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 3mjw_1_A DATA FIRST_RESID 143 DATA SEQUENCE MSEESQAFQR QLTALIGYDV TDVSNVHDDE LEFTRRGLVT PRMAEVASRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLW KKIANNCIFI VIHRSTTSQT IKVSPDDTPG DATA SEQUENCE AILQSFFTKM XXXXXXXXXX XXXXXQDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRHCLKNGEE IHVVLDTPPD PALDEVRKEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXCDRKFR VKIRGIDIPV XXXXXXXTVF VEANIQHGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXKVRLLY YVNLLLIDHR FLLRRGEYVL HMWQISXXXX DATA SEQUENCE XXXXFNADKL TSATNPDKEN SMSISILLDN XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XRAEMPNQLR KQLEAIIATD PLNPLTAEDK ELLWHFRYES LKHPKAYPKL DATA SEQUENCE FSSVKWGQQE IVAKTYQLLA RREVWDQSAL DVGLTMQLLD CNFSDENVRA DATA SEQUENCE IAVQKLESLE DDDVLHYLLQ LVQAVKFEPY HDSALARFLL KRGLRNKRIG DATA SEQUENCE HFLFWFLRSE IAQSRHYQQR FAVILEAYLR GCGTAMLHDF TQQVQVIEML DATA SEQUENCE QKVTLDIKSL SAEKYDVSSQ VISQLKQKLE NLQNSQLPES FRVPYDPGLK DATA SEQUENCE AGALAIEKCK VMASKKKPLW LEFKCADPTA LSNETIGIIF KHGDDLRQDM DATA SEQUENCE LILQILRIME SIWETESLDL CLLPYGCIST GDKIGMIEIV KDATTIAKIQ DATA SEQUENCE QXXXXXXXXF KDEVLNHWLK EKSPTEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MITETGNLFH IDFGHIXXXX XXXXXXXXXR VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SPHFQKFQDI CVKAYLALRH HTNLLIILFS MMLMTGMPQL DATA SEQUENCE TSKEDIEYIR DALTVGKNEE DAKKYFLDQI EVCRDKGWTV QFNWFLH 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 143 M HA 0.000 nan 4.480 nan 0.000 0.227 143 M C 0.000 176.315 176.300 0.025 0.000 1.140 143 M CA 0.000 55.313 55.300 0.021 0.000 0.988 143 M CB 0.000 32.608 32.600 0.013 0.000 1.302 144 S N -1.099 114.613 115.700 0.020 0.000 2.460 144 S HA 0.138 4.625 4.470 0.029 0.000 0.185 144 S C 1.434 176.048 174.600 0.023 0.000 0.908 144 S CA 1.444 59.655 58.200 0.019 0.000 0.894 144 S CB -0.045 63.163 63.200 0.013 0.000 0.855 144 S HN 0.781 nan 8.310 nan 0.000 0.574 145 E N 0.433 120.644 120.200 0.020 0.000 2.285 145 E HA -0.001 4.366 4.350 0.029 0.000 0.194 145 E C 1.784 178.404 176.600 0.033 0.000 0.997 145 E CA 0.361 56.774 56.400 0.022 0.000 0.845 145 E CB -0.019 29.691 29.700 0.015 0.000 0.782 145 E HN 0.402 nan 8.360 nan 0.000 0.491 146 E N 0.802 121.021 120.200 0.032 0.000 2.158 146 E HA -0.055 4.312 4.350 0.029 0.000 0.191 146 E C 2.098 178.745 176.600 0.078 0.000 0.982 146 E CA 0.942 57.365 56.400 0.038 0.000 0.823 146 E CB 0.105 29.812 29.700 0.011 0.000 0.766 146 E HN 0.246 nan 8.360 nan 0.000 0.468 147 S N 0.212 115.960 115.700 0.080 0.000 2.414 147 S HA -0.093 4.394 4.470 0.029 0.000 0.227 147 S C 2.149 176.820 174.600 0.118 0.000 1.022 147 S CA 1.469 59.746 58.200 0.128 0.000 0.958 147 S CB -0.400 62.854 63.200 0.090 0.000 0.797 147 S HN 0.282 nan 8.310 nan 0.000 0.493 148 Q N 0.302 120.144 119.800 0.070 0.000 2.172 148 Q HA 0.463 4.820 4.340 0.029 0.000 0.200 148 Q C 2.421 178.451 176.000 0.051 0.000 0.964 148 Q CA 1.706 57.535 55.803 0.044 0.000 0.855 148 Q CB -1.140 27.614 28.738 0.026 0.000 0.918 148 Q HN 0.944 nan 8.270 nan 0.000 0.444 149 A N -0.822 122.044 122.820 0.078 0.000 1.970 149 A HA 0.145 4.482 4.320 0.029 0.000 0.216 149 A C 2.051 179.723 177.584 0.146 0.000 1.170 149 A CA 1.207 53.295 52.037 0.085 0.000 0.645 149 A CB -0.433 18.612 19.000 0.075 0.000 0.816 149 A HN 0.731 nan 8.150 nan 0.000 0.447 150 F N -0.030 119.920 119.950 -0.001 0.000 2.206 150 F HA -0.137 4.408 4.527 0.029 0.000 0.298 150 F C 2.391 178.192 175.800 0.002 0.000 1.090 150 F CA 1.679 59.679 58.000 0.000 0.000 1.323 150 F CB 0.124 39.122 39.000 -0.003 0.000 1.028 150 F HN 0.305 nan 8.300 nan 0.000 0.492 151 Q N 0.951 120.673 119.800 -0.132 0.000 2.311 151 Q HA -0.062 4.295 4.340 0.029 0.000 0.203 151 Q C 2.334 178.252 176.000 -0.137 0.000 0.954 151 Q CA 1.675 57.342 55.803 -0.228 0.000 0.885 151 Q CB -0.171 28.495 28.738 -0.120 0.000 0.963 151 Q HN 0.377 nan 8.270 nan 0.000 0.471 152 R N 0.593 121.057 120.500 -0.059 0.000 2.075 152 R HA -0.105 4.252 4.340 0.029 0.000 0.232 152 R C 1.912 178.193 176.300 -0.032 0.000 1.126 152 R CA 1.695 57.774 56.100 -0.035 0.000 0.963 152 R CB -1.315 28.983 30.300 -0.003 0.000 0.858 152 R HN 0.622 nan 8.270 nan 0.000 0.435 153 Q N 0.044 119.834 119.800 -0.017 0.000 2.050 153 Q HA -0.047 4.310 4.340 0.029 0.000 0.202 153 Q C 2.313 178.289 176.000 -0.040 0.000 0.980 153 Q CA 1.642 57.450 55.803 0.008 0.000 0.840 153 Q CB -0.185 28.603 28.738 0.083 0.000 0.898 153 Q HN 0.617 nan 8.270 nan 0.000 0.424 154 L N 0.152 121.287 121.223 -0.147 0.000 2.079 154 L HA -0.198 4.159 4.340 0.029 0.000 0.210 154 L C 2.495 179.308 176.870 -0.094 0.000 1.081 154 L CA 1.581 56.322 54.840 -0.166 0.000 0.752 154 L CB -0.524 41.335 42.059 -0.334 0.000 0.896 154 L HN 0.291 nan 8.230 nan 0.000 0.433 155 T N -0.396 114.104 114.554 -0.091 0.000 2.788 155 T HA -0.135 4.233 4.350 0.029 0.000 0.268 155 T C 1.935 176.614 174.700 -0.036 0.000 1.044 155 T CA 1.247 63.308 62.100 -0.065 0.000 1.139 155 T CB -0.133 68.688 68.868 -0.078 0.000 0.867 155 T HN 0.458 nan 8.240 nan 0.000 0.454 156 A N 0.813 123.620 122.820 -0.021 0.000 1.968 156 A HA 0.149 4.487 4.320 0.029 0.000 0.217 156 A C 2.241 179.836 177.584 0.019 0.000 1.169 156 A CA 0.854 52.894 52.037 0.003 0.000 0.638 156 A CB -0.591 18.419 19.000 0.016 0.000 0.812 156 A HN 0.455 nan 8.150 nan 0.000 0.446 157 L N -0.665 120.572 121.223 0.024 0.000 2.109 157 L HA -0.080 4.278 4.340 0.029 0.000 0.207 157 L C 2.358 179.220 176.870 -0.013 0.000 1.086 157 L CA 0.929 55.809 54.840 0.066 0.000 0.760 157 L CB -0.350 41.775 42.059 0.110 0.000 0.910 157 L HN 0.379 nan 8.230 nan 0.000 0.437 158 I N -0.628 119.908 120.570 -0.057 0.000 2.286 158 I HA -0.100 4.088 4.170 0.029 0.000 0.245 158 I C 1.694 177.763 176.117 -0.080 0.000 1.104 158 I CA 1.108 62.336 61.300 -0.120 0.000 1.397 158 I CB -0.416 37.556 38.000 -0.047 0.000 1.072 158 I HN 0.456 nan 8.210 nan 0.000 0.417 159 G N 0.091 108.885 108.800 -0.010 0.000 2.157 159 G HA2 -0.313 3.664 3.960 0.029 0.000 0.239 159 G HA3 -0.313 3.664 3.960 0.029 0.000 0.239 159 G C -0.075 174.891 174.900 0.111 0.000 0.982 159 G CA 0.108 45.227 45.100 0.030 0.000 0.650 159 G HN 0.401 nan 8.290 nan 0.000 0.527 160 Y N -0.035 120.235 120.300 -0.051 0.000 2.552 160 Y HA 0.538 5.106 4.550 0.029 0.000 0.337 160 Y C -1.511 174.361 175.900 -0.047 0.000 1.094 160 Y CA -1.025 57.051 58.100 -0.040 0.000 1.028 160 Y CB 1.913 40.352 38.460 -0.036 0.000 1.321 160 Y HN 0.058 nan 8.280 nan 0.000 0.456 161 D N 3.443 123.363 120.400 -0.799 0.000 2.380 161 D HA 0.253 4.910 4.640 0.029 0.000 0.230 161 D C 0.692 176.757 176.300 -0.392 0.000 1.154 161 D CA -0.139 53.566 54.000 -0.491 0.000 0.859 161 D CB 1.264 41.811 40.800 -0.422 0.000 1.045 161 D HN 0.478 nan 8.370 nan 0.000 0.495 162 V N 1.616 121.509 119.914 -0.035 0.000 3.573 162 V HA 0.015 4.153 4.120 0.029 0.000 0.270 162 V C 1.461 177.567 176.094 0.020 0.000 1.221 162 V CA 1.373 63.733 62.300 0.101 0.000 1.163 162 V CB -0.870 31.007 31.823 0.090 0.000 0.847 162 V HN 0.630 nan 8.190 nan 0.000 0.468 163 T N -3.326 111.201 114.554 -0.045 0.000 3.044 163 T HA 0.106 4.474 4.350 0.029 0.000 0.250 163 T C 0.616 175.291 174.700 -0.042 0.000 1.081 163 T CA 0.344 62.423 62.100 -0.035 0.000 1.040 163 T CB -0.242 68.600 68.868 -0.045 0.000 0.962 163 T HN 0.495 nan 8.240 nan 0.000 0.506 164 D N 1.891 122.240 120.400 -0.085 0.000 2.414 164 D HA 0.202 4.859 4.640 0.029 0.000 0.242 164 D C 0.927 177.214 176.300 -0.021 0.000 1.129 164 D CA 0.294 54.244 54.000 -0.084 0.000 0.885 164 D CB 1.330 42.026 40.800 -0.173 0.000 1.198 164 D HN 0.184 nan 8.370 nan 0.000 0.437 165 V N 0.337 120.243 119.914 -0.014 0.000 3.276 165 V HA 0.191 4.328 4.120 0.029 0.000 0.319 165 V C 0.823 176.918 176.094 0.001 0.000 1.476 165 V CA 0.360 62.665 62.300 0.008 0.000 1.097 165 V CB -0.227 31.607 31.823 0.018 0.000 0.988 165 V HN 0.484 nan 8.190 nan 0.000 0.473 166 S N 0.200 115.891 115.700 -0.014 0.000 2.851 166 S HA 0.188 4.675 4.470 0.029 0.000 0.227 166 S C 0.771 175.355 174.600 -0.027 0.000 0.958 166 S CA 0.883 59.070 58.200 -0.022 0.000 0.990 166 S CB -0.814 62.364 63.200 -0.038 0.000 0.790 166 S HN 0.733 nan 8.310 nan 0.000 0.509 167 N N 0.126 118.816 118.700 -0.017 0.000 2.423 167 N HA 0.139 4.896 4.740 0.029 0.000 0.262 167 N C -0.522 174.951 175.510 -0.062 0.000 1.467 167 N CA 0.168 53.196 53.050 -0.036 0.000 0.847 167 N CB 0.995 39.467 38.487 -0.026 0.000 1.394 167 N HN 0.345 nan 8.380 nan 0.000 0.495 168 V N -1.613 118.270 119.914 -0.051 0.000 3.139 168 V HA 0.712 4.850 4.120 0.029 0.000 0.310 168 V C 0.220 176.285 176.094 -0.049 0.000 1.260 168 V CA -0.282 61.949 62.300 -0.115 0.000 1.064 168 V CB 1.872 33.683 31.823 -0.020 0.000 1.160 168 V HN 0.380 nan 8.190 nan 0.000 0.470 169 H N -0.859 118.285 119.070 0.123 0.000 3.474 169 H HA 0.435 5.008 4.556 0.029 0.000 0.259 169 H C -0.826 174.611 175.328 0.181 0.000 1.164 169 H CA 0.100 56.241 56.048 0.154 0.000 1.078 169 H CB 0.381 30.288 29.762 0.241 0.000 1.957 169 H HN 0.862 nan 8.280 nan 0.000 0.765 170 D N 0.908 121.522 120.400 0.357 0.000 2.946 170 D HA 0.005 4.662 4.640 0.029 0.000 0.337 170 D C -0.581 175.849 176.300 0.215 0.000 1.332 170 D CA -0.359 53.824 54.000 0.306 0.000 0.935 170 D CB 0.566 41.601 40.800 0.392 0.000 1.440 170 D HN 0.109 nan 8.370 nan 0.000 0.540 171 D N -1.223 119.320 120.400 0.238 0.000 2.891 171 D HA 0.090 4.748 4.640 0.029 0.000 0.312 171 D C 0.426 176.759 176.300 0.055 0.000 1.354 171 D CA -0.308 53.799 54.000 0.177 0.000 0.838 171 D CB 0.401 41.329 40.800 0.214 0.000 1.117 171 D HN 0.551 nan 8.370 nan 0.000 0.473 172 E N 0.425 120.526 120.200 -0.166 0.000 2.076 172 E HA -0.046 4.322 4.350 0.029 0.000 0.190 172 E C 1.853 178.458 176.600 0.007 0.000 0.979 172 E CA 0.237 56.299 56.400 -0.564 0.000 0.807 172 E CB 0.197 29.614 29.700 -0.472 0.000 0.761 172 E HN 0.279 nan 8.360 nan 0.000 0.454 173 L N 1.129 122.421 121.223 0.115 0.000 2.046 173 L HA -0.198 4.159 4.340 0.029 0.000 0.208 173 L C 2.559 179.474 176.870 0.076 0.000 1.077 173 L CA 1.074 55.965 54.840 0.086 0.000 0.747 173 L CB -0.402 41.670 42.059 0.021 0.000 0.896 173 L HN 0.156 nan 8.230 nan 0.000 0.432 174 E N -0.182 120.071 120.200 0.090 0.000 2.028 174 E HA -0.246 4.121 4.350 0.029 0.000 0.191 174 E C 2.026 178.696 176.600 0.116 0.000 0.988 174 E CA 1.227 57.682 56.400 0.092 0.000 0.799 174 E CB -0.594 29.168 29.700 0.104 0.000 0.755 174 E HN 0.370 nan 8.360 nan 0.000 0.447 175 F N 2.365 122.322 119.950 0.011 0.000 2.115 175 F HA -0.267 4.277 4.527 0.029 0.000 0.300 175 F C 2.314 178.137 175.800 0.039 0.000 1.092 175 F CA 1.966 59.989 58.000 0.038 0.000 1.245 175 F CB -0.316 38.704 39.000 0.034 0.000 0.995 175 F HN -0.051 nan 8.300 nan 0.000 0.481 176 T N 0.583 115.224 114.554 0.144 0.000 2.777 176 T HA -0.161 4.207 4.350 0.029 0.000 0.266 176 T C 1.982 176.671 174.700 -0.017 0.000 1.040 176 T CA 1.521 63.666 62.100 0.075 0.000 1.141 176 T CB -0.236 68.724 68.868 0.154 0.000 0.868 176 T HN 0.277 nan 8.240 nan 0.000 0.444 177 R N 0.875 121.373 120.500 -0.004 0.000 2.094 177 R HA -0.105 4.252 4.340 0.029 0.000 0.239 177 R C 2.673 178.945 176.300 -0.047 0.000 1.137 177 R CA 1.572 57.664 56.100 -0.014 0.000 0.943 177 R CB -0.256 30.044 30.300 0.000 0.000 0.850 177 R HN 0.294 nan 8.270 nan 0.000 0.433 178 R N -0.281 120.166 120.500 -0.088 0.000 2.096 178 R HA -0.055 4.302 4.340 0.029 0.000 0.235 178 R C 2.379 178.585 176.300 -0.157 0.000 1.127 178 R CA 1.395 57.426 56.100 -0.115 0.000 0.968 178 R CB -0.711 29.506 30.300 -0.138 0.000 0.861 178 R HN 0.372 nan 8.270 nan 0.000 0.440 179 G N 0.545 109.196 108.800 -0.248 0.000 2.402 179 G HA2 -0.177 3.800 3.960 0.029 0.000 0.216 179 G HA3 -0.177 3.800 3.960 0.029 0.000 0.216 179 G C 1.279 176.129 174.900 -0.084 0.000 1.162 179 G CA 0.326 45.291 45.100 -0.225 0.000 0.777 179 G HN 0.173 nan 8.290 nan 0.000 0.539 180 L N 0.975 122.172 121.223 -0.044 0.000 2.551 180 L HA -0.013 4.344 4.340 0.029 0.000 0.228 180 L C 2.708 179.579 176.870 0.003 0.000 1.153 180 L CA -0.285 54.557 54.840 0.002 0.000 0.851 180 L CB -0.211 41.863 42.059 0.025 0.000 0.959 180 L HN 0.065 nan 8.230 nan 0.000 0.451 181 V N -0.380 119.525 119.914 -0.014 0.000 2.233 181 V HA -0.330 3.807 4.120 0.029 0.000 0.247 181 V C 2.531 178.625 176.094 -0.000 0.000 1.050 181 V CA 2.518 64.815 62.300 -0.005 0.000 1.010 181 V CB -0.937 30.878 31.823 -0.013 0.000 0.637 181 V HN 0.465 nan 8.190 nan 0.000 0.444 182 T N 0.449 115.000 114.554 -0.004 0.000 2.624 182 T HA -0.174 4.193 4.350 0.029 0.000 0.268 182 T C 0.061 174.767 174.700 0.011 0.000 1.041 182 T CA 2.467 64.568 62.100 0.003 0.000 1.159 182 T CB -1.453 67.418 68.868 0.004 0.000 0.863 182 T HN 0.443 nan 8.240 nan 0.000 0.434 183 P HA -0.075 nan 4.420 nan 0.000 0.215 183 P C 1.586 178.899 177.300 0.022 0.000 1.157 183 P CA 1.170 64.287 63.100 0.028 0.000 0.874 183 P CB -0.053 31.672 31.700 0.041 0.000 0.790 184 R N -0.469 120.044 