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 1mw2_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPNSQYLKTR ILDIYTPEQR AGIEKSEDWR QFSRRMDTHF PKLMNELDSV DATA SEQUENCE YGNNEALLPM LEMLLAQAWQ SYSQRNSSLK DIDIARENNP DWILSNKQVG DATA SEQUENCE GVCYVDLFAG DLKGLKDKIP YFQELGLTYL HLMPLFKCPE GKSDGGYAVS DATA SEQUENCE SYRDVNPALG TIGDLREVIA ALHEAGISAV VDFIFNHTSN EHEWAQRCAA DATA SEQUENCE GDPLFDNFYY IFPDRRMPDQ YDRTLREIFP DQHPGGFSQL EDGRWVWTTF DATA SEQUENCE NSFQWDLNYS NPWVFRAMAG EMLFLANLGV DILRMDAVAF IWKQMGTSCE DATA SEQUENCE NLPQAHALIR AFNAVMRIAA PAVFFKSEAI VHPDQVVQYI GQDECQIGYN DATA SEQUENCE PLQMALLWNT LATREVNLLH QALTYRHNLP EHTAWVNYVR SHDDIGWTFA DATA SEQUENCE DEDAAYLGIS GYDHRQFLNR FFVNRFDGSF ARGVPFQYNP STGDCRVSGT DATA SEQUENCE AAALVGLAQD DPHAVDRIKL LYSIALSTGG LPLIYLGDEV GTLNDDDWSQ DATA SEQUENCE DSNKSDDSRW AHRPRYNEAL YAQRNDPSTA AGQIYQDLRH MIAVRQSNPR DATA SEQUENCE FDGGRLVTFN TNNKHIIGYI RNNALLAFGN FSEYPQTVTA HTLQAMPFKA DATA SEQUENCE HDLIGGKTVS LNQDLTLQPY QVMWLEIA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.632 174.600 0.053 0.000 1.055 1 S CA 0.000 58.216 58.200 0.027 0.000 1.107 1 S CB 0.000 63.218 63.200 0.030 0.000 0.593 2 P HA 0.402 nan 4.420 nan 0.000 0.273 2 P C -0.970 176.471 177.300 0.236 0.000 1.250 2 P CA -0.337 62.829 63.100 0.110 0.000 0.793 2 P CB 0.089 31.915 31.700 0.209 0.000 1.011 3 N N -2.215 116.599 118.700 0.190 0.000 2.453 3 N HA 0.193 4.933 4.740 0.001 0.000 0.290 3 N C 0.830 176.319 175.510 -0.035 0.000 1.250 3 N CA -0.750 52.416 53.050 0.193 0.000 0.815 3 N CB 0.823 39.385 38.487 0.125 0.000 1.381 3 N HN 0.248 nan 8.380 nan 0.000 0.510 4 S N -0.727 114.913 115.700 -0.100 0.000 2.359 4 S HA -0.240 4.231 4.470 0.001 0.000 0.223 4 S C 1.501 175.999 174.600 -0.170 0.000 1.039 4 S CA 1.485 59.496 58.200 -0.315 0.000 1.042 4 S CB -0.444 62.690 63.200 -0.111 0.000 0.915 4 S HN 0.589 nan 8.310 nan 0.000 0.439 5 Q N -0.247 119.528 119.800 -0.041 0.000 2.061 5 Q HA -0.120 4.220 4.340 0.001 0.000 0.204 5 Q C 1.878 177.898 176.000 0.033 0.000 0.984 5 Q CA 1.783 57.590 55.803 0.007 0.000 0.846 5 Q CB -1.067 27.693 28.738 0.037 0.000 0.902 5 Q HN 0.820 nan 8.270 nan 0.000 0.421 6 Y N 1.327 121.595 120.300 -0.052 0.000 2.097 6 Y HA -0.216 4.334 4.550 0.001 0.000 0.282 6 Y C 2.095 177.971 175.900 -0.041 0.000 1.152 6 Y CA 1.523 59.602 58.100 -0.035 0.000 1.136 6 Y CB -0.508 37.934 38.460 -0.029 0.000 0.975 6 Y HN 0.028 nan 8.280 nan 0.000 0.498 7 L N 0.000 121.086 121.223 -0.229 0.000 2.131 7 L HA -0.230 4.111 4.340 0.001 0.000 0.210 7 L C 2.427 179.205 176.870 -0.152 0.000 1.092 7 L CA 1.630 56.298 54.840 -0.287 0.000 0.759 7 L CB -0.546 41.339 42.059 -0.290 0.000 0.903 7 L HN 0.183 nan 8.230 nan 0.000 0.435 8 K N -0.267 120.095 120.400 -0.063 0.000 2.097 8 K HA -0.142 4.179 4.320 0.001 0.000 0.205 8 K C 2.219 178.883 176.600 0.107 0.000 1.050 8 K CA 1.876 58.256 56.287 0.155 0.000 0.938 8 K CB -0.340 32.289 32.500 0.215 0.000 0.718 8 K HN 0.481 nan 8.250 nan 0.000 0.442 9 T N -0.245 114.295 114.554 -0.024 0.000 2.708 9 T HA -0.158 4.193 4.350 0.001 0.000 0.266 9 T C 1.939 176.569 174.700 -0.116 0.000 1.037 9 T CA 0.912 62.969 62.100 -0.071 0.000 1.146 9 T CB -0.268 68.552 68.868 -0.079 0.000 0.865 9 T HN 0.175 nan 8.240 nan 0.000 0.435 10 R N 0.682 121.061 120.500 -0.202 0.000 2.120 10 R HA 0.135 4.475 4.340 0.001 0.000 0.234 10 R C 2.576 178.832 176.300 -0.073 0.000 1.123 10 R CA 1.398 57.392 56.100 -0.178 0.000 0.975 10 R CB -0.632 29.491 30.300 -0.294 0.000 0.866 10 R HN 0.459 nan 8.270 nan 0.000 0.446 11 I N 0.980 121.539 120.570 -0.018 0.000 2.361 11 I HA -0.253 3.918 4.170 0.001 0.000 0.251 11 I C 1.894 178.021 176.117 0.016 0.000 1.133 11 I CA 1.243 62.582 61.300 0.064 0.000 1.413 11 I CB -0.115 38.009 38.000 0.206 0.000 1.073 11 I HN 0.148 nan 8.210 nan 0.000 0.424 12 L N -0.106 121.070 121.223 -0.079 0.000 2.492 12 L HA -0.072 4.269 4.340 0.001 0.000 0.223 12 L C 1.418 178.304 176.870 0.026 0.000 1.132 12 L CA 0.384 55.176 54.840 -0.080 0.000 0.850 12 L CB -0.485 41.378 42.059 -0.327 0.000 0.966 12 L HN 0.190 nan 8.230 nan 0.000 0.454 13 D N 0.977 121.360 120.400 -0.029 0.000 2.378 13 D HA -0.097 4.544 4.640 0.001 0.000 0.222 13 D C 2.027 178.295 176.300 -0.052 0.000 0.980 13 D CA 0.999 54.980 54.000 -0.032 0.000 0.907 13 D CB 0.174 40.949 40.800 -0.042 0.000 0.899 13 D HN 0.564 nan 8.370 nan 0.000 0.527 14 I N -3.072 117.426 120.570 -0.120 0.000 3.251 14 I HA -0.007 4.164 4.170 0.001 0.000 0.277 14 I C 0.090 176.017 176.117 -0.315 0.000 1.268 14 I CA 0.082 61.237 61.300 -0.241 0.000 1.449 14 I CB -0.280 37.510 38.000 -0.350 0.000 1.083 14 I HN -0.270 nan 8.210 nan 0.000 0.464 15 Y N 2.785 123.061 120.300 -0.039 0.000 2.323 15 Y HA 0.363 4.914 4.550 0.001 0.000 0.331 15 Y C 1.408 177.280 175.900 -0.046 0.000 1.092 15 Y CA -0.905 57.170 58.100 -0.041 0.000 1.150 15 Y CB 0.961 39.381 38.460 -0.068 0.000 1.200 15 Y HN 0.036 nan 8.280 nan 0.000 0.472 16 T N 0.138 114.764 114.554 0.119 0.000 2.795 16 T HA 0.029 4.379 4.350 0.001 0.000 0.314 16 T C -1.885 172.842 174.700 0.046 0.000 1.069 16 T CA -1.271 60.863 62.100 0.056 0.000 1.071 16 T CB 0.610 69.504 68.868 0.042 0.000 0.988 16 T HN 0.388 nan 8.240 nan 0.000 0.543 17 P HA -0.150 nan 4.420 nan 0.000 0.216 17 P C 1.569 178.861 177.300 -0.013 0.000 1.157 17 P CA 1.353 64.451 63.100 -0.003 0.000 0.880 17 P CB 0.050 31.747 31.700 -0.005 0.000 0.791 18 E N -0.329 119.869 120.200 -0.004 0.000 2.051 18 E HA -0.253 4.098 4.350 0.001 0.000 0.192 18 E C 2.029 178.615 176.600 -0.025 0.000 0.991 18 E CA 1.262 57.655 56.400 -0.011 0.000 0.799 18 E CB -0.260 29.439 29.700 -0.001 0.000 0.748 18 E HN 0.286 nan 8.360 nan 0.000 0.449 19 Q N 0.181 119.980 119.800 -0.002 0.000 2.020 19 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 19 Q C 2.459 178.368 176.000 -0.151 0.000 0.982 19 Q CA 1.099 56.886 55.803 -0.028 0.000 0.838 19 Q CB -0.300 28.506 28.738 0.113 0.000 0.899 19 Q HN 0.153 nan 8.270 nan 0.000 0.423 20 R N 0.514 120.951 120.500 -0.104 0.000 2.134 20 R HA -0.257 4.083 4.340 0.001 0.000 0.248 20 R C 2.187 178.339 176.300 -0.248 0.000 1.143 20 R CA 1.665 57.641 56.100 -0.207 0.000 0.957 20 R CB -0.518 29.723 30.300 -0.097 0.000 0.867 20 R HN 0.325 nan 8.270 nan 0.000 0.441 21 A N -0.163 122.567 122.820 -0.151 0.000 1.892 21 A HA -0.146 4.175 4.320 0.001 0.000 0.218 21 A C 2.386 179.887 177.584 -0.139 0.000 1.188 21 A CA 2.101 54.063 52.037 -0.125 0.000 0.631 21 A CB -1.263 17.692 19.000 -0.074 0.000 0.822 21 A HN 0.570 nan 8.150 nan 0.000 0.447 22 G N -0.109 108.611 108.800 -0.134 0.000 2.421 22 G HA2 -0.147 3.813 3.960 0.001 0.000 0.216 22 G HA3 -0.147 3.813 3.960 0.001 0.000 0.216 22 G C 1.421 176.230 174.900 -0.153 0.000 1.171 22 G CA 1.072 46.104 45.100 -0.113 0.000 0.775 22 G HN 0.357 nan 8.290 nan 0.000 0.543 23 I N 1.441 121.839 120.570 -0.287 0.000 2.118 23 I HA -0.173 3.998 4.170 0.001 0.000 0.241 23 I C 2.567 178.472 176.117 -0.353 0.000 1.070 23 I CA 1.328 62.406 61.300 -0.370 0.000 1.327 23 I CB -1.285 36.251 38.000 -0.774 0.000 1.034 23 I HN 0.360 nan 8.210 nan 0.000 0.405 24 E N 0.517 120.444 120.200 -0.454 0.000 2.333 24 E HA -0.194 4.157 4.350 0.001 0.000 0.198 24 E C 1.713 178.297 176.600 -0.028 0.000 1.007 24 E CA 0.674 56.864 56.400 -0.349 0.000 0.845 24 E CB 0.067 29.590 29.700 -0.295 0.000 0.766 24 E HN 0.435 nan 8.360 nan 0.000 0.507 25 K N 0.454 120.835 120.400 -0.032 0.000 2.352 25 K HA 0.054 4.375 4.320 0.001 0.000 0.194 25 K C 1.085 177.729 176.600 0.074 0.000 1.038 25 K CA 0.161 56.465 56.287 0.028 0.000 1.023 25 K CB 0.241 32.740 32.500 -0.002 0.000 0.840 25 K HN 0.033 nan 8.250 nan 0.000 0.519 26 S N 1.235 116.993 115.700 0.096 0.000 2.579 26 S HA 0.049 4.520 4.470 0.001 0.000 0.275 26 S C 1.289 176.012 174.600 0.206 0.000 1.345 26 S CA -0.357 57.929 58.200 0.144 0.000 1.031 26 S CB 1.672 64.974 63.200 0.169 0.000 0.892 26 S HN 0.134 nan 8.310 nan 0.000 0.529 27 E N 1.573 121.878 120.200 0.174 0.000 2.058 27 E HA -0.192 4.159 4.350 0.001 0.000 0.194 27 E C 1.197 177.960 176.600 0.272 0.000 0.997 27 E CA 2.088 58.595 56.400 0.178 0.000 0.801 27 E CB -0.550 29.230 29.700 0.132 0.000 0.746 27 E HN 0.771 nan 8.360 nan 0.000 0.450 28 D N -0.220 120.389 120.400 0.347 0.000 2.116 28 D HA -0.205 4.436 4.640 0.001 0.000 0.193 28 D C 1.604 178.324 176.300 0.700 0.000 0.998 28 D CA 1.241 55.579 54.000 0.564 0.000 0.836 28 D CB -0.690 40.417 40.800 0.513 0.000 0.951 28 D HN 0.421 nan 8.370 nan 0.000 0.449 29 W N 1.898 123.419 121.300 0.368 0.000 2.381 29 W HA -0.130 4.531 4.660 0.001 0.000 0.301 29 W C 2.191 178.774 176.519 0.108 0.000 1.205 29 W CA 0.710 58.090 57.345 0.057 0.000 1.285 29 W CB -0.145 29.193 29.460 -0.205 0.000 1.133 29 W HN -0.070 nan 8.180 nan 0.000 0.521 30 R N 0.381 120.969 120.500 0.147 0.000 2.094 30 R HA -0.217 4.124 4.340 0.001 0.000 0.239 30 R C 2.207 178.471 176.300 -0.060 0.000 1.137 30 R CA 1.887 58.005 56.100 0.030 0.000 0.943 30 R CB -0.672 29.686 30.300 0.098 0.000 0.850 30 R HN 0.282 nan 8.270 nan 0.000 0.433 31 Q N -0.626 119.197 119.800 0.037 0.000 2.084 31 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 31 Q C 1.978 177.880 176.000 -0.163 0.000 0.978 31 Q CA 1.319 57.115 55.803 -0.012 0.000 0.844 31 Q CB -0.464 28.346 28.738 0.120 0.000 0.898 31 Q HN 0.322 nan 8.270 nan 0.000 0.426 32 F N 1.460 121.211 119.950 -0.330 0.000 2.102 32 F HA -0.221 4.306 4.527 0.001 0.000 0.298 32 F C 2.685 178.145 175.800 -0.567 0.000 1.105 32 F CA 1.670 59.383 58.000 -0.478 0.000 1.239 32 F CB -0.361 38.439 39.000 -0.334 0.000 0.991 32 F HN -0.006 nan 8.300 nan 0.000 0.474 33 S N 0.211 115.482 115.700 -0.714 0.000 2.356 33 S HA -0.264 4.206 4.470 0.001 0.000 0.223 33 S C 2.383 176.715 174.600 -0.445 0.000 1.032 33 S CA 1.558 59.329 58.200 -0.714 0.000 1.005 33 S CB -0.559 62.240 63.200 -0.668 0.000 0.867 33 S HN 0.551 nan 8.310 nan 0.000 0.449 34 R N 0.329 120.637 120.500 -0.320 0.000 2.091 34 R HA -0.037 4.304 4.340 0.001 0.000 0.238 34 R C 2.481 178.637 176.300 -0.240 0.000 1.136 34 R CA 1.606 57.572 56.100 -0.222 0.000 0.959 34 R CB -0.247 29.964 30.300 -0.148 0.000 0.856 34 R HN 0.357 nan 8.270 nan 0.000 0.437 35 R N -0.469 119.868 120.500 -0.272 0.000 2.115 35 R HA -0.011 4.329 4.340 0.001 0.000 0.230 35 R C 2.415 178.586 176.300 -0.215 0.000 1.111 35 R CA 1.258 57.256 56.100 -0.170 0.000 0.976 35 R CB -0.127 30.077 30.300 -0.160 0.000 0.870 35 R HN 0.250 nan 8.270 nan 0.000 0.445 36 M N 0.863 120.201 119.600 -0.438 0.000 2.067 36 M HA -0.168 4.313 4.480 0.001 0.000 0.260 36 M C 1.291 177.495 176.300 -0.161 0.000 1.069 36 M CA 1.728 56.801 55.300 -0.378 0.000 1.117 36 M CB -0.672 31.564 32.600 -0.607 0.000 1.334 36 M HN 0.044 nan 8.290 nan 0.000 0.407 37 D N -0.462 119.821 120.400 -0.195 0.000 2.144 37 D HA -0.110 4.531 4.640 0.001 0.000 0.199 37 D C 1.909 178.127 176.300 -0.137 0.000 0.984 37 D CA 1.582 55.511 54.000 -0.120 0.000 0.834 37 D CB -0.384 40.339 40.800 -0.128 0.000 0.955 37 D HN 0.341 nan 8.370 nan 0.000 0.465 38 T N -0.200 114.204 114.554 -0.251 0.000 2.896 38 T HA -0.064 4.287 4.350 0.001 0.000 0.263 38 T C 1.375 175.755 174.700 -0.534 0.000 1.050 38 T CA 0.849 62.691 62.100 -0.431 0.000 1.140 38 T CB 0.020 68.506 68.868 -0.636 0.000 0.877 38 T HN 0.336 nan 8.240 nan 0.000 0.457 39 H N -1.137 117.887 119.070 -0.077 0.000 2.874 39 H HA 0.293 4.850 4.556 0.001 0.000 0.264 39 H C 1.690 176.993 175.328 -0.041 0.000 1.007 39 H CA -0.279 55.727 56.048 -0.071 0.000 1.207 39 H CB -0.088 29.619 29.762 -0.091 0.000 1.487 39 H HN 0.271 nan 8.280 nan 0.000 0.505 40 F N 3.438 123.363 119.950 -0.042 0.000 2.126 40 F HA -0.041 4.487 4.527 0.001 0.000 0.299 40 F C -0.899 174.882 175.800 -0.032 0.000 1.096 40 F CA 0.365 58.341 58.000 -0.040 0.000 1.255 40 F CB -1.031 37.930 39.000 -0.064 0.000 0.997 40 F HN 0.033 nan 8.300 nan 0.000 0.479 41 P HA -0.241 nan 4.420 nan 0.000 0.216 41 P C 1.333 178.456 177.300 -0.296 0.000 1.157 41 P CA 2.504 65.450 63.100 -0.256 0.000 0.880 41 P CB -0.113 31.525 31.700 -0.104 0.000 0.791 42 K N -1.184 119.097 120.400 -0.200 0.000 2.025 42 K HA -0.130 4.191 4.320 0.001 0.000 0.207 42 K C 2.023 178.497 176.600 -0.209 0.000 1.049 42 K CA 1.029 57.221 56.287 -0.157 0.000 0.933 42 K CB -0.954 31.505 32.500 -0.070 0.000 0.714 42 K HN 0.044 nan 8.250 nan 0.000 0.438 43 L N 1.211 122.286 121.223 -0.246 0.000 1.989 43 L HA -0.201 4.139 4.340 0.001 0.000 0.211 43 L C 2.386 179.043 176.870 -0.355 0.000 1.071 43 L CA 1.715 56.411 54.840 -0.240 0.000 0.749 43 L CB -0.491 41.474 42.059 -0.157 0.000 0.890 43 L HN 0.150 nan 8.230 nan 0.000 0.431 44 M N 0.064 119.285 119.600 -0.631 0.000 2.065 44 M HA -0.248 4.233 4.480 0.001 0.000 0.259 44 M C 2.120 178.237 176.300 -0.304 0.000 1.069 44 M CA 2.304 57.285 55.300 -0.531 0.000 1.110 44 M CB -0.861 31.276 32.600 -0.770 0.000 1.328 44 M HN 0.518 nan 8.290 nan 0.000 0.405 45 N N -0.197 118.334 118.700 -0.283 0.000 2.069 45 N HA -0.201 4.540 4.740 0.001 0.000 0.191 45 N C 1.527 176.926 175.510 -0.185 0.000 1.031 45 N CA 2.020 54.952 53.050 -0.195 0.000 0.852 45 N CB -0.178 38.208 38.487 -0.167 0.000 1.018 45 N HN 0.430 nan 8.380 nan 0.000 0.423 46 E N 0.320 120.403 120.200 -0.196 0.000 2.047 46 E HA -0.126 4.225 4.350 0.001 0.000 0.191 46 E C 2.211 178.663 176.600 -0.246 0.000 0.987 46 E CA 0.682 56.964 56.400 -0.198 0.000 0.799 46 E CB -0.450 29.150 29.700 -0.167 0.000 0.752 46 E HN 0.478 nan 8.360 nan 0.000 0.449 47 L N 1.413 122.484 121.223 -0.254 0.000 2.046 47 L HA -0.193 4.148 4.340 0.001 0.000 0.208 47 L C 2.525 179.314 176.870 -0.135 0.000 1.077 47 L CA 1.452 56.158 54.840 -0.223 0.000 0.747 47 L CB -0.444 41.487 42.059 -0.213 0.000 0.896 47 L HN 0.155 nan 8.230 nan 0.000 0.432 48 D N -0.155 120.164 120.400 -0.134 0.000 2.144 48 D HA -0.201 4.440 4.640 0.001 0.000 0.199 48 D C 2.197 178.414 176.300 -0.138 0.000 0.984 48 D CA 1.664 55.605 54.000 -0.099 0.000 0.834 48 D CB 0.224 40.967 40.800 -0.095 0.000 0.955 48 D HN 0.353 nan 8.370 nan 0.000 0.465 49 S N -0.432 115.158 115.700 -0.182 0.000 2.442 49 S HA -0.098 4.373 4.470 0.001 0.000 0.236 49 S C 2.108 176.530 174.600 -0.296 0.000 1.007 49 S CA 1.139 59.216 58.200 -0.206 0.000 0.965 49 S CB -0.132 62.946 63.200 -0.204 0.000 0.773 49 S HN 0.171 nan 8.310 nan 0.000 0.504 50 V N -0.451 119.219 119.914 -0.405 0.000 2.581 50 V HA 0.154 4.275 4.120 0.001 0.000 0.240 50 V C 1.812 177.535 176.094 -0.619 0.000 1.054 50 V CA 0.956 62.849 62.300 -0.677 0.000 1.076 50 V CB -0.634 30.585 31.823 -1.008 0.000 0.748 50 V HN 0.507 nan 8.190 nan 0.000 0.474 51 Y N 0.578 120.778 120.300 -0.167 0.000 2.497 51 Y HA 0.495 5.046 4.550 0.001 0.000 0.265 51 Y C 1.796 177.658 175.900 -0.063 0.000 1.111 51 Y CA 0.324 58.371 58.100 -0.089 0.000 1.288 51 Y CB -0.344 38.045 38.460 -0.119 0.000 1.082 51 Y HN 0.317 nan 8.280 nan 0.000 0.536 52 G N 1.166 109.983 108.800 0.028 0.000 2.550 52 G HA2 -0.353 3.608 3.960 0.001 0.000 0.277 52 G HA3 -0.353 3.608 3.960 0.001 0.000 0.277 52 G C 0.391 175.306 174.900 0.026 0.000 1.190 52 G CA 0.304 45.410 45.100 0.010 0.000 0.971 52 G HN 0.334 nan 8.290 nan 0.000 0.559 53 N N 2.181 120.895 118.700 0.025 0.000 2.410 53 N HA 0.033 4.774 4.740 0.001 0.000 0.231 53 N C 0.533 176.059 175.510 0.028 0.000 1.172 53 N CA 0.228 53.290 53.050 0.020 0.000 0.849 53 N CB -0.477 38.020 38.487 0.016 0.000 1.116 53 N HN 0.600 nan 8.380 nan 0.000 0.485 54 N N 1.496 120.219 118.700 0.039 0.000 2.440 54 N HA -0.077 4.664 4.740 0.001 0.000 0.265 54 N C 1.049 176.554 175.510 -0.008 0.000 1.239 54 N CA -0.367 52.701 53.050 0.029 0.000 0.909 54 N CB 0.750 39.259 38.487 0.038 0.000 1.066 54 N HN 0.143 nan 8.380 nan 0.000 0.474 55 E N 3.392 123.600 120.200 0.013 0.000 2.187 55 E HA -0.244 4.106 4.350 0.001 0.000 0.199 55 E C 1.384 177.988 176.600 0.006 0.000 1.004 55 E CA 1.711 58.124 56.400 0.022 0.000 0.813 55 E CB -0.371 29.358 29.700 0.048 0.000 0.736 55 E HN 0.588 nan 8.360 nan 0.000 0.468 56 A N 0.315 123.111 122.820 -0.041 0.000 2.169 56 A HA 0.152 4.472 4.320 0.001 0.000 0.212 56 A C 1.976 179.346 177.584 -0.357 0.000 1.153 56 A CA 0.624 52.580 52.037 -0.135 0.000 0.756 56 A CB -0.485 18.395 19.000 -0.200 0.000 0.813 56 A HN 0.264 nan 8.150 nan 0.000 0.471 57 L N -0.521 120.542 121.223 -0.266 0.000 1.989 57 L HA -0.152 4.188 4.340 0.001 0.000 0.211 57 L C 2.225 178.994 176.870 -0.169 0.000 1.071 57 L CA 2.182 56.858 54.840 -0.273 0.000 0.749 57 L CB -0.607 41.369 42.059 -0.137 0.000 0.890 57 L HN 0.367 nan 8.230 nan 0.000 0.431 58 L N -0.063 121.124 121.223 -0.060 0.000 1.994 58 L HA -0.075 4.265 4.340 0.001 0.000 0.208 58 L C -0.481 176.409 176.870 0.034 0.000 1.071 58 L CA 2.017 56.869 54.840 0.020 0.000 0.745 58 L CB -1.850 40.243 42.059 0.058 0.000 0.892 58 L HN 0.170 nan 8.230 nan 0.000 0.431 59 P HA -0.194 nan 4.420 nan 0.000 0.216 59 P C 1.989 179.369 177.300 0.133 0.000 1.150 59 P CA 1.452 64.637 63.100 0.142 0.000 0.837 59 P CB -0.285 31.563 31.700 0.247 0.000 0.786 60 M N -0.956 118.509 119.600 -0.224 0.000 2.175 60 M HA -0.107 4.374 4.480 0.001 0.000 0.264 60 M C 1.797 178.058 176.300 -0.066 0.000 1.063 60 M CA 1.740 56.759 55.300 -0.470 0.000 1.119 60 M CB -1.305 30.618 32.600 -1.128 0.000 1.377 60 M HN -0.082 nan 8.290 nan 0.000 0.415 61 L N 1.284 122.487 121.223 -0.034 0.000 2.027 61 L HA -0.143 4.198 4.340 0.001 0.000 0.206 61 L C 2.099 179.057 176.870 0.147 0.000 1.074 61 L CA 1.984 56.879 54.840 0.092 0.000 0.745 61 L CB -0.862 41.268 42.059 0.119 0.000 0.898 61 L HN 0.370 nan 8.230 nan 0.000 0.433 62 E N -1.004 119.273 120.200 0.129 0.000 2.110 62 E HA -0.282 4.068 4.350 0.001 0.000 0.193 62 E C 2.168 178.859 176.600 0.153 0.000 0.988 62 E CA 1.497 57.972 56.400 0.125 0.000 0.804 62 E CB -0.295 29.465 29.700 0.100 0.000 0.745 62 E HN 0.560 nan 8.360 nan 0.000 0.458 63 M N 0.897 120.605 119.600 0.180 0.000 2.086 63 M HA -0.164 4.317 4.480 0.001 0.000 0.261 63 M C 2.334 178.756 176.300 0.205 0.000 1.067 63 M CA 1.157 56.578 55.300 0.202 0.000 1.116 63 M CB -0.002 32.770 32.600 0.287 0.000 1.348 63 M HN 0.160 nan 8.290 nan 0.000 0.407 64 L N 0.828 122.179 121.223 0.214 0.000 2.083 64 L HA -0.141 4.200 4.340 0.001 0.000 0.209 64 L C 1.921 178.936 176.870 0.242 0.000 1.083 64 L CA 1.815 56.787 54.840 0.220 0.000 0.752 64 L CB -0.660 41.537 42.059 0.230 0.000 0.899 64 L HN 0.372 nan 8.230 nan 0.000 0.433 65 L N -0.819 120.553 121.223 0.249 0.000 2.156 65 L HA -0.079 4.262 4.340 0.001 0.000 0.208 65 L C 2.643 179.711 176.870 0.331 0.000 1.095 65 L CA 0.879 55.902 54.840 0.306 0.000 0.770 65 L CB -0.869 41.343 42.059 0.255 0.000 0.914 65 L HN 0.352 nan 8.230 nan 0.000 0.439 66 A N -0.157 122.817 122.820 0.256 0.000 1.902 66 A HA -0.234 4.087 4.320 0.001 0.000 0.217 66 A C 2.241 179.969 177.584 0.239 0.000 1.181 66 A CA 1.458 53.646 52.037 0.252 0.000 0.623 66 A CB -0.387 18.718 19.000 0.175 0.000 0.818 66 A HN 0.476 nan 8.150 nan 0.000 0.443 67 Q N -0.539 119.383 119.800 0.204 0.000 2.079 67 Q HA -0.081 4.260 4.340 0.001 0.000 0.200 67 Q C 2.434 178.543 176.000 0.181 0.000 0.974 67 Q CA 1.283 57.187 55.803 0.167 0.000 0.840 67 Q CB -0.436 28.404 28.738 0.169 0.000 0.898 67 Q HN 0.663 nan 8.270 nan 0.000 0.430 68 A N 1.504 124.479 122.820 0.258 0.000 1.908 68 A HA -0.213 4.108 4.320 0.001 0.000 0.218 68 A C 1.770 179.534 177.584 0.299 0.000 1.181 68 A CA 1.340 53.572 52.037 0.326 0.000 0.627 68 A CB -1.201 18.064 19.000 0.442 0.000 0.818 68 A HN 0.753 nan 8.150 nan 0.000 0.445 69 W N 0.295 121.568 121.300 -0.044 0.000 2.378 69 W HA -0.181 4.479 4.660 0.001 0.000 0.313 69 W C 1.974 178.443 176.519 -0.084 0.000 1.197 69 W CA 1.517 58.590 57.345 -0.454 0.000 1.304 69 W CB -0.279 28.913 29.460 -0.446 0.000 1.148 69 W HN 0.356 nan 8.180 nan 0.000 0.494 70 Q N 0.588 120.196 119.800 -0.320 0.000 2.077 70 Q HA -0.229 4.112 4.340 0.001 0.000 0.206 70 Q C 2.333 178.159 176.000 -0.290 0.000 0.989 70 Q CA 2.099 57.660 55.803 -0.404 0.000 0.853 70 Q CB -1.219 27.446 28.738 -0.122 0.000 0.907 70 Q HN 0.296 nan 8.270 nan 0.000 0.418 71 S N -0.268 115.377 115.700 -0.091 0.000 2.370 71 S HA -0.191 4.280 4.470 0.001 0.000 0.226 71 S C 1.876 176.454 174.600 -0.038 0.000 1.033 71 S CA 1.121 59.312 58.200 -0.014 0.000 1.011 71 S CB -0.294 62.964 63.200 0.097 0.000 0.852 71 S HN 0.468 nan 8.310 nan 0.000 0.457 72 Y N 1.574 121.797 120.300 -0.129 0.000 2.242 72 Y HA 0.029 4.580 4.550 0.001 0.000 0.291 72 Y C 2.798 178.555 175.900 -0.238 0.000 1.137 72 Y CA 1.583 59.634 58.100 -0.082 0.000 1.181 72 Y CB -0.922 37.609 38.460 0.118 0.000 0.989 72 Y HN 0.361 nan 8.280 nan 0.000 0.527 73 S N -0.150 115.179 115.700 -0.618 0.000 2.356 73 S HA -0.264 4.207 4.470 0.001 0.000 0.223 73 S C 1.818 176.163 174.600 -0.426 0.000 1.032 73 S CA 1.911 59.683 58.200 -0.714 0.000 1.005 73 S CB -0.297 62.253 63.200 -1.082 0.000 0.867 73 S HN 0.718 nan 8.310 nan 0.000 0.449 74 Q N 0.315 119.916 119.800 -0.332 0.000 2.369 74 Q HA 0.077 4.418 4.340 0.001 0.000 0.206 74 Q C 0.965 176.850 176.000 -0.191 0.000 0.963 74 Q CA 0.188 55.867 55.803 -0.206 0.000 0.894 74 Q CB -0.098 28.558 28.738 -0.137 0.000 0.965 74 Q HN 0.420 nan 8.270 nan 0.000 0.475 75 R N 2.809 123.160 120.500 -0.248 0.000 2.537 75 R HA -0.062 4.279 4.340 0.001 0.000 0.281 75 R C 0.037 176.216 176.300 -0.201 0.000 0.988 75 R CA -0.014 55.955 56.100 -0.217 0.000 1.077 75 R CB 0.266 30.396 30.300 -0.283 0.000 0.932 75 R HN 0.140 nan 8.270 nan 0.000 0.409 76 N N 2.363 120.987 118.700 -0.127 0.000 2.458 76 N HA -0.079 4.662 4.740 0.001 0.000 0.258 76 N C 0.162 175.615 175.510 -0.095 0.000 1.219 76 N CA 0.332 53.325 53.050 -0.095 0.000 0.902 76 N CB 1.062 39.513 38.487 -0.059 0.000 1.076 76 N HN 0.569 nan 8.380 nan 0.000 0.455 77 S N 2.329 117.982 115.700 -0.080 0.000 2.387 77 S HA -0.150 4.321 4.470 0.001 0.000 0.230 77 S C 1.894 176.466 174.600 -0.047 0.000 1.035 77 S CA 1.433 59.595 58.200 -0.063 0.000 1.014 77 S CB -0.136 63.038 63.200 -0.043 0.000 0.836 77 S HN 0.675 nan 8.310 nan 0.000 0.466 78 S N 1.532 117.208 115.700 -0.039 0.000 2.368 78 S HA 0.029 4.500 4.470 0.001 0.000 0.225 78 S C 1.783 176.353 174.600 -0.050 0.000 1.030 78 S CA 0.949 59.128 58.200 -0.036 0.000 0.999 78 S CB -0.410 62.781 63.200 -0.015 0.000 0.844 78 S HN 0.401 nan 8.310 nan 0.000 0.459 79 L N 0.926 122.124 121.223 -0.042 0.000 2.093 79 L HA -0.079 4.262 4.340 0.001 0.000 0.208 79 L C 2.318 179.166 176.870 -0.037 0.000 1.085 79 L CA 1.133 55.947 54.840 -0.043 0.000 0.755 79 L CB -0.478 41.567 42.059 -0.025 0.000 0.904 79 L HN 0.243 nan 8.230 nan 0.000 0.435 80 K N -0.111 120.269 120.400 -0.034 0.000 2.148 80 K HA -0.146 4.175 4.320 0.001 0.000 0.204 80 K C 1.611 178.218 176.600 0.012 0.000 1.050 80 K CA 1.126 57.421 56.287 0.013 0.000 0.942 80 K CB -0.074 32.413 32.500 -0.023 0.000 0.724 80 K HN 0.283 nan 8.250 nan 0.000 0.446 81 D N 0.979 121.363 120.400 -0.026 0.000 2.117 81 D HA -0.095 4.546 4.640 0.001 0.000 0.198 81 D C 1.851 178.107 176.300 -0.073 0.000 0.982 81 D CA 1.009 54.986 54.000 -0.039 0.000 0.828 81 D CB -0.062 40.708 40.800 -0.050 0.000 0.967 81 D HN 0.182 nan 8.370 nan 0.000 0.464 82 I N 1.284 121.787 120.570 -0.111 0.000 2.361 82 I HA -0.214 3.957 4.170 0.001 0.000 0.251 82 I C 1.787 177.817 176.117 -0.145 0.000 1.133 82 I CA 0.821 62.012 61.300 -0.182 0.000 1.413 82 I CB -0.132 37.718 38.000 -0.249 0.000 1.073 82 I HN -0.142 nan 8.210 nan 0.000 0.424 83 D N 1.242 121.607 120.400 -0.058 0.000 2.097 83 D HA -0.138 4.503 4.640 0.001 0.000 0.195 83 D C 2.279 178.574 176.300 -0.008 0.000 0.989 83 D CA 1.426 55.425 54.000 -0.003 0.000 0.827 83 D CB -0.160 40.695 40.800 0.092 0.000 0.966 83 D HN 0.328 nan 8.370 nan 0.000 0.456 84 I N 1.183 121.751 120.570 -0.002 0.000 2.179 84 I HA -0.244 3.927 4.170 0.001 0.000 0.242 84 I C 2.521 178.619 176.117 -0.031 0.000 1.088 84 I CA 0.957 62.255 61.300 -0.003 0.000 1.357 84 I CB -0.238 37.766 38.000 0.007 0.000 1.051 84 I HN -0.084 nan 8.210 nan 0.000 0.409 85 A N 0.998 123.777 122.820 -0.069 0.000 1.865 85 A HA -0.229 4.092 4.320 0.001 0.000 0.217 85 A C 2.400 179.919 177.584 -0.107 0.000 1.191 85 A CA 1.719 53.699 52.037 -0.095 0.000 0.623 85 A CB -0.624 18.288 19.000 -0.146 0.000 0.826 85 A HN 0.327 nan 8.150 nan 0.000 0.444 86 R N -0.735 119.667 120.500 -0.163 0.000 2.148 86 R HA -0.050 4.291 4.340 0.001 0.000 0.223 86 R C 2.120 178.458 176.300 0.062 0.000 1.088 86 R CA 1.067 57.082 56.100 -0.140 0.000 0.985 86 R CB -0.231 29.889 30.300 -0.300 0.000 0.880 86 R HN 0.676 nan 8.270 nan 0.000 0.451 87 E N 0.601 120.822 120.200 0.034 0.000 2.058 87 E HA -0.151 4.200 4.350 0.001 0.000 0.194 87 E C 1.129 177.749 176.600 0.034 0.000 0.997 87 E CA 0.982 57.407 56.400 0.042 0.000 0.801 87 E CB 0.035 29.747 29.700 0.019 0.000 0.746 87 E HN 0.324 nan 8.360 nan 0.000 0.450 88 N N 0.690 119.401 118.700 0.017 0.000 2.336 88 N HA -0.044 4.697 4.740 0.001 0.000 0.189 88 N C -0.025 175.501 175.510 0.027 0.000 1.113 88 N CA 0.279 53.336 53.050 0.012 0.000 0.858 88 N CB 0.336 38.825 38.487 0.003 0.000 0.970 88 N HN 0.006 nan 8.380 nan 0.000 0.471 89 N N 0.647 119.381 118.700 0.057 0.000 2.711 89 N HA 0.168 4.909 4.740 0.001 0.000 0.263 89 N C -2.077 173.568 175.510 0.225 0.000 1.667 89 N CA -1.554 51.557 53.050 0.102 0.000 0.785 89 N CB 0.994 39.528 38.487 0.078 0.000 1.231 89 N HN -0.116 nan 8.380 nan 0.000 0.503 90 P HA -0.027 nan 4.420 nan 0.000 0.222 90 P C -0.185 177.300 177.300 0.308 0.000 1.147 90 P CA 0.991 64.272 63.100 0.301 0.000 0.790 90 P CB 0.477 32.164 31.700 -0.022 0.000 0.780 91 D N -0.815 119.721 120.400 0.228 0.000 2.325 91 D HA -0.031 4.610 4.640 0.001 0.000 0.225 91 D C 1.775 178.096 176.300 0.035 0.000 1.096 91 D CA -0.067 54.010 54.000 0.128 0.000 0.844 91 D CB -0.850 40.038 40.800 0.146 0.000 0.925 91 D HN 0.397 nan 8.370 nan 0.000 0.513 92 W N 1.660 122.928 121.300 -0.053 0.000 2.331 92 W HA -0.189 4.472 4.660 0.001 0.000 0.291 92 W C 1.398 177.860 176.519 -0.095 0.000 1.214 92 W CA 0.595 57.882 57.345 -0.097 0.000 1.228 92 W CB -1.202 28.153 29.460 -0.174 0.000 1.135 92 W HN 0.101 nan 8.180 nan 0.000 0.537 93 I N -0.933 119.001 120.570 -1.060 0.000 2.756 93 I HA -0.091 4.080 4.170 0.001 0.000 0.262 93 I C 2.010 177.882 176.117 -0.407 0.000 1.225 93 I CA 1.142 61.848 61.300 -0.990 0.000 1.472 93 I CB -0.773 36.653 38.000 -0.957 0.000 1.094 93 I HN -0.071 nan 8.210 nan 0.000 0.454 94 L N 0.762 121.842 121.223 -0.238 0.000 2.607 94 L HA 0.188 4.528 4.340 0.001 0.000 0.228 94 L C 1.353 178.189 176.870 -0.056 0.000 1.123 94 L CA -0.151 54.620 54.840 -0.116 0.000 0.890 94 L CB 0.055 42.071 42.059 -0.071 0.000 1.103 94 L HN 0.207 nan 8.230 nan 0.000 0.468 95 S N 1.105 116.778 115.700 -0.044 0.000 2.549 95 S HA -0.051 4.420 4.470 0.001 0.000 0.286 95 S C 1.524 176.125 174.600 0.002 0.000 1.314 95 S CA -0.459 57.744 58.200 0.004 0.000 1.062 95 S CB 0.408 63.631 63.200 0.039 0.000 0.865 95 S HN 0.470 nan 8.310 nan 0.000 0.498 96 N N 5.102 123.816 118.700 0.024 0.000 2.453 96 N HA -0.109 4.632 4.740 0.001 0.000 0.183 96 N C 0.921 176.431 175.510 -0.000 0.000 1.041 96 N CA 0.711 53.776 53.050 0.025 0.000 0.900 96 N CB -0.132 38.399 38.487 0.073 0.000 0.961 96 N HN 0.599 nan 8.380 nan 0.000 0.443 97 K N 0.048 120.457 120.400 0.015 0.000 2.283 97 K HA 0.015 4.336 4.320 0.001 0.000 0.202 97 K C 0.317 176.928 176.600 0.019 0.000 1.048 97 K CA 0.497 56.795 56.287 0.018 0.000 0.948 97 K CB 0.063 32.586 32.500 0.038 0.000 0.742 97 K HN 0.350 nan 8.250 nan 0.000 0.458 98 Q N 1.079 120.886 119.800 0.012 0.000 2.286 98 Q HA 0.217 4.557 4.340 0.001 0.000 0.257 98 Q C -0.591 175.389 176.000 -0.034 0.000 0.941 98 Q CA 0.037 55.846 55.803 0.009 0.000 0.912 98 Q CB 1.669 30.397 28.738 -0.016 0.000 1.192 98 Q HN -0.162 nan 8.270 nan 0.000 0.410 99 V N 1.448 121.347 119.914 -0.024 0.000 2.655 99 V HA 0.626 4.747 4.120 0.001 0.000 0.301 99 V C 0.067 176.128 176.094 -0.056 0.000 1.082 99 V CA -0.841 61.427 62.300 -0.054 0.000 0.899 99 V CB 2.146 33.953 31.823 -0.026 0.000 1.014 99 V HN 0.846 nan 8.190 nan 0.000 0.429 100 G N 2.149 110.844 108.800 -0.176 0.000 2.489 100 G HA2 0.845 4.806 3.960 0.001 0.000 0.327 100 G HA3 0.845 4.806 3.960 0.001 0.000 0.327 100 G C -0.340 174.548 174.900 -0.020 0.000 1.189 100 G CA -0.318 44.701 45.100 -0.136 0.000 0.962 100 G HN 1.092 nan 8.290 nan 0.000 0.486 101 G N -2.065 106.773 108.800 0.063 0.000 2.642 101 G HA2 0.705 4.666 3.960 0.001 0.000 0.293 101 G HA3 0.705 4.666 3.960 0.001 0.000 0.293 101 G C -1.723 173.179 174.900 0.004 0.000 1.341 101 G CA -0.566 44.532 45.100 -0.003 0.000 0.916 101 G HN 1.408 nan 8.290 nan 0.000 0.474 102 V N -0.421 119.455 119.914 -0.063 0.000 2.808 102 V HA 0.764 4.884 4.120 0.001 0.000 0.308 102 V C -0.585 175.308 176.094 -0.336 0.000 1.099 102 V CA -0.233 61.984 62.300 -0.138 0.000 0.920 102 V CB 1.167 33.004 31.823 0.024 0.000 1.014 102 V HN 1.766 nan 8.190 nan 0.000 0.425 103 C N 3.585 122.639 119.300 -0.410 0.000 3.311 103 C HA 0.723 5.184 4.460 0.001 0.000 0.325 103 C C -1.383 173.443 174.990 -0.274 0.000 1.352 103 C CA -1.078 57.721 59.018 -0.364 0.000 1.308 103 C CB 1.000 28.429 27.740 -0.519 0.000 1.619 103 C HN 0.866 nan 8.230 nan 0.000 0.469 104 Y N 1.187 121.457 120.300 -0.049 0.000 2.313 104 Y HA 0.393 4.944 4.550 0.001 0.000 0.332 104 Y C 1.520 177.468 175.900 0.080 0.000 1.071 104 Y CA 0.078 58.185 58.100 0.012 0.000 1.169 104 Y CB 1.344 39.861 38.460 0.094 0.000 1.192 104 Y HN 0.597 nan 8.280 nan 0.000 0.487 105 V N 2.515 122.530 119.914 0.168 0.000 2.287 105 V HA -0.311 3.809 4.120 0.001 0.000 0.248 105 V C 1.953 178.148 176.094 0.168 0.000 1.053 105 V CA 2.360 64.748 62.300 0.146 0.000 1.027 105 V CB -0.382 31.477 31.823 0.060 0.000 0.646 105 V HN 0.930 nan 8.190 nan 0.000 0.447 106 D N 0.358 120.856 120.400 0.163 0.000 2.097 106 D HA -0.184 4.457 4.640 0.001 0.000 0.197 106 D C 2.013 178.396 176.300 0.137 0.000 0.984 106 D CA 1.500 55.571 54.000 0.117 0.000 0.826 106 D CB -0.483 40.371 40.800 0.090 0.000 0.973 106 D HN 0.447 nan 8.370 nan 0.000 0.460 107 L N -1.352 119.997 121.223 0.209 0.000 2.156 107 L HA -0.000 4.341 4.340 0.001 0.000 0.208 107 L C 2.573 179.606 176.870 0.271 0.000 1.095 107 L CA 0.662 55.629 54.840 0.212 0.000 0.770 107 L CB -0.419 41.775 42.059 0.226 0.000 0.914 107 L HN -0.068 nan 8.230 nan 0.000 0.439 108 F N 0.210 120.257 119.950 0.161 0.000 2.262 108 F HA 0.145 4.673 4.527 0.001 0.000 0.292 108 F C 1.762 177.552 175.800 -0.016 0.000 1.081 108 F CA 0.857 58.954 58.000 0.161 0.000 1.355 108 F CB 0.234 39.350 39.000 0.194 0.000 1.069 108 F HN -0.070 nan 8.300 nan 0.000 0.506 109 A N -1.191 121.689 122.820 0.100 0.000 2.543 109 A HA 0.576 4.897 4.320 0.001 0.000 0.279 109 A C 1.167 178.716 177.584 -0.059 0.000 0.917 109 A CA 0.405 52.388 52.037 -0.089 0.000 1.036 109 A CB -0.700 18.304 19.000 0.006 0.000 1.227 109 A HN 0.721 nan 8.150 nan 0.000 0.503 110 G N 0.977 109.763 108.800 -0.023 0.000 5.229 110 G HA2 -0.324 3.637 3.960 0.001 0.000 0.250 110 G HA3 -0.324 3.637 3.960 0.001 0.000 0.250 110 G C 0.130 175.029 174.900 -0.002 0.000 1.380 110 G CA 1.404 46.491 45.100 -0.022 0.000 0.933 110 G HN 1.373 nan 8.290 nan 0.000 0.731 111 D N -1.101 119.293 120.400 -0.009 0.000 2.812 111 D HA 0.596 5.237 4.640 0.001 0.000 0.318 111 D C 1.402 177.699 176.300 -0.005 0.000 1.234 111 D CA -0.274 53.721 54.000 -0.008 0.000 0.989 111 D CB -0.075 40.711 40.800 -0.024 0.000 1.442 111 D HN 0.331 nan 8.370 nan 0.000 0.537 112 L N -0.420 120.793 121.223 -0.018 0.000 2.017 112 L HA -0.106 4.234 4.340 0.001 0.000 0.208 112 L C 2.321 179.184 176.870 -0.012 0.000 1.073 112 L CA 1.364 56.194 54.840 -0.017 0.000 0.745 112 L CB -0.425 41.610 42.059 -0.039 0.000 0.894 112 L HN 0.383 nan 8.230 nan 0.000 0.432 113 K N -0.226 120.161 120.400 -0.022 0.000 2.063 113 K HA -0.146 4.175 4.320 0.001 0.000 0.208 113 K C 2.080 178.663 176.600 -0.029 0.000 1.048 113 K CA 1.323 57.595 56.287 -0.025 0.000 0.928 113 K CB -0.445 32.037 32.500 -0.030 0.000 0.713 113 K HN 0.421 nan 8.250 nan 0.000 0.442 114 G N 1.671 110.449 108.800 -0.036 0.000 2.422 114 G HA2 -0.225 3.735 3.960 0.001 0.000 0.218 114 G HA3 -0.225 3.735 3.960 0.001 0.000 0.218 114 G C 1.333 176.207 174.900 -0.042 0.000 1.146 114 G CA 0.191 45.255 45.100 -0.059 0.000 0.769 114 G HN 0.146 nan 8.290 nan 0.000 0.547 115 L N 0.820 122.054 121.223 0.018 0.000 2.046 115 L HA 0.028 4.368 4.340 0.001 0.000 0.208 115 L C 2.500 179.418 176.870 0.080 0.000 1.077 115 L CA 2.214 57.114 54.840 0.100 0.000 0.747 115 L CB -0.807 41.334 42.059 0.138 0.000 0.896 115 L HN 0.256 nan 8.230 nan 0.000 0.432 116 K N -0.276 120.147 120.400 0.039 0.000 2.103 116 K HA -0.216 4.105 4.320 0.001 0.000 0.207 116 K C 1.497 178.091 176.600 -0.010 0.000 1.048 116 K CA 1.853 58.156 56.287 0.027 0.000 0.930 116 K CB 0.036 32.538 32.500 0.004 0.000 0.716 116 K HN 0.357 nan 8.250 nan 0.000 0.444 117 D N 0.288 120.660 120.400 -0.047 0.000 2.312 117 D HA -0.087 4.554 4.640 0.001 0.000 0.211 117 D C 1.328 177.548 176.300 -0.134 0.000 0.964 117 D CA 0.775 54.726 54.000 -0.082 0.000 0.877 117 D CB 0.201 40.942 40.800 -0.099 0.000 0.924 117 D HN 0.079 nan 8.370 nan 0.000 0.515 118 K N 0.349 120.640 120.400 -0.181 0.000 2.426 118 K HA 0.163 4.484 4.320 0.001 0.000 0.193 118 K C 1.998 178.242 176.600 -0.592 0.000 1.028 118 K CA -0.175 55.892 56.287 -0.367 0.000 1.047 118 K CB 0.365 32.633 32.500 -0.387 0.000 0.821 118 K HN 0.271 nan 8.250 nan 0.000 0.513 119 I N 1.635 122.055 120.570 -0.251 0.000 2.194 119 I HA -0.240 3.931 4.170 0.001 0.000 0.246 119 I C -0.836 175.261 176.117 -0.032 0.000 1.093 119 I CA 1.426 62.711 61.300 -0.026 0.000 1.355 119 I CB -1.326 36.746 38.000 0.121 0.000 1.046 119 I HN 0.022 nan 8.210 nan 0.000 0.413 120 P HA -0.235 nan 4.420 nan 0.000 0.216 120 P C 1.599 178.920 177.300 0.035 0.000 1.150 120 P CA 1.481 64.590 63.100 0.015 0.000 0.843 120 P CB -0.154 31.552 31.700 0.011 0.000 0.787 121 Y N -0.634 119.581 120.300 -0.141 0.000 2.242 121 Y HA -0.185 4.366 4.550 0.001 0.000 0.291 121 Y C 1.861 177.816 175.900 0.091 0.000 1.137 121 Y CA 1.335 59.396 58.100 -0.065 0.000 1.181 121 Y CB -1.031 37.334 38.460 -0.158 0.000 0.989 121 Y HN -0.170 nan 8.280 nan 0.000 0.527 122 F N 0.789 120.703 119.950 -0.060 0.000 2.171 122 F HA -0.208 4.320 4.527 0.001 0.000 0.300 122 F C 2.392 178.125 175.800 -0.111 0.000 1.090 122 F CA 1.492 59.411 58.000 -0.136 0.000 1.293 122 F CB -1.208 37.797 39.000 0.009 0.000 1.013 122 F HN 0.173 nan 8.300 nan 0.000 0.486 123 Q N -0.114 119.764 119.800 0.129 0.000 2.079 123 Q HA -0.198 4.143 4.340 0.001 0.000 0.200 123 Q C 2.182 178.208 176.000 0.043 0.000 0.974 123 Q CA 1.405 57.259 55.803 0.084 0.000 0.840 123 Q CB -0.489 28.297 28.738 0.081 0.000 0.898 123 Q HN 0.502 nan 8.270 nan 0.000 0.430 124 E N 0.910 121.125 120.200 0.025 0.000 2.118 124 E HA -0.216 4.135 4.350 0.001 0.000 0.195 124 E C 1.864 178.488 176.600 0.041 0.000 0.992 124 E CA 0.799 57.233 56.400 0.056 0.000 0.804 124 E CB 0.072 29.842 29.700 0.116 0.000 0.741 124 E HN 0.222 nan 8.360 nan 0.000 0.458 125 L N -0.477 120.699 121.223 -0.078 0.000 2.240 125 L HA 0.127 4.468 4.340 0.001 0.000 0.211 125 L C 1.456 178.303 176.870 -0.038 0.000 1.106 125 L CA 2.038 56.837 54.840 -0.070 0.000 0.793 125 L CB 0.219 42.167 42.059 -0.185 0.000 0.927 125 L HN 0.309 nan 8.230 nan 0.000 0.446 126 G N -1.178 107.618 108.800 -0.006 0.000 2.168 126 G HA2 -0.191 3.770 3.960 0.001 0.000 0.197 126 G HA3 -0.191 3.770 3.960 0.001 0.000 0.197 126 G C 0.185 175.097 174.900 0.020 0.000 0.997 126 G CA 0.084 45.188 45.100 0.007 0.000 0.658 126 G HN 0.298 nan 8.290 nan 0.000 0.513 127 L N 1.075 122.318 121.223 0.033 0.000 2.461 127 L HA 0.486 4.827 4.340 0.001 0.000 0.272 127 L C 1.704 178.617 176.870 0.071 0.000 1.197 127 L CA 0.976 55.840 54.840 0.040 0.000 0.836 127 L CB 0.890 42.955 42.059 0.009 0.000 1.105 127 L HN 0.393 nan 8.230 nan 0.000 0.477 128 T N -2.108 112.504 114.554 0.098 0.000 3.144 128 T HA 0.157 4.508 4.350 0.001 0.000 0.290 128 T C -0.517 174.307 174.700 0.206 0.000 0.966 128 T CA -0.255 61.922 62.100 0.127 0.000 0.907 128 T CB 0.000 68.939 68.868 0.119 0.000 1.152 128 T HN 0.417 nan 8.240 nan 0.000 0.532 129 Y N 0.876 121.180 120.300 0.008 0.000 2.399 129 Y HA 0.685 5.235 4.550 0.001 0.000 0.327 129 Y C -2.443 173.422 175.900 -0.058 0.000 1.111 129 Y CA -2.280 55.825 58.100 0.009 0.000 1.047 129 Y CB 1.708 40.177 38.460 0.015 0.000 1.259 129 Y HN 0.217 nan 8.280 nan 0.000 0.434 130 L N 6.962 128.184 121.223 -0.002 0.000 2.439 130 L HA 0.459 4.800 4.340 0.001 0.000 0.270 130 L C -1.654 175.175 176.870 -0.069 0.000 0.972 130 L CA -0.405 54.391 54.840 -0.074 0.000 0.836 130 L CB 1.408 43.305 42.059 -0.271 0.000 1.255 130 L HN 0.845 nan 8.230 nan 0.000 0.404 131 H N 5.894 124.911 119.070 -0.088 0.000 2.519 131 H HA 0.511 5.068 4.556 0.001 0.000 0.316 131 H C -1.337 173.912 175.328 -0.133 0.000 1.065 131 H CA -0.881 55.118 56.048 -0.082 0.000 1.264 131 H CB 0.999 30.797 29.762 0.061 0.000 1.413 131 H HN 0.603 nan 8.280 nan 0.000 0.465 132 L N 5.976 127.205 121.223 0.009 0.000 2.282 132 L HA 0.233 4.574 4.340 0.001 0.000 0.288 132 L C 0.189 176.904 176.870 -0.258 0.000 1.033 132 L CA -0.933 53.805 54.840 -0.170 0.000 0.807 132 L CB 1.527 43.542 42.059 -0.075 0.000 1.209 132 L HN 0.619 nan 8.230 nan 0.000 0.423 133 M N 2.910 122.221 119.600 -0.482 0.000 2.219 133 M HA 0.167 4.648 4.480 0.001 0.000 0.307 133 M C -2.026 174.110 176.300 -0.273 0.000 1.116 133 M CA -2.030 52.948 55.300 -0.537 0.000 1.181 133 M CB -0.897 31.152 32.600 -0.918 0.000 1.410 133 M HN 0.192 nan 8.290 nan 0.000 0.454 134 P HA -0.107 nan 4.420 nan 0.000 0.255 134 P C 0.114 177.353 177.300 -0.101 0.000 1.141 134 P CA 0.792 63.764 63.100 -0.214 0.000 0.767 134 P CB -0.029 31.423 31.700 -0.412 0.000 0.726 135 L N 2.010 123.179 121.223 -0.090 0.000 2.590 135 L HA 0.222 4.563 4.340 0.001 0.000 0.227 135 L C 0.790 177.430 176.870 -0.384 0.000 1.099 135 L CA 0.004 54.689 54.840 -0.258 0.000 0.872 135 L CB -0.205 41.607 42.059 -0.411 0.000 1.088 135 L HN 0.228 nan 8.230 nan 0.000 0.479 136 F N 0.532 120.462 119.950 -0.034 0.000 2.370 136 F HA 0.277 4.804 4.527 0.001 0.000 0.319 136 F C 1.024 176.776 175.800 -0.080 0.000 1.129 136 F CA -0.895 57.077 58.000 -0.046 0.000 1.109 136 F CB 0.394 39.366 39.000 -0.047 0.000 1.262 136 F HN -0.238 nan 8.300 nan 0.000 0.534 137 K N 1.485 121.944 120.400 0.098 0.000 2.561 137 K HA 0.201 4.521 4.320 0.001 0.000 0.280 137 K C -0.550 176.025 176.600 -0.041 0.000 0.975 137 K CA 0.176 56.459 56.287 -0.006 0.000 1.024 137 K CB -0.091 32.387 32.500 -0.036 0.000 0.883 137 K HN 0.792 nan 8.250 nan 0.000 0.496 138 C N 0.575 119.841 119.300 -0.057 0.000 3.288 138 C HA 0.494 4.954 4.460 0.001 0.000 0.318 138 C C -2.987 171.945 174.990 -0.097 0.000 1.356 138 C CA -2.581 56.395 59.018 -0.070 0.000 1.359 138 C CB 0.918 28.639 27.740 -0.033 0.000 1.688 138 C HN 0.543 nan 8.230 nan 0.000 0.467 139 P HA 0.246 nan 4.420 nan 0.000 0.265 139 P C -0.379 176.831 177.300 -0.151 0.000 1.187 139 P CA 0.677 63.677 63.100 -0.166 0.000 0.766 139 P CB 0.368 31.916 31.700 -0.253 0.000 0.820 140 E N 1.152 121.277 120.200 -0.125 0.000 2.383 140 E HA 0.397 4.748 4.350 0.001 0.000 0.264 140 E C 1.388 177.914 176.600 -0.123 0.000 1.050 140 E CA 1.183 57.519 56.400 -0.106 0.000 0.896 140 E CB 0.005 29.654 29.700 -0.086 0.000 0.982 140 E HN 0.656 nan 8.360 nan 0.000 0.424 141 G N 2.932 111.665 108.800 -0.112 0.000 3.675 141 G HA2 -0.295 3.666 3.960 0.001 0.000 0.275 141 G HA3 -0.295 3.666 3.960 0.001 0.000 0.275 141 G C -0.545 174.283 174.900 -0.121 0.000 1.648 141 G CA -0.034 44.998 45.100 -0.113 0.000 1.093 141 G HN 0.442 nan 8.290 nan 0.000 0.617 142 K N 1.460 121.754 120.400 -0.178 0.000 2.265 142 K HA 0.600 4.921 4.320 0.001 0.000 0.267 142 K C 0.094 176.371 176.600 -0.539 0.000 0.994 142 K CA 0.272 56.434 56.287 -0.209 0.000 0.860 142 K CB 1.585 34.015 32.500 -0.117 0.000 1.099 142 K HN 0.766 nan 8.250 nan 0.000 0.448 143 S N 1.090 116.661 115.700 -0.214 0.000 3.082 143 S HA 0.021 4.491 4.470 0.001 0.000 0.253 143 S C -0.151 174.634 174.600 0.308 0.000 0.961 143 S CA -0.444 57.667 58.200 -0.148 0.000 1.129 143 S CB -0.085 63.084 63.200 -0.052 0.000 1.083 143 S HN 0.749 nan 8.310 nan 0.000 0.605 144 D N 1.939 122.635 120.400 0.494 0.000 2.689 144 D HA -0.127 4.514 4.640 0.001 0.000 0.237 144 D C 0.985 177.551 176.300 0.444 0.000 1.148 144 D CA 1.596 55.896 54.000 0.499 0.000 0.656 144 D CB -1.702 39.419 40.800 0.535 0.000 1.050 144 D HN 1.567 nan 8.370 nan 0.000 0.426 145 G N -0.539 108.543 108.800 0.471 0.000 2.305 145 G HA2 0.095 4.056 3.960 0.001 0.000 0.287 145 G HA3 0.095 4.056 3.960 0.001 0.000 0.287 145 G C 1.499 176.589 174.900 0.316 0.000 1.036 145 G CA 0.924 46.294 45.100 0.451 0.000 0.887 145 G HN 1.807 nan 8.290 nan 0.000 0.505 146 G N -1.920 107.015 108.800 0.225 0.000 2.199 146 G HA2 -0.355 3.606 3.960 0.001 0.000 0.254 146 G HA3 -0.355 3.606 3.960 0.001 0.000 0.254 146 G C 0.861 175.767 174.900 0.010 0.000 0.982 146 G CA 0.899 46.042 45.100 0.072 0.000 0.632 146 G HN 1.042 nan 8.290 nan 0.000 0.529 147 Y N 1.242 121.654 120.300 0.187 0.000 2.578 147 Y HA 0.445 4.996 4.550 0.001 0.000 0.297 147 Y C 1.937 177.979 175.900 0.236 0.000 1.176 147 Y CA 0.900 59.110 58.100 0.183 0.000 1.315 147 Y CB 0.432 39.002 38.460 0.182 0.000 1.031 147 Y HN 0.542 nan 8.280 nan 0.000 0.524 148 A N 0.665 123.687 122.820 0.337 0.000 2.511 148 A HA 0.521 4.842 4.320 0.001 0.000 0.340 148 A C -0.563 177.088 177.584 0.113 0.000 1.396 148 A CA -0.497 51.738 52.037 0.329 0.000 0.887 148 A CB -0.377 18.897 19.000 0.456 0.000 1.145 148 A HN 0.014 nan 8.150 nan 0.000 0.497 149 V N 2.253 122.177 119.914 0.017 0.000 2.555 149 V HA 0.141 4.262 4.120 0.001 0.000 0.286 149 V C 1.051 177.053 176.094 -0.154 0.000 1.044 149 V CA 0.505 62.703 62.300 -0.169 0.000 1.026 149 V CB 1.308 32.833 31.823 -0.496 0.000 0.981 149 V HN 0.860 nan 8.190 nan 0.000 0.480 150 S N 2.245 117.843 115.700 -0.170 0.000 2.523 150 S HA 0.185 4.656 4.470 0.001 0.000 0.217 150 S C 0.489 174.833 174.600 -0.428 0.000 0.996 150 S CA 0.207 58.283 58.200 -0.207 0.000 0.921 150 S CB 0.429 63.519 63.200 -0.183 0.000 0.829 150 S HN 0.766 nan 8.310 nan 0.000 0.495 151 S N -0.282 115.189 115.700 -0.382 0.000 2.590 151 S HA 0.408 4.879 4.470 0.001 0.000 0.286 151 S C -0.817 173.574 174.600 -0.348 0.000 1.147 151 S CA -0.543 57.417 58.200 -0.400 0.000 0.963 151 S CB 0.302 63.360 63.200 -0.237 0.000 1.124 151 S HN 0.232 nan 8.310 nan 0.000 0.458 152 Y N 3.305 123.427 120.300 -0.298 0.000 2.546 152 Y HA 0.263 4.814 4.550 0.001 0.000 0.287 152 Y C 2.258 177.664 175.900 -0.823 0.000 1.158 152 Y CA 0.277 58.071 58.100 -0.510 0.000 1.307 152 Y CB 0.289 38.541 38.460 -0.346 0.000 1.036 152 Y HN 0.525 nan 8.280 nan 0.000 0.532 153 R N -1.034 119.266 120.500 -0.334 0.000 2.369 153 R HA 0.100 4.440 4.340 0.001 0.000 0.210 153 R C -0.620 175.840 176.300 0.266 0.000 0.881 153 R CA 0.110 56.069 56.100 -0.234 0.000 1.031 153 R CB 0.464 30.435 30.300 -0.548 0.000 1.184 153 R HN 0.119 nan 8.270 nan 0.000 0.581 154 D N 2.534 123.071 120.400 0.228 0.000 2.347 154 D HA 0.140 4.781 4.640 0.001 0.000 0.235 154 D C 0.026 176.498 176.300 0.287 0.000 1.149 154 D CA -0.066 54.062 54.000 0.213 0.000 0.850 154 D CB 2.244 43.073 40.800 0.048 0.000 1.061 154 D HN -0.227 nan 8.370 nan 0.000 0.487 155 V N 2.981 122.974 119.914 0.132 0.000 2.872 155 V HA -0.093 4.028 4.120 0.001 0.000 0.307 155 V C 1.144 177.188 176.094 -0.082 0.000 1.072 155 V CA -0.414 61.795 62.300 -0.153 0.000 1.148 155 V CB 0.577 32.273 31.823 -0.211 0.000 0.954 155 V HN 0.510 nan 8.190 nan 0.000 0.490 156 N N 7.193 125.823 118.700 -0.117 0.000 2.417 156 N HA 0.021 4.762 4.740 0.001 0.000 0.272 156 N C -0.987 174.484 175.510 -0.064 0.000 1.304 156 N CA -1.491 51.517 53.050 -0.069 0.000 0.906 156 N CB 1.108 39.556 38.487 -0.066 0.000 1.135 156 N HN 0.379 nan 8.380 nan 0.000 0.483 157 P HA -0.203 nan 4.420 nan 0.000 0.218 157 P C 0.732 178.007 