 -0.099 0.000 1.101 26 D CA 0.047 54.015 54.000 -0.055 0.000 0.837 26 D CB -0.298 40.541 40.800 0.066 0.000 0.938 26 D HN 0.426 nan 8.370 nan 0.000 0.508 27 L N 0.368 121.459 121.223 -0.221 0.000 2.305 27 L HA 0.337 4.676 4.340 -0.000 0.000 0.281 27 L C -0.551 176.095 176.870 -0.374 0.000 1.085 27 L CA -0.567 54.180 54.840 -0.154 0.000 0.813 27 L CB 0.782 42.783 42.059 -0.096 0.000 1.157 27 L HN -0.126 nan 8.230 nan 0.000 0.436 28 W N 4.951 126.211 121.300 -0.066 0.000 2.600 28 W HA 0.596 5.256 4.660 -0.000 0.000 0.325 28 W C -0.156 176.310 176.519 -0.089 0.000 1.034 28 W CA -0.543 56.753 57.345 -0.083 0.000 1.226 28 W CB 1.345 30.776 29.460 -0.049 0.000 1.379 28 W HN 0.246 nan 8.180 nan 0.000 0.466 29 I N -0.263 120.342 120.570 0.060 0.000 2.460 29 I HA 0.645 4.815 4.170 -0.000 0.000 0.298 29 I C -0.410 175.742 176.117 0.058 0.000 0.989 29 I CA -0.963 60.341 61.300 0.007 0.000 1.173 29 I CB 2.040 39.963 38.000 -0.128 0.000 1.338 29 I HN 0.436 nan 8.210 nan 0.000 0.456 30 E N 4.583 124.816 120.200 0.054 0.000 2.187 30 E HA 0.428 4.778 4.350 -0.000 0.000 0.268 30 E C -1.313 175.323 176.600 0.060 0.000 0.896 30 E CA -0.940 55.497 56.400 0.062 0.000 0.766 30 E CB 2.298 32.032 29.700 0.058 0.000 1.142 30 E HN 0.628 nan 8.360 nan 0.000 0.408 31 V N 5.017 124.972 119.914 0.068 0.000 2.450 31 V HA -0.035 4.085 4.120 -0.000 0.000 0.281 31 V C 0.908 177.057 176.094 0.092 0.000 1.019 31 V CA 0.700 63.053 62.300 0.089 0.000 1.062 31 V CB 0.760 32.643 31.823 0.100 0.000 0.979 31 V HN 0.858 nan 8.190 nan 0.000 0.477 32 E N 3.684 123.955 120.200 0.118 0.000 2.190 32 E HA 0.053 4.403 4.350 -0.000 0.000 0.191 32 E C 0.558 177.195 176.600 0.061 0.000 0.978 32 E CA 0.534 56.990 56.400 0.093 0.000 0.839 32 E CB 0.345 30.112 29.700 0.112 0.000 0.787 32 E HN 0.820 nan 8.360 nan 0.000 0.473 33 K N -0.238 120.212 120.400 0.083 0.000 2.607 33 K HA 0.370 4.689 4.320 -0.000 0.000 0.287 33 K C -1.906 174.723 176.600 0.047 0.000 0.996 33 K CA -0.902 55.381 56.287 -0.007 0.000 0.876 33 K CB 1.938 34.356 32.500 -0.135 0.000 1.496 33 K HN -0.240 nan 8.250 nan 0.000 0.415 34 D N 0.512 120.872 120.400 -0.066 0.000 2.936 34 D HA 0.269 4.909 4.640 -0.000 0.000 0.238 34 D C -0.828 175.398 176.300 -0.123 0.000 1.248 34 D CA -0.472 53.537 54.000 0.016 0.000 0.903 34 D CB 1.190 42.015 40.800 0.042 0.000 1.544 34 D HN 0.610 nan 8.370 nan 0.000 0.543 35 Y N 1.283 121.608 120.300 0.041 0.000 2.490 35 Y HA 0.079 4.629 4.550 -0.000 0.000 0.281 35 Y C 1.719 177.596 175.900 -0.038 0.000 1.174 35 Y CA 0.326 58.429 58.100 0.006 0.000 1.295 35 Y CB 0.493 38.986 38.460 0.055 0.000 1.062 35 Y HN 0.270 nan 8.280 nan 0.000 0.522 36 T N -0.171 114.408 114.554 0.042 0.000 2.726 36 T HA 0.132 4.481 4.350 -0.000 0.000 0.294 36 T C 0.183 174.787 174.700 -0.159 0.000 1.013 36 T CA 0.002 62.087 62.100 -0.025 0.000 0.996 36 T CB 0.496 69.369 68.868 0.007 0.000 1.016 36 T HN -0.029 nan 8.240 nan 0.000 0.529 37 T N 3.212 117.699 114.554 -0.111 0.000 2.842 37 T HA 0.349 4.699 4.350 -0.000 0.000 0.308 37 T C -1.101 173.569 174.700 -0.051 0.000 1.041 37 T CA -0.288 61.737 62.100 -0.124 0.000 0.964 37 T CB -0.099 68.745 68.868 -0.039 0.000 0.972 37 T HN 0.430 nan 8.240 nan 0.000 0.460 38 Y N 2.193 122.491 120.300 -0.004 0.000 2.745 38 Y HA 0.314 4.864 4.550 -0.000 0.000 0.335 38 Y C 1.653 177.552 175.900 -0.002 0.000 1.212 38 Y CA 0.983 59.082 58.100 -0.003 0.000 1.535 38 Y CB -0.327 38.117 38.460 -0.027 0.000 1.220 38 Y HN 1.003 nan 8.280 nan 0.000 0.531 39 G N 2.450 111.336 108.800 0.143 0.000 2.238 39 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 39 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 39 G C 0.475 175.393 174.900 0.030 0.000 0.996 39 G CA 0.098 45.239 45.100 0.068 0.000 0.632 39 G HN 0.534 nan 8.290 nan 0.000 0.503 40 D N 1.387 121.801 120.400 0.024 0.000 2.593 40 D HA 0.344 4.984 4.640 -0.000 0.000 0.241 40 D C 0.509 176.814 176.300 0.009 0.000 1.257 40 D CA -0.113 53.899 54.000 0.020 0.000 0.828 40 D CB 0.395 41.210 40.800 0.026 0.000 1.049 40 D HN 0.512 nan 8.370 nan 0.000 0.490 41 E N 0.026 120.201 120.200 -0.041 0.000 2.442 41 E HA 0.067 4.417 4.350 -0.000 0.000 0.262 41 E C 0.087 176.704 176.600 0.029 0.000 1.004 41 E CA 0.157 56.527 56.400 -0.050 0.000 0.928 41 E CB 1.077 30.610 29.700 -0.278 0.000 0.937 41 E HN -0.122 nan 8.360 nan 0.000 0.446 42 V N 3.627 123.581 119.914 0.068 0.000 2.607 42 V HA 0.362 4.482 4.120 -0.000 0.000 0.289 42 V C -0.229 175.945 176.094 0.133 0.000 1.053 42 V CA -0.349 62.008 62.300 0.095 0.000 0.996 42 V CB 0.770 32.648 31.823 0.090 0.000 0.995 42 V HN 0.913 nan 8.190 nan 0.000 0.476 43 N N 2.700 121.487 118.700 0.146 0.000 2.745 43 N HA 0.527 5.267 4.740 -0.000 0.000 0.256 43 N C -1.380 174.240 175.510 0.184 0.000 1.268 43 N CA -0.761 52.389 53.050 0.166 0.000 0.887 43 N CB 1.460 40.041 38.487 0.157 0.000 1.575 43 N HN 0.464 nan 8.380 nan 0.000 0.496 44 F N 0.411 120.385 119.950 0.039 0.000 2.520 44 F HA 0.919 5.446 4.527 -0.000 0.000 0.322 44 F C 0.325 176.136 175.800 0.018 0.000 1.103 44 F CA 0.487 58.503 58.000 0.027 0.000 0.926 44 F CB 1.544 40.557 39.000 0.023 0.000 1.154 44 F HN 1.028 nan 8.300 nan 0.000 0.453 45 G N 2.401 110.528 108.800 -1.122 0.000 2.356 45 G HA2 0.356 4.315 3.960 -0.000 0.000 0.288 45 G HA3 0.356 4.315 3.960 -0.000 0.000 0.288 45 G C -0.790 173.802 174.900 -0.514 0.000 1.302 45 G CA -0.441 44.174 45.100 -0.807 0.000 0.887 45 G HN 1.081 nan 8.290 nan 0.000 0.521 46 G N -0.619 108.000 108.800 -0.300 0.000 2.298 46 G HA2 0.533 4.493 3.960 -0.000 0.000 0.263 46 G HA3 0.533 4.493 3.960 -0.000 0.000 0.263 46 G C 1.451 176.268 174.900 -0.139 0.000 1.229 46 G CA 1.760 46.749 45.100 -0.185 0.000 0.976 46 G HN 2.434 nan 8.290 nan 0.000 0.459 47 G N 1.651 110.381 108.800 -0.117 0.000 2.168 47 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.257 47 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.257 47 G C 0.706 175.565 174.900 -0.068 0.000 0.997 47 G CA 0.905 45.960 45.100 -0.074 0.000 0.708 47 G HN 0.766 nan 8.290 nan 0.000 0.520 48 K N -1.098 119.241 120.400 -0.102 0.000 2.760 48 K HA 0.591 4.911 4.320 -0.000 0.000 0.285 48 K C 1.708 178.296 176.600 -0.020 0.000 1.016 48 K CA -0.186 56.064 56.287 -0.061 0.000 1.087 48 K CB 0.481 32.926 32.500 -0.093 0.000 1.427 48 K HN -0.026 nan 8.250 nan 0.000 0.524 49 V N 0.819 120.747 119.914 0.024 0.000 2.488 49 V HA -0.078 4.042 4.120 -0.000 0.000 0.246 49 V C 1.271 177.403 176.094 0.064 0.000 1.046 49 V CA 1.120 63.449 62.300 0.048 0.000 1.053 49 V CB -0.204 31.660 31.823 0.069 0.000 0.679 49 V HN 0.389 nan 8.190 nan 0.000 0.458 50 L N 2.639 123.923 121.223 0.101 0.000 2.384 50 L HA 0.297 4.637 4.340 -0.000 0.000 0.258 50 L C 0.172 177.127 176.870 0.141 0.000 1.266 50 L CA 0.440 55.367 54.840 0.146 0.000 1.162 50 L CB -0.589 41.609 42.059 0.232 0.000 1.375 50 L HN 0.270 nan 8.230 nan 0.000 0.420 51 R N 1.093 121.642 120.500 0.082 0.000 2.725 51 R HA 0.244 4.584 4.340 -0.000 0.000 0.277 51 R C -0.453 175.875 176.300 0.046 0.000 0.987 51 R CA -0.974 55.160 56.100 0.058 0.000 0.901 51 R CB 2.419 32.730 30.300 0.019 0.000 1.207 51 R HN 0.231 nan 8.270 nan 0.000 0.463 52 E N 1.132 121.356 120.200 0.040 0.000 2.558 52 E HA -0.064 4.286 4.350 -0.000 0.000 0.255 52 E C 0.566 177.176 176.600 0.016 0.000 0.968 52 E CA 1.735 58.151 56.400 0.027 0.000 0.939 52 E CB 0.567 30.279 29.700 0.020 0.000 0.921 52 E HN 0.821 nan 8.360 nan 0.000 0.477 53 G N 3.615 112.421 108.800 0.010 0.000 2.217 53 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.246 53 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.246 53 G C 0.646 175.553 174.900 0.013 0.000 0.990 53 G CA 0.677 45.779 45.100 0.004 0.000 0.627 53 G HN 0.526 nan 8.290 nan 0.000 0.522 54 M N -1.031 118.582 119.600 0.023 0.000 2.332 54 M HA 0.511 4.990 4.480 -0.000 0.000 0.209 54 M C 2.354 178.677 176.300 0.039 0.000 1.547 54 M CA 0.655 55.972 55.300 0.028 0.000 1.863 54 M CB -0.401 32.214 32.600 0.026 0.000 1.098 54 M HN 0.124 nan 8.290 nan 0.000 0.896 55 G N 0.267 109.096 108.800 0.048 0.000 2.572 55 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.216 55 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.216 55 G C 0.308 175.249 174.900 0.067 0.000 1.133 55 G CA 0.151 45.287 45.100 0.059 0.000 0.791 55 G HN 0.555 nan 8.290 nan 0.000 0.538 56 E N 1.028 121.267 120.200 0.066 0.000 2.156 56 E HA 0.156 4.506 4.350 -0.000 0.000 0.279 56 E C -0.466 176.164 176.600 0.050 0.000 0.965 56 E CA -0.859 55.581 56.400 0.066 0.000 0.789 56 E CB 0.447 30.192 29.700 0.075 0.000 1.098 56 E HN 0.108 nan 8.360 nan 0.000 0.397 57 N N 3.127 121.862 118.700 0.058 0.000 2.497 57 N HA 0.048 4.788 4.740 -0.000 0.000 0.268 57 N C 0.249 175.762 175.510 0.005 0.000 1.171 57 N CA 0.326 53.398 53.050 0.037 0.000 0.948 57 N CB 1.382 39.929 38.487 0.100 0.000 1.069 57 N HN 0.703 nan 8.380 nan 0.000 0.460 58 G N 1.824 110.599 108.800 -0.042 0.000 3.233 58 G HA2 0.006 3.966 3.960 -0.000 0.000 0.234 58 G HA3 0.006 3.966 3.960 -0.000 0.000 0.234 58 G C 0.860 175.702 174.900 -0.095 0.000 1.137 58 G CA 0.115 45.187 45.100 -0.046 0.000 0.763 58 G HN 0.604 nan 8.290 nan 0.000 0.549 59 T N -0.254 114.181 114.554 -0.199 0.000 3.045 59 T HA 0.173 4.523 4.350 -0.000 0.000 0.239 59 T C 0.265 174.800 174.700 -0.274 0.000 1.008 59 T CA 0.198 62.100 62.100 -0.329 0.000 1.143 59 T CB 0.029 68.516 68.868 -0.636 0.000 0.894 59 T HN 0.105 nan 8.240 nan 0.000 0.451 60 Y N 3.392 123.699 120.300 0.012 0.000 2.359 60 Y HA 0.365 4.915 4.550 -0.000 0.000 0.330 60 Y C 1.436 177.342 175.900 0.010 0.000 1.143 60 Y CA -1.447 56.659 58.100 0.011 0.000 1.318 60 Y CB -0.091 38.377 38.460 0.012 0.000 1.234 60 Y HN 0.112 nan 8.280 nan 0.000 0.522 61 T N -0.610 114.060 114.554 0.193 0.000 2.766 61 T HA 0.136 4.486 4.350 -0.000 0.000 0.295 61 T C 1.425 176.182 174.700 0.094 0.000 1.024 61 T CA -0.629 61.535 62.100 0.107 0.000 1.018 61 T CB 0.821 69.735 68.868 0.077 0.000 1.002 61 T HN 0.814 nan 8.240 nan 0.000 0.532 62 R N 0.178 120.713 120.500 0.058 0.000 2.091 62 R HA -0.146 4.193 4.340 -0.000 0.000 0.238 62 R C 2.378 178.697 176.300 0.031 0.000 1.136 62 R CA 2.169 58.295 56.100 0.043 0.000 0.959 62 R CB -1.147 29.171 30.300 0.031 0.000 0.856 62 R HN 0.933 nan 8.270 nan 0.000 0.437 63 T N -2.232 112.338 114.554 0.027 0.000 3.035 63 T HA -0.031 4.318 4.350 -0.000 0.000 0.268 63 T C 0.624 175.318 174.700 -0.011 0.000 1.109 63 T CA 0.686 62.792 62.100 0.010 0.000 1.119 63 T CB -0.011 68.863 68.868 0.010 0.000 0.900 63 T HN 0.320 nan 8.240 nan 0.000 0.503 64 E N 2.136 122.329 120.200 -0.011 0.000 2.122 64 E HA 0.235 4.584 4.350 -0.000 0.000 0.288 64 E C -0.198 176.308 176.600 -0.156 0.000 1.260 64 E CA -0.456 55.889 56.400 -0.092 0.000 1.344 64 E CB -0.287 29.372 29.700 -0.069 0.000 1.337 64 E HN 0.262 nan 8.360 nan 0.000 0.484 65 N N 0.010 118.647 118.700 -0.105 0.000 2.741 65 N HA -0.161 4.578 4.740 -0.000 0.000 0.250 65 N C -0.840 174.648 175.510 -0.037 0.000 1.115 65 N CA 0.562 53.558 53.050 -0.090 0.000 0.724 65 N CB -1.020 37.373 38.487 -0.156 0.000 1.090 65 N HN 0.123 nan 8.380 nan 0.000 0.558 66 V N 1.315 121.227 119.914 -0.002 0.000 2.532 66 V HA 0.430 4.550 4.120 -0.000 0.000 0.295 66 V C 0.985 177.092 176.094 0.022 0.000 1.041 66 V CA -0.636 61.683 62.300 0.032 0.000 0.926 66 V CB 2.051 33.913 31.823 0.064 0.000 0.992 66 V HN 0.070 nan 8.190 nan 0.000 0.457 67 L N 2.728 123.964 121.223 0.023 0.000 2.379 67 L HA 0.417 4.757 4.340 -0.000 0.000 0.269 67 L C 0.978 177.854 176.870 0.010 0.000 1.084 67 L CA -0.489 54.360 54.840 0.015 0.000 0.802 67 L CB 0.836 42.903 42.059 0.012 0.000 1.175 67 L HN 0.599 nan 8.230 nan 0.000 0.448 68 D N 0.776 121.180 120.400 0.006 0.000 2.213 68 D HA 0.098 4.738 4.640 -0.000 0.000 0.205 68 D C -0.108 176.179 176.300 -0.021 0.000 0.961 68 D CA 1.089 55.087 54.000 -0.005 0.000 0.853 68 D CB 0.505 41.304 40.800 -0.001 0.000 0.967 68 D HN 0.091 nan 8.370 nan 0.000 0.496 69 L N 0.322 121.532 121.223 -0.021 0.000 2.482 69 L HA 0.439 4.779 4.340 -0.000 0.000 0.263 69 L C -2.101 174.754 176.870 -0.024 0.000 0.957 69 L CA -0.911 53.907 54.840 -0.036 0.000 0.836 69 L CB 2.158 44.190 42.059 -0.044 0.000 1.324 69 L HN -0.239 nan 8.230 nan 0.000 0.406 70 L N 4.937 126.143 121.223 -0.028 0.000 2.349 70 L HA 0.657 4.996 4.340 -0.000 0.000 0.278 70 L C -1.519 175.344 176.870 -0.011 0.000 0.996 70 L CA -0.277 54.557 54.840 -0.010 0.000 0.825 70 L CB 1.590 43.653 42.059 0.006 0.000 1.243 70 L HN 0.605 nan 8.230 nan 0.000 0.412 71 L N 4.605 125.828 121.223 -0.000 0.000 2.261 71 L HA 0.454 4.794 4.340 -0.000 0.000 0.289 71 L C 0.505 177.394 176.870 0.032 0.000 1.059 71 L CA 0.034 54.880 54.840 0.009 0.000 0.816 71 L CB 1.102 43.166 42.059 0.007 0.000 1.191 71 L HN 0.747 nan 8.230 nan 0.000 0.431 72 T N -0.008 114.575 114.554 0.047 0.000 2.856 72 T HA 0.284 4.634 4.350 -0.000 0.000 0.292 72 T C 0.572 175.323 174.700 0.086 0.000 0.980 72 T CA -0.702 61.442 62.100 0.074 0.000 1.091 72 T CB 0.543 69.469 68.868 0.096 0.000 0.936 72 T HN 0.593 nan 8.240 nan 0.000 0.503 73 N N -0.119 118.642 118.700 0.101 0.000 2.738 73 N HA -0.150 4.589 4.740 -0.000 0.000 0.249 73 N C 0.039 175.609 175.510 0.100 0.000 1.047 73 N CA 0.797 53.920 53.050 0.123 0.000 0.707 73 N CB -1.658 36.921 38.487 0.152 0.000 0.937 73 N HN 1.133 nan 8.380 nan 0.000 0.545 74 A N 0.240 123.103 122.820 0.071 0.000 2.401 74 A HA 0.460 4.780 4.320 -0.000 0.000 0.259 74 A C 0.586 178.182 177.584 0.020 0.000 1.103 74 A CA -0.411 51.652 52.037 0.042 0.000 0.789 74 A CB 0.590 19.599 19.000 0.015 0.000 1.035 74 A HN 0.330 nan 8.150 nan 0.000 0.491 75 L N 4.411 125.643 121.223 0.016 0.000 2.302 75 L HA 0.433 4.772 4.340 -0.000 0.000 0.285 75 L C -0.430 176.392 176.870 -0.081 0.000 1.090 75 L CA -0.076 54.749 54.840 -0.025 0.000 0.866 75 L CB -0.334 41.724 42.059 -0.001 0.000 1.244 75 L HN 0.549 nan 8.230 nan 0.000 0.435 76 I N 5.374 125.812 120.570 -0.220 0.000 2.471 76 I HA 0.138 4.308 4.170 -0.000 0.000 0.286 76 I C -0.410 175.597 176.117 -0.183 0.000 1.079 76 I CA -0.238 60.905 61.300 -0.261 0.000 1.398 76 I CB 1.099 38.735 38.000 -0.607 0.000 1.403 76 I HN 0.494 nan 8.210 nan 0.000 0.530 77 L N 7.392 128.585 121.223 -0.050 0.000 2.345 77 L HA 0.604 4.944 4.340 -0.000 0.000 0.274 77 L C -1.145 175.775 176.870 0.083 0.000 0.999 77 L CA 0.265 55.102 54.840 -0.005 0.000 0.849 77 L CB 1.173 43.198 42.059 -0.058 0.000 1.220 77 L HN 0.598 nan 8.230 nan 0.000 0.422 78 D N 1.392 121.845 120.400 0.087 0.000 2.615 78 D HA 0.225 4.865 4.640 -0.000 0.000 0.267 78 D C 0.379 176.772 176.300 0.154 0.000 1.236 78 D CA -0.169 53.910 54.000 0.131 0.000 0.839 78 D CB 0.957 41.818 40.800 0.102 0.000 1.380 78 D HN 0.424 nan 8.370 nan 0.000 0.433 79 Y N -0.126 120.276 120.300 0.170 0.000 2.333 79 Y HA -0.067 4.482 4.550 -0.000 0.000 0.290 79 Y C 1.809 177.964 175.900 0.425 0.000 1.144 79 Y CA 1.886 60.169 58.100 0.305 0.000 1.228 79 Y CB -1.200 37.465 38.460 0.343 0.000 0.985 79 Y HN 0.314 nan 8.280 nan 0.000 0.542 80 T N -2.680 111.607 114.554 -0.446 0.000 3.055 80 T HA 0.463 4.813 4.350 -0.000 0.000 0.265 80 T C 0.965 175.707 174.700 0.070 0.000 1.111 80 T CA 0.468 62.372 62.100 -0.327 0.000 1.118 80 T CB -0.467 68.180 68.868 -0.368 0.000 0.909 80 T HN 0.839 nan 8.240 nan 0.000 0.501 81 G N 0.097 109.011 108.800 0.189 0.000 2.336 81 G HA2 0.416 4.376 3.960 -0.000 0.000 0.300 81 G HA3 0.416 4.376 3.960 -0.000 0.000 0.300 81 G C -1.958 173.129 174.900 0.312 0.000 1.375 81 G CA -1.110 44.163 45.100 0.288 0.000 0.885 81 G HN 0.314 nan 8.290 nan 0.000 0.599 82 I N 2.068 122.801 120.570 0.273 0.000 2.437 82 I HA 0.519 4.688 4.170 -0.000 0.000 0.279 82 I C -0.491 175.761 176.117 0.225 0.000 1.028 82 I CA -0.693 60.691 61.300 0.139 0.000 1.142 82 I CB 0.845 38.877 38.000 0.053 0.000 1.266 82 I HN 0.676 nan 8.210 nan 0.000 0.461 83 Y N 3.674 124.018 120.300 0.073 0.000 2.689 83 Y HA 0.687 5.237 4.550 -0.000 0.000 0.333 83 Y C -1.308 174.669 175.900 0.129 0.000 1.208 83 Y CA -1.708 56.453 58.100 0.101 0.000 1.055 83 Y CB 1.008 39.549 38.460 0.135 0.000 1.304 83 Y HN 0.197 nan 8.280 nan 0.000 0.455 84 K N 1.745 122.319 120.400 0.291 0.000 2.213 84 K HA 0.885 5.205 4.320 -0.000 0.000 0.270 84 K C -1.246 175.562 176.600 0.347 0.000 1.002 84 K CA -0.024 56.389 56.287 0.210 0.000 0.868 84 K CB 1.172 33.797 32.500 0.208 0.000 1.093 84 K HN 1.107 nan 8.250 nan 0.000 0.454 85 A N 3.241 126.190 122.820 0.215 0.000 2.610 85 A HA 0.449 4.769 4.320 -0.000 0.000 0.291 85 A C -1.631 176.015 177.584 0.105 0.000 1.086 85 A CA -0.968 51.203 52.037 0.224 0.000 0.677 85 A CB 0.858 20.000 19.000 0.237 0.000 1.278 85 A HN 0.679 nan 8.150 nan 0.000 0.414 86 D N 0.548 120.998 120.400 0.083 0.000 2.304 86 D HA 0.526 5.165 4.640 -0.000 0.000 0.247 86 D C -0.452 175.859 176.300 0.018 0.000 1.089 86 D CA 0.569 54.599 54.000 0.050 0.000 0.910 86 D CB 1.111 41.941 40.800 0.050 0.000 1.199 86 D HN 0.408 nan 8.370 nan 0.000 0.426 87 I N 0.820 121.399 120.570 0.014 0.000 2.406 87 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 87 I C 0.690 176.809 176.117 0.004 0.000 0.999 87 I CA -0.728 60.575 61.300 0.005 0.000 1.124 87 I CB 2.062 40.065 38.000 0.005 0.000 1.289 87 I HN 0.196 nan 8.210 nan 0.000 0.441 88 G N 5.520 114.322 108.800 0.004 0.000 2.372 88 G HA2 0.634 4.594 3.960 -0.000 0.000 0.323 88 G HA3 0.634 4.594 3.960 -0.000 0.000 0.323 88 G C -0.964 173.943 174.900 0.012 0.000 1.152 88 G CA -0.357 44.746 45.100 0.006 0.000 0.906 88 G HN 0.334 nan 8.290 nan 0.000 0.460 89 V N 1.880 121.797 119.914 0.006 0.000 2.604 89 V HA 0.706 4.826 4.120 -0.000 0.000 0.305 89 V C -0.091 176.015 176.094 0.020 0.000 1.043 89 V CA -0.815 61.490 62.300 0.008 0.000 0.888 89 V CB 1.968 33.774 31.823 -0.029 0.000 0.995 89 V HN 0.810 nan 8.190 nan 0.000 0.429 90 K N 2.369 122.799 120.400 0.051 0.000 2.550 90 K HA 0.334 4.654 4.320 -0.000 0.000 0.252 90 K C -0.857 175.807 176.600 0.108 0.000 0.943 90 K CA -0.519 55.803 56.287 0.058 0.000 0.806 90 K CB 1.530 34.057 32.500 0.047 0.000 1.289 90 K HN 0.735 nan 8.250 nan 0.000 0.435 91 D N 2.707 123.164 120.400 0.096 0.000 2.837 91 D HA -0.201 4.438 4.640 -0.000 0.000 0.230 91 D C 0.602 177.047 176.300 0.242 0.000 1.152 91 D CA 1.906 55.993 54.000 0.145 0.000 0.736 91 D CB -0.925 39.956 40.800 0.136 0.000 1.084 91 D HN 1.100 nan 8.370 nan 0.000 0.429 92 G N -1.427 107.444 108.800 0.118 0.000 2.179 92 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.260 92 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.260 92 G C 0.051 174.838 174.900 -0.187 0.000 0.977 92 G CA 0.661 45.737 45.100 -0.040 0.000 0.641 92 G HN 0.454 nan 8.290 nan 0.000 0.533 93 Y N -0.318 119.982 120.300 -0.000 0.000 2.549 93 Y HA 0.687 5.237 4.550 -0.000 0.000 0.339 93 Y C 1.044 176.950 175.900 0.011 0.000 1.053 93 Y CA -1.222 56.905 58.100 0.045 0.000 1.105 93 Y CB 1.098 39.631 38.460 0.122 0.000 1.258 93 Y HN 0.087 nan 8.280 nan 0.000 0.478 94 I N 2.840 123.506 120.570 0.161 0.000 2.505 94 I HA 0.019 4.189 4.170 -0.000 0.000 0.287 94 I C 0.864 177.056 176.117 0.126 0.000 1.104 94 I CA 0.105 