120.500 0.021 0.000 2.103 184 R HA -0.148 4.209 4.340 0.029 0.000 0.234 184 R C 2.276 178.577 176.300 0.001 0.000 1.132 184 R CA 2.281 58.392 56.100 0.018 0.000 0.925 184 R CB -0.703 29.609 30.300 0.020 0.000 0.842 184 R HN 0.079 nan 8.270 nan 0.000 0.430 185 M N -0.178 119.421 119.600 -0.001 0.000 2.149 185 M HA -0.145 4.353 4.480 0.029 0.000 0.261 185 M C 2.416 178.707 176.300 -0.015 0.000 1.064 185 M CA 1.696 56.990 55.300 -0.010 0.000 1.102 185 M CB -0.803 31.794 32.600 -0.006 0.000 1.369 185 M HN 0.305 nan 8.290 nan 0.000 0.408 186 A N 0.110 122.926 122.820 -0.007 0.000 1.898 186 A HA -0.175 4.162 4.320 0.029 0.000 0.216 186 A C 2.119 179.693 177.584 -0.016 0.000 1.181 186 A CA 1.996 54.029 52.037 -0.006 0.000 0.620 186 A CB -0.571 18.433 19.000 0.006 0.000 0.819 186 A HN 0.421 nan 8.150 nan 0.000 0.442 187 E N -0.086 120.103 120.200 -0.018 0.000 2.047 187 E HA -0.091 4.276 4.350 0.029 0.000 0.191 187 E C 1.899 178.456 176.600 -0.072 0.000 0.987 187 E CA 1.380 57.761 56.400 -0.033 0.000 0.799 187 E CB -0.473 29.214 29.700 -0.022 0.000 0.752 187 E HN 0.214 nan 8.360 nan 0.000 0.449 188 V N 1.181 121.050 119.914 -0.076 0.000 2.282 188 V HA -0.352 3.785 4.120 0.029 0.000 0.249 188 V C 2.410 178.442 176.094 -0.102 0.000 1.057 188 V CA 2.135 64.367 62.300 -0.113 0.000 1.032 188 V CB -1.178 30.597 31.823 -0.081 0.000 0.645 188 V HN 0.455 nan 8.190 nan 0.000 0.447 189 A N 0.522 123.304 122.820 -0.064 0.000 1.883 189 A HA -0.182 4.155 4.320 0.029 0.000 0.217 189 A C 2.054 179.607 177.584 -0.052 0.000 1.186 189 A CA 2.197 54.204 52.037 -0.050 0.000 0.624 189 A CB -0.617 18.365 19.000 -0.031 0.000 0.822 189 A HN 0.759 nan 8.150 nan 0.000 0.444 190 S N -0.225 115.445 115.700 -0.050 0.000 2.519 190 S HA 0.394 4.882 4.470 0.029 0.000 0.245 190 S C 0.124 174.692 174.600 -0.055 0.000 1.152 190 S CA -0.551 57.625 58.200 -0.040 0.000 1.175 190 S CB -0.495 62.692 63.200 -0.022 0.000 0.829 190 S HN 0.645 nan 8.310 nan 0.000 0.472 191 R N -0.173 120.272 120.500 -0.092 0.000 2.343 191 R HA 0.506 4.864 4.340 0.029 0.000 0.320 191 R C -1.229 175.028 176.300 -0.072 0.000 0.956 191 R CA -0.573 55.457 56.100 -0.117 0.000 0.836 191 R CB 0.383 30.511 30.300 -0.286 0.000 1.151 191 R HN 0.088 nan 8.270 nan 0.000 0.450 192 D N 4.942 125.334 120.400 -0.014 0.000 2.368 192 D HA 0.063 4.721 4.640 0.029 0.000 0.268 192 D C -1.476 174.855 176.300 0.052 0.000 1.298 192 D CA -1.651 52.359 54.000 0.016 0.000 0.938 192 D CB 1.226 42.044 40.800 0.031 0.000 1.101 192 D HN 0.391 nan 8.370 nan 0.000 0.509 193 P HA -0.176 nan 4.420 nan 0.000 0.216 193 P C 0.846 178.201 177.300 0.091 0.000 1.150 193 P CA 1.287 64.431 63.100 0.073 0.000 0.837 193 P CB 0.237 31.955 31.700 0.030 0.000 0.786 194 K N -0.565 119.861 120.400 0.043 0.000 2.007 194 K HA -0.011 4.327 4.320 0.029 0.000 0.206 194 K C 2.018 178.616 176.600 -0.002 0.000 1.047 194 K CA 1.115 57.404 56.287 0.004 0.000 0.937 194 K CB -0.728 31.767 32.500 -0.008 0.000 0.718 194 K HN 0.130 nan 8.250 nan 0.000 0.438 195 L N 0.175 121.420 121.223 0.037 0.000 2.362 195 L HA -0.157 4.200 4.340 0.029 0.000 0.219 195 L C 2.274 179.205 176.870 0.101 0.000 1.134 195 L CA 0.638 55.505 54.840 0.045 0.000 0.807 195 L CB -0.299 41.795 42.059 0.060 0.000 0.927 195 L HN 0.210 nan 8.230 nan 0.000 0.447 196 Y N 0.683 120.983 120.300 0.000 0.000 2.153 196 Y HA -0.130 4.438 4.550 0.029 0.000 0.289 196 Y C 2.524 178.456 175.900 0.055 0.000 1.119 196 Y CA 1.097 59.216 58.100 0.031 0.000 1.116 196 Y CB -0.391 38.078 38.460 0.015 0.000 1.004 196 Y HN 0.051 nan 8.280 nan 0.000 0.501 197 A N 0.073 122.865 122.820 -0.047 0.000 1.978 197 A HA -0.222 4.115 4.320 0.029 0.000 0.220 197 A C 2.101 179.613 177.584 -0.120 0.000 1.170 197 A CA 2.336 54.294 52.037 -0.133 0.000 0.636 197 A CB -0.768 18.182 19.000 -0.085 0.000 0.810 197 A HN 0.598 nan 8.150 nan 0.000 0.448 198 M N -0.802 118.649 119.600 -0.250 0.000 2.510 198 M HA 0.047 4.545 4.480 0.029 0.000 0.256 198 M C 0.401 176.381 176.300 -0.533 0.000 1.132 198 M CA 0.598 55.568 55.300 -0.550 0.000 1.105 198 M CB -0.071 32.123 32.600 -0.677 0.000 1.375 198 M HN 0.711 nan 8.290 nan 0.000 0.477 199 H N -0.660 118.361 119.070 -0.081 0.000 2.415 199 H HA -0.088 4.486 4.556 0.029 0.000 0.323 199 H C -2.513 172.871 175.328 0.093 0.000 1.035 199 H CA -0.259 55.779 56.048 -0.018 0.000 1.098 199 H CB -2.188 27.517 29.762 -0.095 0.000 1.575 199 H HN 0.199 nan 8.280 nan 0.000 0.387 200 P HA -0.092 nan 4.420 nan 0.000 0.261 200 P C 0.307 177.740 177.300 0.223 0.000 1.203 200 P CA 0.134 63.319 63.100 0.142 0.000 0.767 200 P CB 0.257 32.032 31.700 0.126 0.000 0.785 201 W N 6.457 127.805 121.300 0.081 0.000 2.481 201 W HA 0.343 5.020 4.660 0.028 0.000 0.320 201 W C -1.413 175.094 176.519 -0.019 0.000 1.209 201 W CA -0.424 56.964 57.345 0.072 0.000 1.400 201 W CB -0.001 29.537 29.460 0.130 0.000 1.361 201 W HN 0.091 nan 8.180 nan 0.000 0.456 202 V N 5.397 125.439 119.914 0.214 0.000 3.007 202 V HA 0.543 4.680 4.120 0.029 0.000 0.311 202 V C -0.238 175.831 176.094 -0.041 0.000 1.120 202 V CA -0.849 61.374 62.300 -0.128 0.000 0.980 202 V CB 2.301 33.938 31.823 -0.310 0.000 1.033 202 V HN 0.388 nan 8.190 nan 0.000 0.429 203 T N 0.847 115.324 114.554 -0.127 0.000 2.893 203 T HA 0.400 4.767 4.350 0.029 0.000 0.291 203 T C 0.379 175.024 174.700 -0.092 0.000 1.028 203 T CA -0.249 61.804 62.100 -0.080 0.000 0.995 203 T CB 1.755 70.569 68.868 -0.090 0.000 1.051 203 T HN 0.597 nan 8.240 nan 0.000 0.470 204 S N 2.105 117.768 115.700 -0.062 0.000 2.572 204 S HA 0.319 4.806 4.470 0.029 0.000 0.228 204 S C 0.890 175.462 174.600 -0.046 0.000 0.963 204 S CA -0.372 57.797 58.200 -0.053 0.000 0.939 204 S CB -0.218 62.959 63.200 -0.038 0.000 0.804 204 S HN 0.908 nan 8.310 nan 0.000 0.480 205 K N 2.431 122.797 120.400 -0.056 0.000 2.126 205 K HA 0.589 4.926 4.320 0.029 0.000 0.257 205 K C -2.412 174.155 176.600 -0.054 0.000 1.007 205 K CA -1.787 54.469 56.287 -0.050 0.000 0.928 205 K CB -1.259 31.206 32.500 -0.058 0.000 1.013 205 K HN 0.024 nan 8.250 nan 0.000 0.473 206 P HA 0.149 nan 4.420 nan 0.000 0.278 206 P C -0.490 176.747 177.300 -0.106 0.000 1.268 206 P CA -0.509 62.577 63.100 -0.024 0.000 0.813 206 P CB 0.280 31.987 31.700 0.013 0.000 1.180 207 L N 0.228 121.359 121.223 -0.153 0.000 2.356 207 L HA 0.490 4.848 4.340 0.029 0.000 0.277 207 L C -2.545 174.094 176.870 -0.386 0.000 0.996 207 L CA -2.304 52.288 54.840 -0.414 0.000 0.822 207 L CB 1.947 43.477 42.059 -0.881 0.000 1.256 207 L HN 0.193 nan 8.230 nan 0.000 0.413 208 P HA 0.048 nan 4.420 nan 0.000 0.268 208 P C 0.178 177.184 177.300 -0.490 0.000 1.208 208 P CA -0.054 62.680 63.100 -0.609 0.000 0.777 208 P CB 0.645 31.595 31.700 -1.249 0.000 0.875 209 E N 0.766 120.760 120.200 -0.343 0.000 2.049 209 E HA -0.265 4.102 4.350 0.029 0.000 0.198 209 E C 1.809 178.376 176.600 -0.055 0.000 1.007 209 E CA 1.777 58.145 56.400 -0.053 0.000 0.809 209 E CB -0.523 29.189 29.700 0.020 0.000 0.749 209 E HN 0.637 nan 8.360 nan 0.000 0.450 210 Y N -0.205 120.125 120.300 0.050 0.000 2.224 210 Y HA -0.107 4.461 4.550 0.029 0.000 0.289 210 Y C 1.957 177.854 175.900 -0.004 0.000 1.146 210 Y CA 0.637 58.743 58.100 0.010 0.000 1.182 210 Y CB -0.678 37.751 38.460 -0.051 0.000 0.983 210 Y HN -0.044 nan 8.280 nan 0.000 0.524 211 L N -1.898 119.234 121.223 -0.152 0.000 2.554 211 L HA 0.011 4.368 4.340 0.029 0.000 0.226 211 L C 1.636 178.409 176.870 -0.163 0.000 1.137 211 L CA 0.398 55.158 54.840 -0.134 0.000 0.863 211 L CB -0.426 41.489 42.059 -0.239 0.000 0.985 211 L HN 0.338 nan 8.230 nan 0.000 0.451 212 W N 1.080 122.311 121.300 -0.115 0.000 2.576 212 W HA -0.114 4.563 4.660 0.028 0.000 0.270 212 W C 2.752 179.244 176.519 -0.046 0.000 1.255 212 W CA 0.964 58.261 57.345 -0.080 0.000 1.314 212 W CB 0.233 29.641 29.460 -0.087 0.000 1.101 212 W HN 0.069 nan 8.180 nan 0.000 0.595 213 K N 0.858 121.385 120.400 0.211 0.000 2.025 213 K HA -0.164 4.173 4.320 0.029 0.000 0.207 213 K C 1.565 178.224 176.600 0.097 0.000 1.049 213 K CA 1.560 57.928 56.287 0.136 0.000 0.933 213 K CB -0.911 31.655 32.500 0.111 0.000 0.714 213 K HN 0.141 nan 8.250 nan 0.000 0.438 214 K N -0.728 119.712 120.400 0.066 0.000 2.074 214 K HA -0.069 4.268 4.320 0.029 0.000 0.209 214 K C 1.273 177.893 176.600 0.034 0.000 1.048 214 K CA 1.606 57.909 56.287 0.027 0.000 0.926 214 K CB -0.716 31.775 32.500 -0.016 0.000 0.713 214 K HN 0.508 nan 8.250 nan 0.000 0.444 215 I N 0.663 121.272 120.570 0.065 0.000 2.268 215 I HA 0.440 4.627 4.170 0.029 0.000 0.290 215 I C 0.641 176.846 176.117 0.146 0.000 1.125 215 I CA 0.012 61.367 61.300 0.091 0.000 1.236 215 I CB 0.212 38.269 38.000 0.095 0.000 1.469 215 I HN 0.181 nan 8.210 nan 0.000 0.512 216 A N 3.864 126.736 122.820 0.086 0.000 2.507 216 A HA 0.310 4.648 4.320 0.029 0.000 0.270 216 A C 0.860 178.468 177.584 0.040 0.000 1.318 216 A CA 0.377 52.454 52.037 0.066 0.000 0.924 216 A CB -0.462 18.565 19.000 0.045 0.000 1.061 216 A HN 0.951 nan 8.150 nan 0.000 0.516 217 N N -2.047 116.683 118.700 0.050 0.000 2.217 217 N HA 0.048 4.805 4.740 0.029 0.000 0.239 217 N C 0.364 175.895 175.510 0.035 0.000 1.330 217 N CA 0.501 53.569 53.050 0.029 0.000 0.838 217 N CB -1.009 37.491 38.487 0.021 0.000 1.287 217 N HN 0.602 nan 8.380 nan 0.000 0.498 218 N N 0.180 118.918 118.700 0.064 0.000 2.696 218 N HA -0.205 4.552 4.740 0.029 0.000 0.249 218 N C -0.083 175.466 175.510 0.065 0.000 1.090 218 N CA 1.246 54.345 53.050 0.080 0.000 0.716 218 N CB -2.391 36.116 38.487 0.033 0.000 1.020 218 N HN 0.742 nan 8.380 nan 0.000 0.548 219 C N -1.419 117.915 119.300 0.058 0.000 2.686 219 C HA 0.983 5.461 4.460 0.029 0.000 0.318 219 C C -0.067 174.934 174.990 0.019 0.000 1.160 219 C CA 0.011 59.047 59.018 0.030 0.000 1.396 219 C CB 0.719 28.470 27.740 0.017 0.000 1.924 219 C HN 1.769 nan 8.230 nan 0.000 0.471 220 I N 2.159 122.729 120.570 -0.001 0.000 2.533 220 I HA 0.850 5.037 4.170 0.029 0.000 0.290 220 I C -0.168 175.925 176.117 -0.039 0.000 1.056 220 I CA -0.505 60.780 61.300 -0.025 0.000 1.057 220 I CB 0.810 38.786 38.000 -0.039 0.000 1.240 220 I HN 1.234 nan 8.210 nan 0.000 0.423 221 F N 4.214 124.133 119.950 -0.052 0.000 2.413 221 F HA 0.828 5.372 4.527 0.029 0.000 0.359 221 F C 0.117 175.864 175.800 -0.088 0.000 1.122 221 F CA -0.528 57.435 58.000 -0.061 0.000 1.160 221 F CB 0.048 39.013 39.000 -0.059 0.000 1.146 221 F HN 1.949 nan 8.300 nan 0.000 0.514 222 I N 2.852 123.375 120.570 -0.078 0.000 2.406 222 I HA 0.731 4.919 4.170 0.029 0.000 0.290 222 I C -0.480 175.594 176.117 -0.071 0.000 0.999 222 I CA -1.547 59.701 61.300 -0.087 0.000 1.124 222 I CB 0.924 38.882 38.000 -0.070 0.000 1.289 222 I HN 0.740 nan 8.210 nan 0.000 0.441 223 V N 6.522 126.378 119.914 -0.097 0.000 2.394 223 V HA 0.634 4.772 4.120 0.029 0.000 0.282 223 V C -0.204 176.021 176.094 0.218 0.000 1.031 223 V CA -0.544 61.753 62.300 -0.004 0.000 0.881 223 V CB 0.815 32.568 31.823 -0.117 0.000 0.982 223 V HN 0.714 nan 8.190 nan 0.000 0.451 224 I N 4.885 125.579 120.570 0.207 0.000 2.441 224 I HA 0.567 4.754 4.170 0.029 0.000 0.295 224 I C -0.269 176.090 176.117 0.402 0.000 0.994 224 I CA -0.202 61.283 61.300 0.309 0.000 1.144 224 I CB 1.483 39.564 38.000 0.135 0.000 1.314 224 I HN 0.585 nan 8.210 nan 0.000 0.445 225 H N 3.936 123.044 119.070 0.063 0.000 2.622 225 H HA 0.970 5.544 4.556 0.029 0.000 0.363 225 H C -0.124 175.233 175.328 0.049 0.000 1.151 225 H CA -1.036 55.048 56.048 0.060 0.000 1.184 225 H CB 1.372 31.174 29.762 0.067 0.000 1.643 225 H HN 0.611 nan 8.280 nan 0.000 0.531 226 R N 0.585 121.180 120.500 0.158 0.000 2.523 226 R HA 0.626 4.984 4.340 0.029 0.000 0.278 226 R C 0.507 176.850 176.300 0.071 0.000 1.150 226 R CA -0.275 55.886 56.100 0.102 0.000 0.987 226 R CB 0.050 30.402 30.300 0.087 0.000 1.232 226 R HN 0.819 nan 8.270 nan 0.000 0.424 227 S N 0.223 115.959 115.700 0.060 0.000 4.158 227 S HA -0.250 4.237 4.470 0.029 0.000 0.553 227 S C 1.245 175.875 174.600 0.050 0.000 1.866 227 S CA 2.318 60.544 58.200 0.044 0.000 4.249 227 S CB -1.404 61.814 63.200 0.030 0.000 0.211 227 S HN 1.399 nan 8.310 nan 0.000 0.455 228 T N 1.728 116.305 114.554 0.039 0.000 3.087 228 T HA 0.300 4.668 4.350 0.029 0.000 0.283 228 T C 0.282 174.989 174.700 0.013 0.000 0.956 228 T CA 0.538 62.659 62.100 0.034 0.000 0.894 228 T CB 0.590 69.471 68.868 0.022 0.000 1.160 228 T HN 0.608 nan 8.240 nan 0.000 0.532 229 T N 2.735 117.297 114.554 0.014 0.000 2.788 229 T HA 0.327 4.694 4.350 0.029 0.000 0.333 229 T C 0.163 174.824 174.700 -0.065 0.000 1.090 229 T CA 0.268 62.363 62.100 -0.009 0.000 1.094 229 T CB 0.509 69.384 68.868 0.013 0.000 0.999 229 T HN 0.285 nan 8.240 nan 0.000 0.549 230 S N 0.704 116.348 115.700 -0.093 0.000 2.570 230 S HA 0.507 4.994 4.470 0.029 0.000 0.286 230 S C -1.851 172.687 174.600 -0.103 0.000 1.143 230 S CA -0.793 57.290 58.200 -0.194 0.000 0.921 230 S CB 1.739 64.776 63.200 -0.272 0.000 1.108 230 S HN 0.704 nan 8.310 nan 0.000 0.456 