177.300 -0.041 0.000 1.146 157 P CA 1.296 64.371 63.100 -0.041 0.000 0.820 157 P CB 0.084 31.763 31.700 -0.036 0.000 0.778 158 A N -0.638 122.157 122.820 -0.041 0.000 2.067 158 A HA -0.063 4.258 4.320 0.001 0.000 0.219 158 A C 2.303 179.866 177.584 -0.034 0.000 1.158 158 A CA 1.045 53.060 52.037 -0.036 0.000 0.661 158 A CB -1.202 17.779 19.000 -0.032 0.000 0.801 158 A HN 0.204 nan 8.150 nan 0.000 0.452 159 L N -2.554 118.642 121.223 -0.045 0.000 2.408 159 L HA 0.393 4.734 4.340 0.001 0.000 0.215 159 L C 1.337 178.176 176.870 -0.053 0.000 1.081 159 L CA 0.486 55.297 54.840 -0.047 0.000 0.840 159 L CB -0.134 41.884 42.059 -0.069 0.000 1.002 159 L HN 0.565 nan 8.230 nan 0.000 0.468 160 G N -0.114 108.652 108.800 -0.057 0.000 2.291 160 G HA2 0.051 4.011 3.960 0.001 0.000 0.249 160 G HA3 0.051 4.011 3.960 0.001 0.000 0.249 160 G C -0.723 174.147 174.900 -0.050 0.000 1.340 160 G CA -0.164 44.907 45.100 -0.049 0.000 1.017 160 G HN 0.057 nan 8.290 nan 0.000 0.470 161 T N -2.014 112.517 114.554 -0.039 0.000 2.938 161 T HA 0.591 4.942 4.350 0.001 0.000 0.285 161 T C 1.428 176.118 174.700 -0.017 0.000 1.028 161 T CA 0.295 62.382 62.100 -0.021 0.000 1.005 161 T CB 1.790 70.656 68.868 -0.004 0.000 1.157 161 T HN 1.395 nan 8.240 nan 0.000 0.550 162 I N 1.393 121.982 120.570 0.032 0.000 2.361 162 I HA 0.105 4.276 4.170 0.001 0.000 0.251 162 I C 2.286 178.427 176.117 0.039 0.000 1.133 162 I CA 1.970 63.317 61.300 0.078 0.000 1.413 162 I CB -1.013 37.098 38.000 0.185 0.000 1.073 162 I HN 0.900 nan 8.210 nan 0.000 0.424 163 G N -0.135 108.680 108.800 0.026 0.000 2.421 163 G HA2 -0.248 3.713 3.960 0.001 0.000 0.216 163 G HA3 -0.248 3.713 3.960 0.001 0.000 0.216 163 G C 1.453 176.346 174.900 -0.011 0.000 1.171 163 G CA 0.949 46.054 45.100 0.008 0.000 0.775 163 G HN 0.401 nan 8.290 nan 0.000 0.543 164 D N 0.146 120.535 120.400 -0.019 0.000 2.144 164 D HA -0.104 4.536 4.640 0.001 0.000 0.199 164 D C 2.427 178.702 176.300 -0.041 0.000 0.984 164 D CA 0.796 54.778 54.000 -0.030 0.000 0.834 164 D CB -0.126 40.653 40.800 -0.035 0.000 0.955 164 D HN 0.250 nan 8.370 nan 0.000 0.465 165 L N 1.330 122.522 121.223 -0.050 0.000 2.017 165 L HA -0.108 4.233 4.340 0.001 0.000 0.208 165 L C 2.349 179.184 176.870 -0.057 0.000 1.073 165 L CA 1.580 56.381 54.840 -0.065 0.000 0.745 165 L CB -0.438 41.569 42.059 -0.086 0.000 0.894 165 L HN -0.175 nan 8.230 nan 0.000 0.432 166 R N -0.552 119.922 120.500 -0.044 0.000 2.096 166 R HA -0.229 4.112 4.340 0.001 0.000 0.235 166 R C 2.325 178.587 176.300 -0.064 0.000 1.127 166 R CA 1.781 57.847 56.100 -0.057 0.000 0.968 166 R CB -0.231 30.046 30.300 -0.038 0.000 0.861 166 R HN 0.659 nan 8.270 nan 0.000 0.440 167 E N -0.342 119.830 120.200 -0.048 0.000 2.072 167 E HA -0.141 4.210 4.350 0.001 0.000 0.191 167 E C 1.806 178.375 176.600 -0.051 0.000 0.985 167 E CA 1.329 57.703 56.400 -0.043 0.000 0.801 167 E CB 0.111 29.794 29.700 -0.029 0.000 0.750 167 E HN 0.179 nan 8.360 nan 0.000 0.452 168 V N 1.522 121.406 119.914 -0.051 0.000 2.332 168 V HA -0.284 3.837 4.120 0.001 0.000 0.248 168 V C 2.410 178.452 176.094 -0.086 0.000 1.055 168 V CA 1.780 64.054 62.300 -0.044 0.000 1.038 168 V CB -0.441 31.364 31.823 -0.031 0.000 0.651 168 V HN 0.363 nan 8.190 nan 0.000 0.450 169 I N 0.487 120.974 120.570 -0.139 0.000 2.163 169 I HA -0.263 3.907 4.170 0.001 0.000 0.243 169 I C 2.661 178.538 176.117 -0.400 0.000 1.085 169 I CA 1.629 62.763 61.300 -0.278 0.000 1.347 169 I CB -0.644 37.192 38.000 -0.273 0.000 1.044 169 I HN 0.304 nan 8.210 nan 0.000 0.408 170 A N 0.692 123.374 122.820 -0.230 0.000 1.930 170 A HA -0.093 4.227 4.320 0.001 0.000 0.217 170 A C 2.522 180.070 177.584 -0.060 0.000 1.175 170 A CA 1.700 53.655 52.037 -0.138 0.000 0.627 170 A CB -0.705 18.260 19.000 -0.059 0.000 0.815 170 A HN 0.437 nan 8.150 nan 0.000 0.443 171 A N -0.452 122.338 122.820 -0.050 0.000 1.969 171 A HA 0.067 4.388 4.320 0.001 0.000 0.218 171 A C 2.117 179.716 177.584 0.025 0.000 1.169 171 A CA 1.249 53.286 52.037 -0.001 0.000 0.635 171 A CB -0.463 18.540 19.000 0.005 0.000 0.810 171 A HN 0.465 nan 8.150 nan 0.000 0.445 172 L N -1.659 119.558 121.223 -0.010 0.000 2.072 172 L HA -0.162 4.179 4.340 0.001 0.000 0.205 172 L C 2.495 179.434 176.870 0.115 0.000 1.079 172 L CA 1.409 56.273 54.840 0.040 0.000 0.752 172 L CB -0.683 41.367 42.059 -0.015 0.000 0.906 172 L HN 0.540 nan 8.230 nan 0.000 0.436 173 H N -1.105 117.964 119.070 -0.002 0.000 2.389 173 H HA -0.196 4.360 4.556 0.001 0.000 0.299 173 H C 2.180 177.505 175.328 -0.005 0.000 1.081 173 H CA 0.937 56.975 56.048 -0.016 0.000 1.345 173 H CB 0.349 30.091 29.762 -0.033 0.000 1.393 173 H HN 0.224 nan 8.280 nan 0.000 0.520 174 E N 1.468 121.746 120.200 0.130 0.000 2.077 174 E HA -0.109 4.242 4.350 0.001 0.000 0.193 174 E C 1.891 178.531 176.600 0.066 0.000 0.989 174 E CA 1.144 57.588 56.400 0.074 0.000 0.800 174 E CB -0.143 29.587 29.700 0.050 0.000 0.746 174 E HN 0.411 nan 8.360 nan 0.000 0.452 175 A N -0.516 122.351 122.820 0.078 0.000 2.276 175 A HA 0.382 4.702 4.320 0.001 0.000 0.212 175 A C 1.457 179.089 177.584 0.080 0.000 1.230 175 A CA 0.705 52.789 52.037 0.079 0.000 0.844 175 A CB -0.957 18.102 19.000 0.098 0.000 0.860 175 A HN 0.470 nan 8.150 nan 0.000 0.486 176 G N -0.562 108.283 108.800 0.075 0.000 2.246 176 G HA2 -0.230 3.731 3.960 0.001 0.000 0.273 176 G HA3 -0.230 3.731 3.960 0.001 0.000 0.273 176 G C -0.104 174.843 174.900 0.079 0.000 1.055 176 G CA 0.574 45.709 45.100 0.059 0.000 0.851 176 G HN 0.541 nan 8.290 nan 0.000 0.500 177 I N 0.344 120.979 120.570 0.108 0.000 2.509 177 I HA 0.397 4.567 4.170 0.001 0.000 0.293 177 I C 0.392 176.595 176.117 0.143 0.000 1.020 177 I CA -0.795 60.572 61.300 0.112 0.000 1.088 177 I CB 2.139 40.199 38.000 0.100 0.000 1.267 177 I HN 0.067 nan 8.210 nan 0.000 0.430 178 S N 3.821 119.584 115.700 0.104 0.000 2.562 178 S HA 0.579 5.050 4.470 0.001 0.000 0.275 178 S C 0.069 174.656 174.600 -0.021 0.000 1.281 178 S CA -0.633 57.614 58.200 0.079 0.000 1.045 178 S CB 1.404 64.636 63.200 0.053 0.000 0.962 178 S HN 0.665 nan 8.310 nan 0.000 0.503 179 A N 2.969 125.797 122.820 0.012 0.000 2.289 179 A HA 0.621 4.942 4.320 0.001 0.000 0.298 179 A C -0.601 176.911 177.584 -0.119 0.000 1.208 179 A CA -0.519 51.475 52.037 -0.072 0.000 0.845 179 A CB 0.212 19.165 19.000 -0.080 0.000 1.125 179 A HN 0.623 nan 8.150 nan 0.000 0.517 180 V N 4.257 124.071 119.914 -0.167 0.000 2.443 180 V HA 0.561 4.682 4.120 0.001 0.000 0.293 180 V C 0.049 176.122 176.094 -0.035 0.000 1.021 180 V CA -0.401 61.779 62.300 -0.201 0.000 0.848 180 V CB 1.094 32.624 31.823 -0.488 0.000 0.998 180 V HN 1.068 nan 8.190 nan 0.000 0.424 181 V N 0.987 120.900 119.914 -0.003 0.000 3.155 181 V HA 0.749 4.869 4.120 0.001 0.000 0.313 181 V C -0.676 175.477 176.094 0.099 0.000 1.162 181 V CA -1.015 61.355 62.300 0.116 0.000 1.048 181 V CB 2.295 34.215 31.823 0.162 0.000 1.092 181 V HN 0.709 nan 8.190 nan 0.000 0.447 182 D N 1.056 121.575 120.400 0.198 0.000 2.255 182 D HA 0.472 5.113 4.640 0.001 0.000 0.249 182 D C -1.163 175.295 176.300 0.262 0.000 1.078 182 D CA 0.234 54.365 54.000 0.218 0.000 0.896 182 D CB 1.353 42.289 40.800 0.226 0.000 1.194 182 D HN 0.602 nan 8.370 nan 0.000 0.429 183 F N 3.121 123.084 119.950 0.021 0.000 2.363 183 F HA 0.389 4.917 4.527 0.001 0.000 0.366 183 F C -0.807 175.030 175.800 0.062 0.000 1.083 183 F CA -0.968 56.997 58.000 -0.059 0.000 1.176 183 F CB 0.218 39.007 39.000 -0.352 0.000 1.432 183 F HN 0.293 nan 8.300 nan 0.000 0.482 184 I N 7.391 127.967 120.570 0.010 0.000 2.270 184 I HA -0.004 4.167 4.170 0.001 0.000 0.300 184 I C 0.466 176.549 176.117 -0.056 0.000 1.186 184 I CA -0.061 61.266 61.300 0.045 0.000 1.431 184 I CB -0.357 37.696 38.000 0.089 0.000 1.485 184 I HN 0.496 nan 8.210 nan 0.000 0.650 185 F N 2.839 122.508 119.950 -0.469 0.000 2.749 185 F HA 0.202 4.730 4.527 0.001 0.000 0.300 185 F C 1.519 177.347 175.800 0.047 0.000 1.103 185 F CA -0.234 57.522 58.000 -0.405 0.000 1.342 185 F CB -0.922 37.662 39.000 -0.693 0.000 1.098 185 F HN 0.363 nan 8.300 nan 0.000 0.586 186 N N 0.436 118.997 118.700 -0.232 0.000 2.416 186 N HA -0.088 4.653 4.740 0.001 0.000 0.177 186 N C -0.319 175.320 175.510 0.215 0.000 1.036 186 N CA 0.779 53.803 53.050 -0.043 0.000 0.901 186 N CB 0.087 38.663 38.487 0.149 0.000 0.976 186 N HN 0.597 nan 8.380 nan 0.000 0.444 187 H N -2.460 116.749 119.070 0.230 0.000 3.003 187 H HA 0.242 4.799 4.556 0.001 0.000 0.327 187 H C -1.136 174.368 175.328 0.295 0.000 1.353 187 H CA -0.688 55.546 56.048 0.310 0.000 1.142 187 H CB 0.970 30.946 29.762 0.357 0.000 1.864 187 H HN -0.012 nan 8.280 nan 0.000 0.529 188 T N -1.494 113.325 114.554 0.442 0.000 2.888 188 T HA 0.521 4.871 4.350 0.001 0.000 0.288 188 T C 0.285 175.115 174.700 0.218 0.000 1.063 188 T CA -0.274 61.955 62.100 0.215 0.000 1.010 188 T CB 1.539 70.433 68.868 0.043 0.000 1.214 188 T HN 0.867 nan 8.240 nan 0.000 0.533 189 S N 0.895 116.645 115.700 0.083 0.000 2.614 189 S HA 0.193 4.664 4.470 0.001 0.000 0.265 189 S C 1.044 175.488 174.600 -0.261 0.000 1.303 189 S CA -0.330 57.887 58.200 0.027 0.000 1.000 189 S CB 0.191 63.393 63.200 0.003 0.000 0.935 189 S HN 0.909 nan 8.310 nan 0.000 0.551 190 N N 0.013 118.425 118.700 -0.480 0.000 2.521 190 N HA -0.022 4.719 4.740 0.001 0.000 0.188 190 N C 0.500 175.650 175.510 -0.601 0.000 1.146 190 N CA 0.384 52.802 53.050 -1.054 0.000 0.893 190 N CB -0.392 37.453 38.487 -1.070 0.000 0.975 190 N HN 0.829 nan 8.380 nan 0.000 0.451 191 E N -0.994 119.012 120.200 -0.323 0.000 2.498 191 E HA 0.024 4.375 4.350 0.001 0.000 0.203 191 E C -0.523 175.967 176.600 -0.184 0.000 1.013 191 E CA -0.289 55.977 56.400 -0.224 0.000 0.927 191 E CB 0.184 29.780 29.700 -0.174 0.000 1.012 191 E HN 0.521 nan 8.360 nan 0.000 0.482 192 H N 1.082 119.991 119.070 -0.270 0.000 2.815 192 H HA -0.007 4.549 4.556 0.001 0.000 0.350 192 H C 1.395 176.596 175.328 -0.213 0.000 1.080 192 H CA 0.427 56.321 56.048 -0.256 0.000 1.433 192 H CB 0.864 30.474 29.762 -0.253 0.000 1.432 192 H HN 0.000 nan 8.280 nan 0.000 0.592 193 E N 3.527 123.571 120.200 -0.260 0.000 2.114 193 E HA -0.254 4.097 4.350 0.001 0.000 0.199 193 E C 1.018 177.624 176.600 0.009 0.000 1.008 193 E CA 1.733 58.059 56.400 -0.123 0.000 0.810 193 E CB -0.012 29.584 29.700 -0.174 0.000 0.739 193 E HN 0.751 nan 8.360 nan 0.000 0.456 194 W N 0.214 121.554 121.300 0.067 0.000 2.335 194 W HA -0.102 4.559 4.660 0.001 0.000 0.311 194 W C 2.521 179.070 176.519 0.049 0.000 1.213 194 W CA 0.940 58.147 57.345 -0.230 0.000 1.274 194 W CB -1.419 28.149 29.460 0.180 0.000 1.148 194 W HN 0.207 nan 8.180 nan 0.000 0.498 195 A N 0.389 123.401 122.820 0.321 0.000 1.858 195 A HA -0.273 4.048 4.320 0.001 0.000 0.216 195 A C 2.011 179.615 177.584 0.034 0.000 1.190 195 A CA 2.168 54.166 52.037 -0.065 0.000 0.617 195 A CB -1.070 17.600 19.000 -0.550 0.000 0.827 195 A HN 0.413 nan 8.150 nan 0.000 0.443 196 Q N -0.591 119.179 119.800 -0.051 0.000 2.029 196 Q HA -0.253 4.088 4.340 0.001 0.000 0.209 196 Q C 2.346 178.354 176.000 0.014 0.000 0.999 196 Q CA 2.073 57.858 55.803 -0.030 0.000 0.857 196 Q CB -0.309 28.384 28.738 -0.074 0.000 0.926 196 Q HN 0.638 nan 8.270 nan 0.000 0.415 197 R N -0.103 120.364 120.500 -0.055 0.000 2.120 197 R HA -0.115 4.226 4.340 0.001 0.000 0.234 197 R C 2.609 178.964 176.300 0.091 0.000 1.123 197 R CA 1.193 57.269 56.100 -0.040 0.000 0.975 197 R CB -0.677 29.482 30.300 -0.234 0.000 0.866 197 R HN 0.388 nan 8.270 nan 0.000 0.446 198 C N 0.652 120.052 119.300 0.166 0.000 2.462 198 C HA 0.013 4.473 4.460 0.001 0.000 0.278 198 C C 2.921 178.039 174.990 0.213 0.000 1.253 198 C CA 1.113 60.305 59.018 0.290 0.000 1.713 198 C CB -0.902 27.145 27.740 0.511 0.000 2.049 198 C HN 0.559 nan 8.230 nan 0.000 0.477 199 A N 0.178 123.125 122.820 0.212 0.000 2.019 199 A HA 0.207 4.528 4.320 0.001 0.000 0.219 199 A C 2.314 179.965 177.584 0.112 0.000 1.164 199 A CA 1.873 54.007 52.037 0.162 0.000 0.644 199 A CB -0.956 18.191 19.000 0.246 0.000 0.805 199 A HN 0.973 nan 8.150 nan 0.000 0.449 200 A N -1.787 121.093 122.820 0.101 0.000 2.235 200 A HA 0.397 4.718 4.320 0.001 0.000 0.208 200 A C 1.753 179.377 177.584 0.067 0.000 1.172 200 A CA 1.229 53.308 52.037 0.070 0.000 0.786 200 A CB -0.871 18.159 19.000 0.051 0.000 0.804 200 A HN 1.864 nan 8.150 nan 0.000 0.479 201 G N -0.427 108.424 108.800 0.085 0.000 2.132 201 G HA2 -0.223 3.738 3.960 0.001 0.000 0.234 201 G HA3 -0.223 3.738 3.960 0.001 0.000 0.234 201 G C -0.124 174.824 174.900 0.080 0.000 0.989 201 G CA 0.182 45.329 45.100 0.078 0.000 0.676 201 G HN 0.564 nan 8.290 nan 0.000 0.522 202 D N 1.194 121.654 120.400 0.101 0.000 2.389 202 D HA 0.187 4.828 4.640 0.001 0.000 0.263 202 D C 0.207 176.563 176.300 0.094 0.000 1.255 202 D CA -1.010 53.054 54.000 0.106 0.000 0.914 202 D CB 1.191 42.091 40.800 0.166 0.000 1.116 202 D HN 0.231 nan 8.370 nan 0.000 0.502 203 P HA -0.194 nan 4.420 nan 0.000 0.220 203 P C 1.609 178.878 177.300 -0.051 0.000 1.144 203 P CA 0.375 63.480 63.100 0.010 0.000 0.800 203 P CB 0.356 32.053 31.700 -0.005 0.000 0.772 204 L N -1.405 119.768 121.223 -0.083 0.000 2.141 204 L HA 0.057 4.398 4.340 0.001 0.000 0.209 204 L C 1.376 177.898 176.870 -0.581 0.000 1.094 204 L CA 1.643 56.304 54.840 -0.299 0.000 0.763 204 L CB -1.046 40.858 42.059 -0.260 0.000 0.908 204 L HN -0.227 nan 8.230 nan 0.000 0.437 205 F N -0.422 119.399 119.950 -0.215 0.000 2.923 205 F HA 0.271 4.798 4.527 0.001 0.000 0.314 205 F C 0.363 176.162 175.800 -0.002 0.000 1.196 205 F CA -1.164 56.630 58.000 -0.343 0.000 1.320 205 F CB -0.273 38.495 39.000 -0.386 0.000 0.953 205 F HN 0.009 nan 8.300 nan 0.000 0.505 206 D N 0.289 120.767 120.400 0.130 0.000 2.389 206 D HA 0.047 4.687 4.640 0.001 0.000 0.247 206 D C 0.820 177.253 176.300 0.221 0.000 1.128 206 D CA 0.648 54.746 54.000 0.162 0.000 0.884 206 D CB 0.449 41.302 40.800 0.088 0.000 1.194 206 D HN 0.148 nan 8.370 nan 0.000 0.441 207 N N 2.366 121.169 118.700 0.171 0.000 2.747 207 N HA -0.247 4.493 4.740 0.001 0.000 0.249 207 N C -0.324 175.209 175.510 0.038 0.000 1.107 207 N CA 0.390 53.482 53.050 0.070 0.000 0.707 207 N CB -1.473 37.031 38.487 0.029 0.000 1.054 207 N HN 0.404 nan 8.380 nan 0.000 0.555 208 F N -0.931 118.999 119.950 -0.033 0.000 2.743 208 F HA 0.276 4.804 4.527 0.001 0.000 0.297 208 F C 0.446 175.925 175.800 -0.534 0.000 1.131 208 F CA 0.658 58.534 58.000 -0.208 0.000 1.426 208 F CB 0.148 39.140 39.000 -0.015 0.000 1.116 208 F HN 0.140 nan 8.300 nan 0.000 0.583 209 Y N -3.185 117.132 120.300 0.029 0.000 2.818 209 Y HA 0.391 4.942 4.550 0.001 0.000 0.322 209 Y C -1.234 174.501 175.900 -0.275 0.000 1.323 209 Y CA -1.825 56.247 58.100 -0.046 0.000 1.090 209 Y CB 0.558 39.142 38.460 0.208 0.000 1.328 209 Y HN -0.332 nan 8.280 nan 0.000 0.482 210 Y N 1.864 122.278 120.300 0.189 0.000 2.593 210 Y HA 0.543 5.094 4.550 0.001 0.000 0.331 210 Y C -0.532 175.251 175.900 -0.196 0.000 0.986 210 Y CA -0.486 57.624 58.100 0.017 0.000 1.262 210 Y CB 0.319 38.998 38.460 0.365 0.000 1.098 210 Y HN 0.143 nan 8.280 nan 0.000 0.506 211 I N 3.976 124.347 120.570 -0.333 0.000 2.441 211 I HA 0.428 4.599 4.170 0.001 0.000 0.295 211 I C -0.906 174.867 176.117 -0.573 0.000 0.994 211 I CA -0.759 60.357 61.300 -0.307 0.000 1.144 211 I CB 1.390 39.302 38.000 -0.146 0.000 1.314 211 I HN 0.281 nan 8.210 nan 0.000 0.445 212 F N 6.012 126.076 119.950 0.190 0.000 2.546 212 F HA 0.434 4.962 4.527 0.001 0.000 0.320 212 F C -1.547 174.348 175.800 0.158 0.000 1.076 212 F CA -1.939 56.155 58.000 0.157 0.000 0.928 212 F CB 1.134 40.195 39.000 0.101 0.000 1.189 212 F HN 0.292 nan 8.300 nan 0.000 0.465 213 P HA -0.052 nan 4.420 nan 0.000 0.221 213 P C -0.625 176.828 177.300 0.255 0.000 1.150 213 P CA 1.433 64.655 63.100 0.204 0.000 0.800 213 P CB 0.326 32.111 31.700 0.141 0.000 0.787 214 D N -3.060 117.498 120.400 0.264 0.000 3.103 214 D HA 0.202 4.842 4.640 0.001 0.000 0.337 214 D C 0.667 176.876 176.300 -0.151 0.000 1.356 214 D CA -0.714 53.405 54.000 0.199 0.000 0.951 214 D CB -0.034 40.812 40.800 0.075 0.000 1.438 214 D HN -0.402 nan 8.370 nan 0.000 0.562 215 R N -0.253 120.024 120.500 -0.371 0.000 2.310 215 R HA 0.226 4.566 4.340 0.001 0.000 0.202 215 R C 1.708 177.710 176.300 -0.497 0.000 0.933 215 R CA 0.049 55.746 56.100 -0.672 0.000 1.054 215 R CB -0.484 29.427 30.300 -0.647 0.000 0.985 215 R HN 0.473 nan 8.270 nan 0.000 0.489 216 R N 0.555 120.853 120.500 -0.336 0.000 2.082 216 R HA -0.068 4.273 4.340 0.001 0.000 0.234 216 R C 1.938 177.985 176.300 -0.422 0.000 1.136 216 R CA 1.543 57.464 56.100 -0.298 0.000 0.935 216 R CB 0.034 30.225 30.300 -0.182 0.000 0.842 216 R HN 0.036 nan 8.270 nan 0.000 0.430 217 M N -0.339 118.949 119.600 -0.520 0.000 2.098 217 M HA -0.030 4.451 4.480 0.001 0.000 0.262 217 M C -0.655 175.081 176.300 -0.940 0.000 1.072 217 M CA 1.352 56.197 55.300 -0.758 0.000 1.133 217 M CB -1.482 30.559 32.600 -0.931 0.000 1.344 217 M HN 0.032 nan 8.290 nan 0.000 0.414 218 P HA -0.181 nan 4.420 nan 0.000 0.217 218 P C 0.816 177.609 177.300 -0.846 0.000 1.162 218 P CA 1.592 63.740 63.100 -1.588 0.000 0.901 218 P CB -0.172 30.596 31.700 -1.552 0.000 0.793 219 D N -1.201 118.815 120.400 -0.640 0.000 2.149 219 D HA -0.168 4.473 4.640 0.001 0.000 0.198 219 D C 2.099 178.203 176.300 -0.327 0.000 0.990 219 D CA 1.110 54.863 54.000 -0.411 0.000 0.839 219 D CB -0.590 40.000 40.800 -0.349 0.000 0.948 219 D HN 0.336 nan 8.370 nan 0.000 0.460 220 Q N -0.865 118.696 119.800 -0.398 0.000 2.079 220 Q HA -0.152 4.189 4.340 0.001 0.000 0.200 220 Q C 2.001 177.837 176.000 -0.275 0.000 0.974 220 Q CA 0.959 56.550 55.803 -0.352 0.000 0.840 220 Q CB -0.125 28.333 28.738 -0.466 0.000 0.898 220 Q HN 0.387 nan 8.270 nan 0.000 0.430 221 Y N 1.187 121.310 120.300 -0.295 0.000 2.163 221 Y HA -0.191 4.359 4.550 0.001 0.000 0.288 221 Y C 1.929 177.761 175.900 -0.113 0.000 1.136 221 Y CA 1.123 59.112 58.100 -0.185 0.000 1.147 221 Y CB -0.287 38.017 38.460 -0.260 0.000 0.987 221 Y HN 0.103 nan 8.280 nan 0.000 0.509 222 D N -0.289 120.124 120.400 0.022 0.000 2.311 222 D HA -0.139 4.502 4.640 0.001 0.000 0.212 222 D C 2.007 178.293 176.300 -0.022 0.000 0.972 222 D CA 0.793 54.791 54.000 -0.003 0.000 0.887 222 D CB -0.224 40.542 40.800 -0.057 0.000 0.915 222 D HN 0.337 nan 8.370 nan 0.000 0.497 223 R N -0.505 119.971 120.500 -0.040 0.000 2.120 223 R HA -0.071 4.269 4.340 0.001 0.000 0.234 223 R C 1.600 177.895 176.300 -0.007 0.000 1.123 223 R CA 1.606 57.683 56.100 -0.038 0.000 0.975 223 R CB -0.099 30.168 30.300 -0.055 0.000 0.866 223 R HN 0.258 nan 8.270 nan 0.000 0.446 224 T N -3.098 111.470 114.554 0.023 0.000 3.170 224 T HA 0.319 4.670 4.350 0.001 0.000 0.288 224 T C 0.341 175.074 174.700 0.056 0.000 0.992 224 T CA -0.366 61.758 62.100 0.040 0.000 0.909 224 T CB 0.229 69.130 68.868 0.056 0.000 1.133 224 T HN -0.092 nan 8.240 nan 0.000 0.530 225 L N 2.309 123.562 121.223 0.051 0.000 2.305 225 L HA 0.537 4.878 4.340 0.001 0.000 0.281 225 L C 0.595 177.474 176.870 0.015 0.000 1.085 225 L CA -1.052 53.817 54.840 0.050 0.000 0.813 225 L CB 1.288 43.362 42.059 0.025 0.000 1.157 225 L HN 0.188 nan 8.230 nan 0.000 0.436 226 R N 2.526 123.042 120.500 0.027 0.000 2.490 226 R HA 0.206 4.546 4.340 0.001 0.000 0.278 226 R C -0.612 175.648 176.300 -0.066 0.000 1.069 226 R CA -0.386 55.713 56.100 -0.002 0.000 1.080 226 R CB 0.751 31.072 30.300 0.036 0.000 1.030 226 R HN 0.553 nan 8.270 nan 0.000 0.491 227 E N 4.646 124.784 120.200 -0.102 0.000 2.109 227 E HA 0.124 4.475 4.350 0.001 0.000 0.278 227 E C 0.460 176.921 176.600 -0.231 0.000 0.954 227 E CA -0.604 55.688 56.400 -0.179 0.000 0.779 227 E CB 1.307 30.914 29.700 -0.154 0.000 1.093 227 E HN 0.528 nan 8.360 nan 0.000 0.401 228 I N 1.760 122.099 120.570 -0.386 0.000 2.494 228 I HA -0.043 4.128 4.170 0.001 0.000 0.250 228 I C 0.665 176.486 176.117 -0.494 0.000 1.112 228 I CA 0.992 61.978 61.300 -0.523 0.000 1.438 228 I CB -0.171 37.300 38.000 -0.882 0.000 1.111 228 I HN 0.437 nan 8.210 nan 0.000 0.431 229 F N 2.766 122.570 119.950 -0.243 0.000 2.523 229 F HA 0.381 4.909 4.527 0.001 0.000 0.322 229 F C -1.502 174.098 175.800 -0.334 0.000 1.361 229 F CA -3.199 54.641 58.000 -0.267 0.000 1.151 229 F CB -0.235 38.660 39.000 -0.176 0.000 1.391 229 F HN -0.061 nan 8.300 nan 0.000 0.566 230 P HA -0.157 nan 4.420 nan 0.000 0.223 230 P C 0.768 178.005 177.300 -0.104 0.000 1.144 230 P CA 1.253 64.258 63.100 -0.159 0.000 0.783 230 P CB 0.534 32.146 31.700 -0.146 0.000 0.771 231 D N -0.624 119.726 120.400 -0.084 0.000 2.178 231 D HA -0.123 4.518 4.640 0.001 0.000 0.202 231 D C 2.240 178.538 176.300 -0.003 0.000 0.974 231 D CA 1.059 55.034 54.000 -0.042 0.000 0.841 231 D CB -0.213 40.549 40.800 -0.063 0.000 0.953 231 D HN 0.127 nan 8.370 nan 0.000 0.478 232 Q N -0.367 119.423 119.800 -0.015 0.000 2.123 232 Q HA 0.036 4.377 4.340 0.001 0.000 0.196 232 Q C 0.362 176.438 176.000 0.126 0.000 0.958 232 Q CA 1.115 56.949 55.803 0.052 0.000 0.841 232 Q CB 0.072 28.859 28.738 0.082 0.000 0.915 232 Q HN 0.594 nan 8.270 nan 0.000 0.455 233 H N -3.312 115.797 119.070 0.064 0.000 3.024 233 H HA 0.467 5.023 4.556 0.001 0.000 0.324 233 H C -2.966 172.383 175.328 0.035 0.000 1.347 233 H CA -1.880 54.207 56.048 0.064 0.000 1.182 233 H CB 0.534 30.348 29.762 0.087 0.000 1.889 233 H HN -0.238 nan 8.280 nan 0.000 0.528 234 P HA 0.368 nan 4.420 nan 0.000 0.278 234 P C 0.746 178.160 177.300 0.191 0.000 1.258 234 P CA 1.002 64.165 63.100 0.104 0.000 0.811 234 P CB 1.074 32.818 31.700 0.074 0.000 1.063 235 G N 1.081 109.920 108.800 0.065 0.000 2.578 235 G HA2 -0.160 3.801 3.960 0.001 0.000 0.284 235 G HA3 -0.160 3.801 3.960 0.001 0.000 0.284 235 G C 0.533 175.472 174.900 0.064 0.000 1.283 235 G CA 0.048 45.180 45.100 0.055 0.000 0.944 235 G HN 0.834 nan 8.290 nan 0.000 0.558 236 G N -1.433 107.308 108.800 -0.099 0.000 3.993 236 G HA2 0.595 4.556 3.960 0.001 0.000 0.294 236 G HA3 0.595 4.556 3.960 0.001 0.000 0.294 236 