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 2bma_1_C DATA FIRST_RESID -22 DATA SEQUENCE LKDKTGRFVV LDKNASNYES LVXDQEMNNV YERVMKLDPN QVEFLQAFHE DATA SEQUENCE ILYSLKPLFM EEPKYXXLPI IETLSEPERA IQFRVCWLDD NGVQRKNRCF DATA SEQUENCE RVQYNSALGP YKGGLRFHPS VNLSIVKFLG FEQIFKNSLT GLSMGGGKGG DATA SEQUENCE SDFDPKGKSD NEILKFCQAF MNELYRHIGP CTDVPAGDIG VGGREIGYLY DATA SEQUENCE GQYKKIVNSF NGTLTGKXNV KWGGSNLRVE ATGYGLVYFV LEVLKSLNIP DATA SEQUENCE VEKQTAVVSG SGNVALYCVQ KLLHLNVKVL TLSDSNGYVY EPNGFTHENL DATA SEQUENCE EFLIDLKEEK KGRIKEYLNH SSTAKYFPNE KPWGVPCTLA FPCATQNDVD DATA SEQUENCE LDQAKLLQKN GCILVGEGAN MPSTVDAINL FKSNXNIIYC PSKAANAGGV DATA SEQUENCE AISGLEMSQN FQFSHWTRET VDEKLKEIMR NIFIACSENL KYTKNKYDLQ DATA SEQUENCE AGANIAGFLK VAESYIEQGC F 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 -22 L HA 0.000 nan 4.340 nan 0.000 0.249 -22 L C 0.000 176.891 176.870 0.035 0.000 1.165 -22 L CA 0.000 54.854 54.840 0.024 0.000 0.813 -22 L CB 0.000 42.070 42.059 0.019 0.000 0.961 -21 K N 0.310 120.731 120.400 0.036 0.000 2.533 -21 K HA 0.331 4.651 4.320 -0.001 0.000 0.272 -21 K C -1.432 175.206 176.600 0.063 0.000 0.985 -21 K CA -0.642 55.679 56.287 0.056 0.000 0.876 -21 K CB 1.723 34.246 32.500 0.039 0.000 1.452 -21 K HN 0.071 nan 8.250 nan 0.000 0.439 -20 D N 0.644 121.108 120.400 0.106 0.000 2.414 -20 D HA 0.042 4.681 4.640 -0.001 0.000 0.259 -20 D C 0.372 176.722 176.300 0.083 0.000 1.269 -20 D CA -0.058 54.002 54.000 0.100 0.000 1.028 -20 D CB 0.586 41.482 40.800 0.160 0.000 1.093 -20 D HN 0.509 nan 8.370 nan 0.000 0.545 -19 K N -0.952 119.492 120.400 0.074 0.000 2.160 -19 K HA -0.139 4.180 4.320 -0.001 0.000 0.206 -19 K C 1.899 178.537 176.600 0.064 0.000 1.047 -19 K CA 1.525 57.847 56.287 0.060 0.000 0.930 -19 K CB -0.550 31.985 32.500 0.058 0.000 0.720 -19 K HN 0.358 nan 8.250 nan 0.000 0.450 -18 T N -0.165 114.446 114.554 0.097 0.000 3.023 -18 T HA 0.045 4.394 4.350 -0.001 0.000 0.266 -18 T C 1.206 175.920 174.700 0.023 0.000 1.093 -18 T CA 0.974 63.120 62.100 0.077 0.000 1.129 -18 T CB -0.149 68.807 68.868 0.147 0.000 0.899 -18 T HN 0.609 nan 8.240 nan 0.000 0.491 -17 G N 1.489 110.310 108.800 0.035 0.000 2.179 -17 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.257 -17 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.257 -17 G C 0.929 175.783 174.900 -0.076 0.000 1.010 -17 G CA 0.656 45.754 45.100 -0.004 0.000 0.736 -17 G HN 0.460 nan 8.290 nan 0.000 0.513 -16 R N -1.647 118.749 120.500 -0.174 0.000 2.279 -16 R HA 0.347 4.686 4.340 -0.001 0.000 0.195 -16 R C 0.314 176.246 176.300 -0.614 0.000 0.905 -16 R CA 0.387 56.212 56.100 -0.458 0.000 1.044 -16 R CB 0.313 30.177 30.300 -0.728 0.000 1.056 -16 R HN 0.383 nan 8.270 nan 0.000 0.535 -15 F N -0.338 119.633 119.950 0.035 0.000 2.523 -15 F HA 0.391 4.918 4.527 -0.001 0.000 0.329 -15 F C 0.087 175.898 175.800 0.019 0.000 1.061 -15 F CA -1.323 56.698 58.000 0.035 0.000 0.967 -15 F CB 1.208 40.234 39.000 0.044 0.000 1.218 -15 F HN -0.424 nan 8.300 nan 0.000 0.480 -14 V N 3.129 123.162 119.914 0.199 0.000 2.350 -14 V HA 0.302 4.421 4.120 -0.001 0.000 0.276 -14 V C -0.147 176.007 176.094 0.099 0.000 1.028 -14 V CA -0.799 61.568 62.300 0.112 0.000 0.860 -14 V CB 1.011 32.879 31.823 0.075 0.000 0.990 -14 V HN 0.519 nan 8.190 nan 0.000 0.453 -13 V N 6.106 126.067 119.914 0.078 0.000 2.649 -13 V HA 0.126 4.245 4.120 -0.001 0.000 0.292 -13 V C 1.114 177.244 176.094 0.061 0.000 1.055 -13 V CA -0.267 62.066 62.300 0.056 0.000 1.023 -13 V CB 1.441 33.284 31.823 0.033 0.000 0.992 -13 V HN 0.679 nan 8.190 nan 0.000 0.480 -12 L N 2.009 123.285 121.223 0.089 0.000 2.240 -12 L HA 0.179 4.518 4.340 -0.001 0.000 0.211 -12 L C 0.897 177.836 176.870 0.114 0.000 1.106 -12 L CA 1.341 56.263 54.840 0.137 0.000 0.793 -12 L CB -0.969 41.242 42.059 0.253 0.000 0.927 -12 L HN 1.052 nan 8.230 nan 0.000 0.446 -11 D N -0.512 119.896 120.400 0.014 0.000 3.453 -11 D HA -0.177 4.462 4.640 -0.001 0.000 0.216 -11 D C 0.671 176.760 176.300 -0.352 0.000 1.223 -11 D CA 0.212 54.161 54.000 -0.084 0.000 0.689 -11 D CB -0.518 40.276 40.800 -0.010 0.000 0.449 -11 D HN 0.254 nan 8.370 nan 0.000 0.193 -10 K N 2.258 122.338 120.400 -0.533 0.000 2.525 -10 K HA -0.016 4.303 4.320 -0.001 0.000 0.192 -10 K C 1.055 177.273 176.600 -0.636 0.000 1.029 -10 K CA 0.719 56.366 56.287 -1.066 0.000 1.029 -10 K CB 0.041 32.202 32.500 -0.565 0.000 0.814 -10 K HN 0.439 nan 8.250 nan 0.000 0.503 -9 N N -0.095 118.412 118.700 -0.322 0.000 2.599 -9 N HA 0.118 4.857 4.740 -0.001 0.000 0.309 -9 N C -1.083 174.392 175.510 -0.059 0.000 1.743 -9 N CA -0.409 52.554 53.050 -0.145 0.000 0.918 -9 N CB 1.138 39.569 38.487 -0.094 0.000 1.339 -9 N HN -0.044 nan 8.380 nan 0.000 0.493 -8 A N 0.309 123.117 122.820 -0.019 0.000 2.337 -8 A HA 0.575 4.894 4.320 -0.001 0.000 0.331 -8 A C 1.272 178.911 177.584 0.091 0.000 1.137 -8 A CA -0.242 51.823 52.037 0.047 0.000 0.807 -8 A CB 1.318 20.366 19.000 0.081 0.000 1.250 -8 A HN 0.339 nan 8.150 nan 0.000 0.468 -7 S N 1.684 117.426 115.700 0.071 0.000 2.351 -7 S HA -0.237 4.232 4.470 -0.001 0.000 0.220 -7 S C 1.437 176.094 174.600 0.094 0.000 1.035 -7 S CA 1.642 59.884 58.200 0.071 0.000 1.031 -7 S CB -0.884 62.344 63.200 0.046 0.000 0.928 -7 S HN 0.865 nan 8.310 nan 0.000 0.433 -6 N N 1.166 119.917 118.700 0.085 0.000 2.272 -6 N HA -0.233 4.506 4.740 -0.001 0.000 0.185 -6 N C 1.469 177.034 175.510 0.092 0.000 1.014 -6 N CA 1.491 54.584 53.050 0.072 0.000 0.870 -6 N CB -1.114 37.405 38.487 0.054 0.000 0.975 -6 N HN 0.531 nan 8.380 nan 0.000 0.433 -5 Y N 2.338 122.649 120.300 0.019 0.000 2.244 -5 Y HA -0.453 4.096 4.550 -0.001 0.000 0.217 -5 Y C 2.470 178.387 175.900 0.028 0.000 1.315 -5 Y CA 2.863 60.977 58.100 0.023 0.000 0.957 -5 Y CB -1.156 37.319 38.460 0.025 0.000 0.746 -5 Y HN 0.269 nan 8.280 nan 0.000 0.545 -4 E N -0.203 119.840 120.200 -0.261 0.000 2.284 -4 E HA -0.174 4.175 4.350 -0.001 0.000 0.200 -4 E C 2.049 178.523 176.600 -0.210 0.000 1.008 -4 E CA 1.840 58.056 56.400 -0.306 0.000 0.829 -4 E CB -0.469 29.174 29.700 -0.094 0.000 0.744 -4 E HN 0.553 nan 8.360 nan 0.000 0.491 -3 S N -0.518 115.107 115.700 -0.126 0.000 2.377 -3 S HA 0.031 4.500 4.470 -0.001 0.000 0.223 -3 S C 1.798 176.348 174.600 -0.082 0.000 1.030 -3 S CA 0.829 58.985 58.200 -0.073 0.000 0.970 -3 S CB -0.185 62.998 63.200 -0.029 0.000 0.830 -3 S HN 0.279 nan 8.310 nan 0.000 0.473 -2 L N 1.403 122.568 121.223 -0.097 0.000 2.083 -2 L HA -0.038 4.301 4.340 -0.001 0.000 0.209 -2 L C 1.209 178.012 176.870 -0.111 0.000 1.083 -2 L CA 0.460 55.260 54.840 -0.067 0.000 0.752 -2 L CB -0.865 41.191 42.059 -0.004 0.000 0.899 -2 L HN 0.121 nan 8.230 nan 0.000 0.433 2 Q N 1.650 121.447 119.800 -0.005 0.000 2.008 2 Q HA -0.041 4.298 4.340 -0.001 0.000 0.196 2 Q C 1.776 177.779 176.000 0.006 0.000 0.973 2 Q CA 1.970 57.780 55.803 0.010 0.000 0.826 2 Q CB -0.070 28.670 28.738 0.004 0.000 0.894 2 Q HN 0.038 nan 8.270 nan 0.000 0.439 3 E N -0.257 119.931 120.200 -0.020 0.000 2.171 3 E HA -0.186 4.163 4.350 -0.001 0.000 0.197 3 E C 1.781 178.345 176.600 -0.061 0.000 0.997 3 E CA 1.576 57.954 56.400 -0.035 0.000 0.810 3 E CB -0.169 29.497 29.700 -0.056 0.000 0.738 3 E HN 0.459 nan 8.360 nan 0.000 0.467 4 M N -0.207 119.344 119.600 -0.082 0.000 2.132 4 M HA -0.110 4.369 4.480 -0.001 0.000 0.263 4 M C 2.223 178.488 176.300 -0.057 0.000 1.065 4 M CA 1.158 56.367 55.300 -0.151 0.000 1.122 4 M CB -0.272 32.219 32.600 -0.182 0.000 1.365 4 M HN 0.132 nan 8.290 nan 0.000 0.411 5 N N 0.784 119.517 118.700 0.055 0.000 2.166 5 N HA -0.141 4.598 4.740 -0.001 0.000 0.186 5 N C 1.061 176.651 175.510 0.133 0.000 1.019 5 N CA 1.357 54.495 53.050 0.146 0.000 0.856 5 N CB -0.253 38.310 38.487 0.128 0.000 0.993 5 N HN 0.518 nan 8.380 nan 0.000 0.426 6 N N -0.339 118.403 118.700 0.071 0.000 2.188 6 N HA -0.080 4.659 4.740 -0.001 0.000 0.184 6 N C 1.761 177.311 175.510 0.067 0.000 1.018 6 N CA 0.615 53.700 53.050 0.059 0.000 0.858 6 N CB 0.170 38.675 38.487 0.029 0.000 0.989 6 N HN -0.020 nan 8.380 nan 0.000 0.426 7 V N 0.372 120.325 119.914 0.064 0.000 2.515 7 V HA -0.224 3.895 4.120 -0.001 0.000 0.250 7 V C 1.699 177.918 176.094 0.208 0.000 1.058 7 V CA 1.351 63.712 62.300 0.101 0.000 1.064 7 V CB -0.565 31.306 31.823 0.080 0.000 0.675 7 V HN 0.389 nan 8.190 nan 0.000 0.461 8 Y N 0.636 121.009 120.300 0.122 0.000 2.516 8 Y HA -0.029 4.520 4.550 -0.001 0.000 0.291 8 Y C 2.369 178.347 175.900 0.129 0.000 1.131 8 Y CA 0.819 59.043 58.100 0.207 0.000 1.281 8 Y CB 0.152 38.701 38.460 0.148 0.000 1.013 8 Y HN 0.266 nan 8.280 nan 0.000 0.554 9 E N 0.479 120.714 120.200 0.059 0.000 2.008 9 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 9 E C 2.239 178.793 176.600 -0.076 0.000 0.986 9 E CA 1.265 57.659 56.400 -0.010 0.000 0.807 9 E CB -0.401 29.326 29.700 0.045 0.000 0.766 9 E HN 0.472 nan 8.360 nan 0.000 0.450 10 R N 0.547 121.021 120.500 -0.043 0.000 2.081 10 R HA -0.080 4.259 4.340 -0.001 0.000 0.235 10 R C 2.535 178.773 176.300 -0.103 0.000 1.131 10 R CA 1.088 57.156 56.100 -0.053 0.000 0.960 10 R CB -0.527 29.758 30.300 -0.026 0.000 0.856 10 R HN 0.004 nan 8.270 nan 0.000 0.436 11 V N 1.428 121.251 119.914 -0.153 0.000 2.287 11 V HA -0.321 3.798 4.120 -0.001 0.000 0.248 11 V C 2.376 178.325 176.094 -0.241 0.000 1.053 11 V CA 2.027 64.179 62.300 -0.246 0.000 1.027 11 V CB -0.398 31.170 31.823 -0.424 0.000 0.646 11 V HN 0.383 nan 8.190 nan 0.000 0.447 12 M N -0.525 118.869 119.600 -0.344 0.000 2.099 12 M HA -0.202 4.277 4.480 -0.001 0.000 0.262 12 M C 2.270 178.487 176.300 -0.138 0.000 1.067 12 M CA 1.884 56.998 55.300 -0.308 0.000 1.124 12 M CB -0.209 32.129 32.600 -0.437 0.000 1.353 12 M HN 0.168 nan 8.290 nan 0.000 0.410 13 K N 0.218 120.554 120.400 -0.108 0.000 2.209 13 K HA -0.108 4.211 4.320 -0.001 0.000 0.204 13 K C 1.893 178.467 176.600 -0.043 0.000 1.048 13 K CA 0.969 57.222 56.287 -0.056 0.000 0.940 13 K CB -0.153 32.322 32.500 -0.041 0.000 0.729 13 K HN 0.423 nan 8.250 nan 0.000 0.451 14 L N 0.671 121.862 121.223 -0.053 0.000 2.044 14 L HA -0.128 4.212 4.340 -0.001 0.000 0.205 14 L C 0.367 177.226 176.870 -0.018 0.000 1.075 14 L CA 1.199 56.017 54.840 -0.036 0.000 0.747 14 L CB 0.184 42.216 42.059 -0.045 0.000 0.903 14 L HN 0.158 nan 8.230 nan 0.000 0.435 15 D N -1.192 119.209 120.400 0.001 0.000 2.634 15 D HA 0.166 4.805 4.640 -0.001 0.000 0.318 15 D C -1.836 174.484 176.300 0.034 0.000 1.226 15 D CA -1.178 52.846 54.000 0.041 0.000 0.899 15 D CB 0.983 41.867 40.800 0.140 0.000 1.025 15 D HN 0.063 nan 8.370 nan 0.000 0.501 16 P HA -0.150 nan 4.420 nan 0.000 0.217 16 P C 0.335 177.649 177.300 0.022 0.000 1.148 16 P CA 1.350 64.451 63.100 0.003 0.000 0.834 16 P CB 0.288 31.989 31.700 0.002 0.000 0.783 17 N N -2.326 116.397 118.700 0.037 0.000 2.238 17 N HA 0.074 4.813 4.740 -0.001 0.000 0.235 17 N C -0.344 175.206 175.510 0.067 0.000 1.209 17 N CA -0.092 52.985 53.050 0.045 0.000 0.879 17 N CB 0.052 38.559 38.487 0.035 0.000 1.136 17 N HN 0.143 nan 8.380 nan 0.000 0.517 18 Q N 0.980 120.843 119.800 0.104 0.000 2.678 18 Q HA 0.164 4.503 4.340 -0.001 0.000 0.222 18 Q C 0.721 176.814 176.000 0.154 0.000 1.281 18 Q CA -0.156 55.741 55.803 0.157 0.000 0.994 18 Q CB 0.942 29.840 28.738 0.267 0.000 1.452 18 Q HN 0.141 nan 8.270 nan 0.000 0.570 19 V N 2.035 122.005 119.914 0.092 0.000 2.220 19 V HA -0.332 3.787 4.120 -0.001 0.000 0.246 19 V C 1.620 177.734 176.094 0.033 0.000 1.049 19 V CA 2.153 64.484 62.300 0.053 0.000 1.003 19 V CB -0.215 31.622 31.823 0.024 0.000 0.634 19 V HN 0.622 nan 8.190 nan 0.000 0.444 20 E N -0.080 120.132 120.200 0.020 0.000 2.097 20 E HA -0.241 4.108 4.350 -0.001 0.000 0.196 20 E C 1.843 178.454 176.600 0.019 0.000 1.000 20 E CA 1.671 58.005 56.400 -0.110 0.000 0.804 20 E CB -0.550 29.079 29.700 -0.119 0.000 0.740 20 E HN 0.592 nan 8.360 nan 0.000 0.454 21 F N 1.068 121.076 119.950 0.097 0.000 2.046 21 F HA -0.152 4.374 4.527 -0.002 0.000 0.297 21 F C 1.803 177.720 175.800 0.195 0.000 1.123 21 F CA 1.422 59.536 58.000 0.191 0.000 1.199 21 F CB -0.549 38.530 39.000 0.132 0.000 0.972 21 F HN -0.042 nan 8.300 nan 0.000 0.474 22 L N -0.018 121.099 121.223 -0.176 0.000 2.187 22 L HA -0.259 4.080 4.340 -0.001 0.000 0.213 22 L C 2.605 179.538 176.870 0.105 0.000 1.100 22 L CA 1.678 56.445 54.840 -0.122 0.000 0.765 22 L CB -0.733 41.355 42.059 0.048 0.000 0.904 22 L HN 0.388 nan 8.230 nan 0.000 0.437 23 Q N -0.289 119.524 119.800 0.021 0.000 2.049 23 Q HA -0.161 4.178 4.340 -0.001 0.000 0.198 23 Q C 2.322 178.339 176.000 0.027 0.000 0.971 23 Q CA 1.432 57.224 55.803 -0.018 0.000 0.833 23 Q CB -0.009 28.660 28.738 -0.114 0.000 0.896 23 Q HN 0.517 nan 8.270 nan 0.000 0.434 24 A N 0.039 122.910 122.820 0.084 0.000 1.969 24 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 24 A C 1.737 179.480 177.584 0.266 0.000 1.169 24 A CA 0.926 53.108 52.037 0.241 0.000 0.635 24 A CB -0.670 18.674 19.000 0.573 0.000 0.810 24 A HN 0.573 nan 8.150 nan 0.000 0.445 25 F N 0.086 120.060 119.950 0.041 0.000 2.074 25 F HA -0.087 4.439 4.527 -0.002 0.000 0.293 25 F C 2.182 178.036 175.800 0.090 0.000 1.116 25 F CA 1.996 60.011 58.000 0.025 0.000 1.212 25 F CB -0.963 37.804 39.000 -0.387 0.000 0.998 25 F HN 0.482 nan 8.300 nan 0.000 0.471 26 H N -0.376 118.576 119.070 -0.198 0.000 2.353 26 H HA -0.189 4.366 4.556 -0.001 0.000 0.298 26 H C 2.319 177.483 175.328 -0.273 0.000 1.103 26 H CA 2.021 57.852 56.048 -0.362 0.000 1.293 26 H CB -0.214 29.309 29.762 -0.399 0.000 1.372 26 H HN 0.276 nan 8.280 nan 0.000 0.501 27 E N 0.619 120.867 120.200 0.079 0.000 2.051 27 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 27 E C 2.384 178.916 176.600 -0.113 0.000 0.991 27 E CA 1.505 57.926 56.400 0.034 0.000 0.799 27 E CB -0.129 29.579 29.700 0.014 0.000 0.748 27 E HN 0.643 nan 8.360 nan 0.000 0.449 28 I N 0.583 121.036 120.570 -0.195 0.000 2.286 28 I HA -0.251 3.918 4.170 -0.001 0.000 0.245 28 I C 2.556 178.410 176.117 -0.438 0.000 1.104 28 I CA 0.254 61.358 61.300 -0.326 0.000 1.397 28 I CB -0.265 37.510 38.000 -0.376 0.000 1.072 28 I HN 0.119 nan 8.210 nan 0.000 0.417 29 L N 0.843 121.717 121.223 -0.583 0.000 1.963 29 L HA -0.306 4.033 4.340 -0.001 0.000 0.220 29 L C 2.419 178.937 176.870 -0.587 0.000 1.076 29 L CA 2.244 56.669 54.840 -0.691 0.000 0.772 29 L CB -1.064 40.330 42.059 -1.108 0.000 0.892 29 L HN 0.174 nan 8.230 nan 0.000 0.435 30 Y N -1.144 118.918 120.300 -0.397 0.000 2.293 30 Y HA -0.187 4.362 4.550 -0.001 0.000 0.291 30 Y C 2.959 178.682 175.900 -0.294 0.000 1.137 30 Y CA 1.465 59.375 58.100 -0.317 0.000 1.202 30 Y CB -0.463 37.796 38.460 -0.334 0.000 0.990 30 Y HN 0.362 nan 8.280 nan 0.000 0.537 31 S N 0.014 115.601 115.700 -0.188 0.000 2.442 31 S HA -0.110 4.359 4.470 -0.001 0.000 0.236 31 S C 1.574 175.965 174.600 -0.349 0.000 1.007 31 S CA 0.869 58.938 58.200 -0.219 0.000 0.965 31 S CB -0.382 62.691 63.200 -0.213 0.000 0.773 31 S HN 0.469 nan 8.310 nan 0.000 0.504 32 L N 0.902 121.799 121.223 -0.542 0.000 2.591 32 L HA 0.208 4.547 4.340 -0.001 0.000 0.228 32 L C 2.220 178.425 176.870 -1.108 0.000 1.133 32 L CA 0.200 54.509 54.840 -0.884 0.000 0.880 32 L CB -0.258 41.067 42.059 -1.223 0.000 1.033 32 L HN 0.285 nan 8.230 nan 0.000 0.450 33 K N 1.278 121.302 120.400 -0.627 0.000 2.160 33 K HA -0.180 4.139 4.320 -0.001 0.000 0.206 33 K C -0.625 175.827 176.600 -0.247 0.000 1.047 33 K CA 1.387 57.475 56.287 -0.333 0.000 0.930 33 K CB -0.488 31.968 32.500 -0.073 0.000 0.720 33 K HN 0.199 nan 8.250 nan 0.000 0.450 34 P HA -0.159 nan 4.420 nan 0.000 0.217 34 P C 1.182 178.435 177.300 -0.078 0.000 1.150 34 P CA 0.880 63.932 63.100 -0.080 0.000 0.832 34 P CB 0.063 31.731 31.700 -0.052 0.000 0.787 35 L N -1.920 119.043 121.223 -0.434 0.000 2.156 35 L HA 0.016 4.355 4.340 -0.001 0.000 0.208 35 L C 2.085 178.929 176.870 -0.042 0.000 1.095 35 L CA 1.535 56.081 54.840 -0.490 0.000 0.770 35 L CB -1.060 40.560 42.059 -0.732 0.000 0.914 35 L HN -0.120 nan 8.230 nan 0.000 0.439 36 F N -1.737 118.202 119.950 -0.018 0.000 2.163 36 F HA -0.213 4.313 4.527 -0.001 0.000 0.297 36 F C 2.334 178.211 175.800 0.128 0.000 1.094 36 F CA 0.252 58.285 58.000 0.054 0.000 1.290 36 F CB -0.352 38.630 39.000 -0.029 0.000 1.017 36 F