61.467 61.300 0.103 0.000 1.387 94 I CB 0.427 38.480 38.000 0.088 0.000 1.404 94 I HN 0.588 nan 8.210 nan 0.000 0.528 95 V N 2.745 122.708 119.914 0.082 0.000 3.621 95 V HA 0.529 4.649 4.120 -0.000 0.000 0.263 95 V C 0.682 176.796 176.094 0.034 0.000 1.272 95 V CA 0.321 62.660 62.300 0.065 0.000 1.080 95 V CB 0.225 32.080 31.823 0.054 0.000 0.816 95 V HN 0.747 nan 8.190 nan 0.000 0.451 96 G N 0.303 109.116 108.800 0.021 0.000 2.753 96 G HA2 0.697 4.657 3.960 -0.000 0.000 0.297 96 G HA3 0.697 4.657 3.960 -0.000 0.000 0.297 96 G C -1.560 173.325 174.900 -0.024 0.000 1.430 96 G CA -0.598 44.497 45.100 -0.007 0.000 1.040 96 G HN 0.177 nan 8.290 nan 0.000 0.530 97 I N 2.467 122.995 120.570 -0.070 0.000 2.439 97 I HA 0.715 4.884 4.170 -0.000 0.000 0.283 97 I C 0.722 176.655 176.117 -0.306 0.000 1.023 97 I CA -0.091 61.139 61.300 -0.117 0.000 1.100 97 I CB 1.722 39.684 38.000 -0.064 0.000 1.238 97 I HN 0.880 nan 8.210 nan 0.000 0.445 98 G N 5.519 114.168 108.800 -0.251 0.000 2.570 98 G HA2 0.139 4.099 3.960 -0.000 0.000 0.072 98 G HA3 0.139 4.099 3.960 -0.000 0.000 0.072 98 G C -1.432 173.460 174.900 -0.014 0.000 1.030 98 G CA -0.357 44.571 45.100 -0.286 0.000 1.277 98 G HN 0.306 nan 8.290 nan 0.000 0.559 99 K N 1.167 121.585 120.400 0.030 0.000 2.545 99 K HA 0.605 4.925 4.320 -0.000 0.000 0.252 99 K C -0.241 176.384 176.600 0.043 0.000 0.948 99 K CA -0.095 56.230 56.287 0.062 0.000 0.827 99 K CB 1.218 33.767 32.500 0.082 0.000 1.128 99 K HN 0.786 nan 8.250 nan 0.000 0.429 100 G N 0.994 109.821 108.800 0.045 0.000 2.462 100 G HA2 0.732 4.692 3.960 -0.000 0.000 0.319 100 G HA3 0.732 4.692 3.960 -0.000 0.000 0.319 100 G C 0.005 174.936 174.900 0.052 0.000 1.171 100 G CA 0.143 45.269 45.100 0.043 0.000 0.920 100 G HN 0.812 nan 8.290 nan 0.000 0.499 101 G N 0.155 108.988 108.800 0.054 0.000 2.292 101 G HA2 0.173 4.133 3.960 -0.000 0.000 0.194 101 G HA3 0.173 4.133 3.960 -0.000 0.000 0.194 101 G C -1.326 173.614 174.900 0.067 0.000 1.329 101 G CA -0.243 44.893 45.100 0.061 0.000 1.100 101 G HN 1.032 nan 8.290 nan 0.000 0.470 102 N N 1.446 120.185 118.700 0.066 0.000 2.399 102 N HA 0.618 5.358 4.740 -0.000 0.000 0.280 102 N C -1.662 173.891 175.510 0.071 0.000 1.008 102 N CA -2.161 50.934 53.050 0.076 0.000 0.894 102 N CB 2.794 41.320 38.487 0.065 0.000 1.273 102 N HN 0.099 nan 8.380 nan 0.000 0.486 103 P HA 0.030 nan 4.420 nan 0.000 0.233 103 P C 0.261 177.604 177.300 0.071 0.000 1.167 103 P CA 0.546 63.692 63.100 0.076 0.000 0.770 103 P CB 0.607 32.358 31.700 0.085 0.000 0.837 104 D N 0.690 121.134 120.400 0.072 0.000 2.106 104 D HA -0.163 4.477 4.640 -0.000 0.000 0.191 104 D C 1.815 178.138 176.300 0.038 0.000 0.997 104 D CA 1.580 55.609 54.000 0.049 0.000 0.834 104 D CB -0.247 40.570 40.800 0.029 0.000 0.956 104 D HN 0.387 nan 8.370 nan 0.000 0.448 105 I N -4.710 115.882 120.570 0.038 0.000 4.439 105 I HA 0.255 4.425 4.170 -0.000 0.000 0.331 105 I C 0.257 176.394 176.117 0.033 0.000 1.345 105 I CA -0.258 61.060 61.300 0.031 0.000 1.193 105 I CB 0.354 38.371 38.000 0.028 0.000 1.221 105 I HN -0.249 nan 8.210 nan 0.000 0.429 106 M N 1.645 121.267 119.600 0.037 0.000 2.472 106 M HA 0.432 4.912 4.480 -0.000 0.000 0.331 106 M C -0.969 175.350 176.300 0.032 0.000 1.170 106 M CA -0.515 54.806 55.300 0.035 0.000 1.009 106 M CB 1.518 34.142 32.600 0.039 0.000 1.672 106 M HN -0.054 nan 8.290 nan 0.000 0.453 107 D N 0.610 121.025 120.400 0.026 0.000 2.283 107 D HA 0.422 5.061 4.640 -0.000 0.000 0.248 107 D C 0.870 177.182 176.300 0.021 0.000 1.072 107 D CA 0.649 54.662 54.000 0.021 0.000 0.929 107 D CB 1.368 42.177 40.800 0.015 0.000 1.182 107 D HN 0.885 nan 8.370 nan 0.000 0.433 108 G N 0.518 109.331 108.800 0.021 0.000 2.160 108 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.251 108 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.251 108 G C 0.209 175.131 174.900 0.037 0.000 1.008 108 G CA 0.142 45.257 45.100 0.025 0.000 0.724 108 G HN 0.438 nan 8.290 nan 0.000 0.514 109 V N 1.638 121.574 119.914 0.035 0.000 2.508 109 V HA 0.332 4.451 4.120 -0.000 0.000 0.281 109 V C 1.307 177.420 176.094 0.031 0.000 1.041 109 V CA 0.391 62.713 62.300 0.038 0.000 1.016 109 V CB 1.021 32.868 31.823 0.041 0.000 0.984 109 V HN 0.375 nan 8.190 nan 0.000 0.478 110 T N 9.298 123.869 114.554 0.029 0.000 2.902 110 T HA 0.078 4.428 4.350 -0.000 0.000 0.301 110 T C -1.432 173.272 174.700 0.007 0.000 1.012 110 T CA -0.423 61.687 62.100 0.016 0.000 1.151 110 T CB 0.988 69.857 68.868 0.001 0.000 0.946 110 T HN 0.551 nan 8.240 nan 0.000 0.542 111 P HA -0.070 nan 4.420 nan 0.000 0.218 111 P C 1.069 178.352 177.300 -0.029 0.000 1.149 111 P CA 0.773 63.864 63.100 -0.014 0.000 0.817 111 P CB 0.096 31.785 31.700 -0.019 0.000 0.785 112 N N -1.342 117.345 118.700 -0.021 0.000 2.279 112 N HA 0.072 4.812 4.740 -0.000 0.000 0.226 112 N C 0.246 175.751 175.510 -0.008 0.000 1.126 112 N CA 0.075 53.111 53.050 -0.023 0.000 0.846 112 N CB -0.534 37.942 38.487 -0.018 0.000 1.050 112 N HN 0.175 nan 8.380 nan 0.000 0.502 113 M N 0.951 120.550 119.600 -0.000 0.000 3.036 113 M HA 0.378 4.858 4.480 -0.000 0.000 0.323 113 M C -0.553 175.762 176.300 0.025 0.000 1.248 113 M CA -0.306 55.000 55.300 0.011 0.000 0.819 113 M CB 0.582 33.188 32.600 0.009 0.000 1.361 113 M HN -0.049 nan 8.290 nan 0.000 0.510 114 I N 0.886 121.473 120.570 0.027 0.000 2.416 114 I HA 0.129 4.299 4.170 -0.000 0.000 0.288 114 I C 0.178 176.330 176.117 0.059 0.000 1.051 114 I CA -0.601 60.733 61.300 0.056 0.000 1.375 114 I CB 1.061 39.110 38.000 0.083 0.000 1.407 114 I HN -0.061 nan 8.210 nan 0.000 0.516 115 V N 6.843 126.796 119.914 0.064 0.000 2.405 115 V HA 0.399 4.519 4.120 -0.000 0.000 0.264 115 V C 0.814 176.951 176.094 0.071 0.000 1.048 115 V CA 0.070 62.406 62.300 0.059 0.000 0.966 115 V CB 0.307 32.167 31.823 0.062 0.000 1.015 115 V HN 0.992 nan 8.190 nan 0.000 0.477 116 G N 2.984 111.822 108.800 0.063 0.000 3.251 116 G HA2 0.390 4.350 3.960 -0.000 0.000 0.248 116 G HA3 0.390 4.350 3.960 -0.000 0.000 0.248 116 G C 0.773 175.701 174.900 0.047 0.000 1.320 116 G CA 0.245 45.386 45.100 0.068 0.000 0.982 116 G HN 0.432 nan 8.290 nan 0.000 0.575 117 T N 1.045 115.624 114.554 0.042 0.000 2.759 117 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 117 T C 2.475 177.187 174.700 0.020 0.000 1.042 117 T CA 2.043 64.160 62.100 0.029 0.000 1.140 117 T CB -0.337 68.546 68.868 0.024 0.000 0.864 117 T HN 0.659 nan 8.240 nan 0.000 0.455 118 A N 0.992 123.826 122.820 0.023 0.000 2.239 118 A HA 0.141 4.461 4.320 -0.000 0.000 0.209 118 A C 1.148 178.732 177.584 -0.001 0.000 1.171 118 A CA 0.388 52.433 52.037 0.012 0.000 0.768 118 A CB -0.327 18.685 19.000 0.020 0.000 0.790 118 A HN 0.403 nan 8.150 nan 0.000 0.478 119 T N 0.837 115.389 114.554 -0.002 0.000 2.767 119 T HA 0.427 4.776 4.350 -0.000 0.000 0.288 119 T C -0.276 174.390 174.700 -0.057 0.000 0.963 119 T CA -0.363 61.726 62.100 -0.019 0.000 1.019 119 T CB 1.503 70.370 68.868 -0.002 0.000 0.923 119 T HN 0.425 nan 8.240 nan 0.000 0.468 120 E N 2.292 122.446 120.200 -0.077 0.000 2.318 120 E HA 0.502 4.852 4.350 -0.000 0.000 0.265 120 E C -1.193 175.313 176.600 -0.156 0.000 1.069 120 E CA -0.603 55.718 56.400 -0.132 0.000 0.893 120 E CB 0.857 30.493 29.700 -0.107 0.000 1.076 120 E HN 0.321 nan 8.360 nan 0.000 0.414 121 V N 4.711 124.468 119.914 -0.261 0.000 2.588 121 V HA 0.425 4.544 4.120 -0.000 0.000 0.304 121 V C -0.277 175.701 176.094 -0.194 0.000 1.042 121 V CA -0.649 61.510 62.300 -0.235 0.000 0.877 121 V CB 1.514 33.122 31.823 -0.358 0.000 0.996 121 V HN 0.648 nan 8.190 nan 0.000 0.425 122 I N 3.634 124.148 120.570 -0.093 0.000 2.378 122 I HA 0.630 4.799 4.170 -0.000 0.000 0.291 122 I C 0.513 176.629 176.117 -0.002 0.000 0.992 122 I CA -0.589 60.681 61.300 -0.049 0.000 1.154 122 I CB 1.872 39.848 38.000 -0.039 0.000 1.315 122 I HN 0.702 nan 8.210 nan 0.000 0.448 123 A N 4.929 127.765 122.820 0.027 0.000 2.347 123 A HA 0.607 4.927 4.320 -0.000 0.000 0.287 123 A C 0.734 178.348 177.584 0.051 0.000 1.199 123 A CA -0.158 51.916 52.037 0.062 0.000 0.851 123 A CB 0.474 19.526 19.000 0.087 0.000 1.118 123 A HN 0.906 nan 8.150 nan 0.000 0.525 124 A N 2.761 125.615 122.820 0.056 0.000 2.390 124 A HA 0.255 4.575 4.320 -0.000 0.000 0.232 124 A C 0.722 178.348 177.584 0.070 0.000 1.233 124 A CA -0.173 51.899 52.037 0.057 0.000 0.907 124 A CB -0.140 18.890 19.000 0.051 0.000 0.967 124 A HN 0.829 nan 8.150 nan 0.000 0.512 125 E N 0.201 120.446 120.200 0.074 0.000 2.480 125 E HA 0.244 4.594 4.350 -0.000 0.000 0.258 125 E C 0.864 177.498 176.600 0.057 0.000 0.984 125 E CA 0.647 57.092 56.400 0.075 0.000 0.930 125 E CB -0.052 29.687 29.700 0.065 0.000 0.936 125 E HN 0.956 nan 8.360 nan 0.000 0.466 126 G N 2.904 111.741 108.800 0.063 0.000 2.176 126 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.253 126 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.253 126 G C -0.029 174.913 174.900 0.071 0.000 0.979 126 G CA 0.345 45.479 45.100 0.055 0.000 0.641 126 G HN 0.485 nan 8.290 nan 0.000 0.530 127 K N -0.001 120.449 120.400 0.083 0.000 2.156 127 K HA 0.692 5.012 4.320 -0.000 0.000 0.250 127 K C 0.123 176.792 176.600 0.116 0.000 0.955 127 K CA -0.873 55.483 56.287 0.116 0.000 0.855 127 K CB 1.972 34.540 32.500 0.112 0.000 1.101 127 K HN 0.218 nan 8.250 nan 0.000 0.434 128 I N 1.853 122.529 120.570 0.177 0.000 2.331 128 I HA 0.164 4.333 4.170 -0.000 0.000 0.292 128 I C -0.310 176.002 176.117 0.324 0.000 0.998 128 I CA -0.929 60.471 61.300 0.167 0.000 1.267 128 I CB 1.429 39.463 38.000 0.057 0.000 1.386 128 I HN 0.021 nan 8.210 nan 0.000 0.476 129 V N 5.232 125.272 119.914 0.210 0.000 2.417 129 V HA 0.519 4.639 4.120 -0.000 0.000 0.291 129 V C 0.253 176.496 176.094 0.248 0.000 1.024 129 V CA -0.429 62.003 62.300 0.219 0.000 0.861 129 V CB 1.600 33.482 31.823 0.097 0.000 0.985 129 V HN 0.885 nan 8.190 nan 0.000 0.436 130 T N 1.793 116.568 114.554 0.368 0.000 2.907 130 T HA 0.855 5.205 4.350 -0.000 0.000 0.290 130 T C 0.048 174.919 174.700 0.285 0.000 1.066 130 T CA -0.356 61.962 62.100 0.363 0.000 1.012 130 T CB 1.908 71.114 68.868 0.563 0.000 1.184 130 T HN 1.005 nan 8.240 nan 0.000 0.522 131 A N 0.548 123.521 122.820 0.254 0.000 2.448 131 A HA 0.597 4.917 4.320 -0.000 0.000 0.239 131 A C 1.051 178.797 177.584 0.270 0.000 1.080 131 A CA -0.043 52.126 52.037 0.220 0.000 0.779 131 A CB -0.818 18.305 19.000 0.205 0.000 1.026 131 A HN 1.394 nan 8.150 nan 0.000 0.499 132 G N 0.155 109.083 108.800 0.213 0.000 2.441 132 G HA2 0.468 4.428 3.960 -0.000 0.000 0.243 132 G HA3 0.468 4.428 3.960 -0.000 0.000 0.243 132 G C 0.564 175.628 174.900 0.273 0.000 1.281 132 G CA 0.203 45.434 45.100 0.218 0.000 0.854 132 G HN 1.204 nan 8.290 nan 0.000 0.560 133 G N 0.142 109.128 108.800 0.310 0.000 2.491 133 G HA2 0.418 4.378 3.960 -0.000 0.000 0.242 133 G HA3 0.418 4.378 3.960 -0.000 0.000 0.242 133 G C -0.086 174.961 174.900 0.244 0.000 1.266 133 G CA -0.513 44.802 45.100 0.358 0.000 0.844 133 G HN 0.483 nan 8.290 nan 0.000 0.571 134 I N 2.372 123.082 120.570 0.235 0.000 2.371 134 I HA 0.188 4.358 4.170 -0.000 0.000 0.282 134 I C -0.672 175.545 176.117 0.167 0.000 1.031 134 I CA -1.074 60.330 61.300 0.174 0.000 1.180 134 I CB 1.162 39.228 38.000 0.109 0.000 1.336 134 I HN 0.344 nan 8.210 nan 0.000 0.467 135 D N 4.786 125.285 120.400 0.164 0.000 2.359 135 D HA 0.209 4.849 4.640 -0.000 0.000 0.230 135 D C 1.025 177.433 176.300 0.179 0.000 1.118 135 D CA -0.116 53.967 54.000 0.139 0.000 0.844 135 D CB 1.188 42.041 40.800 0.090 0.000 1.059 135 D HN 0.577 nan 8.370 nan 0.000 0.493 136 T N 0.328 114.996 114.554 0.189 0.000 3.145 136 T HA 0.111 4.461 4.350 -0.000 0.000 0.255 136 T C 0.561 175.379 174.700 0.197 0.000 1.039 136 T CA -0.149 62.106 62.100 0.258 0.000 0.928 136 T CB -0.464 68.579 68.868 0.291 0.000 1.029 136 T HN 0.499 nan 8.240 nan 0.000 0.554 137 H N 0.475 119.489 119.070 -0.094 0.000 2.379 137 H HA 0.580 5.136 4.556 -0.000 0.000 0.229 137 H C -1.414 173.796 175.328 -0.198 0.000 1.423 137 H CA -0.563 55.259 56.048 -0.377 0.000 1.375 137 H CB 0.290 29.583 29.762 -0.783 0.000 1.592 137 H HN 0.110 nan 8.280 nan 0.000 0.507 138 V N 3.268 123.173 119.914 -0.014 0.000 2.398 138 V HA 0.169 4.289 4.120 -0.000 0.000 0.286 138 V C 0.075 175.984 176.094 -0.307 0.000 1.026 138 V CA -0.729 61.459 62.300 -0.186 0.000 0.868 138 V CB 1.326 32.884 31.823 -0.442 0.000 0.982 138 V HN 0.688 nan 8.190 nan 0.000 0.443 139 H N 4.661 123.621 119.070 -0.182 0.000 2.594 139 H HA 0.298 4.854 4.556 -0.000 0.000 0.304 139 H C -0.899 174.323 175.328 -0.178 0.000 1.068 139 H CA -0.332 55.657 56.048 -0.098 0.000 1.308 139 H CB 0.941 30.713 29.762 0.018 0.000 1.409 139 H HN 0.489 nan 8.280 nan 0.000 0.460 140 F N 4.196 124.226 119.950 0.133 0.000 2.509 140 F HA 0.093 4.620 4.527 -0.000 0.000 0.350 140 F C 1.170 177.023 175.800 0.088 0.000 1.220 140 F CA 0.016 58.068 58.000 0.086 0.000 1.151 140 F CB -0.102 38.925 39.000 0.045 0.000 1.379 140 F HN 0.497 nan 8.300 nan 0.000 0.610 141 I N 0.802 121.492 120.570 0.199 0.000 3.971 141 I HA 0.079 4.249 4.170 -0.000 0.000 0.303 141 I C 0.247 176.426 176.117 0.103 0.000 1.233 141 I CA 0.204 61.585 61.300 0.135 0.000 1.346 141 I CB 0.429 38.482 38.000 0.089 0.000 1.273 141 I HN 0.321 nan 8.210 nan 0.000 0.448 142 N N 0.793 119.551 118.700 0.096 0.000 2.519 142 N HA 0.233 4.973 4.740 -0.000 0.000 0.291 142 N C -2.389 173.167 175.510 0.078 0.000 1.107 142 N CA -1.904 51.186 53.050 0.068 0.000 0.904 142 N CB 2.057 40.566 38.487 0.038 0.000 1.500 142 N HN -0.263 nan 8.380 nan 0.000 0.510 143 P HA -0.043 nan 4.420 nan 0.000 0.221 143 P C 0.182 177.514 177.300 0.053 0.000 1.145 143 P CA 0.970 64.113 63.100 0.073 0.000 0.795 143 P CB 0.384 32.114 31.700 0.049 0.000 0.775 144 D N -0.336 120.087 120.400 0.038 0.000 2.350 144 D HA -0.148 4.491 4.640 -0.000 0.000 0.216 144 D C 2.015 178.326 176.300 0.018 0.000 0.968 144 D CA 0.668 54.683 54.000 0.026 0.000 0.894 144 D CB -0.456 40.355 40.800 0.018 0.000 0.909 144 D HN 0.481 nan 8.370 nan 0.000 0.520 145 Q N 0.290 120.106 119.800 0.026 0.000 2.291 145 Q HA -0.077 4.262 4.340 -0.000 0.000 0.205 145 Q C 1.784 177.786 176.000 0.002 0.000 0.970 145 Q CA 0.896 56.706 55.803 0.012 0.000 0.876 145 Q CB -0.218 28.530 28.738 0.018 0.000 0.935 145 Q HN 0.109 nan 8.270 nan 0.000 0.455 146 V N 2.123 122.049 119.914 0.020 0.000 2.358 146 V HA -0.219 3.900 4.120 -0.000 0.000 0.246 146 V C 1.552 177.596 176.094 -0.083 0.000 1.047 146 V CA 2.133 64.435 62.300 0.003 0.000 1.035 146 V CB -0.515 31.330 31.823 0.037 0.000 0.658 146 V HN 0.348 nan 8.190 nan 0.000 0.452 147 D N -0.038 120.310 120.400 -0.086 0.000 2.178 147 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 147 D C 2.164 178.321 176.300 -0.238 0.000 0.974 147 D CA 0.977 54.855 54.000 -0.204 0.000 0.841 147 D CB -0.303 40.485 40.800 -0.021 0.000 0.953 147 D HN 0.280 nan 8.370 nan 0.000 0.478 148 V N 1.382 121.235 119.914 -0.102 0.000 2.282 148 V HA -0.291 3.828 4.120 -0.000 0.000 0.249 148 V C 2.501 178.535 176.094 -0.099 0.000 1.057 148 V CA 2.001 64.258 62.300 -0.072 0.000 1.032 148 V CB -0.834 30.968 31.823 -0.035 0.000 0.645 148 V HN 0.209 nan 8.190 nan 0.000 0.447 149 A N -0.386 122.374 122.820 -0.101 0.000 1.855 149 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 149 A C 2.217 179.717 177.584 -0.141 0.000 1.191 149 A CA 1.809 53.796 52.037 -0.083 0.000 0.613 149 A CB -0.597 18.377 19.000 -0.044 0.000 0.829 149 A HN 0.485 nan 8.150 nan 0.000 0.442 150 L N -0.623 120.442 121.223 -0.263 0.000 2.042 150 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 150 L C 3.043 179.649 176.870 -0.440 0.000 1.076 150 L CA 1.171 55.771 54.840 -0.401 0.000 0.749 150 L CB -0.522 41.110 42.059 -0.712 0.000 0.893 150 L HN 0.454 nan 8.230 nan 0.000 0.432 151 A N -0.804 121.732 122.820 -0.475 0.000 2.019 151 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 151 A C 1.890 179.444 177.584 -0.050 0.000 1.164 151 A CA 1.619 53.559 52.037 -0.162 0.000 0.644 151 A CB -0.582 18.414 19.000 -0.008 0.000 0.805 151 A HN 0.541 nan 8.150 nan 0.000 0.449 152 N N -0.844 117.838 118.700 -0.031 0.000 2.279 152 N HA 0.225 4.965 4.740 -0.000 0.000 0.226 152 N C 0.712 176.300 175.510 0.130 0.000 1.126 152 N CA 0.583 53.687 53.050 0.090 0.000 0.846 152 N CB -0.014 38.519 38.487 0.078 0.000 1.050 152 N HN 0.474 nan 8.380 nan 0.000 0.502 153 G N 1.430 110.214 108.800 -0.028 0.000 2.160 153 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 153 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 153 G C -0.086 174.869 174.900 0.092 0.000 1.022 153 G CA -0.143 44.951 45.100 -0.011 0.000 0.741 153 G HN 0.351 nan 8.290 nan 0.000 0.508 154 I N 1.049 121.643 120.570 0.040 0.000 2.365 154 I HA 0.417 4.587 4.170 -0.000 0.000 0.291 154 I C 1.512 177.669 176.117 0.066 0.000 1.004 154 I CA 0.251 61.595 61.300 0.073 0.000 1.311 154 I CB 1.588 39.616 38.000 0.046 0.000 1.401 154 I HN 0.239 nan 8.210 nan 0.000 0.491 155 T N -0.813 113.814 114.554 0.121 0.000 3.004 155 T HA 0.181 4.530 4.350 -0.000 0.000 0.266 155 T C 0.486 175.296 174.700 0.182 0.000 0.986 155 T CA -0.062 62.116 62.100 0.129 0.000 0.902 155 T CB 0.276 69.226 68.868 0.137 0.000 1.118 155 T HN 0.483 nan 8.240 nan 0.000 0.522 156 T N 2.521 117.198 114.554 0.205 0.000 2.879 156 T HA 0.626 4.975 4.350 -0.000 0.000 0.290 156 T C -1.115 173.739 174.700 0.257 0.000 0.993 156 T CA -0.616 61.646 62.100 0.271 0.000 0.975 156 T CB 1.599 70.653 68.868 0.311 0.000 0.981 156 T HN 0.210 nan 8.240 nan 0.000 0.439 157 L N 3.670 125.062 121.223 0.282 0.000 2.294 157 L HA 0.592 4.932 4.340 -0.000 0.000 0.283 157 L C -1.059 176.008 176.870 0.329 0.000 1.015 157 L CA -0.736 54.257 54.840 0.255 0.000 0.831 157 L CB 0.867 43.070 42.059 0.241 0.000 1.217 157 L HN 0.528 nan 8.230 nan 0.000 0.420 158 F N 1.777 121.820 119.950 0.154 0.000 2.458 158 F HA 0.816 5.343 4.527 -0.000 0.000 0.336 158 F C 0.741 176.609 175.800 0.114 0.000 1.114 158 F CA 0.197 58.303 58.000 0.176 0.000 0.987 158 F CB 2.034 41.109 39.000 0.124 0.000 1.130 158 F HN 0.543 nan 8.300 nan 0.000 0.458 159 G N 1.593 110.544 108.800 0.252 0.000 2.566 159 G HA2 0.482 4.442 3.960 -0.000 0.000 0.138 159 G HA3 0.482 4.442 3.960 -0.000 0.000 0.138 159 G C -0.953 174.093 174.900 0.243 0.000 1.133 159 G CA 0.024 45.208 45.100 0.140 0.000 1.037 159 G HN 1.095 nan 8.290 nan 0.000 0.491 160 G N -2.031 106.897 108.800 0.212 0.000 2.559 160 G HA2 0.883 4.843 3.960 -0.000 0.000 0.291 160 G HA3 0.883 4.843 3.960 -0.000 0.000 0.291 160 G C -0.277 174.842 174.900 0.365 0.000 1.424 160 G CA 0.848 46.153 45.100 0.343 0.000 0.786 160 G HN 2.490 nan 8.290 nan 0.000 0.485 161 G N -1.947 107.040 108.800 0.311 0.000 2.321 161 G HA2 0.504 4.464 3.960 -0.000 0.000 0.339 161 G HA3 0.504 4.464 3.960 -0.000 0.000 0.339 161 G C 0.157 175.173 174.900 0.193 0.000 1.518 161 G CA 0.758 46.016 45.100 0.264 0.000 0.994 161 G HN 1.850 nan 8.290 nan 0.000 0.668 162 T N -1.864 112.782 114.554 0.155 0.000 3.132 162 T HA 0.631 4.981 4.350 -0.000 0.000 0.274 162 T C 1.402 176.160 174.700 0.096 