231 Q N 1.288 121.036 119.800 -0.086 0.000 2.534 231 Q HA 0.692 5.050 4.340 0.029 0.000 0.290 231 Q C -1.650 174.331 176.000 -0.031 0.000 0.991 231 Q CA -0.359 55.421 55.803 -0.038 0.000 0.783 231 Q CB 2.317 31.052 28.738 -0.007 0.000 1.470 231 Q HN 0.635 nan 8.270 nan 0.000 0.406 232 T N 1.319 115.859 114.554 -0.023 0.000 2.786 232 T HA 0.830 5.197 4.350 0.029 0.000 0.283 232 T C -0.475 174.216 174.700 -0.016 0.000 0.992 232 T CA 0.149 62.234 62.100 -0.026 0.000 0.954 232 T CB 0.562 69.412 68.868 -0.029 0.000 0.934 232 T HN 0.646 nan 8.240 nan 0.000 0.440 233 I N 0.769 121.329 120.570 -0.018 0.000 2.493 233 I HA 0.952 5.139 4.170 0.029 0.000 0.298 233 I C 0.240 176.346 176.117 -0.019 0.000 0.998 233 I CA -1.625 59.668 61.300 -0.013 0.000 1.137 233 I CB 0.317 38.312 38.000 -0.009 0.000 1.310 233 I HN 0.836 nan 8.210 nan 0.000 0.445 234 K N 4.434 124.826 120.400 -0.012 0.000 2.211 234 K HA 0.809 5.147 4.320 0.029 0.000 0.275 234 K C -0.799 175.796 176.600 -0.009 0.000 1.024 234 K CA -0.302 55.978 56.287 -0.012 0.000 0.887 234 K CB 1.022 33.519 32.500 -0.006 0.000 1.084 234 K HN 1.552 nan 8.250 nan 0.000 0.463 235 V N 0.591 120.499 119.914 -0.011 0.000 2.960 235 V HA 0.615 4.753 4.120 0.029 0.000 0.315 235 V C 0.447 176.546 176.094 0.008 0.000 1.087 235 V CA -1.076 61.220 62.300 -0.007 0.000 0.982 235 V CB 2.109 33.919 31.823 -0.022 0.000 1.039 235 V HN 0.880 nan 8.190 nan 0.000 0.437 236 S N 2.032 117.743 115.700 0.017 0.000 2.562 236 S HA 0.380 4.867 4.470 0.029 0.000 0.275 236 S C -1.653 172.976 174.600 0.048 0.000 1.281 236 S CA -1.297 56.926 58.200 0.038 0.000 1.045 236 S CB 1.439 64.662 63.200 0.038 0.000 0.962 236 S HN 0.594 nan 8.310 nan 0.000 0.503 237 P HA -0.059 nan 4.420 nan 0.000 0.218 237 P C 0.221 177.570 177.300 0.081 0.000 1.148 237 P CA 1.054 64.203 63.100 0.082 0.000 0.822 237 P CB 0.101 31.919 31.700 0.196 0.000 0.784 238 D N -1.237 119.219 120.400 0.094 0.000 2.328 238 D HA 0.032 4.689 4.640 0.029 0.000 0.226 238 D C 0.244 176.580 176.300 0.059 0.000 1.066 238 D CA 0.409 54.458 54.000 0.081 0.000 0.861 238 D CB -0.227 40.621 40.800 0.080 0.000 0.912 238 D HN 0.188 nan 8.370 nan 0.000 0.521 239 D N 0.180 120.609 120.400 0.048 0.000 2.384 239 D HA 0.192 4.849 4.640 0.029 0.000 0.244 239 D C 0.342 176.669 176.300 0.046 0.000 1.251 239 D CA 0.474 54.495 54.000 0.034 0.000 0.961 239 D CB 0.851 41.660 40.800 0.015 0.000 1.116 239 D HN -0.209 nan 8.370 nan 0.000 0.484 240 T N 0.306 114.880 114.554 0.033 0.000 2.908 240 T HA 0.310 4.677 4.350 0.029 0.000 0.290 240 T C -1.788 172.920 174.700 0.012 0.000 1.034 240 T CA -1.336 60.796 62.100 0.053 0.000 1.010 240 T CB 1.982 70.880 68.868 0.050 0.000 1.068 240 T HN 0.052 nan 8.240 nan 0.000 0.481 241 P HA -0.157 nan 4.420 nan 0.000 0.217 241 P C 1.636 178.908 177.300 -0.046 0.000 1.162 241 P CA 1.383 64.459 63.100 -0.041 0.000 0.901 241 P CB -0.077 31.633 31.700 0.016 0.000 0.793 242 G N -0.634 108.154 108.800 -0.019 0.000 2.422 242 G HA2 -0.210 3.767 3.960 0.029 0.000 0.218 242 G HA3 -0.210 3.767 3.960 0.029 0.000 0.218 242 G C 1.643 176.513 174.900 -0.050 0.000 1.146 242 G CA 0.993 46.069 45.100 -0.041 0.000 0.769 242 G HN 0.355 nan 8.290 nan 0.000 0.547 243 A N 0.880 123.684 122.820 -0.026 0.000 1.865 243 A HA 0.148 4.485 4.320 0.029 0.000 0.217 243 A C 2.790 180.351 177.584 -0.038 0.000 1.191 243 A CA 2.866 54.890 52.037 -0.022 0.000 0.623 243 A CB -0.967 18.031 19.000 -0.003 0.000 0.826 243 A HN 0.991 nan 8.150 nan 0.000 0.444 244 I N -0.762 119.780 120.570 -0.047 0.000 2.226 244 I HA -0.003 4.184 4.170 0.029 0.000 0.245 244 I C 2.559 178.624 176.117 -0.088 0.000 1.100 244 I CA 2.018 63.285 61.300 -0.056 0.000 1.374 244 I CB -1.254 36.710 38.000 -0.061 0.000 1.057 244 I HN 0.503 nan 8.210 nan 0.000 0.413 245 L N 0.132 121.274 121.223 -0.135 0.000 1.976 245 L HA -0.305 4.052 4.340 0.029 0.000 0.209 245 L C 3.300 179.984 176.870 -0.311 0.000 1.071 245 L CA 2.508 57.196 54.840 -0.254 0.000 0.746 245 L CB -0.726 41.157 42.059 -0.293 0.000 0.890 245 L HN 0.592 nan 8.230 nan 0.000 0.432 246 Q N -0.967 118.707 119.800 -0.211 0.000 2.181 246 Q HA -0.275 4.082 4.340 0.029 0.000 0.205 246 Q C 2.263 178.250 176.000 -0.022 0.000 0.980 246 Q CA 2.186 57.920 55.803 -0.115 0.000 0.862 246 Q CB -1.398 27.310 28.738 -0.049 0.000 0.905 246 Q HN 0.661 nan 8.270 nan 0.000 0.429 247 S N -1.240 114.443 115.700 -0.028 0.000 2.382 247 S HA -0.066 4.421 4.470 0.029 0.000 0.228 247 S C 1.932 176.556 174.600 0.040 0.000 1.027 247 S CA 2.026 60.231 58.200 0.008 0.000 0.991 247 S CB -0.828 62.370 63.200 -0.005 0.000 0.823 247 S HN 1.049 nan 8.310 nan 0.000 0.469 248 F N 0.301 120.271 119.950 0.033 0.000 2.128 248 F HA 0.169 4.714 4.527 0.029 0.000 0.295 248 F C 2.312 178.267 175.800 0.259 0.000 1.100 248 F CA 1.159 59.224 58.000 0.107 0.000 1.260 248 F CB -1.455 37.596 39.000 0.086 0.000 1.009 248 F HN 0.444 nan 8.300 nan 0.000 0.476 249 F N 1.306 121.261 119.950 0.008 0.000 2.102 249 F HA -0.260 4.284 4.527 0.029 0.000 0.298 249 F C 2.944 178.748 175.800 0.006 0.000 1.105 249 F CA 1.848 59.853 58.000 0.008 0.000 1.239 249 F CB -0.845 38.161 39.000 0.009 0.000 0.991 249 F HN 0.319 nan 8.300 nan 0.000 0.474 250 T N -1.692 112.988 114.554 0.210 0.000 2.881 250 T HA -0.212 4.156 4.350 0.029 0.000 0.270 250 T C 1.845 176.590 174.700 0.076 0.000 1.068 250 T CA 1.036 63.202 62.100 0.110 0.000 1.131 250 T CB -0.270 68.646 68.868 0.079 0.000 0.871 250 T HN 0.098 nan 8.240 nan 0.000 0.479 251 K N 1.318 121.767 120.400 0.083 0.000 2.243 251 K HA 0.248 4.586 4.320 0.029 0.000 0.201 251 K C 0.984 177.612 176.600 0.046 0.000 1.051 251 K CA 0.991 57.311 56.287 0.055 0.000 0.970 251 K CB -0.107 32.424 32.500 0.051 0.000 0.755 251 K HN 0.621 nan 8.250 nan 0.000 0.465 269 D N -2.134 118.329 120.400 0.105 0.000 2.832 269 D HA 0.164 4.822 4.640 0.029 0.000 0.235 269 D C -0.648 175.703 176.300 0.084 0.000 1.081 269 D CA 0.914 54.956 54.000 0.072 0.000 0.744 269 D CB -2.521 38.314 40.800 0.057 0.000 1.086 269 D HN 0.912 nan 8.370 nan 0.000 0.438 270 F N -1.385 118.615 119.950 0.083 0.000 2.563 270 F HA 0.969 5.513 4.527 0.029 0.000 0.316 270 F C 0.219 176.032 175.800 0.022 0.000 1.076 270 F CA -0.840 57.210 58.000 0.084 0.000 0.921 270 F CB 2.054 41.160 39.000 0.176 0.000 1.209 270 F HN 1.219 nan 8.300 nan 0.000 0.462 271 V N 2.992 122.935 119.914 0.049 0.000 2.925 271 V HA 0.711 4.848 4.120 0.029 0.000 0.311 271 V C -0.766 175.364 176.094 0.060 0.000 1.104 271 V CA -0.869 61.465 62.300 0.056 0.000 0.954 271 V CB 1.879 33.768 31.823 0.109 0.000 1.022 271 V HN 0.971 nan 8.190 nan 0.000 0.427 272 L N 6.559 127.798 121.223 0.027 0.000 2.312 272 L HA 0.545 4.903 4.340 0.029 0.000 0.287 272 L C 0.518 177.361 176.870 -0.046 0.000 1.091 272 L CA -0.114 54.715 54.840 -0.017 0.000 0.846 272 L CB 0.399 42.421 42.059 -0.062 0.000 1.219 272 L HN 0.669 nan 8.230 nan 0.000 0.439 273 R N 2.684 123.111 120.500 -0.121 0.000 2.536 273 R HA 0.539 4.897 4.340 0.029 0.000 0.279 273 R C -0.784 175.352 176.300 -0.273 0.000 1.001 273 R CA -0.614 55.273 56.100 -0.354 0.000 1.027 273 R CB 1.725 31.735 30.300 -0.485 0.000 1.096 273 R HN 0.311 nan 8.270 nan 0.000 0.502 274 V N 2.984 122.690 119.914 -0.347 0.000 2.732 274 V HA 0.089 4.227 4.120 0.029 0.000 0.297 274 V C 0.156 176.106 176.094 -0.240 0.000 1.060 274 V CA -0.551 61.593 62.300 -0.260 0.000 1.038 274 V CB 1.265 32.807 31.823 -0.468 0.000 1.003 274 V HN 0.845 nan 8.190 nan 0.000 0.481 275 C N 4.493 123.716 119.300 -0.128 0.000 2.624 275 C HA 0.528 5.005 4.460 0.029 0.000 0.397 275 C C 1.527 176.449 174.990 -0.114 0.000 1.331 275 C CA 0.740 59.679 59.018 -0.132 0.000 1.716 275 C CB -0.935 26.725 27.740 -0.134 0.000 2.452 275 C HN 1.295 nan 8.230 nan 0.000 0.586 276 G N 3.981 112.698 108.800 -0.138 0.000 2.234 276 G HA2 -0.173 3.805 3.960 0.029 0.000 0.235 276 G HA3 -0.173 3.805 3.960 0.029 0.000 0.235 276 G C 0.270 175.065 174.900 -0.175 0.000 0.997 276 G CA 0.119 45.148 45.100 -0.119 0.000 0.623 276 G HN 0.678 nan 8.290 nan 0.000 0.514 277 R N -0.581 119.762 120.500 -0.262 0.000 3.024 277 R HA 0.613 4.970 4.340 0.029 0.000 0.224 277 R C -0.610 175.515 176.300 -0.292 0.000 1.490 277 R CA -0.450 55.464 56.100 -0.310 0.000 1.057 277 R CB 0.461 30.474 30.300 -0.479 0.000 1.723 277 R HN 0.023 nan 8.270 nan 0.000 0.520 278 D N 0.720 120.959 120.400 -0.269 0.000 2.788 278 D HA 0.120 4.778 4.640 0.029 0.000 0.289 278 D C -1.005 175.176 176.300 -0.199 0.000 1.340 278 D CA -0.019 53.857 54.000 -0.207 0.000 0.831 278 D CB 0.384 41.125 40.800 -0.097 0.000 1.103 278 D HN 0.268 nan 8.370 nan 0.000 0.476 279 E N -0.165 119.813 120.200 -0.370 0.000 2.191 279 E HA 0.332 4.700 4.350 0.029 0.000 0.274 279 E C -1.407 174.930 176.600 -0.439 0.000 0.948 279 E CA -0.495 55.724 56.400 -0.302 0.000 0.802 279 E CB 0.966 30.444 29.700 -0.370 0.000 1.137 279 E HN 0.035 nan 8.360 nan 0.000 0.397 280 Y N 3.062 123.259 120.300 -0.171 0.000 2.341 280 Y HA 0.356 4.923 4.550 0.029 0.000 0.338 280 Y C -0.539 175.367 175.900 0.010 0.000 0.965 280 Y CA -0.960 57.074 58.100 -0.110 0.000 1.108 280 Y CB 1.187 39.556 38.460 -0.151 0.000 1.180 280 Y HN 0.374 nan 8.280 nan 0.000 0.458 281 L N 5.733 126.989 121.223 0.055 0.000 2.512 281 L HA 0.358 4.715 4.340 0.029 0.000 0.247 281 L C -0.097 176.737 176.870 -0.060 0.000 1.204 281 L CA -0.274 54.460 54.840 -0.178 0.000 1.153 281 L CB -0.325 41.491 42.059 -0.404 0.000 1.415 281 L HN 0.475 nan 8.230 nan 0.000 0.406 282 V N -0.999 119.093 119.914 0.296 0.000 3.158 282 V HA 1.106 5.243 4.120 0.029 0.000 0.311 282 V C 0.108 176.426 176.094 0.373 0.000 1.181 282 V CA 0.010 62.457 62.300 0.245 0.000 1.054 282 V CB 1.714 33.618 31.823 0.136 0.000 1.085 282 V HN 0.736 nan 8.190 nan 0.000 0.446 283 G N 1.338 110.265 108.800 0.211 0.000 2.541 283 G HA2 0.027 4.004 3.960 0.029 0.000 0.686 283 G HA3 0.027 4.004 3.960 0.029 0.000 0.686 283 G C -0.701 174.285 174.900 0.142 0.000 1.286 283 G CA -0.138 45.050 45.100 0.147 0.000 0.894 283 G HN 1.128 nan 8.290 nan 0.000 0.575 284 E N 1.063 121.308 120.200 0.076 0.000 2.232 284 E HA 0.351 4.718 4.350 0.029 0.000 0.296 284 E C 0.094 176.726 176.600 0.053 0.000 1.372 284 E CA 0.222 56.661 56.400 0.064 0.000 1.527 284 E CB 0.138 29.860 29.700 0.036 0.000 1.424 284 E HN 0.525 nan 8.360 nan 0.000 0.485 285 T N 1.235 115.849 114.554 0.100 0.000 2.848 285 T HA 0.351 4.718 4.350 0.029 0.000 0.285 285 T C -2.650 172.168 174.700 0.197 0.000 0.995 285 T CA -1.922 60.210 62.100 0.052 0.000 0.970 285 T CB 2.005 70.748 68.868 -0.208 0.000 0.976 285 T HN -0.079 nan 8.240 nan 0.000 0.441 286 P HA 0.015 nan 4.420 nan 0.000 0.260 286 P C 1.521 178.958 177.300 0.228 0.000 1.185 286 P CA -0.358 62.821 63.100 0.133 0.000 0.763 286 P CB 0.190 31.935 31.700 0.076 0.000 0.776 287 I N 1.521 122.223 120.570 0.221 0.000 2.953 287 I HA -0.184 4.004 4.170 0.029 0.000 0.271 287 I C 1.222 177.439 176.117 0.166 0.000 1.286 287 I CA 1.416 62.851 61.300 0.225 0.000 1.449 287 I CB -2.150 35.806 38.000 -0.073 0.000 1.086 287 I HN 0.135 nan 8.210 nan 0.000 0.483 288 K N 1.192 121.635 120.400 0.071 0.000 2.522 288 K HA 0.134 4.472 4.320 0.029 0.000 0.194 288 K C 0.911 177.477 176.600 -0.057 0.000 1.026 288 K CA 0.498 56.751 56.287 -0.056 0.000 1.119 288 K CB -0.990 31.427 32.500 -0.138 0.000 0.856 288 K HN 0.504 nan 8.250 nan 0.000 0.513 289 N N -1.095 117.637 118.700 0.052 0.000 2.143 289 N HA 0.269 5.027 4.740 0.029 0.000 0.222 289 N C -1.027 174.420 175.510 -0.106 0.000 1.264 289 N CA -0.426 52.594 53.050 -0.051 0.000 0.897 289 N CB 0.284 38.720 38.487 -0.086 0.000 1.092 289 N HN 0.352 nan 8.380 nan 0.000 0.516 290 F N 1.154 121.053 119.950 -0.085 0.000 2.382 290 F HA 0.265 4.809 4.527 0.029 0.000 0.331 290 F C 1.912 177.612 175.800 -0.166 0.000 1.121 290 F CA -0.298 57.656 58.000 -0.077 0.000 1.183 290 F CB 1.072 40.069 39.000 -0.005 0.000 1.207 290 F HN -0.150 nan 8.300 nan 0.000 0.555 291 Q N 1.756 121.472 119.800 -0.140 0.000 2.137 291 Q HA -0.181 4.176 4.340 0.029 0.000 0.198 291 Q C 2.193 178.116 176.000 -0.127 0.000 0.960 291 Q CA 1.115 56.666 55.803 -0.421 0.000 0.847 291 Q CB -0.397 27.514 28.738 -1.378 0.000 0.915 291 Q HN 0.891 nan 8.270 nan 0.000 0.448 292 W N 0.963 122.186 121.300 -0.128 0.000 2.355 292 W HA -0.179 4.499 4.660 0.029 0.000 0.309 292 W C 1.688 178.220 176.519 0.021 0.000 1.206 292 W CA 1.265 58.608 57.345 -0.004 0.000 1.284 292 W CB 0.174 29.657 29.460 0.037 0.000 1.145 292 W HN -0.085 nan 8.180 nan 0.000 0.502 293 V N 1.735 121.645 119.914 -0.006 0.000 2.343 293 V HA -0.323 3.815 4.120 0.029 0.000 0.247 293 V C 2.950 178.928 176.094 -0.194 0.000 1.051 293 V CA 3.072 65.280 62.300 -0.153 0.000 1.036 293 V CB -1.785 30.004 31.823 -0.058 0.000 0.654 293 V HN 0.311 nan 8.190 nan 0.000 0.451 294 R N -0.643 119.776 120.500 -0.134 0.000 2.189 294 R HA -0.177 4.180 4.340 0.029 0.000 0.223 294 R C 2.179 178.386 176.300 -0.154 0.000 1.092 294 R CA 1.681 57.686 