HN 0.043 nan 8.300 nan 0.000 0.483 37 M N 0.338 120.105 119.600 0.279 0.000 2.113 37 M HA -0.257 4.223 4.480 -0.001 0.000 0.255 37 M C 2.072 178.583 176.300 0.351 0.000 1.073 37 M CA 1.800 57.277 55.300 0.296 0.000 1.091 37 M CB -1.126 31.593 32.600 0.200 0.000 1.309 37 M HN 0.143 nan 8.290 nan 0.000 0.407 38 E N -0.021 120.357 120.200 0.296 0.000 2.033 38 E HA -0.029 4.320 4.350 -0.001 0.000 0.189 38 E C 0.342 177.068 176.600 0.211 0.000 0.979 38 E CA 0.765 57.316 56.400 0.251 0.000 0.802 38 E CB 0.041 29.933 29.700 0.319 0.000 0.763 38 E HN 0.441 nan 8.360 nan 0.000 0.449 39 E N 0.699 121.053 120.200 0.255 0.000 2.183 39 E HA 0.202 4.551 4.350 -0.001 0.000 0.250 39 E C -2.110 174.587 176.600 0.162 0.000 0.901 39 E CA -1.955 54.529 56.400 0.140 0.000 0.741 39 E CB 1.562 31.329 29.700 0.110 0.000 1.182 39 E HN -0.014 nan 8.360 nan 0.000 0.425 40 P HA -0.061 nan 4.420 nan 0.000 0.245 40 P C 1.229 178.509 177.300 -0.033 0.000 1.206 40 P CA 0.620 63.781 63.100 0.101 0.000 0.781 40 P CB 0.279 32.081 31.700 0.171 0.000 0.994 41 K N -1.178 119.136 120.400 -0.143 0.000 2.209 41 K HA -0.141 4.178 4.320 -0.001 0.000 0.204 41 K C 0.524 176.977 176.600 -0.245 0.000 1.048 41 K CA 0.804 56.960 56.287 -0.219 0.000 0.940 41 K CB -0.751 31.542 32.500 -0.344 0.000 0.729 41 K HN 0.150 nan 8.250 nan 0.000 0.451 46 P HA -0.090 nan 4.420 nan 0.000 0.216 46 P C 1.626 179.014 177.300 0.148 0.000 1.150 46 P CA 1.567 64.733 63.100 0.110 0.000 0.837 46 P CB 0.193 32.038 31.700 0.242 0.000 0.786 47 I N -1.092 119.541 120.570 0.105 0.000 2.133 47 I HA -0.216 3.953 4.170 -0.001 0.000 0.238 47 I C 2.405 178.657 176.117 0.225 0.000 1.074 47 I CA 1.332 62.703 61.300 0.118 0.000 1.342 47 I CB -0.623 37.451 38.000 0.123 0.000 1.053 47 I HN -0.130 nan 8.210 nan 0.000 0.404 48 I N 0.808 121.631 120.570 0.423 0.000 2.315 48 I HA -0.350 3.819 4.170 -0.001 0.000 0.251 48 I C 2.544 178.919 176.117 0.430 0.000 1.125 48 I CA 1.653 63.297 61.300 0.573 0.000 1.392 48 I CB -0.141 38.142 38.000 0.471 0.000 1.065 48 I HN 0.348 nan 8.210 nan 0.000 0.424 49 E N -0.221 120.134 120.200 0.259 0.000 2.110 49 E HA -0.216 4.133 4.350 -0.001 0.000 0.193 49 E C 1.920 178.570 176.600 0.083 0.000 0.988 49 E CA 1.873 58.363 56.400 0.150 0.000 0.804 49 E CB 0.075 29.832 29.700 0.095 0.000 0.745 49 E HN 0.501 nan 8.360 nan 0.000 0.458 50 T N 1.093 115.704 114.554 0.095 0.000 2.896 50 T HA -0.018 4.331 4.350 -0.001 0.000 0.263 50 T C 1.804 176.521 174.700 0.029 0.000 1.050 50 T CA 0.556 62.680 62.100 0.040 0.000 1.140 50 T CB -0.009 68.874 68.868 0.025 0.000 0.877 50 T HN 0.150 nan 8.240 nan 0.000 0.457 51 L N 1.926 123.197 121.223 0.080 0.000 2.465 51 L HA 0.025 4.364 4.340 -0.001 0.000 0.224 51 L C 2.655 179.816 176.870 0.484 0.000 1.145 51 L CA 0.745 55.705 54.840 0.199 0.000 0.834 51 L CB -0.701 41.478 42.059 0.200 0.000 0.944 51 L HN 0.346 nan 8.230 nan 0.000 0.451 52 S N -0.927 114.963 115.700 0.315 0.000 2.515 52 S HA -0.132 4.337 4.470 -0.001 0.000 0.231 52 S C 0.792 175.501 174.600 0.181 0.000 0.987 52 S CA 0.170 58.395 58.200 0.042 0.000 0.936 52 S CB -0.182 62.751 63.200 -0.446 0.000 0.766 52 S HN 0.398 nan 8.310 nan 0.000 0.528 53 E N 2.675 122.959 120.200 0.141 0.000 2.109 53 E HA 0.451 4.801 4.350 -0.001 0.000 0.278 53 E C -2.909 173.640 176.600 -0.086 0.000 0.954 53 E CA -2.858 53.531 56.400 -0.019 0.000 0.779 53 E CB 0.938 30.613 29.700 -0.041 0.000 1.093 53 E HN 0.126 nan 8.360 nan 0.000 0.401 54 P HA -0.057 nan 4.420 nan 0.000 0.264 54 P C -0.190 176.959 177.300 -0.252 0.000 1.183 54 P CA 0.366 63.049 63.100 -0.694 0.000 0.763 54 P CB 0.667 31.841 31.700 -0.877 0.000 0.807 55 E N 1.687 121.824 120.200 -0.106 0.000 2.153 55 E HA -0.138 4.211 4.350 -0.001 0.000 0.194 55 E C 0.735 177.316 176.600 -0.033 0.000 0.988 55 E CA 1.050 57.469 56.400 0.032 0.000 0.811 55 E CB 0.129 29.966 29.700 0.227 0.000 0.746 55 E HN 0.314 nan 8.360 nan 0.000 0.466 56 R N -1.106 119.301 120.500 -0.154 0.000 2.561 56 R HA 0.474 4.813 4.340 -0.001 0.000 0.266 56 R C -2.080 174.082 176.300 -0.229 0.000 1.091 56 R CA -0.225 55.782 56.100 -0.155 0.000 0.927 56 R CB 1.857 32.086 30.300 -0.118 0.000 1.240 56 R HN -0.014 nan 8.270 nan 0.000 0.449 57 A N 5.498 128.212 122.820 -0.176 0.000 2.745 57 A HA 0.434 4.753 4.320 -0.001 0.000 0.301 57 A C -0.940 176.595 177.584 -0.082 0.000 1.188 57 A CA -0.565 51.380 52.037 -0.153 0.000 0.746 57 A CB 0.289 19.182 19.000 -0.178 0.000 1.207 57 A HN 0.580 nan 8.150 nan 0.000 0.432 58 I N 1.593 122.107 120.570 -0.093 0.000 2.352 58 I HA 0.324 4.493 4.170 -0.001 0.000 0.290 58 I C 0.455 176.617 176.117 0.076 0.000 1.036 58 I CA 0.069 61.314 61.300 -0.092 0.000 1.336 58 I CB 1.369 39.142 38.000 -0.378 0.000 1.407 58 I HN 0.727 nan 8.210 nan 0.000 0.497 59 Q N 7.563 127.399 119.800 0.061 0.000 2.312 59 Q HA 0.700 5.039 4.340 -0.001 0.000 0.263 59 Q C -1.571 174.431 176.000 0.004 0.000 0.995 59 Q CA -0.699 55.062 55.803 -0.070 0.000 0.853 59 Q CB 1.819 30.532 28.738 -0.042 0.000 1.300 59 Q HN 0.600 nan 8.270 nan 0.000 0.448 60 F N -0.182 119.590 119.950 -0.296 0.000 2.641 60 F HA 0.559 5.085 4.527 -0.001 0.000 0.308 60 F C -1.296 174.395 175.800 -0.182 0.000 1.105 60 F CA -1.269 56.607 58.000 -0.206 0.000 0.964 60 F CB 1.162 40.046 39.000 -0.193 0.000 1.294 60 F HN 0.471 nan 8.300 nan 0.000 0.442 61 R N 1.801 122.333 120.500 0.054 0.000 2.459 61 R HA 0.811 5.150 4.340 -0.001 0.000 0.281 61 R C -1.841 174.538 176.300 0.132 0.000 1.050 61 R CA -0.574 55.537 56.100 0.020 0.000 1.055 61 R CB 1.571 31.892 30.300 0.035 0.000 1.045 61 R HN 0.761 nan 8.270 nan 0.000 0.495 62 V N 3.886 123.876 119.914 0.127 0.000 2.668 62 V HA 0.305 4.424 4.120 -0.001 0.000 0.304 62 V C -0.934 175.324 176.094 0.274 0.000 1.071 62 V CA -0.736 61.679 62.300 0.192 0.000 0.894 62 V CB 1.890 33.811 31.823 0.164 0.000 1.008 62 V HN 0.880 nan 8.190 nan 0.000 0.425 63 C N 6.438 125.877 119.300 0.232 0.000 2.379 63 C HA 0.833 5.292 4.460 -0.001 0.000 0.323 63 C C -0.758 174.405 174.990 0.288 0.000 1.262 63 C CA -0.774 58.367 59.018 0.205 0.000 1.581 63 C CB 0.874 28.659 27.740 0.075 0.000 2.221 63 C HN 0.936 nan 8.230 nan 0.000 0.497 64 W N 3.129 124.479 121.300 0.082 0.000 3.033 64 W HA 0.682 5.341 4.660 -0.002 0.000 0.336 64 W C -1.911 174.654 176.519 0.076 0.000 1.173 64 W CA -1.641 55.749 57.345 0.076 0.000 1.185 64 W CB 0.156 29.686 29.460 0.116 0.000 1.425 64 W HN 0.368 nan 8.180 nan 0.000 0.536 65 L N 3.766 125.083 121.223 0.156 0.000 2.349 65 L HA 0.116 4.456 4.340 -0.001 0.000 0.275 65 L C 0.916 177.845 176.870 0.100 0.000 1.115 65 L CA -0.157 54.695 54.840 0.020 0.000 0.820 65 L CB 0.398 42.495 42.059 0.062 0.000 1.135 65 L HN 0.419 nan 8.230 nan 0.000 0.445 66 D N 0.592 120.943 120.400 -0.081 0.000 2.478 66 D HA 0.029 4.668 4.640 -0.001 0.000 0.274 66 D C 0.370 176.745 176.300 0.124 0.000 1.234 66 D CA -0.488 53.551 54.000 0.065 0.000 1.069 66 D CB 0.599 41.340 40.800 -0.099 0.000 1.113 66 D HN 0.336 nan 8.370 nan 0.000 0.571 67 D N -1.163 119.328 120.400 0.151 0.000 2.219 67 D HA -0.096 4.544 4.640 -0.001 0.000 0.205 67 D C 1.016 177.355 176.300 0.065 0.000 0.970 67 D CA 0.845 54.913 54.000 0.113 0.000 0.851 67 D CB -0.375 40.496 40.800 0.119 0.000 0.943 67 D HN 0.481 nan 8.370 nan 0.000 0.488 68 N N -0.450 118.275 118.700 0.043 0.000 2.521 68 N HA 0.085 4.824 4.740 -0.001 0.000 0.188 68 N C 1.188 176.703 175.510 0.009 0.000 1.146 68 N CA 0.428 53.491 53.050 0.021 0.000 0.893 68 N CB 0.604 39.096 38.487 0.009 0.000 0.975 68 N HN 0.153 nan 8.380 nan 0.000 0.451 69 G N 0.123 108.928 108.800 0.009 0.000 2.195 69 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.246 69 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.246 69 G C 0.141 175.022 174.900 -0.031 0.000 0.984 69 G CA -0.099 45.001 45.100 -0.001 0.000 0.633 69 G HN 0.141 nan 8.290 nan 0.000 0.525 70 V N 1.716 121.597 119.914 -0.056 0.000 2.637 70 V HA 0.348 4.467 4.120 -0.001 0.000 0.296 70 V C 0.968 176.968 176.094 -0.157 0.000 1.046 70 V CA 0.219 62.465 62.300 -0.091 0.000 1.066 70 V CB 1.685 33.451 31.823 -0.095 0.000 0.968 70 V HN 0.524 nan 8.190 nan 0.000 0.483 71 Q N 5.078 124.793 119.800 -0.142 0.000 2.296 71 Q HA 0.255 4.594 4.340 -0.001 0.000 0.262 71 Q C -0.473 175.360 176.000 -0.279 0.000 0.981 71 Q CA -0.454 55.239 55.803 -0.184 0.000 0.905 71 Q CB 0.512 29.189 28.738 -0.102 0.000 1.186 71 Q HN 0.593 nan 8.270 nan 0.000 0.399 72 R N 3.060 123.255 120.500 -0.509 0.000 2.828 72 R HA 0.539 4.879 4.340 -0.001 0.000 0.264 72 R C -0.716 175.366 176.300 -0.362 0.000 1.022 72 R CA -0.703 55.034 56.100 -0.604 0.000 1.021 72 R CB 1.460 30.984 30.300 -1.294 0.000 1.163 72 R HN 0.611 nan 8.270 nan 0.000 0.494 73 K N 1.278 121.613 120.400 -0.109 0.000 2.435 73 K HA 0.458 4.777 4.320 -0.001 0.000 0.251 73 K C -1.305 175.438 176.600 0.238 0.000 0.954 73 K CA -0.545 55.797 56.287 0.092 0.000 0.820 73 K CB 1.923 34.448 32.500 0.042 0.000 1.292 73 K HN 0.633 nan 8.250 nan 0.000 0.436 74 N N 0.613 119.477 118.700 0.273 0.000 2.504 74 N HA 0.230 4.969 4.740 -0.001 0.000 0.268 74 N C -1.804 173.753 175.510 0.079 0.000 1.184 74 N CA -0.782 52.415 53.050 0.245 0.000 0.875 74 N CB 2.177 40.916 38.487 0.422 0.000 1.630 74 N HN 0.475 nan 8.380 nan 0.000 0.486 75 R N 1.271 121.758 120.500 -0.023 0.000 2.410 75 R HA 0.699 5.038 4.340 -0.001 0.000 0.288 75 R C -1.090 174.929 176.300 -0.469 0.000 1.051 75 R CA -0.164 55.778 56.100 -0.262 0.000 1.021 75 R CB 0.353 30.530 30.300 -0.205 0.000 1.032 75 R HN 0.634 nan 8.270 nan 0.000 0.481 76 C N 3.076 121.778 119.300 -0.997 0.000 2.971 76 C HA 0.715 5.174 4.460 -0.001 0.000 0.310 76 C C -1.240 172.872 174.990 -1.463 0.000 1.285 76 C CA -0.715 57.612 59.018 -1.152 0.000 1.593 76 C CB 1.274 27.945 27.740 -1.783 0.000 2.076 76 C HN 0.803 nan 8.230 nan 0.000 0.472 77 F N 0.189 120.004 119.950 -0.226 0.000 2.662 77 F HA 0.753 5.279 4.527 -0.002 0.000 0.312 77 F C -0.063 175.863 175.800 0.209 0.000 1.113 77 F CA -0.739 57.268 58.000 0.011 0.000 0.951 77 F CB 1.464 40.491 39.000 0.046 0.000 1.344 77 F HN 0.334 nan 8.300 nan 0.000 0.462 78 R N 1.368 122.077 120.500 0.349 0.000 3.130 78 R HA 0.465 4.805 4.340 -0.001 0.000 0.261 78 R C -2.414 173.920 176.300 0.057 0.000 1.683 78 R CA -0.239 55.987 56.100 0.211 0.000 1.095 78 R CB 0.942 31.337 30.300 0.157 0.000 1.421 78 R HN 0.461 nan 8.270 nan 0.000 0.454 79 V N 5.561 125.497 119.914 0.036 0.000 2.353 79 V HA 0.290 4.410 4.120 -0.001 0.000 0.264 79 V C 0.178 176.169 176.094 -0.171 0.000 1.049 79 V CA -0.246 61.996 62.300 -0.098 0.000 0.896 79 V CB 1.289 33.060 31.823 -0.086 0.000 1.025 79 V HN 0.561 nan 8.190 nan 0.000 0.475 80 Q N 4.338 123.911 119.800 -0.378 0.000 2.441 80 Q HA 0.239 4.578 4.340 -0.001 0.000 0.234 80 Q C 0.034 175.698 176.000 -0.560 0.000 1.078 80 Q CA -0.178 55.137 55.803 -0.814 0.000 0.907 80 Q CB 0.801 28.691 28.738 -1.413 0.000 1.269 80 Q HN 0.794 nan 8.270 nan 0.000 0.502 81 Y N 1.884 122.079 120.300 -0.175 0.000 2.153 81 Y HA -0.081 4.468 4.550 -0.001 0.000 0.289 81 Y C 1.023 177.035 175.900 0.187 0.000 1.127 81 Y CA 0.951 59.078 58.100 0.044 0.000 1.131 81 Y CB 0.689 39.217 38.460 0.112 0.000 0.995 81 Y HN 0.532 nan 8.280 nan 0.000 0.505 82 N N -1.081 117.944 118.700 0.541 0.000 2.367 82 N HA 0.086 4.826 4.740 -0.001 0.000 0.278 82 N C -1.408 174.337 175.510 0.390 0.000 1.117 82 N CA 0.320 53.634 53.050 0.440 0.000 0.867 82 N CB 1.849 40.458 38.487 0.204 0.000 1.649 82 N HN 0.016 nan 8.380 nan 0.000 0.479 83 S N 1.202 117.059 115.700 0.261 0.000 2.740 83 S HA 0.430 4.899 4.470 -0.001 0.000 0.244 83 S C 0.751 175.378 174.600 0.044 0.000 1.101 83 S CA -0.077 58.084 58.200 -0.064 0.000 1.123 83 S CB 0.419 63.355 63.200 -0.440 0.000 1.012 83 S HN 0.605 nan 8.310 nan 0.000 0.491 84 A N 1.835 124.732 122.820 0.129 0.000 1.878 84 A HA 0.367 4.686 4.320 -0.001 0.000 0.213 84 A C 1.762 179.370 177.584 0.041 0.000 1.192 84 A CA 0.675 52.799 52.037 0.145 0.000 0.619 84 A CB -0.534 18.583 19.000 0.195 0.000 0.837 84 A HN 0.605 nan 8.150 nan 0.000 0.446 85 L N -1.246 119.982 121.223 0.008 0.000 2.591 85 L HA 0.387 4.726 4.340 -0.001 0.000 0.228 85 L C 1.093 177.953 176.870 -0.016 0.000 1.133 85 L CA 0.309 55.145 54.840 -0.007 0.000 0.880 85 L CB -0.482 41.567 42.059 -0.017 0.000 1.033 85 L HN 0.547 nan 8.230 nan 0.000 0.450 86 G N -1.020 107.756 108.800 -0.040 0.000 2.327 86 G HA2 0.192 4.151 3.960 -0.001 0.000 0.291 86 G HA3 0.192 4.151 3.960 -0.001 0.000 0.291 86 G C -3.140 171.689 174.900 -0.117 0.000 1.290 86 G CA -0.883 44.187 45.100 -0.050 0.000 0.857 86 G HN -0.311 nan 8.290 nan 0.000 0.520 87 P HA 0.312 nan 4.420 nan 0.000 0.271 87 P C -0.706 176.509 177.300 -0.142 0.000 1.233 87 P CA -0.064 62.937 63.100 -0.166 0.000 0.789 87 P CB 0.136 31.827 31.700 -0.014 0.000 0.951 88 Y N 0.231 120.571 120.300 0.066 0.000 2.442 88 Y HA 0.185 4.734 4.550 -0.002 0.000 0.330 88 Y C 1.174 177.104 175.900 0.049 0.000 1.129 88 Y CA 0.378 58.518 58.100 0.066 0.000 1.365 88 Y CB 0.329 38.838 38.460 0.082 0.000 1.233 88 Y HN -0.007 nan 8.280 nan 0.000 0.529 89 K N 2.184 122.695 120.400 0.186 0.000 2.378 89 K HA 0.772 5.091 4.320 -0.001 0.000 0.252 89 K C -0.433 176.220 176.600 0.088 0.000 0.931 89 K CA -0.764 55.582 56.287 0.098 0.000 0.794 89 K CB 1.951 34.475 32.500 0.040 0.000 1.181 89 K HN 0.910 nan 8.250 nan 0.000 0.425 90 G N 0.649 109.489 108.800 0.066 0.000 2.405 90 G HA2 0.371 4.330 3.960 -0.001 0.000 0.303 90 G HA3 0.371 4.330 3.960 -0.001 0.000 0.303 90 G C -0.405 174.524 174.900 0.049 0.000 1.644 90 G CA -0.455 44.677 45.100 0.054 0.000 0.899 90 G HN 0.602 nan 8.290 nan 0.000 0.667 91 G N -0.810 108.002 108.800 0.021 0.000 2.653 91 G HA2 0.612 4.571 3.960 -0.001 0.000 0.265 91 G HA3 0.612 4.571 3.960 -0.001 0.000 0.265 91 G C -0.019 174.908 174.900 0.045 0.000 1.237 91 G CA -0.645 44.459 45.100 0.007 0.000 0.946 91 G HN 0.776 nan 8.290 nan 0.000 0.522 92 L N -0.552 120.677 121.223 0.009 0.000 2.342 92 L HA 0.647 4.986 4.340 -0.001 0.000 0.271 92 L C 0.217 177.059 176.870 -0.045 0.000 1.008 92 L CA -0.891 53.983 54.840 0.056 0.000 0.818 92 L CB 2.206 44.278 42.059 0.023 0.000 1.296 92 L HN 0.543 nan 8.230 nan 0.000 0.427 93 R N 2.203 122.774 120.500 0.118 0.000 2.575 93 R HA 0.503 4.843 4.340 -0.001 0.000 0.293 93 R C -1.844 174.739 176.300 0.471 0.000 0.983 93 R CA -0.401 55.772 56.100 0.122 0.000 0.887 93 R CB 1.337 31.701 30.300 0.107 0.000 1.184 93 R HN 0.551 nan 8.270 nan 0.000 0.445 94 F N 4.489 124.515 119.950 0.127 0.000 2.359 94 F HA 0.314 4.840 4.527 -0.002 0.000 0.370 94 F C -0.321 175.588 175.800 0.182 0.000 1.077 94 F CA -0.978 57.121 58.000 0.165 0.000 1.136 94 F CB 1.077 40.190 39.000 0.188 0.000 1.387 94 F HN 0.510 nan 8.300 nan 0.000 0.468 95 H N 3.050 122.242 119.070 0.203 0.000 2.771 95 H HA 0.305 4.860 4.556 -0.002 0.000 0.361 95 H C -2.154 173.215 175.328 0.069 0.000 1.108 95 H CA -2.195 53.908 56.048 0.093 0.000 1.201 95 H CB 2.543 32.364 29.762 0.099 0.000 1.681 95 H HN 0.059 nan 8.280 nan 0.000 0.534 96 P HA -0.162 nan 4.420 nan 0.000 0.222 96 P C 0.912 178.225 177.300 0.021 0.000 1.142 96 P CA 1.687 64.743 63.100 -0.075 0.000 0.788 96 P CB 0.324 31.928 31.700 -0.159 0.000 0.767 97 S N -2.232 113.510 115.700 0.069 0.000 2.470 97 S HA 0.011 4.480 4.470 -0.001 0.000 0.225 97 S C 0.948 175.648 174.600 0.168 0.000 1.006 97 S CA -0.030 58.252 58.200 0.136 0.000 0.934 97 S CB -1.254 62.074 63.200 0.213 0.000 0.778 97 S HN -0.116 nan 8.310 nan 0.000 0.517 98 V N 4.562 124.604 119.914 0.213 0.000 2.814 98 V HA 0.154 4.273 4.120 -0.001 0.000 0.307 98 V C 0.459 176.658 176.094 0.176 0.000 1.089 98 V CA 0.560 62.983 62.300 0.205 0.000 1.212 98 V CB -0.681 31.313 31.823 0.286 0.000 0.912 98 V HN 0.858 nan 8.190 nan 0.000 0.497 99 N N 2.542 121.246 118.700 0.006 0.000 3.261 99 N HA 0.221 4.960 4.740 -0.001 0.000 0.248 99 N C 0.239 175.380 175.510 -0.614 0.000 1.498 99 N CA -1.019 51.940 53.050 -0.152 0.000 0.884 99 N CB 1.298 39.797 38.487 0.020 0.000 1.428 99 N HN 0.282 nan 8.380 nan 0.000 0.517 100 L N 1.226 122.063 121.223 -0.645 0.000 2.017 100 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 100 L C 2.599 179.309 176.870 -0.266 0.000 1.073 100 L CA 2.131 56.621 54.840 -0.585 