0.000 1.011 162 T CA 1.125 63.284 62.100 0.098 0.000 0.899 162 T CB 0.316 69.246 68.868 0.103 0.000 1.089 162 T HN 2.720 nan 8.240 nan 0.000 0.543 163 G N 2.531 111.408 108.800 0.127 0.000 2.396 163 G HA2 0.036 3.996 3.960 -0.000 0.000 0.254 163 G HA3 0.036 3.996 3.960 -0.000 0.000 0.254 163 G C -2.797 172.163 174.900 0.100 0.000 1.248 163 G CA -0.450 44.713 45.100 0.105 0.000 1.033 163 G HN 0.100 nan 8.290 nan 0.000 0.502 164 P HA 0.475 nan 4.420 nan 0.000 0.235 164 P C 0.370 177.701 177.300 0.051 0.000 1.725 164 P CA 0.886 64.021 63.100 0.058 0.000 0.894 164 P CB 0.001 31.725 31.700 0.040 0.000 1.704 165 A N 0.572 123.433 122.820 0.068 0.000 2.340 165 A HA 0.218 4.538 4.320 -0.000 0.000 0.268 165 A C 1.400 179.014 177.584 0.049 0.000 1.100 165 A CA -0.212 51.863 52.037 0.064 0.000 0.803 165 A CB 0.493 19.548 19.000 0.092 0.000 1.043 165 A HN -0.026 nan 8.150 nan 0.000 0.488 166 E N 1.820 122.030 120.200 0.016 0.000 2.118 166 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 166 E C 2.093 178.659 176.600 -0.056 0.000 0.992 166 E CA 1.955 58.336 56.400 -0.033 0.000 0.804 166 E CB -0.319 29.339 29.700 -0.070 0.000 0.741 166 E HN 0.852 nan 8.360 nan 0.000 0.458 167 G N -0.214 108.590 108.800 0.006 0.000 2.446 167 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 167 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 167 G C 1.754 176.728 174.900 0.123 0.000 1.168 167 G CA 1.141 46.275 45.100 0.057 0.000 0.771 167 G HN 0.276 nan 8.290 nan 0.000 0.551 168 S N 0.251 116.051 115.700 0.167 0.000 2.406 168 S HA 0.000 4.470 4.470 -0.000 0.000 0.228 168 S C 2.162 176.895 174.600 0.221 0.000 1.020 168 S CA 0.959 59.285 58.200 0.210 0.000 0.965 168 S CB -0.082 63.232 63.200 0.191 0.000 0.798 168 S HN 0.406 nan 8.310 nan 0.000 0.488 169 K N 1.186 121.646 120.400 0.101 0.000 2.283 169 K HA 0.072 4.392 4.320 -0.000 0.000 0.202 169 K C 1.982 178.561 176.600 -0.036 0.000 1.048 169 K CA 1.050 57.352 56.287 0.025 0.000 0.948 169 K CB -0.116 32.379 32.500 -0.009 0.000 0.742 169 K HN 0.342 nan 8.250 nan 0.000 0.458 170 A N 0.982 123.780 122.820 -0.037 0.000 2.014 170 A HA 0.014 4.334 4.320 -0.000 0.000 0.210 170 A C 1.000 178.572 177.584 -0.020 0.000 1.188 170 A CA 0.717 52.682 52.037 -0.119 0.000 0.731 170 A CB 0.345 19.163 19.000 -0.303 0.000 0.858 170 A HN 0.304 nan 8.150 nan 0.000 0.464 171 T N -2.116 112.510 114.554 0.120 0.000 2.916 171 T HA 0.431 4.781 4.350 -0.000 0.000 0.298 171 T C -0.208 174.578 174.700 0.144 0.000 1.031 171 T CA 0.233 62.400 62.100 0.112 0.000 0.993 171 T CB 1.135 69.957 68.868 -0.077 0.000 1.045 171 T HN 0.363 nan 8.240 nan 0.000 0.454 172 T N 0.818 115.332 114.554 -0.066 0.000 4.475 172 T HA 0.478 4.828 4.350 -0.000 0.000 0.254 172 T C -0.077 174.671 174.700 0.079 0.000 1.160 172 T CA -0.471 61.519 62.100 -0.183 0.000 1.091 172 T CB -1.246 67.504 68.868 -0.198 0.000 1.377 172 T HN 0.612 nan 8.240 nan 0.000 1.057 173 V N 2.095 122.099 119.914 0.150 0.000 2.623 173 V HA 0.441 4.560 4.120 -0.000 0.000 0.304 173 V C -0.061 176.115 176.094 0.136 0.000 1.054 173 V CA -0.826 61.566 62.300 0.154 0.000 0.882 173 V CB 2.462 34.416 31.823 0.219 0.000 1.002 173 V HN 0.695 nan 8.190 nan 0.000 0.424 174 T N 6.984 121.587 114.554 0.082 0.000 2.947 174 T HA 0.397 4.746 4.350 -0.000 0.000 0.337 174 T C -2.745 171.960 174.700 0.008 0.000 1.139 174 T CA -1.209 60.925 62.100 0.056 0.000 0.992 174 T CB 1.307 70.193 68.868 0.030 0.000 1.043 174 T HN 0.410 nan 8.240 nan 0.000 0.498 175 P HA 0.456 nan 4.420 nan 0.000 0.281 175 P C 0.522 177.811 177.300 -0.018 0.000 1.252 175 P CA 0.410 63.464 63.100 -0.077 0.000 0.778 175 P CB 0.744 32.338 31.700 -0.175 0.000 0.895 176 G N 5.084 113.866 108.800 -0.030 0.000 2.787 176 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.685 176 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.685 176 G C -2.214 172.712 174.900 0.043 0.000 1.437 176 G CA -0.686 44.419 45.100 0.008 0.000 0.872 176 G HN 0.252 nan 8.290 nan 0.000 0.566 177 P HA -0.093 nan 4.420 nan 0.000 0.216 177 P C 1.624 178.981 177.300 0.095 0.000 1.153 177 P CA 2.139 65.273 63.100 0.056 0.000 0.858 177 P CB 0.020 31.755 31.700 0.058 0.000 0.789 178 W N 0.415 121.696 121.300 -0.031 0.000 2.407 178 W HA -0.083 4.576 4.660 -0.000 0.000 0.305 178 W C 2.039 178.540 176.519 -0.029 0.000 1.196 178 W CA 1.256 58.584 57.345 -0.028 0.000 1.311 178 W CB -0.732 28.714 29.460 -0.023 0.000 1.135 178 W HN -0.178 nan 8.180 nan 0.000 0.514 179 N N 0.674 119.507 118.700 0.221 0.000 2.120 179 N HA -0.205 4.535 4.740 -0.000 0.000 0.188 179 N C 1.757 177.197 175.510 -0.117 0.000 1.024 179 N CA 2.154 55.224 53.050 0.034 0.000 0.852 179 N CB -0.761 37.812 38.487 0.143 0.000 1.003 179 N HN 0.279 nan 8.380 nan 0.000 0.424 180 I N 1.837 122.365 120.570 -0.070 0.000 2.127 180 I HA -0.259 3.911 4.170 -0.000 0.000 0.241 180 I C 2.193 178.213 176.117 -0.162 0.000 1.075 180 I CA 1.298 62.539 61.300 -0.098 0.000 1.334 180 I CB -0.277 37.690 38.000 -0.056 0.000 1.040 180 I HN 0.145 nan 8.210 nan 0.000 0.405 181 E N 0.642 120.727 120.200 -0.191 0.000 2.085 181 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 181 E C 2.178 178.587 176.600 -0.318 0.000 0.994 181 E CA 1.076 57.336 56.400 -0.234 0.000 0.801 181 E CB -0.012 29.546 29.700 -0.237 0.000 0.743 181 E HN 0.301 nan 8.360 nan 0.000 0.453 182 K N 0.208 120.320 120.400 -0.479 0.000 2.057 182 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 182 K C 1.957 178.375 176.600 -0.303 0.000 1.049 182 K CA 1.099 57.094 56.287 -0.486 0.000 0.931 182 K CB -0.222 31.851 32.500 -0.712 0.000 0.714 182 K HN 0.193 nan 8.250 nan 0.000 0.440 183 M N 0.402 119.846 119.600 -0.261 0.000 2.319 183 M HA 0.007 4.487 4.480 -0.000 0.000 0.265 183 M C 2.222 178.381 176.300 -0.234 0.000 1.068 183 M CA 0.952 56.113 55.300 -0.233 0.000 1.118 183 M CB -0.779 31.688 32.600 -0.222 0.000 1.395 183 M HN 0.028 nan 8.290 nan 0.000 0.435 184 L N -0.087 121.012 121.223 -0.208 0.000 2.093 184 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 184 L C 2.446 179.216 176.870 -0.167 0.000 1.085 184 L CA 1.204 55.936 54.840 -0.181 0.000 0.755 184 L CB -0.489 41.479 42.059 -0.152 0.000 0.904 184 L HN 0.286 nan 8.230 nan 0.000 0.435 185 K N -0.894 119.403 120.400 -0.172 0.000 2.097 185 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 185 K C 2.388 178.912 176.600 -0.126 0.000 1.050 185 K CA 1.400 57.599 56.287 -0.146 0.000 0.938 185 K CB -0.195 32.213 32.500 -0.153 0.000 0.718 185 K HN 0.103 nan 8.250 nan 0.000 0.442 186 S N 0.447 116.059 115.700 -0.146 0.000 2.383 186 S HA -0.119 4.351 4.470 -0.000 0.000 0.227 186 S C 1.809 176.340 174.600 -0.115 0.000 1.026 186 S CA 1.553 59.680 58.200 -0.122 0.000 0.981 186 S CB -0.270 62.844 63.200 -0.143 0.000 0.818 186 S HN 0.254 nan 8.310 nan 0.000 0.472 187 T N 2.240 116.701 114.554 -0.153 0.000 2.849 187 T HA -0.054 4.296 4.350 -0.000 0.000 0.270 187 T C 1.582 176.242 174.700 -0.067 0.000 1.066 187 T CA 1.086 63.100 62.100 -0.144 0.000 1.130 187 T CB -0.320 68.433 68.868 -0.193 0.000 0.864 187 T HN 0.416 nan 8.240 nan 0.000 0.481 188 E N 0.736 120.907 120.200 -0.049 0.000 2.219 188 E HA -0.088 4.262 4.350 -0.000 0.000 0.198 188 E C 2.177 178.833 176.600 0.093 0.000 0.998 188 E CA 1.105 57.520 56.400 0.025 0.000 0.818 188 E CB -0.415 29.276 29.700 -0.014 0.000 0.741 188 E HN 0.593 nan 8.360 nan 0.000 0.477 189 G N -0.079 108.740 108.800 0.031 0.000 3.233 189 G HA2 0.229 4.189 3.960 -0.000 0.000 0.234 189 G HA3 0.229 4.189 3.960 -0.000 0.000 0.234 189 G C 0.422 175.329 174.900 0.010 0.000 1.137 189 G CA -0.331 44.783 45.100 0.023 0.000 0.763 189 G HN 0.011 nan 8.290 nan 0.000 0.549 190 L N 2.054 123.281 121.223 0.007 0.000 2.264 190 L HA 0.332 4.672 4.340 -0.000 0.000 0.289 190 L C -1.968 174.921 176.870 0.031 0.000 1.044 190 L CA -2.003 52.847 54.840 0.016 0.000 0.807 190 L CB 2.101 44.164 42.059 0.006 0.000 1.192 190 L HN -0.111 nan 8.230 nan 0.000 0.425 191 P HA 0.279 nan 4.420 nan 0.000 0.220 191 P C -0.539 176.792 177.300 0.052 0.000 1.806 191 P CA 0.249 63.373 63.100 0.040 0.000 0.976 191 P CB 0.441 32.163 31.700 0.037 0.000 1.952 192 I N 0.439 121.051 120.570 0.070 0.000 2.842 192 I HA 0.239 4.409 4.170 -0.000 0.000 0.296 192 I C -1.140 175.048 176.117 0.118 0.000 1.538 192 I CA -0.859 60.499 61.300 0.097 0.000 0.994 192 I CB 2.125 40.182 38.000 0.096 0.000 1.372 192 I HN -0.183 nan 8.210 nan 0.000 0.478 193 N N 4.027 122.827 118.700 0.166 0.000 2.479 193 N HA 0.418 5.158 4.740 -0.000 0.000 0.257 193 N C -1.053 174.588 175.510 0.219 0.000 1.232 193 N CA -0.058 53.107 53.050 0.190 0.000 0.920 193 N CB 1.476 40.163 38.487 0.334 0.000 1.105 193 N HN 0.260 nan 8.380 nan 0.000 0.444 194 V N -0.405 119.604 119.914 0.159 0.000 2.841 194 V HA 0.756 4.876 4.120 -0.000 0.000 0.310 194 V C 0.254 176.300 176.094 -0.080 0.000 1.090 194 V CA -0.929 61.418 62.300 0.078 0.000 0.930 194 V CB 2.250 34.045 31.823 -0.046 0.000 1.014 194 V HN 0.781 nan 8.190 nan 0.000 0.425 195 G N 3.338 111.802 108.800 -0.559 0.000 2.617 195 G HA2 0.779 4.739 3.960 -0.000 0.000 0.306 195 G HA3 0.779 4.739 3.960 -0.000 0.000 0.306 195 G C -1.375 173.079 174.900 -0.743 0.000 1.360 195 G CA -0.521 43.834 45.100 -1.242 0.000 0.983 195 G HN 0.575 nan 8.290 nan 0.000 0.496 196 I N 1.863 122.227 120.570 -0.342 0.000 2.404 196 I HA 0.348 4.518 4.170 -0.000 0.000 0.293 196 I C -0.234 175.885 176.117 0.003 0.000 0.992 196 I CA -0.665 60.574 61.300 -0.101 0.000 1.149 196 I CB 1.950 39.884 38.000 -0.109 0.000 1.315 196 I HN 0.101 nan 8.210 nan 0.000 0.446 197 L N 5.475 126.746 121.223 0.081 0.000 2.289 197 L HA 0.576 4.916 4.340 -0.000 0.000 0.285 197 L C 0.775 177.677 176.870 0.054 0.000 1.049 197 L CA -0.465 54.431 54.840 0.094 0.000 0.804 197 L CB 1.265 43.399 42.059 0.125 0.000 1.195 197 L HN 0.656 nan 8.230 nan 0.000 0.428 198 G N 1.516 110.333 108.800 0.028 0.000 2.547 198 G HA2 0.233 4.193 3.960 -0.000 0.000 0.291 198 G HA3 0.233 4.193 3.960 -0.000 0.000 0.291 198 G C -0.700 174.187 174.900 -0.022 0.000 1.211 198 G CA -0.621 44.476 45.100 -0.006 0.000 0.950 198 G HN 0.568 nan 8.290 nan 0.000 0.504 199 K N 0.061 120.413 120.400 -0.081 0.000 2.378 199 K HA 0.235 4.554 4.320 -0.000 0.000 0.288 199 K C 0.882 177.449 176.600 -0.056 0.000 1.057 199 K CA -0.030 56.185 56.287 -0.120 0.000 0.971 199 K CB 0.282 32.567 32.500 -0.358 0.000 0.975 199 K HN 0.421 nan 8.250 nan 0.000 0.475 200 G N 5.455 114.235 108.800 -0.034 0.000 3.574 200 G HA2 0.054 4.014 3.960 -0.000 0.000 0.262 200 G HA3 0.054 4.014 3.960 -0.000 0.000 0.262 200 G C -0.536 174.085 174.900 -0.465 0.000 1.231 200 G CA -0.154 44.831 45.100 -0.192 0.000 1.608 200 G HN 0.675 nan 8.290 nan 0.000 0.628 201 H N -0.388 118.641 119.070 -0.069 0.000 2.759 201 H HA 0.626 5.182 4.556 -0.000 0.000 0.354 201 H C 0.241 175.539 175.328 -0.051 0.000 1.074 201 H CA 0.041 56.065 56.048 -0.041 0.000 1.226 201 H CB 2.399 32.140 29.762 -0.035 0.000 1.648 201 H HN 0.515 nan 8.280 nan 0.000 0.529 202 G N 0.100 108.942 108.800 0.070 0.000 2.352 202 G HA2 0.094 4.054 3.960 -0.000 0.000 0.302 202 G HA3 0.094 4.054 3.960 -0.000 0.000 0.302 202 G C -0.149 174.764 174.900 0.021 0.000 1.370 202 G CA -0.001 45.120 45.100 0.036 0.000 0.918 202 G HN 0.529 nan 8.290 nan 0.000 0.610 203 S N -1.610 114.100 115.700 0.016 0.000 2.666 203 S HA 0.557 5.027 4.470 -0.000 0.000 0.239 203 S C 0.621 175.222 174.600 0.002 0.000 1.031 203 S CA 0.658 58.864 58.200 0.010 0.000 1.015 203 S CB 0.671 63.880 63.200 0.016 0.000 0.981 203 S HN 0.870 nan 8.310 nan 0.000 0.547 204 S N 1.515 117.215 115.700 -0.001 0.000 2.532 204 S HA 0.539 5.008 4.470 -0.000 0.000 0.301 204 S C 0.862 175.456 174.600 -0.010 0.000 1.083 204 S CA -0.799 57.398 58.200 -0.005 0.000 1.025 204 S CB 1.168 64.365 63.200 -0.004 0.000 1.056 204 S HN 0.099 nan 8.310 nan 0.000 0.494 205 I N 1.836 122.399 120.570 -0.011 0.000 2.252 205 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 205 I C 2.577 178.686 176.117 -0.014 0.000 1.102 205 I CA 1.298 62.589 61.300 -0.014 0.000 1.385 205 I CB -1.716 36.277 38.000 -0.012 0.000 1.064 205 I HN 0.767 nan 8.210 nan 0.000 0.414 206 A N 1.809 124.622 122.820 -0.011 0.000 1.883 206 A HA -0.148 4.171 4.320 -0.000 0.000 0.217 206 A C 0.131 177.707 177.584 -0.013 0.000 1.186 206 A CA 1.868 53.899 52.037 -0.010 0.000 0.624 206 A CB -2.093 16.902 19.000 -0.008 0.000 0.822 206 A HN 0.295 nan 8.150 nan 0.000 0.444 207 P HA -0.105 nan 4.420 nan 0.000 0.218 207 P C 1.296 178.580 177.300 -0.026 0.000 1.148 207 P CA 0.949 64.037 63.100 -0.020 0.000 0.822 207 P CB -0.093 31.594 31.700 -0.021 0.000 0.784 208 I N -2.063 118.491 120.570 -0.027 0.000 2.235 208 I HA -0.149 4.020 4.170 -0.000 0.000 0.241 208 I C 2.323 178.425 176.117 -0.025 0.000 1.085 208 I CA 1.082 62.362 61.300 -0.033 0.000 1.378 208 I CB -0.544 37.433 38.000 -0.038 0.000 1.076 208 I HN -0.097 nan 8.210 nan 0.000 0.415 209 M N 1.638 121.226 119.600 -0.019 0.000 2.202 209 M HA -0.237 4.243 4.480 -0.000 0.000 0.262 209 M C 2.146 178.440 176.300 -0.010 0.000 1.063 209 M CA 1.866 57.158 55.300 -0.013 0.000 1.097 209 M CB -0.602 31.991 32.600 -0.011 0.000 1.382 209 M HN 0.333 nan 8.290 nan 0.000 0.413 210 E N -1.142 119.052 120.200 -0.010 0.000 2.265 210 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 210 E C 1.776 178.373 176.600 -0.005 0.000 0.996 210 E CA 1.278 57.675 56.400 -0.005 0.000 0.832 210 E CB -0.633 29.066 29.700 -0.003 0.000 0.756 210 E HN 0.705 nan 8.360 nan 0.000 0.491 211 Q N 0.319 120.113 119.800 -0.010 0.000 2.079 211 Q HA -0.107 4.232 4.340 -0.000 0.000 0.200 211 Q C 2.275 178.271 176.000 -0.005 0.000 0.974 211 Q CA 1.137 56.934 55.803 -0.010 0.000 0.840 211 Q CB -0.002 28.724 28.738 -0.020 0.000 0.898 211 Q HN 0.372 nan 8.270 nan 0.000 0.430 212 I N 1.522 122.091 120.570 -0.002 0.000 2.179 212 I HA -0.242 3.927 4.170 -0.000 0.000 0.242 212 I C 1.543 177.663 176.117 0.006 0.000 1.088 212 I CA 1.431 62.735 61.300 0.007 0.000 1.357 212 I CB -1.145 36.860 38.000 0.008 0.000 1.051 212 I HN 0.184 nan 8.210 nan 0.000 0.409 213 D N 1.064 121.464 120.400 0.001 0.000 2.218 213 D HA -0.068 4.572 4.640 -0.000 0.000 0.204 213 D C 2.141 178.438 176.300 -0.004 0.000 0.976 213 D CA 1.223 55.223 54.000 0.000 0.000 0.853 213 D CB 0.006 40.805 40.800 -0.001 0.000 0.939 213 D HN 0.326 nan 8.370 nan 0.000 0.481 214 A N -0.480 122.336 122.820 -0.006 0.000 2.119 214 A HA 0.363 4.683 4.320 -0.000 0.000 0.216 214 A C 1.825 179.394 177.584 -0.025 0.000 1.152 214 A CA 1.439 53.468 52.037 -0.014 0.000 0.708 214 A CB 0.096 19.090 19.000 -0.011 0.000 0.805 214 A HN 0.295 nan 8.150 nan 0.000 0.460 215 G N -2.762 106.028 108.800 -0.017 0.000 2.370 215 G HA2 0.263 4.222 3.960 -0.000 0.000 0.174 215 G HA3 0.263 4.222 3.960 -0.000 0.000 0.174 215 G C 0.382 175.274 174.900 -0.014 0.000 1.002 215 G CA 0.021 45.108 45.100 -0.022 0.000 0.730 215 G HN 1.304 nan 8.290 nan 0.000 0.497 216 A N 0.385 123.202 122.820 -0.005 0.000 2.466 216 A HA 0.716 5.036 4.320 -0.000 0.000 0.238 216 A C 1.432 179.047 177.584 0.051 0.000 1.074 216 A CA 1.266 53.310 52.037 0.010 0.000 0.774 216 A CB 0.719 19.727 19.000 0.014 0.000 1.015 216 A HN 1.706 nan 8.150 nan 0.000 0.498 217 A N 0.926 123.800 122.820 0.090 0.000 2.390 217 A HA 0.587 4.907 4.320 -0.000 0.000 0.232 217 A C 0.896 178.633 177.584 0.255 0.000 1.233 217 A CA 0.916 53.074 52.037 0.201 0.000 0.907 217 A CB -0.449 18.717 19.000 0.276 0.000 0.967 217 A HN 2.285 nan 8.150 nan 0.000 0.512 218 G N -1.462 107.439 108.800 0.168 0.000 2.321 218 G HA2 0.469 4.428 3.960 -0.000 0.000 0.296 218 G HA3 0.469 4.428 3.960 -0.000 0.000 0.296 218 G C -1.448 173.493 174.900 0.067 0.000 1.287 218 G CA -0.631 44.545 45.100 0.125 0.000 0.846 218 G HN 0.274 nan 8.290 nan 0.000 0.508 222 H N 6.039 125.451 119.070 0.570 0.000 2.600 222 H HA 0.291 4.847 4.556 -0.000 0.000 0.357 222 H C 0.491 175.948 175.328 0.216 0.000 1.106 222 H CA -0.400 55.836 56.048 0.313 0.000 1.193 222 H CB 2.497 32.412 29.762 0.255 0.000 1.594 222 H HN 0.855 nan 8.280 nan 0.000 0.526 223 E N 2.292 122.533 120.200 0.069 0.000 2.209 223 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 223 E C 0.082 176.759 176.600 0.129 0.000 0.993 223 E CA 1.636 58.111 56.400 0.126 0.000 0.819 223 E CB 0.164 29.915 29.700 0.084 0.000 0.745 223 E HN 0.460 nan 8.360 nan 0.000 0.477 224 D N 0.136 120.662 120.400 0.210 0.000 2.264 224 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 224 D C 0.608 176.675 176.300 -0.388 0.000 0.966 224 D CA 0.907 54.780 54.000 -0.211 0.000 0.864 224 D CB -0.232 40.253 40.800 -0.524 0.000 0.933 224 D HN 0.488 nan 8.370 nan 0.000 0.499 225 W N 0.368 121.531 121.300 -0.228 0.000 3.220 225 W HA 0.396 5.056 4.660 -0.000 0.000 0.328 225 W C 0.635 176.904 176.519 -0.418 0.000 1.205 225 W CA -0.030 57.021 57.345 -0.490 0.000 1.773 225 W CB 0.756 29.607 29.460 -1.015 0.000 1.086 225 W HN -0.071 nan 8.180 nan 0.000 0.622 226 G N 1.235 110.063 108.800 0.047 0.000 2.780 226 G HA2 0.063 4.023 3.960 -0.000 0.000 0.364 226 G HA3 0.063 4.023 3.960 -0.000 0.000 0.364 226 G C -0.150 174.962 174.900 0.354 0.000 1.045 226 G CA -0.599 44.602 45.100 0.167 0.000 1.202 226 G HN 0.404 nan 8.290 nan 0.000 0.534 227 A N 2.157 125.149 122.820 0.286 0.000 3.135 227 A HA 0.645 4.965 4.320 -0.000 0.000 0.253 227 A C 1.367 179.034 177.584 0.138 0.000 1.638 227 A CA 0.966 53.149 52.037 0.244 0.000 1.295 227 A CB -0.589 18.515 19.000 0.173 0.000 1.106 227 A HN 2.061 nan 8.150 nan 0.000 0.648 228 T N -2.897 111.740 114.554 0.138 0.000 2.847 228 T HA 0.409 4.759 4.350 -0.000 0.000 0.279 228 T C -1.662 173.075 174.700 0.062 0.000 0.984 228 T CA -1.533 60.621 62.100 0.090 0.000 0.988 228 T CB 0.806 69.727 68.868 0.088 0.000 1.040 228 T HN 0.084 nan 8.240 nan 0.000 0.528 229 P HA -0.073 nan 4.420 nan 0.000 0.216 229 P C 1.630 178.940 177.300 0.017 0.000 1.153 229 P CA 1.637 64.755 63.100 0.029 0.000 0.858 229 P CB -0.322 31.392 31.700 0.023 0.000 0.789 230 A N -0.880 121.953 122.820 0.022 0.000 1.873 230 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 230 A C 2.408 179.992 177.584 0.000 0.000 1.186 230 A CA 2.124 54.169 52.037 0.013 0.000 0.616 230 A CB -1.495 17.518 19.000 0.022 0.000 0.823 230 A HN 0.110 nan 8.150 nan 0.000 0.442 231 S N -0.273 115.433 115.700 0.009 0.000 2.383 231 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 231 S C 1.790 176.325 174.600 -0.108 0.000 1.026 231 S CA 1.321 59.491 58.200 -0.051 0.000 0.981 231 S CB -0.502 62.682 63.200 -0.028 0.000 0.818 231 S HN 0.519 nan 8.310 nan 0.000 0.472 232 I N 1.519 122.050 120.570 -0.066 0.000 2.127 232 I HA -0.241 3.929 4.170 -0.000 0.000 0.241 232 I C 2.409 178.494 176.117 -0.053 0.000 1.075 232 I CA 1.675 62.938 61.300 -0.062 0.000 1.334 232 I CB -0.422 37.565 38.000 -0.021 0.000 1.040 232 I HN 0.253 nan 8.210 nan 0.000 0.405 233 D N 0.665 121.045 120.400 -0.033 0.000 2.084 233 D HA -0.193 4.447 4.640 -0.000 0.000 0.194 233 D C 2.337 178.617 176.300 -0.034 0.000 0.990 233 D CA 1.437 55.420 54.000 -0.028 0.000 0.826 233 D CB 0.089 40.879 40.800 -0.016 0.000 0.971 