56.100 -0.160 0.000 0.989 294 R CB -1.560 28.648 30.300 -0.152 0.000 0.876 294 R HN 0.861 nan 8.270 nan 0.000 0.457 295 H N -0.659 118.246 119.070 -0.275 0.000 2.333 295 H HA -0.067 4.506 4.556 0.029 0.000 0.302 295 H C 1.985 177.103 175.328 -0.351 0.000 1.075 295 H CA 1.659 57.535 56.048 -0.287 0.000 1.348 295 H CB -0.172 29.419 29.762 -0.285 0.000 1.393 295 H HN 0.441 nan 8.280 nan 0.000 0.509 296 C N 1.182 120.061 119.300 -0.702 0.000 2.398 296 C HA -0.155 4.322 4.460 0.029 0.000 0.276 296 C C 3.151 177.890 174.990 -0.418 0.000 1.222 296 C CA 0.913 59.535 59.018 -0.661 0.000 1.746 296 C CB -1.204 26.197 27.740 -0.566 0.000 2.039 296 C HN 0.504 nan 8.230 nan 0.000 0.470 297 L N 1.117 122.153 121.223 -0.312 0.000 2.042 297 L HA -0.204 4.154 4.340 0.029 0.000 0.210 297 L C 2.606 179.368 176.870 -0.181 0.000 1.076 297 L CA 1.934 56.648 54.840 -0.210 0.000 0.749 297 L CB -0.694 41.254 42.059 -0.185 0.000 0.893 297 L HN 0.362 nan 8.230 nan 0.000 0.432 298 K N 0.764 121.044 120.400 -0.199 0.000 2.032 298 K HA -0.187 4.151 4.320 0.029 0.000 0.209 298 K C 1.464 177.960 176.600 -0.173 0.000 1.048 298 K CA 1.950 58.150 56.287 -0.145 0.000 0.927 298 K CB -0.151 32.283 32.500 -0.110 0.000 0.712 298 K HN 0.154 nan 8.250 nan 0.000 0.441 299 N N -0.032 118.501 118.700 -0.278 0.000 2.322 299 N HA 0.161 4.919 4.740 0.029 0.000 0.194 299 N C -0.571 174.832 175.510 -0.178 0.000 1.126 299 N CA 0.838 53.752 53.050 -0.227 0.000 0.845 299 N CB 0.877 39.183 38.487 -0.301 0.000 0.976 299 N HN 0.465 nan 8.380 nan 0.000 0.475 300 G N 1.005 109.702 108.800 -0.173 0.000 2.354 300 G HA2 -0.260 3.718 3.960 0.029 0.000 0.278 300 G HA3 -0.260 3.718 3.960 0.029 0.000 0.278 300 G C -0.425 174.401 174.900 -0.123 0.000 0.953 300 G CA 0.216 45.242 45.100 -0.123 0.000 1.346 300 G HN 0.386 nan 8.290 nan 0.000 0.467 301 E N -0.211 119.888 120.200 -0.168 0.000 2.423 301 E HA 0.471 4.838 4.350 0.029 0.000 0.269 301 E C -0.468 176.060 176.600 -0.119 0.000 0.948 301 E CA -1.045 55.276 56.400 -0.131 0.000 0.802 301 E CB 1.536 31.131 29.700 -0.175 0.000 1.339 301 E HN 0.439 nan 8.360 nan 0.000 0.445 302 E N 1.058 121.231 120.200 -0.044 0.000 2.115 302 E HA 0.219 4.586 4.350 0.029 0.000 0.282 302 E C -0.707 175.830 176.600 -0.105 0.000 0.987 302 E CA -0.408 55.940 56.400 -0.087 0.000 0.797 302 E CB 0.557 30.216 29.700 -0.067 0.000 1.086 302 E HN 0.223 nan 8.360 nan 0.000 0.397 303 I N 4.644 125.118 120.570 -0.160 0.000 2.800 303 I HA -0.102 4.086 4.170 0.029 0.000 0.309 303 I C 0.359 176.437 176.117 -0.064 0.000 1.182 303 I CA 0.505 61.746 61.300 -0.098 0.000 1.794 303 I CB -0.955 36.976 38.000 -0.116 0.000 1.548 303 I HN 0.389 nan 8.210 nan 0.000 0.850 304 H N 4.515 123.632 119.070 0.078 0.000 2.683 304 H HA 0.423 4.997 4.556 0.029 0.000 0.339 304 H C -0.369 174.931 175.328 -0.048 0.000 1.081 304 H CA -0.126 55.935 56.048 0.022 0.000 1.432 304 H CB 1.404 31.150 29.762 -0.028 0.000 1.462 304 H HN 0.140 nan 8.280 nan 0.000 0.557 305 V N 4.498 124.385 119.914 -0.044 0.000 2.577 305 V HA 0.022 4.159 4.120 0.029 0.000 0.294 305 V C -0.190 175.851 176.094 -0.088 0.000 1.052 305 V CA -0.800 61.464 62.300 -0.060 0.000 0.891 305 V CB 2.115 33.929 31.823 -0.014 0.000 1.017 305 V HN 0.545 nan 8.190 nan 0.000 0.436 306 V N 7.027 126.863 119.914 -0.130 0.000 2.461 306 V HA 0.647 4.784 4.120 0.029 0.000 0.275 306 V C -0.350 175.734 176.094 -0.016 0.000 1.047 306 V CA -0.246 62.019 62.300 -0.058 0.000 0.955 306 V CB 1.379 33.154 31.823 -0.081 0.000 0.988 306 V HN 0.799 nan 8.190 nan 0.000 0.471 307 L N 8.269 129.520 121.223 0.046 0.000 2.265 307 L HA 0.752 5.110 4.340 0.029 0.000 0.288 307 L C -0.375 176.537 176.870 0.069 0.000 1.058 307 L CA 0.557 55.434 54.840 0.061 0.000 0.809 307 L CB 0.804 42.927 42.059 0.106 0.000 1.179 307 L HN 1.005 nan 8.230 nan 0.000 0.429 308 D N 1.493 121.934 120.400 0.068 0.000 2.838 308 D HA 0.221 4.878 4.640 0.029 0.000 0.334 308 D C -0.919 175.434 176.300 0.089 0.000 1.315 308 D CA -0.567 53.478 54.000 0.074 0.000 0.917 308 D CB 0.702 41.532 40.800 0.051 0.000 1.435 308 D HN 0.363 nan 8.370 nan 0.000 0.517 309 T N 1.276 115.877 114.554 0.080 0.000 2.930 309 T HA 0.421 4.788 4.350 0.029 0.000 0.306 309 T C -2.278 172.472 174.700 0.085 0.000 1.045 309 T CA -0.352 61.792 62.100 0.074 0.000 1.134 309 T CB 0.543 69.444 68.868 0.054 0.000 0.961 309 T HN 0.216 nan 8.240 nan 0.000 0.545 310 P HA 0.189 nan 4.420 nan 0.000 0.268 310 P C -2.188 175.106 177.300 -0.009 0.000 1.204 310 P CA -1.142 61.962 63.100 0.006 0.000 0.768 310 P CB -0.303 31.383 31.700 -0.022 0.000 0.842 311 P HA 0.070 nan 4.420 nan 0.000 0.271 311 P C -0.536 176.743 177.300 -0.035 0.000 1.218 311 P CA 0.041 63.125 63.100 -0.026 0.000 0.780 311 P CB 0.530 32.203 31.700 -0.046 0.000 0.901 312 D N 2.844 123.236 120.400 -0.013 0.000 2.339 312 D HA 0.112 4.769 4.640 0.029 0.000 0.256 312 D C -1.538 174.757 176.300 -0.007 0.000 1.214 312 D CA -2.014 51.980 54.000 -0.009 0.000 0.877 312 D CB 0.435 41.233 40.800 -0.003 0.000 1.111 312 D HN 0.104 nan 8.370 nan 0.000 0.478 313 P HA -0.045 nan 4.420 nan 0.000 0.225 313 P C 0.788 178.099 177.300 0.018 0.000 1.148 313 P CA 0.654 63.765 63.100 0.018 0.000 0.779 313 P CB 0.175 31.887 31.700 0.021 0.000 0.780 314 A N -0.746 122.077 122.820 0.004 0.000 2.178 314 A HA -0.127 4.210 4.320 0.029 0.000 0.218 314 A C 1.960 179.542 177.584 -0.003 0.000 1.157 314 A CA 1.112 53.148 52.037 -0.002 0.000 0.689 314 A CB -1.382 17.613 19.000 -0.008 0.000 0.787 314 A HN 0.191 nan 8.150 nan 0.000 0.465 315 L N -0.918 120.306 121.223 0.002 0.000 2.162 315 L HA -0.042 4.315 4.340 0.029 0.000 0.205 315 L C 0.911 177.788 176.870 0.013 0.000 1.086 315 L CA 0.718 55.559 54.840 0.000 0.000 0.778 315 L CB -0.384 41.674 42.059 -0.002 0.000 0.928 315 L HN 0.166 nan 8.230 nan 0.000 0.446 316 D N 0.415 120.840 120.400 0.042 0.000 2.323 316 D HA -0.040 4.617 4.640 0.029 0.000 0.239 316 D C 0.721 177.059 176.300 0.064 0.000 1.129 316 D CA 0.214 54.272 54.000 0.097 0.000 0.865 316 D CB -0.167 40.774 40.800 0.235 0.000 0.913 316 D HN 0.361 nan 8.370 nan 0.000 0.517 317 E N 0.570 120.781 120.200 0.018 0.000 2.436 317 E HA 0.073 4.441 4.350 0.029 0.000 0.262 317 E C -0.595 175.992 176.600 -0.023 0.000 1.063 317 E CA 0.054 56.448 56.400 -0.010 0.000 0.944 317 E CB 0.884 30.570 29.700 -0.025 0.000 0.950 317 E HN -0.198 nan 8.360 nan 0.000 0.444 318 V N 3.839 123.729 119.914 -0.040 0.000 2.667 318 V HA 0.311 4.448 4.120 0.029 0.000 0.308 318 V C 0.198 176.244 176.094 -0.080 0.000 1.048 318 V CA -0.717 61.552 62.300 -0.051 0.000 0.928 318 V CB 1.629 33.425 31.823 -0.045 0.000 1.004 318 V HN 0.755 nan 8.190 nan 0.000 0.444 319 R N 2.614 123.039 120.500 -0.125 0.000 2.539 319 R HA 0.553 4.911 4.340 0.029 0.000 0.275 319 R C 0.056 176.279 176.300 -0.128 0.000 1.077 319 R CA -0.219 55.769 56.100 -0.185 0.000 1.097 319 R CB 0.525 30.588 30.300 -0.395 0.000 1.018 319 R HN 0.674 nan 8.270 nan 0.000 0.483 320 K N 3.953 124.286 120.400 -0.111 0.000 2.361 320 K HA -0.013 4.324 4.320 0.029 0.000 0.283 320 K C 0.400 176.973 176.600 -0.046 0.000 1.078 320 K CA 0.720 56.967 56.287 -0.066 0.000 1.041 320 K CB -0.541 31.926 32.500 -0.056 0.000 0.932 320 K HN 0.927 nan 8.250 nan 0.000 0.462 358 D N 1.162 121.571 120.400 0.016 0.000 2.527 358 D HA 0.109 4.767 4.640 0.029 0.000 0.224 358 D C 0.501 176.812 176.300 0.019 0.000 1.217 358 D CA -0.081 53.928 54.000 0.016 0.000 0.819 358 D CB 0.556 41.360 40.800 0.007 0.000 1.061 358 D HN 0.641 nan 8.370 nan 0.000 0.515 359 R N 1.408 121.920 120.500 0.019 0.000 2.641 359 R HA 0.123 4.481 4.340 0.029 0.000 0.269 359 R C 0.034 176.366 176.300 0.053 0.000 1.074 359 R CA -0.184 55.924 56.100 0.014 0.000 1.133 359 R CB 0.789 31.081 30.300 -0.015 0.000 1.029 359 R HN -0.356 nan 8.270 nan 0.000 0.488 360 K N 4.473 124.904 120.400 0.053 0.000 2.363 360 K HA -0.020 4.317 4.320 0.029 0.000 0.289 360 K C -0.276 176.427 176.600 0.172 0.000 1.063 360 K CA -0.095 56.263 56.287 0.117 0.000 0.967 360 K CB 0.139 32.695 32.500 0.094 0.000 0.987 360 K HN 0.506 nan 8.250 nan 0.000 0.473 361 F N 5.380 125.395 119.950 0.108 0.000 2.579 361 F HA -0.190 4.354 4.527 0.029 0.000 0.397 361 F C 0.585 176.565 175.800 0.300 0.000 1.027 361 F CA 0.468 58.557 58.000 0.148 0.000 1.217 361 F CB 0.409 39.459 39.000 0.084 0.000 0.986 361 F HN 0.491 nan 8.300 nan 0.000 0.551 362 R N 6.115 126.298 120.500 -0.529 0.000 2.686 362 R HA 0.790 5.148 4.340 0.029 0.000 0.283 362 R C -2.264 173.831 176.300 -0.343 0.000 0.978 362 R CA -1.106 54.832 56.100 -0.271 0.000 0.897 362 R CB 1.761 32.008 30.300 -0.087 0.000 1.192 362 R HN 0.572 nan 8.270 nan 0.000 0.457 363 V N 2.330 122.232 119.914 -0.019 0.000 2.638 363 V HA 0.418 4.555 4.120 0.029 0.000 0.306 363 V C -1.027 175.079 176.094 0.020 0.000 1.052 363 V CA -0.900 61.433 62.300 0.055 0.000 0.885 363 V CB 1.953 33.850 31.823 0.124 0.000 0.999 363 V HN 0.913 nan 8.190 nan 0.000 0.424 364 K N 6.408 126.632 120.400 -0.294 0.000 2.258 364 K HA 0.540 4.877 4.320 0.029 0.000 0.284 364 K C -0.748 175.679 176.600 -0.287 0.000 1.051 364 K CA -0.374 55.565 56.287 -0.579 0.000 0.923 364 K CB 0.971 32.632 32.500 -1.398 0.000 1.046 364 K HN 0.760 nan 8.250 nan 0.000 0.474 365 I N 6.953 127.411 120.570 -0.187 0.000 2.287 365 I HA 0.140 4.327 4.170 0.029 0.000 0.290 365 I C 1.219 177.335 176.117 -0.001 0.000 1.069 365 I CA -0.463 60.788 61.300 -0.082 0.000 1.237 365 I CB 0.880 38.813 38.000 -0.111 0.000 1.418 365 I HN 0.719 nan 8.210 nan 0.000 0.481 366 R N 4.582 125.075 120.500 -0.013 0.000 2.073 366 R HA 0.213 4.571 4.340 0.029 0.000 0.229 366 R C 0.873 177.246 176.300 0.122 0.000 1.120 366 R CA 0.479 56.586 56.100 0.012 0.000 0.967 366 R CB -0.145 30.133 30.300 -0.037 0.000 0.862 366 R HN 0.753 nan 8.270 nan 0.000 0.436 367 G N 0.987 109.887 108.800 0.165 0.000 2.350 367 G HA2 0.236 4.214 3.960 0.029 0.000 0.305 367 G HA3 0.236 4.214 3.960 0.029 0.000 0.305 367 G C -1.092 173.894 174.900 0.143 0.000 1.479 367 G CA -0.799 44.448 45.100 0.245 0.000 0.949 367 G HN 0.202 nan 8.290 nan 0.000 0.651 368 I N -1.592 119.082 120.570 0.174 0.000 2.566 368 I HA 0.901 5.088 4.170 0.029 0.000 0.303 368 I C -1.169 174.936 176.117 -0.019 0.000 0.983 368 I CA -0.984 60.349 61.300 0.055 0.000 1.235 368 I CB 2.144 40.198 38.000 0.089 0.000 1.386 368 I HN 0.427 nan 8.210 nan 0.000 0.494 369 D N 5.472 125.826 120.400 -0.076 0.000 2.613 369 D HA 0.483 5.141 4.640 0.029 0.000 0.230 369 D C -0.806 175.434 176.300 -0.100 0.000 1.365 369 D CA -0.197 53.756 54.000 -0.078 0.000 0.976 369 D CB 2.007 42.766 40.800 -0.069 0.000 1.415 369 D HN 0.775 nan 8.370 nan 0.000 0.589 370 I N 1.795 122.314 120.570 -0.086 0.000 2.465 370 I HA 0.416 4.604 4.170 0.029 0.000 0.291 370 I C -1.782 174.308 176.117 -0.046 0.000 1.014 370 I CA -2.536 58.713 61.300 -0.085 0.000 1.093 370 I CB 2.412 40.347 38.000 -0.108 0.000 1.267 370 I HN 0.108 nan 8.210 nan 0.000 0.431 371 P HA -0.110 nan 4.420 nan 0.000 0.211 371 P C -0.206 177.084 177.300 -0.016 0.000 1.181 371 P CA 1.104 64.190 63.100 -0.023 0.000 0.929 371 P CB 0.117 31.805 31.700 -0.020 0.000 0.789 381 V N 1.320 121.285 119.914 0.084 0.000 2.924 381 V HA 0.798 4.935 4.120 0.029 0.000 0.300 381 V C -1.707 174.669 176.094 0.470 0.000 1.227 381 V CA -0.431 61.994 62.300 0.209 0.000 0.954 381 V CB 1.620 33.605 31.823 0.271 0.000 1.055 381 V HN 1.478 nan 8.190 nan 0.000 0.429 382 F N 3.368 123.459 119.950 0.234 0.000 2.745 382 F HA 0.941 5.485 4.527 0.028 0.000 0.316 382 F C -1.479 174.318 175.800 -0.006 0.000 1.155 382 F CA -1.213 56.851 58.000 0.106 0.000 0.937 382 F CB 1.685 40.709 39.000 0.040 0.000 1.361 382 F HN 0.174 nan 8.300 nan 0.000 0.472 383 V N 0.912 120.795 119.914 -0.052 0.000 2.540 383 V HA 0.417 4.554 4.120 0.029 0.000 0.302 383 V C -0.912 175.250 176.094 0.114 0.000 1.035 383 V CA -0.625 61.628 62.300 -0.078 0.000 0.873 383 V CB 1.492 33.153 31.823 -0.269 0.000 0.992 383 V HN 0.845 nan 8.190 nan 0.000 0.428 384 E N 3.583 123.906 120.200 0.204 0.000 2.101 384 E HA 0.630 4.997 4.350 0.029 0.000 0.260 384 E C -0.393 176.327 176.600 0.200 0.000 0.897 384 E CA -0.627 55.924 56.400 0.252 0.000 0.744 384 E CB 1.246 31.179 29.700 0.389 0.000 1.140 384 E HN 0.844 nan 8.360 nan 0.000 0.419 385 A N 5.690 128.628 122.820 0.196 0.000 2.366 385 A HA 0.300 4.637 4.320 0.029 0.000 0.322 385 A C -0.402 177.397 177.584 0.357 0.000 1.397 385 A CA -0.716 51.481 52.037 0.267 0.000 0.984 385 A CB 0.134 19.335 19.000 0.334 0.000 1.149 385 A HN 0.678 nan 8.150 nan 0.000 0.540 386 N N 1.675 120.495 118.700 0.200 0.000 2.489 386 N HA 0.411 5.169 4.740 0.029 0.000 0.284 386 N C -0.767 174.713 175.510 -0.050 0.000 1.158 386 N CA -0.275 52.849 53.050 0.122 0.000 0.965 386 N CB 1.704 40.242 38.487 0.085 0.000 1.195 386 N HN 0.506 nan 8.380 nan 0.000 0.506 387 I N 2.016 122.488 120.570 -0.164 0.000 2.361 387 I HA 0.137 4.324 4.170 0.029 0.000 0.282 387 I C 0.232 176.265 176.117 -0.140 0.000 