0.000 0.745 100 L CB -0.875 41.026 42.059 -0.263 0.000 0.894 100 L HN 0.823 nan 8.230 nan 0.000 0.432 101 S N -0.745 114.894 115.700 -0.101 0.000 2.353 101 S HA -0.195 4.274 4.470 -0.001 0.000 0.222 101 S C 2.066 176.764 174.600 0.164 0.000 1.035 101 S CA 1.808 60.043 58.200 0.058 0.000 1.025 101 S CB -0.397 62.865 63.200 0.103 0.000 0.902 101 S HN 0.457 nan 8.310 nan 0.000 0.440 102 I N 0.945 121.592 120.570 0.129 0.000 2.179 102 I HA -0.145 4.024 4.170 -0.001 0.000 0.242 102 I C 2.294 178.516 176.117 0.175 0.000 1.088 102 I CA 1.078 62.534 61.300 0.260 0.000 1.357 102 I CB -0.415 37.699 38.000 0.190 0.000 1.051 102 I HN 0.202 nan 8.210 nan 0.000 0.409 103 V N 0.941 120.845 119.914 -0.016 0.000 2.332 103 V HA -0.311 3.808 4.120 -0.001 0.000 0.248 103 V C 2.403 178.525 176.094 0.047 0.000 1.055 103 V CA 1.874 64.151 62.300 -0.038 0.000 1.038 103 V CB -0.724 30.982 31.823 -0.194 0.000 0.651 103 V HN 0.399 nan 8.190 nan 0.000 0.450 104 K N -0.500 119.927 120.400 0.045 0.000 2.057 104 K HA -0.176 4.143 4.320 -0.001 0.000 0.207 104 K C 2.128 178.976 176.600 0.413 0.000 1.049 104 K CA 1.818 58.200 56.287 0.158 0.000 0.931 104 K CB -0.398 31.949 32.500 -0.256 0.000 0.714 104 K HN 0.520 nan 8.250 nan 0.000 0.440 105 F N 1.935 122.085 119.950 0.334 0.000 2.075 105 F HA -0.154 4.373 4.527 -0.002 0.000 0.297 105 F C 1.678 177.664 175.800 0.308 0.000 1.113 105 F CA 1.332 59.574 58.000 0.402 0.000 1.218 105 F CB -0.652 38.526 39.000 0.295 0.000 0.984 105 F HN -0.143 nan 8.300 nan 0.000 0.472 106 L N 0.517 121.411 121.223 -0.549 0.000 2.093 106 L HA -0.050 4.289 4.340 -0.001 0.000 0.208 106 L C 2.878 179.656 176.870 -0.154 0.000 1.085 106 L CA 1.384 55.862 54.840 -0.603 0.000 0.755 106 L CB -1.478 40.352 42.059 -0.382 0.000 0.904 106 L HN 0.408 nan 8.230 nan 0.000 0.435 107 G N -0.692 108.135 108.800 0.045 0.000 2.404 107 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.215 107 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.215 107 G C 1.462 176.415 174.900 0.088 0.000 1.174 107 G CA 0.376 45.580 45.100 0.172 0.000 0.780 107 G HN 0.208 nan 8.290 nan 0.000 0.537 108 F N 2.154 121.990 119.950 -0.190 0.000 2.065 108 F HA -0.099 4.427 4.527 -0.002 0.000 0.298 108 F C 2.768 178.595 175.800 0.045 0.000 1.112 108 F CA 1.978 59.716 58.000 -0.438 0.000 1.212 108 F CB -0.424 38.566 39.000 -0.016 0.000 0.975 108 F HN 0.275 nan 8.300 nan 0.000 0.476 109 E N -0.580 119.731 120.200 0.185 0.000 2.118 109 E HA -0.266 4.083 4.350 -0.001 0.000 0.195 109 E C 2.139 178.787 176.600 0.081 0.000 0.992 109 E CA 1.072 57.582 56.400 0.184 0.000 0.804 109 E CB -0.443 29.327 29.700 0.118 0.000 0.741 109 E HN 0.506 nan 8.360 nan 0.000 0.458 110 Q N 0.691 120.480 119.800 -0.019 0.000 2.173 110 Q HA -0.192 4.147 4.340 -0.001 0.000 0.208 110 Q C 2.298 178.231 176.000 -0.112 0.000 0.989 110 Q CA 1.095 56.873 55.803 -0.042 0.000 0.872 110 Q CB -0.371 28.358 28.738 -0.014 0.000 0.909 110 Q HN 0.425 nan 8.270 nan 0.000 0.420 111 I N 0.048 120.446 120.570 -0.287 0.000 2.043 111 I HA -0.350 3.819 4.170 -0.001 0.000 0.231 111 I C 2.150 177.981 176.117 -0.478 0.000 1.024 111 I CA 1.792 62.781 61.300 -0.518 0.000 1.309 111 I CB -0.853 36.495 38.000 -1.086 0.000 1.030 111 I HN 0.084 nan 8.210 nan 0.000 0.389 112 F N 0.950 120.797 119.950 -0.172 0.000 2.087 112 F HA -0.286 4.240 4.527 -0.002 0.000 0.299 112 F C 2.596 178.343 175.800 -0.090 0.000 1.100 112 F CA 1.851 59.774 58.000 -0.129 0.000 1.226 112 F CB -0.976 37.935 39.000 -0.150 0.000 0.983 112 F HN 0.054 nan 8.300 nan 0.000 0.479 113 K N 0.881 121.336 120.400 0.093 0.000 2.063 113 K HA -0.224 4.095 4.320 -0.001 0.000 0.208 113 K C 1.649 178.246 176.600 -0.005 0.000 1.048 113 K CA 2.024 58.330 56.287 0.032 0.000 0.928 113 K CB -0.452 32.058 32.500 0.017 0.000 0.713 113 K HN 0.405 nan 8.250 nan 0.000 0.442 114 N N 0.012 118.694 118.700 -0.030 0.000 2.512 114 N HA -0.090 4.649 4.740 -0.001 0.000 0.183 114 N C 1.549 177.041 175.510 -0.030 0.000 1.073 114 N CA 0.367 53.398 53.050 -0.031 0.000 0.911 114 N CB 0.115 38.581 38.487 -0.035 0.000 0.964 114 N HN 0.160 nan 8.380 nan 0.000 0.447 115 S N 0.916 116.592 115.700 -0.040 0.000 2.395 115 S HA 0.099 4.568 4.470 -0.001 0.000 0.225 115 S C 1.789 176.389 174.600 -0.000 0.000 1.027 115 S CA 0.426 58.607 58.200 -0.031 0.000 0.965 115 S CB 0.014 63.187 63.200 -0.045 0.000 0.812 115 S HN 0.215 nan 8.310 nan 0.000 0.482 116 L N 1.664 122.893 121.223 0.010 0.000 2.362 116 L HA -0.027 4.312 4.340 -0.001 0.000 0.219 116 L C 2.746 179.628 176.870 0.020 0.000 1.134 116 L CA 1.411 56.260 54.840 0.015 0.000 0.807 116 L CB -0.942 41.119 42.059 0.004 0.000 0.927 116 L HN 0.512 nan 8.230 nan 0.000 0.447 117 T N -3.368 111.195 114.554 0.015 0.000 2.915 117 T HA -0.032 4.318 4.350 -0.001 0.000 0.269 117 T C 1.690 176.412 174.700 0.037 0.000 1.071 117 T CA 1.023 63.139 62.100 0.026 0.000 1.132 117 T CB -0.057 68.821 68.868 0.017 0.000 0.878 117 T HN 0.494 nan 8.240 nan 0.000 0.479 118 G N 0.928 109.745 108.800 0.029 0.000 2.225 118 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.254 118 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.254 118 G C 0.055 174.975 174.900 0.034 0.000 0.988 118 G CA 0.254 45.374 45.100 0.034 0.000 0.625 118 G HN 0.651 nan 8.290 nan 0.000 0.527 119 L N 0.694 121.936 121.223 0.033 0.000 2.479 119 L HA 0.555 4.895 4.340 -0.001 0.000 0.249 119 L C 1.014 177.900 176.870 0.028 0.000 1.178 119 L CA -0.394 54.469 54.840 0.037 0.000 0.811 119 L CB 0.954 43.034 42.059 0.035 0.000 1.187 119 L HN 0.047 nan 8.230 nan 0.000 0.480 120 S N 1.763 117.485 115.700 0.037 0.000 3.940 120 S HA 0.424 4.893 4.470 -0.001 0.000 0.210 120 S C -0.259 174.353 174.600 0.020 0.000 1.419 120 S CA -0.216 58.001 58.200 0.028 0.000 0.912 120 S CB -0.548 62.677 63.200 0.041 0.000 1.489 120 S HN 0.314 nan 8.310 nan 0.000 0.469 121 M N 1.988 121.591 119.600 0.005 0.000 2.134 121 M HA 0.418 4.897 4.480 -0.001 0.000 0.310 121 M C 0.678 176.972 176.300 -0.009 0.000 0.966 121 M CA -0.579 54.721 55.300 0.000 0.000 0.922 121 M CB 1.808 34.407 32.600 -0.001 0.000 1.537 121 M HN 0.465 nan 8.290 nan 0.000 0.424 122 G N 1.699 110.498 108.800 -0.003 0.000 2.563 122 G HA2 0.682 4.641 3.960 -0.001 0.000 0.283 122 G HA3 0.682 4.641 3.960 -0.001 0.000 0.283 122 G C -0.310 174.640 174.900 0.083 0.000 1.309 122 G CA -0.556 44.556 45.100 0.020 0.000 1.022 122 G HN 0.773 nan 8.290 nan 0.000 0.501 123 G N -2.011 106.882 108.800 0.156 0.000 2.420 123 G HA2 0.725 4.684 3.960 -0.001 0.000 0.331 123 G HA3 0.725 4.684 3.960 -0.001 0.000 0.331 123 G C -0.371 174.688 174.900 0.265 0.000 1.168 123 G CA 0.018 45.202 45.100 0.140 0.000 0.936 123 G HN 1.302 nan 8.290 nan 0.000 0.479 124 G N -0.067 108.846 108.800 0.189 0.000 2.579 124 G HA2 0.543 4.502 3.960 -0.001 0.000 0.292 124 G HA3 0.543 4.502 3.960 -0.001 0.000 0.292 124 G C -1.923 173.058 174.900 0.134 0.000 1.484 124 G CA -0.697 44.507 45.100 0.174 0.000 0.813 124 G HN 0.674 nan 8.290 nan 0.000 0.515 125 K N -0.722 119.758 120.400 0.134 0.000 2.508 125 K HA 0.857 5.176 4.320 -0.001 0.000 0.260 125 K C 0.208 176.903 176.600 0.159 0.000 0.949 125 K CA 0.155 56.514 56.287 0.120 0.000 0.834 125 K CB 2.134 34.689 32.500 0.090 0.000 1.365 125 K HN 1.153 nan 8.250 nan 0.000 0.437 126 G N -0.381 108.544 108.800 0.208 0.000 3.058 126 G HA2 0.782 4.741 3.960 -0.001 0.000 0.282 126 G HA3 0.782 4.741 3.960 -0.001 0.000 0.282 126 G C -0.456 174.697 174.900 0.423 0.000 1.248 126 G CA -0.409 44.896 45.100 0.342 0.000 0.822 126 G HN 1.058 nan 8.290 nan 0.000 0.579 127 G N -1.822 107.370 108.800 0.653 0.000 2.334 127 G HA2 0.500 4.459 3.960 -0.001 0.000 0.315 127 G HA3 0.500 4.459 3.960 -0.001 0.000 0.315 127 G C -0.706 174.614 174.900 0.701 0.000 1.284 127 G CA 0.772 46.309 45.100 0.727 0.000 0.985 127 G HN 1.929 nan 8.290 nan 0.000 0.504 128 S N -1.330 114.689 115.700 0.532 0.000 2.570 128 S HA 0.550 5.019 4.470 -0.001 0.000 0.270 128 S C -0.260 174.489 174.600 0.247 0.000 1.149 128 S CA 0.678 59.042 58.200 0.273 0.000 0.837 128 S CB 1.698 64.941 63.200 0.072 0.000 1.124 128 S HN 1.387 nan 8.310 nan 0.000 0.465 129 D N 1.380 121.900 120.400 0.200 0.000 2.323 129 D HA 0.088 4.727 4.640 -0.001 0.000 0.239 129 D C 0.136 176.477 176.300 0.069 0.000 1.129 129 D CA -0.207 53.890 54.000 0.162 0.000 0.865 129 D CB -0.609 40.285 40.800 0.158 0.000 0.913 129 D HN 0.273 nan 8.370 nan 0.000 0.517 130 F N 1.615 121.448 119.950 -0.195 0.000 2.443 130 F HA 0.316 4.842 4.527 -0.001 0.000 0.353 130 F C -0.191 175.459 175.800 -0.250 0.000 1.101 130 F CA -0.886 56.862 58.000 -0.420 0.000 1.226 130 F CB 0.950 39.191 39.000 -1.264 0.000 1.140 130 F HN -0.245 nan 8.300 nan 0.000 0.557 131 D N 7.870 127.554 120.400 -1.193 0.000 2.414 131 D HA 0.357 4.996 4.640 -0.001 0.000 0.232 131 D C -2.148 173.485 176.300 -1.113 0.000 1.070 131 D CA -2.498 50.982 54.000 -0.867 0.000 0.839 131 D CB 2.008 42.545 40.800 -0.439 0.000 1.079 131 D HN 0.213 nan 8.370 nan 0.000 0.521 132 P HA -0.075 nan 4.420 nan 0.000 0.216 132 P C -0.364 176.839 177.300 -0.161 0.000 1.153 132 P CA 0.806 63.720 63.100 -0.309 0.000 0.848 132 P CB 0.162 31.855 31.700 -0.010 0.000 0.787 133 K N 0.289 120.605 120.400 -0.140 0.000 2.440 133 K HA 0.185 4.504 4.320 -0.001 0.000 0.275 133 K C 1.255 177.814 176.600 -0.068 0.000 1.082 133 K CA 1.012 57.255 56.287 -0.074 0.000 1.135 133 K CB -0.803 31.655 32.500 -0.070 0.000 0.864 133 K HN 0.259 nan 8.250 nan 0.000 0.479 134 G N 2.228 111.018 108.800 -0.017 0.000 2.232 134 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.226 134 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.226 134 G C -0.169 174.760 174.900 0.048 0.000 0.996 134 G CA -0.284 44.822 45.100 0.009 0.000 0.626 134 G HN 0.446 nan 8.290 nan 0.000 0.509 135 K N 1.823 122.255 120.400 0.054 0.000 2.154 135 K HA 0.645 4.964 4.320 -0.001 0.000 0.264 135 K C 0.997 177.676 176.600 0.133 0.000 1.008 135 K CA 0.365 56.732 56.287 0.134 0.000 0.937 135 K CB 1.253 33.862 32.500 0.180 0.000 1.002 135 K HN 0.512 nan 8.250 nan 0.000 0.469 136 S N -0.395 115.401 115.700 0.161 0.000 2.645 136 S HA 0.084 4.553 4.470 -0.001 0.000 0.266 136 S C 0.829 175.527 174.600 0.162 0.000 1.258 136 S CA -0.496 57.789 58.200 0.141 0.000 0.990 136 S CB 0.939 64.223 63.200 0.139 0.000 0.967 136 S HN 0.695 nan 8.310 nan 0.000 0.556 137 D N 0.422 120.914 120.400 0.154 0.000 2.178 137 D HA -0.155 4.484 4.640 -0.001 0.000 0.202 137 D C 1.242 177.683 176.300 0.235 0.000 0.974 137 D CA 0.933 55.051 54.000 0.197 0.000 0.841 137 D CB -0.257 40.654 40.800 0.185 0.000 0.953 137 D HN 0.516 nan 8.370 nan 0.000 0.478 138 N N 0.827 119.633 118.700 0.176 0.000 2.166 138 N HA -0.128 4.611 4.740 -0.001 0.000 0.186 138 N C 1.682 177.291 175.510 0.165 0.000 1.019 138 N CA 0.745 53.882 53.050 0.144 0.000 0.856 138 N CB -0.127 38.431 38.487 0.118 0.000 0.993 138 N HN 0.460 nan 8.380 nan 0.000 0.426 139 E N 0.612 120.936 120.200 0.207 0.000 2.106 139 E HA -0.014 4.335 4.350 -0.001 0.000 0.192 139 E C 1.949 178.611 176.600 0.104 0.000 0.984 139 E CA 0.506 57.051 56.400 0.243 0.000 0.806 139 E CB 0.018 29.929 29.700 0.351 0.000 0.750 139 E HN 0.333 nan 8.360 nan 0.000 0.458 140 I N 0.819 121.498 120.570 0.180 0.000 2.614 140 I HA -0.210 3.959 4.170 -0.001 0.000 0.258 140 I C 2.268 178.528 176.117 0.238 0.000 1.189 140 I CA 0.278 61.701 61.300 0.206 0.000 1.462 140 I CB -0.015 38.151 38.000 0.277 0.000 1.092 140 I HN 0.157 nan 8.210 nan 0.000 0.442 141 L N 1.008 122.373 121.223 0.236 0.000 2.049 141 L HA -0.111 4.228 4.340 -0.001 0.000 0.203 141 L C 2.366 179.243 176.870 0.011 0.000 1.074 141 L CA 1.819 56.718 54.840 0.098 0.000 0.749 141 L CB -0.583 41.354 42.059 -0.202 0.000 0.907 141 L HN -0.003 nan 8.230 nan 0.000 0.439 142 K N -1.036 119.386 120.400 0.036 0.000 2.074 142 K HA -0.238 4.081 4.320 -0.001 0.000 0.209 142 K C 2.098 178.693 176.600 -0.008 0.000 1.048 142 K CA 2.042 58.369 56.287 0.066 0.000 0.926 142 K CB -0.522 32.105 32.500 0.211 0.000 0.713 142 K HN 0.327 nan 8.250 nan 0.000 0.444 143 F N 1.096 120.827 119.950 -0.365 0.000 2.206 143 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 143 F C 2.054 177.660 175.800 -0.324 0.000 1.090 143 F CA 0.961 58.527 58.000 -0.724 0.000 1.323 143 F CB -0.288 37.714 39.000 -1.663 0.000 1.028 143 F HN -0.023 nan 8.300 nan 0.000 0.492 144 C N 0.555 119.748 119.300 -0.177 0.000 2.440 144 C HA -0.148 4.311 4.460 -0.001 0.000 0.278 144 C C 2.691 177.677 174.990 -0.006 0.000 1.295 144 C CA 1.156 60.151 59.018 -0.038 0.000 1.738 144 C CB -1.164 26.689 27.740 0.187 0.000 1.987 144 C HN 0.542 nan 8.230 nan 0.000 0.492 145 Q N 0.704 120.487 119.800 -0.029 0.000 2.123 145 Q HA -0.071 4.268 4.340 -0.001 0.000 0.199 145 Q C 2.477 178.463 176.000 -0.024 0.000 0.966 145 Q CA 1.575 57.370 55.803 -0.013 0.000 0.845 145 Q CB -0.316 28.401 28.738 -0.035 0.000 0.907 145 Q HN 0.728 nan 8.270 nan 0.000 0.439 146 A N 0.689 123.460 122.820 -0.081 0.000 1.898 146 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 146 A C 1.850 179.388 177.584 -0.077 0.000 1.181 146 A CA 0.915 52.911 52.037 -0.068 0.000 0.620 146 A CB -0.718 18.248 19.000 -0.057 0.000 0.819 146 A HN 0.383 nan 8.150 nan 0.000 0.442 147 F N -0.330 119.392 119.950 -0.379 0.000 2.069 147 F HA -0.211 4.315 4.527 -0.001 0.000 0.298 147 F C 2.225 178.016 175.800 -0.014 0.000 1.113 147 F CA 2.418 60.283 58.000 -0.225 0.000 1.214 147 F CB -0.210 38.569 39.000 -0.368 0.000 0.978 147 F HN 0.265 nan 8.300 nan 0.000 0.474 148 M N 0.753 120.480 119.600 0.213 0.000 2.374 148 M HA -0.174 4.305 4.480 -0.001 0.000 0.264 148 M C 1.551 177.933 176.300 0.137 0.000 1.067 148 M CA 1.607 57.023 55.300 0.192 0.000 1.103 148 M CB -1.157 31.584 32.600 0.235 0.000 1.402 148 M HN 0.208 nan 8.290 nan 0.000 0.444 149 N N -0.711 118.026 118.700 0.062 0.000 2.443 149 N HA -0.173 4.566 4.740 -0.001 0.000 0.184 149 N C 1.367 176.934 175.510 0.095 0.000 1.037 149 N CA 0.987 54.091 53.050 0.090 0.000 0.896 149 N CB 0.070 38.568 38.487 0.017 0.000 0.959 149 N HN 0.387 nan 8.380 nan 0.000 0.442 150 E N 0.700 120.817 120.200 -0.138 0.000 2.228 150 E HA 0.048 4.397 4.350 -0.001 0.000 0.197 150 E C 1.527 177.810 176.600 -0.529 0.000 0.909 150 E CA 0.043 56.203 56.400 -0.400 0.000 0.911 150 E CB -0.306 28.996 29.700 -0.663 0.000 0.887 150 E HN 0.073 nan 8.360 nan 0.000 0.481 151 L N 1.284 122.196 121.223 -0.518 0.000 2.362 151 L HA -0.036 4.303 4.340 -0.001 0.000 0.219 151 L C 2.044 178.873 176.870 -0.068 0.000 1.134 151 L CA 1.646 56.311 54.840 -0.292 0.000 0.807 151 L CB -0.831 41.099 42.059 -0.215 0.000 0.927 151 L HN 0.406 nan 8.230 nan 0.000 0.447 152 Y N 0.414 120.689 120.300 -0.042 0.000 2.274 152 Y HA -0.187 4.363 4.550 -0.002 0.000 0.290 152 Y C 2.403 178.294 175.900 -0.015 0.000 1.145 152 Y CA 1.457 59.605 58.100 0.080 0.000 1.203 152 Y CB -0.998 37.477 38.460 0.024 0.000 0.984 152 Y HN 0.315 nan 8.280 nan 0.000 0.533 153 R N -0.176 119.595 120.500 -1.214 0.000 2.280 153 R HA -0.068 4.271 4.340 -0.001 0.000 0.207 153 R C 0.426 176.342 176.300 -0.640 0.000 1.043 153 R CA 1.736 57.206 56.100 -1.050 0.000 1.006 153 R CB -0.912 28.642 30.300 -1.242 0.000 0.885 153 R HN 0.548 nan 8.270 nan 0.000 0.467 154 H N 0.482 119.418 119.070 -0.224 0.000 2.705 154 H HA 0.327 4.882 4.556 -0.001 0.000 0.269 154 H C 0.659 175.992 175.328 0.009 0.000 0.998 154 H CA -0.001 55.987 56.048 -0.101 0.000 1.193 154 H CB 0.502 30.184 29.762 -0.133 0.000 1.485 154 H HN 0.275 nan 8.280 nan 0.000 0.521 155 I N -1.896 118.757 120.570 0.137 0.000 3.067 155 I HA 0.890 5.059 4.170 -0.001 0.000 0.312 155 I C -0.171 176.049 176.117 0.171 0.000 1.073 155 I CA -1.018 60.377 61.300 0.160 0.000 1.016 155 I CB 2.559 40.640 38.000 0.136 0.000 1.227 155 I HN 0.082 nan 8.210 nan 0.000 0.456 156 G N 2.081 110.961 108.800 0.133 0.000 2.361 156 G HA2 0.325 4.285 3.960 -0.001 0.000 0.299 156 G HA3 0.325 4.285 3.960 -0.001 0.000 0.299 156 G C -2.882 172.091 174.900 0.121 0.000 1.544 156 G CA -0.610 44.577 45.100 0.146 0.000 0.860 156 G HN 0.395 nan 8.290 nan 0.000 0.610 157 P HA -0.143 nan 4.420 nan 0.000 0.222 157 P C 1.260 178.735 177.300 0.291 0.000 1.155 157 P CA 1.915 65.147 63.100 0.221 0.000 