233 D HN 0.028 nan 8.370 nan 0.000 0.453 234 R N 0.314 120.792 120.500 -0.037 0.000 2.075 234 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 234 R C 2.580 178.851 176.300 -0.048 0.000 1.126 234 R CA 0.886 56.965 56.100 -0.036 0.000 0.963 234 R CB -1.152 29.130 30.300 -0.031 0.000 0.858 234 R HN 0.186 nan 8.270 nan 0.000 0.435 235 S N 1.516 117.173 115.700 -0.072 0.000 2.370 235 S HA -0.043 4.426 4.470 -0.000 0.000 0.226 235 S C 2.104 176.668 174.600 -0.060 0.000 1.033 235 S CA 1.011 59.163 58.200 -0.080 0.000 1.011 235 S CB -0.182 62.944 63.200 -0.123 0.000 0.852 235 S HN 0.200 nan 8.310 nan 0.000 0.457 236 L N 0.723 121.913 121.223 -0.055 0.000 2.156 236 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 236 L C 2.589 179.439 176.870 -0.033 0.000 1.095 236 L CA 0.960 55.773 54.840 -0.044 0.000 0.770 236 L CB -0.896 41.138 42.059 -0.042 0.000 0.914 236 L HN 0.279 nan 8.230 nan 0.000 0.439 237 T N -0.517 114.018 114.554 -0.030 0.000 2.746 237 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 237 T C 2.025 176.712 174.700 -0.022 0.000 1.039 237 T CA 1.280 63.367 62.100 -0.023 0.000 1.142 237 T CB -0.149 68.707 68.868 -0.020 0.000 0.866 237 T HN 0.041 nan 8.240 nan 0.000 0.444 238 V N 1.677 121.576 119.914 -0.025 0.000 2.295 238 V HA -0.181 3.938 4.120 -0.000 0.000 0.246 238 V C 2.870 178.954 176.094 -0.018 0.000 1.049 238 V CA 1.771 64.058 62.300 -0.021 0.000 1.024 238 V CB -1.161 30.647 31.823 -0.026 0.000 0.648 238 V HN 0.531 nan 8.190 nan 0.000 0.447 239 A N -0.386 122.420 122.820 -0.023 0.000 1.933 239 A HA -0.244 4.075 4.320 -0.000 0.000 0.218 239 A C 1.994 179.568 177.584 -0.016 0.000 1.175 239 A CA 1.960 53.986 52.037 -0.019 0.000 0.628 239 A CB -0.596 18.388 19.000 -0.027 0.000 0.814 239 A HN 0.527 nan 8.150 nan 0.000 0.444 240 D N -0.808 119.581 120.400 -0.019 0.000 2.178 240 D HA -0.127 4.513 4.640 -0.000 0.000 0.202 240 D C 1.890 178.182 176.300 -0.013 0.000 0.974 240 D CA 1.380 55.370 54.000 -0.017 0.000 0.841 240 D CB -0.166 40.624 40.800 -0.017 0.000 0.953 240 D HN 0.765 nan 8.370 nan 0.000 0.478 241 E N 0.098 120.291 120.200 -0.012 0.000 2.076 241 E HA -0.034 4.315 4.350 -0.000 0.000 0.190 241 E C 1.746 178.343 176.600 -0.006 0.000 0.979 241 E CA 0.779 57.174 56.400 -0.009 0.000 0.807 241 E CB 0.101 29.796 29.700 -0.009 0.000 0.761 241 E HN 0.128 nan 8.360 nan 0.000 0.454 242 A N 0.605 123.423 122.820 -0.003 0.000 2.178 242 A HA -0.017 4.303 4.320 -0.000 0.000 0.211 242 A C 0.476 178.065 177.584 0.008 0.000 1.157 242 A CA 0.783 52.822 52.037 0.003 0.000 0.780 242 A CB 0.101 19.105 19.000 0.006 0.000 0.828 242 A HN 0.422 nan 8.150 nan 0.000 0.476 243 D N -0.918 119.483 120.400 0.002 0.000 2.760 243 D HA -0.121 4.519 4.640 -0.000 0.000 0.244 243 D C -0.159 176.149 176.300 0.013 0.000 1.123 243 D CA 1.040 55.041 54.000 0.001 0.000 0.719 243 D CB -1.722 39.077 40.800 -0.001 0.000 1.045 243 D HN 1.009 nan 8.370 nan 0.000 0.426 244 V N -2.013 117.908 119.914 0.012 0.000 3.102 244 V HA 0.850 4.970 4.120 -0.000 0.000 0.312 244 V C -0.040 176.056 176.094 0.003 0.000 1.135 244 V CA -0.987 61.329 62.300 0.026 0.000 1.022 244 V CB 2.037 33.890 31.823 0.050 0.000 1.056 244 V HN 0.098 nan 8.190 nan 0.000 0.436 245 Q N 0.788 120.589 119.800 0.002 0.000 2.230 245 Q HA 0.691 5.031 4.340 -0.000 0.000 0.248 245 Q C -1.031 174.953 176.000 -0.028 0.000 0.915 245 Q CA -0.370 55.420 55.803 -0.021 0.000 0.900 245 Q CB 1.819 30.536 28.738 -0.035 0.000 1.229 245 Q HN 0.826 nan 8.270 nan 0.000 0.439 246 V N 2.609 122.488 119.914 -0.059 0.000 2.417 246 V HA 0.832 4.952 4.120 -0.000 0.000 0.291 246 V C -0.322 175.658 176.094 -0.190 0.000 1.024 246 V CA -0.667 61.569 62.300 -0.106 0.000 0.861 246 V CB 1.102 32.868 31.823 -0.095 0.000 0.985 246 V HN 0.890 nan 8.190 nan 0.000 0.436 247 A N 5.326 127.933 122.820 -0.354 0.000 2.294 247 A HA 0.937 5.257 4.320 -0.000 0.000 0.330 247 A C -0.739 176.513 177.584 -0.553 0.000 1.133 247 A CA -0.628 50.960 52.037 -0.748 0.000 0.836 247 A CB 1.176 19.205 19.000 -1.617 0.000 1.190 247 A HN 0.898 nan 8.150 nan 0.000 0.492 248 I N 0.232 120.473 120.570 -0.548 0.000 2.656 248 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 248 I C -1.090 174.961 176.117 -0.111 0.000 1.144 248 I CA -0.446 60.718 61.300 -0.227 0.000 1.038 248 I CB 1.860 39.794 38.000 -0.109 0.000 1.244 248 I HN 0.906 nan 8.210 nan 0.000 0.420 249 H N 6.347 125.366 119.070 -0.084 0.000 2.725 249 H HA 0.479 5.035 4.556 -0.000 0.000 0.283 249 H C -0.270 175.028 175.328 -0.050 0.000 1.110 249 H CA -0.567 55.483 56.048 0.004 0.000 1.289 249 H CB 0.873 30.580 29.762 -0.091 0.000 1.400 249 H HN 0.670 nan 8.280 nan 0.000 0.493 250 S N 2.621 118.404 115.700 0.138 0.000 2.634 250 S HA -0.026 4.443 4.470 -0.000 0.000 0.261 250 S C 0.386 174.938 174.600 -0.080 0.000 1.271 250 S CA -0.927 57.276 58.200 0.004 0.000 0.985 250 S CB 1.089 64.267 63.200 -0.037 0.000 0.968 250 S HN 0.743 nan 8.310 nan 0.000 0.568 251 D N 0.549 120.761 120.400 -0.314 0.000 2.398 251 D HA 0.178 4.818 4.640 -0.000 0.000 0.250 251 D C 1.076 177.202 176.300 -0.291 0.000 1.287 251 D CA 0.103 53.965 54.000 -0.231 0.000 0.992 251 D CB -0.130 40.575 40.800 -0.158 0.000 1.071 251 D HN 0.543 nan 8.370 nan 0.000 0.514 252 T N 3.427 117.953 114.554 -0.047 0.000 2.699 252 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 252 T C 1.567 176.339 174.700 0.120 0.000 1.036 252 T CA 0.628 62.761 62.100 0.054 0.000 1.147 252 T CB 0.054 69.032 68.868 0.184 0.000 0.862 252 T HN 0.302 nan 8.240 nan 0.000 0.446 253 L N 1.463 122.755 121.223 0.115 0.000 2.610 253 L HA 0.191 4.531 4.340 -0.000 0.000 0.232 253 L C 0.749 177.685 176.870 0.111 0.000 1.149 253 L CA 0.507 55.421 54.840 0.122 0.000 0.872 253 L CB -1.368 40.729 42.059 0.063 0.000 0.992 253 L HN 0.305 nan 8.230 nan 0.000 0.447 254 N N 0.138 118.913 118.700 0.126 0.000 2.721 254 N HA -0.292 4.447 4.740 -0.000 0.000 0.249 254 N C 1.397 176.876 175.510 -0.051 0.000 1.072 254 N CA 1.124 54.244 53.050 0.115 0.000 0.710 254 N CB -0.951 37.655 38.487 0.200 0.000 0.993 254 N HN 0.599 nan 8.380 nan 0.000 0.547 255 E N 0.220 120.413 120.200 -0.011 0.000 2.028 255 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 255 E C 1.480 178.044 176.600 -0.059 0.000 0.988 255 E CA 1.476 57.857 56.400 -0.032 0.000 0.799 255 E CB 0.018 29.716 29.700 -0.004 0.000 0.755 255 E HN 0.461 nan 8.360 nan 0.000 0.447 256 A N 0.090 122.892 122.820 -0.030 0.000 2.348 256 A HA 0.452 4.772 4.320 -0.000 0.000 0.224 256 A C 0.556 178.107 177.584 -0.054 0.000 1.227 256 A CA 0.545 52.564 52.037 -0.031 0.000 0.885 256 A CB 0.711 19.716 19.000 0.009 0.000 0.933 256 A HN 0.348 nan 8.150 nan 0.000 0.506 257 G N -1.633 107.115 108.800 -0.088 0.000 2.368 257 G HA2 0.454 4.414 3.960 -0.000 0.000 0.293 257 G HA3 0.454 4.414 3.960 -0.000 0.000 0.293 257 G C -1.128 173.687 174.900 -0.141 0.000 1.467 257 G CA -0.758 44.264 45.100 -0.131 0.000 0.804 257 G HN -0.010 nan 8.290 nan 0.000 0.535 258 F N -0.437 119.505 119.950 -0.014 0.000 2.403 258 F HA 0.539 5.066 4.527 -0.000 0.000 0.326 258 F C 1.706 177.157 175.800 -0.580 0.000 1.099 258 F CA -0.790 57.115 58.000 -0.157 0.000 1.036 258 F CB 0.833 39.783 39.000 -0.085 0.000 1.336 258 F HN 0.410 nan 8.300 nan 0.000 0.497 259 L N 1.474 122.371 121.223 -0.544 0.000 2.021 259 L HA -0.233 4.106 4.340 -0.000 0.000 0.215 259 L C 2.452 179.165 176.870 -0.262 0.000 1.074 259 L CA 2.035 56.501 54.840 -0.624 0.000 0.760 259 L CB -1.011 40.897 42.059 -0.251 0.000 0.889 259 L HN 0.709 nan 8.230 nan 0.000 0.433 260 E N -1.158 118.980 120.200 -0.104 0.000 2.160 260 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 260 E C 1.564 178.143 176.600 -0.035 0.000 0.991 260 E CA 1.756 58.130 56.400 -0.043 0.000 0.810 260 E CB -0.889 28.815 29.700 0.008 0.000 0.742 260 E HN 0.641 nan 8.360 nan 0.000 0.466 261 D N 0.822 121.205 120.400 -0.029 0.000 2.117 261 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 261 D C 1.774 178.070 176.300 -0.007 0.000 0.982 261 D CA 1.715 55.710 54.000 -0.009 0.000 0.828 261 D CB -0.145 40.655 40.800 0.001 0.000 0.967 261 D HN 0.225 nan 8.370 nan 0.000 0.464 262 T N 1.498 116.043 114.554 -0.015 0.000 2.777 262 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 262 T C 2.255 176.946 174.700 -0.016 0.000 1.040 262 T CA 0.427 62.554 62.100 0.045 0.000 1.141 262 T CB -0.158 68.826 68.868 0.193 0.000 0.868 262 T HN 0.087 nan 8.240 nan 0.000 0.444 263 L N 0.451 121.633 121.223 -0.069 0.000 2.083 263 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 263 L C 2.803 179.638 176.870 -0.058 0.000 1.083 263 L CA 1.236 56.013 54.840 -0.104 0.000 0.752 263 L CB -0.394 41.559 42.059 -0.177 0.000 0.899 263 L HN 0.150 nan 8.230 nan 0.000 0.433 264 R N 0.135 120.615 120.500 -0.033 0.000 2.075 264 R HA -0.150 4.189 4.340 -0.000 0.000 0.232 264 R C 2.338 178.630 176.300 -0.012 0.000 1.126 264 R CA 1.308 57.399 56.100 -0.015 0.000 0.963 264 R CB -0.197 30.100 30.300 -0.004 0.000 0.858 264 R HN 0.327 nan 8.270 nan 0.000 0.435 265 A N 1.005 123.820 122.820 -0.009 0.000 1.933 265 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 265 A C 2.112 179.687 177.584 -0.016 0.000 1.175 265 A CA 1.342 53.375 52.037 -0.007 0.000 0.628 265 A CB -0.478 18.524 19.000 0.003 0.000 0.814 265 A HN 0.357 nan 8.150 nan 0.000 0.444 266 I N -1.072 119.484 120.570 -0.024 0.000 2.226 266 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 266 I C 1.152 177.252 176.117 -0.027 0.000 1.100 266 I CA 1.268 62.549 61.300 -0.032 0.000 1.374 266 I CB -0.412 37.559 38.000 -0.048 0.000 1.057 266 I HN 0.506 nan 8.210 nan 0.000 0.413 267 N N 0.814 119.499 118.700 -0.024 0.000 2.740 267 N HA -0.203 4.537 4.740 -0.000 0.000 0.248 267 N C 0.655 176.158 175.510 -0.012 0.000 1.062 267 N CA 0.947 53.988 53.050 -0.015 0.000 0.704 267 N CB -1.140 37.340 38.487 -0.012 0.000 0.968 267 N HN 0.660 nan 8.380 nan 0.000 0.547 268 G N -1.462 107.331 108.800 -0.013 0.000 2.179 268 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.260 268 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.260 268 G C 0.309 175.203 174.900 -0.011 0.000 0.977 268 G CA 0.559 45.657 45.100 -0.005 0.000 0.641 268 G HN 0.680 nan 8.290 nan 0.000 0.533 269 R N -0.162 120.326 120.500 -0.019 0.000 2.582 269 R HA 0.477 4.817 4.340 -0.000 0.000 0.271 269 R C 0.741 177.025 176.300 -0.026 0.000 1.078 269 R CA -0.306 55.781 56.100 -0.022 0.000 1.127 269 R CB 0.952 31.236 30.300 -0.025 0.000 1.038 269 R HN 0.113 nan 8.270 nan 0.000 0.500 270 V N 3.459 123.357 119.914 -0.028 0.000 2.715 270 V HA 0.256 4.376 4.120 -0.000 0.000 0.299 270 V C 0.451 176.524 176.094 -0.036 0.000 1.054 270 V CA 0.127 62.408 62.300 -0.031 0.000 1.077 270 V CB 0.556 32.358 31.823 -0.035 0.000 0.972 270 V HN 0.619 nan 8.190 nan 0.000 0.484 271 I N 2.029 122.580 120.570 -0.033 0.000 2.841 271 I HA 0.398 4.568 4.170 -0.000 0.000 0.298 271 I C -0.832 175.287 176.117 0.004 0.000 1.304 271 I CA -0.609 60.671 61.300 -0.034 0.000 1.019 271 I CB 2.339 40.309 38.000 -0.049 0.000 1.282 271 I HN 0.845 nan 8.210 nan 0.000 0.432 272 H N 5.066 124.048 119.070 -0.147 0.000 2.594 272 H HA 0.366 4.921 4.556 -0.000 0.000 0.304 272 H C -0.905 174.307 175.328 -0.194 0.000 1.068 272 H CA -0.442 55.518 56.048 -0.147 0.000 1.308 272 H CB 1.213 30.873 29.762 -0.169 0.000 1.409 272 H HN 0.457 nan 8.280 nan 0.000 0.460 273 S N 6.243 122.054 115.700 0.186 0.000 2.399 273 S HA 0.167 4.637 4.470 -0.000 0.000 0.301 273 S C -0.383 174.317 174.600 0.166 0.000 1.093 273 S CA -0.761 57.480 58.200 0.067 0.000 1.077 273 S CB -0.332 62.907 63.200 0.066 0.000 0.980 273 S HN 0.399 nan 8.310 nan 0.000 0.494 274 F N 4.111 123.926 119.950 -0.225 0.000 2.444 274 F HA 0.209 4.736 4.527 -0.000 0.000 0.331 274 F C 1.412 176.934 175.800 -0.464 0.000 1.167 274 F CA -0.556 57.215 58.000 -0.382 0.000 1.262 274 F CB -0.246 38.370 39.000 -0.641 0.000 1.196 274 F HN 0.802 nan 8.300 nan 0.000 0.583 275 H N -0.951 118.279 119.070 0.267 0.000 2.166 275 H HA -0.150 4.406 4.556 -0.000 0.000 0.323 275 H C 0.744 176.113 175.328 0.067 0.000 0.936 275 H CA 0.398 56.512 56.048 0.110 0.000 1.073 275 H CB -1.876 27.906 29.762 0.033 0.000 1.592 275 H HN 0.345 nan 8.280 nan 0.000 0.346 276 V N 0.089 120.099 119.914 0.160 0.000 2.594 276 V HA -0.235 3.885 4.120 -0.000 0.000 0.253 276 V C 2.453 178.590 176.094 0.071 0.000 1.069 276 V CA 2.301 64.664 62.300 0.105 0.000 1.082 276 V CB -0.101 31.767 31.823 0.075 0.000 0.680 276 V HN 0.801 nan 8.190 nan 0.000 0.469 277 E N 0.230 120.466 120.200 0.060 0.000 2.110 277 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 277 E C 1.768 178.354 176.600 -0.024 0.000 0.988 277 E CA 1.381 57.784 56.400 0.004 0.000 0.804 277 E CB -0.030 29.667 29.700 -0.005 0.000 0.745 277 E HN 0.711 nan 8.360 nan 0.000 0.458 278 G N -0.347 108.452 108.800 -0.002 0.000 2.218 278 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.216 278 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.216 278 G C 1.295 176.112 174.900 -0.139 0.000 0.994 278 G CA 0.714 45.776 45.100 -0.063 0.000 0.637 278 G HN 0.582 nan 8.290 nan 0.000 0.505 279 A N 0.639 123.385 122.820 -0.123 0.000 1.940 279 A HA 0.308 4.627 4.320 -0.000 0.000 0.219 279 A C 2.620 180.112 177.584 -0.154 0.000 1.176 279 A CA 2.429 54.396 52.037 -0.117 0.000 0.631 279 A CB -0.830 18.136 19.000 -0.058 0.000 0.814 279 A HN 1.628 nan 8.150 nan 0.000 0.446 280 G N -1.648 107.001 108.800 -0.251 0.000 2.744 280 G HA2 0.438 4.397 3.960 -0.000 0.000 0.211 280 G HA3 0.438 4.397 3.960 -0.000 0.000 0.211 280 G C 0.718 175.047 174.900 -0.953 0.000 1.143 280 G CA 0.767 45.539 45.100 -0.546 0.000 0.788 280 G HN 1.655 nan 8.290 nan 0.000 0.534 281 G N -2.351 106.072 108.800 -0.630 0.000 2.402 281 G HA2 0.571 4.531 3.960 -0.000 0.000 0.666 281 G HA3 0.571 4.531 3.960 -0.000 0.000 0.666 281 G C -0.232 174.477 174.900 -0.318 0.000 1.402 281 G CA -0.069 44.707 45.100 -0.540 0.000 0.920 281 G HN 1.894 nan 8.290 nan 0.000 0.651 282 G N 0.022 108.736 108.800 -0.144 0.000 2.335 282 G HA2 0.469 4.428 3.960 -0.000 0.000 0.592 282 G HA3 0.469 4.428 3.960 -0.000 0.000 0.592 282 G C -0.396 174.496 174.900 -0.013 0.000 1.442 282 G CA -0.181 44.884 45.100 -0.057 0.000 0.976 282 G HN 1.645 nan 8.290 nan 0.000 0.652 283 H N 0.016 119.122 119.070 0.060 0.000 3.218 283 H HA 0.179 4.735 4.556 -0.000 0.000 0.259 283 H C 1.192 176.538 175.328 0.030 0.000 0.834 283 H CA 1.497 57.591 56.048 0.077 0.000 1.424 283 H CB 0.023 29.840 29.762 0.092 0.000 1.405 283 H HN 1.038 nan 8.280 nan 0.000 0.520 284 A N 6.994 129.895 122.820 0.135 0.000 2.331 284 A HA 0.273 4.593 4.320 -0.000 0.000 0.283 284 A C -1.294 176.300 177.584 0.017 0.000 1.142 284 A CA -1.232 50.810 52.037 0.008 0.000 0.812 284 A CB 0.638 19.631 19.000 -0.012 0.000 1.074 284 A HN 0.499 nan 8.150 nan 0.000 0.497 285 P HA 0.117 nan 4.420 nan 0.000 0.274 285 P C -0.369 176.819 177.300 -0.187 0.000 1.352 285 P CA 0.306 63.229 63.100 -0.295 0.000 0.947 285 P CB 0.445 31.729 31.700 -0.694 0.000 1.437 286 D N -0.836 119.525 120.400 -0.065 0.000 2.501 286 D HA 0.021 4.660 4.640 -0.000 0.000 0.226 286 D C 1.342 177.647 176.300 0.009 0.000 1.198 286 D CA -0.628 53.351 54.000 -0.036 0.000 0.830 286 D CB -0.531 40.248 40.800 -0.034 0.000 1.014 286 D HN -0.025 nan 8.370 nan 0.000 0.496 287 I N 0.523 121.116 120.570 0.039 0.000 2.335 287 I HA -0.134 4.036 4.170 -0.000 0.000 0.251 287 I C 2.070 178.214 176.117 0.046 0.000 1.129 287 I CA 1.130 62.477 61.300 0.078 0.000 1.402 287 I CB -0.169 37.888 38.000 0.095 0.000 1.069 287 I HN 0.057 nan 8.210 nan 0.000 0.424 288 M N -0.071 119.538 119.600 0.016 0.000 2.435 288 M HA -0.164 4.315 4.480 -0.000 0.000 0.262 288 M C 2.032 178.347 176.300 0.025 0.000 1.065 288 M CA 1.617 56.924 55.300 0.012 0.000 1.076 288 M CB -0.175 32.416 32.600 -0.016 0.000 1.403 288 M HN 0.368 nan 8.290 nan 0.000 0.454 289 A N 0.207 123.048 122.820 0.036 0.000 2.125 289 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 289 A C 1.947 179.623 177.584 0.153 0.000 1.156 289 A CA 1.197 53.276 52.037 0.070 0.000 0.671 289 A CB -0.587 18.453 19.000 0.066 0.000 0.794 289 A HN 0.540 nan 8.150 nan 0.000 0.459 290 M N -0.424 119.243 119.600 0.112 0.000 2.143 290 M HA -0.226 4.253 4.480 -0.000 0.000 0.258 290 M C 2.271 178.664 176.300 0.154 0.000 1.071 290 M CA 1.668 57.033 55.300 0.107 0.000 1.088 290 M CB -1.276 31.346 32.600 0.037 0.000 1.360 290 M HN 0.509 nan 8.290 nan 0.000 0.404 291 A N -0.341 122.531 122.820 0.088 0.000 2.239 291 A HA 0.161 4.481 4.320 -0.000 0.000 0.209 291 A C 2.196 179.798 177.584 0.029 0.000 1.171 291 A CA 1.345 53.404 52.037 0.038 0.000 0.768 291 A CB -1.046 17.947 19.000 -0.012 0.000 0.790 291 A HN 0.561 nan 8.150 nan 0.000 0.478 292 G N -1.852 106.980 108.800 0.053 0.000 2.838 292 G HA2 0.121 4.081 3.960 -0.000 0.000 0.210 292 G HA3 0.121 4.081 3.960 -0.000 0.000 0.210 292 G C 0.595 175.433 174.900 -0.104 0.000 1.153 292 G CA -0.194 44.875 45.100 -0.053 0.000 0.778 292 G HN 0.637 nan 8.290 nan 0.000 0.539 293 H N 0.453 119.510 119.070 -0.023 0.000 2.511 293 H HA 0.138 4.693 4.556 -0.000 0.000 0.346 293 H C -1.359 173.953 175.328 -0.026 0.000 1.128 293 H CA -1.439 54.596 56.048 -0.021 0.000 1.342 293 H CB 2.432 32.184 29.762 -0.017 0.000 1.470 293 H HN 0.002 nan 8.280 nan 0.000 0.546 294 P HA -0.120 nan 4.420 nan 0.000 0.221 294 P C 0.784 178.098 177.300 0.023 0.000 1.150 294 P CA 1.050 64.165 63.100 0.026 0.000 0.800 294 P CB 0.349 32.054 31.700 0.008 0.000 0.787 295 N N -0.364 118.362 118.700 0.044 0.000 2.322 295 N HA 0.037 4.776 4.740 -0.000 0.000 0.194 295 N C -0.105 175.405 175.510 0.001 0.000 1.126 295 N CA 0.028 53.085 53.050 0.012 0.000 0.845 295 N CB -0.143 38.349 38.487 0.008 0.000 0.976 295 N HN -0.019 nan 8.380 nan 0.000 0.475 296 V N 1.776 121.702 119.914 0.020 0.000 2.398 296 V HA 0.348 4.468 4.120 -0.000 0.000 0.286 296 V C 0.007 176.092 176.094 -0.015 0.000 1.026 296 V CA -0.781 61.524 62.300 0.008 0.000 0.868 296 V CB 1.882 33.724 31.823 0.032 0.000 0.982 296 V HN 0.105 nan 8.190 nan 0.000 0.443 297 L N 7.975 129.174 121.223 -0.041 0.000 2.272 297 L HA 0.468 4.807 4.340 -0.000 0.000 0.284 297 L C -2.477 174.342 176.870 -0.086 0.000 1.045 297 L CA -1.481 53.292 54.840 -0.111 0.000 0.842 297 L CB 1.625 43.558 42.059 -0.210 0.000 1.224 297 L HN 0.423 nan 8.230 nan 0.000 0.430 298 P HA 0.282 nan 4.420 nan 0.000 0.301 298 P C -0.959 176.379 177.300 0.062 0.000 1.338 298 P CA -0.461 62.662 63.100 0.038 0.000 0.834 298 P CB 1.849 33.550 31.700 0.002 0.000 0.967 299 S N 1.609 117.438 115.700 0.214 0.000 2.600 299 S HA 0.702 5.171 4.470 -0.000 0.000 0.300 299 S C -0.177 174.553 174.600 0.216 0.000 1.087 299 S CA -0.671 57.678 58.200 0.250 0.000 0.965 299 S CB 1.124 64.601 63.200 0.462 0.000 1.089 299 S HN 0.258 nan 8.310 nan 0.000 0.496 300 S N 1.491 117.327 115.700 0.227 0.000 2.608 300 S HA 0.741 5.211 4.470 -0.000 0.000 0.291 300 S C 0.432 175.113 174.600 0.135 0.000 1.146 300 S CA -0.722 57.605 58.200 0.213 0.000 1.043 300 S CB 1.378 64.773 63.200 0.325 0.000 1.037 300 S HN 0.983 nan 8.310 