1.075 387 I CA -0.276 60.862 61.300 -0.269 0.000 1.205 387 I CB 0.514 38.231 38.000 -0.472 0.000 1.406 387 I HN 0.230 nan 8.210 nan 0.000 0.481 388 Q N 4.293 124.031 119.800 -0.104 0.000 2.260 388 Q HA 0.338 4.696 4.340 0.029 0.000 0.238 388 Q C -0.328 175.645 176.000 -0.044 0.000 0.948 388 Q CA -0.379 55.386 55.803 -0.063 0.000 0.895 388 Q CB 1.856 30.554 28.738 -0.067 0.000 1.218 388 Q HN 0.442 nan 8.270 nan 0.000 0.470 389 H N -0.085 118.901 119.070 -0.140 0.000 3.162 389 H HA 0.214 4.787 4.556 0.029 0.000 0.309 389 H C -0.448 174.749 175.328 -0.218 0.000 1.156 389 H CA 0.461 56.396 56.048 -0.189 0.000 1.586 389 H CB 0.680 30.334 29.762 -0.180 0.000 1.740 389 H HN 0.924 nan 8.280 nan 0.000 0.525 390 G N 5.289 113.864 108.800 -0.375 0.000 2.367 390 G HA2 -0.274 3.703 3.960 0.029 0.000 0.295 390 G HA3 -0.274 3.703 3.960 0.029 0.000 0.295 390 G C 0.580 175.370 174.900 -0.182 0.000 1.019 390 G CA 0.896 45.818 45.100 -0.297 0.000 1.224 390 G HN 0.765 nan 8.290 nan 0.000 0.510 391 Q N -2.408 117.312 119.800 -0.133 0.000 2.306 391 Q HA -0.260 4.098 4.340 0.029 0.000 0.149 391 Q C 1.014 176.983 176.000 -0.052 0.000 0.719 391 Q CA 2.423 58.174 55.803 -0.086 0.000 1.328 391 Q CB -0.999 27.678 28.738 -0.101 0.000 1.281 391 Q HN 0.990 nan 8.270 nan 0.000 0.978 392 Q N 0.877 120.650 119.800 -0.046 0.000 2.314 392 Q HA 0.416 4.773 4.340 0.029 0.000 0.258 392 Q C -0.644 175.357 176.000 0.002 0.000 0.954 392 Q CA -0.008 55.790 55.803 -0.008 0.000 0.890 392 Q CB 1.328 30.082 28.738 0.026 0.000 1.210 392 Q HN 0.129 nan 8.270 nan 0.000 0.410 393 V N 6.606 126.524 119.914 0.006 0.000 2.370 393 V HA 0.200 4.338 4.120 0.029 0.000 0.279 393 V C 0.338 176.436 176.094 0.008 0.000 1.029 393 V CA -0.093 62.212 62.300 0.008 0.000 0.870 393 V CB 0.806 32.643 31.823 0.023 0.000 0.984 393 V HN 0.950 nan 8.190 nan 0.000 0.451 394 L N 5.080 126.299 121.223 -0.007 0.000 2.116 394 L HA 0.287 4.644 4.340 0.029 0.000 0.200 394 L C 0.753 177.633 176.870 0.016 0.000 1.084 394 L CA 0.656 55.488 54.840 -0.013 0.000 0.766 394 L CB -0.047 41.983 42.059 -0.049 0.000 0.930 394 L HN 0.529 nan 8.230 nan 0.000 0.453 395 C N -0.713 118.602 119.300 0.026 0.000 2.779 395 C HA 0.565 5.043 4.460 0.029 0.000 0.314 395 C C -0.331 174.809 174.990 0.250 0.000 1.231 395 C CA -0.535 58.578 59.018 0.159 0.000 1.652 395 C CB 1.946 29.857 27.740 0.285 0.000 2.198 395 C HN 0.396 nan 8.230 nan 0.000 0.483 396 Q N 2.368 122.353 119.800 0.308 0.000 2.263 396 Q HA 0.525 4.882 4.340 0.029 0.000 0.266 396 Q C -1.500 174.605 176.000 0.175 0.000 1.002 396 Q CA -0.471 55.496 55.803 0.274 0.000 0.790 396 Q CB 1.065 29.887 28.738 0.138 0.000 1.272 396 Q HN 0.713 nan 8.270 nan 0.000 0.435 397 R N 3.163 123.749 120.500 0.143 0.000 2.575 397 R HA 0.560 4.918 4.340 0.029 0.000 0.293 397 R C -0.810 175.466 176.300 -0.040 0.000 0.983 397 R CA -0.624 55.416 56.100 -0.099 0.000 0.887 397 R CB 2.051 32.059 30.300 -0.486 0.000 1.184 397 R HN 0.701 nan 8.270 nan 0.000 0.445 398 R N 0.221 120.679 120.500 -0.071 0.000 2.758 398 R HA 0.452 4.809 4.340 0.029 0.000 0.265 398 R C 0.338 176.554 176.300 -0.141 0.000 1.016 398 R CA -0.720 55.350 56.100 -0.051 0.000 1.040 398 R CB 1.443 31.685 30.300 -0.095 0.000 1.152 398 R HN 0.660 nan 8.270 nan 0.000 0.503 399 T N -1.813 112.627 114.554 -0.191 0.000 2.902 399 T HA 0.241 4.608 4.350 0.029 0.000 0.280 399 T C 0.398 174.995 174.700 -0.171 0.000 0.992 399 T CA -0.955 60.940 62.100 -0.343 0.000 1.015 399 T CB 1.274 69.565 68.868 -0.962 0.000 1.044 399 T HN 0.593 nan 8.240 nan 0.000 0.520 400 S N 1.494 117.178 115.700 -0.027 0.000 2.549 400 S HA 0.297 4.785 4.470 0.029 0.000 0.286 400 S C -2.612 172.188 174.600 0.333 0.000 1.314 400 S CA -1.057 57.218 58.200 0.127 0.000 1.062 400 S CB -0.547 62.767 63.200 0.188 0.000 0.865 400 S HN 0.626 nan 8.310 nan 0.000 0.498 401 P HA 0.272 nan 4.420 nan 0.000 0.268 401 P C -0.300 177.205 177.300 0.342 0.000 1.205 401 P CA -0.126 63.162 63.100 0.313 0.000 0.771 401 P CB 0.420 32.208 31.700 0.145 0.000 0.858 402 K N 3.060 123.689 120.400 0.381 0.000 2.433 402 K HA 0.535 4.872 4.320 0.029 0.000 0.252 402 K C -2.569 174.169 176.600 0.230 0.000 1.015 402 K CA -2.255 54.150 56.287 0.196 0.000 0.860 402 K CB 0.951 33.422 32.500 -0.049 0.000 1.359 402 K HN 0.181 nan 8.250 nan 0.000 0.452 403 P HA -0.073 nan 4.420 nan 0.000 0.269 403 P C -0.851 176.662 177.300 0.355 0.000 1.205 403 P CA 0.205 63.461 63.100 0.261 0.000 0.780 403 P CB 0.131 31.860 31.700 0.050 0.000 0.858 404 F N -0.765 119.205 119.950 0.032 0.000 2.300 404 F HA 0.507 5.051 4.527 0.029 0.000 0.364 404 F C 0.394 176.202 175.800 0.013 0.000 1.090 404 F CA -1.590 56.435 58.000 0.041 0.000 1.200 404 F CB -0.994 38.051 39.000 0.075 0.000 1.493 404 F HN 0.084 nan 8.300 nan 0.000 0.518 405 T N -2.647 111.922 114.554 0.026 0.000 2.927 405 T HA 0.616 4.983 4.350 0.029 0.000 0.286 405 T C 0.992 175.681 174.700 -0.018 0.000 1.040 405 T CA 0.067 62.140 62.100 -0.046 0.000 1.010 405 T CB 1.350 70.169 68.868 -0.082 0.000 1.177 405 T HN 0.466 nan 8.240 nan 0.000 0.546 406 E N -0.635 119.545 120.200 -0.034 0.000 2.209 406 E HA 0.201 4.568 4.350 0.029 0.000 0.196 406 E C 0.969 177.544 176.600 -0.042 0.000 0.993 406 E CA 1.677 58.059 56.400 -0.031 0.000 0.819 406 E CB -1.079 28.601 29.700 -0.034 0.000 0.745 406 E HN 1.210 nan 8.360 nan 0.000 0.477 407 E N -0.761 119.405 120.200 -0.057 0.000 2.265 407 E HA 0.584 4.951 4.350 0.029 0.000 0.262 407 E C -1.046 175.487 176.600 -0.112 0.000 0.889 407 E CA -0.259 56.098 56.400 -0.071 0.000 0.789 407 E CB 1.541 31.201 29.700 -0.068 0.000 1.221 407 E HN 0.563 nan 8.360 nan 0.000 0.414 408 V N 2.501 122.332 119.914 -0.139 0.000 2.443 408 V HA 0.671 4.808 4.120 0.029 0.000 0.293 408 V C -0.634 175.241 176.094 -0.364 0.000 1.021 408 V CA -0.833 61.279 62.300 -0.314 0.000 0.848 408 V CB 0.839 32.425 31.823 -0.395 0.000 0.998 408 V HN 0.724 nan 8.190 nan 0.000 0.424 409 L N 3.697 124.682 121.223 -0.395 0.000 2.334 409 L HA 0.558 4.915 4.340 0.029 0.000 0.276 409 L C 0.429 177.104 176.870 -0.325 0.000 1.014 409 L CA 0.088 54.790 54.840 -0.230 0.000 0.815 409 L CB 1.952 43.937 42.059 -0.123 0.000 1.268 409 L HN 0.635 nan 8.230 nan 0.000 0.428 410 W N 0.120 121.399 121.300 -0.034 0.000 3.178 410 W HA 0.131 4.809 4.660 0.030 0.000 0.241 410 W C 0.652 177.135 176.519 -0.060 0.000 1.122 410 W CA 0.001 57.327 57.345 -0.032 0.000 1.595 410 W CB 0.212 29.658 29.460 -0.023 0.000 0.918 410 W HN 0.757 nan 8.180 nan 0.000 0.700 411 N N 0.817 119.596 118.700 0.132 0.000 2.725 411 N HA -0.180 4.577 4.740 0.029 0.000 0.251 411 N C -1.151 174.331 175.510 -0.048 0.000 1.031 411 N CA 0.410 53.449 53.050 -0.018 0.000 0.720 411 N CB -0.986 37.487 38.487 -0.024 0.000 0.930 411 N HN -0.271 nan 8.380 nan 0.000 0.543 412 V N 0.866 120.759 119.914 -0.035 0.000 2.435 412 V HA 0.375 4.513 4.120 0.029 0.000 0.290 412 V C 0.338 176.344 176.094 -0.146 0.000 1.030 412 V CA -0.570 61.711 62.300 -0.032 0.000 0.881 412 V CB 0.946 32.785 31.823 0.025 0.000 0.983 412 V HN 0.255 nan 8.190 nan 0.000 0.445 413 W N 5.208 126.493 121.300 -0.025 0.000 2.345 413 W HA 0.493 5.171 4.660 0.028 0.000 0.308 413 W C -0.056 176.398 176.519 -0.109 0.000 1.273 413 W CA -0.313 56.994 57.345 -0.062 0.000 1.243 413 W CB 0.745 30.170 29.460 -0.057 0.000 1.260 413 W HN 0.343 nan 8.180 nan 0.000 0.509 414 L N 4.247 125.543 121.223 0.123 0.000 2.297 414 L HA 0.245 4.602 4.340 0.029 0.000 0.277 414 L C 0.260 177.006 176.870 -0.205 0.000 1.040 414 L CA -0.503 54.271 54.840 -0.111 0.000 0.867 414 L CB 0.683 42.615 42.059 -0.213 0.000 1.244 414 L HN 0.412 nan 8.230 nan 0.000 0.433 415 E N 2.475 122.571 120.200 -0.173 0.000 2.313 415 E HA 0.346 4.713 4.350 0.029 0.000 0.276 415 E C -0.958 175.505 176.600 -0.229 0.000 1.031 415 E CA -0.388 55.940 56.400 -0.120 0.000 0.857 415 E CB 0.957 30.622 29.700 -0.058 0.000 1.040 415 E HN 0.240 nan 8.360 nan 0.000 0.408 416 F N 0.753 120.766 119.950 0.105 0.000 2.461 416 F HA 0.206 4.750 4.527 0.028 0.000 0.337 416 F C 1.541 177.391 175.800 0.084 0.000 1.079 416 F CA -0.548 57.528 58.000 0.127 0.000 1.032 416 F CB 1.371 40.511 39.000 0.233 0.000 1.327 416 F HN 0.394 nan 8.300 nan 0.000 0.491 417 S N 0.085 115.960 115.700 0.292 0.000 2.558 417 S HA 0.271 4.758 4.470 0.029 0.000 0.217 417 S C 0.339 175.016 174.600 0.129 0.000 0.975 417 S CA 0.085 58.375 58.200 0.151 0.000 0.912 417 S CB -0.410 62.852 63.200 0.105 0.000 0.776 417 S HN 0.220 nan 8.310 nan 0.000 0.526 418 I N 2.285 122.957 120.570 0.170 0.000 2.385 418 I HA 0.237 4.424 4.170 0.029 0.000 0.294 418 I C 0.322 176.505 176.117 0.111 0.000 0.988 418 I CA -0.929 60.428 61.300 0.095 0.000 1.265 418 I CB 0.813 38.828 38.000 0.026 0.000 1.388 418 I HN -0.158 nan 8.210 nan 0.000 0.480 419 K N 3.857 124.294 120.400 0.063 0.000 2.188 419 K HA 0.093 4.430 4.320 0.029 0.000 0.246 419 K C 0.871 177.516 176.600 0.075 0.000 1.026 419 K CA -0.158 56.166 56.287 0.063 0.000 0.871 419 K CB 0.785 33.303 32.500 0.030 0.000 1.042 419 K HN 0.437 nan 8.250 nan 0.000 0.509 420 I N 1.282 121.901 120.570 0.081 0.000 2.716 420 I HA -0.144 4.043 4.170 0.029 0.000 0.259 420 I C 1.702 177.844 176.117 0.043 0.000 1.172 420 I CA 1.225 62.578 61.300 0.089 0.000 1.478 420 I CB -0.001 38.061 38.000 0.103 0.000 1.104 420 I HN 0.355 nan 8.210 nan 0.000 0.439 421 K N 0.130 120.547 120.400 0.029 0.000 2.305 421 K HA 0.032 4.369 4.320 0.029 0.000 0.199 421 K C 1.229 177.828 176.600 -0.002 0.000 1.047 421 K CA 0.679 56.975 56.287 0.015 0.000 0.976 421 K CB -0.326 32.181 32.500 0.011 0.000 0.765 421 K HN 0.251 nan 8.250 nan 0.000 0.474 422 D N 0.570 120.964 120.400 -0.010 0.000 2.347 422 D HA -0.017 4.640 4.640 0.029 0.000 0.215 422 D C 0.472 176.745 176.300 -0.044 0.000 0.976 422 D CA 0.167 54.149 54.000 -0.030 0.000 0.884 422 D CB 0.156 40.937 40.800 -0.032 0.000 0.915 422 D HN 0.106 nan 8.370 nan 0.000 0.526 423 L N 2.768 123.962 121.223 -0.048 0.000 2.534 423 L HA 0.090 4.447 4.340 0.029 0.000 0.271 423 L C -2.037 174.818 176.870 -0.025 0.000 1.178 423 L CA -1.110 53.684 54.840 -0.077 0.000 0.907 423 L CB 0.084 42.074 42.059 -0.115 0.000 1.164 423 L HN -0.186 nan 8.230 nan 0.000 0.482 424 P HA 0.185 nan 4.420 nan 0.000 0.292 424 P C -0.977 176.390 177.300 0.111 0.000 1.283 424 P CA -0.921 62.216 63.100 0.062 0.000 0.835 424 P CB 0.957 32.657 31.700 -0.001 0.000 1.017 425 K N 1.658 122.142 120.400 0.141 0.000 2.447 425 K HA 0.297 4.635 4.320 0.029 0.000 0.281 425 K C 0.924 177.615 176.600 0.153 0.000 1.031 425 K CA 0.935 57.304 56.287 0.137 0.000 1.019 425 K CB -0.773 31.794 32.500 0.112 0.000 0.918 425 K HN 0.790 nan 8.250 nan 0.000 0.476 426 G N 1.892 110.752 108.800 0.100 0.000 2.163 426 G HA2 -0.227 3.750 3.960 0.029 0.000 0.213 426 G HA3 -0.227 3.750 3.960 0.029 0.000 0.213 426 G C -0.013 174.734 174.900 -0.256 0.000 0.991 426 G CA -0.098 44.897 45.100 -0.175 0.000 0.653 426 G HN 0.899 nan 8.290 nan 0.000 0.518 427 A N 0.553 123.315 122.820 -0.097 0.000 2.409 427 A HA 0.700 5.037 4.320 0.029 0.000 0.262 427 A C 0.506 177.979 177.584 -0.185 0.000 1.113 427 A CA 0.076 52.051 52.037 -0.104 0.000 0.790 427 A CB 0.363 19.322 19.000 -0.068 0.000 1.046 427 A HN 0.756 nan 8.150 nan 0.000 0.496 428 L N 2.446 123.556 121.223 -0.188 0.000 2.307 428 L HA 0.325 4.683 4.340 0.029 0.000 0.282 428 L C -0.250 176.521 176.870 -0.165 0.000 1.051 428 L CA -0.823 53.915 54.840 -0.170 0.000 0.804 428 L CB 1.538 43.512 42.059 -0.141 0.000 1.197 428 L HN 0.711 nan 8.230 nan 0.000 0.431 429 L N 4.901 126.036 121.223 -0.147 0.000 2.282 429 L HA 0.220 4.577 4.340 0.029 0.000 0.287 429 L C 0.194 177.044 176.870 -0.033 0.000 1.075 429 L CA 0.347 55.121 54.840 -0.109 0.000 0.839 429 L CB 0.140 42.160 42.059 -0.066 0.000 1.219 429 L HN 0.525 nan 8.230 nan 0.000 0.434 430 N N 6.481 125.174 118.700 -0.012 0.000 2.521 430 N HA 0.168 4.925 4.740 0.029 0.000 0.236 430 N C -1.154 174.404 175.510 0.081 0.000 1.067 430 N CA -0.461 52.611 53.050 0.037 0.000 0.939 430 N CB 0.438 38.939 38.487 0.023 0.000 1.201 430 N HN 0.635 nan 8.380 nan 0.000 0.511 431 L N 3.126 124.400 121.223 0.085 0.000 2.278 431 L HA 0.283 4.640 4.340 0.029 0.000 0.287 431 L C 0.393 177.319 176.870 0.093 0.000 1.072 431 L CA -0.258 54.634 54.840 0.087 0.000 0.819 431 L CB 1.027 43.120 42.059 0.057 0.000 1.176 431 L HN 0.400 nan 8.230 nan 0.000 0.435 432 Q N 3.629 123.482 119.800 0.088 0.000 2.416 432 Q HA 0.697 5.054 4.340 0.029 0.000 0.279 432 Q C -1.094 174.878 176.000 -0.048 0.000 1.101 432 Q CA -0.869 54.946 55.803 0.021 0.000 0.830 432 Q CB 3.405 32.137 28.738 -0.011 0.000 1.402 432 Q HN 0.513 nan 8.270 nan 0.000 0.445 433 I N 1.596 122.044 120.570 -0.203 0.000 2.478 433 I HA 0.368 4.555 4.170 0.029 0.000 0.287 433 I C -1.437 174.412 176.117 -0.447 0.000 1.042 433 I CA -0.606 60.578 61.300 -0.192 0.000 1.067 433 I CB 1.170 39.190 38.000 0.035 0.000 1.233 433 I HN 0.540 nan 8.210 nan 0.000 0.431 434 Y N 4.585 124.568 120.300 -0.529 0.000 2.487 434 Y HA 0.694 5.261 4.550 0.029 0.000 0.337 434 Y C 0.810 176.440 175.900 -0.449 0.000 1.076 434 Y CA -0.476 57.293 58.100 -0.551 0.000 1.115 434 Y CB 1.152 39.126 38.460 -0.810 0.000 1.235 434 Y HN 0.714 nan 8.280 nan 0.000 0.468 458 V N 0.587 120.548 119.914 0.078 0.000 2.630 458 V HA 1.006 5.144 4.120 0.029 0.000 0.305 458 V C 0.126 176.305 176.094 0.142 0.000 1.046 458 V CA 0.359 62.731 62.300 0.120 0.000 0.934 458 V CB 1.446 33.376 31.823 0.178 0.000 1.003 458 V HN 1.480 nan 8.190 nan 0.000 0.451 459 R N 4.343 124.932 120.500 0.148 0.000 2.774 459 R HA 0.786 5.144 4.340 0.029 0.000 0.272 459 R C -1.548 174.757 176.300 0.010 0.000 1.000 459 R CA -0.574 55.591 56.100 0.108 0.000 0.906 459 R CB 1.225 31.540 30.300 0.024 0.000 1.227 459 R HN 0.892 nan 8.270 nan 0.000 0.468 460 L N 1.960 123.105 121.223 -0.130 0.000 2.319 460 L HA 0.487 4.844 4.340 0.029 0.000 0.280 460 L C 0.413 177.089 176.870 -0.323 0.000 1.099 460 L CA -0.098 54.463 54.840 -0.464 0.000 0.828 460 L CB 0.850 42.664 42.059 -0.409 0.000 1.150 460 L HN 0.821 nan 8.230 nan 0.000 0.442 461 L N 4.675 125.669 121.223 -0.380 0.000 2.653 461 L HA 0.282 4.639 4.340 0.029 0.000 0.230 461 L C -0.772 175.653 176.870 -0.742 0.000 1.055 461 L CA -0.191 54.346 54.840 -0.504 0.000 0.880 461 L CB 0.315 42.091 42.059 -0.472 0.000 1.195 461 L HN 0.450 nan 8.230 nan 0.000 0.492 462 Y N -0.690 119.550 120.300 -0.100 0.000 2.504 462 Y HA 0.479 5.047 4.550 0.029 0.000 0.344 462 Y C -0.820 175.077 175.900 -0.005 0.000 1.023 462 Y CA -1.431 56.628 58.100 -0.069 0.000 1.020 462 Y CB 1.570 39.971 38.460 -0.098 0.000 1.282 462 Y HN -0.024 nan 8.280 nan 0.000 0.454 463 Y N 0.230 120.623 120.300 0.155 0.000 2.553 463 Y HA 0.907 5.475 4.550 0.030 0.000 0.347 463 Y C -1.837 174.185 175.900 0.204 0.000 1.019 463 Y CA -1.664 56.503 58.100 0.112 0.000 1.032 463 Y CB 1.818 40.312 38.460 0.056 0.000 1.284 463 Y HN 0.558 nan 8.280 nan 0.000 0.466 464 V N 2.948 123.022 119.914 0.267 0.000 3.000 464 V HA 0.492 4.629 4.120 0.029 0.000 0.300 464 V C -1.990 174.209 176.094 0.174 0.000 1.251 464 V CA -0.714 61.709 62.300 0.205 0.000 0.972 464 V CB 2.281 34.120 31.823 0.027 0.000 1.065 464 V HN 1.048 nan 8.190 nan 0.000 0.431 465 N N 3.859 122.658 118.700 0.165 0.000 2.402 465 N HA 0.779 5.537 4.740 0.029 0.000 0.294 465 N C -1.683 173.844 175.510 0.029 0.000 1.203 465 N CA -0.494 52.601 53.050 0.076 0.000 0.838 465 N CB 2.552 41.074 38.487 0.057 0.000 1.306 465 N HN 0.578 nan 8.380 nan 0.000 0.510 466 L N 1.335 122.533 121.223 -0.041 0.000 2.676 466 L HA 0.364 4.722 4.340 0.029 0.000 0.262 466 L C -1.324 175.463 176.870 -0.139 0.000 0.965 466 L CA -0.258 54.520 54.840 -0.104 0.000 0.920 466 L CB 1.058 42.993 42.059 -0.207 0.000 1.260 466 L HN 0.468 nan 8.230 nan 0.000 0.422 467 L N 5.961 127.107 121.223 -0.129 0.000 2.654 467 L HA -0.002 4.356 4.340 0.029 0.000 0.271 467 L C 1.504 178.303 176.870 -0.119 0.000 1.169 467 L CA 0.238 54.990 54.840 -0.147 0.000 0.947 467 L CB 0.352 42.325 42.059 -0.145 0.000 1.232 467 L HN 0.782 nan 8.230 nan 0.000 0.486 468 L N 4.681 125.821 121.223 -0.139 0.000 2.042 468 L HA -0.122 4.236 4.340 0.029 0.000 0.210 468 L C 0.842 177.678 176.870 -0.056 0.000 1.076 468 L CA 1.325 56.088 54.840 -0.128 0.000 0.749 468 L CB -0.133 41.780 42.059 -0.243 0.000 0.893 468 L HN 0.537 nan 8.230 nan 0.000 0.432 469 I N 0.476 121.030 120.570 -0.026 0.000 2.354 469 I HA 0.127 4.314 4.170 0.029 0.000 0.292 469 I C -0.254 175.900 176.117 0.062 0.000 0.989 469 I CA -0.885 60.422 61.300 0.012 0.000 1.188 469 I CB 1.410 39.422 38.000 0.019 0.000 1.342 469 I HN 0.096 nan 8.210 nan 0.000 0.457 470 D N 5.524 125.914 120.400 -0.017 0.000 2.447 470 D HA -0.021 4.636 4.640 0.029 0.000 0.265 470 D C 1.176 177.340 176.300 -0.227 0.000 1.250 470 D CA -0.006 53.982 54.000 -0.019 0.000 1.046 470 D CB 0.298 41.024 40.800 -0.124 0.000 1.095 470 D HN 0.638 nan 8.370 nan 0.000 0.555 471 H N -1.008 117.902 119.070 -0.266 0.000 2.559 471 H HA 0.010 4.583 4.556 0.029 0.000 0.273 471 H C 0.688 175.644 175.328 -0.619 0.000 1.000 471 H CA 0.639 56.358 56.048 -0.549 0.000 1.195 471 H CB -0.240 29.274 29.762 -0.414 0.000 1.368 471 H HN 0.495 nan 8.280 nan 0.000 0.592 472 R N -0.930 119.137 120.500 -0.721 0.000 2.662 472 R HA 0.158 4.516 4.340 0.029 0.000 0.396 472 R C -0.682 175.601 176.300 -0.029 0.000 1.096 472 R CA -0.595 55.279 56.100 -0.378 0.000 1.081 472 R CB -0.665 29.374 30.300 -0.434 0.000 1.382 472 R HN 0.049 nan 8.270 nan 0.000 0.580 473 F N 0.085 119.903 119.950 -0.221 0.000 2.699 473 F HA -0.243 4.301 4.527 0.028 0.000 0.343 473 F C -0.018 175.732 175.800 -0.083 0.000 0.633 473 F CA 0.386 58.314 58.000 -0.119 0.000 1.365 473 F CB -1.271 37.682 39.000 -0.079 0.000 1.795 473 F HN 0.107 nan 8.300 nan 0.000 0.304 474 L N 1.371 122.597 121.223 0.006 0.000 2.350 474 L HA 0.367 4.724 4.340 0.029 0.000 0.275 474 L C 0.385 177.264 176.870 0.015 0.000 1.099 474 L CA -0.978 53.869 54.840 0.012 0.000 0.808 474 L CB 0.852 42.896 42.059 -0.026 0.000 1.149 474 L HN -0.006 nan 8.230 nan 0.000 0.442 475 L N 4.214 125.463 121.223 0.043 0.000 2.361 475 L HA 0.197 4.554 4.340 0.029 0.000 0.278 475 L C 0.506 177.417 176.870 0.068 0.000 1.113 475 L CA 0.261 55.135 54.840 0.056 0.000 0.849 475 L CB 0.318 42.423 42.059 0.077 0.000 1.155 475 L HN 0.502 nan 8.230 nan 0.000 0.452 476 R N 4.852 125.389 120.500 0.063 0.000 2.585 476 R HA 0.211 4.568 4.340 0.029 0.000 0.275 476 R C -0.529 175.862 176.300 0.152 0.000 1.018 476 R CA 0.288 56.440 56.100 0.087 0.000 1.072 476 R CB 0.299 30.605 30.300 0.011 0.000 0.953 476 R HN 0.753 nan 8.270 nan 0.000 0.419 477 R N 2.368 122.984 120.500 0.193 0.000 2.510 477 R HA 0.423 4.780 4.340 0.029 0.000 0.287 477 R C -1.062 175.350 176.300 0.187 0.000 1.084 477 R CA 0.046 56.257 56.100 0.184 0.000 0.934 477 R CB 2.030 32.400 30.300 0.116 0.000 1.201 477 R HN 0.971 nan 8.270 nan 0.000 0.431 478 G N 2.103 111.018 108.800 0.191 0.000 2.302 478 G HA2 -0.052 3.926 3.960 0.029 0.000 0.264 478 G HA3 -0.052 3.926 3.960 0.029 0.000 0.264 478 G C -1.666 173.206 174.900 -0.046 0.000 1.335 478 G CA -0.850 44.260 45.100 0.016 0.000 0.982 478 G HN 0.360 nan 8.290 nan 0.000 0.473 479 E N 0.019 120.045 120.200 -0.290 0.000 2.175 479 E HA 0.577 4.944 4.350 0.029 0.000 0.278 479 E C -1.464 174.826 176.600 -0.517 0.000 0.969 479 E CA -0.195 56.060 56.400 -0.242 0.000 0.796 479 E CB 1.795 31.397 29.700 -0.163 0.000 1.104 479 E HN 0.398 nan 8.360 nan 0.000 0.395 480 Y N 0.229 120.500 120.300 -0.049 0.000 2.346 480 Y HA 0.245 4.813 4.550 0.029 0.000 0.332 480 Y C -0.242 175.620 175.900 -0.062 0.000 0.985 480 Y CA -0.915 57.150 58.100 -0.059 0.000 1.112 480 Y CB 1.796 40.199 38.460 -0.095 0.000 1.170 480 Y HN 0.126 nan 8.280 nan 0.000 0.447 481 V N 5.750 125.702 119.914 0.063 0.000 2.328 481 V HA 0.400 4.538 4.120 0.029 0.000 0.278 481 V C -0.376 175.673 176.094 -0.076 0.000 1.021 481 V CA -0.670 61.603 62.300 -0.045 0.000 0.838 481 V CB 0.799 32.574 31.823 -0.080 0.000 0.999 481 V HN 0.581 nan 8.190 nan 0.000 0.447 482 L N 5.121 126.256 121.223 -0.147 0.000 2.325 482 L HA 0.557 4.915 4.340 0.029 0.000 0.281 482 L C -0.133 176.544 176.870 -0.321 0.000 1.004 482 L CA -0.587 54.173 54.840 -0.133 0.000 0.823 482 L CB 1.272 43.311 42.059 -0.033 0.000 1.236 482 L HN 0.587 nan 8.230 nan 0.000 0.415 483 H N 4.630 123.593 119.070 -0.178 0.000 2.620 483 H HA 0.391 4.964 4.556 0.029 0.000 0.313 483 H C -0.215 174.835 175.328 -0.463 0.000 1.075 483 H CA -0.163 55.710 56.048 -0.291 0.000 1.397 483 H CB 1.466 31.052 29.762 -0.295 0.000 1.446 483 H HN 0.498 nan 8.280 nan 0.000 0.493 484 M N 1.802 121.192 119.600 -0.350 0.000 2.369 484 M HA 0.249 4.747 4.480 0.029 0.000 0.291 484 M C -0.508 175.442 176.300 -0.583 0.000 1.178 484 M CA -0.506 54.532 55.300 -0.438 0.000 0.996 484 M CB 1.155 33.635 32.600 -0.200 0.000 1.472 484 M HN 0.445 nan 8.290 nan 0.000 0.496 485 W N 0.677 121.765 121.300 -0.353 0.000 2.496 485 W HA 0.474 5.152 4.660 0.029 0.000 0.327 485 W C -0.329 176.050 176.519 -0.234 0.000 1.086 485 W CA -0.630 56.478 57.345 -0.394 0.000 1.222 485 W CB 0.557 29.567 29.460 -0.750 0.000 1.304 485 W HN 0.446 nan 8.180 nan 0.000 0.547 486 Q N 2.083 121.972 119.800 0.150 0.000 2.215 486 Q HA 0.629 4.986 4.340 0.029 0.000 0.256 486 Q C -0.127 175.890 176.000 0.029 0.000 0.972 486 Q CA -0.791 54.978 55.803 -0.056 0.000 0.889 486 Q CB 1.669 30.338 28.738 -0.116 0.000 1.281 486 Q HN 0.373 nan 8.270 nan 0.000 0.456 487 I N 0.421 120.958 120.570 -0.055 0.000 4.019 487 I HA 0.569 4.756 4.170 0.029 0.000 0.257 487 I C 0.474 176.585 176.117 -0.011 0.000 1.421 487 I CA -0.718 60.595 61.300 0.023 0.000 0.967 487 I CB 0.641 38.629 38.000 -0.019 0.000 1.591 487 I HN 1.042 nan 8.210 nan 0.000 0.671 498 N N 0.706 119.449 118.700 0.071 0.000 2.701 498 N HA 0.644 5.402 4.740 0.029 0.000 0.290 498 N C 0.898 176.423 175.510 0.025 0.000 1.338 498 N CA 0.119 53.194 53.050 0.041 0.000 0.799 498 N CB 0.949 39.437 38.487 0.001 0.000 1.491 498 N HN -0.101 nan 8.380 nan 0.000 0.540 499 A N -0.233 122.624 122.820 0.061 0.000 1.969 499 A HA -0.106 4.231 4.320 0.029 0.000 0.218 499 A C 1.016 178.629 177.584 0.049 0.000 1.169 499 A CA 1.629 53.724 52.037 0.096 0.000 0.635 499 A CB -0.815 18.136 19.000 -0.081 0.000 0.810 499 A HN 0.723 nan 8.150 nan 0.000 0.445 500 D N -0.304 120.043 120.400 -0.088 0.000 2.310 500 D HA -0.059 4.599 4.640 0.029 0.000 0.212 500 D C 1.505 177.691 176.300 -0.190 0.000 0.965 500 D CA 0.983 54.841 54.000 -0.237 0.000 0.879 500 D CB -0.116 40.291 40.800 -0.656 0.000 0.921 500 D HN 0.460 nan 8.370 nan 0.000 0.510 501 K N -0.054 120.191 120.400 -0.257 0.000 2.444 501 K HA 0.144 4.482 4.320 0.029 0.000 0.193 501 K C 0.629 177.118 176.600 -0.184 0.000 1.024 501 K CA 0.195 56.197 56.287 -0.475 0.000 1.077 501 K CB 0.268 32.409 32.500 -0.598 0.000 0.833 501 K HN 0.227 nan 8.250 nan 0.000 0.517 502 L N -1.678 119.519 121.223 -0.045 0.000 3.202 502 L HA 0.300 4.657 4.340 0.029 0.000 0.278 502 L C 0.276 177.155 176.870 0.015 0.000 1.268 502 L CA -0.692 54.148 54.840 -0.001 0.000 1.034 502 L CB 0.702 42.773 42.059 0.019 0.000 1.407 502 L HN -0.223 nan 8.230 nan 0.000 0.581 503 T N -0.194 114.346 114.554 -0.025 0.000 2.856 503 T HA 0.224 4.591 4.350 0.029 0.000 0.292 503 T C 1.238 175.925 174.700 -0.021 0.000 0.980 503 T CA 0.285 62.299 62.100 -0.144 0.000 1.091 503 T CB 1.229 69.774 68.868 -0.538 0.000 0.936 503 T HN 0.442 nan 8.240 nan 0.000 0.503 504 S N 3.081 118.760 115.700 -0.034 0.000 2.650 504 S HA 0.380 4.867 4.470 0.029 0.000 0.219 504 S C 0.797 175.433 174.600 0.059 0.000 0.960 504 S CA -0.324 57.880 58.200 0.008 0.000 0.925 504 S CB -0.149 63.014 63.200 -0.061 0.000 0.775 504 S HN 0.898 nan 8.310 nan 0.000 0.525 505 A N 2.147 125.003 122.820 0.059 0.000 2.304 505 A HA 0.642 4.979 4.320 0.029 0.000 0.301 505 A C 0.494 178.226 177.584 0.245 0.000 1.132 505 A CA -0.461 51.636 52.037 0.099 0.000 0.819 505 A CB 0.541 19.565 19.000 0.040 0.000 1.094 505 A HN 0.492 nan 8.150 nan 0.000 0.492 506 T N 0.029 114.607 114.554 0.040 0.000 2.895 506 T HA 0.390 4.758 4.350 0.029 0.000 0.283 506 T C 0.034 174.407 174.700 -0.544 0.000 1.014 506 T CA -0.950 61.017 62.100 -0.221 0.000 1.037 506 T CB 0.853 69.631 68.868 -0.150 0.000 1.006 506 T HN 0.561 nan 8.240 nan 0.000 0.468 507 N N 2.995 120.908 118.700 -1.312 0.000 2.365 507 N HA 0.060 4.817 4.740 0.029 0.000 0.265 507 N C -1.686 173.509 175.510 -0.525 0.000 1.288 507 N CA -1.577 50.722 53.050 -1.252 0.000 0.869 507 N CB 0.941 38.726 38.487 -1.170 0.000 1.071 507 N HN 0.420 nan 8.380 nan 0.000 0.480 508 P HA 0.049 nan 4.420 nan 0.000 0.249 508 P C -0.309 176.861 177.300 -0.217 0.000 1.229 508 P CA 0.332 63.314 63.100 -0.198 0.000 0.788 508 P CB 0.229 31.887 31.700 -0.069 0.000 1.072 509 D N 0.337 120.592 120.400 -0.241 0.000 2.558 509 D HA 0.061 4.719 4.640 0.029 0.000 0.221 509 D C 1.084 177.210 176.300 -0.290 0.000 1.143 509 D CA -0.066 53.813 54.000 -0.201 0.000 1.010 509 D CB -0.002 40.720 40.800 -0.129 0.000 1.068 509 D HN -0.207 nan 8.370 nan 0.000 0.511 510 K N 0.683 120.854 120.400 -0.383 0.000 2.147 510 K HA -0.085 4.253 4.320 0.029 0.000 0.205 510 K C 1.725 178.170 176.600 -0.258 0.000 1.049 510 K CA 0.760 56.720 56.287 -0.544 0.000 0.936 510 K CB 0.193 32.386 32.500 -0.511 0.000 0.722 510 K HN 0.288 nan 8.250 nan 0.000 0.446 511 E N 0.240 120.340 120.200 -0.166 0.000 2.153 511 E HA -0.161 4.206 4.350 0.029 0.000 0.194 511 E C 0.797 177.356 176.600 -0.069 0.000 0.988 511 E CA 1.100 57.443 56.400 -0.094 0.000 0.811 511 E CB 0.159 29.817 29.700 -0.071 0.000 0.746 511 E HN 0.299 nan 8.360 nan 0.000 0.466 512 N N -0.800 117.854 118.700 -0.076 0.000 2.419 512 N HA -0.037 4.720 4.740 0.029 0.000 0.216 512 N C 0.201 175.685 175.510 -0.044 0.000 1.118 512 N CA 0.313 53.336 53.050 -0.044 0.000 0.850 512 N CB 0.321 38.792 38.487 -0.026 0.000 1.292 512 N HN -0.036 nan 8.380 nan 