0.890 157 P CB 0.233 32.127 31.700 0.323 0.000 0.790 158 C N -3.046 116.373 119.300 0.198 0.000 2.976 158 C HA 0.327 4.787 4.460 -0.001 0.000 0.274 158 C C 1.640 176.671 174.990 0.069 0.000 1.487 158 C CA 0.065 59.165 59.018 0.136 0.000 1.789 158 C CB -1.128 26.651 27.740 0.065 0.000 2.771 158 C HN 0.271 nan 8.230 nan 0.000 0.551 159 T N -1.146 113.464 114.554 0.093 0.000 3.321 159 T HA 0.156 4.505 4.350 -0.001 0.000 0.251 159 T C -0.587 174.217 174.700 0.173 0.000 0.999 159 T CA 0.568 62.729 62.100 0.101 0.000 1.186 159 T CB 0.326 69.279 68.868 0.141 0.000 1.163 159 T HN 0.278 nan 8.240 nan 0.000 0.399 160 D N 1.073 121.589 120.400 0.193 0.000 2.890 160 D HA 0.405 5.044 4.640 -0.001 0.000 0.233 160 D C -1.498 174.876 176.300 0.123 0.000 1.306 160 D CA -0.264 53.874 54.000 0.229 0.000 0.929 160 D CB 2.196 43.158 40.800 0.270 0.000 1.512 160 D HN 0.009 nan 8.370 nan 0.000 0.568 161 V N 5.632 125.600 119.914 0.091 0.000 2.239 161 V HA 0.327 4.446 4.120 -0.001 0.000 0.267 161 V C -2.052 174.059 176.094 0.029 0.000 1.056 161 V CA -1.429 60.883 62.300 0.019 0.000 0.830 161 V CB 0.890 32.693 31.823 -0.033 0.000 1.090 161 V HN 0.387 nan 8.190 nan 0.000 0.459 162 P HA 0.432 nan 4.420 nan 0.000 0.272 162 P C -0.083 177.225 177.300 0.015 0.000 1.254 162 P CA 0.273 63.414 63.100 0.069 0.000 0.795 162 P CB 0.828 32.605 31.700 0.129 0.000 1.022 163 A N -0.353 122.471 122.820 0.006 0.000 2.534 163 A HA 0.753 5.072 4.320 -0.001 0.000 0.300 163 A C -0.188 177.358 177.584 -0.064 0.000 1.223 163 A CA -0.171 51.841 52.037 -0.042 0.000 0.666 163 A CB 0.504 19.473 19.000 -0.053 0.000 1.316 163 A HN 0.538 nan 8.150 nan 0.000 0.468 164 G N -1.378 107.367 108.800 -0.092 0.000 2.547 164 G HA2 0.540 4.499 3.960 -0.001 0.000 0.291 164 G HA3 0.540 4.499 3.960 -0.001 0.000 0.291 164 G C -0.644 174.189 174.900 -0.111 0.000 1.211 164 G CA 0.575 45.602 45.100 -0.123 0.000 0.950 164 G HN 0.848 nan 8.290 nan 0.000 0.504 165 D N -1.898 118.424 120.400 -0.130 0.000 3.522 165 D HA -0.002 4.637 4.640 -0.001 0.000 0.363 165 D C -0.701 175.533 176.300 -0.110 0.000 1.509 165 D CA -0.640 53.299 54.000 -0.102 0.000 0.907 165 D CB 0.619 41.370 40.800 -0.081 0.000 1.485 165 D HN 0.234 nan 8.370 nan 0.000 0.560 166 I N 1.531 122.042 120.570 -0.098 0.000 2.483 166 I HA 0.277 4.446 4.170 -0.001 0.000 0.291 166 I C 1.504 177.582 176.117 -0.067 0.000 1.112 166 I CA 1.540 62.777 61.300 -0.105 0.000 1.350 166 I CB 0.291 38.174 38.000 -0.195 0.000 1.419 166 I HN 0.763 nan 8.210 nan 0.000 0.523 167 G N 4.495 113.268 108.800 -0.046 0.000 2.339 167 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.209 167 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.209 167 G C 0.110 174.917 174.900 -0.155 0.000 1.015 167 G CA -0.313 44.786 45.100 -0.001 0.000 0.635 167 G HN 0.406 nan 8.290 nan 0.000 0.499 168 V N 2.385 122.118 119.914 -0.301 0.000 2.304 168 V HA 0.724 4.843 4.120 -0.001 0.000 0.269 168 V C 0.968 176.944 176.094 -0.197 0.000 1.036 168 V CA 0.111 62.186 62.300 -0.376 0.000 0.840 168 V CB 0.641 32.136 31.823 -0.547 0.000 1.036 168 V HN 0.825 nan 8.190 nan 0.000 0.466 169 G N 2.693 111.411 108.800 -0.138 0.000 2.820 169 G HA2 0.533 4.493 3.960 -0.001 0.000 0.291 169 G HA3 0.533 4.493 3.960 -0.001 0.000 0.291 169 G C 1.031 175.871 174.900 -0.099 0.000 1.323 169 G CA -0.063 44.975 45.100 -0.104 0.000 1.055 169 G HN 0.753 nan 8.290 nan 0.000 0.520 170 G N -0.817 107.927 108.800 -0.093 0.000 2.485 170 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.221 170 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.221 170 G C 1.648 176.512 174.900 -0.060 0.000 1.115 170 G CA 1.319 46.369 45.100 -0.084 0.000 0.751 170 G HN 0.609 nan 8.290 nan 0.000 0.567 171 R N 0.297 120.728 120.500 -0.115 0.000 2.055 171 R HA -0.022 4.317 4.340 -0.001 0.000 0.228 171 R C 2.418 178.550 176.300 -0.280 0.000 1.143 171 R CA 1.592 57.543 56.100 -0.249 0.000 0.945 171 R CB -0.291 29.845 30.300 -0.272 0.000 0.841 171 R HN 0.255 nan 8.270 nan 0.000 0.429 172 E N 0.660 120.772 120.200 -0.147 0.000 2.160 172 E HA -0.138 4.211 4.350 -0.001 0.000 0.195 172 E C 1.826 178.448 176.600 0.036 0.000 0.991 172 E CA 1.250 57.627 56.400 -0.037 0.000 0.810 172 E CB -0.086 29.577 29.700 -0.063 0.000 0.742 172 E HN 0.449 nan 8.360 nan 0.000 0.466 173 I N -0.211 120.373 120.570 0.024 0.000 2.439 173 I HA -0.108 4.061 4.170 -0.001 0.000 0.251 173 I C 2.167 178.457 176.117 0.287 0.000 1.139 173 I CA 0.959 62.324 61.300 0.107 0.000 1.438 173 I CB -0.287 37.735 38.000 0.036 0.000 1.085 173 I HN 0.197 nan 8.210 nan 0.000 0.427 174 G N -0.233 108.745 108.800 0.296 0.000 2.403 174 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 174 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 174 G C 1.595 176.721 174.900 0.378 0.000 1.154 174 G CA 0.376 45.739 45.100 0.439 0.000 0.784 174 G HN 0.361 nan 8.290 nan 0.000 0.538 175 Y N -0.159 120.221 120.300 0.134 0.000 2.314 175 Y HA 0.098 4.647 4.550 -0.001 0.000 0.293 175 Y C 2.698 178.654 175.900 0.093 0.000 1.129 175 Y CA -0.137 58.014 58.100 0.084 0.000 1.201 175 Y CB 0.058 38.565 38.460 0.079 0.000 0.999 175 Y HN 0.100 nan 8.280 nan 0.000 0.541 176 L N -1.337 120.068 121.223 0.304 0.000 2.044 176 L HA -0.251 4.088 4.340 -0.001 0.000 0.205 176 L C 2.314 179.342 176.870 0.264 0.000 1.075 176 L CA 1.135 56.129 54.840 0.256 0.000 0.747 176 L CB -0.558 41.647 42.059 0.244 0.000 0.903 176 L HN 0.205 nan 8.230 nan 0.000 0.435 177 Y N 0.596 120.991 120.300 0.157 0.000 2.315 177 Y HA -0.187 4.362 4.550 -0.001 0.000 0.288 177 Y C 2.158 178.109 175.900 0.085 0.000 1.154 177 Y CA 1.308 59.487 58.100 0.133 0.000 1.229 177 Y CB -0.540 38.008 38.460 0.147 0.000 0.980 177 Y HN 0.105 nan 8.280 nan 0.000 0.540 178 G N -0.767 108.057 108.800 0.041 0.000 2.402 178 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.216 178 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.216 178 G C 1.485 176.329 174.900 -0.093 0.000 1.162 178 G CA 0.906 45.959 45.100 -0.079 0.000 0.777 178 G HN 0.398 nan 8.290 nan 0.000 0.539 179 Q N -0.502 119.286 119.800 -0.021 0.000 2.083 179 Q HA -0.076 4.263 4.340 -0.001 0.000 0.198 179 Q C 2.140 178.090 176.000 -0.084 0.000 0.969 179 Q CA 1.290 57.064 55.803 -0.049 0.000 0.838 179 Q CB -0.634 28.108 28.738 0.006 0.000 0.900 179 Q HN 0.558 nan 8.270 nan 0.000 0.436 180 Y N 0.874 121.102 120.300 -0.121 0.000 2.151 180 Y HA -0.287 4.262 4.550 -0.001 0.000 0.284 180 Y C 2.111 177.873 175.900 -0.231 0.000 1.166 180 Y CA 2.400 60.419 58.100 -0.136 0.000 1.163 180 Y CB -0.129 38.285 38.460 -0.076 0.000 0.974 180 Y HN 0.132 nan 8.280 nan 0.000 0.511 181 K N 0.130 120.363 120.400 -0.278 0.000 2.103 181 K HA -0.198 4.121 4.320 -0.001 0.000 0.204 181 K C 2.195 178.625 176.600 -0.284 0.000 1.052 181 K CA 1.480 57.573 56.287 -0.323 0.000 0.945 181 K CB -0.170 32.137 32.500 -0.322 0.000 0.722 181 K HN 0.111 nan 8.250 nan 0.000 0.443 182 K N 1.263 121.515 120.400 -0.246 0.000 2.057 182 K HA -0.048 4.271 4.320 -0.001 0.000 0.206 182 K C 1.710 178.153 176.600 -0.262 0.000 1.050 182 K CA 1.530 57.691 56.287 -0.210 0.000 0.935 182 K CB -0.197 32.201 32.500 -0.169 0.000 0.715 182 K HN 0.244 nan 8.250 nan 0.000 0.439 183 I N -0.162 120.191 120.570 -0.362 0.000 2.206 183 I HA -0.176 3.993 4.170 -0.001 0.000 0.239 183 I C 1.899 177.718 176.117 -0.497 0.000 1.078 183 I CA 0.869 61.890 61.300 -0.464 0.000 1.367 183 I CB -0.145 37.455 38.000 -0.668 0.000 1.078 183 I HN -0.098 nan 8.210 nan 0.000 0.413 184 V N 0.148 119.695 119.914 -0.611 0.000 2.809 184 V HA -0.185 3.935 4.120 -0.001 0.000 0.256 184 V C 1.040 176.953 176.094 -0.301 0.000 1.080 184 V CA 1.096 63.102 62.300 -0.491 0.000 1.102 184 V CB -1.300 30.104 31.823 -0.698 0.000 0.705 184 V HN 0.707 nan 8.190 nan 0.000 0.475 185 N N 0.189 118.724 118.700 -0.274 0.000 2.756 185 N HA -0.200 4.539 4.740 -0.001 0.000 0.248 185 N C -0.205 175.258 175.510 -0.079 0.000 1.062 185 N CA 0.493 53.453 53.050 -0.150 0.000 0.696 185 N CB -0.710 37.707 38.487 -0.118 0.000 0.946 185 N HN 0.475 nan 8.380 nan 0.000 0.548 186 S N 0.925 116.584 115.700 -0.069 0.000 2.572 186 S HA 0.508 4.977 4.470 -0.001 0.000 0.274 186 S C -1.258 173.453 174.600 0.184 0.000 1.150 186 S CA -0.644 57.596 58.200 0.067 0.000 0.944 186 S CB 0.808 64.049 63.200 0.068 0.000 1.071 186 S HN 0.334 nan 8.310 nan 0.000 0.479 187 F N 6.335 126.361 119.950 0.125 0.000 2.391 187 F HA 0.675 5.201 4.527 -0.002 0.000 0.359 187 F C 0.024 176.010 175.800 0.310 0.000 1.122 187 F CA -0.052 58.086 58.000 0.230 0.000 1.120 187 F CB 0.448 39.580 39.000 0.220 0.000 1.142 187 F HN 0.829 nan 8.300 nan 0.000 0.483 188 N N 2.010 120.697 118.700 -0.023 0.000 3.308 188 N HA 0.366 5.105 4.740 -0.001 0.000 0.276 188 N C -0.783 174.706 175.510 -0.035 0.000 1.533 188 N CA -0.714 52.356 53.050 0.034 0.000 0.878 188 N CB 0.681 39.283 38.487 0.192 0.000 1.566 188 N HN 0.460 nan 8.380 nan 0.000 0.546 189 G N -1.012 107.745 108.800 -0.071 0.000 3.939 189 G HA2 0.238 4.197 3.960 -0.001 0.000 0.268 189 G HA3 0.238 4.197 3.960 -0.001 0.000 0.268 189 G C -0.040 174.761 174.900 -0.166 0.000 1.172 189 G CA -0.227 44.752 45.100 -0.201 0.000 1.614 189 G HN 0.575 nan 8.290 nan 0.000 0.639 190 T N 0.670 115.159 114.554 -0.107 0.000 2.995 190 T HA 0.093 4.443 4.350 -0.001 0.000 0.269 190 T C 0.803 175.412 174.700 -0.152 0.000 1.091 190 T CA 0.784 62.767 62.100 -0.195 0.000 1.128 190 T CB -0.065 68.423 68.868 -0.634 0.000 0.891 190 T HN 0.213 nan 8.240 nan 0.000 0.492 191 L N 0.915 122.064 121.223 -0.122 0.000 2.388 191 L HA 0.497 4.836 4.340 -0.001 0.000 0.264 191 L C -0.010 176.756 176.870 -0.173 0.000 0.998 191 L CA -1.087 53.694 54.840 -0.097 0.000 0.817 191 L CB 2.360 44.414 42.059 -0.009 0.000 1.338 191 L HN -0.025 nan 8.230 nan 0.000 0.414 192 T N -2.445 112.014 114.554 -0.157 0.000 2.925 192 T HA 0.693 5.042 4.350 -0.001 0.000 0.285 192 T C 0.671 175.256 174.700 -0.191 0.000 1.021 192 T CA 0.025 62.004 62.100 -0.202 0.000 1.042 192 T CB 1.791 70.552 68.868 -0.178 0.000 1.037 192 T HN 1.045 nan 8.240 nan 0.000 0.481 193 G N 0.992 109.651 108.800 -0.236 0.000 2.148 193 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.203 193 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.203 193 G C 0.010 174.732 174.900 -0.296 0.000 0.993 193 G CA -0.137 44.827 45.100 -0.226 0.000 0.661 193 G HN 0.876 nan 8.290 nan 0.000 0.518 197 V N 2.131 121.736 119.914 -0.515 0.000 2.759 197 V HA -0.109 4.011 4.120 -0.001 0.000 0.256 197 V C 1.823 177.669 176.094 -0.414 0.000 1.080 197 V CA 1.421 63.473 62.300 -0.414 0.000 1.101 197 V CB -0.487 31.188 31.823 -0.246 0.000 0.698 197 V HN 0.628 nan 8.190 nan 0.000 0.477 198 K N 0.090 120.285 120.400 -0.341 0.000 2.283 198 K HA -0.089 4.230 4.320 -0.001 0.000 0.202 198 K C 0.970 177.597 176.600 0.044 0.000 1.048 198 K CA 1.173 57.391 56.287 -0.115 0.000 0.948 198 K CB -0.011 32.533 32.500 0.073 0.000 0.742 198 K HN 0.804 nan 8.250 nan 0.000 0.458 199 W N -0.920 120.376 121.300 -0.008 0.000 1.187 199 W HA 0.467 5.126 4.660 -0.002 0.000 0.297 199 W C 0.007 176.581 176.519 0.091 0.000 0.842 199 W CA -0.293 57.152 57.345 0.167 0.000 2.286 199 W CB -0.279 29.362 29.460 0.303 0.000 1.736 199 W HN 0.164 nan 8.180 nan 0.000 0.507 200 G N 0.137 108.881 108.800 -0.095 0.000 2.480 200 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.193 200 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.193 200 G C 0.658 175.348 174.900 -0.350 0.000 1.004 200 G CA -0.293 44.680 45.100 -0.213 0.000 0.696 200 G HN 0.646 nan 8.290 nan 0.000 0.478 201 G N 0.143 108.650 108.800 -0.490 0.000 2.794 201 G HA2 0.467 4.426 3.960 -0.001 0.000 0.249 201 G HA3 0.467 4.426 3.960 -0.001 0.000 0.249 201 G C 0.187 174.962 174.900 -0.209 0.000 1.236 201 G CA 1.233 46.082 45.100 -0.418 0.000 0.880 201 G HN 1.369 nan 8.290 nan 0.000 0.586 202 S N -0.655 114.945 115.700 -0.167 0.000 2.549 202 S HA 0.413 4.883 4.470 -0.001 0.000 0.280 202 S C -0.198 174.350 174.600 -0.088 0.000 1.109 202 S CA -0.998 57.152 58.200 -0.082 0.000 0.905 202 S CB 0.953 64.029 63.200 -0.206 0.000 1.081 202 S HN 0.601 nan 8.310 nan 0.000 0.477 203 N N 2.513 121.168 118.700 -0.075 0.000 2.415 203 N HA 0.250 4.989 4.740 -0.001 0.000 0.248 203 N C 0.523 175.952 175.510 -0.134 0.000 1.271 203 N CA 0.084 53.080 53.050 -0.090 0.000 0.913 203 N CB 0.172 38.614 38.487 -0.076 0.000 1.129 203 N HN 0.840 nan 8.380 nan 0.000 0.444 204 L N -0.862 120.253 121.223 -0.179 0.000 4.291 204 L HA -0.293 4.047 4.340 -0.001 0.000 0.413 204 L C 1.779 178.475 176.870 -0.289 0.000 1.162 204 L CA 0.407 55.090 54.840 -0.262 0.000 0.961 204 L CB -0.662 41.302 42.059 -0.158 0.000 2.095 204 L HN 0.687 nan 8.230 nan 0.000 0.838 205 R N 0.232 120.575 120.500 -0.263 0.000 2.090 205 R HA -0.072 4.268 4.340 -0.001 0.000 0.228 205 R C 1.658 177.786 176.300 -0.286 0.000 1.110 205 R CA 1.828 57.780 56.100 -0.246 0.000 0.973 205 R CB 0.081 30.246 30.300 -0.226 0.000 0.869 205 R HN 0.358 nan 8.270 nan 0.000 0.440 206 V N 0.999 120.690 119.914 -0.372 0.000 2.951 206 V HA -0.048 4.072 4.120 -0.001 0.000 0.255 206 V C 1.075 176.773 176.094 -0.660 0.000 1.088 206 V CA 1.470 63.510 62.300 -0.434 0.000 1.109 206 V CB 0.171 31.735 31.823 -0.431 0.000 0.724 206 V HN 0.342 nan 8.190 nan 0.000 0.471 207 E N 0.336 120.031 120.200 -0.842 0.000 2.431 207 E HA 0.276 4.625 4.350 -0.001 0.000 0.200 207 E C 2.079 178.309 176.600 -0.617 0.000 0.995 207 E CA 0.703 56.484 56.400 -1.030 0.000 0.915 207 E CB -0.333 28.307 29.700 -1.767 0.000 0.930 207 E HN 0.430 nan 8.360 nan 0.000 0.496 208 A N 0.876 123.461 122.820 -0.391 0.000 1.903 208 A HA -0.300 4.019 4.320 -0.001 0.000 0.219 208 A C 2.236 179.789 177.584 -0.051 0.000 1.191 208 A CA 2.493 54.438 52.037 -0.155 0.000 0.638 208 A CB -1.231 17.699 19.000 -0.116 0.000 0.823 208 A HN 0.286 nan 8.150 nan 0.000 0.451 209 T N -0.533 113.978 114.554 -0.072 0.000 2.639 209 T HA 0.014 4.363 4.350 -0.001 0.000 0.261 209 T C 2.065 176.781 174.700 0.028 0.000 1.053 209 T CA 1.592 63.684 62.100 -0.013 0.000 1.158 209 T CB -0.998 67.857 68.868 -0.022 0.000 0.863 209 T HN 0.615 nan 8.240 nan 0.000 0.413 210 G N 0.382 109.201 108.800 0.032 0.000 2.491 210 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.218 210 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.218 210 G C 1.354 176.305 174.900 0.085 0.000 1.180 210 G CA 0.901 46.044 45.100 0.072 0.000 0.774 210 G HN 0.391 nan 8.290 nan 0.000 0.562 211 Y N 1.341 121.539 120.300 -0.170 0.000 2.069 211 Y HA -0.145 4.404 4.550 -0.002 0.000 0.278 211 Y C 3.098 178.734 175.900 -0.440 0.000 1.175 211 Y CA 0.915 58.779 58.100 -0.393 0.000 1.134 211 Y CB -1.056 37.208 38.460 -0.327 0.000 0.965 211 Y HN 0.188 nan 8.280 nan 0.000 0.498 212 G N -0.666 108.174 108.800 0.068 0.000 2.448 212 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.219 212 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.219 212 G C 1.863 176.882 174.900 0.199 0.000 1.127 212 G CA 0.686 45.904 45.100 0.197 0.000 0.766 212 G HN 0.417 nan 8.290 nan 0.000 0.552 213 L N 0.356 121.656 121.223 0.128 0.000 2.017 213 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 213 L C 2.916 179.938 176.870 0.253 0.000 1.073 213 L CA 1.173 56.130 54.840 0.195 0.000 0.745 213 L CB -0.211 41.946 42.059 0.162 0.000 0.894 213 L HN 0.154 nan 8.230 nan 0.000 0.432 214 V N -0.902 119.059 119.914 0.079 0.000 2.307 214 V HA -0.331 3.788 4.120 -0.001 0.000 0.245 214 V C 2.151 178.332 176.094 0.145 0.000 1.045 214 V CA 1.766 64.096 62.300 0.049 0.000 1.024 214 V CB -0.828 30.877 31.823 -0.197 0.000 0.651 214 V HN 0.436 nan 8.190 nan 0.000 0.449 215 Y N -1.485 118.860 120.300 0.075 0.000 2.256 215 Y HA -0.301 4.248 4.550 -0.001 0.000 0.288 215 Y C 2.395 178.343 175.900 0.081 0.000 1.155 215 Y CA 1.635 59.765 58.100 0.051 0.000 1.203 215 Y CB -0.230 38.273 38.460 0.071 0.000 0.980 215 Y HN 0.296 nan 8.280 nan 0.000 0.530 216 F N -0.228 119.825 119.950 0.172 0.000 2.128 216 F HA -0.174 4.352 4.527 -0.002 0.000 0.295 216 F C 2.123 177.920 175.800 -0.004 0.000 1.100 216 F CA 1.015 59.070 58.000 0.091 0.000 1.260 216 F CB -0.756 38.317 39.000 0.121 0.000 1.009 216 F HN -0.272 nan 8.300 nan 0.000 0.476 217 V N 0.672 