G C -0.284 174.053 174.900 -0.938 0.000 1.043 236 G CA -0.050 44.798 45.100 -0.419 0.000 0.839 236 G HN 0.501 nan 8.290 nan 0.000 0.516 237 F N -0.133 119.671 119.950 -0.243 0.000 2.603 237 F HA 0.754 5.281 4.527 0.001 0.000 0.317 237 F C 0.217 175.969 175.800 -0.081 0.000 1.066 237 F CA -0.937 56.964 58.000 -0.166 0.000 0.941 237 F CB 2.368 41.295 39.000 -0.123 0.000 1.291 237 F HN -0.131 nan 8.300 nan 0.000 0.472 238 S N 0.128 115.957 115.700 0.216 0.000 2.569 238 S HA 0.423 4.893 4.470 0.001 0.000 0.280 238 S C -1.343 173.218 174.600 -0.066 0.000 1.111 238 S CA -0.826 57.420 58.200 0.076 0.000 0.887 238 S CB 2.160 65.313 63.200 -0.079 0.000 1.095 238 S HN 0.609 nan 8.310 nan 0.000 0.476 239 Q N 2.192 121.659 119.800 -0.555 0.000 2.241 239 Q HA 0.571 4.912 4.340 0.001 0.000 0.254 239 Q C -0.935 174.775 176.000 -0.484 0.000 0.917 239 Q CA -0.544 54.609 55.803 -1.083 0.000 0.919 239 Q CB 0.608 28.312 28.738 -1.723 0.000 1.237 239 Q HN 0.601 nan 8.270 nan 0.000 0.434 240 L N 2.205 123.186 121.223 -0.403 0.000 2.490 240 L HA 0.181 4.522 4.340 0.001 0.000 0.245 240 L C 1.232 178.017 176.870 -0.142 0.000 1.185 240 L CA -0.570 54.170 54.840 -0.167 0.000 0.813 240 L CB 0.274 42.261 42.059 -0.119 0.000 1.233 240 L HN 0.765 nan 8.230 nan 0.000 0.489 241 E N 0.900 121.073 120.200 -0.046 0.000 2.038 241 E HA -0.233 4.117 4.350 0.001 0.000 0.195 241 E C 1.333 177.903 176.600 -0.050 0.000 1.000 241 E CA 1.802 58.181 56.400 -0.034 0.000 0.803 241 E CB -0.140 29.562 29.700 0.004 0.000 0.750 241 E HN 0.759 nan 8.360 nan 0.000 0.448 242 D N -1.843 118.533 120.400 -0.040 0.000 2.392 242 D HA 0.023 4.663 4.640 0.001 0.000 0.228 242 D C 1.249 177.518 176.300 -0.053 0.000 1.003 242 D CA 0.966 54.947 54.000 -0.032 0.000 0.917 242 D CB -0.037 40.757 40.800 -0.010 0.000 0.890 242 D HN 0.313 nan 8.370 nan 0.000 0.532 243 G N -0.406 108.323 108.800 -0.118 0.000 2.232 243 G HA2 -0.303 3.658 3.960 0.001 0.000 0.226 243 G HA3 -0.303 3.658 3.960 0.001 0.000 0.226 243 G C 0.508 175.286 174.900 -0.202 0.000 0.996 243 G CA -0.097 44.916 45.100 -0.146 0.000 0.626 243 G HN 0.455 nan 8.290 nan 0.000 0.509 244 R N -0.927 119.485 120.500 -0.146 0.000 2.726 244 R HA 0.469 4.810 4.340 0.001 0.000 0.272 244 R C -0.459 175.689 176.300 -0.253 0.000 1.097 244 R CA 0.095 56.163 56.100 -0.054 0.000 1.198 244 R CB 0.335 30.630 30.300 -0.009 0.000 1.114 244 R HN 0.251 nan 8.270 nan 0.000 0.550 245 W N 0.125 121.449 121.300 0.040 0.000 2.702 245 W HA 0.497 5.157 4.660 0.001 0.000 0.331 245 W C -0.780 175.802 176.519 0.105 0.000 1.049 245 W CA -0.526 56.859 57.345 0.067 0.000 1.230 245 W CB 1.525 31.036 29.460 0.085 0.000 1.408 245 W HN 0.133 nan 8.180 nan 0.000 0.492 246 V N 4.132 124.163 119.914 0.194 0.000 2.680 246 V HA 0.469 4.589 4.120 0.001 0.000 0.309 246 V C -0.925 175.333 176.094 0.273 0.000 1.052 246 V CA -0.986 61.329 62.300 0.025 0.000 0.908 246 V CB 1.477 32.833 31.823 -0.778 0.000 1.001 246 V HN 0.620 nan 8.190 nan 0.000 0.431 247 W N 5.715 127.138 121.300 0.206 0.000 2.381 247 W HA 0.377 5.037 4.660 0.001 0.000 0.321 247 W C 0.002 176.416 176.519 -0.175 0.000 1.407 247 W CA 0.433 57.698 57.345 -0.133 0.000 1.274 247 W CB 0.866 30.277 29.460 -0.083 0.000 1.310 247 W HN 0.767 nan 8.180 nan 0.000 0.551 248 T N 1.867 116.437 114.554 0.027 0.000 3.133 248 T HA 0.142 4.493 4.350 0.001 0.000 0.368 248 T C 0.738 175.420 174.700 -0.031 0.000 1.190 248 T CA -0.495 61.639 62.100 0.057 0.000 1.282 248 T CB 0.812 69.666 68.868 -0.023 0.000 1.042 248 T HN 0.269 nan 8.240 nan 0.000 0.536 249 T N 2.347 116.822 114.554 -0.132 0.000 2.759 249 T HA 0.051 4.402 4.350 0.001 0.000 0.269 249 T C 0.467 174.668 174.700 -0.833 0.000 1.042 249 T CA 1.615 63.366 62.100 -0.582 0.000 1.140 249 T CB -0.311 67.898 68.868 -1.098 0.000 0.864 249 T HN 0.580 nan 8.240 nan 0.000 0.455 250 F N 0.331 120.159 119.950 -0.204 0.000 2.812 250 F HA 0.370 4.898 4.527 0.001 0.000 0.156 250 F C 1.343 177.253 175.800 0.183 0.000 1.267 250 F CA -0.988 56.928 58.000 -0.140 0.000 0.923 250 F CB -0.483 38.390 39.000 -0.212 0.000 2.108 250 F HN -0.183 nan 8.300 nan 0.000 0.583 251 N N 0.248 119.116 118.700 0.281 0.000 2.399 251 N HA 0.039 4.780 4.740 0.001 0.000 0.250 251 N C 0.823 176.250 175.510 -0.137 0.000 1.272 251 N CA 0.214 53.189 53.050 -0.125 0.000 0.928 251 N CB 1.216 39.086 38.487 -1.029 0.000 1.158 251 N HN 0.216 nan 8.380 nan 0.000 0.463 252 S N 0.290 115.934 115.700 -0.094 0.000 2.419 252 S HA -0.124 4.347 4.470 0.001 0.000 0.233 252 S C 1.225 175.940 174.600 0.191 0.000 1.016 252 S CA 1.006 59.240 58.200 0.057 0.000 0.974 252 S CB -0.293 62.979 63.200 0.119 0.000 0.786 252 S HN 0.620 nan 8.310 nan 0.000 0.492 253 F N 1.143 121.235 119.950 0.237 0.000 2.692 253 F HA 0.485 5.013 4.527 0.001 0.000 0.303 253 F C 0.203 176.054 175.800 0.086 0.000 1.114 253 F CA -0.775 57.296 58.000 0.117 0.000 1.361 253 F CB -0.706 38.332 39.000 0.064 0.000 1.063 253 F HN -0.021 nan 8.300 nan 0.000 0.550 254 Q N 1.032 120.957 119.800 0.207 0.000 2.363 254 Q HA 0.222 4.563 4.340 0.001 0.000 0.265 254 Q C -1.645 174.658 176.000 0.505 0.000 1.032 254 Q CA -0.572 55.417 55.803 0.310 0.000 0.746 254 Q CB 1.181 30.026 28.738 0.178 0.000 1.237 254 Q HN 0.221 nan 8.270 nan 0.000 0.475 255 W N 2.128 123.592 121.300 0.274 0.000 2.335 255 W HA 0.263 4.924 4.660 0.001 0.000 0.307 255 W C -0.328 176.501 176.519 0.517 0.000 1.117 255 W CA -1.461 56.072 57.345 0.314 0.000 1.228 255 W CB 0.495 30.025 29.460 0.118 0.000 1.240 255 W HN 0.495 nan 8.180 nan 0.000 0.468 256 D N 2.501 123.269 120.400 0.614 0.000 2.450 256 D HA 0.091 4.732 4.640 0.001 0.000 0.247 256 D C 0.347 176.919 176.300 0.454 0.000 1.162 256 D CA 0.348 54.620 54.000 0.453 0.000 0.879 256 D CB 0.680 41.543 40.800 0.105 0.000 1.163 256 D HN 0.057 nan 8.370 nan 0.000 0.472 257 L N 2.390 123.752 121.223 0.231 0.000 2.439 257 L HA 0.122 4.463 4.340 0.001 0.000 0.269 257 L C 0.979 177.713 176.870 -0.226 0.000 1.179 257 L CA -0.072 54.660 54.840 -0.181 0.000 0.828 257 L CB 0.373 42.261 42.059 -0.285 0.000 1.106 257 L HN 0.417 nan 8.230 nan 0.000 0.467 258 N N 0.920 119.280 118.700 -0.566 0.000 2.767 258 N HA 0.104 4.845 4.740 0.001 0.000 0.238 258 N C 0.075 175.329 175.510 -0.427 0.000 1.083 258 N CA -0.358 52.273 53.050 -0.699 0.000 0.964 258 N CB 0.308 38.195 38.487 -1.000 0.000 1.252 258 N HN 0.467 nan 8.380 nan 0.000 0.512 259 Y N 0.736 121.019 120.300 -0.028 0.000 2.632 259 Y HA -0.110 4.441 4.550 0.001 0.000 0.301 259 Y C 2.418 178.545 175.900 0.379 0.000 1.172 259 Y CA 0.389 58.612 58.100 0.207 0.000 1.328 259 Y CB 0.057 38.739 38.460 0.370 0.000 1.016 259 Y HN 0.574 nan 8.280 nan 0.000 0.529 260 S N -1.031 114.782 115.700 0.188 0.000 2.522 260 S HA -0.067 4.403 4.470 0.001 0.000 0.227 260 S C 0.711 175.526 174.600 0.360 0.000 0.986 260 S CA 0.075 58.436 58.200 0.267 0.000 0.929 260 S CB -0.275 62.889 63.200 -0.059 0.000 0.769 260 S HN 0.307 nan 8.310 nan 0.000 0.529 261 N N 2.805 121.593 118.700 0.147 0.000 2.457 261 N HA 0.315 5.056 4.740 0.001 0.000 0.250 261 N C -1.740 173.720 175.510 -0.083 0.000 0.982 261 N CA -2.435 50.616 53.050 0.002 0.000 0.941 261 N CB 1.750 40.144 38.487 -0.157 0.000 1.120 261 N HN 0.012 nan 8.380 nan 0.000 0.505 262 P HA -0.115 nan 4.420 nan 0.000 0.219 262 P C 0.827 177.842 177.300 -0.475 0.000 1.146 262 P CA 1.201 63.787 63.100 -0.857 0.000 0.808 262 P CB 0.004 30.855 31.700 -1.415 0.000 0.779 263 W N -0.369 120.798 121.300 -0.222 0.000 2.611 263 W HA -0.042 4.619 4.660 0.001 0.000 0.251 263 W C 2.224 178.541 176.519 -0.337 0.000 1.265 263 W CA -0.072 57.164 57.345 -0.182 0.000 1.295 263 W CB -0.745 28.650 29.460 -0.107 0.000 1.129 263 W HN -0.209 nan 8.180 nan 0.000 0.630 264 V N -0.289 119.401 119.914 -0.374 0.000 2.488 264 V HA -0.256 3.865 4.120 0.001 0.000 0.246 264 V C 1.806 177.792 176.094 -0.182 0.000 1.046 264 V CA 1.504 63.393 62.300 -0.686 0.000 1.053 264 V CB -0.832 30.451 31.823 -0.901 0.000 0.679 264 V HN 0.191 nan 8.190 nan 0.000 0.458 265 F N 1.114 121.046 119.950 -0.029 0.000 2.075 265 F HA -0.156 4.372 4.527 0.001 0.000 0.297 265 F C 2.651 178.542 175.800 0.152 0.000 1.113 265 F CA 1.885 60.018 58.000 0.221 0.000 1.218 265 F CB -0.280 38.812 39.000 0.153 0.000 0.984 265 F HN -0.085 nan 8.300 nan 0.000 0.472 266 R N 1.314 121.888 120.500 0.124 0.000 2.096 266 R HA -0.199 4.142 4.340 0.001 0.000 0.240 266 R C 2.273 178.627 176.300 0.090 0.000 1.139 266 R CA 1.652 57.810 56.100 0.098 0.000 0.952 266 R CB -1.285 29.153 30.300 0.231 0.000 0.854 266 R HN 0.463 nan 8.270 nan 0.000 0.436 267 A N 0.868 123.749 122.820 0.100 0.000 1.865 267 A HA -0.183 4.137 4.320 0.001 0.000 0.217 267 A C 2.235 179.962 177.584 0.237 0.000 1.191 267 A CA 1.945 54.060 52.037 0.130 0.000 0.623 267 A CB -0.427 18.530 19.000 -0.072 0.000 0.826 267 A HN 0.246 nan 8.150 nan 0.000 0.444 268 M N -0.506 119.236 119.600 0.237 0.000 2.229 268 M HA -0.019 4.462 4.480 0.001 0.000 0.264 268 M C 2.428 179.000 176.300 0.453 0.000 1.063 268 M CA 1.261 56.769 55.300 0.347 0.000 1.114 268 M CB -1.607 31.301 32.600 0.513 0.000 1.387 268 M HN 0.500 nan 8.290 nan 0.000 0.420 269 A N 0.307 123.275 122.820 0.247 0.000 1.933 269 A HA 0.017 4.338 4.320 0.001 0.000 0.218 269 A C 2.444 180.144 177.584 0.194 0.000 1.175 269 A CA 1.854 53.996 52.037 0.175 0.000 0.628 269 A CB -1.371 17.487 19.000 -0.236 0.000 0.814 269 A HN 0.493 nan 8.150 nan 0.000 0.444 270 G N -0.476 108.436 108.800 0.186 0.000 2.422 270 G HA2 -0.181 3.780 3.960 0.001 0.000 0.218 270 G HA3 -0.181 3.780 3.960 0.001 0.000 0.218 270 G C 1.373 176.411 174.900 0.229 0.000 1.146 270 G CA 0.989 46.210 45.100 0.201 0.000 0.769 270 G HN 0.466 nan 8.290 nan 0.000 0.547 271 E N -0.045 120.296 120.200 0.234 0.000 2.106 271 E HA -0.063 4.287 4.350 0.001 0.000 0.192 271 E C 2.331 179.106 176.600 0.292 0.000 0.984 271 E CA 0.518 57.049 56.400 0.218 0.000 0.806 271 E CB -0.421 29.282 29.700 0.005 0.000 0.750 271 E HN 0.509 nan 8.360 nan 0.000 0.458 272 M N 0.288 120.028 119.600 0.232 0.000 2.117 272 M HA -0.141 4.340 4.480 0.001 0.000 0.262 272 M C 2.074 178.407 176.300 0.055 0.000 1.065 272 M CA 1.198 56.466 55.300 -0.053 0.000 1.114 272 M CB -0.009 32.399 32.600 -0.320 0.000 1.361 272 M HN 0.054 nan 8.290 nan 0.000 0.408 273 L N -0.757 120.549 121.223 0.139 0.000 2.141 273 L HA -0.201 4.140 4.340 0.001 0.000 0.209 273 L C 2.363 179.326 176.870 0.155 0.000 1.094 273 L CA 1.062 55.988 54.840 0.144 0.000 0.763 273 L CB -0.712 41.449 42.059 0.171 0.000 0.908 273 L HN 0.325 nan 8.230 nan 0.000 0.437 274 F N 0.690 120.683 119.950 0.072 0.000 2.102 274 F HA -0.206 4.322 4.527 0.001 0.000 0.298 274 F C 2.151 177.993 175.800 0.070 0.000 1.105 274 F CA 1.542 59.584 58.000 0.069 0.000 1.239 274 F CB -0.188 38.855 39.000 0.070 0.000 0.991 274 F HN -0.140 nan 8.300 nan 0.000 0.474 275 L N -0.095 121.172 121.223 0.074 0.000 2.093 275 L HA -0.163 4.177 4.340 0.001 0.000 0.208 275 L C 2.799 179.635 176.870 -0.058 0.000 1.085 275 L CA 1.018 55.853 54.840 -0.009 0.000 0.755 275 L CB -1.229 40.903 42.059 0.123 0.000 0.904 275 L HN 0.264 nan 8.230 nan 0.000 0.435 276 A N 0.391 123.198 122.820 -0.021 0.000 1.883 276 A HA -0.225 4.096 4.320 0.001 0.000 0.217 276 A C 1.963 179.527 177.584 -0.034 0.000 1.186 276 A CA 2.065 54.099 52.037 -0.004 0.000 0.624 276 A CB -0.584 18.436 19.000 0.034 0.000 0.822 276 A HN 0.409 nan 8.150 nan 0.000 0.444 277 N N -0.154 118.501 118.700 -0.075 0.000 2.512 277 N HA 0.031 4.772 4.740 0.001 0.000 0.183 277 N C 1.275 176.697 175.510 -0.146 0.000 1.073 277 N CA 0.535 53.526 53.050 -0.099 0.000 0.911 277 N CB -0.335 38.097 38.487 -0.091 0.000 0.964 277 N HN 0.532 nan 8.380 nan 0.000 0.447 278 L N -1.224 119.876 121.223 -0.204 0.000 2.395 278 L HA 0.114 4.455 4.340 0.001 0.000 0.218 278 L C 1.126 177.937 176.870 -0.098 0.000 1.130 278 L CA 0.591 55.318 54.840 -0.188 0.000 0.826 278 L CB -0.172 41.761 42.059 -0.211 0.000 0.941 278 L HN 0.244 nan 8.230 nan 0.000 0.451 279 G N -0.196 108.575 108.800 -0.049 0.000 2.143 279 G HA2 -0.197 3.764 3.960 0.001 0.000 0.175 279 G HA3 -0.197 3.764 3.960 0.001 0.000 0.175 279 G C 0.044 174.981 174.900 0.062 0.000 1.004 279 G CA -0.297 44.824 45.100 0.034 0.000 0.671 279 G HN 0.019 nan 8.290 nan 0.000 0.512 280 V N 1.340 121.267 119.914 0.022 0.000 2.572 280 V HA 0.198 4.318 4.120 0.001 0.000 0.291 280 V C 1.230 177.359 176.094 0.057 0.000 1.039 280 V CA 0.633 62.954 62.300 0.034 0.000 1.055 280 V CB 1.276 33.118 31.823 0.032 0.000 0.969 280 V HN 0.348 nan 8.190 nan 0.000 0.482 281 D N 3.649 124.084 120.400 0.058 0.000 2.216 281 D HA 0.196 4.837 4.640 0.001 0.000 0.208 281 D C 0.353 176.729 176.300 0.127 0.000 0.960 281 D CA 1.207 55.238 54.000 0.051 0.000 0.861 281 D CB 0.852 41.658 40.800 0.011 0.000 0.985 281 D HN 0.393 nan 8.370 nan 0.000 0.493 282 I N 1.364 121.977 120.570 0.072 0.000 2.534 282 I HA 0.221 4.392 4.170 0.001 0.000 0.288 282 I C -0.933 175.216 176.117 0.052 0.000 1.077 282 I CA -0.540 60.828 61.300 0.113 0.000 1.051 282 I CB 2.912 40.939 38.000 0.044 0.000 1.234 282 I HN -0.283 nan 8.210 nan 0.000 0.425 283 L N 5.945 127.243 121.223 0.124 0.000 2.272 283 L HA 0.479 4.820 4.340 0.001 0.000 0.289 283 L C 0.335 177.213 176.870 0.014 0.000 1.032 283 L CA -0.545 54.317 54.840 0.035 0.000 0.810 283 L CB 1.350 43.362 42.059 -0.078 0.000 1.205 283 L HN 0.525 nan 8.230 nan 0.000 0.422 284 R N 4.828 125.325 120.500 -0.004 0.000 2.291 284 R HA 0.214 4.555 4.340 0.001 0.000 0.333 284 R C -0.425 175.910 176.300 0.057 0.000 1.082 284 R CA -0.636 55.486 56.100 0.038 0.000 0.948 284 R CB 0.436 30.735 30.300 -0.002 0.000 1.009 284 R HN 0.485 nan 8.270 nan 0.000 0.460 285 M N 3.911 123.500 119.600 -0.017 0.000 2.685 285 M HA 0.029 4.509 4.480 0.001 0.000 0.316 285 M C -0.414 175.967 176.300 0.135 0.000 1.523 285 M CA -0.022 55.206 55.300 -0.120 0.000 1.472 285 M CB -0.466 31.971 32.600 -0.271 0.000 1.525 285 M HN 0.486 nan 8.290 nan 0.000 0.471 286 D N 3.231 123.767 120.400 0.228 0.000 2.417 286 D HA 0.350 4.991 4.640 0.001 0.000 0.250 286 D C 0.545 177.040 176.300 0.325 0.000 1.166 286 D CA 0.604 54.751 54.000 0.244 0.000 0.881 286 D CB 0.670 41.612 40.800 0.236 0.000 1.164 286 D HN 0.818 nan 8.370 nan 0.000 0.467 287 A N 2.874 125.835 122.820 0.235 0.000 2.610 287 A HA -0.190 4.131 4.320 0.001 0.000 0.299 287 A C 1.554 179.342 177.584 0.340 0.000 1.487 287 A CA 0.880 53.153 52.037 0.393 0.000 0.743 287 A CB -2.265 17.052 19.000 0.527 0.000 1.070 287 A HN 1.066 nan 8.150 nan 0.000 0.439 288 V N -3.193 116.827 119.914 0.177 0.000 2.720 288 V HA 0.019 4.139 4.120 0.001 0.000 0.256 288 V C 2.325 178.369 176.094 -0.084 0.000 1.082 288 V CA 2.417 64.776 62.300 0.098 0.000 1.101 288 V CB -1.282 30.503 31.823 -0.064 0.000 0.693 288 V HN 1.844 nan 8.190 nan 0.000 0.479 289 A N 0.130 122.810 122.820 -0.234 0.000 2.015 289 A HA 0.112 4.433 4.320 0.001 0.000 0.219 289 A C 1.736 179.050 177.584 -0.450 0.000 1.163 289 A CA 1.530 53.346 52.037 -0.368 0.000 0.646 289 A CB -0.732 17.879 19.000 -0.649 0.000 0.806 289 A HN 0.650 nan 8.150 nan 0.000 0.448 290 F N -0.109 119.840 119.950 -0.003 0.000 2.693 290 F HA 0.217 4.745 4.527 0.001 0.000 0.303 290 F C 1.582 177.321 175.800 -0.101 0.000 1.097 290 F CA -0.111 57.855 58.000 -0.057 0.000 1.330 290 F CB -0.215 38.746 39.000 -0.065 0.000 1.067 290 F HN 0.290 nan 8.300 nan 0.000 0.565 291 I N -2.539 118.052 120.570 0.034 0.000 3.334 291 I HA -0.049 4.121 4.170 0.001 0.000 0.282 291 I C 0.157 176.383 176.117 0.182 0.000 1.313 291 I CA 0.635 61.938 61.300 0.005 0.000 1.396 291 I CB -0.021 37.778 38.000 -0.335 0.000 1.054 291 I HN 0.195 nan 8.210 nan 0.000 0.495 292 W N 2.850 124.097 121.300 -0.088 0.000 2.998 292 W HA 0.424 5.084 4.660 0.001 0.000 0.335 292 W C -1.266 175.165 176.519 -0.145 0.000 1.110 292 W CA -0.802 56.500 57.345 -0.072 0.000 1.230 292 W CB 2.059 31.484 29.460 -0.059 0.000 1.405 292 W HN -0.172 nan 8.180 nan 0.000 0.493 293 K N 3.717 123.632 120.400 -0.810 0.000 2.267 293 K HA 0.490 4.810 4.320 0.001 0.000 0.246 293 K C -1.025 175.384 176.600 -0.318 0.000 0.954 293 K CA -1.057 54.877 56.287 -0.588 0.000 0.824 293 K CB 2.377 34.238 32.500 -1.065 0.000 1.167 293 K HN 0.403 nan 8.250 nan 0.000 0.431 294 Q N 1.792 121.622 119.800 0.050 0.000 2.380 294 Q HA 0.255 4.596 4.340 0.001 0.000 0.245 294 Q C -1.391 174.809 176.000 0.334 0.000 0.893 294 Q CA -0.441 55.490 55.803 0.213 0.000 0.922 294 Q CB 1.362 30.240 28.738 0.234 0.000 1.432 294 Q HN 0.607 nan 8.270 nan 0.000 0.434 295 M N 3.601 123.457 119.600 0.426 0.000 2.255 295 M HA 0.338 4.818 4.480 0.001 0.000 0.356 295 M C 1.193 177.574 176.300 0.135 0.000 1.338 295 M CA 2.582 58.036 55.300 0.256 0.000 0.962 295 M CB -0.179 32.387 32.600 -0.056 0.000 1.877 295 M HN 1.033 nan 8.290 nan 0.000 0.463 296 G N 2.319 111.183 108.800 0.107 0.000 2.217 296 G HA2 -0.246 3.714 3.960 0.001 0.000 0.246 296 G HA3 -0.246 3.714 3.960 0.001 0.000 0.246 296 G C 0.262 175.213 174.900 0.084 0.000 0.990 296 G CA 0.632 45.769 45.100 0.062 0.000 0.627 296 G HN 1.208 nan 8.290 nan 0.000 0.522 297 T N -1.868 112.763 114.554 0.128 0.000 2.922 297 T HA 0.675 5.025 4.350 0.001 0.000 0.281 297 T C 1.657 176.430 174.700 0.121 0.000 1.005 297 T CA 0.892 63.057 62.100 0.109 0.000 0.982 297 T CB 1.470 70.409 68.868 0.117 0.000 1.158 297 T HN 1.065 nan 8.240 nan 0.000 0.566 298 S N -1.300 114.454 115.700 0.090 0.000 2.561 298 S HA 0.043 4.514 4.470 0.001 0.000 0.225 298 S C 1.196 175.861 174.600 0.108 0.000 0.977 298 S CA 0.134 58.386 58.200 0.088 0.000 0.926 298 S CB -1.475 61.756 63.200 0.051 0.000 0.769 298 S HN 1.075 nan 8.310 nan 0.000 0.533 299 C N 1.449 120.814 119.300 0.108 0.000 4.454 299 C HA -0.108 4.353 4.460 0.001 0.000 0.298 299 C C 0.092 175.088 174.990 0.009 0.000 1.384 299 C CA 0.461 59.527 59.018 0.080 0.000 2.002 299 C CB -2.796 25.023 27.740 0.131 0.000 1.249 299 C HN 0.744 nan 8.230 nan 0.000 0.783 300 E N -0.197 119.981 120.200 -0.036 0.000 2.314 300 E HA 0.377 4.727 4.350 0.001 0.000 0.272 300 E C 0.201 176.763 176.600 -0.063 0.000 0.884 300 E CA -0.818 55.469 56.400 -0.188 0.000 0.753 300 E CB 1.029 30.585 29.700 -0.240 0.000 1.213 300 E HN 0.318 nan 8.360 nan 0.000 0.432 301 N N 1.113 119.789 118.700 -0.039 0.000 2.693 301 N HA -0.219 4.522 4.740 0.001 0.000 0.249 301 N C -0.249 175.297 175.510 0.060 0.000 1.119 301 N CA 0.809 53.895 53.050 0.061 0.000 0.717 301 N CB -1.430 37.130 38.487 0.123 0.000 1.071 301 N HN 0.476 nan 8.380 nan 0.000 0.555 302 L N 0.234 121.494 121.223 0.061 0.000 2.473 302 L HA 0.064 4.405 4.340 0.001 0.000 0.268 302 L C -0.572 176.331 176.870 0.055 0.000 1.215 302 L CA -1.281 53.612 54.840 0.088 0.000 0.823 302 L CB 0.090 42.267 42.059 0.196 0.000 1.099 302 L HN -0.171 nan 8.230 nan 0.000 0.483 303 P HA -0.207 nan 4.420 nan 0.000 0.215 303 P C 1.071 178.278 177.300 -0.154 0.000 1.157 303 P CA 1.268 64.339 63.100 -0.048 0.000 0.874 303 P CB 0.178 31.815 31.700 -0.106 0.000 0.790 304 Q N -0.965 118.604 119.800 -0.386 0.000 2.291 304 Q HA -0.051 4.289 4.340 0.001 0.000 0.205 304 Q C 2.148 177.913 176.000 -0.391 0.000 0.970 304 Q CA 1.566 56.970 55.803 -0.666 0.000 0.876 304 Q CB -0.956 26.786 28.738 -1.660 0.000 0.935 304 Q HN 0.206 nan 8.270 nan 0.000 0.455 305 A N 0.187 122.909 122.820 -0.162 0.000 1.898 305 A HA -0.196 4.125 4.320 0.001 0.000 0.216 305 A C 1.692 179.253 177.584 -0.037 0.000 1.181 305 A CA 1.283 53.297 52.037 -0.039 0.000 0.620 305 A CB -0.559 18.433 19.000 -0.013 0.000 0.819 305 A HN 0.369 nan 8.150 nan 0.000 0.442 306 H N -0.376 118.685 119.070 -0.016 0.000 2.357 306 H HA -0.026 4.531 4.556 0.001 0.000 0.301 306 H C 2.602 177.917 175.328 -0.023 0.000 1.082 306 H CA 1.442 57.476 56.048 -0.023 0.000 1.342 306 H CB -0.449 29.222 29.762 -0.153 0.000 1.389 306 H HN 0.519 nan 8.280 nan 0.000 0.511 307 A N 1.210 124.035 122.820 0.008 0.000 1.883 307 A HA -0.135 4.186 4.320 0.001 0.000 0.217 307 A C 2.722 180.264 177.584 -0.069 0.000 1.186 307 A CA 1.175 53.162 52.037 -0.083 0.000 0.624 307 A CB -0.949 17.921 19.000 -0.216 0.000 0.822 307 A HN 0.266 nan 8.150 nan 0.000 0.444 308 L N -0.545 120.633 121.223 -0.076 0.000 2.042 308 L HA -0.195 4.146 4.340 0.001 0.000 0.210 308 L C 2.470 179.516 176.870 0.293 0.000 1.076 308 L CA 1.350 56.191 54.840 0.002 0.000 0.749 308 L CB -0.460 41.612 42.059 0.022 0.000 0.893 308 L HN 0.395 nan 8.230 nan 0.000 0.432 309 I N -0.717 120.071 120.570 0.363 0.000 2.286 309 I HA -0.267 3.903 4.170 0.001 0.000 0.248 309 I C 2.603 178.975 176.117 0.425 0.000 1.115 309 I CA 1.164 62.756 61.300 0.487 0.000 1.392 309 I CB -0.318 37.913 38.000 0.385 0.000 1.065 309 I HN 0.225 nan 8.210 nan 0.000 0.418 310 R N 0.680 121.333 120.500 0.254 0.000 2.148 310 R HA -0.043 4.298 4.340 0.001 0.000 0.223 310 R C 2.407 178.795 176.300 0.147 0.000 1.088 310 R CA 1.150 57.351 56.100 0.169 0.000 0.985 310 R CB -0.274 30.066 30.300 0.067 0.000 0.880 310 R HN 0.344 nan 8.270 nan 0.000 0.451 311 A N 0.700 123.595 122.820 0.126 0.000 1.873 311 A HA -0.106 4.215 4.320 0.001 0.000 0.215 311 A C 1.882 179.634 177.584 0.279 0.000 1.186 311 A CA 0.956 53.032 52.037 0.064 0.000 0.616 311 A CB -0.582 18.294 19.000 -0.207 0.000 0.823 311 A HN 0.199 nan 8.150 nan 0.000 0.442 312 F N 0.128 120.339 119.950 0.434 0.000 2.134 312 F HA -0.218 4.310 4.527 0.001 0.000 0.299 312 F C 2.300 178.331 175.800 0.385 0.000 1.097 312 F CA 1.647 59.887 58.000 0.399 0.000 1.264 312 F CB -0.371 38.783 39.000 0.257 0.000 1.001 312 F HN 0.381 nan 8.300 nan 0.000 0.479 313 N N 0.303 119.347 118.700 0.572 0.000 2.061 313 N HA -0.235 4.506 4.740 0.001 0.000 0.193 313 N C 1.857 177.342 175.510 -0.042 0.000 1.030 313 N CA 1.418 54.532 53.050 0.106 0.000 0.856 313 N CB -0.232 38.271 38.487 0.026 0.000 1.023 313 N HN 0.207 nan 8.380 nan 0.000 0.424 314 A N 0.040 122.885 122.820 0.041 0.000 1.908 314 A HA -0.104 4.216 4.320 0.001 0.000 0.218 314 A C 2.359 179.952 177.584 0.015 0.000 1.181 314 A CA 1.595 53.626 52.037 -0.012 0.000 0.627 314 A CB -0.923 18.093 19.000 0.027 0.000 0.818 314 A HN 0.220 nan 8.150 nan 0.000 0.445 315 V N -0.015 119.977 119.914 0.130 0.000 2.392 315 V HA -0.311 3.810 4.120 0.001 0.000 0.249 315 V C 2.640 178.784 176.094 0.083 0.000 1.059 315 V CA 2.053 64.446 62.300 0.155 0.000 1.051 315 V CB -0.702 31.263 31.823 0.236 0.000 0.658 315 V HN 0.518 nan 8.190 nan 0.000 0.455 316 M N -0.758 118.858 119.600 0.027 0.000 2.254 316 M HA -0.030 4.450 4.480 0.001 0.000 0.265 316 M C 2.241 178.444 176.300 -0.161 0.000 1.066 316 M CA 1.368 56.632 55.300 -0.059 0.000 1.123 316 M CB -1.105 31.389 32.600 -0.177 0.000 1.388 316 M HN 0.282 nan 8.290 nan 0.000 0.425 317 R N 0.146 120.474 120.500 -0.287 0.000 2.189 317 R HA 0.035 4.376 4.340 0.001 0.000 0.223 317 R C 1.994 178.077 176.300 -0.362 0.000 1.092 317 R CA 1.085 56.871 56.100 -0.523 0.000 0.989 317 R CB -0.578 29.105 30.300 -1.028 0.000 0.876 317 R HN 0.433 nan 8.270 nan 0.000 0.457 318 I N -0.644 119.817 120.570 -0.182 0.000 2.810 318 I HA 0.004 4.174 4.170 0.001 0.000 0.262 318 I C 1.859 177.925 176.117 -0.087 0.000 1.131 318 I CA 0.839 62.051 61.300 -0.146 0.000 1.453 318 I CB -0.007 37.935 38.000 -0.096 0.000 1.161 318 I HN -0.027 nan 8.210 nan 0.000 0.444 319 A N 0.174 123.036 122.820 0.069 0.000 2.431 319 A HA 0.730 5.051 4.320 0.001 0.000 0.239 319 A C 0.908 178.648 177.584 0.260 0.000 1.230 319 A CA 0.512 52.686 52.037 0.227 0.000 0.928 319 A CB 0.273 19.466 19.000 0.321 0.000 1.006 319 A HN 0.275 nan 8.150 nan 0.000 0.520 320 A N -0.332 122.564 122.820 0.128 0.000 3.024 320 A HA 0.538 4.859 4.320 0.001 0.000 0.251 320 A C -2.140 175.463 177.584 0.032 0.000 1.267 320 A CA -0.323 51.790 52.037 0.126 0.000 1.050 320 A CB -0.159 18.905 19.000 0.107 0.000 1.400 320 A HN 0.013 nan 8.150 nan 0.000 0.756 321 P HA -0.248 nan 4.420 nan 0.000 0.217 321 P C 1.789 179.115 177.300 0.043 0.000 1.148 321 P CA 2.306 65.382 63.100 -0.040 0.000 0.834 321 P CB 0.309 31.996 31.700 -0.022 0.000 0.783 322 A N -1.112 121.739 122.820 0.051 0.000 2.067 322 A HA -0.043 4.278 4.320 0.001 0.000 0.219 322 A C 1.019 178.709 177.584 0.176 0.000 1.158 322 A CA 0.701 52.765 52.037 0.044 0.000 0.661 322 A CB -1.055 17.899 19.000 -0.076 0.000 0.801 322 A HN 0.051 nan 8.150 nan 0.000 0.452 323 V N 1.597 121.590 119.914 0.132 0.000 2.415 323 V HA 0.235 4.356 4.120 0.001 0.000 0.267 323 V C -0.362 175.808 176.094 0.126 0.000 1.042 323 V CA 0.052 62.439 62.300 0.144 0.000 1.000 323 V CB -0.531 31.325 31.823 0.055 0.000 1.015 323 V HN 0.299 nan 8.190 nan 0.000 0.478 324 F N 4.523 124.469 119.950 -0.006 0.000 2.450 324 F HA 0.712 5.239 4.527 0.001 0.000 0.328 324 F C 0.004 175.853 175.800 0.081 0.000 1.068 324 F CA -1.114 56.857 58.000 -0.049 0.000 1.007 324 F CB 1.384 40.495 39.000 0.184 0.000 1.251 324 F HN 0.243 nan 8.300 nan 0.000 0.492 325 F N 0.743 120.760 119.950 0.111 0.000 2.492 325 F HA 0.475 5.002 4.527 0.001 0.000 0.327 325 F C -0.085 175.753 175.800 0.063 0.000 1.079 325 F CA -1.748 56.269 58.000 0.028 0.000 0.967 325 F CB 1.571 40.548 39.000 -0.038 0.000 1.169 325 F HN 0.186 nan 8.300 nan 0.000 0.472 326 K N 1.501 122.046 120.400 0.241 0.000 2.507 326 K HA 0.401 4.722 4.320 0.001 0.000 0.253 326 K C -0.506 176.202 176.600 0.179 0.000 0.969 326 K CA -0.264 56.117 56.287 0.158 0.000 0.908 326 K CB 1.250 33.799 32.500 0.083 0.000 1.127 326 K HN 0.644 nan 8.250 nan 0.000 0.437 327 S N 3.077 118.896 115.700 0.197 0.000 2.531 327 S HA 0.031 4.502 4.470 0.001 0.000 0.279 327 S C -0.372 174.392 174.600 0.273 0.000 1.305 327 S CA -0.318 57.990 58.200 0.181 0.000 1.058 327 S CB 0.685 63.991 63.200 0.176 0.000 0.899 327 S HN 0.701 nan 8.310 nan 0.000 0.493 328 E N 3.672 123.965 120.200 0.155 0.000 2.173 328 E HA 0.477 4.828 4.350 0.001 0.000 0.249 328 E C -1.245 175.341 176.600 -0.024 0.000 0.923 328 E CA -0.489 55.953 56.400 0.071 0.000 0.754 328 E CB 0.726 30.416 29.700 -0.016 0.000 1.177 328 E HN 0.682 nan 8.360 nan 0.000 0.430 329 A N 6.463 129.277 122.820 -0.011 0.000 2.586 329 A HA 0.334 4.654 4.320 0.001 0.000 0.320 329 A C -0.387 177.231 177.584 0.057 0.000 1.281 329 A CA -0.616 51.374 52.037 -0.078 0.000 0.775 329 A CB 0.195 19.049 19.000 -0.242 0.000 1.122 329 A HN 0.475 nan 8.150 nan 0.000 0.470 330 I N 4.333 124.931 120.570 0.047 0.000 2.206 330 I HA 0.244 4.415 4.170 0.001 0.000 0.292 330 I C 0.401 176.562 176.117 0.074 0.000 1.156 330 I CA 0.222 61.559 61.300 0.061 0.000 1.356 330 I CB -0.930 37.081 38.000 0.019 0.000 1.494 330 I HN 0.433 nan 8.210 nan 0.000 0.601 331 V N 1.107 121.081 119.914 0.100 0.000 3.204 331 V HA 0.515 4.636 4.120 0.001 0.000 0.308 331 V C 0.311 176.493 176.094 0.147 0.000 1.324 331 V CA -1.018 61.350 62.300 0.114 0.000 1.042 331 V CB 1.781 33.678 31.823 0.124 0.000 1.167 331 V HN 0.494 nan 8.190 nan 0.000 0.478 332 H N 1.639 120.753 119.070 0.072 0.000 2.928 332 H HA 0.237 4.793 4.556 0.001 0.000 0.338 332 H C -2.043 173.355 175.328 0.117 0.000 1.047 332 H CA -0.688 55.403 56.048 0.072 0.000 1.435 332 H CB 1.765 31.560 29.762 0.055 0.000 1.428 332 H HN 0.376 nan 8.280 nan 0.000 0.590 333 P HA -0.201 nan 4.420 nan 0.000 0.218 333 P C 1.044 178.551 177.300 0.345 0.000 1.154 333 P CA 1.646 64.862 63.100 0.193 0.000 0.872 333 P CB 0.343 32.080 31.700 0.061 0.000 0.790 334 D N -1.343 119.371 120.400 0.524 0.000 2.182 334 D HA -0.163 4.478 4.640 0.001 0.000 0.201 334 D C 2.002 178.427 176.300 0.208 0.000 0.986 334 D CA 1.065 55.240 54.000 0.291 0.000 0.847 334 D CB -0.350 40.538 40.800 0.147 0.000 0.942 334 D HN 0.267 nan 8.370 nan 0.000 0.467 335 Q N 0.179 120.133 119.800 0.257 0.000 2.163 335 Q HA 0.007 4.348 4.340 0.001 0.000 0.198 335 Q C 2.624 178.837 176.000 0.354 0.000 0.954 335 Q CA 0.219 56.161 55.803 0.233 0.000 0.851 335 Q CB -0.529 28.351 28.738 0.236 0.000 0.928 335 Q HN 0.203 nan 8.270 nan 0.000 0.459 336 V N 0.885 121.027 119.914 0.380 0.000 2.282 336 V HA -0.210 3.911 4.120 0.001 0.000 0.249 336 V C 2.350 178.723 176.094 0.465 0.000 1.057 336 V CA 1.855 64.423 62.300 0.448 0.000 1.032 336 V CB -0.749 31.314 31.823 0.401 0.000 0.645 336 V HN 0.177 nan 8.190 nan 0.000 0.447 337 V N -0.746 119.382 119.914 0.356 0.000 2.809 337 V HA -0.227 3.894 4.120 0.001 0.000 0.256 337 V C 2.293 178.442 176.094 0.091 0.000 1.080 337 V CA 1.808 64.233 62.300 0.207 0.000 1.102 337 V CB -0.272 31.668 31.823 0.195 0.000 0.705 337 V HN 0.645 nan 8.190 nan 0.000 0.475 338 Q N -1.320 118.521 119.800 0.069 0.000 2.364 338 Q HA -0.131 4.210 4.340 0.001 0.000 0.207 338 Q C 1.552 177.464 176.000 -0.146 0.000 0.970 338 Q CA 1.547 57.261 55.803 -0.148 0.000 0.888 338 Q CB -0.054 28.482 28.738 -0.337 0.000 0.951 338 Q HN 0.832 nan 8.270 nan 0.000 0.469 339 Y N -0.444 119.983 120.300 0.212 0.000 2.523 339 Y HA 0.133 4.684 4.550 0.001 0.000 0.279 339 Y C 0.517 176.490 175.900 0.122 0.000 1.139 339 Y CA 0.007 58.258 58.100 0.250 0.000 1.296 339 Y CB 0.577 39.173 38.460 0.227 0.000 1.045 339 Y HN -0.021 nan 8.280 nan 0.000 0.538 340 I N 0.781 121.440 120.570 0.148 0.000 2.304 340 I HA 0.537 4.707 4.170 0.001 0.000 0.291 340 I C 0.508 176.602 176.117 -0.039 0.000 1.018 340 I CA -0.153 61.155 61.300 0.013 0.000 1.260 340 I CB 0.690 38.593 38.000 -0.163 0.000 1.390 340 I HN 0.113 nan 8.210 nan 0.000 0.475 341 G N 3.962 112.752 108.800 -0.017 0.000 2.556 341 G HA2 0.123 4.084 3.960 0.001 0.000 0.294 341 G HA3 0.123 4.084 3.960 0.001 0.000 0.294 341 G C -0.288 174.598 174.900 -0.024 0.000 1.516 341 G CA -0.519 44.561 45.100 -0.032 0.000 0.824 341 G HN 0.569 nan 8.290 nan 0.000 0.535 342 Q N -0.396 119.392 119.800 -0.019 0.000 2.152 342 Q HA -0.158 4.183 4.340 0.001 0.000 0.206 342 Q C 0.972 176.914 176.000 -0.097 0.000 0.985 342 Q CA 2.192 57.973 55.803 -0.037 0.000 0.863 342 Q CB 0.091 28.844 28.738 0.025 0.000 0.904 342 Q HN 0.506 nan 8.270 nan 0.000 0.422 343 D N -0.590 119.776 120.400 -0.056 0.000 2.328 343 D HA 0.050 4.691 4.640 0.001 0.000 0.221 343 D C 0.477 176.775 176.300 -0.004 0.000 1.072 343 D CA 0.257 54.224 54.000 -0.056 0.000 0.850 343 D CB 0.500 41.281 40.800 -0.032 0.000 0.922 343 D HN 0.423 nan 8.370 nan 0.000 0.516 344 E N -1.074 119.146 120.200 0.032 0.000 3.788 344 E HA 0.210 4.561 4.350 0.001 0.000 0.252 344 E C -0.578 176.149 176.600 0.212 0.000 1.028 344 E CA -0.401 56.092 56.400 0.155 0.000 0.965 344 E CB 0.935 30.734 29.700 0.165 0.000 2.914 344 E HN -0.083 nan 8.360 nan 0.000 0.544 345 C N 2.242 121.676 119.300 0.223 0.000 2.273 345 C HA 0.281 4.742 4.460 0.001 0.000 0.328 345 C C 0.926 175.978 174.990 0.103 0.000 1.275 345 C CA -0.445 58.717 59.018 0.240 0.000 1.704 345 C CB 0.568 28.470 27.740 0.270 0.000 2.326 345 C HN 0.606 nan 8.230 nan 0.000 0.517 346 Q N 2.121 121.953 119.800 0.054 0.000 2.224 346 Q HA 0.044 4.385 4.340 0.001 0.000 0.203 346 Q C 0.635 176.649 176.000 0.024 0.000 0.970 346 Q CA 1.117 56.942 55.803 0.036 0.000 0.865 346 Q CB -0.006 28.800 28.738 0.113 0.000 0.922 346 Q HN 0.902 nan 8.270 nan 0.000 0.445 347 I N -5.067 115.535 120.570 0.053 0.000 3.074 347 I HA 0.881 5.052 4.170 0.001 0.000 0.310 347 I C -0.431 175.717 176.117 0.051 0.000 1.153 347 I CA -1.397 59.900 61.300 -0.005 0.000 0.993 347 I CB 2.343 40.328 38.000 -0.024 0.000 1.237 347 I HN -0.084 nan 8.210 nan 0.000 0.443 348 G N 1.496 110.337 108.800 0.068 0.000 2.703 348 G HA2 0.498 4.459 3.960 0.001 0.000 0.294 348 G HA3 0.498 4.459 3.960 0.001 0.000 0.294 348 G C -1.886 173.210 174.900 0.327 0.000 1.451 348 G CA -0.677 44.542 45.100 0.198 0.000 0.869 348 G HN 0.574 nan 8.290 nan 0.000 0.516 349 Y N 0.665 121.112 120.300 0.245 0.000 2.683 349 Y HA 0.154 4.704 4.550 0.001 0.000 0.340 349 Y C 1.175 177.338 175.900 0.438 0.000 1.245 349 Y CA 0.442 58.690 58.100 0.246 0.000 1.485 349 Y CB 0.824 39.305 38.460 0.035 0.000 1.328 349 Y HN 0.460 nan 8.280 nan 0.000 0.603 350 N N 4.897 123.924 118.700 0.544 0.000 3.228 350 N HA 0.189 4.930 4.740 0.001 0.000 0.289 350 N C -2.059 173.487 175.510 0.061 0.000 1.419 350 N CA -2.395 50.651 53.050 -0.007 0.000 1.088 350 N CB 0.407 38.643 38.487 -0.417 0.000 1.357 350 N HN 0.302 nan 8.380 nan 0.000 0.504 351 P HA -0.181 nan 4.420 nan 0.000 0.218 351 P C 1.580 178.858 177.300 -0.037 0.000 1.148 351 P CA 0.474 63.642 63.100 0.114 0.000 0.822 351 P CB 0.624 32.421 31.700 0.161 0.000 0.784 352 L N 0.516 121.694 121.223 -0.074 0.000 1.976 352 L HA -0.165 4.176 4.340 0.001 0.000 0.209 352 L C 2.819 179.633 176.870 -0.093 0.000 1.071 352 L CA 1.987 56.792 54.840 -0.058 0.000 0.746 352 L CB -1.829 40.181 42.059 -0.081 0.000 0.890 352 L HN -0.072 nan 8.230 nan 0.000 0.432 353 Q N -1.248 118.424 119.800 -0.213 0.000 2.030 353 Q HA -0.272 4.069 4.340 0.001 0.000 0.204 353 Q C 2.298 178.192 176.000 -0.177 0.000 0.986 353 Q CA 2.389 58.074 55.803 -0.196 0.000 0.843 353 Q CB -0.313 28.271 28.738 -0.257 0.000 0.904 353 Q HN 0.567 nan 8.270 nan 0.000 0.420 354 M N 0.469 119.902 119.600 -0.279 0.000 2.073 354 M HA -0.208 4.273 4.480 0.001 0.000 0.258 354 M C 2.041 178.295 176.300 -0.076 0.000 1.070 354 M CA 2.344 57.433 55.300 -0.351 0.000 1.103 354 M CB -1.009 31.082 32.600 -0.849 0.000 1.321 354 M HN 0.324 nan 8.290 nan 0.000 0.405 355 A N 0.322 123.138 122.820 -0.007 0.000 1.972 355 A HA -0.136 4.185 4.320 0.001 0.000 0.219 355 A C 2.194 180.000 177.584 0.369 0.000 1.169 355 A CA 1.468 53.630 52.037 0.208 0.000 0.635 355 A CB -0.878 18.245 19.000 0.206 0.000 0.810 355 A HN 0.639 nan 8.150 nan 0.000 0.446 356 L N -0.812 120.520 121.223 0.180 0.000 2.313 356 L HA -0.034 4.307 4.340 0.001 0.000 0.214 356 L C 2.351 179.248 176.870 0.045 0.000 1.119 356 L CA 0.266 55.180 54.840 0.123 0.000 0.809 356 L CB -0.366 41.709 42.059 0.028 0.000 0.933 356 L HN 0.384 nan 8.230 nan 0.000 0.449 357 L N -1.383 119.835 121.223 -0.008 0.000 2.005 357 L HA -0.201 4.140 4.340 0.001 0.000 0.207 357 L C 2.392 179.257 176.870 -0.007 0.000 1.072 357 L CA 1.819 56.611 54.840 -0.080 0.000 0.744 357 L CB -0.491 41.401 42.059 -0.278 0.000 0.895 357 L HN 0.324 nan 8.230 nan 0.000 0.433 358 W N 0.253 121.660 121.300 0.178 0.000 2.363 358 W HA -0.204 4.457 4.660 0.001 0.000 0.296 358 W C 2.534 179.303 176.519 0.416 0.000 1.212 358 W CA 1.264 58.771 57.345 0.270 0.000 1.260 358 W CB -0.487 28.991 29.460 0.029 0.000 1.131 358 W HN 0.275 nan 8.180 nan 0.000 0.530 359 N N -0.261 118.726 118.700 0.478 0.000 2.084 359 N HA -0.178 4.563 4.740 0.001 0.000 0.190 359 N C 1.495 177.081 175.510 0.126 0.000 1.030 359 N CA 2.624 55.804 53.050 0.218 0.000 0.849 359 N CB -0.558 38.013 38.487 0.140 0.000 1.012 359 N HN -0.108 nan 8.380 nan 0.000 0.423 360 T N 0.613 115.197 114.554 0.049 0.000 2.833 360 T HA -0.040 4.311 4.350 0.001 0.000 0.269 360 T C 1.814 176.618 174.700 0.175 0.000 1.054 360 T CA 0.767 62.808 62.100 -0.099 0.000 1.135 360 T CB -0.249 68.225 68.868 -0.657 0.000 0.869 360 T HN 0.193 nan 8.240 nan 0.000 0.466 361 L N 0.433 121.898 121.223 0.402 0.000 2.131 361 L HA -0.094 4.247 4.340 0.001 0.000 0.210 361 L C 2.922 180.030 176.870 0.396 0.000 1.092 361 L CA 1.151 56.341 54.840 0.583 0.000 0.759 361 L CB -0.543 41.941 42.059 0.708 0.000 0.903 361 L HN 0.288 nan 8.230 nan 0.000 0.435 362 A N -0.246 122.581 122.820 0.012 0.000 1.874 362 A HA -0.166 4.155 4.320 0.001 0.000 0.214 362 A C 2.343 179.706 177.584 -0.369 0.000 1.189 362 A CA 1.883 53.427 52.037 -0.820 0.000 0.615 362 A CB -0.757 17.486 19.000 -1.262 0.000 0.830 362 A HN 0.466 nan 8.150 nan 0.000 0.443 363 T N -5.247 109.240 114.554 -0.111 0.000 3.067 363 T HA 0.138 4.489 4.350 0.001 0.000 0.257 363 T C 0.981 175.704 174.700 0.038 0.000 1.105 363 T CA 0.881 62.941 62.100 -0.066 0.000 1.104 363 T CB -0.027 68.812 68.868 -0.048 0.000 0.925 363 T HN 0.374 nan 8.240 nan 0.000 0.498 364 R N 0.653 121.223 120.500 0.116 0.000 3.994 364 R HA -0.116 4.224 4.340 0.001 0.000 0.403 364 R C -0.758 175.693 176.300 0.252 0.000 1.126 364 R CA 1.243 57.479 56.100 0.226 0.000 1.143 364 R CB -2.366 28.055 30.300 0.200 0.000 1.695 364 R HN 0.695 nan 8.270 nan 0.000 0.555 365 E N -0.237 120.005 120.200 0.070 0.000 2.145 365 E HA 0.290 4.641 4.350 0.001 0.000 0.270 365 E C 0.817 177.348 176.600 -0.114 0.000 0.906 365 E CA 0.057 56.441 56.400 -0.027 0.000 0.761 365 E CB 1.699 31.353 29.700 -0.076 0.000 1.116 365 E HN 0.103 nan 8.360 nan 0.000 0.408 366 V N 0.795 120.635 119.914 -0.123 0.000 3.573 366 V HA -0.131 3.990 4.120 0.001 0.000 0.270 366 V C 1.304 177.347 176.094 -0.085 0.000 1.221 366 V CA 0.672 62.871 62.300 -0.168 0.000 1.163 366 V CB -1.030 30.739 31.823 -0.091 0.000 0.847 366 V HN 0.589 nan 8.190 nan 0.000 0.468 367 N N 2.611 121.257 118.700 -0.090 0.000 2.036 367 N HA -0.297 4.444 4.740 0.001 0.000 0.199 367 N C 1.527 177.025 175.510 -0.020 0.000 1.036 367 N CA 2.704 55.721 53.050 -0.055 0.000 0.870 367 N CB -1.151 37.279 38.487 -0.095 0.000 1.055 367 N HN 0.539 nan 8.380 nan 0.000 0.436 368 L N -1.075 120.095 121.223 -0.089 0.000 2.056 368 L HA -0.043 4.298 4.340 0.001 0.000 0.207 368 L C 2.506 179.355 176.870 -0.036 0.000 1.078 368 L CA 0.683 55.472 54.840 -0.085 0.000 0.749 368 L CB -0.481 41.465 42.059 -0.188 0.000 0.901 368 L HN 0.162 nan 8.230 nan 0.000 0.433 369 L N -0.660 120.524 121.223 -0.064 0.000 2.017 369 L HA -0.279 4.061 4.340 0.001 0.000 0.208 369 L C 2.711 179.573 176.870 -0.013 0.000 1.073 369 L CA 1.881 56.682 54.840 -0.065 0.000 0.745 369 L CB -0.886 41.083 42.059 -0.149 0.000 0.894 369 L HN 0.298 nan 8.230 nan 0.000 0.432 370 H N -0.659 118.378 119.070 -0.055 0.000 2.387 370 H HA -0.226 4.331 4.556 0.001 0.000 0.299 370 H C 2.115 177.426 175.328 -0.028 0.000 1.099 370 H CA 2.118 58.150 56.048 -0.028 0.000 1.315 370 H CB 0.136 29.888 29.762 -0.016 0.000 1.380 370 H HN 0.594 nan 8.280 nan 0.000 0.513 371 Q N 0.216 120.044 119.800 0.047 0.000 2.061 371 Q HA -0.130 4.210 4.340 0.001 0.000 0.204 371 Q C 2.432 178.474 176.000 0.070 0.000 0.984 371 Q CA 1.617 57.482 55.803 0.104 0.000 0.846 371 Q CB -0.127 28.723 28.738 0.187 0.000 0.902 371 Q HN 0.527 nan 8.270 nan 0.000 0.421 372 A N 0.691 123.530 122.820 0.032 0.000 1.898 372 A HA -0.131 4.190 4.320 0.001 0.000 0.216 372 A C 2.031 179.601 177.584 -0.023 0.000 1.181 372 A CA 1.155 53.212 52.037 0.034 0.000 0.620 372 A CB -0.667 18.334 19.000 0.001 0.000 0.819 372 A HN 0.458 nan 8.150 nan 0.000 0.442 373 L N -0.712 120.436 121.223 -0.125 0.000 2.275 373 L HA -0.113 4.228 4.340 0.001 0.000 0.215 373 L C 2.510 179.248 176.870 -0.220 0.000 1.119 373 L CA 1.480 56.206 54.840 -0.189 0.000 0.790 373 L CB -0.630 41.265 42.059 -0.273 0.000 0.919 373 L HN 0.349 nan 8.230 nan 0.000 0.443 374 T N -1.781 112.556 114.554 -0.361 0.000 2.894 374 T HA -0.066 4.285 4.350 0.001 0.000 0.258 374 T C 1.295 175.701 174.700 -0.490 0.000 1.043 374 T CA 1.112 62.879 62.100 -0.555 0.000 1.141 374 T CB -0.063 68.226 68.868 -0.965 0.000 0.873 374 T HN 0.214 nan 8.240 nan 0.000 0.449 375 Y N 0.468 120.766 120.300 -0.004 0.000 2.462 375 Y HA 0.409 4.959 4.550 0.001 0.000 0.253 375 Y C 1.810 177.764 175.900 0.090 0.000 1.095 375 Y CA -0.232 57.895 58.100 0.045 0.000 1.283 375 Y CB 0.368 38.859 38.460 0.052 0.000 1.138 375 Y HN -0.043 nan 8.280 nan 0.000 0.522 376 R N -1.552 119.085 120.500 0.229 0.000 2.600 376 R HA 0.137 4.478 4.340 0.001 0.000 0.392 376 R C 0.532 177.021 176.300 0.315 0.000 1.032 376 R CA 0.084 56.334 56.100 0.251 0.000 1.139 376 R CB 0.105 30.535 30.300 0.218 0.000 1.400 376 R HN 0.260 nan 8.270 nan 0.000 0.566 377 H N 0.497 119.676 119.070 0.183 0.000 2.337 377 H HA 0.205 4.762 4.556 0.001 0.000 0.311 377 H C 0.320 175.884 175.328 0.393 0.000 1.054 377 H CA 0.649 56.863 56.048 0.277 0.000 1.385 377 H CB 0.421 30.215 29.762 0.053 0.000 1.437 377 H HN -0.073 nan 8.280 nan 0.000 0.553 378 N N 1.478 120.280 118.700 0.171 0.000 2.407 378 N HA 0.075 4.815 4.740 0.001 0.000 0.250 378 N C -0.625 174.857 175.510 -0.046 0.000 1.236 378 N CA 0.450 53.521 53.050 0.036 0.000 0.879 378 N CB 0.764 39.290 38.487 0.064 0.000 1.088 378 N HN 0.309 nan 8.380 nan 0.000 0.450 379 L N 1.896 123.020 121.223 -0.164 0.000 2.256 379 L HA 0.587 4.927 4.340 0.001 0.000 0.261 379 L C -1.983 174.782 176.870 -0.176 0.000 1.022 379 L CA -1.992 52.707 54.840 -0.235 0.000 0.828 379 L CB 1.358 43.141 42.059 -0.459 0.000 1.374 379 L HN 0.278 nan 8.230 nan 0.000 0.436 380 P HA 0.082 nan 4.420 nan 0.000 0.271 380 P C -0.890 176.302 177.300 -0.180 0.000 1.233 380 P CA -0.435 62.579 63.100 -0.142 0.000 0.789 380 P CB 0.356 31.985 31.700 -0.117 0.000 0.951 381 E N 0.830 120.895 120.200 -0.224 0.000 2.418 381 E HA -0.065 4.286 4.350 0.001 0.000 0.261 381 E C 0.063 176.439 176.600 -0.373 0.000 1.070 381 E CA 0.232 56.380 56.400 -0.420 0.000 0.931 381 E CB -0.099 29.201 29.700 -0.667 0.000 0.954 381 E HN 0.553 nan 8.360 nan 0.000 0.439 382 H N -1.512 117.534 119.070 -0.039 0.000 2.820 382 H HA -0.157 4.400 4.556 0.001 0.000 0.295 382 H C 0.008 175.312 175.328 -0.040 0.000 1.187 382 H CA 1.298 57.336 56.048 -0.017 0.000 1.144 382 H CB -2.465 27.304 29.762 0.012 0.000 1.354 382 H HN 0.630 nan 8.280 nan 0.000 0.395 383 T N -3.050 111.477 114.554 -0.045 0.000 2.883 383 T HA 0.910 5.261 4.350 0.001 0.000 0.301 383 T C -0.402 174.186 174.700 -0.186 0.000 1.158 383 T CA -0.322 61.715 62.100 -0.105 0.000 1.007 383 T CB 3.272 72.046 68.868 -0.157 0.000 1.186 383 T HN 0.803 nan 8.240 nan 0.000 0.499 384 A N 0.376 123.065 122.820 -0.218 0.000 2.606 384 A HA 0.721 5.041 4.320 0.001 0.000 0.293 384 A C -1.784 175.668 177.584 -0.220 0.000 1.082 384 A CA -1.242 50.659 52.037 -0.226 0.000 0.685 384 A CB 0.963 19.871 19.000 -0.153 0.000 1.284 384 A HN 0.859 nan 8.150 nan 0.000 0.408 385 W N 0.249 121.491 121.300 -0.097 0.000 2.283 385 W HA 0.528 5.189 4.660 0.001 0.000 0.341 385 W C -0.239 176.237 176.519 -0.071 0.000 1.206 385 W CA -0.494 56.815 57.345 -0.061 0.000 1.294 385 W CB 1.626 31.049 29.460 -0.061 0.000 1.154 385 W HN 0.411 nan 8.180 nan 0.000 0.613 386 V N 4.353 124.432 119.914 0.276 0.000 2.313 386 V HA 0.178 4.298 4.120 0.001 0.000 0.278 386 V C -0.372 175.834 176.094 0.187 0.000 1.017 386 V CA -1.018 61.303 62.300 0.035 0.000 0.823 386 V CB 0.271 31.938 31.823 -0.260 0.000 1.010 386 V HN 0.416 nan 8.190 nan 0.000 0.443 387 N N 5.169 123.971 118.700 0.170 0.000 2.434 387 N HA 0.497 5.238 4.740 0.001 0.000 0.272 387 N C -0.811 174.862 175.510 0.272 0.000 1.040 387 N CA -0.182 52.985 53.050 0.194 0.000 0.956 387 N CB 1.741 40.285 38.487 0.095 0.000 1.108 387 N HN 0.696 nan 8.380 nan 0.000 0.481 388 Y N -1.918 118.400 120.300 0.030 0.000 2.609 388 Y HA 0.571 5.122 4.550 0.001 0.000 0.342 388 Y C 0.179 176.054 175.900 -0.042 0.000 1.058 388 Y CA -1.167 56.962 58.100 0.048 0.000 1.055 388 Y CB 0.320 38.874 38.460 0.156 0.000 1.292 388 Y HN 0.048 nan 8.280 nan 0.000 0.476 389 V N 0.243 120.097 119.914 -0.101 0.000 2.908 389 V HA 0.386 4.507 4.120 0.001 0.000 0.240 389 V C 0.425 176.580 176.094 0.102 0.000 1.117 389 V CA 0.584 62.733 62.300 -0.252 0.000 1.133 389 V CB -0.100 31.268 31.823 -0.759 0.000 0.857 389 V HN 0.733 nan 8.190 nan 0.000 0.478 390 R N -0.345 120.264 120.500 0.180 0.000 2.781 390 R HA 0.679 5.020 4.340 0.001 0.000 0.269 390 R C -0.783 175.577 176.300 0.099 0.000 1.025 390 R CA 0.203 56.333 56.100 0.050 0.000 0.914 390 R CB 2.062 32.280 30.300 -0.137 0.000 1.236 390 R HN 0.398 nan 8.270 nan 0.000 0.465 391 S N -1.095 114.467 115.700 -0.231 0.000 2.819 391 S HA 0.285 4.756 4.470 0.001 0.000 0.299 391 S C 0.850 175.225 174.600 -0.374 0.000 1.192 391 S CA -0.602 57.535 58.200 -0.106 0.000 0.847 391 S CB 0.905 64.111 63.200 0.011 0.000 1.224 391 S HN 0.797 nan 8.310 nan 0.000 0.537 392 H N -0.043 119.057 119.070 0.050 0.000 2.521 392 H HA 0.201 4.758 4.556 0.001 0.000 0.286 392 H C -0.416 174.983 175.328 0.118 0.000 1.034 392 H CA 0.753 56.940 56.048 0.231 0.000 1.278 392 H CB -0.559 29.389 29.762 0.311 0.000 1.386 392 H HN 0.462 nan 8.280 nan 0.000 0.567 393 D N 2.001 122.022 120.400 -0.632 0.000 2.437 393 D HA 0.051 4.692 4.640 0.001 0.000 0.259 393 D C 0.477 176.475 