0.000 0.467 513 S N 0.726 116.381 115.700 -0.075 0.000 2.579 513 S HA 0.230 4.718 4.470 0.029 0.000 0.275 513 S C 0.504 175.057 174.600 -0.079 0.000 1.345 513 S CA -0.643 57.509 58.200 -0.079 0.000 1.031 513 S CB 0.765 63.877 63.200 -0.147 0.000 0.892 513 S HN 0.208 nan 8.310 nan 0.000 0.529 514 M N 2.477 121.947 119.600 -0.217 0.000 2.245 514 M HA 0.397 4.894 4.480 0.029 0.000 0.330 514 M C 0.123 176.270 176.300 -0.255 0.000 1.098 514 M CA 0.605 55.689 55.300 -0.359 0.000 1.172 514 M CB 0.835 32.889 32.600 -0.911 0.000 1.467 514 M HN 0.827 nan 8.290 nan 0.000 0.454 515 S N 3.875 119.424 115.700 -0.252 0.000 2.726 515 S HA 0.851 5.339 4.470 0.029 0.000 0.308 515 S C -1.287 173.170 174.600 -0.238 0.000 1.115 515 S CA -0.901 57.103 58.200 -0.327 0.000 0.965 515 S CB 0.983 63.965 63.200 -0.363 0.000 1.145 515 S HN 0.781 nan 8.310 nan 0.000 0.532 516 I N 1.698 122.134 120.570 -0.222 0.000 2.743 516 I HA 0.378 4.566 4.170 0.029 0.000 0.292 516 I C -1.328 174.737 176.117 -0.085 0.000 1.343 516 I CA -0.161 61.071 61.300 -0.113 0.000 1.038 516 I CB 2.150 40.100 38.000 -0.084 0.000 1.311 516 I HN 0.637 nan 8.210 nan 0.000 0.426 517 S N 7.316 122.992 115.700 -0.040 0.000 2.503 517 S HA 0.820 5.308 4.470 0.029 0.000 0.301 517 S C -0.556 174.036 174.600 -0.013 0.000 1.087 517 S CA -0.545 57.639 58.200 -0.027 0.000 1.042 517 S CB 1.931 65.109 63.200 -0.036 0.000 1.043 517 S HN 0.530 nan 8.310 nan 0.000 0.489 518 I N -0.255 120.317 120.570 0.003 0.000 3.102 518 I HA 0.785 4.973 4.170 0.029 0.000 0.310 518 I C -1.999 174.118 176.117 0.000 0.000 1.246 518 I CA -1.311 59.983 61.300 -0.010 0.000 0.979 518 I CB 1.814 39.833 38.000 0.031 0.000 1.267 518 I HN 0.504 nan 8.210 nan 0.000 0.451 519 L N 3.316 124.502 121.223 -0.062 0.000 2.381 519 L HA 0.666 5.023 4.340 0.029 0.000 0.274 519 L C -1.858 175.063 176.870 0.085 0.000 0.988 519 L CA -0.466 54.360 54.840 -0.023 0.000 0.824 519 L CB 1.756 43.720 42.059 -0.159 0.000 1.263 519 L HN 0.611 nan 8.230 nan 0.000 0.410 520 L N 4.949 126.279 121.223 0.179 0.000 2.295 520 L HA 0.497 4.854 4.340 0.029 0.000 0.281 520 L C -0.410 176.580 176.870 0.200 0.000 1.018 520 L CA 0.180 55.144 54.840 0.207 0.000 0.841 520 L CB 1.128 43.335 42.059 0.246 0.000 1.218 520 L HN 0.563 nan 8.230 nan 0.000 0.424 521 D N 2.904 123.435 120.400 0.218 0.000 2.886 521 D HA 0.234 4.892 4.640 0.029 0.000 0.355 521 D C -0.475 175.863 176.300 0.064 0.000 1.274 521 D CA 0.008 54.099 54.000 0.152 0.000 0.836 521 D CB 0.465 41.386 40.800 0.202 0.000 1.109 521 D HN 0.445 nan 8.370 nan 0.000 0.488 545 A N -2.080 120.727 122.820 -0.022 0.000 2.586 545 A HA 0.811 5.148 4.320 0.029 0.000 0.290 545 A C -0.318 177.278 177.584 0.021 0.000 1.086 545 A CA 0.457 52.498 52.037 0.005 0.000 0.665 545 A CB 0.208 19.220 19.000 0.020 0.000 1.279 545 A HN 2.234 nan 8.150 nan 0.000 0.423 546 E N -0.049 120.166 120.200 0.025 0.000 2.280 546 E HA 0.773 5.140 4.350 0.029 0.000 0.261 546 E C -0.412 176.197 176.600 0.015 0.000 1.088 546 E CA -0.184 56.223 56.400 0.011 0.000 0.915 546 E CB 1.005 30.706 29.700 0.003 0.000 1.141 546 E HN 0.965 nan 8.360 nan 0.000 0.433 547 M N 1.014 120.588 119.600 -0.044 0.000 2.395 547 M HA 0.471 4.968 4.480 0.029 0.000 0.307 547 M C -2.541 173.698 176.300 -0.103 0.000 1.091 547 M CA -1.807 53.416 55.300 -0.128 0.000 0.919 547 M CB 2.306 34.718 32.600 -0.313 0.000 1.662 547 M HN 0.372 nan 8.290 nan 0.000 0.440 548 P HA 0.081 nan 4.420 nan 0.000 0.268 548 P C 0.145 177.402 177.300 -0.072 0.000 1.205 548 P CA -0.111 62.959 63.100 -0.050 0.000 0.771 548 P CB 0.477 32.165 31.700 -0.019 0.000 0.858 549 N N 2.452 121.124 118.700 -0.047 0.000 2.011 549 N HA -0.289 4.468 4.740 0.029 0.000 0.199 549 N C 1.508 176.988 175.510 -0.050 0.000 1.047 549 N CA 2.107 55.130 53.050 -0.045 0.000 0.863 549 N CB -0.200 38.271 38.487 -0.027 0.000 1.056 549 N HN 0.436 nan 8.380 nan 0.000 0.427 550 Q N 0.541 120.320 119.800 -0.036 0.000 2.197 550 Q HA -0.021 4.336 4.340 0.029 0.000 0.207 550 Q C 2.273 178.247 176.000 -0.044 0.000 0.984 550 Q CA 1.295 57.080 55.803 -0.030 0.000 0.869 550 Q CB -0.258 28.471 28.738 -0.015 0.000 0.906 550 Q HN 0.535 nan 8.270 nan 0.000 0.426 551 L N -0.390 120.794 121.223 -0.065 0.000 2.072 551 L HA -0.107 4.251 4.340 0.029 0.000 0.205 551 L C 2.692 179.468 176.870 -0.156 0.000 1.079 551 L CA 1.478 56.261 54.840 -0.095 0.000 0.752 551 L CB -0.516 41.474 42.059 -0.116 0.000 0.906 551 L HN 0.291 nan 8.230 nan 0.000 0.436 552 R N 0.491 120.880 120.500 -0.185 0.000 2.091 552 R HA -0.197 4.160 4.340 0.029 0.000 0.238 552 R C 2.258 178.492 176.300 -0.110 0.000 1.136 552 R CA 1.364 57.357 56.100 -0.179 0.000 0.959 552 R CB 0.031 30.245 30.300 -0.144 0.000 0.856 552 R HN 0.142 nan 8.270 nan 0.000 0.437 553 K N 0.639 120.995 120.400 -0.074 0.000 2.063 553 K HA -0.193 4.144 4.320 0.029 0.000 0.208 553 K C 2.035 178.611 176.600 -0.040 0.000 1.048 553 K CA 1.466 57.726 56.287 -0.045 0.000 0.928 553 K CB -0.513 31.969 32.500 -0.031 0.000 0.713 553 K HN 0.234 nan 8.250 nan 0.000 0.442 554 Q N 0.914 120.689 119.800 -0.042 0.000 2.119 554 Q HA -0.037 4.320 4.340 0.029 0.000 0.201 554 Q C 1.974 177.955 176.000 -0.031 0.000 0.972 554 Q CA 0.937 56.724 55.803 -0.026 0.000 0.847 554 Q CB -0.350 28.380 28.738 -0.012 0.000 0.903 554 Q HN 0.227 nan 8.270 nan 0.000 0.433 555 L N 0.554 121.741 121.223 -0.060 0.000 2.056 555 L HA -0.086 4.271 4.340 0.029 0.000 0.207 555 L C 1.670 178.494 176.870 -0.077 0.000 1.078 555 L CA 1.878 56.675 54.840 -0.071 0.000 0.749 555 L CB -0.300 41.683 42.059 -0.127 0.000 0.901 555 L HN 0.236 nan 8.230 nan 0.000 0.433 556 E N -0.804 119.348 120.200 -0.080 0.000 2.347 556 E HA -0.086 4.282 4.350 0.029 0.000 0.196 556 E C 2.021 178.611 176.600 -0.017 0.000 1.008 556 E CA 0.657 57.024 56.400 -0.056 0.000 0.852 556 E CB -0.101 29.579 29.700 -0.034 0.000 0.783 556 E HN 0.647 nan 8.360 nan 0.000 0.505 557 A N 0.699 123.510 122.820 -0.016 0.000 1.975 557 A HA -0.015 4.323 4.320 0.029 0.000 0.215 557 A C 2.031 179.618 177.584 0.004 0.000 1.170 557 A CA 0.406 52.442 52.037 -0.002 0.000 0.656 557 A CB -0.154 18.844 19.000 -0.003 0.000 0.821 557 A HN 0.104 nan 8.150 nan 0.000 0.449 558 I N -0.213 120.357 120.570 -0.000 0.000 2.353 558 I HA -0.171 4.016 4.170 0.029 0.000 0.248 558 I C 1.839 177.967 176.117 0.018 0.000 1.119 558 I CA 1.106 62.412 61.300 0.009 0.000 1.417 558 I CB -0.138 37.867 38.000 0.009 0.000 1.078 558 I HN 0.250 nan 8.210 nan 0.000 0.421 559 I N 0.475 121.052 120.570 0.011 0.000 3.111 559 I HA -0.110 4.077 4.170 0.029 0.000 0.272 559 I C 2.412 178.559 176.117 0.049 0.000 1.268 559 I CA 0.556 61.875 61.300 0.032 0.000 1.467 559 I CB -0.256 37.752 38.000 0.014 0.000 1.087 559 I HN 0.139 nan 8.210 nan 0.000 0.467 560 A N 0.398 123.239 122.820 0.035 0.000 2.044 560 A HA 0.032 4.370 4.320 0.029 0.000 0.213 560 A C 1.508 179.110 177.584 0.030 0.000 1.169 560 A CA 0.667 52.725 52.037 0.036 0.000 0.724 560 A CB -0.653 18.363 19.000 0.027 0.000 0.840 560 A HN 0.421 nan 8.150 nan 0.000 0.463 561 T N 0.482 115.052 114.554 0.027 0.000 2.791 561 T HA 0.311 4.678 4.350 0.029 0.000 0.323 561 T C 0.045 174.762 174.700 0.027 0.000 1.082 561 T CA 0.025 62.139 62.100 0.022 0.000 1.084 561 T CB -0.026 68.854 68.868 0.020 0.000 0.992 561 T HN 0.534 nan 8.240 nan 0.000 0.547 562 D N 0.808 121.219 120.400 0.018 0.000 2.361 562 D HA 0.231 4.889 4.640 0.029 0.000 0.239 562 D C -1.967 174.353 176.300 0.035 0.000 1.200 562 D CA -1.692 52.320 54.000 0.020 0.000 0.915 562 D CB -0.048 40.753 40.800 0.001 0.000 1.170 562 D HN 0.214 nan 8.370 nan 0.000 0.444 563 P HA 0.027 nan 4.420 nan 0.000 0.237 563 P C 0.618 177.950 177.300 0.055 0.000 1.178 563 P CA 0.728 63.865 63.100 0.062 0.000 0.766 563 P CB 0.147 31.886 31.700 0.065 0.000 0.876 564 L N -2.204 119.042 121.223 0.037 0.000 2.640 564 L HA 0.184 4.541 4.340 0.029 0.000 0.230 564 L C 0.750 177.634 176.870 0.023 0.000 1.123 564 L CA -0.242 54.617 54.840 0.031 0.000 0.900 564 L CB -0.373 41.703 42.059 0.028 0.000 1.146 564 L HN -0.124 nan 8.230 nan 0.000 0.484 565 N N 1.949 120.663 118.700 0.024 0.000 2.416 565 N HA 0.126 4.883 4.740 0.029 0.000 0.265 565 N C -2.335 173.188 175.510 0.021 0.000 1.195 565 N CA -1.164 51.897 53.050 0.019 0.000 0.943 565 N CB 0.613 39.111 38.487 0.019 0.000 1.115 565 N HN -0.107 nan 8.380 nan 0.000 0.481 566 P HA 0.067 nan 4.420 nan 0.000 0.269 566 P C -0.627 176.682 177.300 0.014 0.000 1.209 566 P CA 0.075 63.182 63.100 0.012 0.000 0.776 566 P CB 0.578 32.282 31.700 0.007 0.000 0.876 567 L N 2.453 123.683 121.223 0.013 0.000 2.264 567 L HA 0.254 4.611 4.340 0.029 0.000 0.289 567 L C 0.712 177.586 176.870 0.008 0.000 1.044 567 L CA -0.386 54.463 54.840 0.014 0.000 0.807 567 L CB 0.796 42.866 42.059 0.017 0.000 1.192 567 L HN 0.342 nan 8.230 nan 0.000 0.425 568 T N 1.898 116.458 114.554 0.009 0.000 2.918 568 T HA 0.088 4.456 4.350 0.029 0.000 0.302 568 T C 1.377 176.079 174.700 0.003 0.000 1.045 568 T CA 0.156 62.259 62.100 0.005 0.000 1.114 568 T CB 1.642 70.515 68.868 0.008 0.000 0.965 568 T HN 0.767 nan 8.240 nan 0.000 0.540 569 A N 2.071 124.889 122.820 -0.003 0.000 1.927 569 A HA -0.179 4.158 4.320 0.029 0.000 0.220 569 A C 2.291 179.874 177.584 -0.002 0.000 1.185 569 A CA 1.626 53.657 52.037 -0.010 0.000 0.639 569 A CB -0.561 18.430 19.000 -0.014 0.000 0.820 569 A HN 0.850 nan 8.150 nan 0.000 0.451 570 E N 0.283 120.485 120.200 0.004 0.000 2.038 570 E HA -0.226 4.141 4.350 0.029 0.000 0.195 570 E C 1.640 178.255 176.600 0.026 0.000 1.000 570 E CA 1.689 58.096 56.400 0.012 0.000 0.803 570 E CB -0.424 29.283 29.700 0.012 0.000 0.750 570 E HN 0.575 nan 8.360 nan 0.000 0.448 571 D N 0.603 121.017 120.400 0.024 0.000 2.103 571 D HA -0.185 4.472 4.640 0.029 0.000 0.190 571 D C 2.015 178.340 176.300 0.042 0.000 0.997 571 D CA 1.372 55.392 54.000 0.033 0.000 0.833 571 D CB -0.253 40.562 40.800 0.024 0.000 0.961 571 D HN 0.221 nan 8.370 nan 0.000 0.447 572 K N 0.615 121.032 120.400 0.027 0.000 2.020 572 K HA -0.175 4.162 4.320 0.029 0.000 0.212 572 K C 2.101 178.739 176.600 0.062 0.000 1.050 572 K CA 1.247 57.550 56.287 0.027 0.000 0.929 572 K CB -0.224 32.270 32.500 -0.011 0.000 0.714 572 K HN 0.322 nan 8.250 nan 0.000 0.443 573 E N 0.902 121.132 120.200 0.050 0.000 2.204 573 E HA -0.169 4.198 4.350 0.029 0.000 0.195 573 E C 2.124 178.795 176.600 0.119 0.000 0.990 573 E CA 0.650 57.097 56.400 0.078 0.000 0.821 573 E CB -0.103 29.610 29.700 0.022 0.000 0.750 573 E HN 0.270 nan 8.360 nan 0.000 0.477 574 L N 0.771 122.063 121.223 0.115 0.000 2.072 574 L HA -0.157 4.200 4.340 0.029 0.000 0.205 574 L C 2.173 179.174 176.870 0.217 0.000 1.079 574 L CA 0.563 55.513 54.840 0.183 0.000 0.752 574 L CB -0.008 42.139 42.059 0.147 0.000 0.906 574 L HN 0.151 nan 8.230 nan 0.000 0.436 575 L N -0.575 120.730 121.223 0.137 0.000 1.989 575 L HA -0.320 4.037 4.340 0.029 0.000 0.211 575 L C 2.326 179.246 176.870 0.083 0.000 1.071 575 L CA 2.157 57.052 54.840 0.092 0.000 0.749 575 L CB -1.860 40.228 42.059 0.048 0.000 0.890 575 L HN 0.644 nan 8.230 nan 0.000 0.431 576 W N 0.299 121.551 121.300 -0.080 0.000 2.467 576 W HA -0.197 4.475 4.660 0.020 0.000 0.275 576 W C 2.493 178.941 176.519 -0.119 0.000 1.239 576 W CA 1.176 58.440 57.345 -0.135 0.000 1.266 576 W CB -0.304 29.070 29.460 -0.143 0.000 1.112 576 W HN 0.410 nan 8.180 nan 0.000 0.576 577 H N -0.797 118.131 119.070 -0.236 0.000 2.428 577 H HA -0.095 4.477 4.556 0.026 0.000 0.296 577 H C -0.056 174.853 175.328 -0.699 0.000 1.062 577 H CA 1.063 56.802 56.048 -0.515 0.000 1.350 577 H CB -0.451 28.986 29.762 -0.542 0.000 1.403 577 H HN -0.067 nan 8.280 nan 0.000 0.533 578 F N 1.212 121.034 119.950 -0.213 0.000 2.434 578 F HA 0.300 4.825 4.527 -0.003 0.000 0.316 578 F C 1.059 176.694 175.800 -0.274 0.000 1.222 578 F CA -0.634 57.222 58.000 -0.240 0.000 1.207 578 F CB 0.602 39.522 39.000 -0.132 0.000 1.466 578 F HN -0.026 nan 8.300 nan 0.000 0.545 579 R N -0.678 119.611 120.500 -0.352 0.000 2.119 579 R HA -0.069 4.288 4.340 0.029 0.000 0.222 579 R C 0.876 176.915 176.300 -0.435 0.000 1.088 579 R CA 1.219 57.009 56.100 -0.516 0.000 0.984 579 R CB -0.376 29.371 30.300 -0.921 0.000 0.884 579 R HN 0.452 nan 8.270 nan 0.000 0.447 580 Y N 0.603 120.809 120.300 -0.156 0.000 2.516 580 Y HA -0.017 4.549 4.550 0.026 0.000 0.291 580 Y C 2.054 177.944 175.900 -0.017 0.000 1.131 580 Y CA 0.617 58.668 58.100 -0.082 0.000 1.281 580 Y CB 0.156 38.567 38.460 -0.081 0.000 1.013 580 Y HN 0.045 nan 8.280 nan 0.000 0.554 581 E N -0.542 119.721 120.200 0.104 0.000 2.340 581 E HA -0.015 4.352 4.350 0.029 0.000 0.194 581 E C 1.893 178.500 176.600 0.012 0.000 0.996 581 E CA 0.688 57.129 56.400 0.067 0.000 0.869 581 E CB 0.083 29.789 29.700 0.009 0.000 0.835 581 E HN 0.120 nan 8.360 nan 0.000 0.493 582 S N -0.053 115.623 115.700 -0.040 0.000 2.446 582 S HA 0.057 4.544 4.470 0.029 0.000 0.225 582 S C 1.682 176.306 174.600 0.039 0.000 1.016 582 S CA 0.117 58.271 