120.622 119.914 0.061 0.000 2.295 217 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 217 V C 2.426 178.429 176.094 -0.152 0.000 1.049 217 V CA 1.754 64.012 62.300 -0.070 0.000 1.024 217 V CB -0.921 30.975 31.823 0.121 0.000 0.648 217 V HN 0.453 nan 8.190 nan 0.000 0.447 218 L N 0.400 121.600 121.223 -0.039 0.000 2.189 218 L HA -0.192 4.148 4.340 -0.001 0.000 0.214 218 L C 2.127 178.886 176.870 -0.184 0.000 1.097 218 L CA 2.253 57.058 54.840 -0.059 0.000 0.764 218 L CB -0.678 41.400 42.059 0.032 0.000 0.900 218 L HN 0.379 nan 8.230 nan 0.000 0.436 219 E N -1.154 118.855 120.200 -0.319 0.000 2.122 219 E HA -0.059 4.290 4.350 -0.001 0.000 0.190 219 E C 2.033 178.080 176.600 -0.920 0.000 0.977 219 E CA 1.124 57.203 56.400 -0.534 0.000 0.820 219 E CB -0.085 29.284 29.700 -0.553 0.000 0.770 219 E HN 0.350 nan 8.360 nan 0.000 0.462 220 V N 0.927 120.246 119.914 -0.993 0.000 2.358 220 V HA -0.231 3.888 4.120 -0.001 0.000 0.246 220 V C 2.379 178.282 176.094 -0.318 0.000 1.047 220 V CA 1.482 63.283 62.300 -0.830 0.000 1.035 220 V CB -0.553 31.006 31.823 -0.441 0.000 0.658 220 V HN 0.278 nan 8.190 nan 0.000 0.452 221 L N -0.414 120.659 121.223 -0.250 0.000 1.989 221 L HA -0.219 4.120 4.340 -0.001 0.000 0.211 221 L C 2.654 179.451 176.870 -0.122 0.000 1.071 221 L CA 1.860 56.612 54.840 -0.145 0.000 0.749 221 L CB -0.783 41.211 42.059 -0.109 0.000 0.890 221 L HN 0.270 nan 8.230 nan 0.000 0.431 222 K N 0.312 120.624 120.400 -0.147 0.000 2.034 222 K HA -0.241 4.078 4.320 -0.001 0.000 0.214 222 K C 2.225 178.798 176.600 -0.045 0.000 1.051 222 K CA 2.133 58.361 56.287 -0.098 0.000 0.931 222 K CB -0.456 31.975 32.500 -0.115 0.000 0.715 222 K HN 0.408 nan 8.250 nan 0.000 0.446 223 S N 0.550 116.237 115.700 -0.022 0.000 2.493 223 S HA -0.117 4.353 4.470 -0.001 0.000 0.243 223 S C 1.644 176.318 174.600 0.124 0.000 0.991 223 S CA 0.931 59.207 58.200 0.127 0.000 0.957 223 S CB -0.028 63.384 63.200 0.353 0.000 0.756 223 S HN 0.132 nan 8.310 nan 0.000 0.521 224 L N 1.225 122.462 121.223 0.023 0.000 2.590 224 L HA 0.424 4.763 4.340 -0.001 0.000 0.227 224 L C 0.709 177.551 176.870 -0.047 0.000 1.099 224 L CA 0.509 55.318 54.840 -0.051 0.000 0.872 224 L CB -0.953 41.019 42.059 -0.146 0.000 1.088 224 L HN 0.485 nan 8.230 nan 0.000 0.479 225 N N 0.031 118.710 118.700 -0.034 0.000 2.780 225 N HA -0.235 4.504 4.740 -0.001 0.000 0.248 225 N C -0.684 174.801 175.510 -0.042 0.000 1.102 225 N CA 0.445 53.475 53.050 -0.033 0.000 0.697 225 N CB -1.434 37.040 38.487 -0.023 0.000 1.028 225 N HN 0.303 nan 8.380 nan 0.000 0.554 226 I N 0.587 121.125 120.570 -0.054 0.000 2.328 226 I HA 0.317 4.486 4.170 -0.001 0.000 0.287 226 I C -1.930 174.160 176.117 -0.046 0.000 1.012 226 I CA -2.048 59.221 61.300 -0.052 0.000 1.195 226 I CB 1.379 39.340 38.000 -0.066 0.000 1.350 226 I HN -0.039 nan 8.210 nan 0.000 0.464 227 P HA -0.057 nan 4.420 nan 0.000 0.258 227 P C 1.057 178.342 177.300 -0.025 0.000 1.214 227 P CA 0.286 63.368 63.100 -0.030 0.000 0.872 227 P CB 0.636 32.322 31.700 -0.024 0.000 0.890 228 V N 4.390 124.288 119.914 -0.027 0.000 2.380 228 V HA -0.240 3.879 4.120 -0.001 0.000 0.251 228 V C 1.867 177.960 176.094 -0.002 0.000 1.063 228 V CA 2.295 64.587 62.300 -0.013 0.000 1.055 228 V CB -0.632 31.182 31.823 -0.015 0.000 0.657 228 V HN 0.585 nan 8.190 nan 0.000 0.455 229 E N 0.023 120.217 120.200 -0.011 0.000 2.485 229 E HA -0.128 4.221 4.350 -0.001 0.000 0.194 229 E C 1.047 177.647 176.600 -0.000 0.000 1.098 229 E CA 0.535 56.931 56.400 -0.006 0.000 0.878 229 E CB -0.234 29.457 29.700 -0.015 0.000 0.939 229 E HN 0.644 nan 8.360 nan 0.000 0.503 230 K N 0.551 120.951 120.400 0.000 0.000 2.592 230 K HA 0.211 4.530 4.320 -0.001 0.000 0.203 230 K C -0.320 176.285 176.600 0.008 0.000 1.070 230 K CA -0.196 56.092 56.287 0.002 0.000 1.062 230 K CB 0.779 33.276 32.500 -0.006 0.000 0.814 230 K HN -0.040 nan 8.250 nan 0.000 0.502 231 Q N -0.053 119.759 119.800 0.019 0.000 2.416 231 Q HA 0.402 4.741 4.340 -0.001 0.000 0.279 231 Q C -0.767 175.263 176.000 0.050 0.000 1.101 231 Q CA -0.292 55.529 55.803 0.029 0.000 0.830 231 Q CB 2.103 30.860 28.738 0.030 0.000 1.402 231 Q HN -0.095 nan 8.270 nan 0.000 0.445 232 T N 0.505 115.094 114.554 0.058 0.000 2.829 232 T HA 0.858 5.207 4.350 -0.001 0.000 0.280 232 T C -1.155 173.615 174.700 0.118 0.000 0.999 232 T CA -0.725 61.422 62.100 0.077 0.000 0.983 232 T CB 1.343 70.249 68.868 0.063 0.000 0.968 232 T HN 0.563 nan 8.240 nan 0.000 0.446 233 A N 2.530 125.449 122.820 0.164 0.000 2.343 233 A HA 0.726 5.045 4.320 -0.001 0.000 0.308 233 A C -0.609 177.126 177.584 0.252 0.000 1.092 233 A CA -0.667 51.524 52.037 0.258 0.000 0.751 233 A CB 0.985 20.244 19.000 0.432 0.000 1.203 233 A HN 0.678 nan 8.150 nan 0.000 0.452 234 V N 2.909 122.976 119.914 0.256 0.000 2.394 234 V HA 0.560 4.679 4.120 -0.001 0.000 0.282 234 V C -0.227 176.029 176.094 0.271 0.000 1.031 234 V CA -0.368 62.060 62.300 0.213 0.000 0.881 234 V CB 1.183 33.102 31.823 0.161 0.000 0.982 234 V HN 0.648 nan 8.190 nan 0.000 0.451 235 V N 3.693 123.712 119.914 0.175 0.000 2.709 235 V HA 0.599 4.718 4.120 -0.001 0.000 0.308 235 V C -0.115 175.975 176.094 -0.005 0.000 1.062 235 V CA -0.566 61.840 62.300 0.177 0.000 0.901 235 V CB 2.526 34.441 31.823 0.153 0.000 1.003 235 V HN 0.953 nan 8.190 nan 0.000 0.425 236 S N 2.237 117.939 115.700 0.003 0.000 2.451 236 S HA 0.988 5.457 4.470 -0.001 0.000 0.301 236 S C -0.003 174.620 174.600 0.039 0.000 1.116 236 S CA 0.094 58.254 58.200 -0.067 0.000 1.093 236 S CB 1.573 64.673 63.200 -0.167 0.000 1.017 236 S HN 2.007 nan 8.310 nan 0.000 0.482 237 G N 0.844 109.648 108.800 0.007 0.000 2.357 237 G HA2 0.400 4.359 3.960 -0.001 0.000 0.289 237 G HA3 0.400 4.359 3.960 -0.001 0.000 0.289 237 G C -0.357 174.523 174.900 -0.032 0.000 1.302 237 G CA -0.202 44.905 45.100 0.011 0.000 0.936 237 G HN 1.209 nan 8.290 nan 0.000 0.513 238 S N -1.190 114.489 115.700 -0.035 0.000 2.474 238 S HA 0.345 4.814 4.470 -0.001 0.000 0.223 238 S C 0.814 175.386 174.600 -0.046 0.000 0.880 238 S CA 0.602 58.762 58.200 -0.067 0.000 1.579 238 S CB 0.022 63.193 63.200 -0.048 0.000 1.264 238 S HN 1.592 nan 8.310 nan 0.000 0.616 239 G N 1.526 110.316 108.800 -0.016 0.000 2.588 239 G HA2 0.306 4.265 3.960 -0.001 0.000 0.278 239 G HA3 0.306 4.265 3.960 -0.001 0.000 0.278 239 G C 0.482 175.395 174.900 0.021 0.000 1.307 239 G CA -0.358 44.743 45.100 0.002 0.000 1.016 239 G HN 0.360 nan 8.290 nan 0.000 0.503 240 N N -1.314 117.417 118.700 0.052 0.000 2.223 240 N HA -0.155 4.584 4.740 -0.001 0.000 0.185 240 N C 2.355 177.955 175.510 0.149 0.000 1.016 240 N CA 0.786 53.925 53.050 0.147 0.000 0.863 240 N CB -0.051 38.471 38.487 0.060 0.000 0.983 240 N HN 0.212 nan 8.380 nan 0.000 0.429 241 V N 1.473 121.424 119.914 0.062 0.000 2.287 241 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 241 V C 2.373 178.491 176.094 0.040 0.000 1.053 241 V CA 2.141 64.472 62.300 0.052 0.000 1.027 241 V CB -0.901 30.949 31.823 0.044 0.000 0.646 241 V HN 0.358 nan 8.190 nan 0.000 0.447 242 A N -0.402 122.424 122.820 0.010 0.000 1.843 242 A HA -0.035 4.284 4.320 -0.001 0.000 0.213 242 A C 2.188 179.695 177.584 -0.128 0.000 1.202 242 A CA 1.348 53.356 52.037 -0.049 0.000 0.607 242 A CB -0.642 18.330 19.000 -0.046 0.000 0.847 242 A HN 0.444 nan 8.150 nan 0.000 0.445 243 L N -1.916 119.207 121.223 -0.166 0.000 2.197 243 L HA -0.262 4.077 4.340 -0.001 0.000 0.215 243 L C 2.030 178.584 176.870 -0.528 0.000 1.095 243 L CA 1.472 56.091 54.840 -0.369 0.000 0.764 243 L CB -0.379 41.431 42.059 -0.414 0.000 0.897 243 L HN 0.588 nan 8.230 nan 0.000 0.436 244 Y N -3.678 116.570 120.300 -0.086 0.000 2.430 244 Y HA 0.007 4.556 4.550 -0.001 0.000 0.248 244 Y C 2.302 178.204 175.900 0.003 0.000 1.108 244 Y CA 0.038 58.137 58.100 -0.002 0.000 1.264 244 Y CB -0.181 38.271 38.460 -0.014 0.000 1.172 244 Y HN 0.161 nan 8.280 nan 0.000 0.520 245 C N -0.339 118.962 119.300 0.001 0.000 2.432 245 C HA -0.110 4.349 4.460 -0.001 0.000 0.277 245 C C 2.494 177.335 174.990 -0.250 0.000 1.249 245 C CA 1.304 60.223 59.018 -0.165 0.000 1.725 245 C CB -1.050 26.534 27.740 -0.261 0.000 2.028 245 C HN 0.357 nan 8.230 nan 0.000 0.477 246 V N 0.740 120.518 119.914 -0.228 0.000 2.295 246 V HA -0.268 3.851 4.120 -0.001 0.000 0.246 246 V C 2.617 178.630 176.094 -0.135 0.000 1.049 246 V CA 2.405 64.576 62.300 -0.214 0.000 1.024 246 V CB -1.104 30.552 31.823 -0.277 0.000 0.648 246 V HN 0.673 nan 8.190 nan 0.000 0.447 247 Q N -0.393 119.344 119.800 -0.106 0.000 2.234 247 Q HA -0.293 4.046 4.340 -0.001 0.000 0.206 247 Q C 2.147 178.164 176.000 0.028 0.000 0.980 247 Q CA 1.790 57.592 55.803 -0.002 0.000 0.869 247 Q CB 0.053 28.839 28.738 0.079 0.000 0.912 247 Q HN 0.466 nan 8.270 nan 0.000 0.436 248 K N -0.197 120.161 120.400 -0.069 0.000 2.242 248 K HA 0.088 4.407 4.320 -0.001 0.000 0.200 248 K C 1.778 178.309 176.600 -0.116 0.000 1.050 248 K CA 0.405 56.577 56.287 -0.192 0.000 0.981 248 K CB -0.015 32.174 32.500 -0.518 0.000 0.795 248 K HN 0.175 nan 8.250 nan 0.000 0.477 249 L N 0.422 121.561 121.223 -0.140 0.000 2.042 249 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 249 L C 2.057 178.914 176.870 -0.022 0.000 1.076 249 L CA 1.250 56.027 54.840 -0.105 0.000 0.749 249 L CB -0.401 41.559 42.059 -0.165 0.000 0.893 249 L HN 0.163 nan 8.230 nan 0.000 0.432 250 L N -1.458 119.769 121.223 0.006 0.000 2.093 250 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 250 L C 2.540 179.462 176.870 0.086 0.000 1.085 250 L CA 1.246 56.117 54.840 0.051 0.000 0.755 250 L CB -0.858 41.244 42.059 0.072 0.000 0.904 250 L HN 0.389 nan 8.230 nan 0.000 0.435 251 H N 0.506 119.548 119.070 -0.046 0.000 2.456 251 H HA -0.084 4.471 4.556 -0.001 0.000 0.296 251 H C 1.874 177.171 175.328 -0.051 0.000 1.079 251 H CA 0.675 56.686 56.048 -0.061 0.000 1.322 251 H CB 0.305 30.020 29.762 -0.078 0.000 1.388 251 H HN 0.293 nan 8.280 nan 0.000 0.538 252 L N 0.311 121.521 121.223 -0.022 0.000 2.611 252 L HA 0.028 4.367 4.340 -0.001 0.000 0.229 252 L C 0.146 177.000 176.870 -0.028 0.000 1.137 252 L CA 0.038 54.832 54.840 -0.076 0.000 0.901 252 L CB 0.149 42.170 42.059 -0.063 0.000 1.098 252 L HN 0.384 nan 8.230 nan 0.000 0.456 253 N N -1.343 117.360 118.700 0.005 0.000 2.901 253 N HA -0.131 4.608 4.740 -0.001 0.000 0.248 253 N C -0.062 175.457 175.510 0.016 0.000 1.044 253 N CA 0.366 53.423 53.050 0.011 0.000 0.847 253 N CB -1.614 36.872 38.487 -0.001 0.000 1.127 253 N HN 0.075 nan 8.380 nan 0.000 0.562 254 V N 1.432 121.358 119.914 0.020 0.000 2.555 254 V HA 0.092 4.211 4.120 -0.001 0.000 0.286 254 V C 1.065 177.186 176.094 0.044 0.000 1.044 254 V CA -0.257 62.063 62.300 0.035 0.000 1.026 254 V CB 1.601 33.451 31.823 0.044 0.000 0.981 254 V HN 0.094 nan 8.190 nan 0.000 0.480 255 K N 4.269 124.697 120.400 0.047 0.000 2.285 255 K HA 0.450 4.769 4.320 -0.001 0.000 0.286 255 K C -1.114 175.530 176.600 0.073 0.000 1.072 255 K CA -0.399 55.914 56.287 0.044 0.000 0.913 255 K CB 1.023 33.532 32.500 0.015 0.000 1.067 255 K HN 0.527 nan 8.250 nan 0.000 0.479 256 V N 7.298 127.281 119.914 0.114 0.000 2.370 256 V HA 0.157 4.276 4.120 -0.001 0.000 0.283 256 V C 0.907 177.103 176.094 0.171 0.000 1.023 256 V CA -0.556 61.861 62.300 0.195 0.000 0.857 256 V CB 1.255 33.225 31.823 0.246 0.000 0.985 256 V HN 0.807 nan 8.190 nan 0.000 0.443 257 L N 3.470 124.742 121.223 0.081 0.000 2.477 257 L HA 0.212 4.551 4.340 -0.001 0.000 0.220 257 L C 1.032 177.918 176.870 0.026 0.000 1.106 257 L CA 0.483 55.223 54.840 -0.167 0.000 0.851 257 L CB -0.137 41.854 42.059 -0.113 0.000 0.994 257 L HN 0.841 nan 8.230 nan 0.000 0.462 258 T N -2.080 112.739 114.554 0.441 0.000 2.865 258 T HA 0.739 5.088 4.350 -0.001 0.000 0.294 258 T C -0.838 174.102 174.700 0.399 0.000 1.119 258 T CA -0.669 61.754 62.100 0.537 0.000 1.007 258 T CB 2.525 71.618 68.868 0.375 0.000 1.225 258 T HN -0.076 nan 8.240 nan 0.000 0.515 259 L N 1.547 122.933 121.223 0.271 0.000 2.549 259 L HA 0.599 4.938 4.340 -0.001 0.000 0.259 259 L C -0.241 176.689 176.870 0.100 0.000 0.934 259 L CA -0.875 53.972 54.840 0.012 0.000 0.865 259 L CB 2.585 44.481 42.059 -0.271 0.000 1.352 259 L HN 1.109 nan 8.230 nan 0.000 0.410 260 S N 0.490 116.217 115.700 0.045 0.000 2.766 260 S HA 0.857 5.326 4.470 -0.001 0.000 0.307 260 S C -1.230 173.415 174.600 0.075 0.000 1.121 260 S CA -0.560 57.699 58.200 0.098 0.000 0.980 260 S CB 2.906 66.116 63.200 0.017 0.000 1.159 260 S HN 0.676 nan 8.310 nan 0.000 0.546 261 D N -1.503 118.966 120.400 0.116 0.000 2.683 261 D HA 0.264 4.903 4.640 -0.001 0.000 0.246 261 D C 1.006 177.379 176.300 0.122 0.000 1.238 261 D CA 0.161 54.218 54.000 0.096 0.000 0.759 261 D CB 1.697 42.545 40.800 0.082 0.000 1.349 261 D HN 0.560 nan 8.370 nan 0.000 0.426 262 S N 2.155 117.915 115.700 0.099 0.000 2.400 262 S HA -0.279 4.190 4.470 -0.001 0.000 0.234 262 S C 1.244 175.917 174.600 0.122 0.000 1.049 262 S CA 1.814 60.075 58.200 0.101 0.000 1.039 262 S CB -0.332 62.918 63.200 0.083 0.000 0.856 262 S HN 0.525 nan 8.310 nan 0.000 0.465 263 N N 1.340 120.131 118.700 0.151 0.000 2.368 263 N HA 0.429 5.169 4.740 -0.001 0.000 0.176 263 N C 0.734 176.414 175.510 0.284 0.000 1.021 263 N CA 0.945 54.113 53.050 0.197 0.000 0.888 263 N CB 0.443 39.055 38.487 0.209 0.000 0.995 263 N HN 0.672 nan 8.380 nan 0.000 0.437 264 G N -1.340 107.681 108.800 0.367 0.000 2.340 264 G HA2 0.367 4.326 3.960 -0.001 0.000 0.299 264 G HA3 0.367 4.326 3.960 -0.001 0.000 0.299 264 G C -2.199 173.026 174.900 0.543 0.000 1.291 264 G CA -0.818 44.557 45.100 0.459 0.000 0.841 264 G HN 0.139 nan 8.290 nan 0.000 0.500 265 Y N -0.993 119.531 120.300 0.374 0.000 2.406 265 Y HA 0.791 5.341 4.550 -0.001 0.000 0.340 265 Y C -0.221 175.930 175.900 0.418 0.000 0.975 265 Y CA -1.425 56.829 58.100 0.257 0.000 1.056 265 Y CB 1.662 40.146 38.460 0.040 0.000 1.210 265 Y HN 0.702 nan 8.280 nan 0.000 0.448 266 V N 4.792 124.868 119.914 0.271 0.000 3.336 266 V HA 0.466 4.585 4.120 -0.001 0.000 0.304 266 V C -1.524 174.790 176.094 0.367 0.000 1.073 266 V CA -0.353 62.135 62.300 0.313 0.000 1.074 266 V CB 1.578 33.615 31.823 0.357 0.000 1.161 266 V HN 0.883 nan 8.190 nan 0.000 0.460 267 Y N 1.357 121.775 120.300 0.197 0.000 2.482 267 Y HA 0.553 5.102 4.550 -0.002 0.000 0.334 267 Y C -0.814 175.054 175.900 -0.053 0.000 1.091 267 Y CA -0.816 57.325 58.100 0.067 0.000 1.027 267 Y CB 1.865 40.349 38.460 0.041 0.000 1.306 267 Y HN 0.597 nan 8.280 nan 0.000 0.446 268 E N 7.521 127.212 120.200 -0.850 0.000 2.186 268 E HA 0.278 4.627 4.350 -0.001 0.000 0.255 268 E C -2.340 173.713 176.600 -0.912 0.000 0.881 268 E CA -2.083 53.841 56.400 -0.793 0.000 0.752 268 E CB 1.972 31.043 29.700 -1.048 0.000 1.176 268 E HN 0.505 nan 8.360 nan 0.000 0.421 269 P HA -0.194 nan 4.420 nan 0.000 0.215 269 P C 1.101 178.236 177.300 -0.275 0.000 1.163 269 P CA 1.546 64.402 63.100 -0.406 0.000 0.894 269 P CB 0.413 32.058 31.700 -0.092 0.000 0.791 270 N N -1.642 116.930 118.700 -0.214 0.000 2.333 270 N HA 0.084 4.823 4.740 -0.001 0.000 0.178 270 N C 0.394 175.806 175.510 -0.163 0.000 1.018 270 N CA 0.683 53.650 53.050 -0.138 0.000 0.882 270 N CB 0.300 38.735 38.487 -0.087 0.000 0.984 270 N HN 0.102 nan 8.380 nan 0.000 0.434 271 G N -0.740 107.901 108.800 -0.265 0.000 2.335 271 G HA2 0.010 3.969 3.960 -0.001 0.000 0.592 271 G HA3 0.010 3.969 3.960 -0.001 0.000 0.592 271 G C -1.266 173.485 174.900 -0.248 0.000 1.442 271 G CA -0.965 43.980 45.100 -0.259 0.000 0.976 271 G HN 0.091 nan 8.290 nan 0.000 0.652 272 F N 0.523 120.453 119.950 -0.033 0.000 2.410 272 F HA 0.573 5.099 4.527 -0.002 0.000 0.334 272 F C 1.488 177.287 175.800 -0.001 0.000 1.134 272 F CA 0.313 58.306 58.000 -0.011 0.000 1.227 272 F CB 1.483 40.447 39.000 -0.061 0.000 1.194 272 F HN 0.409 nan 8.300 nan 0.000 0.571 273 T N 0.401 115.084 114.554 0.215 0.000 2.943 273 T HA 0.112 4.461 4.350 -0.001 0.000 0.284 273 T C 0.787 175.547 174.700 0.101 0.000 1.015 273 T CA -0.303 61.870 62.100 0.122 0.000 1.042 273 T CB 1.176 70.093 68.868 0.080 0.000 1.055 273 T HN 0.632 nan 8.240 nan 0.000 0.500 274 H N 1.446 120.497 119.070 -0.031 0.000 2.289 274 H HA -0.100 4.455 4.556 -0.002 0.000 0.296 274 H C 2.147 177.397 