nan 0.000 0.520 301 T N -0.172 114.440 114.554 0.097 0.000 2.849 301 T HA 0.320 4.670 4.350 -0.000 0.000 0.276 301 T C 0.785 175.488 174.700 0.004 0.000 0.971 301 T CA -0.694 61.401 62.100 -0.008 0.000 0.949 301 T CB 0.358 69.179 68.868 -0.079 0.000 1.093 301 T HN 0.583 nan 8.240 nan 0.000 0.545 302 N N -0.978 117.702 118.700 -0.033 0.000 2.280 302 N HA 0.173 4.913 4.740 -0.000 0.000 0.192 302 N C -1.755 173.764 175.510 0.016 0.000 1.109 302 N CA -0.848 52.191 53.050 -0.018 0.000 0.855 302 N CB -0.859 37.600 38.487 -0.047 0.000 0.974 302 N HN 0.339 nan 8.380 nan 0.000 0.482 303 P HA -0.019 nan 4.420 nan 0.000 0.220 303 P C 1.107 178.550 177.300 0.238 0.000 1.152 303 P CA 1.576 64.763 63.100 0.145 0.000 0.812 303 P CB -0.240 31.531 31.700 0.119 0.000 0.792 304 T N -3.670 110.969 114.554 0.142 0.000 3.148 304 T HA 0.092 4.441 4.350 -0.000 0.000 0.253 304 T C 0.805 175.524 174.700 0.032 0.000 1.134 304 T CA 0.046 62.138 62.100 -0.013 0.000 1.051 304 T CB -0.418 68.407 68.868 -0.072 0.000 0.959 304 T HN -0.100 nan 8.240 nan 0.000 0.525 305 R N 2.630 123.155 120.500 0.041 0.000 2.265 305 R HA 0.468 4.807 4.340 -0.000 0.000 0.328 305 R C -2.794 173.522 176.300 0.027 0.000 0.969 305 R CA -2.338 53.776 56.100 0.023 0.000 0.832 305 R CB 1.323 31.604 30.300 -0.031 0.000 1.139 305 R HN 0.298 nan 8.270 nan 0.000 0.457 306 P HA 0.235 nan 4.420 nan 0.000 0.301 306 P C -0.607 176.784 177.300 0.152 0.000 1.309 306 P CA -0.771 62.382 63.100 0.088 0.000 0.782 306 P CB 0.578 32.325 31.700 0.078 0.000 1.282 307 F N 1.621 121.568 119.950 -0.005 0.000 2.466 307 F HA 0.316 4.843 4.527 -0.000 0.000 0.363 307 F C 0.299 176.094 175.800 -0.008 0.000 1.109 307 F CA 0.113 58.102 58.000 -0.019 0.000 1.161 307 F CB -0.793 38.200 39.000 -0.012 0.000 1.117 307 F HN 0.251 nan 8.300 nan 0.000 0.539 308 T N 2.245 116.730 114.554 -0.115 0.000 2.910 308 T HA 0.440 4.790 4.350 -0.000 0.000 0.287 308 T C 1.070 175.593 174.700 -0.296 0.000 1.050 308 T CA -0.172 61.795 62.100 -0.222 0.000 1.011 308 T CB 1.166 69.994 68.868 -0.066 0.000 1.195 308 T HN 0.550 nan 8.240 nan 0.000 0.540 309 V N -0.330 119.454 119.914 -0.217 0.000 2.626 309 V HA 0.001 4.121 4.120 -0.000 0.000 0.252 309 V C 1.704 177.757 176.094 -0.068 0.000 1.067 309 V CA 1.376 63.577 62.300 -0.165 0.000 1.081 309 V CB -1.101 30.654 31.823 -0.113 0.000 0.686 309 V HN 0.802 nan 8.190 nan 0.000 0.468 310 N N 0.329 119.012 118.700 -0.028 0.000 2.353 310 N HA 0.018 4.758 4.740 -0.000 0.000 0.185 310 N C 1.646 177.197 175.510 0.069 0.000 1.098 310 N CA 1.104 54.166 53.050 0.019 0.000 0.872 310 N CB 0.198 38.698 38.487 0.021 0.000 0.970 310 N HN 0.556 nan 8.380 nan 0.000 0.467 311 T N 2.051 116.653 114.554 0.080 0.000 2.652 311 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 311 T C 1.971 176.767 174.700 0.161 0.000 1.039 311 T CA 0.733 62.918 62.100 0.141 0.000 1.153 311 T CB 0.075 69.024 68.868 0.135 0.000 0.863 311 T HN 0.109 nan 8.240 nan 0.000 0.428 312 I N 1.770 122.420 120.570 0.133 0.000 2.179 312 I HA -0.125 4.045 4.170 -0.000 0.000 0.242 312 I C 2.220 178.402 176.117 0.108 0.000 1.088 312 I CA 1.418 62.784 61.300 0.109 0.000 1.357 312 I CB -1.232 36.839 38.000 0.117 0.000 1.051 312 I HN 0.204 nan 8.210 nan 0.000 0.409 313 D N 0.613 121.066 120.400 0.088 0.000 2.104 313 D HA -0.230 4.410 4.640 -0.000 0.000 0.194 313 D C 2.100 178.442 176.300 0.070 0.000 0.994 313 D CA 1.286 55.324 54.000 0.064 0.000 0.830 313 D CB -0.218 40.608 40.800 0.044 0.000 0.959 313 D HN 0.473 nan 8.370 nan 0.000 0.452 314 E N -0.022 120.236 120.200 0.098 0.000 2.051 314 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 314 E C 1.802 178.429 176.600 0.044 0.000 0.991 314 E CA 1.067 57.508 56.400 0.069 0.000 0.799 314 E CB -0.019 29.730 29.700 0.083 0.000 0.748 314 E HN 0.348 nan 8.360 nan 0.000 0.449 315 H N 0.314 119.380 119.070 -0.007 0.000 2.395 315 H HA 0.025 4.581 4.556 -0.000 0.000 0.299 315 H C 2.124 177.432 175.328 -0.034 0.000 1.070 315 H CA 1.268 57.301 56.048 -0.025 0.000 1.356 315 H CB -0.077 29.669 29.762 -0.027 0.000 1.401 315 H HN 0.128 nan 8.280 nan 0.000 0.524 316 L N -0.175 121.104 121.223 0.095 0.000 2.012 316 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 316 L C 2.037 178.915 176.870 0.013 0.000 1.073 316 L CA 1.814 56.675 54.840 0.034 0.000 0.748 316 L CB -0.248 41.830 42.059 0.032 0.000 0.891 316 L HN 0.281 nan 8.230 nan 0.000 0.431 317 D N -0.695 119.711 120.400 0.009 0.000 2.149 317 D HA -0.219 4.421 4.640 -0.000 0.000 0.201 317 D C 2.284 178.564 176.300 -0.033 0.000 0.972 317 D CA 0.799 54.795 54.000 -0.008 0.000 0.835 317 D CB 0.089 40.885 40.800 -0.008 0.000 0.966 317 D HN 0.142 nan 8.370 nan 0.000 0.476 318 M N -0.224 119.338 119.600 -0.063 0.000 2.108 318 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 318 M C 1.855 178.114 176.300 -0.067 0.000 1.066 318 M CA 1.189 56.428 55.300 -0.102 0.000 1.107 318 M CB -0.047 32.434 32.600 -0.199 0.000 1.356 318 M HN 0.180 nan 8.290 nan 0.000 0.406 319 L N 0.684 121.884 121.223 -0.038 0.000 2.093 319 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 319 L C 2.204 179.114 176.870 0.067 0.000 1.085 319 L CA 1.582 56.433 54.840 0.018 0.000 0.755 319 L CB -0.456 41.592 42.059 -0.017 0.000 0.904 319 L HN 0.334 nan 8.230 nan 0.000 0.435 320 M N -1.578 118.042 119.600 0.033 0.000 2.117 320 M HA -0.156 4.324 4.480 -0.000 0.000 0.262 320 M C 2.273 178.567 176.300 -0.010 0.000 1.065 320 M CA 1.476 56.802 55.300 0.044 0.000 1.114 320 M CB -1.227 31.390 32.600 0.027 0.000 1.361 320 M HN 0.147 nan 8.290 nan 0.000 0.408 321 V N 0.581 120.460 119.914 -0.059 0.000 2.270 321 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 321 V C 2.747 178.677 176.094 -0.274 0.000 1.043 321 V CA 1.977 64.191 62.300 -0.144 0.000 1.014 321 V CB -0.808 30.948 31.823 -0.111 0.000 0.645 321 V HN 0.728 nan 8.190 nan 0.000 0.447 322 C N -1.217 117.985 119.300 -0.163 0.000 2.464 322 C HA -0.022 4.438 4.460 -0.000 0.000 0.278 322 C C 2.312 177.217 174.990 -0.142 0.000 1.375 322 C CA 0.442 59.356 59.018 -0.173 0.000 1.761 322 C CB -1.409 26.281 27.740 -0.082 0.000 1.944 322 C HN 0.651 nan 8.230 nan 0.000 0.509 323 H N 0.281 119.300 119.070 -0.085 0.000 2.519 323 H HA 0.121 4.677 4.556 -0.000 0.000 0.289 323 H C 0.083 175.459 175.328 0.081 0.000 1.040 323 H CA 0.201 56.276 56.048 0.045 0.000 1.165 323 H CB -0.596 29.267 29.762 0.169 0.000 1.462 323 H HN 0.643 nan 8.280 nan 0.000 0.555 324 H N -0.195 118.914 119.070 0.065 0.000 2.527 324 H HA -0.191 4.364 4.556 -0.000 0.000 0.321 324 H C 0.018 175.385 175.328 0.064 0.000 1.092 324 H CA 0.523 56.594 56.048 0.037 0.000 1.118 324 H CB -1.825 27.926 29.762 -0.017 0.000 1.536 324 H HN 0.396 nan 8.280 nan 0.000 0.407 325 L N 0.974 122.291 121.223 0.157 0.000 2.375 325 L HA 0.311 4.650 4.340 -0.000 0.000 0.271 325 L C 0.796 177.725 176.870 0.098 0.000 1.107 325 L CA -0.363 54.563 54.840 0.143 0.000 0.806 325 L CB 0.940 43.102 42.059 0.173 0.000 1.146 325 L HN -0.038 nan 8.230 nan 0.000 0.447 326 K N 2.467 122.917 120.400 0.083 0.000 2.274 326 K HA 0.229 4.548 4.320 -0.000 0.000 0.262 326 K C 0.258 176.892 176.600 0.056 0.000 0.961 326 K CA -0.671 55.653 56.287 0.061 0.000 0.833 326 K CB 2.185 34.715 32.500 0.049 0.000 1.102 326 K HN 0.488 nan 8.250 nan 0.000 0.436 327 Q N 1.179 121.007 119.800 0.047 0.000 2.437 327 Q HA -0.129 4.211 4.340 -0.000 0.000 0.210 327 Q C 0.878 176.901 176.000 0.037 0.000 0.972 327 Q CA 1.105 56.934 55.803 0.042 0.000 0.903 327 Q CB 0.143 28.901 28.738 0.033 0.000 0.967 327 Q HN 0.565 nan 8.270 nan 0.000 0.486 328 N N -0.228 118.493 118.700 0.034 0.000 2.270 328 N HA 0.017 4.757 4.740 -0.000 0.000 0.198 328 N C -0.004 175.524 175.510 0.029 0.000 1.117 328 N CA 0.056 53.123 53.050 0.028 0.000 0.845 328 N CB 0.125 38.626 38.487 0.023 0.000 0.980 328 N HN 0.100 nan 8.380 nan 0.000 0.486 329 I N 1.148 121.740 120.570 0.037 0.000 2.390 329 I HA 0.280 4.449 4.170 -0.000 0.000 0.283 329 I C -1.630 174.515 176.117 0.046 0.000 1.016 329 I CA -2.365 58.957 61.300 0.037 0.000 1.151 329 I CB 2.194 40.215 38.000 0.036 0.000 1.293 329 I HN -0.245 nan 8.210 nan 0.000 0.458 330 P HA -0.190 nan 4.420 nan 0.000 0.216 330 P C 1.042 178.379 177.300 0.062 0.000 1.150 330 P CA 1.380 64.508 63.100 0.047 0.000 0.843 330 P CB 0.325 32.048 31.700 0.038 0.000 0.787 331 E N -0.739 119.496 120.200 0.059 0.000 2.153 331 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 331 E C 1.643 178.311 176.600 0.113 0.000 0.988 331 E CA 1.223 57.667 56.400 0.073 0.000 0.811 331 E CB -0.750 28.976 29.700 0.044 0.000 0.746 331 E HN 0.299 nan 8.360 nan 0.000 0.466 332 D N -0.561 119.901 120.400 0.103 0.000 2.149 332 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 332 D C 2.033 178.446 176.300 0.188 0.000 0.972 332 D CA 1.086 55.182 54.000 0.159 0.000 0.835 332 D CB -0.237 40.633 40.800 0.116 0.000 0.966 332 D HN 0.207 nan 8.370 nan 0.000 0.476 333 V N 0.046 120.031 119.914 0.119 0.000 2.548 333 V HA -0.020 4.100 4.120 -0.000 0.000 0.249 333 V C 2.031 178.178 176.094 0.089 0.000 1.055 333 V CA 1.800 64.154 62.300 0.091 0.000 1.065 333 V CB -0.405 31.455 31.823 0.061 0.000 0.681 333 V HN 0.101 nan 8.190 nan 0.000 0.462 334 A N 0.126 123.010 122.820 0.107 0.000 1.898 334 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 334 A C 2.107 179.766 177.584 0.126 0.000 1.181 334 A CA 1.848 53.948 52.037 0.104 0.000 0.620 334 A CB -0.969 18.093 19.000 0.104 0.000 0.819 334 A HN 0.794 nan 8.150 nan 0.000 0.442 335 F N 1.361 121.320 119.950 0.015 0.000 2.069 335 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 335 F C 2.449 178.234 175.800 -0.025 0.000 1.113 335 F CA 1.452 59.446 58.000 -0.010 0.000 1.214 335 F CB -0.681 38.297 39.000 -0.035 0.000 0.978 335 F HN 0.241 nan 8.300 nan 0.000 0.474 336 A N 0.152 122.860 122.820 -0.186 0.000 1.877 336 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 336 A C 1.964 179.428 177.584 -0.201 0.000 1.186 336 A CA 1.967 53.823 52.037 -0.302 0.000 0.620 336 A CB -1.129 17.827 19.000 -0.073 0.000 0.822 336 A HN 0.496 nan 8.150 nan 0.000 0.443 337 D N -0.103 120.256 120.400 -0.068 0.000 2.218 337 D HA -0.107 4.533 4.640 -0.000 0.000 0.204 337 D C 2.302 178.623 176.300 0.035 0.000 0.976 337 D CA 1.585 55.585 54.000 -0.000 0.000 0.853 337 D CB -0.216 40.609 40.800 0.041 0.000 0.939 337 D HN 0.606 nan 8.370 nan 0.000 0.481 338 S N -0.359 115.324 115.700 -0.028 0.000 2.470 338 S HA -0.029 4.441 4.470 -0.000 0.000 0.225 338 S C 1.860 176.319 174.600 -0.235 0.000 1.006 338 S CA 0.252 58.429 58.200 -0.038 0.000 0.934 338 S CB 0.340 63.546 63.200 0.009 0.000 0.778 338 S HN 0.131 nan 8.310 nan 0.000 0.517 339 R N -0.012 120.300 120.500 -0.313 0.000 2.167 339 R HA 0.344 4.683 4.340 -0.000 0.000 0.201 339 R C -0.204 175.939 176.300 -0.261 0.000 1.024 339 R CA 0.276 56.160 56.100 -0.360 0.000 1.053 339 R CB 0.252 30.191 30.300 -0.602 0.000 0.987 339 R HN 0.310 nan 8.270 nan 0.000 0.493 340 I N 3.124 123.573 120.570 -0.201 0.000 2.307 340 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 340 I C -0.807 175.260 176.117 -0.083 0.000 1.054 340 I CA -0.219 61.005 61.300 -0.125 0.000 1.218 340 I CB 1.115 39.074 38.000 -0.069 0.000 1.398 340 I HN 0.173 nan 8.210 nan 0.000 0.475 341 R N 7.688 128.121 120.500 -0.111 0.000 2.476 341 R HA 0.364 4.704 4.340 -0.000 0.000 0.305 341 R C -1.807 174.416 176.300 -0.129 0.000 0.965 341 R CA -1.378 54.688 56.100 -0.057 0.000 0.867 341 R CB 2.248 32.491 30.300 -0.094 0.000 1.176 341 R HN 0.229 nan 8.270 nan 0.000 0.447 342 P HA -0.134 nan 4.420 nan 0.000 0.218 342 P C 0.229 177.338 177.300 -0.318 0.000 1.149 342 P CA 1.191 64.135 63.100 -0.260 0.000 0.817 342 P CB 0.515 32.203 31.700 -0.021 0.000 0.785 343 E N -0.035 120.095 120.200 -0.116 0.000 2.077 343 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 343 E C 2.133 178.658 176.600 -0.125 0.000 0.989 343 E CA 2.238 58.593 56.400 -0.076 0.000 0.800 343 E CB -1.336 28.390 29.700 0.043 0.000 0.746 343 E HN 0.416 nan 8.360 nan 0.000 0.452 344 T N -1.537 112.934 114.554 -0.139 0.000 2.978 344 T HA 0.064 4.414 4.350 -0.000 0.000 0.262 344 T C 1.995 176.582 174.700 -0.188 0.000 1.063 344 T CA 0.383 62.399 62.100 -0.139 0.000 1.140 344 T CB -0.244 68.545 68.868 -0.132 0.000 0.886 344 T HN 0.027 nan 8.240 nan 0.000 0.470 345 I N 1.844 122.232 120.570 -0.302 0.000 2.252 345 I HA -0.019 4.150 4.170 -0.000 0.000 0.245 345 I C 3.160 179.023 176.117 -0.423 0.000 1.102 345 I CA 1.057 62.136 61.300 -0.368 0.000 1.385 345 I CB -0.491 37.213 38.000 -0.493 0.000 1.064 345 I HN 0.322 nan 8.210 nan 0.000 0.414 346 A N 0.764 123.207 122.820 -0.628 0.000 1.902 346 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 346 A C 2.522 180.055 177.584 -0.084 0.000 1.181 346 A CA 1.818 53.653 52.037 -0.336 0.000 0.623 346 A CB -0.799 18.044 19.000 -0.261 0.000 0.818 346 A HN 0.419 nan 8.150 nan 0.000 0.443 347 A N -0.451 122.311 122.820 -0.096 0.000 1.969 347 A HA -0.146 4.173 4.320 -0.000 0.000 0.218 347 A C 1.995 179.573 177.584 -0.010 0.000 1.169 347 A CA 1.662 53.679 52.037 -0.033 0.000 0.635 347 A CB -0.499 18.477 19.000 -0.039 0.000 0.810 347 A HN 0.686 nan 8.150 nan 0.000 0.445 348 E N 0.012 120.198 120.200 -0.023 0.000 2.118 348 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 348 E C 1.195 177.874 176.600 0.131 0.000 0.992 348 E CA 1.449 57.868 56.400 0.032 0.000 0.804 348 E CB -0.160 29.557 29.700 0.029 0.000 0.741 348 E HN 0.528 nan 8.360 nan 0.000 0.458 349 D N 0.476 120.952 120.400 0.127 0.000 2.104 349 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 349 D C 2.015 178.426 176.300 0.185 0.000 0.994 349 D CA 1.269 55.379 54.000 0.182 0.000 0.830 349 D CB -0.245 40.654 40.800 0.166 0.000 0.959 349 D HN 0.332 nan 8.370 nan 0.000 0.452 350 I N 0.342 120.985 120.570 0.121 0.000 2.315 350 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 350 I C 2.303 178.464 176.117 0.074 0.000 1.117 350 I CA 0.495 61.857 61.300 0.103 0.000 1.404 350 I CB -0.129 37.914 38.000 0.072 0.000 1.071 350 I HN -0.024 nan 8.210 nan 0.000 0.419 351 L N -0.256 120.983 121.223 0.026 0.000 2.131 351 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 351 L C 2.662 179.466 176.870 -0.110 0.000 1.092 351 L CA 1.073 55.884 54.840 -0.048 0.000 0.759 351 L CB -0.909 41.092 42.059 -0.096 0.000 0.903 351 L HN 0.366 nan 8.230 nan 0.000 0.435 352 H N -0.431 118.628 119.070 -0.019 0.000 2.357 352 H HA -0.173 4.383 4.556 -0.000 0.000 0.301 352 H C 1.752 176.984 175.328 -0.160 0.000 1.082 352 H CA 1.862 57.844 56.048 -0.110 0.000 1.342 352 H CB 0.064 29.780 29.762 -0.076 0.000 1.389 352 H HN 0.311 nan 8.280 nan 0.000 0.511 353 D N 0.335 120.828 120.400 0.155 0.000 2.178 353 D HA -0.076 4.564 4.640 -0.000 0.000 0.202 353 D C 2.135 178.522 176.300 0.146 0.000 0.974 353 D CA 0.377 54.507 54.000 0.216 0.000 0.841 353 D CB -0.064 40.898 40.800 0.269 0.000 0.953 353 D HN 0.237 nan 8.370 nan 0.000 0.478 354 L N -1.211 120.066 121.223 0.090 0.000 2.492 354 L HA 0.196 4.536 4.340 -0.000 0.000 0.223 354 L C 1.463 178.374 176.870 0.067 0.000 1.132 354 L CA 0.505 55.397 54.840 0.087 0.000 0.850 354 L CB -0.042 42.049 42.059 0.053 0.000 0.966 354 L HN 0.225 nan 8.230 nan 0.000 0.454 355 G N 0.186 108.989 108.800 0.004 0.000 2.137 355 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.237 355 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.237 355 G C 0.618 175.492 174.900 -0.044 0.000 1.002 355 G CA 0.320 45.410 45.100 -0.016 0.000 0.702 355 G HN 0.369 nan 8.290 nan 0.000 0.515 356 I N -0.373 120.151 120.570 -0.078 0.000 3.035 356 I HA 0.292 4.462 4.170 -0.000 0.000 0.271 356 I C 1.170 177.202 176.117 -0.142 0.000 1.190 356 I CA 0.514 61.762 61.300 -0.086 0.000 1.472 356 I CB 0.165 38.126 38.000 -0.065 0.000 1.116 356 I HN 0.163 nan 8.210 nan 0.000 0.443 357 I N 0.278 120.687 120.570 -0.267 0.000 2.321 357 I HA 0.136 4.305 4.170 -0.000 0.000 0.291 357 I C 0.869 176.831 176.117 -0.257 0.000 0.998 357 I CA 0.010 61.101 61.300 -0.349 0.000 1.227 357 I CB 1.714 39.303 38.000 -0.686 0.000 1.368 357 I HN -0.082 nan 8.210 nan 0.000 0.466 358 S N 5.578 121.204 115.700 -0.124 0.000 2.486 358 S HA 0.302 4.772 4.470 -0.000 0.000 0.220 358 S C 0.467 175.051 174.600 -0.027 0.000 1.011 358 S CA 0.487 58.640 58.200 -0.078 0.000 0.921 358 S CB 0.138 63.285 63.200 -0.088 0.000 0.785 358 S HN 0.541 nan 8.310 nan 0.000 0.517 359 M N 0.775 120.397 119.600 0.036 0.000 2.593 359 M HA 0.497 4.977 4.480 -0.000 0.000 0.290 359 M C -1.187 175.224 176.300 0.186 0.000 1.244 359 M CA -0.388 54.960 55.300 0.079 0.000 0.857 359 M CB 2.062 34.684 32.600 0.036 0.000 1.738 359 M HN 0.019 nan 8.290 nan 0.000 0.461 360 M N 1.092 120.780 119.600 0.146 0.000 2.724 360 M HA 0.759 5.238 4.480 -0.000 0.000 0.310 360 M C -0.417 175.953 176.300 0.117 0.000 1.217 360 M CA -0.397 54.972 55.300 0.115 0.000 0.894 360 M CB 2.059 34.692 32.600 0.055 0.000 1.719 360 M HN 0.890 nan 8.290 nan 0.000 0.479 361 S N -0.933 114.806 115.700 0.066 0.000 2.636 361 S HA 0.528 4.998 4.470 -0.000 0.000 0.266 361 S C 0.158 174.735 174.600 -0.038 0.000 1.147 361 S CA 0.005 58.229 58.200 0.040 0.000 0.815 361 S CB 1.238 64.468 63.200 0.050 0.000 1.119 361 S HN 0.765 nan 8.310 nan 0.000 0.470 362 T N -2.496 112.017 114.554 -0.069 0.000 2.988 362 T HA 0.253 4.603 4.350 -0.000 0.000 0.240 362 T C 0.431 175.001 174.700 -0.217 0.000 1.014 362 T CA 1.230 63.264 62.100 -0.110 0.000 1.155 362 T CB -0.773 68.049 68.868 -0.075 0.000 0.872 362 T HN 0.964 nan 8.240 nan 0.000 0.440 363 D N 1.476 121.670 120.400 -0.344 0.000 2.947 363 D HA -0.114 4.526 4.640 -0.000 0.000 0.224 363 D C 0.176 176.404 176.300 -0.121 0.000 1.132 363 D CA 0.724 54.465 54.000 -0.433 0.000 0.801 363 D CB -1.672 38.808 40.800 -0.534 0.000 1.097 363 D HN 0.944 nan 8.370 nan 0.000 0.431 364 A N 0.411 123.204 122.820 -0.045 0.000 2.572 364 A HA 0.250 4.569 4.320 -0.000 0.000 0.256 364 A C 1.902 179.451 177.584 -0.057 0.000 1.041 364 A CA 1.186 53.193 52.037 -0.049 0.000 0.790 364 A CB -0.216 18.756 19.000 -0.046 0.000 0.947 364 A HN 0.965 nan 8.150 nan 0.000 0.518 365 L N -0.461 120.703 121.223 -0.098 0.000 5.051 365 L HA -0.386 3.954 4.340 -0.000 0.000 0.432 365 L C 1.702 178.456 176.870 -0.194 0.000 1.055 365 L CA 1.127 55.901 54.840 -0.109 0.000 1.095 365 L CB -1.789 40.239 42.059 -0.052 0.000 1.957 365 L HN 0.906 nan 8.230 nan 0.000 0.727 366 A N -1.058 121.560 122.820 -0.338 0.000 1.984 366 A HA 0.428 4.748 4.320 -0.000 0.000 0.203 366 A C 1.261 178.701 177.584 -0.240 0.000 1.292 366 A CA 1.024 52.795 52.037 -0.443 0.000 0.782 366 A CB 0.461 18.782 19.000 -1.133 0.000 0.924 366 A HN 0.345 nan 8.150 nan 0.000 0.475 367 M N -0.597 118.877 119.600 -0.210 0.000 5.177 367 M HA 0.397 4.877 4.480 -0.000 0.000 0.606 367 M C -0.593 175.616 176.300 -0.152 0.000 2.347 367 M CA 0.250 55.459 55.300 -0.153 0.000 0.353 367 M CB 0.929 33.464 32.600 -0.109 0.000 1.530 367 M HN 0.522 nan 8.290 nan 0.000 0.654 368 G N 1.004 109.714 108.800 -0.150 0.000 2.387 368 G HA2 0.479 4.438 3.960 -0.000 0.000 0.294 368 G HA3 0.479 4.438 3.960 -0.000 0.000 0.294 368 G C -1.989 172.844 174.900 -0.111 0.000 1.509 368 G CA -0.997 44.025 45.100 -0.130 0.000 0.806 368 G HN 0.330 nan 8.290 nan 0.000 0.546 369 R N 0.706 121.150 120.500 -0.094 0.000 2.265 369 R HA 0.544 4.884 4.340 -0.000 0.000 0.328 369 R C 1.235 177.492 176.300 -0.072 0.000 0.969 369 R CA -0.011 56.039 56.100 -0.083 0.000 0.832 369 R CB 1.777 32.026 30.300 -0.084 0.000 1.139 369 R HN 0.664 nan 8.270 nan 0.000 0.457 370 A N 2.765 125.547 122.820 -0.063 0.000 1.978 370 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 370 A C 1.581 179.137 177.584 -0.046 0.000 1.170 370 A CA 1.879 53.884 52.037 -0.053 0.000 0.636 370 A CB -0.181 18.792 19.000 -0.045 0.000 0.810 370 A HN 0.815 nan 8.150 nan 0.000 0.448 371 G N -1.453 107.320 108.800 -0.045 0.000 3.605 371 G HA2 0.392 4.352 3.960 -0.000 0.000 0.277 371 G HA3 0.392 4.352 3.960 -0.000 0.000 0.277 371 G C 0.449 175.333 174.900 -0.027 0.000 1.093 371 G CA 0.124 45.206 45.100 -0.030 0.000 0.821 371 G HN 0.544 nan 8.290 nan 0.000 0.532 372 E N -0.313 119.857 120.200 -0.051 0.000 2.714 372 E HA 0.166 4.516 4.350 -0.000 0.000 0.219 372 E C 1.678 178.229 176.600 -0.082 0.000 0.979 372 E CA -0.341 56.023 56.400 -0.059 0.000 1.092 372 E CB 0.503 30.159 29.700 -0.074 0.000 1.049 372 E HN 0.391 nan 8.360 nan 0.000 0.487 373 M N 0.654 120.197 119.600 -0.095 0.000 2.067 373 M HA -0.152 4.328 4.480 -0.000 0.000 0.260 373 M C 1.870 178.019 176.300 -0.251 0.000 1.069 373 M CA 1.665 56.887 55.300 -0.130 0.000 1.117 373 M CB 0.120 32.665 32.600 -0.092 0.000 1.334 373 M HN 0.017 nan 8.290 nan 0.000 0.407 374 V N 0.795 120.501 119.914 -0.345 0.000 2.307 374 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 374 V C 2.386 178.339 176.094 -0.236 0.000 1.045 374 V CA 1.603 63.559 62.300 -0.573 0.000 1.024 374 V CB -0.959 30.572 31.823 -0.487 0.000 0.651 374 V HN 0.557 nan 8.190 nan 0.000 0.449 375 L N 0.373 121.526 121.223 -0.118 0.000 1.971 375 L HA -0.232 4.108 4.340 -0.000 0.000 0.215 375 L C 2.600 179.461 176.870 -0.016 0.000 1.072 375 L CA 2.149 56.972 54.840 -0.027 0.000 0.758 375 L CB -0.515 41.548 42.059 0.008 0.000 0.889 375 L HN 0.175 nan 8.230 nan 0.000 0.433 376 R N -1.755 118.706 120.500 -0.064 0.000 2.193 376 R HA -0.048 4.292 4.340 -0.000 0.000 0.213 376 R C 2.001 178.239 176.300 -0.104 0.000 1.055 376 R CA 1.253 57.318 56.100 -0.059 0.000 0.995 376 R CB -0.402 29.865 30.300 -0.056 0.000 0.893 376 R HN 0.430 nan 8.270 nan 0.000 0.459 377 T N -0.150 114.288 114.554 -0.192 0.000 2.708 377 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 377 T C 1.206 175.678 174.700 -0.380 0.000 1.037 377 T CA 1.419 63.347 62.100 -0.288 0.000 1.146 377 T CB -0.218 68.423 68.868 -0.377 0.000 0.865 377 T HN 0.432 nan 8.240 nan 0.000 0.435 378 W N 1.555 122.837 121.300 -0.029 0.000 2.436 378 W HA 0.018 4.678 4.660 -0.000 0.000 0.284 378 W C 2.681 179.134 176.519 -0.110 0.000 1.225 378 W CA 0.119 57.417 57.345 -0.078 0.000 1.271 378 W CB -0.350 29.081 29.460 -0.049 0.000 1.114 378 W HN 0.304 nan 8.180 nan 0.000 0.559 379 Q N -0.262 119.590 119.800 0.086 0.000 2.084 379 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 379 Q C 2.032 178.029 176.000 -0.005 0.000 0.978 379 Q CA 2.233 58.060 55.803 0.040 0.000 0.844 379 Q CB -0.645 28.115 28.738 0.037 0.000 0.898 379 Q HN 0.211 nan 8.270 nan 0.000 0.426 380 T N 0.803 115.334 114.554 -0.038 0.000 2.708 380 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 380 T C 1.930 176.559 174.700 -0.117 0.000 1.037 380 T CA 1.253 63.343 62.100 -0.016 0.000 1.146 380 T CB -0.345 68.547 68.868 0.040 0.000 0.865 380 T HN 0.409 nan 8.240 nan 0.000 0.435 381 A N 1.479 124.030 122.820 -0.447 0.000 1.933 381 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 381 A C 2.065 179.501 177.584 -0.246 0.000 1.175 381 A CA 2.184 53.746 52.037 -0.792 0.000 0.628 381 A CB -0.863 17.446 19.000 -1.151 0.000 0.814 381 A HN 0.589 nan 8.150 nan 0.000 0.444 382 D N -0.763 119.577 120.400 -0.100 0.000 2.117 382 D HA -0.176 4.463 4.640 -0.000 0.000 0.198 382 D C 1.974 178.274 176.300 0.000 0.000 0.982 382 D CA 1.596 55.585 54.000 -0.019 0.000 0.828 382 D CB -0.101 40.706 40.800 0.012 0.000 0.967 382 D HN 0.477 nan 8.370 nan 0.000 0.464 383 K N -0.576 119.827 120.400 0.004 0.000 2.097 383 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 383 K C 1.943 178.570 176.600 0.046 0.000 1.050 383 K CA 0.942 57.247 56.287 0.029 0.000 0.938 383 K CB 0.017 32.542 32.500 0.041 0.000 0.718 383 K HN 0.158 nan 8.250 nan 0.000 0.442 384 M N 1.084 120.713 119.600 0.049 0.000 2.175 384 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 384 M C 2.130 178.474 176.300 0.073 0.000 1.063 384 M CA 1.427 56.777 55.300 0.084 0.000 1.119 384 M CB -0.699 31.985 32.600 0.140 0.000 1.377 384 M HN 0.157 nan 8.290 nan 0.000 0.415 385 K N 0.833 121.262 120.400 0.049 0.000 2.009 385 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 385 K C 1.999 178.635 176.600 0.060 0.000 1.049 385 K CA 1.520 57.843 56.287 0.061 0.000 0.929 385 K CB 0.056 32.591 32.500 0.058 0.000 0.714 385 K HN 0.200 nan 8.250 nan 0.000 0.440 386 K N 0.240 120.671 120.400 0.050 0.000 2.032 386 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 386 K C 2.358 178.986 176.600 0.047 0.000 1.048 386 K CA 2.067 58.382 56.287 0.047 0.000 0.927 386 K CB -0.067 32.456 32.500 0.038 0.000 0.712 386 K HN 0.342 nan 8.250 nan 0.000 0.441 387 Q N -0.387 119.445 119.800 0.052 0.000 2.269 387 Q HA -0.001 4.339 4.340 -0.000 0.000 0.201 387 Q C 1.636 177.671 176.000 0.057 0.000 0.946 387 Q CA 0.776 56.611 55.803 0.054 0.000 0.877 387 Q CB 0.356 29.132 28.738 0.062 0.000 0.963 387 Q HN 0.220 nan 8.270 nan 0.000 0.472 388 R N -0.570 119.970 120.500 0.065 0.000 2.373 388 R HA 0.242 4.582 4.340 -0.000 0.000 0.221 388 R C 0.317 176.654 176.300 0.061 0.000 0.893 388 R CA 0.427 56.567 56.100 0.067 0.000 1.049 388 R CB 1.365 31.716 30.300 0.084 0.000 1.119 388 R HN 0.169 nan 8.270 nan 0.000 0.535 389 G N 2.454 111.290 108.800 0.061 0.000 2.758 389 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.686 389 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.686 389 G C -2.712 172.230 174.900 0.069 0.000 1.389 389 G CA -1.266 43.868 45.100 0.057 0.000 0.845 389 G HN -0.079 nan 8.290 nan 0.000 0.572 390 P HA 0.262 nan 4.420 nan 0.000 0.264 390 P C 0.872 178.214 177.300 0.071 0.000 1.179 390 P CA -0.075 63.072 63.100 0.078 0.000 0.763 390 P CB 0.296 32.035 31.700 0.064 0.000 0.806 391 L N 1.726 123.006 121.223 0.095 0.000 2.479 391 L HA 0.086 4.425 4.340 -0.000 0.000 0.270 391 L C 1.915 178.770 176.870 -0.025 0.000 1.236 391 L CA -0.052 54.823 54.840 0.059 0.000 0.823 391 L CB -0.114 42.015 42.059 0.118 0.000 1.098 391 L HN 0.410 nan 8.230 nan 0.000 0.500 392 A N 0.827 123.606 122.820 -0.069 0.000 2.067 392 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 392 A C 1.805 179.305 177.584 -0.141 0.000 1.158 392 A CA 1.130 53.118 52.037 -0.081 0.000 0.661 392 A CB -0.432 18.525 19.000 -0.071 0.000 0.801 392 A HN 0.883 nan 8.150 nan 0.000 0.452 393 E N 0.859 120.876 120.200 -0.305 0.000 2.481 393 E HA 0.014 4.364 4.350 -0.000 0.000 0.195 393 E C 0.162 176.630 176.600 -0.220 0.000 1.047 393 E CA 0.106 56.254 56.400 -0.420 0.000 0.867 393 E CB 0.069 29.276 29.700 -0.821 0.000 0.858 393 E HN 0.517 nan 8.360 nan 0.000 0.513 394 E N 1.738 121.882 120.200 -0.094 0.000 2.422 394 E HA 0.109 4.459 4.350 -0.000 0.000 0.260 394 E C 0.006 176.613 176.600 0.012 0.000 1.108 394 E CA 0.288 56.699 56.400 0.020 0.000 0.943 394 E CB 0.569 30.300 29.700 0.051 0.000 0.961 394 E HN 0.127 nan 8.360 nan 0.000 0.443 395 K N -0.184 120.237 120.400 0.035 0.000 2.532 395 K HA 0.306 4.626 4.320 -0.000 0.000 0.265 395 K C -0.067 176.545 176.600 0.021 0.000 0.948 395 K CA -0.841 55.460 56.287 0.023 0.000 0.842 395 K CB 1.117 33.637 32.500 0.033 0.000 1.392 395 K HN 0.362 nan 8.250 nan 0.000 0.436 396 N N 0.996 119.700 118.700 0.007 0.000 2.710 396 N HA -0.275 4.465 4.740 -0.000 0.000 0.249 396 N C 0.561 176.063 175.510 -0.013 0.000 1.059 396 N CA 1.630 54.678 53.050 -0.004 0.000 0.720 396 N CB -1.144 37.345 38.487 0.003 0.000 0.983 396 N HN 1.409 nan 8.380 nan 0.000 0.544 397 G N -1.499 107.293 108.800 -0.012 0.000 2.168 397 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.263 397 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.263 397 G C 0.115 175.010 174.900 -0.009 0.000 0.977 397 G CA 1.351 46.434 45.100 -0.028 0.000 0.659 397 G HN 1.570 nan 8.290 nan 0.000 0.533 398 S N -1.033 114.685 115.700 0.030 0.000 2.713 398 S HA 0.653 5.123 4.470 -0.000 0.000 0.283 398 S C 0.203 174.867 174.600 0.107 0.000 1.161 398 S CA -0.058 58.187 58.200 0.075 0.000 0.999 398 S CB 1.883 65.127 63.200 0.072 0.000 1.039 398 S HN 0.030 nan 8.310 nan 0.000 0.548 399 D N 0.700 121.181 120.400 0.135 0.000 2.525 399 D HA 0.199 4.839 4.640 -0.000 0.000 0.229 399 D C 0.268 176.636 176.300 0.113 0.000 1.202 399 D CA -0.067 54.014 54.000 0.134 0.000 0.828 399 D CB -0.186 40.696 40.800 0.137 0.000 1.008 399 D HN 0.424 nan 8.370 nan 0.000 0.493 400 N N 0.469 119.225 118.700 0.094 0.000 2.149 400 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 400 N C 1.359 176.870 175.510 0.002 0.000 1.019 400 N CA 0.621 53.699 53.050 0.047 0.000 0.857 400 N CB -0.287 38.232 38.487 0.054 0.000 0.997 400 N HN 0.252 nan 8.380 nan 0.000 0.426 401 F N 1.474 121.378 119.950 -0.075 0.000 2.113 401 F HA -0.014 4.513 4.527 -0.000 0.000 0.297 401 F C 2.472 178.189 175.800 -0.137 0.000 1.103 401 F CA 1.142 59.039 58.000 -0.171 0.000 1.248 401 F CB -0.102 38.876 39.000 -0.036 0.000 0.999 401 F HN -0.114 nan 8.300 nan 0.000 0.475 402 R N 0.440 121.059 120.500 0.198 0.000 2.091 402 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 402 R C 2.242 178.640 176.300 0.164 0.000 1.136 402 R CA 1.880 58.106 56.100 0.211 0.000 0.959 402 R CB -0.440 30.003 30.300 0.240 0.000 0.856 402 R HN 0.403 nan 8.270 nan 0.000 0.437 403 L N 0.290 121.589 121.223 0.126 0.000 2.083 403 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 403 L C 2.350 179.284 176.870 0.106 0.000 1.083 403 L CA 1.502 56.501 54.840 0.264 0.000 0.752 403 L CB -0.438 41.704 42.059 0.139 0.000 0.899 403 L HN 0.183 nan 8.230 nan 0.000 0.433 404 K N 0.033 120.279 120.400 -0.256 0.000 2.103 404 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 404 K C 2.242 178.486 176.600 -0.593 0.000 1.052 404 K CA 0.939 56.905 56.287 -0.535 0.000 0.945 404 K CB -0.118 31.727 32.500 -1.092 0.000 0.722 404 K HN 0.163 nan 8.250 nan 0.000 0.443 405 R N 0.173 120.304 120.500 -0.615 0.000 2.091 405 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 405 R C 1.757 177.933 176.300 -0.205 0.000 1.136 405 R CA 1.664 57.563 56.100 -0.335 0.000 0.959 405 R CB -0.201 29.929 30.300 -0.283 0.000 0.856 405 R HN 0.197 nan 8.270 nan 0.000 0.437 406 Y N -0.891 119.273 120.300 -0.228 0.000 2.314 406 Y HA -0.056 4.494 4.550 -0.000 0.000 0.294 406 Y C 2.166 177.825 175.900 -0.401 0.000 1.119 406 Y CA 0.923 58.821 58.100 -0.336 0.000 1.179 406 Y CB -0.144 37.988 38.460 -0.548 0.000 1.025 406 Y HN -0.077 nan 8.280 nan 0.000 0.541 407 V N -0.972 118.882 119.914 -0.099 0.000 2.490 407 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 407 V C 2.017 177.893 176.094 -0.364 0.000 1.061 407 V CA 2.296 64.478 62.300 -0.196 0.000 1.064 407 V CB -0.478 31.442 31.823 0.163 0.000 0.670 407 V HN 0.397 nan 8.190 nan 0.000 0.461 408 S N -0.362 115.254 115.700 -0.139 0.000 2.399 408 S HA -0.179 4.290 4.470 -0.000 0.000 0.231 408 S C 1.797 176.318 174.600 -0.131 0.000 1.022 408 S CA 1.433 59.593 58.200 -0.067 0.000 0.983 408 S CB -0.254 62.991 63.200 0.074 0.000 0.803 408 S HN 0.659 nan 8.310 nan 0.000 0.480 409 K N 0.580 120.891 120.400 -0.149 0.000 2.209 409 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 409 K C 1.392 178.009 176.600 0.028 0.000 1.048 409 K CA 1.341 57.594 56.287 -0.057 0.000 0.940 409 K CB -0.172 32.302 32.500 -0.043 0.000 0.729 409 K HN 0.768 nan 8.250 nan 0.000 0.451 410 Y N -1.718 118.588 120.300 0.010 0.000 2.557 410 Y HA 0.272 4.821 4.550 -0.000 0.000 0.247 410 Y C 1.271 177.220 175.900 0.082 0.000 1.164 410 Y CA -0.149 57.975 58.100 0.040 0.000 1.218 410 Y CB -0.238 38.242 38.460 0.033 0.000 1.210 410 Y HN -0.062 nan 8.280 nan 0.000 0.529 411 T N -2.502 111.995 114.554 -0.096 0.000 3.479 411 T HA 0.125 4.475 4.350 -0.000 0.000 0.197 411 T C 1.330 176.034 174.700 0.007 0.000 0.912 411 T CA 0.665 62.768 62.100 0.006 0.000 1.281 411 T CB -0.773 68.086 68.868 -0.015 0.000 1.588 411 T HN 0.098 nan 8.240 nan 0.000 0.389 412 I N 2.830 123.384 120.570 -0.027 0.000 2.439 412 I HA 0.074 4.244 4.170 -0.000 0.000 0.251 412 I C 1.806 177.841 176.117 -0.135 0.000 1.139 412 I CA 1.068 62.315 61.300 -0.088 0.000 1.438 412 I CB -0.770 37.079 38.000 -0.252 0.000 1.085 412 I HN 0.223 nan 8.210 nan 0.000 0.427 413 N N 1.062 119.686 118.700 -0.127 0.000 2.106 413 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 413 N C -0.817 174.615 175.510 -0.129 0.000 1.029 413 N CA 1.694 54.664 53.050 -0.133 0.000 0.848 413 N CB -1.949 36.469 38.487 -0.115 0.000 1.007 413 N HN 0.304 nan 8.380 nan 0.000 0.423 414 P HA -0.026 nan 4.420 nan 0.000 0.217 414 P C 1.081 178.298 177.300 -0.139 0.000 1.150 414 P CA 1.454 64.507 63.100 -0.079 0.000 0.832 414 P CB -0.052 31.659 31.700 0.018 0.000 0.787 415 A N -0.679 122.067 122.820 -0.123 0.000 1.933 415 A HA -0.166 4.153 4.320 -0.000 0.000 0.218 415 A C 2.215 179.701 177.584 -0.164 0.000 1.175 415 A CA 1.395 53.333 52.037 -0.164 0.000 0.628 415 A CB -1.608 17.335 19.000 -0.095 0.000 0.814 415 A HN 0.112 nan 8.150 nan 0.000 0.444 416 I N -0.327 120.160 120.570 -0.138 0.000 2.252 416 I HA -0.256 3.913 4.170 -0.000 0.000 0.245 416 I C 2.968 179.001 176.117 -0.139 0.000 1.102 416 I CA 1.004 62.231 61.300 -0.122 0.000 1.385 416 I CB -0.328 37.593 38.000 -0.132 0.000 1.064 416 I HN 0.350 nan 8.210 nan 0.000 0.414 417 A N -0.085 122.631 122.820 -0.175 0.000 1.940 417 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 417 A C 2.211 179.694 177.584 -0.169 0.000 1.176 417 A CA 1.800 53.724 52.037 -0.189 0.000 0.631 417 A CB -0.524 18.297 19.000 -0.299 0.000 0.814 417 A HN 0.396 nan 8.150 nan 0.000 0.446 418 Q N -1.503 118.153 119.800 -0.240 0.000 2.432 418 Q HA 0.262 4.601 4.340 -0.000 0.000 0.205 418 Q C 1.001 176.840 176.000 -0.269 0.000 0.945 418 Q CA 0.965 56.553 55.803 -0.359 0.000 0.924 418 Q CB -0.058 28.226 28.738 -0.756 0.000 1.016 418 Q HN 0.998 nan 8.270 nan 0.000 0.503 419 G N 0.941 109.643 108.800 -0.163 0.000 2.182 419 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.248 419 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.248 419 G C 0.405 175.326 174.900 0.035 0.000 1.042 419 G CA 0.490 45.564 45.100 -0.044 0.000 0.775 419 G HN 0.612 nan 8.290 nan 0.000 0.501 420 I N -3.931 116.571 120.570 -0.114 0.000 4.102 420 I HA 0.697 4.867 4.170 -0.000 0.000 0.325 420 I C 1.614 177.612 176.117 -0.198 0.000 1.471 420 I CA 0.368 61.527 61.300 -0.234 0.000 1.133 420 I CB 0.430 37.966 38.000 -0.773 0.000 1.184 420 I HN 0.143 nan 8.210 nan 0.000 0.451 421 A N 1.799 124.604 122.820 -0.025 0.000 2.168 421 A HA -0.125 4.194 4.320 -0.000 0.000 0.215 421 A C 2.168 179.804 177.584 0.087 0.000 1.152 421 A CA 1.324 53.369 52.037 0.012 0.000 0.716 421 A CB -1.044 17.961 19.000 0.010 0.000 0.794 421 A HN 0.771 nan 8.150 nan 0.000 0.465 422 H N -1.154 117.966 119.070 0.084 0.000 2.495 422 H HA 0.050 4.605 4.556 -0.000 0.000 0.287 422 H C 0.943 176.388 175.328 0.194 0.000 1.033 422 H CA 1.311 57.433 56.048 0.124 0.000 1.307 422 H CB -0.028 29.797 29.762 0.104 0.000 1.401 422 H HN 0.481 nan 8.280 nan 0.000 0.555 423 E N 1.122 121.163 120.200 -0.265 0.000 2.256 423 E HA 0.143 4.493 4.350 -0.000 0.000 0.198 423 E C 1.297 177.982 176.600 0.142 0.000 0.908 423 E CA 0.827 57.228 56.400 0.002 0.000 0.915 423 E CB 0.955 30.658 29.700 0.005 0.000 0.890 423 E HN 0.400 nan 8.360 nan 0.000 0.484 424 V N -4.643 115.332 119.914 0.101 0.000 3.105 424 V HA 0.851 4.970 4.120 -0.000 0.000 0.311 424 V C 0.827 176.986 176.094 0.108 0.000 1.287 424 V CA -0.213 62.180 62.300 0.155 0.000 1.066 424 V CB 1.244 33.192 31.823 0.209 0.000 1.105 424 V HN 0.320 nan 8.190 nan 0.000 0.462 425 G N 0.080 108.959 108.800 0.131 0.000 2.195 425 G HA2 0.048 4.007 3.960 -0.000 0.000 0.224 425 G HA3 0.048 4.007 3.960 -0.000 0.000 0.224 425 G C 0.237 175.237 174.900 0.167 0.000 0.990 425 G CA 0.671 45.840 45.100 0.115 0.000 0.639 425 G HN 2.445 nan 8.290 nan 0.000 0.514 426 S N -1.143 114.677 115.700 0.201 0.000 2.587 426 S HA 0.675 5.145 4.470 -0.000 0.000 0.269 426 S C -0.605 174.111 174.600 0.193 0.000 1.154 426 S CA -0.797 57.553 58.200 0.250 0.000 0.824 426 S CB 1.410 64.862 63.200 0.419 0.000 1.118 426 S HN 0.734 nan 8.310 nan 0.000 0.462 427 I N 1.726 122.396 120.570 0.167 0.000 2.243 427 I HA 0.351 4.520 4.170 -0.000 0.000 0.297 427 I C 0.071 176.262 176.117 0.124 0.000 1.161 427 I CA 0.254 61.630 61.300 0.126 0.000 1.298 427 I CB -0.341 37.715 38.000 0.094 0.000 1.475 427 I HN 0.597 nan 8.210 nan 0.000 0.561 428 E N 4.312 124.591 120.200 0.132 0.000 2.367 428 E HA 0.351 4.700 4.350 -0.000 0.000 0.273 428 E C -0.883 175.789 176.600 0.120 0.000 0.903 428 E CA -0.936 55.536 56.400 0.121 0.000 0.764 428 E CB 2.199 31.983 29.700 0.140 0.000 1.252 428 E HN 0.387 nan 8.360 nan 0.000 0.446 429 E N 0.119 120.376 120.200 0.094 0.000 2.414 429 E HA 0.206 4.556 4.350 -0.000 0.000 0.263 429 E C 0.665 177.341 176.600 0.126 0.000 1.000 429 E CA 0.826 57.282 56.400 0.094 0.000 0.914 429 E CB 0.451 30.185 29.700 0.056 0.000 0.948 429 E HN 0.829 nan 8.360 nan 0.000 0.444 430 G N 2.842 111.738 108.800 0.160 0.000 2.175 430 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 430 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 430 G C 0.044 175.147 174.900 0.339 0.000 0.982 430 G CA -0.054 45.158 45.100 0.187 0.000 0.641 430 G HN 0.412 nan 8.290 nan 0.000 0.527 431 K N -0.448 120.159 120.400 0.346 0.000 2.156 431 K HA 0.610 4.930 4.320 -0.000 0.000 0.250 431 K C -0.230 176.553 176.600 0.304 0.000 0.955 431 K CA -1.103 55.407 56.287 0.372 0.000 0.855 431 K CB 1.385 34.029 32.500 0.240 0.000 1.101 431 K HN -0.007 nan 8.250 nan 0.000 0.434 432 F N 1.637 121.517 119.950 -0.117 0.000 2.602 432 F HA -0.012 4.514 4.527 -0.000 0.000 0.367 432 F C 0.516 176.186 175.800 -0.217 0.000 1.126 432 F CA -0.302 57.370 58.000 -0.545 0.000 1.321 432 F CB 0.441 39.181 39.000 -0.435 0.000 1.094 432 F HN 0.594 nan 8.300 nan 0.000 0.594 433 A N 4.880 127.320 122.820 -0.633 0.000 3.063 433 A HA 0.205 4.525 4.320 -0.000 0.000 0.263 433 A C -0.646 176.718 177.584 -0.367 0.000 1.736 433 A CA -0.478 51.335 52.037 -0.375 0.000 1.408 433 A CB -1.118 17.695 19.000 -0.312 0.000 1.108 433 A HN 0.549 nan 8.150 nan 0.000 0.621 434 D N 1.454 121.749 120.400 -0.174 0.000 2.396 434 D HA 0.534 5.174 4.640 -0.000 0.000 0.225 434 D C -0.482 175.825 176.300 0.011 0.000 1.121 434 D CA 0.464 54.437 54.000 -0.046 0.000 0.853 434 D CB 1.063 41.923 40.800 0.101 0.000 1.043 434 D HN 