176.300 -0.503 0.000 1.118 393 D CA -0.409 53.273 54.000 -0.530 0.000 1.017 393 D CB 1.141 41.578 40.800 -0.606 0.000 1.120 393 D HN 0.370 nan 8.370 nan 0.000 0.541 394 D N -0.312 119.828 120.400 -0.434 0.000 2.369 394 D HA 0.075 4.716 4.640 0.001 0.000 0.241 394 D C 0.161 176.207 176.300 -0.424 0.000 1.271 394 D CA -0.107 53.650 54.000 -0.405 0.000 0.942 394 D CB 0.908 41.560 40.800 -0.248 0.000 1.129 394 D HN 0.240 nan 8.370 nan 0.000 0.476 395 I N 0.060 120.321 120.570 -0.514 0.000 2.321 395 I HA 0.333 4.504 4.170 0.001 0.000 0.291 395 I C 0.804 176.456 176.117 -0.774 0.000 0.998 395 I CA -0.537 60.352 61.300 -0.686 0.000 1.227 395 I CB 1.531 38.933 38.000 -0.997 0.000 1.368 395 I HN 0.381 nan 8.210 nan 0.000 0.466 396 G N 4.954 113.393 108.800 -0.601 0.000 2.371 396 G HA2 0.371 4.332 3.960 0.001 0.000 0.326 396 G HA3 0.371 4.332 3.960 0.001 0.000 0.326 396 G C -1.169 173.403 174.900 -0.548 0.000 1.127 396 G CA -0.503 44.295 45.100 -0.503 0.000 0.885 396 G HN 0.675 nan 8.290 nan 0.000 0.477 397 W N 2.216 123.494 121.300 -0.036 0.000 1.518 397 W HA 0.279 4.940 4.660 0.001 0.000 0.426 397 W C 1.279 177.671 176.519 -0.212 0.000 0.675 397 W CA -0.743 56.590 57.345 -0.020 0.000 1.936 397 W CB 0.268 29.758 29.460 0.051 0.000 1.749 397 W HN 0.569 nan 8.180 nan 0.000 0.247 398 T N -1.446 113.109 114.554 0.000 0.000 3.500 398 T HA 0.075 4.426 4.350 0.001 0.000 0.244 398 T C 0.132 174.781 174.700 -0.085 0.000 0.962 398 T CA -0.576 61.469 62.100 -0.091 0.000 0.932 398 T CB -1.412 67.436 68.868 -0.032 0.000 1.096 398 T HN 0.157 nan 8.240 nan 0.000 0.617 399 F N 0.150 120.143 119.950 0.072 0.000 2.378 399 F HA 0.765 5.293 4.527 0.001 0.000 0.319 399 F C 0.348 176.098 175.800 -0.083 0.000 1.155 399 F CA -2.359 55.647 58.000 0.010 0.000 1.157 399 F CB 0.162 39.205 39.000 0.073 0.000 1.252 399 F HN 0.144 nan 8.300 nan 0.000 0.550 400 A N 1.695 124.585 122.820 0.116 0.000 2.320 400 A HA 0.266 4.587 4.320 0.001 0.000 0.287 400 A C 0.758 178.460 177.584 0.197 0.000 1.181 400 A CA -0.524 51.465 52.037 -0.080 0.000 0.831 400 A CB -0.163 18.757 19.000 -0.133 0.000 1.102 400 A HN 0.839 nan 8.150 nan 0.000 0.513 401 D N 1.938 122.419 120.400 0.135 0.000 2.149 401 D HA -0.146 4.495 4.640 0.001 0.000 0.198 401 D C 1.579 177.926 176.300 0.078 0.000 0.990 401 D CA 1.969 56.078 54.000 0.183 0.000 0.839 401 D CB 0.035 40.911 40.800 0.127 0.000 0.948 401 D HN 0.785 nan 8.370 nan 0.000 0.460 402 E N 0.497 120.710 120.200 0.022 0.000 2.077 402 E HA -0.137 4.213 4.350 0.001 0.000 0.193 402 E C 1.637 178.028 176.600 -0.349 0.000 0.989 402 E CA 1.123 57.417 56.400 -0.176 0.000 0.800 402 E CB -0.076 29.550 29.700 -0.124 0.000 0.746 402 E HN 0.248 nan 8.360 nan 0.000 0.452 403 D N 0.185 120.521 120.400 -0.107 0.000 2.097 403 D HA -0.113 4.528 4.640 0.001 0.000 0.195 403 D C 1.862 178.164 176.300 0.003 0.000 0.989 403 D CA 1.533 55.529 54.000 -0.007 0.000 0.827 403 D CB -0.419 40.443 40.800 0.103 0.000 0.966 403 D HN 0.216 nan 8.370 nan 0.000 0.456 404 A N 0.816 123.643 122.820 0.012 0.000 1.933 404 A HA -0.015 4.306 4.320 0.001 0.000 0.218 404 A C 2.270 179.829 177.584 -0.042 0.000 1.175 404 A CA 2.022 54.030 52.037 -0.048 0.000 0.628 404 A CB -0.702 18.285 19.000 -0.022 0.000 0.814 404 A HN 0.226 nan 8.150 nan 0.000 0.444 405 A N -1.264 121.519 122.820 -0.061 0.000 1.933 405 A HA -0.133 4.188 4.320 0.001 0.000 0.218 405 A C 2.064 179.656 177.584 0.013 0.000 1.175 405 A CA 1.405 53.408 52.037 -0.057 0.000 0.628 405 A CB -0.882 18.047 19.000 -0.118 0.000 0.814 405 A HN 0.677 nan 8.150 nan 0.000 0.444 406 Y N -0.220 120.078 120.300 -0.002 0.000 2.256 406 Y HA -0.106 4.445 4.550 0.001 0.000 0.288 406 Y C 1.638 177.524 175.900 -0.024 0.000 1.155 406 Y CA 0.638 58.729 58.100 -0.014 0.000 1.203 406 Y CB -0.117 38.331 38.460 -0.020 0.000 0.980 406 Y HN 0.184 nan 8.280 nan 0.000 0.530 407 L N -0.609 120.685 121.223 0.118 0.000 2.629 407 L HA 0.244 4.585 4.340 0.001 0.000 0.230 407 L C 1.312 178.171 176.870 -0.019 0.000 1.151 407 L CA 0.408 55.264 54.840 0.027 0.000 0.924 407 L CB -0.438 41.605 42.059 -0.026 0.000 1.137 407 L HN 0.365 nan 8.230 nan 0.000 0.457 408 G N 1.509 110.310 108.800 0.001 0.000 2.221 408 G HA2 -0.281 3.680 3.960 0.001 0.000 0.265 408 G HA3 -0.281 3.680 3.960 0.001 0.000 0.265 408 G C -0.012 174.858 174.900 -0.051 0.000 1.041 408 G CA 0.033 45.124 45.100 -0.016 0.000 0.807 408 G HN 0.368 nan 8.290 nan 0.000 0.502 409 I N 0.595 121.121 120.570 -0.074 0.000 2.406 409 I HA 0.401 4.572 4.170 0.001 0.000 0.290 409 I C 0.524 176.620 176.117 -0.035 0.000 0.999 409 I CA -0.744 60.482 61.300 -0.122 0.000 1.124 409 I CB 2.061 39.881 38.000 -0.299 0.000 1.289 409 I HN 0.138 nan 8.210 nan 0.000 0.441 410 S N 4.342 120.056 115.700 0.025 0.000 2.422 410 S HA 0.244 4.715 4.470 0.001 0.000 0.283 410 S C 1.313 176.042 174.600 0.215 0.000 1.163 410 S CA -0.136 58.133 58.200 0.115 0.000 1.054 410 S CB 0.823 64.100 63.200 0.129 0.000 0.967 410 S HN 0.862 nan 8.310 nan 0.000 0.499 411 G N 4.258 113.228 108.800 0.282 0.000 2.529 411 G HA2 -0.281 3.679 3.960 0.001 0.000 0.219 411 G HA3 -0.281 3.679 3.960 0.001 0.000 0.219 411 G C 1.063 176.195 174.900 0.387 0.000 1.177 411 G CA 1.286 46.669 45.100 0.470 0.000 0.773 411 G HN 0.835 nan 8.290 nan 0.000 0.573 412 Y N 1.863 122.277 120.300 0.189 0.000 2.097 412 Y HA -0.176 4.375 4.550 0.001 0.000 0.282 412 Y C 2.647 178.648 175.900 0.167 0.000 1.152 412 Y CA 2.312 60.502 58.100 0.150 0.000 1.136 412 Y CB -0.192 38.331 38.460 0.104 0.000 0.975 412 Y HN 0.219 nan 8.280 nan 0.000 0.498 413 D N -1.305 119.286 120.400 0.319 0.000 2.123 413 D HA -0.205 4.436 4.640 0.001 0.000 0.196 413 D C 1.997 178.396 176.300 0.165 0.000 0.992 413 D CA 1.886 56.017 54.000 0.218 0.000 0.833 413 D CB -0.598 40.330 40.800 0.213 0.000 0.954 413 D HN 0.483 nan 8.370 nan 0.000 0.455 414 H N 0.857 119.987 119.070 0.100 0.000 2.353 414 H HA 0.084 4.641 4.556 0.001 0.000 0.300 414 H C 1.942 177.311 175.328 0.068 0.000 1.090 414 H CA 1.405 57.505 56.048 0.086 0.000 1.327 414 H CB 0.197 29.992 29.762 0.055 0.000 1.383 414 H HN -0.027 nan 8.280 nan 0.000 0.508 415 R N -0.223 120.325 120.500 0.081 0.000 2.115 415 R HA -0.108 4.233 4.340 0.001 0.000 0.230 415 R C 2.175 178.372 176.300 -0.171 0.000 1.111 415 R CA 1.213 57.258 56.100 -0.093 0.000 0.976 415 R CB 0.055 30.369 30.300 0.023 0.000 0.870 415 R HN 0.459 nan 8.270 nan 0.000 0.445 416 Q N 0.073 119.784 119.800 -0.148 0.000 2.124 416 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 416 Q C 1.900 177.853 176.000 -0.077 0.000 0.977 416 Q CA 1.294 57.034 55.803 -0.105 0.000 0.850 416 Q CB -0.496 28.192 28.738 -0.082 0.000 0.901 416 Q HN 0.327 nan 8.270 nan 0.000 0.429 417 F N 1.531 121.353 119.950 -0.214 0.000 2.051 417 F HA -0.151 4.377 4.527 0.001 0.000 0.296 417 F C 2.014 177.595 175.800 -0.365 0.000 1.122 417 F CA 1.091 58.915 58.000 -0.294 0.000 1.201 417 F CB -0.581 38.180 39.000 -0.398 0.000 0.978 417 F HN -0.044 nan 8.300 nan 0.000 0.472 418 L N 0.590 121.240 121.223 -0.955 0.000 2.021 418 L HA -0.331 4.010 4.340 0.001 0.000 0.215 418 L C 2.254 178.847 176.870 -0.461 0.000 1.074 418 L CA 2.275 56.470 54.840 -1.075 0.000 0.760 418 L CB -1.167 40.021 42.059 -1.452 0.000 0.889 418 L HN 0.294 nan 8.230 nan 0.000 0.433 419 N N -0.654 117.926 118.700 -0.200 0.000 2.104 419 N HA -0.185 4.555 4.740 0.001 0.000 0.190 419 N C 1.959 177.488 175.510 0.031 0.000 1.024 419 N CA 1.099 54.228 53.050 0.131 0.000 0.853 419 N CB -0.039 38.544 38.487 0.161 0.000 1.008 419 N HN 0.245 nan 8.380 nan 0.000 0.424 420 R N -0.140 120.302 120.500 -0.097 0.000 2.081 420 R HA -0.117 4.224 4.340 0.001 0.000 0.235 420 R C 1.978 178.213 176.300 -0.108 0.000 1.131 420 R CA 1.146 57.211 56.100 -0.059 0.000 0.960 420 R CB -0.451 29.851 30.300 0.004 0.000 0.856 420 R HN 0.251 nan 8.270 nan 0.000 0.436 421 F N 0.553 120.184 119.950 -0.531 0.000 2.069 421 F HA -0.206 4.321 4.527 0.001 0.000 0.298 421 F C 1.585 177.075 175.800 -0.518 0.000 1.113 421 F CA 1.555 59.154 58.000 -0.668 0.000 1.214 421 F CB -0.205 37.980 39.000 -1.359 0.000 0.978 421 F HN -0.121 nan 8.300 nan 0.000 0.474 422 F N -0.200 119.752 119.950 0.004 0.000 2.699 422 F HA 0.018 4.546 4.527 0.001 0.000 0.298 422 F C 1.792 177.570 175.800 -0.036 0.000 1.154 422 F CA 0.815 58.830 58.000 0.025 0.000 1.457 422 F CB -0.560 38.554 39.000 0.189 0.000 1.106 422 F HN -0.013 nan 8.300 nan 0.000 0.585 423 V N -3.170 116.789 119.914 0.076 0.000 3.214 423 V HA 0.322 4.443 4.120 0.001 0.000 0.330 423 V C 0.663 176.749 176.094 -0.013 0.000 1.403 423 V CA -0.084 62.251 62.300 0.057 0.000 1.143 423 V CB -0.795 31.073 31.823 0.075 0.000 1.098 423 V HN 0.351 nan 8.190 nan 0.000 0.463 424 N N 2.012 120.646 118.700 -0.110 0.000 2.756 424 N HA -0.186 4.554 4.740 0.001 0.000 0.248 424 N C 0.357 175.819 175.510 -0.080 0.000 1.062 424 N CA 0.802 53.763 53.050 -0.147 0.000 0.696 424 N CB -0.649 37.785 38.487 -0.090 0.000 0.946 424 N HN 0.570 nan 8.380 nan 0.000 0.548 425 R N 0.003 120.474 120.500 -0.049 0.000 2.652 425 R HA 0.317 4.658 4.340 0.001 0.000 0.372 425 R C -0.541 175.802 176.300 0.072 0.000 1.104 425 R CA -0.161 55.939 56.100 -0.000 0.000 1.072 425 R CB -0.535 29.771 30.300 0.010 0.000 1.367 425 R HN 0.323 nan 8.270 nan 0.000 0.577 426 F N 0.667 120.538 119.950 -0.132 0.000 2.539 426 F HA 0.272 4.799 4.527 0.001 0.000 0.318 426 F C -0.365 175.390 175.800 -0.076 0.000 1.135 426 F CA -1.933 56.030 58.000 -0.062 0.000 0.915 426 F CB 1.468 40.460 39.000 -0.013 0.000 1.176 426 F HN -0.049 nan 8.300 nan 0.000 0.440 427 D N 3.981 123.982 120.400 -0.665 0.000 2.520 427 D HA 0.346 4.987 4.640 0.001 0.000 0.243 427 D C 1.134 177.278 176.300 -0.260 0.000 1.160 427 D CA 2.315 56.057 54.000 -0.430 0.000 0.877 427 D CB 0.559 41.100 40.800 -0.431 0.000 1.150 427 D HN 1.016 nan 8.370 nan 0.000 0.494 428 G N 2.635 111.374 108.800 -0.101 0.000 2.199 428 G HA2 -0.291 3.669 3.960 0.001 0.000 0.254 428 G HA3 -0.291 3.669 3.960 0.001 0.000 0.254 428 G C 0.519 175.417 174.900 -0.003 0.000 0.982 428 G CA 0.347 45.453 45.100 0.011 0.000 0.632 428 G HN 0.880 nan 8.290 nan 0.000 0.529 429 S N 0.449 116.042 115.700 -0.178 0.000 2.552 429 S HA 0.379 4.849 4.470 0.001 0.000 0.289 429 S C 1.405 175.729 174.600 -0.461 0.000 1.304 429 S CA 0.608 58.371 58.200 -0.728 0.000 1.063 429 S CB -0.031 62.505 63.200 -1.107 0.000 0.848 429 S HN 1.153 nan 8.310 nan 0.000 0.499 430 F N 2.842 122.649 119.950 -0.238 0.000 2.776 430 F HA 0.563 5.091 4.527 0.001 0.000 0.300 430 F C 0.796 176.573 175.800 -0.039 0.000 1.116 430 F CA -0.603 57.373 58.000 -0.040 0.000 1.375 430 F CB -0.966 38.097 39.000 0.106 0.000 1.109 430 F HN 0.548 nan 8.300 nan 0.000 0.585 431 A N 1.569 124.295 122.820 -0.156 0.000 2.354 431 A HA 0.637 4.958 4.320 0.001 0.000 0.269 431 A C 0.638 178.237 177.584 0.026 0.000 1.109 431 A CA -0.649 51.440 52.037 0.086 0.000 0.800 431 A CB 0.396 19.443 19.000 0.078 0.000 1.045 431 A HN 0.318 nan 8.150 nan 0.000 0.489 432 R N 2.128 122.701 120.500 0.121 0.000 2.834 432 R HA 0.222 4.563 4.340 0.001 0.000 0.362 432 R C 0.502 176.861 176.300 0.098 0.000 1.147 432 R CA 0.125 56.277 56.100 0.087 0.000 1.125 432 R CB 0.504 30.862 30.300 0.097 0.000 1.361 432 R HN 0.818 nan 8.270 nan 0.000 0.598 433 G N -0.102 108.759 108.800 0.103 0.000 2.588 433 G HA2 0.432 4.393 3.960 0.001 0.000 0.281 433 G HA3 0.432 4.393 3.960 0.001 0.000 0.281 433 G C -0.474 174.482 174.900 0.093 0.000 1.236 433 G CA -0.207 44.942 45.100 0.081 0.000 0.969 433 G HN 0.016 nan 8.290 nan 0.000 0.504 434 V N 0.894 120.859 119.914 0.085 0.000 2.680 434 V HA 0.387 4.508 4.120 0.001 0.000 0.309 434 V C -2.220 173.949 176.094 0.126 0.000 1.052 434 V CA -1.519 60.854 62.300 0.122 0.000 0.908 434 V CB 2.317 34.231 31.823 0.151 0.000 1.001 434 V HN 0.549 nan 8.190 nan 0.000 0.431 435 P HA 0.270 nan 4.420 nan 0.000 0.271 435 P C -1.231 176.225 177.300 0.260 0.000 1.218 435 P CA 0.026 63.234 63.100 0.180 0.000 0.780 435 P CB 0.288 32.076 31.700 0.147 0.000 0.901 436 F N 2.443 122.430 119.950 0.062 0.000 2.585 436 F HA 0.241 4.768 4.527 0.001 0.000 0.319 436 F C -0.452 175.397 175.800 0.082 0.000 1.165 436 F CA -0.355 57.670 58.000 0.042 0.000 0.949 436 F CB 1.173 40.161 39.000 -0.021 0.000 1.218 436 F HN 0.235 nan 8.300 nan 0.000 0.453 437 Q N 4.173 123.668 119.800 -0.509 0.000 2.460 437 Q HA -0.302 4.039 4.340 0.001 0.000 0.311 437 Q C -1.140 174.798 176.000 -0.104 0.000 1.396 437 Q CA 0.690 56.264 55.803 -0.381 0.000 0.838 437 Q CB -2.193 26.232 28.738 -0.523 0.000 1.140 437 Q HN 0.733 nan 8.270 nan 0.000 0.415 438 Y N 1.492 121.748 120.300 -0.074 0.000 2.605 438 Y HA 0.208 4.759 4.550 0.001 0.000 0.336 438 Y C 0.255 176.145 175.900 -0.017 0.000 1.111 438 Y CA -0.549 57.542 58.100 -0.013 0.000 1.422 438 Y CB 0.436 38.908 38.460 0.020 0.000 1.193 438 Y HN 0.141 nan 8.280 nan 0.000 0.526 439 N N 9.411 127.707 118.700 -0.674 0.000 2.462 439 N HA 0.205 4.945 4.740 0.001 0.000 0.242 439 N C -1.935 173.099 175.510 -0.793 0.000 1.010 439 N CA -2.242 50.474 53.050 -0.556 0.000 0.939 439 N CB 1.390 39.711 38.487 -0.276 0.000 1.127 439 N HN 0.450 nan 8.380 nan 0.000 0.509 440 P HA -0.131 nan 4.420 nan 0.000 0.219 440 P C 0.949 178.166 177.300 -0.139 0.000 1.146 440 P CA 1.048 63.940 63.100 -0.348 0.000 0.808 440 P CB 0.312 31.970 31.700 -0.069 0.000 0.779 441 S N -1.047 114.573 115.700 -0.134 0.000 2.496 441 S HA -0.015 4.455 4.470 0.001 0.000 0.224 441 S C 1.653 176.231 174.600 -0.037 0.000 0.996 441 S CA 1.313 59.477 58.200 -0.061 0.000 0.927 441 S CB -1.295 61.872 63.200 -0.056 0.000 0.774 441 S HN 0.340 nan 8.310 nan 0.000 0.524 442 T N -4.682 109.839 114.554 -0.055 0.000 2.986 442 T HA 0.544 4.895 4.350 0.001 0.000 0.264 442 T C 1.593 176.372 174.700 0.133 0.000 0.964 442 T CA 0.714 62.829 62.100 0.025 0.000 0.895 442 T CB 0.109 68.980 68.868 0.005 0.000 1.163 442 T HN 1.126 nan 8.240 nan 0.000 0.517 443 G N 1.591 110.428 108.800 0.061 0.000 2.205 443 G HA2 -0.263 3.698 3.960 0.001 0.000 0.261 443 G HA3 -0.263 3.698 3.960 0.001 0.000 0.261 443 G C -0.141 174.826 174.900 0.113 0.000 0.980 443 G CA 0.259 45.479 45.100 0.200 0.000 0.632 443 G HN 0.856 nan 8.290 nan 0.000 0.533 444 D N -0.443 119.978 120.400 0.035 0.000 2.362 444 D HA 0.545 5.186 4.640 0.001 0.000 0.242 444 D C 0.268 176.614 176.300 0.076 0.000 1.132 444 D CA 0.730 54.755 54.000 0.042 0.000 0.907 444 D CB 0.948 41.756 40.800 0.012 0.000 1.195 444 D HN 0.637 nan 8.370 nan 0.000 0.429 445 C N 2.606 121.991 119.300 0.141 0.000 3.241 445 C HA 0.653 5.114 4.460 0.001 0.000 0.348 445 C C -1.225 173.861 174.990 0.160 0.000 1.180 445 C CA -0.615 58.516 59.018 0.188 0.000 1.273 445 C CB 0.749 28.677 27.740 0.314 0.000 1.620 445 C HN 0.828 nan 8.230 nan 0.000 0.510 446 R N 1.766 122.346 120.500 0.133 0.000 2.923 446 R HA 0.898 5.238 4.340 0.001 0.000 0.252 446 R C -1.287 175.073 176.300 0.100 0.000 1.130 446 R CA -0.531 55.604 56.100 0.059 0.000 1.043 446 R CB 1.699 32.072 30.300 0.123 0.000 1.205 446 R HN 0.517 nan 8.270 nan 0.000 0.495 447 V N 0.651 120.522 119.914 -0.071 0.000 2.604 447 V HA 0.490 4.610 4.120 0.001 0.000 0.305 447 V C -0.558 175.434 176.094 -0.170 0.000 1.043 447 V CA -0.646 61.617 62.300 -0.062 0.000 0.888 447 V CB 1.986 33.760 31.823 -0.082 0.000 0.995 447 V HN 0.738 nan 8.190 nan 0.000 0.429 448 S N 1.890 117.541 115.700 -0.080 0.000 2.621 448 S HA 0.974 5.445 4.470 0.001 0.000 0.302 448 S C 0.141 174.724 174.600 -0.028 0.000 1.093 448 S CA -0.059 58.112 58.200 -0.048 0.000 1.017 448 S CB 1.828 64.940 63.200 -0.147 0.000 1.077 448 S HN 1.541 nan 8.310 nan 0.000 0.517 449 G N 1.140 109.995 108.800 0.091 0.000 2.326 449 G HA2 0.273 4.233 3.960 0.001 0.000 0.478 449 G HA3 0.273 4.233 3.960 0.001 0.000 0.478 449 G C -0.496 174.345 174.900 -0.098 0.000 1.551 449 G CA -0.505 44.592 45.100 -0.005 0.000 0.946 449 G HN 0.886 nan 8.290 nan 0.000 0.671 450 T N -0.370 114.203 114.554 0.031 0.000 2.828 450 T HA 0.624 4.975 4.350 0.001 0.000 0.290 450 T C 1.964 176.693 174.700 0.049 0.000 1.019 450 T CA 0.807 62.941 62.100 0.057 0.000 1.031 450 T CB 1.542 70.522 68.868 0.186 0.000 1.001 450 T HN 2.121 nan 8.240 nan 0.000 0.531 451 A N 1.687 124.602 122.820 0.158 0.000 1.892 451 A HA 0.039 4.360 4.320 0.001 0.000 0.218 451 A C 2.672 180.473 177.584 0.361 0.000 1.188 451 A CA 2.209 54.466 52.037 0.367 0.000 0.631 451 A CB -1.604 17.677 19.000 0.467 0.000 0.822 451 A HN 1.307 nan 8.150 nan 0.000 0.447 452 A N -0.511 122.466 122.820 0.263 0.000 1.930 452 A HA 0.211 4.531 4.320 0.001 0.000 0.217 452 A C 2.471 180.171 177.584 0.193 0.000 1.175 452 A CA 1.959 54.122 52.037 0.211 0.000 0.627 452 A CB -0.904 18.196 19.000 0.166 0.000 0.815 452 A HN 1.101 nan 8.150 nan 0.000 0.443 453 A N -0.313 122.610 122.820 0.170 0.000 1.969 453 A HA 0.047 4.368 4.320 0.001 0.000 0.218 453 A C 2.025 179.724 177.584 0.191 0.000 1.169 453 A CA 1.355 53.483 52.037 0.152 0.000 0.635 453 A CB -0.480 18.591 19.000 0.119 0.000 0.810 453 A HN 0.472 nan 8.150 nan 0.000 0.445 454 L N -0.095 121.248 121.223 0.198 0.000 2.418 454 L HA -0.028 4.313 4.340 0.001 0.000 0.218 454 L C 2.018 179.287 176.870 0.665 0.000 1.125 454 L CA 0.777 55.808 54.840 0.318 0.000 0.835 454 L CB -0.096 41.882 42.059 -0.136 0.000 0.953 454 L HN 0.399 nan 8.230 nan 0.000 0.454 455 V N -3.949 116.274 119.914 0.516 0.000 3.647 455 V HA 0.477 4.597 4.120 0.001 0.000 0.279 455 V C 1.249 177.443 176.094 0.165 0.000 1.314 455 V CA 0.450 62.957 62.300 0.344 0.000 1.125 455 V CB -0.115 31.797 31.823 0.147 0.000 0.907 455 V HN 0.431 nan 8.190 nan 0.000 0.434 456 G N 0.662 109.622 108.800 0.266 0.000 2.134 456 G HA2 -0.231 3.729 3.960 0.001 0.000 0.209 456 G HA3 -0.231 3.729 3.960 0.001 0.000 0.209 456 G C 0.295 175.264 174.900 0.115 0.000 0.993 456 G CA 0.303 45.522 45.100 0.198 0.000 0.669 456 G HN 0.544 nan 8.290 nan 0.000 0.519 457 L N 0.747 122.034 121.223 0.107 0.000 2.217 457 L HA 0.505 4.846 4.340 0.001 0.000 0.211 457 L C 2.828 179.743 176.870 0.074 0.000 1.107 457 L CA 2.789 57.675 54.840 0.076 0.000 0.783 457 L CB -0.486 41.620 42.059 0.079 0.000 0.919 457 L HN 0.634 nan 8.230 nan 0.000 0.442 458 A N -0.604 122.271 122.820 0.091 0.000 2.019 458 A HA -0.180 4.140 4.320 0.001 0.000 0.219 458 A C 1.930 179.553 177.584 0.065 0.000 1.164 458 A CA 1.585 53.670 52.037 0.079 0.000 0.644 458 A CB -0.438 18.617 19.000 0.091 0.000 0.805 458 A HN 0.678 nan 8.150 nan 0.000 0.449 459 Q N -1.186 118.655 119.800 0.068 0.000 2.198 459 Q HA 0.088 4.429 4.340 0.001 0.000 0.209 459 Q C -1.022 175.005 176.000 0.045 0.000 0.848 459 Q CA 0.479 56.315 55.803 0.056 0.000 0.974 459 Q CB -0.172 28.603 28.738 0.063 0.000 1.115 459 Q HN 0.520 nan 8.270 nan 0.000 0.494 460 D N 2.116 122.541 120.400 0.041 0.000 2.699 460 D HA -0.148 4.492 4.640 0.001 0.000 0.239 460 D C -0.715 175.594 176.300 0.015 0.000 1.136 460 D CA 1.109 55.124 54.000 0.024 0.000 0.668 460 D CB -0.994 39.815 40.800 0.016 0.000 1.060 460 D HN 0.514 nan 8.370 nan 0.000 0.429 461 D N 1.050 121.466 120.400 0.027 0.000 2.434 461 D HA 0.006 4.646 4.640 0.001 0.000 0.252 461 D C -0.771 175.509 176.300 -0.033 0.000 1.185 461 D CA -1.160 52.851 54.000 0.018 0.000 0.886 461 D CB 1.161 41.991 40.800 0.050 0.000 1.148 461 D HN 0.089 nan 8.370 nan 0.000 0.483 462 P HA -0.149 nan 4.420 nan 0.000 0.226 462 P C 0.459 177.651 177.300 -0.181 0.000 1.146 462 P CA 1.249 64.255 63.100 -0.155 0.000 0.773 462 P CB 0.052 31.618 31.700 -0.223 0.000 0.772 463 H N -1.310 117.728 119.070 -0.053 0.000 2.575 463 H HA 0.325 4.882 4.556 0.001 0.000 0.267 463 H C 2.146 177.313 175.328 -0.269 0.000 0.966 463 H CA 0.316 56.290 56.048 -0.123 0.000 1.165 463 H CB 0.187 29.896 29.762 -0.088 0.000 1.433 463 H HN 0.060 nan 8.280 nan 0.000 0.544 464 A N 0.627 123.395 122.820 -0.086 0.000 1.873 464 A HA -0.193 4.128 4.320 0.001 0.000 0.218 464 A C 2.385 179.917 177.584 -0.087 0.000 1.193 464 A CA 1.908 53.883 52.037 -0.103 0.000 0.629 464 A CB -0.957 18.030 19.000 -0.022 0.000 0.826 464 A HN 0.235 nan 8.150 nan 0.000 0.447 465 V N 0.736 120.621 119.914 -0.048 0.000 2.287 465 V HA -0.261 3.860 4.120 0.001 0.000 0.248 465 V C 2.143 178.204 176.094 -0.056 0.000 1.053 465 V CA 2.370 64.652 62.300 -0.030 0.000 1.027 465 V CB -0.821 30.994 31.823 -0.013 0.000 0.646 465 V HN 0.544 nan 8.190 nan 0.000 0.447 466 D N -0.479 119.877 120.400 -0.073 0.000 2.178 466 D HA -0.119 4.522 4.640 0.001 0.000 0.202 466 D C 2.372 178.553 176.300 -0.199 0.000 0.974 466 D CA 0.906 54.857 54.000 -0.081 0.000 0.841 466 D CB -0.207 40.605 40.800 0.019 0.000 0.953 466 D HN 0.413 nan 8.370 nan 0.000 0.478 467 R N 0.276 120.554 120.500 -0.370 0.000 2.081 467 R HA -0.021 4.320 4.340 0.001 0.000 0.235 467 R C 2.561 178.714 176.300 -0.244 0.000 1.131 467 R CA 0.650 56.459 56.100 -0.485 0.000 0.960 467 R CB -0.222 29.720 30.300 -0.596 0.000 0.856 467 R HN 0.208 nan 8.270 nan 0.000 0.436 468 I N 1.018 121.523 120.570 -0.109 0.000 2.163 468 I HA -0.336 3.834 4.170 0.001 0.000 0.243 468 I C 2.665 178.826 176.117 0.072 0.000 1.085 468 I CA 1.398 62.718 61.300 0.033 0.000 1.347 468 I CB -0.304 37.763 38.000 0.112 0.000 1.044 468 I HN 0.176 nan 8.210 nan 0.000 0.408 469 K N 1.018 121.424 120.400 0.010 0.000 2.063 469 K HA -0.251 4.069 4.320 0.001 0.000 0.208 469 K C 2.248 178.836 176.600 -0.021 0.000 1.048 469 K CA 1.645 57.934 56.287 0.004 0.000 0.928 469 K CB -0.186 32.285 32.500 -0.048 0.000 0.713 469 K HN 0.139 nan 8.250 nan 0.000 0.442 470 L N 1.578 122.742 121.223 -0.099 0.000 2.017 470 L HA -0.151 4.190 4.340 0.001 0.000 0.208 470 L C 1.998 178.801 176.870 -0.112 0.000 1.073 470 L CA 1.543 56.294 54.840 -0.148 0.000 0.745 470 L CB -0.433 41.452 42.059 -0.289 0.000 0.894 470 L HN 0.235 nan 8.230 nan 0.000 0.432 471 L N -1.706 119.420 121.223 -0.162 0.000 2.017 471 L HA -0.260 4.081 4.340 0.001 0.000 0.208 471 L C 2.564 179.349 176.870 -0.142 0.000 1.073 471 L CA 1.620 56.331 54.840 -0.214 0.000 0.745 471 L CB -0.836 40.949 42.059 -0.457 0.000 0.894 471 L HN 0.276 nan 8.230 nan 0.000 0.432 472 Y N 0.377 120.658 120.300 -0.032 0.000 2.352 472 Y HA -0.229 4.321 4.550 0.001 0.000 0.292 472 Y C 3.077 179.033 175.900 0.093 0.000 1.136 472 Y CA 1.384 59.502 58.100 0.031 0.000 1.227 472 Y CB -0.436 38.042 38.460 0.030 0.000 0.991 472 Y HN 0.309 nan 8.280 nan 0.000 0.545 473 S N -0.223 115.616 115.700 0.232 0.000 2.368 473 S HA -0.204 4.267 4.470 0.001 0.000 0.225 473 S C 1.963 176.842 174.600 0.464 0.000 1.030 473 S CA 1.529 59.934 58.200 0.341 0.000 0.999 473 S CB -0.883 62.416 63.200 0.165 0.000 0.844 473 S HN 0.477 nan 8.310 nan 0.000 0.459 474 I N 1.979 122.734 120.570 0.308 0.000 2.315 474 I HA -0.055 4.116 4.170 0.001 0.000 0.248 474 I C 3.000 179.208 176.117 0.153 0.000 1.117 474 I CA 1.046 62.520 61.300 0.291 0.000 1.404 474 I CB -0.509 37.635 38.000 0.240 0.000 1.071 474 I HN 0.460 nan 8.210 nan 0.000 0.419 475 A N 0.499 123.381 122.820 0.104 0.000 2.014 475 A HA -0.047 4.273 4.320 0.001 0.000 0.218 475 A C 2.213 179.873 177.584 0.126 0.000 1.163 475 A CA 1.029 53.109 52.037 0.071 0.000 0.652 475 A CB -0.537 18.482 19.000 0.032 0.000 0.808 475 A HN 0.383 nan 8.150 nan 0.000 0.449 476 L N -0.071 121.269 121.223 0.195 0.000 2.313 476 L HA -0.051 4.290 4.340 0.001 0.000 0.214 476 L C 2.292 179.215 176.870 0.088 0.000 1.119 476 L CA 1.369 56.308 54.840 0.165 0.000 0.809 476 L CB -0.013 42.197 42.059 0.251 0.000 0.933 476 L HN 0.559 nan 8.230 nan 0.000 0.449 477 S N -3.332 112.451 115.700 0.138 0.000 2.603 477 S HA -0.009 4.461 4.470 0.001 0.000 0.232 477 S C 1.633 176.290 174.600 0.095 0.000 1.016 477 S CA 0.247 58.505 58.200 0.096 0.000 0.976 477 S CB -0.110 63.038 63.200 -0.087 0.000 0.921 477 S HN 0.356 nan 8.310 nan 0.000 0.516 478 T N -0.723 113.813 114.554 -0.030 0.000 2.995 478 T HA 0.434 4.785 4.350 0.001 0.000 0.269 478 T C 1.236 175.883 174.700 -0.089 0.000 1.091 478 T CA 0.573 62.483 62.100 -0.316 0.000 1.128 478 T CB -0.687 67.897 68.868 -0.473 0.000 0.891 478 T HN 1.478 nan 8.240 nan 0.000 0.492 479 G N -0.540 108.321 108.800 0.102 0.000 3.438 479 G HA2 0.501 4.461 3.960 0.001 0.000 0.684 479 G HA3 0.501 4.461 3.960 0.001 0.000 0.684 479 G C -0.104 174.936 174.900 0.233 0.000 1.192 479 G CA -0.660 44.556 45.100 0.192 0.000 1.013 479 G HN 1.563 nan 8.290 nan 0.000 0.530 480 G N -0.236 108.636 108.800 0.120 0.000 2.361 480 G HA2 0.462 4.423 3.960 0.001 0.000 0.331 480 G HA3 0.462 4.423 3.960 0.001 0.000 0.331 480 G C -0.891 174.022 174.900 0.022 0.000 1.324 480 G CA -0.314 44.842 45.100 0.092 0.000 0.984 480 G HN 1.695 nan 8.290 nan 0.000 0.586 481 L N 2.575 123.777 121.223 -0.035 0.000 2.260 481 L HA 0.511 4.852 4.340 0.001 0.000 0.289 481 L C -1.693 175.111 176.870 -0.111 0.000 1.057 481 L CA -1.999 52.767 54.840 -0.124 0.000 0.811 481 L CB 1.512 43.427 42.059 -0.241 0.000 1.184 481 L HN 0.389 nan 8.230 nan 0.000 0.429 482 P HA 0.132 nan 4.420 nan 0.000 0.281 482 P C -1.200 176.073 177.300 -0.045 0.000 1.252 482 P CA -0.508 62.594 63.100 0.003 0.000 0.778 482 P CB 1.825 33.561 31.700 0.060 0.000 0.895 483 L N 5.152 126.404 121.223 0.049 0.000 2.325 483 L HA 0.465 4.806 4.340 0.001 0.000 0.281 483 L C -0.499 176.537 176.870 0.276 0.000 1.004 483 L CA -0.781 54.094 54.840 0.059 0.000 0.823 483 L CB 0.865 42.933 42.059 0.015 0.000 1.236 483 L HN 0.261 nan 8.230 nan 0.000 0.415 484 I N 4.872 125.585 120.570 0.238 0.000 2.353 484 I HA 0.159 4.329 4.170 0.001 0.000 0.293 484 I C -0.932 175.387 176.117 0.337 0.000 0.992 484 I CA -0.711 60.789 61.300 0.333 0.000 1.268 484 I CB 1.008 39.066 38.000 0.098 0.000 1.387 484 I HN 0.543 nan 8.210 nan 0.000 0.478 485 Y N 7.478 127.986 120.300 0.346 0.000 2.585 485 Y HA 0.287 4.838 4.550 0.001 0.000 0.354 485 Y C 0.068 176.121 175.900 0.254 0.000 1.024 485 Y CA -0.367 57.901 58.100 0.278 0.000 1.321 485 Y CB 0.138 38.788 38.460 0.316 0.000 1.151 485 Y HN 0.375 nan 8.280 nan 0.000 0.525 486 L N 6.318 127.500 121.223 -0.069 0.000 2.578 486 L HA 0.064 4.405 4.340 0.001 0.000 0.279 486 L C 1.305 178.310 176.870 0.224 0.000 1.227 486 L CA 1.447 56.320 54.840 0.056 0.000 0.900 486 L CB -0.013 41.889 42.059 -0.263 0.000 1.144 486 L HN 1.045 nan 8.230 nan 0.000 0.496 487 G N 1.642 110.728 108.800 0.477 0.000 2.391 487 G HA2 -0.236 3.725 3.960 0.001 0.000 0.204 487 G HA3 -0.236 3.725 3.960 0.001 0.000 0.204 487 G C 0.689 175.764 174.900 0.292 0.000 1.012 487 G CA 0.113 45.482 45.100 0.449 0.000 0.651 487 G HN 0.607 nan 8.290 nan 0.000 0.494 488 D N 1.474 122.072 120.400 0.330 0.000 2.178 488 D HA -0.000 4.641 4.640 0.001 0.000 0.202 488 D C 2.430 178.819 176.300 0.149 0.000 0.974 488 D CA 1.293 55.471 54.000 0.297 0.000 0.841 488 D CB -0.145 40.916 40.800 0.437 0.000 0.953 488 D HN 0.713 nan 8.370 nan 0.000 0.478 489 E N 1.005 121.276 120.200 0.119 0.000 2.463 489 E HA -0.112 4.239 4.350 0.001 0.000 0.201 489 E C 1.235 177.897 176.600 0.103 0.000 1.045 489 E CA 0.720 57.173 56.400 0.089 0.000 0.872 489 E CB -0.076 29.753 29.700 0.214 0.000 0.797 489 E HN 0.301 nan 8.360 nan 0.000 0.538 490 V N -4.152 115.752 119.914 -0.016 0.000 3.199 490 V HA 0.521 4.642 4.120 0.001 0.000 0.331 490 V C 0.904 176.956 176.094 -0.070 0.000 1.446 490 V CA -0.125 62.095 62.300 -0.132 0.000 1.120 490 V CB 0.021 31.535 31.823 -0.514 0.000 1.051 490 V HN 0.155 nan 8.190 nan 0.000 0.495 491 G N 1.120 109.935 108.800 0.025 0.000 2.314 491 G HA2 -0.238 3.723 3.960 0.001 0.000 0.292 491 G HA3 -0.238 3.723 3.960 0.001 0.000 0.292 491 G C 0.096 175.039 174.900 0.071 0.000 1.059 491 G CA 0.508 45.649 45.100 0.068 0.000 0.982 491 G HN 0.688 nan 8.290 nan 0.000 0.505 492 T N 0.820 115.432 114.554 0.097 0.000 2.853 492 T HA 0.420 4.771 4.350 0.001 0.000 0.298 492 T C 1.406 176.199 174.700 0.155 0.000 0.978 492 T CA 0.134 62.304 62.100 0.116 0.000 1.152 492 T CB 0.867 69.838 68.868 0.172 0.000 0.914 492 T HN 0.401 nan 8.240 nan 0.000 0.539 493 L N 2.799 124.099 121.223 0.129 0.000 2.567 493 L HA 0.404 4.745 4.340 0.001 0.000 0.238 493 L C 1.030 177.995 176.870 0.158 0.000 1.168 493 L CA -1.330 53.592 54.840 0.136 0.000 0.817 493 L CB 0.273 42.397 42.059 0.109 0.000 1.409 493 L HN 0.494 nan 8.230 nan 0.000 0.502 494 N N 0.587 119.380 118.700 0.154 0.000 2.453 494 N HA -0.023 4.718 4.740 0.001 0.000 0.253 494 N C -0.546 175.079 175.510 0.190 0.000 1.252 494 N CA -0.066 53.086 53.050 0.170 0.000 0.917 494 N CB 0.173 38.762 38.487 0.170 0.000 1.117 494 N HN 0.477 nan 8.380 nan 0.000 0.442 495 D N 0.364 120.897 120.400 0.222 0.000 2.351 495 D HA -0.005 4.636 4.640 0.001 0.000 0.251 495 D C -0.697 175.801 176.300 0.329 0.000 1.137 495 D CA -0.138 54.014 54.000 0.254 0.000 0.879 495 D CB 0.513 41.480 40.800 0.279 0.000 1.181 495 D HN 0.449 nan 8.370 nan 0.000 0.448 496 D N 1.831 122.354 120.400 0.205 0.000 3.058 496 D HA 0.228 4.869 4.640 0.001 0.000 0.272 496 D C -0.421 175.907 176.300 0.046 0.000 1.350 496 D CA -0.427 53.657 54.000 0.139 0.000 0.863 496 D CB 0.607 41.462 40.800 0.091 0.000 1.064 496 D HN 0.287 nan 8.370 nan 0.000 0.488 497 D N -1.310 119.118 120.400 0.046 0.000 2.249 497 D HA -0.018 4.623 4.640 0.001 0.000 0.371 497 D C 1.351 177.581 176.300 -0.117 0.000 1.055 497 D CA -0.475 53.492 54.000 -0.056 0.000 0.897 497 D CB -0.028 40.763 40.800 -0.014 0.000 1.466 497 D HN 0.285 nan 8.370 nan 0.000 0.516 498 W N 2.272 123.567 121.300 -0.008 0.000 2.308 498 W HA -0.218 4.442 4.660 0.001 0.000 0.301 498 W C 1.550 178.063 176.519 -0.010 0.000 1.220 498 W CA 1.657 58.989 57.345 -0.021 0.000 1.240 498 W CB -1.365 28.139 29.460 0.074 0.000 1.142 498 W HN 0.074 nan 8.180 nan 0.000 0.521 499 S N 0.643 115.460 115.700 -1.473 0.000 2.447 499 S HA -0.184 4.286 4.470 0.001 0.000 0.233 499 S C 1.732 176.006 174.600 -0.544 0.000 1.006 499 S CA 1.281 58.672 58.200 -1.349 0.000 0.957 499 S CB -0.654 61.743 63.200 -1.338 0.000 0.773 499 S HN 0.538 nan 8.310 nan 0.000 0.507 500 Q N 0.581 120.155 119.800 -0.377 0.000 2.398 500 Q HA 0.159 4.500 4.340 0.001 0.000 0.204 500 Q C -0.193 175.717 176.000 -0.150 0.000 0.932 500 Q CA 0.226 55.901 55.803 -0.213 0.000 0.916 500 Q CB 0.021 28.660 28.738 -0.164 0.000 1.024 500 Q HN 0.473 nan 8.270 nan 0.000 0.504 501 D N 0.609 120.921 120.400 -0.145 0.000 2.336 501 D HA 0.003 4.644 4.640 0.001 0.000 0.249 501 D C 0.911 177.160 176.300 -0.084 0.000 1.213 501 D CA -0.026 53.906 54.000 -0.113 0.000 0.870 501 D CB 1.165 41.884 40.800 -0.136 0.000 1.076 501 D HN 0.083 nan 8.370 nan 0.000 0.483 502 S N 2.907 118.566 115.700 -0.069 0.000 2.462 502 S HA -0.209 4.261 4.470 0.001 0.000 0.243 502 S C 1.238 175.826 174.600 -0.020 0.000 1.003 502 S CA 0.981 59.159 58.200 -0.037 0.000 0.970 502 S CB -0.321 62.859 63.200 -0.033 0.000 0.762 502 S HN 0.587 nan 8.310 nan 0.000 0.510 503 N N 0.632 119.296 118.700 -0.060 0.000 2.422 503 N HA 0.163 4.904 4.740 0.001 0.000 0.181 503 N C 1.396 176.875 175.510 -0.051 0.000 1.080 503 N CA 0.433 53.446 53.050 -0.062 0.000 0.893 503 N CB 0.152 38.562 38.487 -0.130 0.000 0.973 503 N HN 0.479 nan 8.380 nan 0.000 0.456 504 K N -0.643 119.726 120.400 -0.051 0.000 2.502 504 K HA 0.108 4.429 4.320 0.001 0.000 0.211 504 K C 1.636 178.473 176.600 0.394 0.000 1.259 504 K CA 0.166 56.487 56.287 0.057 0.000 0.983 504 K CB 0.586 32.913 32.500 -0.287 0.000 1.054 504 K HN 0.016 nan 8.250 nan 0.000 0.572 505 S N 2.284 118.118 115.700 0.223 0.000 2.440 505 S HA -0.189 4.281 4.470 0.001 0.000 0.240 505 S C 1.372 176.187 174.600 0.358 0.000 1.014 505 S CA 1.836 60.150 58.200 0.189 0.000 0.980 505 S CB -0.438 62.757 63.200 -0.010 0.000 0.775 505 S HN 0.364 nan 8.310 nan 0.000 0.499 506 D N 0.029 120.620 120.400 0.319 0.000 2.342 506 D HA 0.162 4.803 4.640 0.001 0.000 0.221 506 D C -0.305 176.185 176.300 0.317 0.000 1.101 506 D CA -0.198 53.970 54.000 0.280 0.000 0.837 506 D CB -0.181 40.729 40.800 0.182 0.000 0.938 506 D HN 0.335 nan 8.370 nan 0.000 0.508 507 D N 0.722 121.381 120.400 0.432 0.000 2.358 507 D HA 0.037 4.677 4.640 0.001 0.000 0.253 507 D C 0.822 177.174 176.300 0.086 0.000 1.288 507 D CA -0.289 53.918 54.000 0.345 0.000 0.950 507 D CB 1.506 42.509 40.800 0.338 0.000 1.197 507 D HN -0.056 nan 8.370 nan 0.000 0.550 508 S N 2.934 118.595 115.700 -0.064 0.000 2.595 508 S HA -0.064 4.406 4.470 0.001 0.000 0.235 508 S C 1.561 175.571 174.600 -0.983 0.000 0.974 508 S CA 0.224 57.923 58.200 -0.835 0.000 0.942 508 S CB -0.033 63.037 63.200 -0.217 0.000 0.766 508 S HN 0.423 nan 8.310 nan 0.000 0.536 509 R N -0.278 119.671 120.500 -0.918 0.000 2.189 509 R HA 0.015 4.356 4.340 0.001 0.000 0.223 509 R C 1.351 176.867 176.300 -1.307 0.000 1.092 509 R CA 1.439 56.798 56.100 -1.235 0.000 0.989 509 R CB -0.313 29.329 30.300 -1.096 0.000 0.876 509 R HN 0.584 nan 8.270 nan 0.000 0.457 510 W N 0.482 121.291 121.300 -0.818 0.000 2.525 510 W HA -0.038 4.623 4.660 0.001 0.000 0.259 510 W C 2.238 178.379 176.519 -0.630 0.000 1.253 510 W CA 0.595 57.610 57.345 -0.549 0.000 1.262 510 W CB -0.005 29.334 29.460 -0.201 0.000 1.122 510 W HN 0.152 nan 8.180 nan 0.000 0.607 511 A N 0.060 122.315 122.820 -0.942 0.000 2.015 511 A HA -0.192 4.129 4.320 0.001 0.000 0.219 511 A C 1.504 178.975 177.584 -0.188 0.000 1.163 511 A CA 1.581 53.244 52.037 -0.624 0.000 0.646 511 A CB -1.118 17.480 19.000 -0.670 0.000 0.806 511 A HN 0.610 nan 8.150 nan 0.000 0.448 512 H N -2.417 116.554 119.070 -0.166 0.000 2.488 512 H HA 0.441 4.998 4.556 0.001 0.000 0.294 512 H C -0.141 175.260 175.328 0.123 0.000 1.088 512 H CA -0.362 55.663 56.048 -0.039 0.000 1.086 512 H CB -0.077 29.584 29.762 -0.169 0.000 1.569 512 H HN 0.339 nan 8.280 nan 0.000 0.548 513 R N 2.246 122.820 120.500 0.124 0.000 3.026 513 R HA 0.247 4.587 4.340 0.001 0.000 0.317 513 R C -2.685 173.764 176.300 0.248 0.000 1.278 513 R CA -1.460 54.782 56.100 0.237 0.000 1.407 513 R CB 1.009 31.312 30.300 0.005 0.000 1.368 513 R HN 0.362 nan 8.270 nan 0.000 0.612 514 P HA 0.125 nan 4.420 nan 0.000 0.274 514 P C -0.411 177.029 177.300 0.234 0.000 1.246 514 P CA -0.351 62.889 63.100 0.233 0.000 0.795 514 P CB 1.105 32.940 31.700 0.226 0.000 1.006 515 R N -0.312 120.300 120.500 0.186 0.000 2.583 515 R HA 0.192 4.533 4.340 0.001 0.000 0.268 515 R C 0.091 176.507 176.300 0.193 0.000 1.101 515 R CA -0.591 55.618 56.100 0.183 0.000 1.180 515 R CB -0.038 30.337 30.300 0.124 0.000 1.128 515 R HN 0.471 nan 8.270 nan 0.000 0.568 516 Y N 1.290 121.591 120.300 0.002 0.000 2.802 516 Y HA -0.156 4.395 4.550 0.001 0.000 0.333 516 Y C 0.085 175.972 175.900 -0.021 0.000 1.244 516 Y CA 0.628 58.638 58.100 -0.149 0.000 1.558 516 Y CB 0.046 38.208 38.460 -0.498 0.000 1.233 516 Y HN 0.495 nan 8.280 nan 0.000 0.547 517 N N 5.586 124.164 118.700 -0.203 0.000 2.558 517 N HA 0.032 4.773 4.740 0.001 0.000 0.233 517 N C 0.635 176.050 175.510 -0.159 0.000 1.038 517 N CA -0.417 52.575 53.050 -0.096 0.000 0.934 517 N CB 0.459 38.921 38.487 -0.043 0.000 1.175 517 N HN 0.703 nan 8.380 nan 0.000 0.512 518 E N 2.053 122.232 120.200 -0.035 0.000 2.114 518 E HA -0.265 4.086 4.350 0.001 0.000 0.199 518 E C 1.684 178.286 176.600 0.003 0.000 1.008 518 E CA 1.293 57.721 56.400 0.047 0.000 0.810 518 E CB -0.289 29.465 29.700 0.090 0.000 0.739 518 E HN 0.760 nan 8.360 nan 0.000 0.456 519 A N 1.187 123.997 122.820 -0.016 0.000 1.877 519 A HA -0.138 4.183 4.320 0.001 0.000 0.216 519 A C 2.422 179.970 177.584 -0.060 0.000 1.186 519 A CA 1.175 53.196 52.037 -0.027 0.000 0.620 519 A CB -0.699 18.290 19.000 -0.020 0.000 0.822 519 A HN 0.174 nan 8.150 nan 0.000 0.443 520 L N -2.386 118.776 121.223 -0.102 0.000 2.056 520 L HA -0.179 4.161 4.340 0.001 0.000 0.207 520 L C 2.565 179.269 176.870 -0.278 0.000 1.078 520 L CA 1.354 56.085 54.840 -0.182 0.000 0.749 520 L CB -0.649 41.272 42.059 -0.229 0.000 0.901 520 L HN 0.445 nan 8.230 nan 0.000 0.433 521 Y N 0.007 120.141 120.300 -0.276 0.000 2.293 521 Y HA -0.145 4.405 4.550 0.001 0.000 0.291 521 Y C 2.535 178.307 175.900 -0.212 0.000 1.137 521 Y CA 1.019 58.933 58.100 -0.310 0.000 1.202 521 Y CB -0.368 37.801 38.460 -0.484 0.000 0.990 521 Y HN 0.119 nan 8.280 nan 0.000 0.537 522 A N -0.663 122.142 122.820 -0.024 0.000 2.239 522 A HA -0.098 4.222 4.320 0.001 0.000 0.209 522 A C 1.679 179.231 177.584 -0.054 0.000 1.171 522 A CA 0.930 52.949 52.037 -0.029 0.000 0.768 522 A CB -0.324 18.667 19.000 -0.014 0.000 0.790 522 A HN 0.545 nan 8.150 nan 0.000 0.478 523 Q N -1.061 118.688 119.800 -0.085 0.000 2.217 523 Q HA 0.041 4.382 4.340 0.001 0.000 0.217 523 Q C 1.646 177.591 176.000 -0.091 0.000 0.844 523 Q CA 0.153 55.912 55.803 -0.074 0.000 0.957 523 Q CB 0.304 29.003 28.738 -0.065 0.000 1.127 523 Q HN 0.847 nan 8.270 nan 0.000 0.503 524 R N 0.409 120.811 120.500 -0.163 0.000 2.249 524 R HA -0.064 4.276 4.340 0.001 0.000 0.230 524 R C 0.775 177.010 176.300 -0.109 0.000 1.121 524 R CA 1.339 57.304 56.100 -0.225 0.000 0.997 524 R CB -0.144 29.789 30.300 -0.611 0.000 0.867 524 R HN 0.081 nan 8.270 nan 0.000 0.465 525 N N 0.483 119.143 118.700 -0.066 0.000 2.236 525 N HA -0.028 4.713 4.740 0.001 0.000 0.196 525 N C -0.753 174.768 175.510 0.018 0.000 1.114 525 N CA 0.183 53.237 53.050 0.006 0.000 0.859 525 N CB 0.412 38.901 38.487 0.003 0.000 0.982 525 N HN 0.232 nan 8.380 nan 0.000 0.493 526 D N 2.072 122.474 120.400 0.003 0.000 2.428 526 D HA 0.151 4.792 4.640 0.001 0.000 0.221 526 D C -1.508 174.799 176.300 0.013 0.000 1.123 526 D CA -2.204 51.799 54.000 0.005 0.000 0.869 526 D CB 1.564 42.360 40.800 -0.007 0.000 1.032 526 D HN 0.020 nan 8.370 nan 0.000 0.506 527 P HA -0.090 nan 4.420 nan 0.000 0.226 527 P C 0.734 178.038 177.300 0.008 0.000 1.146 527 P CA 0.498 63.608 63.100 0.017 0.000 0.773 527 P CB 0.449 32.157 31.700 0.013 0.000 0.772 528 S N -0.895 114.807 115.700 0.004 0.000 2.528 528 S HA 0.023 4.493 4.470 0.001 0.000 0.219 528 S C 1.214 175.813 174.600 -0.002 0.000 0.985 528 S CA 0.503 58.703 58.200 0.000 0.000 0.914 528 S CB -0.407 62.793 63.200 -0.001 0.000 0.776 528 S HN 0.439 nan 8.310 nan 0.000 0.526 529 T N -1.067 113.486 114.554 -0.002 0.000 2.927 529 T HA 0.735 5.086 4.350 0.001 0.000 0.281 529 T C 1.259 175.958 174.700 -0.002 0.000 0.998 529 T CA -0.269 61.827 62.100 -0.006 0.000 1.019 529 T CB 1.590 70.450 68.868 -0.014 0.000 1.061 529 T HN -0.036 nan 8.240 nan 0.000 0.518 530 A N 1.189 124.007 122.820 -0.004 0.000 1.930 530 A HA 0.243 4.563 4.320 0.001 0.000 0.217 530 A C 2.583 180.169 177.584 0.003 0.000 1.175 530 A CA 1.663 53.700 52.037 0.001 0.000 0.627 530 A CB -1.484 17.518 19.000 0.003 0.000 0.815 530 A HN 1.242 nan 8.150 nan 0.000 0.443 531 A N -0.373 122.438 122.820 -0.016 0.000 1.877 531 A HA 0.111 4.432 4.320 0.001 0.000 0.216 531 A C 2.418 180.014 177.584 0.019 0.000 1.186 531 A CA 1.970 53.987 52.037 -0.034 0.000 0.620 531 A CB -1.397 17.543 19.000 -0.101 0.000 0.822 531 A HN 0.704 nan 8.150 nan 0.000 0.443 532 G N -1.024 107.788 108.800 0.019 0.000 2.418 532 G HA2 -0.207 3.753 3.960 0.001 0.000 0.217 532 G HA3 -0.207 3.753 3.960 0.001 0.000 0.217 532 G C 1.615 176.572 174.900 0.094 0.000 1.158 532 G CA 1.015 46.155 45.100 0.066 0.000 0.771 532 G HN 0.623 nan 8.290 nan 0.000 0.545 533 Q N -0.179 119.649 119.800 0.048 0.000 2.061 533 Q HA -0.042 4.299 4.340 0.001 0.000 0.204 533 Q C 2.615 178.635 176.000 0.034 0.000 0.984 533 Q CA 1.293 57.115 55.803 0.031 0.000 0.846 533 Q CB -0.233 28.512 28.738 0.012 0.000 0.902 533 Q HN 0.534 nan 8.270 nan 0.000 0.421 534 I N -0.558 120.037 120.570 0.042 0.000 2.179 534 I HA -0.299 3.871 4.170 0.001 0.000 0.242 534 I C 2.196 178.337 176.117 0.039 0.000 1.088 534 I CA 1.213 62.533 61.300 0.034 0.000 1.357 534 I CB -0.369 37.656 38.000 0.042 0.000 1.051 534 I HN 0.224 nan 8.210 nan 0.000 0.409 535 Y N 1.968 122.256 120.300 -0.020 0.000 2.030 535 Y HA -0.349 4.202 4.550 0.001 0.000 0.274 535 Y C 2.796 178.707 175.900 0.019 0.000 1.153 535 Y CA 1.819 59.922 58.100 0.004 0.000 1.115 535 Y CB -0.389 38.083 38.460 0.020 0.000 0.969 535 Y HN 0.134 nan 8.280 nan 0.000 0.488 536 Q N 0.397 120.244 119.800 0.078 0.000 2.197 536 Q HA -0.205 4.136 4.340 0.001 0.000 0.207 536 Q C 1.863 177.827 176.000 -0.060 0.000 0.984 536 Q CA 1.737 57.536 55.803 -0.006 0.000 0.869 536 Q CB -0.658 28.122 28.738 0.070 0.000 0.906 536 Q HN 0.596 nan 8.270 nan 0.000 0.426 537 D N 0.019 120.390 120.400 -0.048 0.000 2.087 537 D HA -0.121 4.519 4.640 0.001 0.000 0.192 537 D C 2.039 178.290 176.300 -0.082 0.000 0.993 537 D CA 0.828 54.800 54.000 -0.045 0.000 0.828 537 D CB -0.085 40.687 40.800 -0.046 0.000 0.968 537 D HN 0.117 nan 8.370 nan 0.000 0.448 538 L N 0.448 121.585 121.223 -0.144 0.000 2.046 538 L HA -0.107 4.234 4.340 0.001 0.000 0.208 538 L C 2.372 179.116 176.870 -0.209 0.000 1.077 538 L CA 1.135 55.865 54.840 -0.184 0.000 0.747 538 L CB -0.628 41.282 42.059 -0.249 0.000 0.896 538 L HN -0.085 nan 8.230 nan 0.000 0.432 539 R N -0.976 119.332 120.500 -0.320 0.000 2.091 539 R HA -0.236 4.104 4.340 0.001 0.000 0.238 539 R C 2.459 178.694 176.300 -0.108 0.000 1.136 539 R CA 1.685 57.609 56.100 -0.293 0.000 0.959 539 R CB -0.637 29.390 30.300 -0.454 0.000 0.856 539 R HN 0.509 nan 8.270 nan 0.000 0.437 540 H N -0.355 118.623 119.070 -0.154 0.000 2.321 540 H HA -0.028 4.529 4.556 0.001 0.000 0.300 540 H C 1.785 177.064 175.328 -0.082 0.000 1.087 540 H CA 2.477 58.467 56.048 -0.098 0.000 1.319 540 H CB -0.151 29.551 29.762 -0.099 0.000 1.379 540 H HN 0.202 nan 8.280 nan 0.000 0.501 541 M N -0.621 118.817 119.600 -0.271 0.000 2.229 541 M HA -0.094 4.386 4.480 0.001 0.000 0.264 541 M C 2.265 178.515 176.300 -0.082 0.000 1.063 541 M CA 1.354 56.504 55.300 -0.250 0.000 1.114 541 M CB -0.083 32.405 32.600 -0.187 0.000 1.387 541 M HN 0.306 nan 8.290 nan 0.000 0.420 542 I N 0.054 120.564 120.570 -0.099 0.000 2.252 542 I HA -0.234 3.937 4.170 0.001 0.000 0.245 542 I C 2.743 178.801 176.117 -0.099 0.000 1.102 542 I CA 1.099 62.348 61.300 -0.085 0.000 1.385 542 I CB -0.555 37.394 38.000 -0.085 0.000 1.064 542 I HN 0.236 nan 8.210 nan 0.000 0.414 543 A N 0.663 123.427 122.820 -0.093 0.000 1.865 543 A HA -0.182 4.139 4.320 0.001 0.000 0.217 543 A C 2.429 179.962 177.584 -0.085 0.000 1.191 543 A CA 2.057 54.059 52.037 -0.059 0.000 0.623 543 A CB -1.084 17.912 19.000 -0.007 0.000 0.826 543 A HN 0.231 nan 8.150 nan 0.000 0.444 544 V N 0.443 120.269 119.914 -0.148 0.000 2.287 544 V HA -0.300 3.821 4.120 0.001 0.000 0.248 544 V C 2.695 178.604 176.094 -0.308 0.000 1.053 544 V CA 2.406 64.622 62.300 -0.140 0.000 1.027 544 V CB -0.915 30.851 31.823 -0.096 0.000 0.646 544 V HN 0.711 nan 8.190 nan 0.000 0.447 545 R N 0.073 120.284 120.500 -0.482 0.000 2.096 545 R HA -0.247 4.094 4.340 0.001 0.000 0.240 545 R C 2.303 178.428 176.300 -0.293 0.000 1.139 545 R CA 2.248 57.912 56.100 -0.727 0.000 0.952 545 R CB -0.279 29.737 30.300 -0.474 0.000 0.854 545 R HN 0.625 nan 8.270 nan 0.000 0.436 546 Q N -0.225 119.483 119.800 -0.153 0.000 2.230 546 Q HA -0.074 4.266 4.340 0.001 0.000 0.202 546 Q C 2.063 178.055 176.000 -0.013 0.000 0.963 546 Q CA 1.699 57.468 55.803 -0.057 0.000 0.866 546 Q CB 0.213 28.930 28.738 -0.034 0.000 0.931 546 Q HN 0.494 nan 8.270 nan 0.000 0.452 547 S N -0.271 115.423 115.700 -0.010 0.000 2.470 547 S HA 0.026 4.497 4.470 0.001 0.000 0.222 547 S C 0.806 175.448 174.600 0.071 0.000 1.024 547 S CA -0.300 57.920 58.200 0.033 0.000 0.931 547 S CB 0.127 63.351 63.200 0.039 0.000 0.791 547 S HN 0.109 nan 8.310 nan 0.000 0.513 548 N N 3.274 122.038 118.700 0.108 0.000 2.420 548 N HA 0.301 5.042 4.740 0.001 0.000 0.249 548 N C -1.905 173.745 175.510 0.234 0.000 1.033 548 N CA -1.903 51.274 53.050 0.211 0.000 0.944 548 N CB 1.793 40.519 38.487 0.398 0.000 1.113 548 N HN 0.118 nan 8.380 nan 0.000 0.502 549 P HA -0.109 nan 4.420 nan 0.000 0.222 549 P C 0.660 177.988 177.300 0.048 0.000 1.147 549 P CA 0.868 64.018 63.100 0.083 0.000 0.790 549 P CB 0.408 32.136 31.700 0.046 0.000 0.780 550 R N -1.284 119.214 120.500 -0.004 0.000 2.293 550 R HA -0.042 4.299 4.340 0.001 0.000 0.219 550 R C 1.492 177.579 176.300 -0.355 0.000 