175.328 -0.130 0.000 1.091 274 H CA 2.519 58.519 56.048 -0.080 0.000 1.274 274 H CB 0.195 29.903 29.762 -0.090 0.000 1.364 274 H HN 0.763 nan 8.280 nan 0.000 0.490 275 E N -0.133 119.997 120.200 -0.116 0.000 2.160 275 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 275 E C 1.687 178.071 176.600 -0.361 0.000 0.991 275 E CA 1.306 57.505 56.400 -0.334 0.000 0.810 275 E CB -0.110 29.408 29.700 -0.304 0.000 0.742 275 E HN 0.683 nan 8.360 nan 0.000 0.466 276 N N 0.727 119.386 118.700 -0.069 0.000 2.051 276 N HA -0.137 4.602 4.740 -0.001 0.000 0.192 276 N C 2.085 177.622 175.510 0.044 0.000 1.049 276 N CA 0.956 54.118 53.050 0.186 0.000 0.845 276 N CB -0.200 38.520 38.487 0.387 0.000 1.031 276 N HN 0.111 nan 8.380 nan 0.000 0.425 277 L N 1.783 122.949 121.223 -0.094 0.000 2.081 277 L HA -0.202 4.137 4.340 -0.001 0.000 0.212 277 L C 1.966 178.651 176.870 -0.308 0.000 1.080 277 L CA 1.673 56.336 54.840 -0.295 0.000 0.754 277 L CB -0.394 41.486 42.059 -0.298 0.000 0.893 277 L HN 0.291 nan 8.230 nan 0.000 0.433 278 E N -0.051 119.945 120.200 -0.340 0.000 2.031 278 E HA -0.246 4.103 4.350 -0.001 0.000 0.193 278 E C 2.108 178.592 176.600 -0.193 0.000 0.994 278 E CA 1.438 57.626 56.400 -0.353 0.000 0.800 278 E CB -0.612 28.808 29.700 -0.468 0.000 0.752 278 E HN 0.520 nan 8.360 nan 0.000 0.447 279 F N 1.047 120.862 119.950 -0.225 0.000 2.043 279 F HA -0.279 4.247 4.527 -0.001 0.000 0.297 279 F C 2.501 178.207 175.800 -0.158 0.000 1.121 279 F CA 0.571 58.395 58.000 -0.293 0.000 1.199 279 F CB -0.393 38.245 39.000 -0.603 0.000 0.968 279 F HN -0.010 nan 8.300 nan 0.000 0.478 280 L N 0.291 121.559 121.223 0.075 0.000 1.952 280 L HA -0.337 4.002 4.340 -0.001 0.000 0.231 280 L C 2.338 179.149 176.870 -0.098 0.000 1.088 280 L CA 1.718 56.518 54.840 -0.067 0.000 0.802 280 L CB -1.026 40.856 42.059 -0.294 0.000 0.903 280 L HN 0.250 nan 8.230 nan 0.000 0.439 281 I N -0.198 120.257 120.570 -0.192 0.000 2.077 281 I HA -0.414 3.755 4.170 -0.001 0.000 0.231 281 I C 2.148 178.206 176.117 -0.098 0.000 1.011 281 I CA 2.287 63.468 61.300 -0.200 0.000 1.304 281 I CB -0.446 37.352 38.000 -0.338 0.000 1.019 281 I HN 0.464 nan 8.210 nan 0.000 0.388 282 D N -0.055 120.298 120.400 -0.079 0.000 2.411 282 D HA -0.109 4.530 4.640 -0.001 0.000 0.226 282 D C 1.627 177.938 176.300 0.019 0.000 0.988 282 D CA 0.905 54.891 54.000 -0.023 0.000 0.938 282 D CB 0.116 40.902 40.800 -0.024 0.000 0.883 282 D HN 0.488 nan 8.370 nan 0.000 0.525 283 L N -1.326 119.912 121.223 0.026 0.000 2.598 283 L HA 0.109 4.448 4.340 -0.001 0.000 0.205 283 L C 2.208 179.099 176.870 0.036 0.000 1.054 283 L CA -0.263 54.611 54.840 0.055 0.000 0.934 283 L CB -0.010 42.121 42.059 0.119 0.000 1.704 283 L HN -0.298 nan 8.230 nan 0.000 0.491 284 K N 0.750 121.165 120.400 0.024 0.000 2.031 284 K HA -0.153 4.166 4.320 -0.001 0.000 0.205 284 K C 1.929 178.524 176.600 -0.008 0.000 1.049 284 K CA 1.561 57.853 56.287 0.007 0.000 0.939 284 K CB 0.136 32.633 32.500 -0.005 0.000 0.717 284 K HN 0.187 nan 8.250 nan 0.000 0.438 285 E N 0.450 120.636 120.200 -0.024 0.000 2.046 285 E HA -0.214 4.136 4.350 -0.001 0.000 0.190 285 E C 1.851 178.447 176.600 -0.007 0.000 0.982 285 E CA 1.054 57.443 56.400 -0.019 0.000 0.800 285 E CB 0.114 29.795 29.700 -0.031 0.000 0.756 285 E HN 0.124 nan 8.360 nan 0.000 0.449 286 E N 1.086 121.283 120.200 -0.005 0.000 2.118 286 E HA -0.184 4.165 4.350 -0.001 0.000 0.195 286 E C 1.658 178.263 176.600 0.008 0.000 0.992 286 E CA 1.322 57.724 56.400 0.003 0.000 0.804 286 E CB -0.005 29.699 29.700 0.007 0.000 0.741 286 E HN 0.109 nan 8.360 nan 0.000 0.458 287 K N 0.349 120.755 120.400 0.011 0.000 2.358 287 K HA 0.031 4.350 4.320 -0.001 0.000 0.197 287 K C -0.529 176.076 176.600 0.009 0.000 1.025 287 K CA 0.092 56.387 56.287 0.013 0.000 1.104 287 K CB 0.199 32.710 32.500 0.018 0.000 0.855 287 K HN -0.046 nan 8.250 nan 0.000 0.531 288 K N 0.907 121.310 120.400 0.005 0.000 3.451 288 K HA -0.194 4.125 4.320 -0.001 0.000 0.273 288 K C 0.367 176.969 176.600 0.004 0.000 0.944 288 K CA 0.385 56.675 56.287 0.004 0.000 0.734 288 K CB -1.661 30.843 32.500 0.007 0.000 1.437 288 K HN 0.517 nan 8.250 nan 0.000 0.454 289 G N 0.515 109.316 108.800 0.001 0.000 3.022 289 G HA2 0.502 4.461 3.960 -0.001 0.000 0.157 289 G HA3 0.502 4.461 3.960 -0.001 0.000 0.157 289 G C -0.428 174.467 174.900 -0.008 0.000 1.468 289 G CA -0.519 44.579 45.100 -0.004 0.000 1.058 289 G HN 0.259 nan 8.290 nan 0.000 0.581 290 R N -1.296 119.191 120.500 -0.021 0.000 2.673 290 R HA 0.366 4.705 4.340 -0.001 0.000 0.281 290 R C 0.816 177.077 176.300 -0.065 0.000 0.991 290 R CA -0.786 55.292 56.100 -0.035 0.000 0.896 290 R CB 2.422 32.698 30.300 -0.039 0.000 1.201 290 R HN 0.388 nan 8.270 nan 0.000 0.457 291 I N 2.295 122.820 120.570 -0.075 0.000 2.502 291 I HA -0.333 3.837 4.170 -0.001 0.000 0.258 291 I C 1.452 177.452 176.117 -0.194 0.000 1.172 291 I CA 1.712 62.958 61.300 -0.090 0.000 1.430 291 I CB 0.120 38.090 38.000 -0.050 0.000 1.086 291 I HN 0.562 nan 8.210 nan 0.000 0.440 292 K N 0.492 120.650 120.400 -0.405 0.000 1.991 292 K HA -0.239 4.080 4.320 -0.001 0.000 0.212 292 K C 1.782 178.253 176.600 -0.215 0.000 1.049 292 K CA 1.998 57.928 56.287 -0.595 0.000 0.932 292 K CB -0.422 31.767 32.500 -0.517 0.000 0.717 292 K HN 0.400 nan 8.250 nan 0.000 0.441 293 E N 0.254 120.375 120.200 -0.131 0.000 2.324 293 E HA -0.280 4.069 4.350 -0.001 0.000 0.205 293 E C 1.663 178.245 176.600 -0.031 0.000 1.031 293 E CA 1.284 57.633 56.400 -0.086 0.000 0.836 293 E CB -0.407 29.255 29.700 -0.063 0.000 0.742 293 E HN 0.405 nan 8.360 nan 0.000 0.491 294 Y N 1.064 121.319 120.300 -0.074 0.000 2.241 294 Y HA -0.217 4.333 4.550 -0.001 0.000 0.286 294 Y C 1.673 177.580 175.900 0.011 0.000 1.166 294 Y CA 0.915 59.039 58.100 0.041 0.000 1.203 294 Y CB 0.007 38.510 38.460 0.071 0.000 0.977 294 Y HN 0.012 nan 8.280 nan 0.000 0.529 295 L N 1.254 122.390 121.223 -0.145 0.000 2.784 295 L HA -0.151 4.188 4.340 -0.001 0.000 0.247 295 L C 0.441 177.152 176.870 -0.265 0.000 1.162 295 L CA 0.486 55.191 54.840 -0.224 0.000 0.881 295 L CB -0.546 41.448 42.059 -0.108 0.000 1.032 295 L HN 0.369 nan 8.230 nan 0.000 0.446 296 N N -1.276 117.204 118.700 -0.367 0.000 2.275 296 N HA 0.094 4.833 4.740 -0.001 0.000 0.236 296 N C 0.529 175.578 175.510 -0.767 0.000 1.154 296 N CA 0.110 52.869 53.050 -0.485 0.000 0.866 296 N CB 0.512 38.694 38.487 -0.509 0.000 1.093 296 N HN 0.398 nan 8.380 nan 0.000 0.515 297 H N -1.396 117.458 119.070 -0.361 0.000 1.829 297 H HA 0.114 4.669 4.556 -0.001 0.000 0.154 297 H C 0.012 175.192 175.328 -0.248 0.000 0.995 297 H CA -0.039 55.812 56.048 -0.329 0.000 0.966 297 H CB 0.197 29.758 29.762 -0.335 0.000 0.844 297 H HN -0.034 nan 8.280 nan 0.000 0.340 298 S N 2.674 118.128 115.700 -0.410 0.000 2.955 298 S HA 0.124 4.593 4.470 -0.001 0.000 0.294 298 S C 1.212 175.682 174.600 -0.217 0.000 1.198 298 S CA 0.144 58.134 58.200 -0.349 0.000 1.008 298 S CB -0.077 62.741 63.200 -0.637 0.000 1.279 298 S HN 0.437 nan 8.310 nan 0.000 0.508 299 S N 2.597 118.230 115.700 -0.112 0.000 2.507 299 S HA -0.091 4.378 4.470 -0.001 0.000 0.235 299 S C 1.717 176.290 174.600 -0.044 0.000 0.988 299 S CA 1.286 59.440 58.200 -0.076 0.000 0.944 299 S CB -0.399 62.772 63.200 -0.050 0.000 0.762 299 S HN 0.671 nan 8.310 nan 0.000 0.526 300 T N 1.200 115.732 114.554 -0.037 0.000 2.976 300 T HA 0.416 4.765 4.350 -0.001 0.000 0.257 300 T C 1.124 175.831 174.700 0.012 0.000 1.051 300 T CA 0.675 62.768 62.100 -0.011 0.000 1.141 300 T CB -0.725 68.136 68.868 -0.012 0.000 0.881 300 T HN 0.623 nan 8.240 nan 0.000 0.461 301 A N 1.730 124.559 122.820 0.015 0.000 2.227 301 A HA 0.521 4.840 4.320 -0.001 0.000 0.279 301 A C 0.007 177.684 177.584 0.155 0.000 1.367 301 A CA 0.157 52.260 52.037 0.110 0.000 0.824 301 A CB 0.042 19.183 19.000 0.235 0.000 1.214 301 A HN 0.741 nan 8.150 nan 0.000 0.514 302 K N -2.208 118.350 120.400 0.263 0.000 2.636 302 K HA 0.329 4.648 4.320 -0.001 0.000 0.268 302 K C -1.629 175.180 176.600 0.349 0.000 0.958 302 K CA -0.591 55.835 56.287 0.231 0.000 0.875 302 K CB 0.514 33.145 32.500 0.220 0.000 1.382 302 K HN 0.696 nan 8.250 nan 0.000 0.405 303 Y N 1.727 122.030 120.300 0.006 0.000 2.354 303 Y HA 0.550 5.099 4.550 -0.002 0.000 0.322 303 Y C -0.965 174.832 175.900 -0.171 0.000 1.253 303 Y CA -1.138 56.958 58.100 -0.007 0.000 1.272 303 Y CB 1.016 39.458 38.460 -0.030 0.000 1.255 303 Y HN 0.586 nan 8.280 nan 0.000 0.500 304 F N 4.486 124.020 119.950 -0.694 0.000 2.646 304 F HA 0.345 4.871 4.527 -0.001 0.000 0.336 304 F C -2.322 173.099 175.800 -0.632 0.000 1.437 304 F CA -2.638 54.997 58.000 -0.608 0.000 1.142 304 F CB 0.384 39.050 39.000 -0.558 0.000 1.530 304 F HN 0.366 nan 8.300 nan 0.000 0.591 305 P HA -0.242 nan 4.420 nan 0.000 0.259 305 P C -0.256 176.931 177.300 -0.188 0.000 1.111 305 P CA 0.881 63.661 63.100 -0.533 0.000 0.758 305 P CB 0.136 31.658 31.700 -0.297 0.000 0.693 306 N N 1.625 120.270 118.700 -0.092 0.000 2.717 306 N HA -0.238 4.501 4.740 -0.001 0.000 0.298 306 N C -0.222 175.333 175.510 0.074 0.000 1.128 306 N CA 1.330 54.401 53.050 0.036 0.000 0.778 306 N CB -0.704 37.803 38.487 0.033 0.000 0.972 306 N HN 0.617 nan 8.380 nan 0.000 0.573 307 E N 0.268 120.560 120.200 0.153 0.000 2.390 307 E HA 0.300 4.649 4.350 -0.001 0.000 0.280 307 E C -0.849 175.744 176.600 -0.011 0.000 0.992 307 E CA -0.798 55.688 56.400 0.143 0.000 0.790 307 E CB 1.979 31.868 29.700 0.314 0.000 1.248 307 E HN 0.126 nan 8.360 nan 0.000 0.447 308 K N 1.952 122.224 120.400 -0.213 0.000 2.211 308 K HA 0.254 4.573 4.320 -0.001 0.000 0.275 308 K C -2.003 174.014 176.600 -0.971 0.000 1.024 308 K CA -1.840 54.139 56.287 -0.514 0.000 0.887 308 K CB 1.226 33.590 32.500 -0.227 0.000 1.084 308 K HN 0.127 nan 8.250 nan 0.000 0.463 309 P HA -0.179 nan 4.420 nan 0.000 0.218 309 P C 0.136 177.007 177.300 -0.714 0.000 1.146 309 P CA 1.128 63.398 63.100 -1.383 0.000 0.813 309 P CB 0.038 31.127 31.700 -1.019 0.000 0.778 310 W N -0.387 120.777 121.300 -0.227 0.000 2.337 310 W HA -0.194 4.465 4.660 -0.001 0.000 0.272 310 W C 2.268 178.733 176.519 -0.091 0.000 1.203 310 W CA 0.366 57.651 57.345 -0.099 0.000 1.165 310 W CB -1.495 27.942 29.460 -0.039 0.000 1.133 310 W HN 0.020 nan 8.180 nan 0.000 0.571 311 G N 0.938 109.723 108.800 -0.024 0.000 2.556 311 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.215 311 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.215 311 G C 0.461 175.351 174.900 -0.017 0.000 1.258 311 G CA 0.870 45.955 45.100 -0.025 0.000 0.811 311 G HN -0.025 nan 8.290 nan 0.000 0.557 312 V N 3.301 123.161 119.914 -0.089 0.000 2.889 312 V HA -0.023 4.096 4.120 -0.001 0.000 0.293 312 V C -1.705 174.422 176.094 0.056 0.000 1.273 312 V CA -0.427 61.860 62.300 -0.021 0.000 1.365 312 V CB -0.037 31.804 31.823 0.030 0.000 0.837 312 V HN 0.256 nan 8.190 nan 0.000 0.492 313 P HA 0.481 nan 4.420 nan 0.000 0.274 313 P C -0.285 177.066 177.300 0.085 0.000 1.237 313 P CA -0.213 62.931 63.100 0.073 0.000 0.793 313 P CB 0.740 32.475 31.700 0.059 0.000 0.977 314 C N -1.737 117.606 119.300 0.072 0.000 3.263 314 C HA 0.597 5.056 4.460 -0.001 0.000 0.369 314 C C 1.097 176.107 174.990 0.034 0.000 1.634 314 C CA 0.398 59.456 59.018 0.067 0.000 1.143 314 C CB 0.790 28.588 27.740 0.096 0.000 1.910 314 C HN 0.593 nan 8.230 nan 0.000 0.425 315 T N -0.715 113.851 114.554 0.020 0.000 2.989 315 T HA 0.382 4.731 4.350 -0.001 0.000 0.250 315 T C -0.007 174.652 174.700 -0.068 0.000 0.981 315 T CA 0.174 62.264 62.100 -0.017 0.000 0.980 315 T CB -0.114 68.749 68.868 -0.008 0.000 1.133 315 T HN 0.729 nan 8.240 nan 0.000 0.489 316 L N 1.832 123.022 121.223 -0.055 0.000 2.372 316 L HA 0.830 5.169 4.340 -0.001 0.000 0.274 316 L C -0.782 175.964 176.870 -0.207 0.000 0.988 316 L CA -1.289 53.430 54.840 -0.201 0.000 0.833 316 L CB 1.807 43.808 42.059 -0.096 0.000 1.236 316 L HN 0.150 nan 8.230 nan 0.000 0.410 317 A N 3.155 125.770 122.820 -0.342 0.000 2.288 317 A HA 0.820 5.139 4.320 -0.001 0.000 0.320 317 A C -1.030 176.396 177.584 -0.264 0.000 1.217 317 A CA -0.252 51.731 52.037 -0.090 0.000 0.840 317 A CB 0.356 19.360 19.000 0.005 0.000 1.179 317 A HN 0.541 nan 8.150 nan 0.000 0.504 318 F N 3.469 123.543 119.950 0.207 0.000 2.307 318 F HA 0.352 4.878 4.527 -0.002 0.000 0.369 318 F C -2.385 173.596 175.800 0.301 0.000 1.076 318 F CA -2.301 55.793 58.000 0.157 0.000 1.149 318 F CB 1.642 40.703 39.000 0.101 0.000 1.410 318 F HN 0.308 nan 8.300 nan 0.000 0.481 319 P HA 0.146 nan 4.420 nan 0.000 0.275 319 P C -0.628 176.849 177.300 0.296 0.000 1.276 319 P CA -0.068 63.288 63.100 0.426 0.000 0.782 319 P CB 0.304 32.008 31.700 0.007 0.000 0.851 320 C N 3.189 122.671 119.300 0.302 0.000 3.236 320 C HA 0.692 5.151 4.460 -0.001 0.000 0.208 320 C C 1.207 176.288 174.990 0.151 0.000 1.879 320 C CA -0.161 58.968 59.018 0.186 0.000 1.262 320 C CB -0.600 27.230 27.740 0.151 0.000 2.186 320 C HN 0.514 nan 8.230 nan 0.000 0.552 321 A N 1.043 123.969 122.820 0.176 0.000 1.949 321 A HA 0.779 5.098 4.320 -0.001 0.000 0.200 321 A C 0.766 178.424 177.584 0.123 0.000 1.832 321 A CA 1.119 53.239 52.037 0.139 0.000 1.004 321 A CB 0.111 19.204 19.000 0.156 0.000 1.102 321 A HN 0.710 nan 8.150 nan 0.000 0.595 322 T N -2.672 111.970 114.554 0.146 0.000 2.787 322 T HA 0.522 4.871 4.350 -0.001 0.000 0.297 322 T C -1.081 173.696 174.700 0.129 0.000 1.221 322 T CA -0.663 61.511 62.100 0.123 0.000 1.006 322 T CB 1.012 69.950 68.868 0.118 0.000 1.328 322 T HN 0.271 nan 8.240 nan 0.000 0.509 323 Q N 1.494 121.365 119.800 0.118 0.000 2.311 323 Q HA 0.255 4.594 4.340 -0.001 0.000 0.272 323 Q C 0.075 176.133 176.000 0.097 0.000 1.012 323 Q CA -0.048 55.824 55.803 0.115 0.000 0.891 323 Q CB 0.240 29.050 28.738 0.121 0.000 1.201 323 Q HN 0.714 nan 8.270 nan 0.000 0.391 324 N N 1.837 120.588 118.700 0.085 0.000 2.776 324 N HA -0.228 4.511 4.740 -0.001 0.000 0.250 324 N C 0.243 175.805 175.510 0.086 0.000 1.112 324 N CA 0.948 54.035 53.050 0.062 0.000 0.733 324 N CB -0.763 37.749 38.487 0.042 0.000 1.097 324 N HN 0.735 nan 8.380 nan 0.000 0.558 325 D N 0.628 121.104 120.400 0.126 0.000 2.133 325 D HA -0.110 4.529 4.640 -0.001 0.000 0.192 325 D C 0.369 176.802 176.300 0.221 0.000 1.001 325 D CA 1.358 55.493 54.000 0.225 0.000 0.844 325 D CB 0.226 41.203 40.800 0.295 0.000 0.944 325 D HN 0.260 nan 8.370 nan 0.000 0.447 326 V N 1.864 121.767 119.914 -0.019 0.000 2.370 326 V HA 0.247 4.366 4.120 -0.001 0.000 0.279 326 V C 0.298 176.327 176.094 -0.110 0.000 1.029 326 V CA -0.508 61.641 62.300 -0.252 0.000 0.870 326 V CB 1.488 32.985 31.823 -0.543 0.000 0.984 326 V HN 0.251 nan 8.190 nan 0.000 0.451 327 D N 4.186 124.540 120.400 -0.077 0.000 2.358 327 D HA 0.187 4.826 4.640 -0.001 0.000 0.287 327 D C 1.136 177.349 176.300 -0.146 0.000 1.181 327 D CA -0.206 53.751 54.000 -0.073 0.000 1.103 327 D CB 0.481 41.267 40.800 -0.023 0.000 1.168 327 D HN 0.278 nan 8.370 nan 0.000 0.552 328 L N -0.852 120.295 121.223 -0.127 0.000 2.265 328 L HA 0.014 4.354 4.340 -0.001 0.000 0.195 328 L C 1.680 178.467 176.870 -0.137 0.000 1.083 328 L CA 0.650 55.387 54.840 -0.172 0.000 0.798 328 L CB -0.259 41.719 42.059 -0.135 0.000 0.989 328 L HN 0.242 nan 8.230 nan 0.000 0.472 329 D N -0.015 120.340 120.400 -0.074 0.000 2.149 329 D HA -0.279 4.360 4.640 -0.001 0.000 0.194 329 D C 2.025 178.313 176.300 -0.020 0.000 1.001 329 D CA 1.569 55.545 54.000 -0.039 0.000 0.849 329 D CB -0.099 40.695 40.800 -0.010 0.000 0.939 329 D HN 0.473 nan 8.370 nan 0.000 0.449 330 Q N 0.412 120.210 119.800 -0.004 0.000 2.084 330 Q HA -0.078 4.261 4.340 -0.001 0.000 0.202 330 Q C 2.219 178.226 176.000 0.012 0.000 0.978 330 Q CA 1.399 57.232 55.803 0.050 0.000 0.844 330 Q CB -0.156 28.627 28.738 0.075 0.000 0.898 330 Q HN 0.226 nan 8.270 nan 0.000 0.426 331 A N 0.959 123.709 122.820 -0.117 0.000 2.178 331 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 331 A C 1.704 179.230 177.584 -0.097 0.000 1.157 331 A CA 1.185 53.080 52.037 -0.237 0.000 0.689 331 A CB -0.136 18.398 19.000 -0.776 0.000 0.787 331 A HN 0.187 nan 8.150 nan 0.000 0.465 332 K N -0.728 119.636 120.400 -0.060 0.000 2.128 332 K HA 0.201 4.520 4.320 -0.001 0.000 0.202 332 