0.381 nan 8.370 nan 0.000 0.500 435 L N 1.485 122.702 121.223 -0.011 0.000 2.408 435 L HA 0.543 4.883 4.340 -0.000 0.000 0.268 435 L C -0.691 176.173 176.870 -0.009 0.000 0.986 435 L CA -1.111 53.739 54.840 0.017 0.000 0.820 435 L CB 2.566 44.621 42.059 -0.006 0.000 1.303 435 L HN -0.069 nan 8.230 nan 0.000 0.411 436 V N 3.788 123.709 119.914 0.012 0.000 2.409 436 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 436 V C -0.310 175.666 176.094 -0.196 0.000 1.020 436 V CA -0.489 61.717 62.300 -0.156 0.000 0.848 436 V CB 1.784 33.482 31.823 -0.208 0.000 0.990 436 V HN 0.417 nan 8.190 nan 0.000 0.430 437 L N 4.932 126.003 121.223 -0.254 0.000 2.312 437 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 437 L C -0.794 175.919 176.870 -0.262 0.000 1.070 437 L CA 0.252 55.015 54.840 -0.128 0.000 0.805 437 L CB 1.031 43.062 42.059 -0.047 0.000 1.174 437 L HN 0.584 nan 8.230 nan 0.000 0.434 438 W N 1.555 122.925 121.300 0.116 0.000 2.739 438 W HA 0.512 5.172 4.660 -0.000 0.000 0.331 438 W C -0.182 176.429 176.519 0.153 0.000 1.049 438 W CA -0.612 56.822 57.345 0.147 0.000 1.234 438 W CB 0.943 30.554 29.460 0.252 0.000 1.404 438 W HN 0.379 nan 8.180 nan 0.000 0.477 439 E N 3.370 123.813 120.200 0.404 0.000 2.360 439 E HA 0.016 4.366 4.350 -0.000 0.000 0.269 439 E C -1.539 175.240 176.600 0.299 0.000 1.022 439 E CA -1.185 55.405 56.400 0.317 0.000 0.887 439 E CB 1.018 30.940 29.700 0.369 0.000 0.990 439 E HN 0.081 nan 8.360 nan 0.000 0.426 440 P HA -0.257 nan 4.420 nan 0.000 0.216 440 P C 1.113 178.419 177.300 0.009 0.000 1.150 440 P CA 1.634 64.763 63.100 0.047 0.000 0.843 440 P CB 0.103 31.778 31.700 -0.042 0.000 0.787 441 K N -1.545 118.827 120.400 -0.046 0.000 2.283 441 K HA -0.072 4.248 4.320 -0.000 0.000 0.202 441 K C 0.806 177.285 176.600 -0.201 0.000 1.048 441 K CA 1.420 57.596 56.287 -0.185 0.000 0.948 441 K CB -0.712 31.578 32.500 -0.350 0.000 0.742 441 K HN 0.116 nan 8.250 nan 0.000 0.458 442 F N 0.586 120.615 119.950 0.131 0.000 2.654 442 F HA 0.278 4.804 4.527 -0.000 0.000 0.303 442 F C 0.158 175.958 175.800 0.001 0.000 1.099 442 F CA -1.648 56.388 58.000 0.059 0.000 1.270 442 F CB -0.012 39.063 39.000 0.126 0.000 1.024 442 F HN -0.113 nan 8.300 nan 0.000 0.548 443 F N 1.236 121.157 119.950 -0.048 0.000 2.602 443 F HA 0.367 4.894 4.527 -0.000 0.000 0.385 443 F C 1.342 176.757 175.800 -0.641 0.000 1.063 443 F CA 0.927 58.700 58.000 -0.378 0.000 1.233 443 F CB 0.411 39.100 39.000 -0.518 0.000 1.067 443 F HN 0.305 nan 8.300 nan 0.000 0.564 444 G N 3.396 110.873 108.800 -2.204 0.000 2.212 444 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.266 444 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.266 444 G C 0.556 175.171 174.900 -0.475 0.000 0.978 444 G CA 0.451 44.668 45.100 -1.472 0.000 0.632 444 G HN 0.756 nan 8.290 nan 0.000 0.537 445 V N -0.566 119.208 119.914 -0.235 0.000 2.635 445 V HA 0.384 4.504 4.120 -0.000 0.000 0.233 445 V C 1.064 177.237 176.094 0.132 0.000 1.097 445 V CA 1.852 64.101 62.300 -0.085 0.000 1.134 445 V CB 0.118 31.673 31.823 -0.447 0.000 0.841 445 V HN 0.271 nan 8.190 nan 0.000 0.496 446 K N 0.440 120.955 120.400 0.192 0.000 2.578 446 K HA 0.675 4.995 4.320 -0.000 0.000 0.250 446 K C -0.687 175.947 176.600 0.057 0.000 0.955 446 K CA -0.270 56.068 56.287 0.086 0.000 0.825 446 K CB 2.073 34.487 32.500 -0.145 0.000 1.151 446 K HN 0.387 nan 8.250 nan 0.000 0.432 447 A N 1.806 124.503 122.820 -0.204 0.000 2.498 447 A HA -0.038 4.282 4.320 -0.000 0.000 0.239 447 A C 0.808 178.203 177.584 -0.315 0.000 1.068 447 A CA 0.217 51.860 52.037 -0.657 0.000 0.766 447 A CB 0.211 18.723 19.000 -0.813 0.000 1.003 447 A HN 0.923 nan 8.150 nan 0.000 0.497 448 D N 0.939 121.168 120.400 -0.285 0.000 2.107 448 D HA -0.017 4.623 4.640 -0.000 0.000 0.204 448 D C 0.545 176.751 176.300 -0.157 0.000 0.978 448 D CA 1.361 55.266 54.000 -0.158 0.000 0.852 448 D CB 0.139 40.898 40.800 -0.069 0.000 1.008 448 D HN 0.565 nan 8.370 nan 0.000 0.458 449 R N -0.726 119.668 120.500 -0.177 0.000 2.574 449 R HA 0.564 4.904 4.340 -0.000 0.000 0.288 449 R C -1.501 174.710 176.300 -0.148 0.000 1.004 449 R CA -0.791 55.233 56.100 -0.127 0.000 0.895 449 R CB 2.969 33.215 30.300 -0.089 0.000 1.191 449 R HN -0.112 nan 8.270 nan 0.000 0.444 450 V N 5.129 124.997 119.914 -0.077 0.000 2.357 450 V HA 0.416 4.536 4.120 -0.000 0.000 0.284 450 V C 0.056 176.130 176.094 -0.034 0.000 1.018 450 V CA -0.611 61.650 62.300 -0.066 0.000 0.841 450 V CB 1.394 33.203 31.823 -0.024 0.000 0.991 450 V HN 0.612 nan 8.190 nan 0.000 0.437 451 I N 5.730 126.269 120.570 -0.051 0.000 2.342 451 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 451 I C 0.080 176.152 176.117 -0.074 0.000 1.010 451 I CA -0.382 60.880 61.300 -0.063 0.000 1.308 451 I CB 1.009 38.962 38.000 -0.077 0.000 1.400 451 I HN 0.356 nan 8.210 nan 0.000 0.488 452 K N 4.645 124.996 120.400 -0.083 0.000 2.502 452 K HA 0.340 4.660 4.320 -0.000 0.000 0.254 452 K C 0.336 176.802 176.600 -0.225 0.000 0.947 452 K CA -0.468 55.764 56.287 -0.090 0.000 0.834 452 K CB 1.727 34.239 32.500 0.019 0.000 1.112 452 K HN 0.872 nan 8.250 nan 0.000 0.427 453 G N 1.641 110.053 108.800 -0.647 0.000 2.283 453 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.280 453 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.280 453 G C 0.786 175.386 174.900 -0.500 0.000 1.029 453 G CA 1.171 45.636 45.100 -1.059 0.000 0.840 453 G HN 1.115 nan 8.290 nan 0.000 0.505 454 G N -2.005 106.568 108.800 -0.379 0.000 2.179 454 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.260 454 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.260 454 G C 0.174 175.002 174.900 -0.120 0.000 0.977 454 G CA 0.562 45.540 45.100 -0.203 0.000 0.641 454 G HN 1.276 nan 8.290 nan 0.000 0.533 455 I N 0.796 121.304 120.570 -0.103 0.000 2.582 455 I HA 0.431 4.600 4.170 -0.000 0.000 0.292 455 I C 0.742 176.838 176.117 -0.036 0.000 1.066 455 I CA -1.474 59.796 61.300 -0.049 0.000 1.053 455 I CB 1.751 39.738 38.000 -0.021 0.000 1.241 455 I HN -0.016 nan 8.210 nan 0.000 0.421 456 I N 4.349 124.908 120.570 -0.019 0.000 2.668 456 I HA 0.018 4.188 4.170 -0.000 0.000 0.285 456 I C 1.268 177.390 176.117 0.008 0.000 1.168 456 I CA 0.398 61.690 61.300 -0.013 0.000 1.424 456 I CB 0.994 38.984 38.000 -0.016 0.000 1.377 456 I HN 0.772 nan 8.210 nan 0.000 0.560 457 A N 6.343 129.175 122.820 0.020 0.000 1.993 457 A HA 0.112 4.432 4.320 -0.000 0.000 0.207 457 A C 0.252 177.897 177.584 0.101 0.000 1.224 457 A CA 0.642 52.709 52.037 0.051 0.000 0.749 457 A CB 0.284 19.320 19.000 0.059 0.000 0.884 457 A HN 0.642 nan 8.150 nan 0.000 0.467 458 Y N -1.250 119.009 120.300 -0.069 0.000 2.470 458 Y HA 0.580 5.130 4.550 -0.000 0.000 0.341 458 Y C -0.653 175.187 175.900 -0.099 0.000 1.021 458 Y CA -0.682 57.369 58.100 -0.081 0.000 1.025 458 Y CB 1.725 40.139 38.460 -0.077 0.000 1.266 458 Y HN 0.332 nan 8.280 nan 0.000 0.448 459 A N 4.300 126.845 122.820 -0.459 0.000 2.549 459 A HA 0.545 4.865 4.320 -0.000 0.000 0.297 459 A C -1.817 175.543 177.584 -0.373 0.000 1.061 459 A CA -0.930 50.932 52.037 -0.293 0.000 0.690 459 A CB 1.863 20.748 19.000 -0.191 0.000 1.287 459 A HN 0.561 nan 8.150 nan 0.000 0.402 460 Q N 1.125 120.784 119.800 -0.235 0.000 2.361 460 Q HA 0.497 4.837 4.340 -0.000 0.000 0.250 460 Q C -1.040 174.863 176.000 -0.162 0.000 1.023 460 Q CA 0.421 56.101 55.803 -0.206 0.000 0.915 460 Q CB 1.116 29.736 28.738 -0.197 0.000 1.238 460 Q HN 0.655 nan 8.270 nan 0.000 0.451 461 I N 0.293 120.768 120.570 -0.158 0.000 3.006 461 I HA 0.597 4.767 4.170 -0.000 0.000 0.306 461 I C -0.171 175.890 176.117 -0.094 0.000 1.250 461 I CA -0.691 60.541 61.300 -0.113 0.000 0.996 461 I CB 2.155 40.086 38.000 -0.115 0.000 1.261 461 I HN 0.577 nan 8.210 nan 0.000 0.442 462 G N 2.097 110.859 108.800 -0.063 0.000 2.641 462 G HA2 0.142 4.102 3.960 -0.000 0.000 0.239 462 G HA3 0.142 4.102 3.960 -0.000 0.000 0.239 462 G C -0.789 174.085 174.900 -0.043 0.000 1.402 462 G CA -0.324 44.747 45.100 -0.048 0.000 1.046 462 G HN 0.609 nan 8.290 nan 0.000 0.565 463 D N 0.765 121.147 120.400 -0.030 0.000 2.570 463 D HA 0.035 4.675 4.640 -0.000 0.000 0.243 463 D C -0.916 175.371 176.300 -0.023 0.000 1.171 463 D CA -1.297 52.688 54.000 -0.024 0.000 0.879 463 D CB 1.331 42.122 40.800 -0.015 0.000 1.143 463 D HN -0.022 nan 8.370 nan 0.000 0.511 464 P HA -0.076 nan 4.420 nan 0.000 0.233 464 P C 0.795 178.089 177.300 -0.010 0.000 1.167 464 P CA 0.546 63.632 63.100 -0.023 0.000 0.770 464 P CB 0.137 31.817 31.700 -0.032 0.000 0.837 465 S N -1.842 113.853 115.700 -0.009 0.000 2.556 465 S HA 0.392 4.862 4.470 -0.000 0.000 0.216 465 S C 1.039 175.637 174.600 -0.003 0.000 0.970 465 S CA -0.303 57.894 58.200 -0.004 0.000 0.912 465 S CB -0.455 62.742 63.200 -0.005 0.000 0.790 465 S HN 0.120 nan 8.310 nan 0.000 0.504 466 A N 1.851 124.669 122.820 -0.004 0.000 2.272 466 A HA 0.655 4.974 4.320 -0.000 0.000 0.275 466 A C 1.524 179.108 177.584 0.001 0.000 1.096 466 A CA 0.034 52.070 52.037 -0.002 0.000 0.822 466 A CB 0.349 19.346 19.000 -0.005 0.000 1.088 466 A HN 0.573 nan 8.150 nan 0.000 0.495 467 S N -0.339 115.361 115.700 0.001 0.000 2.423 467 S HA 0.042 4.512 4.470 -0.000 0.000 0.231 467 S C 0.675 175.278 174.600 0.005 0.000 1.014 467 S CA 1.211 59.413 58.200 0.003 0.000 0.965 467 S CB -0.942 62.259 63.200 0.002 0.000 0.785 467 S HN 1.032 nan 8.310 nan 0.000 0.495 468 I N -3.720 116.853 120.570 0.004 0.000 3.095 468 I HA 0.531 4.700 4.170 -0.000 0.000 0.310 468 I C -2.854 173.263 176.117 0.001 0.000 1.196 468 I CA -2.868 58.435 61.300 0.005 0.000 0.985 468 I CB 1.828 39.832 38.000 0.006 0.000 1.250 468 I HN -0.321 nan 8.210 nan 0.000 0.446 469 P HA 0.064 nan 4.420 nan 0.000 0.245 469 P C 1.083 178.374 177.300 -0.015 0.000 1.206 469 P CA 0.686 63.780 63.100 -0.009 0.000 0.781 469 P CB 0.035 31.730 31.700 -0.009 0.000 0.994 470 T N -4.821 109.728 114.554 -0.008 0.000 3.067 470 T HA 0.169 4.519 4.350 -0.000 0.000 0.257 470 T C -1.495 173.201 174.700 -0.007 0.000 1.105 470 T CA -0.338 61.758 62.100 -0.007 0.000 1.104 470 T CB -1.940 66.929 68.868 0.002 0.000 0.925 470 T HN 0.113 nan 8.240 nan 0.000 0.498 471 P HA 0.233 nan 4.420 nan 0.000 0.272 471 P C 0.060 177.353 177.300 -0.011 0.000 1.223 471 P CA -0.310 62.786 63.100 -0.006 0.000 0.784 471 P CB 0.393 32.090 31.700 -0.005 0.000 0.923 472 Q N 2.091 121.886 119.800 -0.008 0.000 2.421 472 Q HA 0.214 4.554 4.340 -0.000 0.000 0.255 472 Q C -1.988 174.004 176.000 -0.012 0.000 1.013 472 Q CA -1.220 54.577 55.803 -0.010 0.000 0.895 472 Q CB -0.541 28.194 28.738 -0.005 0.000 1.271 472 Q HN 0.364 nan 8.270 nan 0.000 0.460 473 P HA 0.201 nan 4.420 nan 0.000 0.297 473 P C -0.735 176.547 177.300 -0.030 0.000 1.331 473 P CA -0.474 62.616 63.100 -0.016 0.000 0.803 473 P CB 0.890 32.584 31.700 -0.010 0.000 0.929 474 V N 5.778 125.672 119.914 -0.034 0.000 2.427 474 V HA 0.317 4.437 4.120 -0.000 0.000 0.268 474 V C 0.750 176.803 176.094 -0.068 0.000 1.046 474 V CA 0.360 62.626 62.300 -0.057 0.000 0.970 474 V CB -0.297 31.492 31.823 -0.057 0.000 1.001 474 V HN 0.648 nan 8.190 nan 0.000 0.476 475 M N 3.666 123.214 119.600 -0.087 0.000 2.622 475 M HA 0.802 5.282 4.480 -0.000 0.000 0.276 475 M C -0.014 176.201 176.300 -0.142 0.000 1.265 475 M CA -0.723 54.529 55.300 -0.081 0.000 0.850 475 M CB 2.030 34.602 32.600 -0.047 0.000 1.720 475 M HN 0.492 nan 8.290 nan 0.000 0.465 476 G N 1.705 110.440 108.800 -0.108 0.000 2.361 476 G HA2 0.581 4.541 3.960 -0.000 0.000 0.260 476 G HA3 0.581 4.541 3.960 -0.000 0.000 0.260 476 G C -0.851 173.788 174.900 -0.436 0.000 1.261 476 G CA -0.563 44.373 45.100 -0.272 0.000 0.897 476 G HN 0.708 nan 8.290 nan 0.000 0.499 477 R N 1.842 121.856 120.500 -0.811 0.000 2.673 477 R HA 0.336 4.676 4.340 -0.000 0.000 0.281 477 R C -0.256 175.673 176.300 -0.617 0.000 0.991 477 R CA -1.014 54.769 56.100 -0.528 0.000 0.896 477 R CB 2.533 32.644 30.300 -0.315 0.000 1.201 477 R HN 0.513 nan 8.270 nan 0.000 0.457 478 R N 2.045 122.405 120.500 -0.233 0.000 2.537 478 R HA 0.201 4.541 4.340 -0.000 0.000 0.280 478 R C 0.238 176.429 176.300 -0.181 0.000 1.058 478 R CA 0.229 56.283 56.100 -0.078 0.000 1.057 478 R CB 0.515 30.822 30.300 0.012 0.000 0.973 478 R HN 0.271 nan 8.270 nan 0.000 0.438 479 M N 1.275 120.789 119.600 -0.144 0.000 2.799 479 M HA 0.166 4.645 4.480 -0.000 0.000 0.274 479 M C 0.976 177.162 176.300 -0.190 0.000 1.137 479 M CA -0.567 54.609 55.300 -0.207 0.000 0.897 479 M CB -0.056 32.481 32.600 -0.104 0.000 1.567 479 M HN 0.520 nan 8.290 nan 0.000 0.536 480 Y N 0.309 120.586 120.300 -0.038 0.000 2.483 480 Y HA -0.051 4.498 4.550 -0.000 0.000 0.291 480 Y C 2.179 178.060 175.900 -0.032 0.000 1.143 480 Y CA 1.523 59.603 58.100 -0.034 0.000 1.289 480 Y CB -1.003 37.436 38.460 -0.035 0.000 0.983 480 Y HN 0.850 nan 8.280 nan 0.000 0.556 481 G N -0.794 108.061 108.800 0.092 0.000 2.470 481 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 481 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 481 G C 1.673 176.586 174.900 0.021 0.000 1.121 481 G CA 1.534 46.662 45.100 0.047 0.000 0.766 481 G HN 0.464 nan 8.290 nan 0.000 0.553 482 T N -1.960 112.598 114.554 0.007 0.000 3.107 482 T HA 0.365 4.714 4.350 -0.000 0.000 0.249 482 T C 0.589 175.270 174.700 -0.033 0.000 1.096 482 T CA -0.189 61.905 62.100 -0.010 0.000 1.012 482 T CB 0.253 69.120 68.868 -0.002 0.000 0.977 482 T HN -0.069 nan 8.240 nan 0.000 0.527 483 V N 1.472 121.375 119.914 -0.019 0.000 2.617 483 V HA 0.690 4.810 4.120 -0.000 0.000 0.298 483 V C 1.543 177.618 176.094 -0.032 0.000 1.048 483 V CA 0.014 62.304 62.300 -0.017 0.000 0.964 483 V CB 0.455 32.294 31.823 0.026 0.000 1.004 483 V HN 0.764 nan 8.190 nan 0.000 0.466 484 G N 3.674 112.447 108.800 -0.046 0.000 2.582 484 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.288 484 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.288 484 G C 0.343 175.143 174.900 -0.166 0.000 1.247 484 G CA 0.576 45.639 45.100 -0.062 0.000 0.972 484 G HN 0.692 nan 8.290 nan 0.000 0.557 485 D N 0.167 120.484 120.400 -0.138 0.000 2.349 485 D HA 0.118 4.757 4.640 -0.000 0.000 0.224 485 D C 2.351 178.533 176.300 -0.195 0.000 1.029 485 D CA 0.304 54.169 54.000 -0.225 0.000 0.879 485 D CB 0.183 40.989 40.800 0.011 0.000 0.906 485 D HN 0.239 nan 8.370 nan 0.000 0.528 486 L N 0.820 121.977 121.223 -0.111 0.000 2.275 486 L HA 0.047 4.387 4.340 -0.000 0.000 0.215 486 L C 1.791 178.626 176.870 -0.059 0.000 1.119 486 L CA 0.797 55.609 54.840 -0.046 0.000 0.790 486 L CB -0.363 41.695 42.059 -0.002 0.000 0.919 486 L HN -0.005 nan 8.230 nan 0.000 0.443 487 I N -1.185 119.293 120.570 -0.154 0.000 2.454 487 I HA -0.351 3.818 4.170 -0.000 0.000 0.254 487 I C 2.009 178.104 176.117 -0.036 0.000 1.156 487 I CA 1.311 62.543 61.300 -0.114 0.000 1.433 487 I CB -0.071 37.836 38.000 -0.155 0.000 1.082 487 I HN 0.477 nan 8.210 nan 0.000 0.432 488 H N -0.602 118.479 119.070 0.020 0.000 2.403 488 H HA -0.083 4.473 4.556 -0.000 0.000 0.298 488 H C 1.252 176.596 175.328 0.026 0.000 1.059 488 H CA 0.987 57.041 56.048 0.009 0.000 1.363 488 H CB 0.159 29.921 29.762 0.001 0.000 1.410 488 H HN 0.291 nan 8.280 nan 0.000 0.528 489 D N -0.477 120.012 120.400 0.148 0.000 2.348 489 D HA -0.058 4.581 4.640 -0.000 0.000 0.211 489 D C 1.817 178.225 176.300 0.181 0.000 0.998 489 D CA 1.054 55.138 54.000 0.139 0.000 0.873 489 D CB 0.106 40.971 40.800 0.108 0.000 0.925 489 D HN 0.471 nan 8.370 nan 0.000 0.524 490 T N -2.923 111.724 114.554 0.156 0.000 3.069 490 T HA 0.159 4.508 4.350 -0.000 0.000 0.252 490 T C 0.641 175.510 174.700 0.281 0.000 1.053 490 T CA -0.350 61.859 62.100 0.181 0.000 0.964 490 T CB 0.495 69.404 68.868 0.068 0.000 1.005 490 T HN -0.162 nan 8.240 nan 0.000 0.532 491 N N 0.759 119.579 118.700 0.200 0.000 2.262 491 N HA 0.559 5.299 4.740 -0.000 0.000 0.295 491 N C -1.461 174.015 175.510 -0.057 0.000 1.161 491 N CA -0.632 52.491 53.050 0.122 0.000 0.767 491 N CB 2.463 40.999 38.487 0.080 0.000 1.499 491 N HN 0.189 nan 8.380 nan 0.000 0.476 492 I N 0.852 121.305 120.570 -0.196 0.000 2.404 492 I HA 0.236 4.405 4.170 -0.000 0.000 0.293 492 I C 0.014 175.888 176.117 -0.405 0.000 0.992 492 I CA -0.454 60.566 61.300 -0.467 0.000 1.149 492 I CB 1.861 39.321 38.000 -0.901 0.000 1.315 492 I HN 0.211 nan 8.210 nan 0.000 0.446 493 T N 6.241 120.577 114.554 -0.363 0.000 2.738 493 T HA 0.427 4.777 4.350 -0.000 0.000 0.298 493 T C -0.388 174.131 174.700 -0.302 0.000 0.962 493 T CA -0.223 61.726 62.100 -0.253 0.000 0.972 493 T CB -0.027 68.743 68.868 -0.163 0.000 0.928 493 T HN 0.091 nan 8.240 nan 0.000 0.474 494 F N 3.845 123.774 119.950 -0.036 0.000 2.420 494 F HA 0.555 5.082 4.527 -0.000 0.000 0.352 494 F C 0.638 176.456 175.800 0.031 0.000 1.108 494 F CA -0.593 57.441 58.000 0.057 0.000 1.162 494 F CB 0.683 39.835 39.000 0.254 0.000 1.118 494 F HN 0.277 nan 8.300 nan 0.000 0.510 495 M N 1.506 121.240 119.600 0.222 0.000 2.631 495 M HA 0.364 4.844 4.480 -0.000 0.000 0.288 495 M C -0.277 176.109 176.300 0.144 0.000 1.260 495 M CA -1.052 54.325 55.300 0.127 0.000 0.842 495 M CB 2.514 35.139 32.600 0.042 0.000 1.743 495 M HN 0.553 nan 8.290 nan 0.000 0.461 496 S N 0.206 115.966 115.700 0.100 0.000 2.584 496 S HA 0.200 4.670 4.470 -0.000 0.000 0.270 496 S C 0.602 175.240 174.600 0.063 0.000 1.346 496 S CA -0.371 57.880 58.200 0.084 0.000 1.018 496 S CB 0.860 64.093 63.200 0.055 0.000 0.899 496 S HN 0.760 nan 8.310 nan 0.000 0.542 497 K N 1.137 121.569 120.400 0.053 0.000 2.063 497 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 497 K C 2.608 179.221 176.600 0.021 0.000 1.048 497 K CA 1.684 57.992 56.287 0.035 0.000 0.928 497 K CB -0.479 32.035 32.500 0.023 0.000 0.713 497 K HN 0.847 nan 8.250 nan 0.000 0.442 498 S N 0.867 116.577 115.700 0.018 0.000 2.383 498 S HA -0.150 4.320 4.470 -0.000 0.000 0.227 498 S C 2.178 176.782 174.600 0.007 0.000 1.026 498 S CA 1.474 59.679 58.200 0.010 0.000 0.981 498 S CB -0.420 62.784 63.200 0.007 0.000 0.818 498 S HN 0.337 nan 8.310 nan 0.000 0.472 499 S N 2.336 118.042 115.700 0.010 0.000 2.383 499 S HA 0.020 4.490 4.470 -0.000 0.000 0.227 499 S C 1.869 176.468 174.600 -0.002 0.000 1.026 499 S CA 1.006 59.208 58.200 0.002 0.000 0.981 499 S CB -0.931 62.269 63.200 0.000 0.000 0.818 499 S HN 0.566 nan 8.310 nan 0.000 0.472 500 I N 1.719 122.292 120.570 0.006 0.000 2.252 500 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 500 I C 3.056 179.172 176.117 -0.001 0.000 1.102 500 I CA 1.686 62.987 61.300 0.002 0.000 1.385 500 I CB -0.421 37.587 38.000 0.013 0.000 1.064 500 I HN 0.407 nan 8.210 nan 0.000 0.414 501 Q N 0.763 120.564 119.800 0.002 0.000 2.224 501 Q HA -0.213 4.127 4.340 -0.000 0.000 0.203 501 Q C 1.854 177.852 176.000 -0.004 0.000 0.970 501 Q CA 1.251 57.054 55.803 -0.001 0.000 0.865 501 Q CB 0.121 28.860 28.738 0.001 0.000 0.922 501 Q HN 0.552 nan 8.270 nan 0.000 0.445 502 Q N -1.090 118.708 119.800 -0.004 0.000 2.365 502 Q HA 0.119 4.459 4.340 -0.000 0.000 0.203 502 Q C 0.418 176.412 176.000 -0.010 0.000 0.929 502 Q CA 0.356 56.155 55.803 -0.006 0.000 0.948 502 Q CB 0.666 29.401 