1.091 550 R CA 0.961 56.937 56.100 -0.207 0.000 1.004 550 R CB -0.636 29.459 30.300 -0.343 0.000 0.865 550 R HN 0.285 nan 8.270 nan 0.000 0.469 551 F N -0.034 119.850 119.950 -0.111 0.000 2.749 551 F HA 0.124 4.651 4.527 0.001 0.000 0.300 551 F C 0.783 176.533 175.800 -0.083 0.000 1.103 551 F CA -0.706 57.211 58.000 -0.138 0.000 1.342 551 F CB -0.028 38.856 39.000 -0.193 0.000 1.098 551 F HN -0.146 nan 8.300 nan 0.000 0.586 552 D N 0.423 120.877 120.400 0.090 0.000 2.400 552 D HA 0.385 5.026 4.640 0.001 0.000 0.238 552 D C 0.699 177.014 176.300 0.025 0.000 1.157 552 D CA 1.684 55.715 54.000 0.052 0.000 0.889 552 D CB 0.647 41.469 40.800 0.038 0.000 1.199 552 D HN 0.393 nan 8.370 nan 0.000 0.436 553 G N 1.207 110.018 108.800 0.018 0.000 2.796 553 G HA2 0.089 4.050 3.960 0.001 0.000 0.571 553 G HA3 0.089 4.050 3.960 0.001 0.000 0.571 553 G C 0.526 175.442 174.900 0.027 0.000 1.370 553 G CA -0.091 45.013 45.100 0.007 0.000 0.856 553 G HN 0.878 nan 8.290 nan 0.000 0.538 554 G N -0.476 108.338 108.800 0.023 0.000 3.377 554 G HA2 0.424 4.385 3.960 0.001 0.000 0.257 554 G HA3 0.424 4.385 3.960 0.001 0.000 0.257 554 G C 0.648 175.641 174.900 0.155 0.000 1.038 554 G CA 0.031 45.179 45.100 0.080 0.000 0.809 554 G HN 0.539 nan 8.290 nan 0.000 0.526 555 R N 0.433 120.988 120.500 0.093 0.000 2.459 555 R HA 0.641 4.981 4.340 0.001 0.000 0.281 555 R C -0.464 175.894 176.300 0.097 0.000 1.050 555 R CA -0.416 55.749 56.100 0.109 0.000 1.055 555 R CB 1.484 31.805 30.300 0.034 0.000 1.045 555 R HN 0.304 nan 8.270 nan 0.000 0.495 556 L N -1.766 119.515 121.223 0.097 0.000 2.540 556 L HA 0.671 5.012 4.340 0.001 0.000 0.256 556 L C -1.190 175.668 176.870 -0.019 0.000 1.001 556 L CA -0.982 53.845 54.840 -0.021 0.000 0.843 556 L CB 1.882 43.809 42.059 -0.220 0.000 1.436 556 L HN 0.189 nan 8.230 nan 0.000 0.410 557 V N 0.686 120.593 119.914 -0.011 0.000 2.531 557 V HA 0.653 4.773 4.120 0.001 0.000 0.301 557 V C 0.240 176.360 176.094 0.043 0.000 1.034 557 V CA 0.084 62.383 62.300 -0.001 0.000 0.865 557 V CB 1.953 33.785 31.823 0.016 0.000 0.995 557 V HN 1.071 nan 8.190 nan 0.000 0.424 558 T N 1.822 116.378 114.554 0.003 0.000 2.918 558 T HA 0.556 4.907 4.350 0.001 0.000 0.302 558 T C -0.731 174.101 174.700 0.219 0.000 1.045 558 T CA -0.137 62.017 62.100 0.089 0.000 1.114 558 T CB 0.850 69.634 68.868 -0.140 0.000 0.965 558 T HN 0.434 nan 8.240 nan 0.000 0.540 559 F N 2.731 122.766 119.950 0.141 0.000 2.467 559 F HA 0.468 4.995 4.527 0.001 0.000 0.336 559 F C -0.173 175.730 175.800 0.171 0.000 1.123 559 F CA -1.307 56.763 58.000 0.117 0.000 0.964 559 F CB 1.452 40.478 39.000 0.043 0.000 1.136 559 F HN 0.705 nan 8.300 nan 0.000 0.447 560 N N 3.178 121.594 118.700 -0.474 0.000 2.431 560 N HA 0.065 4.805 4.740 0.001 0.000 0.265 560 N C 0.820 176.051 175.510 -0.465 0.000 1.184 560 N CA 0.637 53.452 53.050 -0.393 0.000 0.943 560 N CB 1.057 39.342 38.487 -0.337 0.000 1.080 560 N HN 0.743 nan 8.380 nan 0.000 0.477 561 T N 0.243 114.745 114.554 -0.088 0.000 3.067 561 T HA 0.045 4.396 4.350 0.001 0.000 0.257 561 T C 0.418 175.101 174.700 -0.028 0.000 1.105 561 T CA -0.027 62.128 62.100 0.092 0.000 1.104 561 T CB -0.213 68.767 68.868 0.187 0.000 0.925 561 T HN 0.620 nan 8.240 nan 0.000 0.498 562 N N 1.833 120.472 118.700 -0.102 0.000 2.753 562 N HA -0.147 4.594 4.740 0.001 0.000 0.251 562 N C -0.720 174.741 175.510 -0.082 0.000 1.097 562 N CA 0.966 53.958 53.050 -0.097 0.000 0.786 562 N CB -1.560 36.885 38.487 -0.071 0.000 1.137 562 N HN 0.606 nan 8.380 nan 0.000 0.566 563 N N 0.843 119.498 118.700 -0.075 0.000 2.504 563 N HA 0.113 4.854 4.740 0.001 0.000 0.280 563 N C 0.977 176.423 175.510 -0.107 0.000 1.052 563 N CA -0.441 52.567 53.050 -0.070 0.000 0.887 563 N CB 1.062 39.539 38.487 -0.017 0.000 1.323 563 N HN 0.192 nan 8.380 nan 0.000 0.509 564 K N 2.186 122.452 120.400 -0.224 0.000 2.520 564 K HA -0.097 4.223 4.320 0.001 0.000 0.197 564 K C 0.090 176.523 176.600 -0.277 0.000 1.043 564 K CA 1.227 57.337 56.287 -0.294 0.000 0.944 564 K CB -0.023 32.246 32.500 -0.383 0.000 0.770 564 K HN 0.498 nan 8.250 nan 0.000 0.480 565 H N 0.024 119.106 119.070 0.020 0.000 2.705 565 H HA 0.314 4.871 4.556 0.001 0.000 0.269 565 H C 0.207 175.620 175.328 0.140 0.000 0.998 565 H CA -0.078 56.011 56.048 0.067 0.000 1.193 565 H CB 0.513 30.306 29.762 0.052 0.000 1.485 565 H HN 0.122 nan 8.280 nan 0.000 0.521 566 I N 1.687 122.380 120.570 0.205 0.000 2.378 566 I HA 0.169 4.340 4.170 0.001 0.000 0.291 566 I C -0.388 175.887 176.117 0.265 0.000 0.992 566 I CA -0.955 60.488 61.300 0.237 0.000 1.154 566 I CB 2.304 40.381 38.000 0.129 0.000 1.315 566 I HN -0.138 nan 8.210 nan 0.000 0.448 567 I N 4.921 125.719 120.570 0.380 0.000 2.499 567 I HA 0.749 4.920 4.170 0.001 0.000 0.296 567 I C 0.241 176.615 176.117 0.429 0.000 0.992 567 I CA 0.207 61.738 61.300 0.384 0.000 1.297 567 I CB 1.572 39.834 38.000 0.437 0.000 1.410 567 I HN 0.616 nan 8.210 nan 0.000 0.507 568 G N 6.003 115.056 108.800 0.422 0.000 2.753 568 G HA2 0.623 4.584 3.960 0.001 0.000 0.297 568 G HA3 0.623 4.584 3.960 0.001 0.000 0.297 568 G C -2.018 173.048 174.900 0.276 0.000 1.430 568 G CA -0.465 44.802 45.100 0.278 0.000 1.040 568 G HN 0.714 nan 8.290 nan 0.000 0.530 569 Y N -0.627 119.666 120.300 -0.011 0.000 2.656 569 Y HA 0.788 5.339 4.550 0.001 0.000 0.334 569 Y C -1.248 174.551 175.900 -0.168 0.000 1.179 569 Y CA -1.845 56.225 58.100 -0.049 0.000 1.050 569 Y CB 1.317 39.728 38.460 -0.082 0.000 1.308 569 Y HN 0.500 nan 8.280 nan 0.000 0.456 570 I N 3.154 123.757 120.570 0.055 0.000 2.465 570 I HA 0.504 4.675 4.170 0.001 0.000 0.291 570 I C -0.858 175.224 176.117 -0.059 0.000 1.014 570 I CA -1.179 60.068 61.300 -0.090 0.000 1.093 570 I CB 1.763 39.702 38.000 -0.101 0.000 1.267 570 I HN 0.513 nan 8.210 nan 0.000 0.431 571 R N 5.276 125.684 120.500 -0.154 0.000 2.294 571 R HA 0.347 4.687 4.340 0.001 0.000 0.319 571 R C 0.142 176.334 176.300 -0.179 0.000 0.984 571 R CA -0.667 55.333 56.100 -0.167 0.000 0.861 571 R CB 0.703 30.832 30.300 -0.285 0.000 1.104 571 R HN 0.638 nan 8.270 nan 0.000 0.451 572 N N 1.835 120.467 118.700 -0.113 0.000 2.678 572 N HA -0.288 4.453 4.740 0.001 0.000 0.249 572 N C -0.133 175.321 175.510 -0.093 0.000 1.119 572 N CA 1.148 54.141 53.050 -0.094 0.000 0.718 572 N CB -0.670 37.754 38.487 -0.105 0.000 1.060 572 N HN 0.802 nan 8.380 nan 0.000 0.552 573 N N -2.177 116.469 118.700 -0.091 0.000 2.708 573 N HA -0.285 4.456 4.740 0.001 0.000 0.251 573 N C 0.492 175.942 175.510 -0.100 0.000 1.123 573 N CA 1.495 54.497 53.050 -0.080 0.000 0.739 573 N CB -0.947 37.511 38.487 -0.049 0.000 1.113 573 N HN 0.681 nan 8.380 nan 0.000 0.561 574 A N -1.808 120.927 122.820 -0.143 0.000 2.377 574 A HA 0.364 4.685 4.320 0.001 0.000 0.209 574 A C -0.133 177.326 177.584 -0.209 0.000 1.359 574 A CA -0.078 51.870 52.037 -0.147 0.000 1.026 574 A CB 0.665 19.589 19.000 -0.126 0.000 1.224 574 A HN 0.185 nan 8.150 nan 0.000 0.528 575 L N 1.609 122.654 121.223 -0.296 0.000 2.342 575 L HA 0.592 4.933 4.340 0.001 0.000 0.276 575 L C -1.745 174.889 176.870 -0.394 0.000 0.997 575 L CA -0.627 53.978 54.840 -0.392 0.000 0.838 575 L CB 1.377 43.020 42.059 -0.693 0.000 1.224 575 L HN 0.249 nan 8.230 nan 0.000 0.416 576 L N 5.328 126.317 121.223 -0.389 0.000 2.265 576 L HA 0.714 5.055 4.340 0.001 0.000 0.289 576 L C -0.199 176.299 176.870 -0.620 0.000 1.033 576 L CA -0.053 54.453 54.840 -0.556 0.000 0.814 576 L CB 1.370 43.050 42.059 -0.631 0.000 1.203 576 L HN 0.708 nan 8.230 nan 0.000 0.423 577 A N 4.913 127.266 122.820 -0.779 0.000 2.304 577 A HA 0.770 5.091 4.320 0.001 0.000 0.323 577 A C -1.235 175.921 177.584 -0.712 0.000 1.195 577 A CA -0.331 51.307 52.037 -0.665 0.000 0.826 577 A CB 0.289 18.720 19.000 -0.949 0.000 1.184 577 A HN 0.558 nan 8.150 nan 0.000 0.496 578 F N 0.768 120.652 119.950 -0.110 0.000 2.546 578 F HA 0.715 5.243 4.527 0.001 0.000 0.320 578 F C 0.706 176.520 175.800 0.022 0.000 1.076 578 F CA -0.843 57.135 58.000 -0.037 0.000 0.928 578 F CB 2.792 41.780 39.000 -0.019 0.000 1.189 578 F HN 0.699 nan 8.300 nan 0.000 0.465 579 G N 1.730 110.716 108.800 0.311 0.000 2.719 579 G HA2 0.306 4.267 3.960 0.001 0.000 0.284 579 G HA3 0.306 4.267 3.960 0.001 0.000 0.284 579 G C -1.829 173.180 174.900 0.182 0.000 1.488 579 G CA -0.713 44.496 45.100 0.182 0.000 1.139 579 G HN 0.475 nan 8.290 nan 0.000 0.552 580 N N 1.884 120.600 118.700 0.027 0.000 2.420 580 N HA 0.305 5.045 4.740 0.001 0.000 0.249 580 N C -0.077 175.375 175.510 -0.096 0.000 1.033 580 N CA -0.976 52.085 53.050 0.019 0.000 0.944 580 N CB 0.497 38.942 38.487 -0.071 0.000 1.113 580 N HN 0.254 nan 8.380 nan 0.000 0.502 581 F N 0.879 120.845 119.950 0.026 0.000 2.664 581 F HA 0.240 4.767 4.527 0.001 0.000 0.301 581 F C 1.352 177.077 175.800 -0.125 0.000 1.126 581 F CA -0.149 57.894 58.000 0.071 0.000 1.373 581 F CB 0.037 39.122 39.000 0.141 0.000 1.042 581 F HN 0.305 nan 8.300 nan 0.000 0.535 582 S N 0.663 116.195 115.700 -0.280 0.000 2.565 582 S HA 0.163 4.634 4.470 0.001 0.000 0.290 582 S C 1.114 175.098 174.600 -1.027 0.000 1.150 582 S CA -0.688 57.214 58.200 -0.497 0.000 1.058 582 S CB 0.792 63.723 63.200 -0.448 0.000 1.032 582 S HN 0.426 nan 8.310 nan 0.000 0.510 583 E N 2.746 122.350 120.200 -0.992 0.000 2.494 583 E HA 0.007 4.358 4.350 0.001 0.000 0.193 583 E C -0.890 175.181 176.600 -0.881 0.000 1.074 583 E CA 0.306 55.998 56.400 -1.179 0.000 0.867 583 E CB -0.184 29.020 29.700 -0.826 0.000 0.924 583 E HN 0.619 nan 8.360 nan 0.000 0.502 584 Y N 0.150 120.239 120.300 -0.352 0.000 2.570 584 Y HA 0.458 5.009 4.550 0.001 0.000 0.345 584 Y C -2.327 173.455 175.900 -0.196 0.000 1.014 584 Y CA -3.354 54.627 58.100 -0.198 0.000 1.063 584 Y CB 0.992 39.358 38.460 -0.157 0.000 1.272 584 Y HN -0.197 nan 8.280 nan 0.000 0.477 585 P HA 0.085 nan 4.420 nan 0.000 0.266 585 P C -0.885 176.409 177.300 -0.009 0.000 1.195 585 P CA 0.134 63.233 63.100 -0.003 0.000 0.768 585 P CB 0.531 32.238 31.700 0.011 0.000 0.838 586 Q N 0.980 120.764 119.800 -0.028 0.000 2.359 586 Q HA 0.469 4.810 4.340 0.001 0.000 0.274 586 Q C -0.783 175.198 176.000 -0.033 0.000 1.074 586 Q CA -0.355 55.445 55.803 -0.005 0.000 0.810 586 Q CB 2.252 31.006 28.738 0.025 0.000 1.342 586 Q HN 0.297 nan 8.270 nan 0.000 0.427 587 T N 0.428 114.964 114.554 -0.030 0.000 2.885 587 T HA 0.577 4.928 4.350 0.001 0.000 0.285 587 T C -0.344 174.302 174.700 -0.090 0.000 1.019 587 T CA -0.519 61.542 62.100 -0.065 0.000 1.010 587 T CB 1.519 70.360 68.868 -0.045 0.000 1.022 587 T HN 0.233 nan 8.240 nan 0.000 0.466 588 V N 3.680 123.504 119.914 -0.150 0.000 2.334 588 V HA 0.353 4.474 4.120 0.001 0.000 0.281 588 V C 0.956 176.998 176.094 -0.087 0.000 1.016 588 V CA -0.972 61.231 62.300 -0.162 0.000 0.832 588 V CB 1.028 32.618 31.823 -0.388 0.000 0.999 588 V HN 1.153 nan 8.190 nan 0.000 0.439 589 T N 2.622 117.158 114.554 -0.030 0.000 2.903 589 T HA 0.299 4.650 4.350 0.001 0.000 0.314 589 T C 1.504 176.216 174.700 0.019 0.000 1.078 589 T CA 0.247 62.348 62.100 0.001 0.000 1.114 589 T CB 1.346 70.230 68.868 0.026 0.000 0.987 589 T HN 0.800 nan 8.240 nan 0.000 0.548 590 A N 1.175 124.002 122.820 0.011 0.000 1.940 590 A HA -0.185 4.136 4.320 0.001 0.000 0.219 590 A C 2.306 179.897 177.584 0.011 0.000 1.176 590 A CA 1.889 53.919 52.037 -0.012 0.000 0.631 590 A CB -1.368 17.618 19.000 -0.024 0.000 0.814 590 A HN 1.099 nan 8.150 nan 0.000 0.446 591 H N -0.112 118.944 119.070 -0.024 0.000 2.387 591 H HA -0.101 4.456 4.556 0.001 0.000 0.299 591 H C 1.806 177.138 175.328 0.007 0.000 1.099 591 H CA 1.981 58.021 56.048 -0.013 0.000 1.315 591 H CB -0.149 29.603 29.762 -0.017 0.000 1.380 591 H HN 0.427 nan 8.280 nan 0.000 0.513 592 T N 0.977 115.613 114.554 0.136 0.000 2.951 592 T HA -0.013 4.337 4.350 0.001 0.000 0.268 592 T C 2.117 176.930 174.700 0.188 0.000 1.073 592 T CA 0.748 62.926 62.100 0.130 0.000 1.134 592 T CB 0.014 68.959 68.868 0.130 0.000 0.884 592 T HN 0.259 nan 8.240 nan 0.000 0.479 593 L N 0.697 121.993 121.223 0.122 0.000 2.592 593 L HA 0.151 4.491 4.340 0.001 0.000 0.227 593 L C 2.391 179.260 176.870 -0.001 0.000 1.127 593 L CA 0.138 55.046 54.840 0.114 0.000 0.884 593 L CB -0.456 41.627 42.059 0.040 0.000 1.065 593 L HN 0.210 nan 8.230 nan 0.000 0.457 594 Q N 0.810 120.567 119.800 -0.072 0.000 2.242 594 Q HA -0.275 4.066 4.340 0.001 0.000 0.211 594 Q C 2.185 178.155 176.000 -0.050 0.000 0.992 594 Q CA 1.916 57.651 55.803 -0.114 0.000 0.889 594 Q CB -0.350 28.285 28.738 -0.171 0.000 0.913 594 Q HN 0.615 nan 8.270 nan 0.000 0.422 595 A N -0.373 122.451 122.820 0.007 0.000 2.238 595 A HA 0.040 4.361 4.320 0.001 0.000 0.208 595 A C 0.729 178.332 177.584 0.031 0.000 1.177 595 A CA 0.264 52.322 52.037 0.036 0.000 0.804 595 A CB 0.143 19.188 19.000 0.074 0.000 0.823 595 A HN 0.130 nan 8.150 nan 0.000 0.482 596 M N 0.905 120.507 119.600 0.003 0.000 2.409 596 M HA 0.335 4.816 4.480 0.001 0.000 0.329 596 M C -2.427 173.873 176.300 -0.001 0.000 1.180 596 M CA -2.743 52.546 55.300 -0.019 0.000 1.053 596 M CB 0.426 32.995 32.600 -0.052 0.000 1.586 596 M HN -0.027 nan 8.290 nan 0.000 0.461 597 P HA 0.020 nan 4.420 nan 0.000 0.268 597 P C 0.410 177.792 177.300 0.137 0.000 1.208 597 P CA 0.008 63.186 63.100 0.131 0.000 0.777 597 P CB 0.443 32.200 31.700 0.094 0.000 0.875 598 F N 0.376 120.333 119.950 0.012 0.000 2.216 598 F HA -0.066 4.462 4.527 0.001 0.000 0.300 598 F C 1.561 177.374 175.800 0.022 0.000 1.085 598 F CA 1.656 59.666 58.000 0.016 0.000 1.326 598 F CB -0.209 38.800 39.000 0.014 0.000 1.027 598 F HN 0.201 nan 8.300 nan 0.000 0.497 599 K N -0.844 119.669 120.400 0.188 0.000 2.469 599 K HA 0.761 5.082 4.320 0.001 0.000 0.254 599 K C -1.177 175.480 176.600 0.095 0.000 0.939 599 K CA -0.828 55.531 56.287 0.121 0.000 0.812 599 K CB 2.629 35.201 32.500 0.120 0.000 1.301 599 K HN -0.152 nan 8.250 nan 0.000 0.433 600 A N 1.482 124.355 122.820 0.088 0.000 2.547 600 A HA 0.308 4.628 4.320 0.001 0.000 0.297 600 A C -1.680 175.981 177.584 0.128 0.000 1.056 600 A CA -0.671 51.419 52.037 0.088 0.000 0.688 600 A CB 1.076 20.102 19.000 0.043 0.000 1.282 600 A HN 0.847 nan 8.150 nan 0.000 0.400 601 H N 1.485 120.582 119.070 0.045 0.000 2.646 601 H HA 0.284 4.841 4.556 0.001 0.000 0.325 601 H C -1.156 174.219 175.328 0.079 0.000 1.075 601 H CA 0.247 56.331 56.048 0.059 0.000 1.421 601 H CB 0.966 30.765 29.762 0.061 0.000 1.461 601 H HN 0.713 nan 8.280 nan 0.000 0.525 602 D N 5.030 125.202 120.400 -0.379 0.000 2.359 602 D HA 0.074 4.714 4.640 0.001 0.000 0.230 602 D C 0.936 177.000 176.300 -0.394 0.000 1.118 602 D CA -0.467 53.383 54.000 -0.250 0.000 0.844 602 D CB 0.666 41.404 40.800 -0.104 0.000 1.059 602 D HN 0.576 nan 8.370 nan 0.000 0.493 603 L N 3.723 124.868 121.223 -0.130 0.000 2.265 603 L HA -0.113 4.227 4.340 0.001 0.000 0.215 603 L C 1.772 178.701 176.870 0.098 0.000 1.117 603 L CA 0.277 55.147 54.840 0.050 0.000 0.782 603 L CB -0.312 41.941 42.059 0.323 0.000 0.914 603 L HN 0.609 nan 8.230 nan 0.000 0.441 604 I N 0.119 120.671 120.570 -0.030 0.000 2.162 604 I HA -0.111 4.059 4.170 0.001 0.000 0.238 604 I C 2.427 178.537 176.117 -0.011 0.000 1.076 604 I CA 1.908 63.136 61.300 -0.121 0.000 1.353 604 I CB -1.574 36.237 38.000 -0.315 0.000 1.063 604 I HN 0.214 nan 8.210 nan 0.000 0.408 605 G N -1.159 107.607 108.800 -0.058 0.000 2.838 605 G HA2 0.261 4.222 3.960 0.001 0.000 0.210 605 G HA3 0.261 4.222 3.960 0.001 0.000 0.210 605 G C 1.376 176.257 174.900 -0.033 0.000 1.153 605 G CA 0.674 45.742 45.100 -0.052 0.000 0.778 605 G HN 0.603 nan 8.290 nan 0.000 0.539 606 G N -0.140 108.635 108.800 -0.042 0.000 2.205 606 G HA2 -0.278 3.683 3.960 0.001 0.000 0.261 606 G HA3 -0.278 3.683 3.960 0.001 0.000 0.261 606 G C 0.550 175.531 174.900 0.136 0.000 0.980 606 G CA 0.598 45.733 45.100 0.059 0.000 0.632 606 G HN 0.594 nan 8.290 nan 0.000 0.533 607 K N 0.627 121.051 120.400 0.040 0.000 2.126 607 K HA 0.522 4.843 4.320 0.001 0.000 0.257 607 K C -0.002 176.673 176.600 0.125 0.000 1.007 607 K CA -0.084 56.256 56.287 0.088 0.000 0.928 607 K CB 0.708 33.233 32.500 0.042 0.000 1.013 607 K HN 0.071 nan 8.250 nan 0.000 0.473 608 T N 1.561 116.205 114.554 0.150 0.000 2.771 608 T HA 0.244 4.595 4.350 0.001 0.000 0.291 608 T C -0.341 174.411 174.700 0.088 0.000 0.954 608 T CA -0.603 61.588 62.100 0.152 0.000 1.045 608 T CB 0.727 69.673 68.868 0.131 0.000 0.917 608 T HN 0.136 nan 8.240 nan 0.000 0.484 609 V N 3.340 123.300 119.914 0.077 0.000 2.483 609 V HA 0.405 4.526 4.120 0.001 0.000 0.295 609 V C 0.278 176.405 176.094 0.055 0.000 1.035 609 V CA -0.826 61.507 62.300 0.054 0.000 0.896 609 V CB 2.031 33.882 31.823 0.046 0.000 0.986 609 V HN 0.906 nan 8.190 nan 0.000 0.447 610 S N 4.670 120.395 115.700 0.041 0.000 2.475 610 S HA 0.483 4.953 4.470 0.001 0.000 0.281 610 S C 0.616 175.212 174.600 -0.007 0.000 1.198 610 S CA -0.509 57.712 58.200 0.035 0.000 1.063 610 S CB 0.783 64.007 63.200 0.040 0.000 0.972 610 S HN 0.587 nan 8.310 nan 0.000 0.486 611 L N 2.809 124.006 121.223 -0.042 0.000 2.728 611 L HA 0.157 4.497 4.340 0.001 0.000 0.238 611 L C 0.873 177.620 176.870 -0.205 0.000 1.143 611 L CA -0.034 54.754 54.840 -0.086 0.000 0.937 611 L CB -0.473 41.551 42.059 -0.058 0.000 1.225 611 L HN 0.593 nan 8.230 nan 0.000 0.507 612 N N -0.008 118.520 118.700 -0.288 0.000 2.276 612 N HA 0.015 4.755 4.740 0.001 0.000 0.212 612 N C 0.089 175.484 175.510 -0.192 0.000 1.127 612 N CA -0.330 52.451 53.050 -0.448 0.000 0.834 612 N CB 0.290 38.319 38.487 -0.764 0.000 1.014 612 N HN 0.472 nan 8.380 nan 0.000 0.491 613 Q N -1.885 117.849 119.800 -0.111 0.000 2.534 613 Q HA 0.375 4.716 4.340 0.001 0.000 0.290 613 Q C -1.773 174.199 176.000 -0.047 0.000 0.991 613 Q CA -1.046 54.724 55.803 -0.054 0.000 0.783 613 Q CB 0.582 29.305 28.738 -0.025 0.000 1.470 613 Q HN -0.165 nan 8.270 nan 0.000 0.406 614 D N 1.194 121.575 120.400 -0.032 0.000 2.525 614 D HA 0.118 4.759 4.640 0.001 0.000 0.235 614 D C -0.852 175.419 176.300 -0.048 0.000 1.137 614 D CA 0.304 54.282 54.000 -0.037 0.000 0.868 614 D CB 0.548 41.332 40.800 -0.028 0.000 1.180 614 D HN 0.383 nan 8.370 nan 0.000 0.465 615 L N 2.693 123.871 121.223 -0.075 0.000 2.295 615 L HA 0.292 4.632 4.340 0.001 0.000 0.281 615 L C -0.489 176.320 176.870 -0.103 0.000 1.018 615 L CA -0.196 54.590 54.840 -0.091 0.000 0.841 615 L CB 1.316 43.295 42.059 -0.134 0.000 1.218 615 L HN 0.155 nan 8.230 nan 0.000 0.424 616 T N 6.427 120.941 114.554 -0.067 0.000 2.749 616 T HA 0.527 4.877 4.350 0.001 0.000 0.287 616 T C -0.073 174.594 174.700 -0.055 0.000 0.970 616 T CA -0.261 61.804 62.100 -0.059 0.000 0.980 616 T CB 0.551 69.398 68.868 -0.035 0.000 0.924 616 T HN 0.404 nan 8.240 nan 0.000 0.456 617 L N 3.413 124.598 121.223 -0.065 0.000 2.309 617 L HA 0.426 4.766 4.340 0.001 0.000 0.282 617 L C 0.707 177.549 176.870 -0.046 0.000 1.036 617 L CA -1.206 53.602 54.840 -0.053 0.000 0.806 617 L CB 1.085 43.108 42.059 -0.060 0.000 1.220 617 L HN 0.395 nan 8.230 nan 0.000 0.429 618 Q N 2.301 122.081 119.800 -0.033 0.000 2.471 618 Q HA 0.249 4.589 4.340 0.001 0.000 0.223 618 Q C -2.199 173.760 176.000 -0.068 0.000 1.045 618 Q CA -1.852 53.936 55.803 -0.026 0.000 0.956 618 Q CB 0.091 28.830 28.738 0.001 0.000 1.249 618 Q HN 0.283 nan 8.270 nan 0.000 0.549 619 P HA -0.106 nan 4.420 nan 0.000 0.258 619 P C -0.845 176.339 177.300 -0.194 0.000 1.172 619 P CA 0.707 63.641 63.100 -0.275 0.000 0.762 619 P CB -0.096 31.500 31.700 -0.173 0.000 0.764 620 Y N -0.671 119.524 120.300 -0.176 0.000 4.753 620 Y HA -0.283 4.268 4.550 0.001 0.000 0.232 620 Y C 1.040 176.840 175.900 -0.166 0.000 1.029 620 Y CA 0.897 58.872 58.100 -0.209 0.000 1.996 620 Y CB -2.529 35.800 38.460 -0.218 0.000 1.602 620 Y HN 0.432 nan 8.280 nan 0.000 0.621 621 Q N 0.595 120.381 119.800 -0.023 0.000 2.392 621 Q HA 0.464 4.805 4.340 0.001 0.000 0.262 621 Q C -0.443 175.533 176.000 -0.040 0.000 1.003 621 Q CA 0.107 55.892 55.803 -0.029 0.000 0.888 621 Q CB 1.346 30.069 28.738 -0.026 0.000 1.260 621 Q HN 0.248 nan 8.270 nan 0.000 0.435 622 V N 5.339 125.214 119.914 -0.065 0.000 2.604 622 V HA 0.605 4.726 4.120 0.001 0.000 0.305 622 V C -1.138 174.904 176.094 -0.086 0.000 1.043 622 V CA -0.673 61.587 62.300 -0.066 0.000 0.888 622 V CB 1.935 33.672 31.823 -0.143 0.000 0.995 622 V HN 0.965 nan 8.190 nan 0.000 0.429 623 M N 6.377 125.993 119.600 0.027 0.000 2.395 623 M HA 0.480 4.961 4.480 0.001 0.000 0.307 623 M C -1.856 174.575 176.300 0.218 0.000 1.091 623 M CA -0.329 55.007 55.300 0.060 0.000 0.919 623 M CB 2.582 35.272 32.600 0.149 0.000 1.662 623 M HN 0.657 nan 8.290 nan 0.000 0.440 624 W N 5.008 126.281 121.300 -0.045 0.000 2.453 624 W HA 0.480 5.140 4.660 0.001 0.000 0.298 624 W C -1.317 175.146 176.519 -0.094 0.000 0.983 624 W CA -1.009 56.300 57.345 -0.061 0.000 1.600 624 W CB 0.228 29.738 29.460 0.083 0.000 1.430 624 W HN 0.452 nan 8.180 nan 0.000 0.422 625 L N 2.661 123.903 121.223 0.032 0.000 2.281 625 L HA 0.264 4.605 4.340 0.001 0.000 0.285 625 L C 0.918 177.748 176.870 -0.066 0.000 1.074 625 L CA -0.245 54.581 54.840 -0.025 0.000 0.817 625 L CB 0.726 42.752 42.059 -0.055 0.000 1.168 625 L HN 0.127 nan 8.230 nan 0.000 0.434 626 E N 4.644 124.842 120.200 -0.003 0.000 2.129 626 E HA 0.107 4.457 4.350 0.001 0.000 0.283 626 E C 0.688 177.275 176.600 -0.022 0.000 1.080 626 E CA -0.078 56.313 56.400 -0.014 0.000 0.867 626 E CB 0.938 30.679 29.700 0.067 0.000 1.056 626 E HN 0.608 nan 8.360 nan 0.000 0.404 627 I N -0.769 119.758 120.570 -0.071 0.000 4.018 627 I HA 0.472 4.643 4.170 0.001 0.000 0.337 627 I C 0.481 176.573 176.117 -0.041 0.000 1.327 627 I CA -0.353 60.913 61.300 -0.057 0.000 1.100 627 I CB 0.529 38.468 38.000 -0.101 0.000 1.025 627 I HN 0.246 nan 8.210 nan 0.000 0.396 628 A N 0.000 122.794 122.820 -0.043 0.000 2.254 628 A HA 0.000 4.321 4.320 0.001 0.000 0.244 628 A CA 0.000 52.018 52.037 -0.031 0.000 0.836 628 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 628 A HN 0.000 nan 8.150 nan 0.000 0.486