K C 1.725 178.343 176.600 0.028 0.000 1.050 332 K CA 0.522 56.795 56.287 -0.023 0.000 0.966 332 K CB -0.211 32.268 32.500 -0.035 0.000 0.759 332 K HN 0.396 nan 8.250 nan 0.000 0.454 333 L N 1.014 122.265 121.223 0.046 0.000 1.955 333 L HA -0.228 4.111 4.340 -0.001 0.000 0.213 333 L C 2.288 179.211 176.870 0.089 0.000 1.072 333 L CA 1.374 56.253 54.840 0.066 0.000 0.755 333 L CB -0.545 41.563 42.059 0.082 0.000 0.888 333 L HN 0.115 nan 8.230 nan 0.000 0.432 334 L N -0.619 120.683 121.223 0.131 0.000 2.127 334 L HA -0.249 4.091 4.340 -0.001 0.000 0.211 334 L C 2.694 179.640 176.870 0.127 0.000 1.089 334 L CA 1.147 56.071 54.840 0.141 0.000 0.757 334 L CB -0.729 41.438 42.059 0.180 0.000 0.899 334 L HN 0.380 nan 8.230 nan 0.000 0.434 335 Q N 1.726 121.615 119.800 0.148 0.000 2.020 335 Q HA -0.234 4.105 4.340 -0.001 0.000 0.202 335 Q C 1.955 177.997 176.000 0.070 0.000 0.982 335 Q CA 2.140 58.019 55.803 0.125 0.000 0.838 335 Q CB -0.115 28.680 28.738 0.095 0.000 0.899 335 Q HN 0.697 nan 8.270 nan 0.000 0.423 336 K N -0.882 119.550 120.400 0.054 0.000 2.525 336 K HA 0.027 4.346 4.320 -0.001 0.000 0.192 336 K C 0.292 176.914 176.600 0.036 0.000 1.029 336 K CA 0.817 57.126 56.287 0.037 0.000 1.029 336 K CB 0.124 32.641 32.500 0.028 0.000 0.814 336 K HN 0.023 nan 8.250 nan 0.000 0.503 337 N N 0.459 119.186 118.700 0.045 0.000 2.234 337 N HA 0.133 4.872 4.740 -0.001 0.000 0.227 337 N C 0.214 175.744 175.510 0.034 0.000 1.151 337 N CA 0.515 53.590 53.050 0.041 0.000 0.865 337 N CB 1.540 40.058 38.487 0.051 0.000 1.066 337 N HN 0.421 nan 8.380 nan 0.000 0.515 338 G N 0.014 108.831 108.800 0.028 0.000 2.141 338 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.242 338 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.242 338 G C 0.166 175.067 174.900 0.002 0.000 0.982 338 G CA -0.088 45.020 45.100 0.014 0.000 0.662 338 G HN 0.459 nan 8.290 nan 0.000 0.527 339 C N 1.906 121.211 119.300 0.008 0.000 2.667 339 C HA 0.462 4.921 4.460 -0.001 0.000 0.392 339 C C 2.289 177.239 174.990 -0.067 0.000 1.332 339 C CA 0.256 59.255 59.018 -0.032 0.000 1.594 339 C CB -1.665 26.063 27.740 -0.020 0.000 2.345 339 C HN 0.561 nan 8.230 nan 0.000 0.594 340 I N 3.265 123.782 120.570 -0.089 0.000 3.783 340 I HA 0.366 4.535 4.170 -0.001 0.000 0.310 340 I C 0.122 176.154 176.117 -0.142 0.000 1.274 340 I CA 0.427 61.670 61.300 -0.095 0.000 1.294 340 I CB -0.108 37.845 38.000 -0.077 0.000 1.051 340 I HN 0.534 nan 8.210 nan 0.000 0.435 341 L N 1.762 122.858 121.223 -0.212 0.000 2.562 341 L HA 0.565 4.904 4.340 -0.001 0.000 0.266 341 L C -1.513 175.105 176.870 -0.419 0.000 0.949 341 L CA -0.560 54.120 54.840 -0.267 0.000 0.879 341 L CB 2.187 44.118 42.059 -0.213 0.000 1.278 341 L HN -0.192 nan 8.230 nan 0.000 0.404 342 V N 3.416 123.019 119.914 -0.518 0.000 2.481 342 V HA 0.734 4.853 4.120 -0.001 0.000 0.286 342 V C 0.614 176.366 176.094 -0.570 0.000 1.042 342 V CA -0.001 61.897 62.300 -0.670 0.000 0.928 342 V CB 1.522 32.771 31.823 -0.957 0.000 0.986 342 V HN 0.888 nan 8.190 nan 0.000 0.462 343 G N 3.154 111.636 108.800 -0.529 0.000 3.164 343 G HA2 0.435 4.394 3.960 -0.001 0.000 0.312 343 G HA3 0.435 4.394 3.960 -0.001 0.000 0.312 343 G C -0.438 174.369 174.900 -0.155 0.000 1.530 343 G CA -0.452 44.461 45.100 -0.311 0.000 1.079 343 G HN 0.707 nan 8.290 nan 0.000 0.527 344 E N 0.900 120.982 120.200 -0.196 0.000 2.529 344 E HA 0.217 4.566 4.350 -0.001 0.000 0.259 344 E C 1.130 177.756 176.600 0.043 0.000 0.966 344 E CA 0.532 56.885 56.400 -0.080 0.000 0.937 344 E CB 1.446 31.092 29.700 -0.091 0.000 0.923 344 E HN 0.493 nan 8.360 nan 0.000 0.468 345 G N 1.917 110.777 108.800 0.100 0.000 2.944 345 G HA2 0.360 4.319 3.960 -0.001 0.000 0.223 345 G HA3 0.360 4.319 3.960 -0.001 0.000 0.223 345 G C 0.197 175.150 174.900 0.089 0.000 1.071 345 G CA 0.544 45.716 45.100 0.120 0.000 0.806 345 G HN 0.570 nan 8.290 nan 0.000 0.538 346 A N -0.084 122.790 122.820 0.089 0.000 2.468 346 A HA 0.653 4.972 4.320 -0.001 0.000 0.270 346 A C -0.378 177.253 177.584 0.078 0.000 1.217 346 A CA -0.774 51.312 52.037 0.083 0.000 0.908 346 A CB 0.479 19.543 19.000 0.105 0.000 1.423 346 A HN 0.142 nan 8.150 nan 0.000 0.459 347 N N 0.819 119.570 118.700 0.085 0.000 2.497 347 N HA 0.306 5.045 4.740 -0.001 0.000 0.268 347 N C 0.304 175.896 175.510 0.137 0.000 1.171 347 N CA 0.036 53.150 53.050 0.106 0.000 0.948 347 N CB 0.005 38.560 38.487 0.114 0.000 1.069 347 N HN 0.692 nan 8.380 nan 0.000 0.460 348 M N 1.655 121.346 119.600 0.152 0.000 3.192 348 M HA -0.170 4.309 4.480 -0.001 0.000 0.163 348 M C -2.271 174.108 176.300 0.131 0.000 1.367 348 M CA -0.134 55.258 55.300 0.153 0.000 0.832 348 M CB -0.830 31.872 32.600 0.171 0.000 1.269 348 M HN 0.366 nan 8.290 nan 0.000 0.649 349 P HA 0.020 nan 4.420 nan 0.000 0.218 349 P C -0.164 177.186 177.300 0.083 0.000 1.152 349 P CA 1.179 64.339 63.100 0.100 0.000 0.826 349 P CB 0.396 32.141 31.700 0.075 0.000 0.790 350 S N -0.890 114.894 115.700 0.139 0.000 2.541 350 S HA 0.355 4.824 4.470 -0.001 0.000 0.283 350 S C 0.205 174.845 174.600 0.067 0.000 1.196 350 S CA -0.505 57.781 58.200 0.143 0.000 1.062 350 S CB 0.612 64.056 63.200 0.407 0.000 1.009 350 S HN -0.066 nan 8.310 nan 0.000 0.502 351 T N 1.978 116.523 114.554 -0.015 0.000 2.856 351 T HA 0.091 4.440 4.350 -0.001 0.000 0.306 351 T C 1.819 176.461 174.700 -0.097 0.000 1.062 351 T CA -0.521 61.545 62.100 -0.056 0.000 1.083 351 T CB 0.533 69.352 68.868 -0.080 0.000 0.984 351 T HN 0.421 nan 8.240 nan 0.000 0.542 352 V N 1.595 121.449 119.914 -0.101 0.000 2.546 352 V HA -0.178 3.941 4.120 -0.001 0.000 0.254 352 V C 2.040 178.038 176.094 -0.160 0.000 1.076 352 V CA 1.663 63.887 62.300 -0.127 0.000 1.087 352 V CB -0.619 31.132 31.823 -0.119 0.000 0.674 352 V HN 0.772 nan 8.190 nan 0.000 0.470 353 D N 0.886 121.189 120.400 -0.161 0.000 2.087 353 D HA -0.057 4.582 4.640 -0.001 0.000 0.201 353 D C 2.365 178.500 176.300 -0.275 0.000 0.980 353 D CA 1.692 55.579 54.000 -0.188 0.000 0.849 353 D CB -0.585 40.115 40.800 -0.166 0.000 1.001 353 D HN 0.400 nan 8.370 nan 0.000 0.452 354 A N 1.463 124.080 122.820 -0.339 0.000 1.915 354 A HA -0.238 4.081 4.320 -0.001 0.000 0.220 354 A C 2.433 179.628 177.584 -0.648 0.000 1.198 354 A CA 1.541 53.195 52.037 -0.638 0.000 0.647 354 A CB -1.074 17.601 19.000 -0.541 0.000 0.825 354 A HN 0.268 nan 8.150 nan 0.000 0.456 355 I N -0.441 119.926 120.570 -0.338 0.000 2.208 355 I HA -0.303 3.867 4.170 -0.001 0.000 0.245 355 I C 2.208 178.151 176.117 -0.290 0.000 1.097 355 I CA 1.732 62.776 61.300 -0.426 0.000 1.363 355 I CB -0.652 37.003 38.000 -0.575 0.000 1.051 355 I HN 0.339 nan 8.210 nan 0.000 0.413 356 N N 0.891 119.441 118.700 -0.251 0.000 2.106 356 N HA -0.146 4.593 4.740 -0.001 0.000 0.188 356 N C 1.688 177.105 175.510 -0.156 0.000 1.029 356 N CA 0.937 53.882 53.050 -0.176 0.000 0.848 356 N CB -0.513 37.877 38.487 -0.161 0.000 1.007 356 N HN 0.124 nan 8.380 nan 0.000 0.423 357 L N 0.376 121.454 121.223 -0.242 0.000 1.944 357 L HA -0.147 4.192 4.340 -0.001 0.000 0.218 357 L C 1.825 178.632 176.870 -0.106 0.000 1.075 357 L CA 1.640 56.338 54.840 -0.236 0.000 0.767 357 L CB -0.905 40.907 42.059 -0.412 0.000 0.890 357 L HN 0.150 nan 8.230 nan 0.000 0.434 358 F N -0.227 119.693 119.950 -0.050 0.000 2.027 358 F HA -0.368 4.158 4.527 -0.002 0.000 0.297 358 F C 2.475 178.267 175.800 -0.014 0.000 1.129 358 F CA 1.698 59.694 58.000 -0.006 0.000 1.195 358 F CB -0.564 38.485 39.000 0.081 0.000 0.960 358 F HN 0.047 nan 8.300 nan 0.000 0.485 359 K N -0.352 120.144 120.400 0.159 0.000 2.360 359 K HA -0.163 4.156 4.320 -0.001 0.000 0.201 359 K C 2.073 178.693 176.600 0.034 0.000 1.046 359 K CA 1.252 57.580 56.287 0.068 0.000 0.940 359 K CB -0.311 32.179 32.500 -0.016 0.000 0.748 359 K HN 0.119 nan 8.250 nan 0.000 0.465 360 S N 0.156 115.865 115.700 0.015 0.000 2.501 360 S HA 0.043 4.513 4.470 -0.001 0.000 0.220 360 S C 0.446 175.054 174.600 0.013 0.000 0.997 360 S CA -0.047 58.151 58.200 -0.004 0.000 0.919 360 S CB 0.152 63.330 63.200 -0.036 0.000 0.778 360 S HN 0.210 nan 8.310 nan 0.000 0.523 364 I N 2.373 122.989 120.570 0.077 0.000 2.337 364 I HA 0.264 4.433 4.170 -0.001 0.000 0.291 364 I C 0.873 177.006 176.117 0.027 0.000 1.046 364 I CA -0.360 60.957 61.300 0.028 0.000 1.324 364 I CB 0.891 38.910 38.000 0.031 0.000 1.409 364 I HN 0.087 nan 8.210 nan 0.000 0.494 365 I N 6.930 127.490 120.570 -0.016 0.000 2.978 365 I HA -0.219 3.950 4.170 -0.001 0.000 0.293 365 I C -0.343 175.777 176.117 0.005 0.000 1.218 365 I CA 0.857 62.175 61.300 0.030 0.000 1.393 365 I CB -0.350 37.644 38.000 -0.009 0.000 1.394 365 I HN 0.495 nan 8.210 nan 0.000 0.541 366 Y N 7.076 127.376 120.300 0.001 0.000 2.417 366 Y HA 0.303 4.852 4.550 -0.001 0.000 0.336 366 Y C -0.028 175.911 175.900 0.065 0.000 0.961 366 Y CA -0.607 57.483 58.100 -0.016 0.000 1.215 366 Y CB 0.859 39.341 38.460 0.036 0.000 1.120 366 Y HN 0.523 nan 8.280 nan 0.000 0.499 367 C N 9.058 128.208 119.300 -0.251 0.000 2.256 367 C HA 0.293 4.752 4.460 -0.001 0.000 0.333 367 C C -2.186 172.743 174.990 -0.102 0.000 1.183 367 C CA -1.827 57.190 59.018 -0.002 0.000 1.692 367 C CB -0.630 27.181 27.740 0.119 0.000 2.274 367 C HN 0.655 nan 8.230 nan 0.000 0.509 368 P HA 0.012 nan 4.420 nan 0.000 0.262 368 P C 0.959 178.246 177.300 -0.023 0.000 1.199 368 P CA 0.709 63.853 63.100 0.074 0.000 0.763 368 P CB 0.679 32.427 31.700 0.079 0.000 0.790 369 S N 4.281 119.989 115.700 0.013 0.000 2.406 369 S HA -0.322 4.148 4.470 -0.001 0.000 0.242 369 S C 1.557 176.135 174.600 -0.036 0.000 1.079 369 S CA 1.880 60.080 58.200 -0.000 0.000 1.133 369 S CB -0.547 62.683 63.200 0.051 0.000 1.005 369 S HN 0.436 nan 8.310 nan 0.000 0.443 370 K N 0.568 120.954 120.400 -0.023 0.000 2.228 370 K HA -0.169 4.151 4.320 -0.001 0.000 0.205 370 K C 2.091 178.630 176.600 -0.103 0.000 1.045 370 K CA 1.375 57.641 56.287 -0.035 0.000 0.931 370 K CB -0.302 32.191 32.500 -0.012 0.000 0.727 370 K HN 0.513 nan 8.250 nan 0.000 0.458 371 A N 1.057 123.755 122.820 -0.204 0.000 2.054 371 A HA 0.282 4.601 4.320 -0.001 0.000 0.221 371 A C 2.346 179.632 177.584 -0.497 0.000 1.587 371 A CA 0.689 52.466 52.037 -0.433 0.000 0.664 371 A CB -1.009 17.552 19.000 -0.731 0.000 1.248 371 A HN 0.170 nan 8.150 nan 0.000 0.527 372 A N 1.692 124.184 122.820 -0.546 0.000 1.929 372 A HA -0.285 4.034 4.320 -0.001 0.000 0.221 372 A C 1.592 179.146 177.584 -0.049 0.000 1.211 372 A CA 2.277 54.187 52.037 -0.212 0.000 0.657 372 A CB -1.047 17.952 19.000 -0.001 0.000 0.827 372 A HN 0.807 nan 8.150 nan 0.000 0.462 373 N N -0.679 117.991 118.700 -0.049 0.000 2.251 373 N HA 0.351 5.090 4.740 -0.001 0.000 0.217 373 N C 1.093 176.591 175.510 -0.020 0.000 1.124 373 N CA 0.751 53.797 53.050 -0.007 0.000 0.843 373 N CB 0.155 38.649 38.487 0.011 0.000 1.024 373 N HN 0.383 nan 8.380 nan 0.000 0.501 374 A N 0.823 123.616 122.820 -0.045 0.000 2.172 374 A HA 0.101 4.420 4.320 -0.001 0.000 0.216 374 A C 2.211 179.793 177.584 -0.002 0.000 1.154 374 A CA 1.085 53.103 52.037 -0.032 0.000 0.701 374 A CB -0.971 17.999 19.000 -0.050 0.000 0.789 374 A HN 0.424 nan 8.150 nan 0.000 0.465 375 G N -0.114 108.699 108.800 0.021 0.000 2.462 375 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.220 375 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.220 375 G C 1.444 176.344 174.900 0.000 0.000 1.121 375 G CA 1.175 46.300 45.100 0.042 0.000 0.758 375 G HN 0.639 nan 8.290 nan 0.000 0.559 376 G N 0.329 109.117 108.800 -0.020 0.000 2.418 376 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.217 376 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.217 376 G C 1.715 176.585 174.900 -0.050 0.000 1.158 376 G CA 1.201 46.273 45.100 -0.048 0.000 0.771 376 G HN 0.332 nan 8.290 nan 0.000 0.545 377 V N 1.358 121.251 119.914 -0.035 0.000 2.591 377 V HA -0.002 4.117 4.120 -0.001 0.000 0.249 377 V C 3.266 179.342 176.094 -0.030 0.000 1.053 377 V CA 1.550 63.829 62.300 -0.035 0.000 1.068 377 V CB -0.591 31.217 31.823 -0.025 0.000 0.689 377 V HN 0.468 nan 8.190 nan 0.000 0.462 378 A N 0.361 123.175 122.820 -0.010 0.000 1.892 378 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 378 A C 2.136 179.714 177.584 -0.010 0.000 1.188 378 A CA 2.012 54.055 52.037 0.010 0.000 0.631 378 A CB -0.508 18.518 19.000 0.043 0.000 0.822 378 A HN 0.394 nan 8.150 nan 0.000 0.447 379 I N -0.366 120.183 120.570 -0.034 0.000 2.761 379 I HA -0.082 4.087 4.170 -0.001 0.000 0.261 379 I C 2.570 178.617 176.117 -0.117 0.000 1.198 379 I CA 1.452 62.708 61.300 -0.073 0.000 1.482 379 I CB -0.950 36.994 38.000 -0.094 0.000 1.100 379 I HN 0.401 nan 8.210 nan 0.000 0.445 380 S N 0.999 116.638 115.700 -0.103 0.000 2.356 380 S HA -0.120 4.349 4.470 -0.001 0.000 0.223 380 S C 2.066 176.583 174.600 -0.139 0.000 1.032 380 S CA 1.760 59.886 58.200 -0.122 0.000 1.005 380 S CB -0.322 62.824 63.200 -0.091 0.000 0.867 380 S HN 0.519 nan 8.310 nan 0.000 0.449 381 G N 0.677 109.417 108.800 -0.100 0.000 2.511 381 G HA2 0.068 4.027 3.960 -0.001 0.000 0.217 381 G HA3 0.068 4.027 3.960 -0.001 0.000 0.217 381 G C 1.336 176.161 174.900 -0.125 0.000 1.133 381 G CA 0.204 45.246 45.100 -0.097 0.000 0.792 381 G HN 0.497 nan 8.290 nan 0.000 0.539 382 L N -0.139 121.003 121.223 -0.134 0.000 2.156 382 L HA 0.048 4.387 4.340 -0.001 0.000 0.208 382 L C 2.639 179.270 176.870 -0.398 0.000 1.095 382 L CA 0.891 55.604 54.840 -0.212 0.000 0.770 382 L CB -0.213 41.770 42.059 -0.128 0.000 0.914 382 L HN 0.311 nan 8.230 nan 0.000 0.439 383 E N 0.414 120.422 120.200 -0.320 0.000 2.047 383 E HA -0.215 4.135 4.350 -0.001 0.000 0.191 383 E C 2.385 178.753 176.600 -0.387 0.000 0.987 383 E CA 1.049 57.237 56.400 -0.353 0.000 0.799 383 E CB 0.047 29.572 29.700 -0.292 0.000 0.752 383 E HN 0.383 nan 8.360 nan 0.000 0.449 384 M N 0.091 119.460 119.600 -0.385 0.000 2.080 384 M HA -0.195 4.284 4.480 -0.001 0.000 0.260 384 M C 2.646 178.625 176.300 -0.534 0.000 1.068 384 M CA 1.411 56.361 55.300 -0.582 0.000 1.109 384 M CB -0.344 31.951 32.600 -0.508 0.000 1.342 384 M HN 0.098 nan 8.290 nan 0.000 0.405 385 S N 0.100 115.646 115.700 -0.256 0.000 2.353 385 S HA -0.226 4.243 4.470 -0.001 0.000 0.222 385 S C 1.794 176.328 174.600 -0.110 0.000 1.035 385 S CA 1.667 59.840 58.200 -0.045 0.000 1.025 385 S CB -0.192 62.995 63.200 -0.020 0.000 0.902 385 S HN 0.521 nan 8.310 nan 0.000 0.440 386 Q N 0.446 119.988 119.800 -0.431 0.000 2.084 386 Q HA -0.091 4.248 4.340 -0.001 0.000 0.202 386 Q C 2.111 178.022 176.000 -0.150 0.000 0.978 386 Q CA 1.730 57.262 55.803 -0.451 0.000 0.844 386 Q CB -0.358 27.931 28.738 -0.748 0.000 0.898 386 Q HN 0.696 nan 8.270 nan 0.000 0.426 387 N N -0.061 118.537 118.700 -0.169 0.000 2.142 387 N HA -0.087 4.652 4.740 -0.001 0.000 0.186 387 N C 1.577 177.200 175.510 0.189 0.000 1.023 387 N CA 0.708 53.733 53.050 -0.042 0.000 0.852 387 N CB -0.103 38.267 38.487 -0.196 0.000 0.998 387 N HN 0.157 nan 8.380 nan 0.000 0.424 388 F N 1.301 121.278 119.950 0.045 0.000 2.171 388 F HA -0.148 4.378 4.527 -0.001 0.000 0.300 388 F C 2.023 177.901 175.800 0.131 0.000 1.090 388 F CA 0.655 58.703 58.000 0.080 0.000 1.293 388 F CB 0.087 39.115 39.000 0.046 0.000 1.013 388 F HN 0.081 nan 8.300 nan 0.000 0.486 389 Q N -0.563 119.440 119.800 0.338 0.000 2.320 389 Q HA -0.030 4.310 4.340 -0.001 0.000 0.201 389 Q C -0.040 176.178 176.000 0.363 0.000 0.910 389 Q CA -0.311 55.674 55.803 0.303 0.000 0.946 389 Q CB 0.102 29.021 28.738 0.302 0.000 1.062 389 Q HN 0.276 nan 8.270 nan 0.000 0.503 390 F N 0.949 120.995 119.950 0.160 0.000 2.943 390 F HA -0.318 4.208 4.527 -0.001 0.000 0.258 390 F C -0.448 175.440 175.800 0.147 0.000 0.995 390 F CA 0.890 58.982 58.000 0.152 0.000 0.896 390 F CB -1.209 37.880 39.000 0.148 0.000 0.821 390 F HN 0.055 nan 8.300 nan 0.000 0.828 391 S N 0.220 115.962 115.700 0.070 0.000 2.697 391 S HA 0.744 5.213 4.470 -0.001 0.000 0.289 391 S C -1.399 173.228 174.600 0.046 0.000 1.149 391 S CA -0.358 57.896 58.200 0.090 0.000 0.850 391 S CB 1.715 65.080 63.200 0.275 0.000 1.151 391 S HN 0.522 nan 8.310 nan 0.000 0.491 392 H N 0.714 119.792 119.070 0.013 0.000 3.277 392 H HA 0.447 5.003 4.556 -0.002 0.000 0.329 392 H C -1.516 173.917 175.328 0.175 0.000 