28.738 -0.005 0.000 1.043 502 Q HN 0.571 nan 8.270 nan 0.000 0.505 503 G N 0.510 109.303 108.800 -0.012 0.000 2.198 503 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 503 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 503 G C 0.709 175.595 174.900 -0.023 0.000 1.042 503 G CA 0.280 45.370 45.100 -0.017 0.000 0.791 503 G HN 0.282 nan 8.290 nan 0.000 0.502 504 V N 0.469 120.368 119.914 -0.025 0.000 2.332 504 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 504 V C 0.980 177.046 176.094 -0.046 0.000 1.055 504 V CA 2.661 64.940 62.300 -0.034 0.000 1.038 504 V CB -1.006 30.797 31.823 -0.033 0.000 0.651 504 V HN 0.434 nan 8.190 nan 0.000 0.450 505 P HA -0.182 nan 4.420 nan 0.000 0.215 505 P C 1.730 178.994 177.300 -0.060 0.000 1.157 505 P CA 2.232 65.295 63.100 -0.061 0.000 0.874 505 P CB -0.175 31.490 31.700 -0.058 0.000 0.790 506 A N -0.168 122.624 122.820 -0.046 0.000 1.898 506 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 506 A C 2.293 179.853 177.584 -0.041 0.000 1.181 506 A CA 1.710 53.722 52.037 -0.042 0.000 0.620 506 A CB -1.216 17.765 19.000 -0.031 0.000 0.819 506 A HN 0.103 nan 8.150 nan 0.000 0.442 507 K N -0.131 120.246 120.400 -0.038 0.000 2.032 507 K HA -0.105 4.214 4.320 -0.000 0.000 0.209 507 K C 1.525 178.098 176.600 -0.045 0.000 1.048 507 K CA 1.688 57.954 56.287 -0.035 0.000 0.927 507 K CB -0.290 32.192 32.500 -0.031 0.000 0.712 507 K HN 0.509 nan 8.250 nan 0.000 0.441 508 L N -0.393 120.795 121.223 -0.059 0.000 2.558 508 L HA 0.151 4.490 4.340 -0.000 0.000 0.225 508 L C 1.018 177.840 176.870 -0.080 0.000 1.128 508 L CA 0.401 55.196 54.840 -0.075 0.000 0.868 508 L CB 0.073 42.077 42.059 -0.093 0.000 1.006 508 L HN 0.535 nan 8.230 nan 0.000 0.454 509 G N 1.270 110.025 108.800 -0.075 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 0.136 174.965 174.900 -0.119 0.000 1.042 509 G CA -0.258 44.791 45.100 -0.084 0.000 0.791 509 G HN 0.242 nan 8.290 nan 0.000 0.502 510 L N -0.343 120.808 121.223 -0.121 0.000 2.410 510 L HA 0.276 4.615 4.340 -0.000 0.000 0.273 510 L C 1.437 178.199 176.870 -0.181 0.000 1.144 510 L CA -0.219 54.528 54.840 -0.154 0.000 0.863 510 L CB 0.616 42.599 42.059 -0.127 0.000 1.140 510 L HN -0.004 nan 8.230 nan 0.000 0.463 511 K N 2.830 123.053 120.400 -0.295 0.000 2.360 511 K HA 0.199 4.519 4.320 -0.000 0.000 0.196 511 K C 0.606 177.084 176.600 -0.204 0.000 1.049 511 K CA 0.011 56.107 56.287 -0.318 0.000 1.049 511 K CB 0.405 32.544 32.500 -0.600 0.000 0.881 511 K HN 0.531 nan 8.250 nan 0.000 0.542 512 R N 1.504 121.902 120.500 -0.170 0.000 2.738 512 R HA 0.129 4.468 4.340 -0.000 0.000 0.268 512 R C 0.217 176.471 176.300 -0.077 0.000 1.062 512 R CA -0.134 55.932 56.100 -0.056 0.000 1.158 512 R CB 0.476 30.741 30.300 -0.058 0.000 1.046 512 R HN 0.004 nan 8.270 nan 0.000 0.493 513 R N 1.600 122.057 120.500 -0.071 0.000 2.537 513 R HA -0.003 4.337 4.340 -0.000 0.000 0.281 513 R C -0.105 176.077 176.300 -0.198 0.000 0.988 513 R CA 0.271 56.297 56.100 -0.124 0.000 1.077 513 R CB 0.194 30.383 30.300 -0.186 0.000 0.932 513 R HN 0.312 nan 8.270 nan 0.000 0.409 514 I N 2.343 122.818 120.570 -0.158 0.000 2.339 514 I HA 0.236 4.406 4.170 -0.000 0.000 0.290 514 I C 0.889 176.905 176.117 -0.169 0.000 0.994 514 I CA -0.222 60.981 61.300 -0.161 0.000 1.191 514 I CB 1.128 39.076 38.000 -0.087 0.000 1.343 514 I HN 0.659 nan 8.210 nan 0.000 0.458 515 G N 4.380 113.019 108.800 -0.269 0.000 2.371 515 G HA2 0.537 4.496 3.960 -0.000 0.000 0.326 515 G HA3 0.537 4.496 3.960 -0.000 0.000 0.326 515 G C -0.492 174.510 174.900 0.170 0.000 1.127 515 G CA -0.228 44.779 45.100 -0.155 0.000 0.885 515 G HN 0.493 nan 8.290 nan 0.000 0.477 516 T N 1.482 116.220 114.554 0.306 0.000 2.767 516 T HA 0.319 4.669 4.350 -0.000 0.000 0.288 516 T C 0.369 175.304 174.700 0.392 0.000 0.963 516 T CA -0.234 62.037 62.100 0.285 0.000 1.019 516 T CB 1.492 70.464 68.868 0.173 0.000 0.923 516 T HN 0.272 nan 8.240 nan 0.000 0.468 517 V N 6.152 126.249 119.914 0.305 0.000 2.470 517 V HA 0.392 4.512 4.120 -0.000 0.000 0.276 517 V C 0.360 176.528 176.094 0.122 0.000 1.040 517 V CA 0.027 62.472 62.300 0.241 0.000 1.008 517 V CB -0.080 31.869 31.823 0.211 0.000 0.990 517 V HN 0.893 nan 8.190 nan 0.000 0.477 518 K N 2.827 123.275 120.400 0.080 0.000 2.579 518 K HA 0.493 4.813 4.320 -0.000 0.000 0.284 518 K C -0.366 176.218 176.600 -0.026 0.000 0.990 518 K CA -0.998 55.282 56.287 -0.012 0.000 0.880 518 K CB 1.300 33.745 32.500 -0.092 0.000 1.488 518 K HN 0.421 nan 8.250 nan 0.000 0.425 519 N N 0.066 118.745 118.700 -0.035 0.000 2.746 519 N HA -0.178 4.562 4.740 -0.000 0.000 0.250 519 N C -0.303 175.189 175.510 -0.030 0.000 1.055 519 N CA 0.473 53.502 53.050 -0.034 0.000 0.699 519 N CB -1.744 36.718 38.487 -0.041 0.000 0.919 519 N HN 0.625 nan 8.380 nan 0.000 0.548 520 C N -0.728 118.554 119.300 -0.029 0.000 3.230 520 C HA 0.227 4.687 4.460 -0.000 0.000 0.300 520 C C 1.822 176.790 174.990 -0.037 0.000 1.292 520 C CA -0.323 58.672 59.018 -0.038 0.000 1.707 520 C CB -0.088 27.632 27.740 -0.033 0.000 2.181 520 C HN 0.492 nan 8.230 nan 0.000 0.655 521 R N 2.156 122.638 120.500 -0.030 0.000 2.334 521 R HA 0.125 4.465 4.340 -0.000 0.000 0.212 521 R C 0.691 176.974 176.300 -0.028 0.000 0.897 521 R CA 0.375 56.458 56.100 -0.028 0.000 1.056 521 R CB -0.697 29.589 30.300 -0.023 0.000 1.046 521 R HN 0.746 nan 8.270 nan 0.000 0.513 522 N N 1.121 119.803 118.700 -0.029 0.000 2.328 522 N HA 0.112 4.852 4.740 -0.000 0.000 0.247 522 N C 0.443 175.933 175.510 -0.032 0.000 1.165 522 N CA -0.129 52.905 53.050 -0.027 0.000 0.873 522 N CB 0.586 39.058 38.487 -0.025 0.000 1.125 522 N HN 0.149 nan 8.380 nan 0.000 0.513 523 I N -3.368 117.179 120.570 -0.038 0.000 3.100 523 I HA 0.901 5.071 4.170 -0.000 0.000 0.312 523 I C 0.147 176.237 176.117 -0.045 0.000 1.063 523 I CA -1.062 60.210 61.300 -0.046 0.000 1.031 523 I CB 2.028 39.993 38.000 -0.058 0.000 1.243 523 I HN -0.092 nan 8.210 nan 0.000 0.483 524 G N 1.398 110.168 108.800 -0.051 0.000 2.706 524 G HA2 0.263 4.222 3.960 -0.000 0.000 0.307 524 G HA3 0.263 4.222 3.960 -0.000 0.000 0.307 524 G C -0.309 174.558 174.900 -0.055 0.000 1.307 524 G CA -0.452 44.621 45.100 -0.045 0.000 0.790 524 G HN 0.675 nan 8.290 nan 0.000 0.503 525 K N 0.564 120.937 120.400 -0.045 0.000 2.103 525 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 525 K C 2.358 178.923 176.600 -0.058 0.000 1.048 525 K CA 2.443 58.700 56.287 -0.051 0.000 0.930 525 K CB -0.238 32.242 32.500 -0.034 0.000 0.716 525 K HN 0.528 nan 8.250 nan 0.000 0.444 526 K N -0.400 119.969 120.400 -0.052 0.000 2.281 526 K HA -0.141 4.179 4.320 -0.000 0.000 0.203 526 K C 0.473 177.028 176.600 -0.075 0.000 1.046 526 K CA 1.732 57.985 56.287 -0.057 0.000 0.938 526 K CB -0.049 32.422 32.500 -0.047 0.000 0.737 526 K HN 0.118 nan 8.250 nan 0.000 0.458 527 D N 0.558 120.909 120.400 -0.081 0.000 2.340 527 D HA 0.042 4.682 4.640 -0.000 0.000 0.220 527 D C 0.144 176.368 176.300 -0.125 0.000 1.039 527 D CA 0.357 54.299 54.000 -0.097 0.000 0.866 527 D CB 0.217 40.966 40.800 -0.086 0.000 0.913 527 D HN 0.237 nan 8.370 nan 0.000 0.523 528 M N 1.799 121.328 119.600 -0.117 0.000 2.108 528 M HA 0.099 4.579 4.480 -0.000 0.000 0.347 528 M C 0.235 176.457 176.300 -0.130 0.000 1.326 528 M CA -0.234 54.990 55.300 -0.126 0.000 1.126 528 M CB 0.795 33.334 32.600 -0.103 0.000 1.606 528 M HN -0.398 nan 8.290 nan 0.000 0.462 529 K N 3.063 123.358 120.400 -0.176 0.000 2.472 529 K HA -0.107 4.213 4.320 -0.000 0.000 0.280 529 K C 0.101 176.702 176.600 0.003 0.000 1.028 529 K CA 0.404 56.574 56.287 -0.197 0.000 1.045 529 K CB -0.060 32.257 32.500 -0.304 0.000 0.902 529 K HN 0.792 nan 8.250 nan 0.000 0.478 530 W N 0.653 121.909 121.300 -0.074 0.000 2.902 530 W HA -0.274 4.386 4.660 -0.000 0.000 0.278 530 W C 0.151 176.607 176.519 -0.105 0.000 1.066 530 W CA 0.403 57.685 57.345 -0.105 0.000 0.570 530 W CB -1.602 27.747 29.460 -0.186 0.000 2.092 530 W HN 0.616 nan 8.180 nan 0.000 1.423 531 N N 0.514 119.252 118.700 0.063 0.000 2.651 531 N HA 0.040 4.780 4.740 -0.000 0.000 0.277 531 N C -0.157 175.336 175.510 -0.027 0.000 1.787 531 N CA 0.506 53.560 53.050 0.006 0.000 0.818 531 N CB 0.386 38.852 38.487 -0.034 0.000 1.316 531 N HN 0.265 nan 8.380 nan 0.000 0.503 532 D N -0.902 119.488 120.400 -0.016 0.000 2.538 532 D HA 0.062 4.701 4.640 -0.000 0.000 0.231 532 D C 0.113 176.400 176.300 -0.023 0.000 1.229 532 D CA -0.169 53.810 54.000 -0.035 0.000 0.828 532 D CB 0.167 40.935 40.800 -0.053 0.000 1.035 532 D HN -0.150 nan 8.370 nan 0.000 0.495 533 V N 1.710 121.617 119.914 -0.013 0.000 2.488 533 V HA 0.368 4.488 4.120 -0.000 0.000 0.277 533 V C 0.757 176.835 176.094 -0.026 0.000 1.046 533 V CA -0.130 62.164 62.300 -0.010 0.000 0.986 533 V CB 0.953 32.779 31.823 0.004 0.000 0.989 533 V HN 0.428 nan 8.190 nan 0.000 0.475 534 T N 1.279 115.815 114.554 -0.031 0.000 2.823 534 T HA 0.744 5.094 4.350 -0.000 0.000 0.279 534 T C -0.343 174.324 174.700 -0.055 0.000 0.998 534 T CA -0.595 61.476 62.100 -0.047 0.000 0.994 534 T CB 1.851 70.689 68.868 -0.050 0.000 0.960 534 T HN 0.734 nan 8.240 nan 0.000 0.448 535 T N 0.552 115.060 114.554 -0.076 0.000 2.749 535 T HA 0.287 4.637 4.350 -0.000 0.000 0.310 535 T C -2.049 172.590 174.700 -0.102 0.000 1.496 535 T CA -0.679 61.378 62.100 -0.072 0.000 1.006 535 T CB 1.911 70.753 68.868 -0.043 0.000 1.457 535 T HN 0.739 nan 8.240 nan 0.000 0.497 536 D N 2.574 122.923 120.400 -0.085 0.000 2.380 536 D HA 0.332 4.972 4.640 -0.000 0.000 0.230 536 D C -0.193 176.075 176.300 -0.055 0.000 1.154 536 D CA -0.094 53.852 54.000 -0.090 0.000 0.859 536 D CB 0.311 41.069 40.800 -0.071 0.000 1.045 536 D HN 0.413 nan 8.370 nan 0.000 0.495 537 I N 2.985 123.526 120.570 -0.048 0.000 2.312 537 I HA 0.088 4.258 4.170 -0.000 0.000 0.291 537 I C 0.330 176.440 176.117 -0.012 0.000 1.031 537 I CA -0.434 60.852 61.300 -0.022 0.000 1.293 537 I CB 1.026 39.018 38.000 -0.012 0.000 1.403 537 I HN 0.219 nan 8.210 nan 0.000 0.484 538 D N 7.597 127.990 120.400 -0.011 0.000 2.280 538 D HA 0.498 5.137 4.640 -0.000 0.000 0.236 538 D C -0.721 175.578 176.300 -0.002 0.000 1.082 538 D CA -0.285 53.711 54.000 -0.007 0.000 0.834 538 D CB 1.016 41.810 40.800 -0.009 0.000 1.100 538 D HN 0.318 nan 8.370 nan 0.000 0.486 539 I N 3.730 124.300 120.570 -0.000 0.000 2.382 539 I HA 0.202 4.372 4.170 -0.000 0.000 0.285 539 I C 0.168 176.301 176.117 0.025 0.000 1.007 539 I CA -0.944 60.362 61.300 0.010 0.000 1.142 539 I CB 1.278 39.274 38.000 -0.006 0.000 1.289 539 I HN 0.406 nan 8.210 nan 0.000 0.453 540 N N 9.129 127.856 118.700 0.045 0.000 2.447 540 N HA 0.073 4.813 4.740 -0.000 0.000 0.263 540 N C -1.575 173.995 175.510 0.100 0.000 1.226 540 N CA -1.167 51.911 53.050 0.046 0.000 0.906 540 N CB 1.438 39.943 38.487 0.030 0.000 1.060 540 N HN 0.331 nan 8.380 nan 0.000 0.468 541 P HA -0.060 nan 4.420 nan 0.000 0.221 541 P C 0.384 177.749 177.300 0.108 0.000 1.150 541 P CA 1.253 64.407 63.100 0.090 0.000 0.800 541 P CB 0.554 32.250 31.700 -0.007 0.000 0.787 542 E N -0.443 119.763 120.200 0.010 0.000 2.075 542 E HA -0.037 4.312 4.350 -0.000 0.000 0.190 542 E C 1.851 178.306 176.600 -0.240 0.000 0.969 542 E CA 1.693 58.043 56.400 -0.084 0.000 0.815 542 E CB -0.248 29.413 29.700 -0.065 0.000 0.776 542 E HN 0.322 nan 8.360 nan 0.000 0.457 543 T N -2.803 111.651 114.554 -0.167 0.000 3.014 543 T HA -0.014 4.336 4.350 -0.000 0.000 0.250 543 T C 0.245 174.847 174.700 -0.163 0.000 1.060 543 T CA -0.164 61.807 62.100 -0.215 0.000 1.040 543 T CB 0.088 68.903 68.868 -0.089 0.000 0.971 543 T HN 0.123 nan 8.240 nan 0.000 0.497 544 Y N 0.401 120.681 120.300 -0.033 0.000 4.907 544 Y HA -0.183 4.366 4.550 -0.000 0.000 0.246 544 Y C 0.355 176.230 175.900 -0.042 0.000 0.968 544 Y CA -0.052 58.024 58.100 -0.041 0.000 1.961 544 Y CB -2.590 35.841 38.460 -0.048 0.000 1.487 544 Y HN 0.659 nan 8.280 nan 0.000 0.575 545 E N 0.968 121.225 120.200 0.095 0.000 2.414 545 E HA 0.361 4.710 4.350 -0.000 0.000 0.263 545 E C -0.362 176.258 176.600 0.033 0.000 1.000 545 E CA 0.037 56.462 56.400 0.043 0.000 0.914 545 E CB 0.660 30.371 29.700 0.019 0.000 0.948 545 E HN 0.111 nan 8.360 nan 0.000 0.444 546 V N 5.362 125.285 119.914 0.015 0.000 2.427 546 V HA 0.337 4.457 4.120 -0.000 0.000 0.286 546 V C -0.076 176.020 176.094 0.003 0.000 1.034 546 V CA -0.511 61.791 62.300 0.004 0.000 0.893 546 V CB 1.435 33.253 31.823 -0.009 0.000 0.982 546 V HN 0.647 nan 8.190 nan 0.000 0.452 547 K N 3.276 123.676 120.400 0.000 0.000 2.378 547 K HA 0.801 5.121 4.320 -0.000 0.000 0.252 547 K C -1.615 174.981 176.600 -0.006 0.000 0.931 547 K CA -0.710 55.576 56.287 -0.001 0.000 0.794 547 K CB 2.682 35.181 32.500 -0.001 0.000 1.181 547 K HN 0.423 nan 8.250 nan 0.000 0.425 548 V N 2.990 122.901 119.914 -0.004 0.000 2.525 548 V HA 0.126 4.246 4.120 -0.000 0.000 0.299 548 V C -0.721 175.370 176.094 -0.005 0.000 1.034 548 V CA -0.670 61.626 62.300 -0.008 0.000 0.863 548 V CB 1.607 33.426 31.823 -0.006 0.000 0.999 548 V HN 0.891 nan 8.190 nan 0.000 0.423 549 D N 4.216 124.610 120.400 -0.010 0.000 2.708 549 D HA -0.190 4.450 4.640 -0.000 0.000 0.236 549 D C 1.340 177.637 176.300 -0.004 0.000 1.146 549 D CA 1.850 55.845 54.000 -0.008 0.000 0.662 549 D CB -1.111 39.687 40.800 -0.004 0.000 1.059 549 D HN 1.451 nan 8.370 nan 0.000 0.428 550 G N -0.555 108.242 108.800 -0.005 0.000 2.212 550 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.266 550 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.266 550 G C 0.035 174.935 174.900 0.000 0.000 0.978 550 G CA 0.729 45.828 45.100 -0.003 0.000 0.632 550 G HN 0.596 nan 8.290 nan 0.000 0.537 551 E N 0.348 120.549 120.200 0.002 0.000 2.191 551 E HA 0.600 4.950 4.350 -0.000 0.000 0.278 551 E C -0.079 176.525 176.600 0.007 0.000 0.972 551 E CA -1.127 55.276 56.400 0.006 0.000 0.804 551 E CB 2.629 32.335 29.700 0.010 0.000 1.110 551 E HN 0.073 nan 8.360 nan 0.000 0.394 552 V N 3.757 123.677 119.914 0.009 0.000 2.572 552 V HA 0.007 4.127 4.120 -0.000 0.000 0.291 552 V C 0.222 176.325 176.094 0.015 0.000 1.039 552 V CA -0.024 62.282 62.300 0.011 0.000 1.055 552 V CB 0.085 31.915 31.823 0.012 0.000 0.969 552 V HN 0.546 nan 8.190 nan 0.000 0.482 553 L N 5.473 126.704 121.223 0.013 0.000 2.259 553 L HA 0.523 4.862 4.340 -0.000 0.000 0.288 553 L C 0.142 177.024 176.870 0.020 0.000 1.051 553 L CA 0.251 55.102 54.840 0.018 0.000 0.824 553 L CB 1.160 43.226 42.059 0.013 0.000 1.206 553 L HN 0.745 nan 8.230 nan 0.000 0.429 554 T N 2.635 117.210 114.554 0.035 0.000 2.916 554 T HA 0.695 5.045 4.350 -0.000 0.000 0.305 554 T C -0.826 173.920 174.700 0.076 0.000 1.119 554 T CA -0.452 61.677 62.100 0.049 0.000 1.008 554 T CB 1.352 70.248 68.868 0.047 0.000 1.129 554 T HN 0.798 nan 8.240 nan 0.000 0.480 555 C N 2.416 121.786 119.300 0.117 0.000 3.318 555 C HA 0.869 5.329 4.460 -0.000 0.000 0.322 555 C C -0.753 174.367 174.990 0.216 0.000 1.398 555 C CA -0.974 58.129 59.018 0.142 0.000 1.339 555 C CB 1.350 29.174 27.740 0.140 0.000 1.668 555 C HN 0.795 nan 8.230 nan 0.000 0.462 556 E N 2.027 122.312 120.200 0.142 0.000 2.319 556 E HA 0.550 4.900 4.350 -0.000 0.000 0.268 556 E C -2.439 174.124 176.600 -0.060 0.000 1.050 556 E CA -1.627 54.818 56.400 0.076 0.000 0.878 556 E CB 1.014 30.722 29.700 0.013 0.000 1.066 556 E HN 0.614 nan 8.360 nan 0.000 0.406 557 P HA 0.075 nan 4.420 nan 0.000 0.278 557 P C -0.273 176.824 177.300 -0.339 0.000 1.238 557 P CA -0.357 62.258 63.100 -0.808 0.000 0.794 557 P CB 0.800 31.716 31.700 -1.306 0.000 0.955 558 V N 0.122 119.891 119.914 -0.240 0.000 2.713 558 V HA 0.411 4.531 4.120 -0.000 0.000 0.307 558 V C 1.204 177.233 176.094 -0.108 0.000 1.052 558 V CA -0.558 61.669 62.300 -0.121 0.000 0.967 558 V CB 1.523 33.311 31.823 -0.058 0.000 1.019 558 V HN 0.375 nan 8.190 nan 0.000 0.459 559 K N 0.756 121.115 120.400 -0.068 0.000 2.243 559 K HA 0.220 4.540 4.320 -0.000 0.000 0.201 559 K C 0.568 177.152 176.600 -0.026 0.000 1.051 559 K CA 0.802 57.059 56.287 -0.050 0.000 0.970 559 K CB 0.377 32.856 32.500 -0.035 0.000 0.755 559 K HN 0.871 nan 8.250 nan 0.000 0.465 560 E N 0.522 120.713 120.200 -0.016 0.000 2.340 560 E HA 0.395 4.745 4.350 -0.000 0.000 0.273 560 E C -1.486 175.122 176.600 0.014 0.000 0.891 560 E CA -0.525 55.878 56.400 0.004 0.000 0.757 560 E CB 1.464 31.169 29.700 0.008 0.000 1.231 560 E HN -0.065 nan 8.360 nan 0.000 0.439 561 L N 3.680 124.923 121.223 0.033 0.000 2.341 561 L HA 0.610 4.950 4.340 -0.000 0.000 0.267 561 L C -2.094 174.819 176.870 0.071 0.000 1.009 561 L CA -2.017 52.850 54.840 0.046 0.000 0.819 561 L CB 1.920 44.010 42.059 0.051 0.000 1.323 561 L HN 0.536 nan 8.230 nan 0.000 0.425 562 P HA 0.224 nan 4.420 nan 0.000 0.279 562 P C -0.255 177.134 177.300 0.149 0.000 1.282 562 P CA -0.410 62.753 63.100 0.105 0.000 0.788 562 P CB 0.633 32.373 31.700 0.067 0.000 1.139 563 M N -2.511 117.218 119.600 0.215 0.000 2.302 563 M HA -0.238 4.242 4.480 -0.000 0.000 0.200 563 M C 0.237 176.738 176.300 0.333 0.000 0.366 563 M CA 0.872 56.254 55.300 0.136 0.000 0.440 563 M CB -2.167 30.433 32.600 -0.001 0.000 1.475 563 M HN 0.605 nan 8.290 nan 0.000 0.905 564 A N -0.405 122.682 122.820 0.445 0.000 2.497 564 A HA 0.339 4.659 4.320 -0.000 0.000 0.186 564 A C 0.867 178.718 177.584 0.444 0.000 1.242 564 A CA 0.095 52.391 52.037 0.432 0.000 1.625 564 A CB 0.171 19.303 19.000 0.220 0.000 2.054 564 A HN 0.448 nan 8.150 nan 0.000 0.753 565 Q N -0.131 119.813 119.800 0.240 0.000 2.437 565 Q HA -0.013 4.327 4.340 -0.000 0.000 0.210 565 Q C 1.867 177.908 176.000 0.069 0.000 0.972 565 Q CA 0.858 56.758 55.803 0.162 0.000 0.903 565 Q CB 0.005 28.793 28.738 0.084 0.000 0.967 565 Q HN 0.525 nan 8.270 nan 0.000 0.486 566 R N -0.480 120.020 120.500 0.000 0.000 2.189 566 R HA -0.122 4.217 4.340 -0.000 0.000 0.218 566 R C 0.839 176.905 176.300 -0.391 0.000 1.074 566 R CA 1.149 57.098 56.100 -0.253 0.000 0.991 566 R CB 0.252 30.282 30.300 -0.450 0.000 0.883 566 R HN 0.285 nan 8.270 nan 0.000 0.457 567 Y N -2.078 118.178 120.300 -0.073 0.000 2.558 567 Y HA 0.205 4.755 4.550 -0.000 0.000 0.273 567 Y C 0.105 175.819 175.900 -0.312 0.000 1.100 567 Y CA -0.222 57.735 58.100 -0.238 0.000 1.276 567 Y CB 0.415 38.567 38.460 -0.514 0.000 1.196 567 Y HN -0.174 nan 8.280 nan 0.000 0.527 568 F N -0.147 119.916 119.950 0.188 0.000 2.399 568 F HA 0.260 4.787 4.527 -0.000 0.000 0.334 568 F C 0.834 176.642 175.800 0.014 0.000 1.097 568 F CA -0.809 57.262 58.000 0.118 0.000 1.076 568 F CB 1.315 40.389 39.000 0.123 0.000 1.162 568 F HN -0.195 nan 8.300 nan 0.000 0.495 569 L N 1.827 123.147 121.223 0.162 0.000 2.179 569 L HA 0.206 4.546 4.340 -0.000 0.000 0.208 569 L C -0.370 176.214 176.870 -0.476 0.000 1.096 569 L CA 1.586 56.337 54.840 -0.148 0.000 0.779 569 L CB -0.294 41.688 42.059 -0.128 0.000 0.922 569 L HN 0.400 nan 8.230 nan 0.000 0.443 570 F N 0.000 120.038 119.950 0.146 0.000 2.286 570 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 570 F CA 0.000 58.051 58.000 0.085 0.000 1.383 570 F CB 0.000 39.030 39.000 0.051 0.000 1.145 570 F HN 0.000 nan 8.300 nan 0.000 0.574