1.034 392 H CA -0.452 55.567 56.048 -0.049 0.000 1.530 392 H CB 0.035 29.751 29.762 -0.077 0.000 1.837 392 H HN 0.501 nan 8.280 nan 0.000 0.493 393 W N 3.127 124.204 121.300 -0.372 0.000 2.093 393 W HA 0.291 4.950 4.660 -0.002 0.000 0.352 393 W C 0.603 176.912 176.519 -0.351 0.000 1.294 393 W CA -0.557 56.623 57.345 -0.276 0.000 1.290 393 W CB -0.009 29.346 29.460 -0.175 0.000 1.149 393 W HN 0.574 nan 8.180 nan 0.000 0.606 394 T N -1.093 113.495 114.554 0.057 0.000 2.813 394 T HA 0.174 4.523 4.350 -0.001 0.000 0.297 394 T C 1.257 175.962 174.700 0.008 0.000 1.036 394 T CA -0.556 61.543 62.100 -0.001 0.000 1.044 394 T CB 1.178 70.052 68.868 0.010 0.000 0.993 394 T HN 0.488 nan 8.240 nan 0.000 0.535 395 R N 0.235 120.737 120.500 0.003 0.000 2.120 395 R HA -0.128 4.211 4.340 -0.001 0.000 0.234 395 R C 1.917 178.252 176.300 0.057 0.000 1.123 395 R CA 1.523 57.635 56.100 0.020 0.000 0.975 395 R CB -0.216 30.098 30.300 0.024 0.000 0.866 395 R HN 0.745 nan 8.270 nan 0.000 0.446 396 E N -0.535 119.694 120.200 0.048 0.000 2.028 396 E HA -0.113 4.236 4.350 -0.001 0.000 0.191 396 E C 1.956 178.580 176.600 0.040 0.000 0.988 396 E CA 1.883 58.312 56.400 0.049 0.000 0.799 396 E CB -0.486 29.229 29.700 0.025 0.000 0.755 396 E HN 0.205 nan 8.360 nan 0.000 0.447 397 T N 0.430 114.997 114.554 0.022 0.000 2.622 397 T HA -0.162 4.187 4.350 -0.001 0.000 0.266 397 T C 1.988 176.733 174.700 0.075 0.000 1.047 397 T CA 1.527 63.621 62.100 -0.011 0.000 1.159 397 T CB -0.446 68.367 68.868 -0.090 0.000 0.863 397 T HN -0.049 nan 8.240 nan 0.000 0.422 398 V N 1.963 121.983 119.914 0.176 0.000 2.282 398 V HA -0.230 3.889 4.120 -0.001 0.000 0.249 398 V C 2.455 178.644 176.094 0.158 0.000 1.057 398 V CA 2.184 64.615 62.300 0.219 0.000 1.032 398 V CB -0.620 31.286 31.823 0.137 0.000 0.645 398 V HN 0.508 nan 8.190 nan 0.000 0.447 399 D N -0.414 120.074 120.400 0.147 0.000 2.117 399 D HA -0.169 4.470 4.640 -0.001 0.000 0.197 399 D C 2.198 178.560 176.300 0.103 0.000 0.987 399 D CA 1.164 55.282 54.000 0.197 0.000 0.829 399 D CB -0.067 40.877 40.800 0.239 0.000 0.961 399 D HN 0.388 nan 8.370 nan 0.000 0.460 400 E N 0.558 120.784 120.200 0.044 0.000 2.077 400 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 400 E C 2.144 178.740 176.600 -0.008 0.000 0.989 400 E CA 0.788 57.176 56.400 -0.020 0.000 0.800 400 E CB -0.197 29.481 29.700 -0.036 0.000 0.746 400 E HN 0.466 nan 8.360 nan 0.000 0.452 401 K N 0.274 120.697 120.400 0.038 0.000 2.217 401 K HA -0.070 4.250 4.320 -0.001 0.000 0.202 401 K C 2.095 178.746 176.600 0.084 0.000 1.051 401 K CA 0.379 56.703 56.287 0.062 0.000 0.952 401 K CB -0.084 32.490 32.500 0.124 0.000 0.736 401 K HN 0.014 nan 8.250 nan 0.000 0.453 402 L N 2.117 123.406 121.223 0.111 0.000 2.007 402 L HA -0.122 4.217 4.340 -0.001 0.000 0.205 402 L C 1.712 178.654 176.870 0.119 0.000 1.073 402 L CA 1.842 56.772 54.840 0.151 0.000 0.744 402 L CB -0.519 41.680 42.059 0.232 0.000 0.898 402 L HN -0.060 nan 8.230 nan 0.000 0.435 403 K N -0.415 119.975 120.400 -0.016 0.000 2.127 403 K HA -0.234 4.085 4.320 -0.001 0.000 0.208 403 K C 2.120 178.665 176.600 -0.091 0.000 1.047 403 K CA 1.752 57.877 56.287 -0.271 0.000 0.927 403 K CB -0.234 31.929 32.500 -0.561 0.000 0.716 403 K HN 0.476 nan 8.250 nan 0.000 0.450 404 E N 0.912 121.090 120.200 -0.037 0.000 2.047 404 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 404 E C 2.087 178.719 176.600 0.053 0.000 0.987 404 E CA 0.976 57.377 56.400 0.001 0.000 0.799 404 E CB -0.031 29.669 29.700 0.001 0.000 0.752 404 E HN 0.263 nan 8.360 nan 0.000 0.449 405 I N 1.000 121.616 120.570 0.076 0.000 2.099 405 I HA -0.342 3.828 4.170 -0.001 0.000 0.239 405 I C 2.541 178.741 176.117 0.138 0.000 1.066 405 I CA 1.020 62.378 61.300 0.097 0.000 1.324 405 I CB -0.310 37.748 38.000 0.097 0.000 1.037 405 I HN 0.181 nan 8.210 nan 0.000 0.401 406 M N -0.029 119.675 119.600 0.174 0.000 2.195 406 M HA -0.247 4.232 4.480 -0.001 0.000 0.260 406 M C 2.296 178.795 176.300 0.331 0.000 1.066 406 M CA 1.631 57.097 55.300 0.277 0.000 1.089 406 M CB -1.592 31.205 32.600 0.329 0.000 1.377 406 M HN 0.281 nan 8.290 nan 0.000 0.411 407 R N 0.307 120.927 120.500 0.200 0.000 2.115 407 R HA -0.084 4.255 4.340 -0.001 0.000 0.226 407 R C 1.803 178.238 176.300 0.224 0.000 1.100 407 R CA 1.053 57.264 56.100 0.185 0.000 0.980 407 R CB 0.061 30.409 30.300 0.079 0.000 0.875 407 R HN 0.410 nan 8.270 nan 0.000 0.445 408 N N 0.632 119.433 118.700 0.169 0.000 2.250 408 N HA -0.093 4.646 4.740 -0.001 0.000 0.181 408 N C 1.868 177.475 175.510 0.162 0.000 1.017 408 N CA 1.071 54.200 53.050 0.133 0.000 0.866 408 N CB -0.032 38.509 38.487 0.091 0.000 0.985 408 N HN 0.264 nan 8.380 nan 0.000 0.429 409 I N 0.419 121.118 120.570 0.214 0.000 2.264 409 I HA -0.272 3.897 4.170 -0.001 0.000 0.248 409 I C 2.119 178.461 176.117 0.376 0.000 1.111 409 I CA 0.990 62.422 61.300 0.220 0.000 1.382 409 I CB -0.227 37.874 38.000 0.169 0.000 1.060 409 I HN -0.017 nan 8.210 nan 0.000 0.418 410 F N 1.588 121.775 119.950 0.394 0.000 2.146 410 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 410 F C 2.228 178.094 175.800 0.110 0.000 1.096 410 F CA 1.477 59.669 58.000 0.318 0.000 1.275 410 F CB -0.253 38.746 39.000 -0.002 0.000 1.008 410 F HN -0.102 nan 8.300 nan 0.000 0.480 411 I N 0.068 120.633 120.570 -0.009 0.000 2.179 411 I HA -0.296 3.873 4.170 -0.001 0.000 0.242 411 I C 2.687 178.722 176.117 -0.137 0.000 1.088 411 I CA 1.178 62.403 61.300 -0.126 0.000 1.357 411 I CB -1.028 36.978 38.000 0.010 0.000 1.051 411 I HN 0.208 nan 8.210 nan 0.000 0.409 412 A N 0.305 123.098 122.820 -0.044 0.000 1.845 412 A HA -0.245 4.074 4.320 -0.001 0.000 0.215 412 A C 2.504 180.050 177.584 -0.063 0.000 1.195 412 A CA 2.000 54.020 52.037 -0.029 0.000 0.616 412 A CB -1.360 17.648 19.000 0.014 0.000 0.832 412 A HN 0.541 nan 8.150 nan 0.000 0.443 413 C N -0.535 118.730 119.300 -0.058 0.000 2.393 413 C HA -0.124 4.335 4.460 -0.001 0.000 0.276 413 C C 3.269 178.153 174.990 -0.177 0.000 1.215 413 C CA 1.407 60.385 59.018 -0.067 0.000 1.743 413 C CB -1.497 26.258 27.740 0.024 0.000 2.044 413 C HN 0.635 nan 8.230 nan 0.000 0.464 414 S N 0.460 115.930 115.700 -0.384 0.000 2.354 414 S HA -0.193 4.276 4.470 -0.001 0.000 0.219 414 S C 1.668 176.095 174.600 -0.289 0.000 1.035 414 S CA 1.595 59.491 58.200 -0.507 0.000 1.037 414 S CB -0.505 62.178 63.200 -0.862 0.000 0.956 414 S HN 0.689 nan 8.310 nan 0.000 0.428 415 E N 1.594 121.660 120.200 -0.223 0.000 2.055 415 E HA -0.190 4.159 4.350 -0.001 0.000 0.209 415 E C 1.115 177.672 176.600 -0.072 0.000 1.036 415 E CA 1.134 57.459 56.400 -0.125 0.000 0.849 415 E CB -0.445 29.207 29.700 -0.079 0.000 0.767 415 E HN 0.354 nan 8.360 nan 0.000 0.461 416 N N 1.555 120.246 118.700 -0.015 0.000 2.861 416 N HA -0.161 4.578 4.740 -0.001 0.000 0.203 416 N C 1.264 176.842 175.510 0.114 0.000 1.537 416 N CA 0.352 53.469 53.050 0.111 0.000 0.981 416 N CB -0.179 38.375 38.487 0.111 0.000 1.179 416 N HN 0.147 nan 8.380 nan 0.000 0.455 417 L N 0.832 122.018 121.223 -0.062 0.000 3.051 417 L HA -0.465 3.874 4.340 -0.001 0.000 0.201 417 L C 2.026 178.852 176.870 -0.072 0.000 1.414 417 L CA 2.524 57.326 54.840 -0.063 0.000 0.780 417 L CB -0.851 41.155 42.059 -0.087 0.000 1.116 417 L HN 0.285 nan 8.230 nan 0.000 0.432 418 K N -2.201 118.132 120.400 -0.111 0.000 2.097 418 K HA -0.184 4.135 4.320 -0.001 0.000 0.206 418 K C 1.808 178.189 176.600 -0.365 0.000 1.049 418 K CA 2.123 58.259 56.287 -0.252 0.000 0.933 418 K CB -0.281 32.010 32.500 -0.349 0.000 0.717 418 K HN 0.638 nan 8.250 nan 0.000 0.442 419 Y N -0.705 119.574 120.300 -0.034 0.000 2.507 419 Y HA 0.042 4.591 4.550 -0.001 0.000 0.263 419 Y C 1.763 177.641 175.900 -0.037 0.000 1.093 419 Y CA 0.899 58.979 58.100 -0.034 0.000 1.285 419 Y CB 1.072 39.500 38.460 -0.053 0.000 1.115 419 Y HN 0.229 nan 8.280 nan 0.000 0.533 420 T N -4.755 109.850 114.554 0.084 0.000 3.087 420 T HA 0.192 4.541 4.350 -0.001 0.000 0.283 420 T C 0.606 175.318 174.700 0.019 0.000 0.956 420 T CA -0.323 61.802 62.100 0.043 0.000 0.894 420 T CB 0.208 69.094 68.868 0.030 0.000 1.160 420 T HN -0.067 nan 8.240 nan 0.000 0.532 421 K N 0.916 121.319 120.400 0.004 0.000 3.274 421 K HA -0.273 4.046 4.320 -0.001 0.000 0.305 421 K C 0.669 177.280 176.600 0.018 0.000 1.225 421 K CA 1.291 57.579 56.287 0.000 0.000 0.904 421 K CB -2.289 30.213 32.500 0.003 0.000 1.227 421 K HN 0.695 nan 8.250 nan 0.000 0.453 422 N N 0.723 119.437 118.700 0.024 0.000 2.409 422 N HA -0.105 4.634 4.740 -0.001 0.000 0.174 422 N C 1.184 176.738 175.510 0.073 0.000 1.037 422 N CA 0.877 53.961 53.050 0.057 0.000 0.898 422 N CB 0.131 38.652 38.487 0.057 0.000 1.010 422 N HN 0.196 nan 8.380 nan 0.000 0.445 423 K N -0.859 119.525 120.400 -0.026 0.000 3.539 423 K HA -0.285 4.034 4.320 -0.001 0.000 0.283 423 K C -0.633 175.698 176.600 -0.448 0.000 1.072 423 K CA 1.927 58.103 56.287 -0.184 0.000 1.092 423 K CB -1.709 30.737 32.500 -0.090 0.000 1.433 423 K HN 0.536 nan 8.250 nan 0.000 0.429 424 Y N -0.271 120.043 120.300 0.023 0.000 2.707 424 Y HA 0.300 4.849 4.550 -0.001 0.000 0.249 424 Y C -0.039 175.904 175.900 0.072 0.000 1.166 424 Y CA -0.346 57.789 58.100 0.058 0.000 1.184 424 Y CB 0.806 39.306 38.460 0.067 0.000 1.240 424 Y HN 0.105 nan 8.280 nan 0.000 0.547 425 D N 1.088 121.549 120.400 0.102 0.000 2.741 425 D HA 0.133 4.772 4.640 -0.001 0.000 0.233 425 D C 1.017 177.357 176.300 0.068 0.000 1.160 425 D CA 0.197 54.250 54.000 0.089 0.000 1.003 425 D CB -0.051 40.777 40.800 0.046 0.000 1.064 425 D HN 0.349 nan 8.370 nan 0.000 0.503 426 L N 0.933 122.230 121.223 0.125 0.000 2.191 426 L HA -0.159 4.180 4.340 -0.001 0.000 0.212 426 L C 2.406 179.343 176.870 0.111 0.000 1.103 426 L CA 0.819 55.741 54.840 0.136 0.000 0.769 426 L CB -0.292 41.929 42.059 0.270 0.000 0.908 426 L HN 0.356 nan 8.230 nan 0.000 0.438 427 Q N 0.202 120.076 119.800 0.124 0.000 2.124 427 Q HA -0.208 4.131 4.340 -0.001 0.000 0.202 427 Q C 2.252 178.248 176.000 -0.006 0.000 0.977 427 Q CA 1.810 57.661 55.803 0.080 0.000 0.850 427 Q CB 0.007 28.787 28.738 0.070 0.000 0.901 427 Q HN 0.537 nan 8.270 nan 0.000 0.429 428 A N -0.266 122.542 122.820 -0.021 0.000 1.903 428 A HA 0.089 4.408 4.320 -0.001 0.000 0.213 428 A C 2.233 179.776 177.584 -0.069 0.000 1.185 428 A CA 0.956 52.949 52.037 -0.072 0.000 0.628 428 A CB -1.024 17.938 19.000 -0.064 0.000 0.830 428 A HN 0.549 nan 8.150 nan 0.000 0.446 429 G N 0.152 108.933 108.800 -0.030 0.000 2.476 429 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.218 429 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.218 429 G C 1.759 176.640 174.900 -0.031 0.000 1.164 429 G CA 1.778 46.860 45.100 -0.029 0.000 0.768 429 G HN 0.773 nan 8.290 nan 0.000 0.560 430 A N 1.372 124.180 122.820 -0.021 0.000 1.851 430 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 430 A C 2.336 179.894 177.584 -0.044 0.000 1.195 430 A CA 2.194 54.216 52.037 -0.024 0.000 0.622 430 A CB -0.647 18.339 19.000 -0.022 0.000 0.831 430 A HN 0.376 nan 8.150 nan 0.000 0.444 431 N N 0.196 118.835 118.700 -0.101 0.000 2.025 431 N HA -0.116 4.623 4.740 -0.001 0.000 0.194 431 N C 1.608 177.035 175.510 -0.138 0.000 1.044 431 N CA 1.747 54.692 53.050 -0.175 0.000 0.851 431 N CB -0.604 37.713 38.487 -0.283 0.000 1.036 431 N HN 0.548 nan 8.380 nan 0.000 0.422 432 I N 0.579 121.037 120.570 -0.187 0.000 2.335 432 I HA -0.248 3.921 4.170 -0.001 0.000 0.251 432 I C 2.005 178.068 176.117 -0.090 0.000 1.129 432 I CA 1.106 62.270 61.300 -0.226 0.000 1.402 432 I CB -0.185 37.621 38.000 -0.323 0.000 1.069 432 I HN 0.124 nan 8.210 nan 0.000 0.424 433 A N 0.319 123.120 122.820 -0.032 0.000 1.984 433 A HA 0.133 4.452 4.320 -0.001 0.000 0.214 433 A C 2.379 179.984 177.584 0.035 0.000 1.173 433 A CA 1.058 53.100 52.037 0.009 0.000 0.673 433 A CB -0.900 18.106 19.000 0.011 0.000 0.830 433 A HN 0.401 nan 8.150 nan 0.000 0.453 434 G N -1.077 107.763 108.800 0.068 0.000 2.394 434 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.215 434 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.215 434 G C 1.455 176.472 174.900 0.195 0.000 1.165 434 G CA 1.083 46.261 45.100 0.129 0.000 0.784 434 G HN 0.455 nan 8.290 nan 0.000 0.535 435 F N 1.034 121.047 119.950 0.105 0.000 2.146 435 F HA 0.112 4.638 4.527 -0.002 0.000 0.298 435 F C 2.416 178.164 175.800 -0.086 0.000 1.096 435 F CA 0.903 58.964 58.000 0.101 0.000 1.275 435 F CB -0.113 38.866 39.000 -0.036 0.000 1.008 435 F HN -0.001 nan 8.300 nan 0.000 0.480 436 L N 0.557 121.775 121.223 -0.009 0.000 1.990 436 L HA -0.310 4.029 4.340 -0.001 0.000 0.213 436 L C 2.604 179.380 176.870 -0.157 0.000 1.072 436 L CA 2.186 56.934 54.840 -0.153 0.000 0.755 436 L CB -0.810 41.218 42.059 -0.051 0.000 0.889 436 L HN 0.163 nan 8.230 nan 0.000 0.432 437 K N -0.415 119.938 120.400 -0.079 0.000 2.152 437 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 437 K C 1.852 178.401 176.600 -0.085 0.000 1.048 437 K CA 1.242 57.499 56.287 -0.050 0.000 0.933 437 K CB 0.106 32.592 32.500 -0.024 0.000 0.721 437 K HN 0.121 nan 8.250 nan 0.000 0.447 438 V N 0.752 120.559 119.914 -0.177 0.000 2.255 438 V HA -0.178 3.942 4.120 -0.001 0.000 0.243 438 V C 2.372 178.336 176.094 -0.217 0.000 1.038 438 V CA 1.886 64.059 62.300 -0.210 0.000 1.008 438 V CB -0.625 30.998 31.823 -0.334 0.000 0.645 438 V HN 0.478 nan 8.190 nan 0.000 0.449 439 A N -0.245 122.279 122.820 -0.493 0.000 1.908 439 A HA -0.271 4.048 4.320 -0.001 0.000 0.218 439 A C 2.120 179.727 177.584 0.037 0.000 1.181 439 A CA 2.144 53.963 52.037 -0.364 0.000 0.627 439 A CB -0.546 17.976 19.000 -0.796 0.000 0.818 439 A HN 0.658 nan 8.150 nan 0.000 0.445 440 E N -0.245 119.976 120.200 0.034 0.000 2.017 440 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 440 E C 2.374 179.054 176.600 0.134 0.000 0.997 440 E CA 1.389 57.876 56.400 0.145 0.000 0.804 440 E CB -0.275 29.494 29.700 0.114 0.000 0.757 440 E HN 0.549 nan 8.360 nan 0.000 0.448 441 S N 0.404 116.161 115.700 0.095 0.000 2.368 441 S HA -0.262 4.207 4.470 -0.001 0.000 0.226 441 S C 1.773 176.487 174.600 0.190 0.000 1.044 441 S CA 1.670 59.937 58.200 0.112 0.000 1.062 441 S CB -0.542 62.707 63.200 0.083 0.000 0.931 441 S HN 0.348 nan 8.310 nan 0.000 0.440 442 Y N 2.104 122.469 120.300 0.108 0.000 2.081 442 Y HA -0.216 4.333 4.550 -0.001 0.000 0.280 442 Y C 1.968 178.006 175.900 0.230 0.000 1.163 442 Y CA 1.578 59.792 58.100 0.191 0.000 1.135 442 Y CB -0.585 37.909 38.460 0.058 0.000 0.970 442 Y HN 0.216 nan 8.280 nan 0.000 0.498 443 I N 0.258 120.954 120.570 0.210 0.000 2.208 443 I HA -0.326 3.844 4.170 -0.001 0.000 0.245 443 I C 2.216 178.398 176.117 0.109 0.000 1.097 443 I CA 1.974 63.378 61.300 0.174 0.000 1.363 443 I CB -0.539 37.592 38.000 0.217 0.000 1.051 443 I HN 0.322 nan 8.210 nan 0.000 0.413 444 E N 0.414 120.679 120.200 0.107 0.000 2.150 444 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 444 E C 2.156 178.788 176.600 0.054 0.000 0.985 444 E CA 0.862 57.308 56.400 0.077 0.000 0.814 444 E CB -0.083 29.659 29.700 0.071 0.000 0.752 444 E HN 0.575 nan 8.360 nan 0.000 0.466 445 Q N -0.212 119.630 119.800 0.069 0.000 2.378 445 Q HA 0.068 4.408 4.340 -0.001 0.000 0.205 445 Q C 0.726 176.768 176.000 0.069 0.000 0.954 445 Q CA 0.486 56.316 55.803 0.046 0.000 0.901 445 Q CB 0.544 29.317 28.738 0.059 0.000 0.981 445 Q HN 0.251 nan 8.270 nan 0.000 0.483 446 G N 0.161 109.000 108.800 0.066 0.000 2.566 446 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.599 446 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.599 446 G C -0.871 174.063 174.900 0.058 0.000 1.292 446 G CA -0.596 44.540 45.100 0.059 0.000 0.922 446 G HN 0.232 nan 8.290 nan 0.000 0.514 447 C N 2.287 121.616 119.300 0.047 0.000 2.459 447 C HA 0.712 5.171 4.460 -0.001 0.000 0.358 447 C C 0.523 175.613 174.990 0.167 0.000 1.162 447 C CA 0.116 59.150 59.018 0.026 0.000 1.559 447 C CB -2.972 24.768 27.740 0.001 0.000 2.132 447 C HN 1.293 nan 8.230 nan 0.000 0.536 448 F N 0.000 119.957 119.950 0.012 0.000 2.286 448 F HA 0.000 4.526 4.527 -0.002 0.000 0.279 448 F CA 0.000 58.045 58.000 0.075 0.000 1.383 448 F CB 0.000 39.031 39.000 0.052 0.000 1.145 448 F HN 0.000 nan 8.300 nan 0.000 0.574