58.200 -0.077 0.000 0.943 582 S CB -0.030 63.083 63.200 -0.146 0.000 0.786 582 S HN 0.258 nan 8.310 nan 0.000 0.508 583 L N 1.108 122.337 121.223 0.010 0.000 2.291 583 L HA -0.008 4.349 4.340 0.029 0.000 0.214 583 L C 1.883 178.960 176.870 0.346 0.000 1.120 583 L CA 1.034 55.940 54.840 0.111 0.000 0.799 583 L CB -0.073 41.996 42.059 0.017 0.000 0.925 583 L HN 0.059 nan 8.230 nan 0.000 0.446 584 K N -0.484 120.106 120.400 0.316 0.000 2.152 584 K HA -0.110 4.227 4.320 0.029 0.000 0.206 584 K C -0.104 176.685 176.600 0.315 0.000 1.048 584 K CA 1.049 57.529 56.287 0.322 0.000 0.933 584 K CB -0.307 32.407 32.500 0.357 0.000 0.721 584 K HN 0.351 nan 8.250 nan 0.000 0.447 585 H N -1.008 118.181 119.070 0.199 0.000 2.541 585 H HA 0.199 4.777 4.556 0.036 0.000 0.316 585 H C -1.981 173.538 175.328 0.318 0.000 1.043 585 H CA -2.671 53.489 56.048 0.187 0.000 1.232 585 H CB 1.343 31.180 29.762 0.126 0.000 1.406 585 H HN -0.108 nan 8.280 nan 0.000 0.469 586 P HA -0.098 nan 4.420 nan 0.000 0.219 586 P C 0.902 178.334 177.300 0.221 0.000 1.150 586 P CA 1.148 64.293 63.100 0.075 0.000 0.814 586 P CB 0.416 32.085 31.700 -0.052 0.000 0.787 587 K N -0.731 119.798 120.400 0.215 0.000 2.555 587 K HA 0.128 4.465 4.320 0.029 0.000 0.193 587 K C 1.398 178.137 176.600 0.232 0.000 1.032 587 K CA 0.469 56.871 56.287 0.192 0.000 1.004 587 K CB -0.164 32.413 32.500 0.129 0.000 0.804 587 K HN 0.051 nan 8.250 nan 0.000 0.496 588 A N -0.461 122.552 122.820 0.322 0.000 2.390 588 A HA 0.089 4.426 4.320 0.029 0.000 0.232 588 A C 0.902 178.626 177.584 0.233 0.000 1.233 588 A CA -0.146 52.028 52.037 0.228 0.000 0.907 588 A CB -0.016 19.068 19.000 0.140 0.000 0.967 588 A HN 0.143 nan 8.150 nan 0.000 0.512 589 Y N 0.861 121.211 120.300 0.084 0.000 2.133 589 Y HA -0.046 4.522 4.550 0.029 0.000 0.287 589 Y C -0.352 175.659 175.900 0.184 0.000 1.134 589 Y CA 1.644 59.784 58.100 0.067 0.000 1.133 589 Y CB -1.704 36.836 38.460 0.132 0.000 0.987 589 Y HN 0.250 nan 8.280 nan 0.000 0.502 590 P HA -0.213 nan 4.420 nan 0.000 0.215 590 P C 1.383 178.953 177.300 0.450 0.000 1.163 590 P CA 2.237 65.577 63.100 0.400 0.000 0.894 590 P CB -0.008 31.858 31.700 0.277 0.000 0.791 591 K N -1.146 119.399 120.400 0.242 0.000 2.148 591 K HA -0.075 4.263 4.320 0.029 0.000 0.204 591 K C 2.032 178.676 176.600 0.074 0.000 1.050 591 K CA 0.834 57.210 56.287 0.148 0.000 0.942 591 K CB -1.107 31.447 32.500 0.090 0.000 0.724 591 K HN 0.152 nan 8.250 nan 0.000 0.446 592 L N 0.424 121.618 121.223 -0.049 0.000 2.027 592 L HA -0.066 4.292 4.340 0.029 0.000 0.206 592 L C 1.845 178.561 176.870 -0.256 0.000 1.074 592 L CA 1.644 56.312 54.840 -0.288 0.000 0.745 592 L CB -0.406 41.235 42.059 -0.697 0.000 0.898 592 L HN -0.005 nan 8.230 nan 0.000 0.433 593 F N -2.099 117.977 119.950 0.211 0.000 2.743 593 F HA 0.099 4.647 4.527 0.035 0.000 0.297 593 F C 2.473 178.495 175.800 0.369 0.000 1.131 593 F CA 0.636 58.836 58.000 0.333 0.000 1.426 593 F CB -0.341 38.974 39.000 0.525 0.000 1.116 593 F HN 0.011 nan 8.300 nan 0.000 0.583 594 S N -0.597 115.322 115.700 0.366 0.000 2.558 594 S HA -0.060 4.427 4.470 0.029 0.000 0.217 594 S C 1.853 176.489 174.600 0.061 0.000 0.975 594 S CA 0.789 59.068 58.200 0.130 0.000 0.912 594 S CB -0.296 62.928 63.200 0.040 0.000 0.776 594 S HN 0.325 nan 8.310 nan 0.000 0.526 595 S N 0.036 115.754 115.700 0.030 0.000 2.554 595 S HA 0.307 4.795 4.470 0.029 0.000 0.226 595 S C 0.164 174.631 174.600 -0.222 0.000 0.980 595 S CA -0.413 57.754 58.200 -0.055 0.000 0.939 595 S CB 0.222 63.419 63.200 -0.005 0.000 0.832 595 S HN 0.091 nan 8.310 nan 0.000 0.486 596 V N 2.989 122.711 119.914 -0.320 0.000 2.461 596 V HA 0.267 4.404 4.120 0.029 0.000 0.275 596 V C 0.236 175.823 176.094 -0.846 0.000 1.047 596 V CA -0.500 61.316 62.300 -0.806 0.000 0.955 596 V CB 1.215 32.378 31.823 -1.100 0.000 0.988 596 V HN 0.363 nan 8.190 nan 0.000 0.471 597 K N 5.090 124.993 120.400 -0.829 0.000 2.228 597 K HA 0.060 4.397 4.320 0.029 0.000 0.284 597 K C 0.110 176.383 176.600 -0.546 0.000 1.088 597 K CA 0.170 56.130 56.287 -0.544 0.000 0.941 597 K CB 0.353 32.586 32.500 -0.446 0.000 1.158 597 K HN 0.710 nan 8.250 nan 0.000 0.438 598 W N 1.053 122.166 121.300 -0.312 0.000 2.937 598 W HA 0.026 4.705 4.660 0.032 0.000 0.245 598 W C 1.750 178.071 176.519 -0.331 0.000 1.306 598 W CA -0.187 56.932 57.345 -0.377 0.000 1.470 598 W CB 0.373 29.441 29.460 -0.653 0.000 1.132 598 W HN 0.659 nan 8.180 nan 0.000 0.675 599 G N 0.058 108.804 108.800 -0.091 0.000 3.262 599 G HA2 0.066 4.043 3.960 0.029 0.000 0.228 599 G HA3 0.066 4.043 3.960 0.029 0.000 0.228 599 G C 0.204 175.044 174.900 -0.100 0.000 1.197 599 G CA -0.187 44.859 45.100 -0.089 0.000 0.819 599 G HN 0.161 nan 8.290 nan 0.000 0.531 600 Q N -0.055 119.665 119.800 -0.133 0.000 2.337 600 Q HA 0.157 4.515 4.340 0.029 0.000 0.260 600 Q C 0.668 176.594 176.000 -0.122 0.000 0.982 600 Q CA -0.606 55.121 55.803 -0.126 0.000 0.734 600 Q CB 1.877 30.521 28.738 -0.158 0.000 1.272 600 Q HN 0.213 nan 8.270 nan 0.000 0.461 601 Q N 2.149 121.900 119.800 -0.082 0.000 2.142 601 Q HA -0.355 4.002 4.340 0.029 0.000 0.213 601 Q C 1.739 177.685 176.000 -0.089 0.000 1.004 601 Q CA 3.245 59.003 55.803 -0.075 0.000 0.883 601 Q CB -0.048 28.662 28.738 -0.046 0.000 0.939 601 Q HN 0.770 nan 8.270 nan 0.000 0.413 602 E N 0.485 120.642 120.200 -0.071 0.000 2.077 602 E HA -0.134 4.233 4.350 0.029 0.000 0.193 602 E C 1.911 178.482 176.600 -0.048 0.000 0.989 602 E CA 1.476 57.848 56.400 -0.047 0.000 0.800 602 E CB -0.708 28.977 29.700 -0.026 0.000 0.746 602 E HN 0.459 nan 8.360 nan 0.000 0.452 603 I N 1.030 121.535 120.570 -0.108 0.000 2.099 603 I HA -0.205 3.982 4.170 0.029 0.000 0.239 603 I C 2.724 178.738 176.117 -0.172 0.000 1.066 603 I CA 1.062 62.265 61.300 -0.162 0.000 1.324 603 I CB -1.250 36.484 38.000 -0.443 0.000 1.037 603 I HN 0.220 nan 8.210 nan 0.000 0.401 604 V N 1.566 121.320 119.914 -0.267 0.000 2.317 604 V HA -0.348 3.789 4.120 0.029 0.000 0.251 604 V C 2.852 178.774 176.094 -0.287 0.000 1.065 604 V CA 2.035 64.163 62.300 -0.288 0.000 1.049 604 V CB -1.249 30.441 31.823 -0.222 0.000 0.651 604 V HN 0.513 nan 8.190 nan 0.000 0.450 605 A N -0.255 122.444 122.820 -0.201 0.000 1.892 605 A HA -0.262 4.075 4.320 0.029 0.000 0.218 605 A C 2.283 179.882 177.584 0.025 0.000 1.188 605 A CA 2.068 54.035 52.037 -0.117 0.000 0.631 605 A CB -0.483 18.485 19.000 -0.053 0.000 0.822 605 A HN 0.491 nan 8.150 nan 0.000 0.447 606 K N -0.673 119.777 120.400 0.083 0.000 2.063 606 K HA -0.124 4.213 4.320 0.029 0.000 0.208 606 K C 2.078 178.794 176.600 0.195 0.000 1.048 606 K CA 1.838 58.219 56.287 0.156 0.000 0.928 606 K CB -1.116 31.536 32.500 0.254 0.000 0.713 606 K HN 0.539 nan 8.250 nan 0.000 0.442 607 T N 0.999 115.712 114.554 0.264 0.000 2.720 607 T HA -0.135 4.232 4.350 0.029 0.000 0.268 607 T C 1.897 176.853 174.700 0.426 0.000 1.037 607 T CA 1.234 63.535 62.100 0.335 0.000 1.144 607 T CB -0.380 68.639 68.868 0.251 0.000 0.864 607 T HN 0.321 nan 8.240 nan 0.000 0.444 608 Y N 0.848 121.228 120.300 0.134 0.000 2.352 608 Y HA -0.116 4.451 4.550 0.028 0.000 0.292 608 Y C 2.864 178.821 175.900 0.096 0.000 1.136 608 Y CA 0.196 58.366 58.100 0.116 0.000 1.227 608 Y CB -0.087 38.441 38.460 0.112 0.000 0.991 608 Y HN 0.195 nan 8.280 nan 0.000 0.545 609 Q N 0.348 120.300 119.800 0.253 0.000 2.224 609 Q HA -0.122 4.236 4.340 0.029 0.000 0.203 609 Q C 2.122 178.216 176.000 0.158 0.000 0.970 609 Q CA 0.901 56.809 55.803 0.175 0.000 0.865 609 Q CB -0.070 28.757 28.738 0.148 0.000 0.922 609 Q HN 0.514 nan 8.270 nan 0.000 0.445 610 L N -0.526 120.772 121.223 0.124 0.000 2.027 610 L HA -0.140 4.217 4.340 0.029 0.000 0.206 610 L C 1.746 178.680 176.870 0.107 0.000 1.074 610 L CA 0.971 55.842 54.840 0.052 0.000 0.745 610 L CB -0.298 41.733 42.059 -0.048 0.000 0.898 610 L HN 0.293 nan 8.230 nan 0.000 0.433 611 L N -0.586 120.710 121.223 0.123 0.000 2.551 611 L HA -0.081 4.276 4.340 0.029 0.000 0.228 611 L C 2.703 179.619 176.870 0.078 0.000 1.153 611 L CA 0.329 55.215 54.840 0.077 0.000 0.851 611 L CB -0.807 41.241 42.059 -0.017 0.000 0.959 611 L HN 0.210 nan 8.230 nan 0.000 0.451 612 A N 1.129 124.009 122.820 0.101 0.000 1.917 612 A HA -0.073 4.264 4.320 0.029 0.000 0.219 612 A C 1.479 179.124 177.584 0.102 0.000 1.182 612 A CA 2.140 54.234 52.037 0.096 0.000 0.633 612 A CB -0.420 18.643 19.000 0.106 0.000 0.819 612 A HN 0.475 nan 8.150 nan 0.000 0.448 613 R N -2.464 118.112 120.500 0.127 0.000 3.262 613 R HA 0.616 4.974 4.340 0.029 0.000 0.270 613 R C 0.300 176.706 176.300 0.177 0.000 1.147 613 R CA 0.490 56.676 56.100 0.144 0.000 1.189 613 R CB -0.646 29.724 30.300 0.117 0.000 1.271 613 R HN 0.726 nan 8.270 nan 0.000 0.447 614 R N -0.683 119.953 120.500 0.227 0.000 3.919 614 R HA -0.260 4.097 4.340 0.029 0.000 0.412 614 R C 1.183 177.632 176.300 0.249 0.000 1.102 614 R CA 2.414 58.683 56.100 0.282 0.000 1.082 614 R CB -1.923 28.512 30.300 0.225 0.000 1.671 614 R HN 1.328 nan 8.270 nan 0.000 0.540 615 E N 0.229 120.542 120.200 0.189 0.000 2.072 615 E HA -0.073 4.295 4.350 0.029 0.000 0.190 615 E C 1.547 178.226 176.600 0.132 0.000 0.982 615 E CA 1.423 57.904 56.400 0.136 0.000 0.803 615 E CB -0.472 29.288 29.700 0.100 0.000 0.755 615 E HN 0.270 nan 8.360 nan 0.000 0.453 616 V N -0.130 119.882 119.914 0.164 0.000 2.358 616 V HA -0.162 3.975 4.120 0.029 0.000 0.246 616 V C 2.178 178.346 176.094 0.123 0.000 1.047 616 V CA 2.251 64.628 62.300 0.128 0.000 1.035 616 V CB -0.328 31.587 31.823 0.153 0.000 0.658 616 V HN 0.816 nan 8.190 nan 0.000 0.452 617 W N 1.070 122.390 121.300 0.032 0.000 2.355 617 W HA -0.192 4.485 4.660 0.028 0.000 0.309 617 W C 1.788 178.270 176.519 -0.061 0.000 1.206 617 W CA 2.008 59.310 57.345 -0.072 0.000 1.284 617 W CB -0.473 28.971 29.460 -0.026 0.000 1.145 617 W HN 0.385 nan 8.180 nan 0.000 0.502 618 D N 0.089 120.548 120.400 0.098 0.000 2.351 618 D HA -0.158 4.499 4.640 0.029 0.000 0.216 618 D C 1.589 177.819 176.300 -0.117 0.000 0.968 618 D CA 1.267 55.256 54.000 -0.018 0.000 0.899 618 D CB -0.310 40.545 40.800 0.092 0.000 0.907 618 D HN 0.419 nan 8.370 nan 0.000 0.514 619 Q N -0.569 119.158 119.800 -0.122 0.000 2.189 619 Q HA 0.121 4.479 4.340 0.029 0.000 0.223 619 Q C -0.062 175.836 176.000 -0.171 0.000 0.828 619 Q CA -0.193 55.541 55.803 -0.115 0.000 0.967 619 Q CB 0.928 29.634 28.738 -0.053 0.000 1.139 619 Q HN 0.110 nan 8.270 nan 0.000 0.497 620 S N -0.005 115.525 115.700 -0.283 0.000 2.565 620 S HA 0.587 5.074 4.470 0.029 0.000 0.274 620 S C 0.272 174.686 174.600 -0.311 0.000 1.309 620 S CA -0.776 57.240 58.200 -0.306 0.000 1.043 620 S CB 1.545 64.494 63.200 -0.417 0.000 0.939 620 S HN 0.225 nan 8.310 nan 0.000 0.504 621 A N 3.251 125.934 122.820 -0.228 0.000 2.515 621 A HA 0.317 4.654 4.320 0.029 0.000 0.263 621 A C 0.354 177.792 177.584 -0.243 0.000 1.096 621 A CA -0.529 51.390 52.037 -0.197 0.000 0.769 621 A CB -0.662 18.255 19.000 -0.139 0.000 1.040 621 A HN 1.164 nan 8.150 nan 0.000 0.505 622 L N 2.848 123.922 121.223 -0.248 0.000 2.737 622 L HA -0.028 4.329 4.340 0.029 0.000 0.279 622 L C -0.065 176.668 176.870 -0.228 0.000 1.200 622 L CA 0.797 55.475 54.840 -0.270 0.000 0.952 622 L CB -0.116 41.815 42.059 -0.213 0.000 1.240 622 L HN 0.639 nan 8.230 nan 0.000 0.486 623 D N 4.361 124.611 120.400 -0.249 0.000 2.454 623 D HA 0.142 4.799 4.640 0.029 0.000 0.225 623 D C 1.017 177.207 176.300 -0.183 0.000 1.081 623 D CA -0.293 53.596 54.000 -0.186 0.000 0.864 623 D CB 1.317 42.027 40.800 -0.150 0.000 1.040 623 D HN 0.453 nan 8.370 nan 0.000 0.517 624 V N 3.833 123.618 119.914 -0.215 0.000 2.343 624 V HA -0.142 3.995 4.120 0.029 0.000 0.247 624 V C 2.529 178.490 176.094 -0.223 0.000 1.051 624 V CA 2.153 64.280 62.300 -0.288 0.000 1.036 624 V CB -0.559 30.981 31.823 -0.472 0.000 0.654 624 V HN 0.687 nan 8.190 nan 0.000 0.451 625 G N -0.256 108.448 108.800 -0.161 0.000 2.450 625 G HA2 -0.266 3.711 3.960 0.029 0.000 0.220 625 G HA3 -0.266 3.711 3.960 0.029 0.000 0.220 625 G C 1.578 176.447 174.900 -0.051 0.000 1.130 625 G CA 1.208 46.255 45.100 -0.088 0.000 0.760 625 G HN 0.454 nan 8.290 nan 0.000 0.557 626 L N 0.567 121.762 121.223 -0.047 0.000 2.131 626 L HA 0.114 4.471 4.340 0.029 0.000 0.206 626 L C 2.858 179.740 176.870 0.020 0.000 1.087 626 L CA 2.146 56.992 54.840 0.011 0.000 0.767 626 L CB -0.647 41.431 42.059 0.032 0.000 0.917 626 L HN 0.131 nan 8.230 nan 0.000 0.441 627 T N -0.443 114.096 114.554 -0.025 0.000 2.867 627 T HA -0.113 4.254 4.350 0.029 0.000 0.268 627 T C 1.915 176.569 174.700 -0.077 0.000 1.057 627 T CA 1.332 63.416 62.100 -0.026 0.000 1.136 627 T CB -0.118 68.695 68.868 -0.091 0.000 0.874 627 T HN 0.182 nan 8.240 nan 0.000 0.466 628 M N 1.335 120.883 119.600 -0.087 0.000 2.175 628 M HA -0.048 4.450 4.480 0.029 0.000 0.264 628 M C 2.277 178.550 176.300 -0.045 0.000 1.063 628 M CA 1.413 56.675 55.300 -0.063 0.000 1.119 628 M CB -1.105 31.465 32.600 -0.050 0.000 1.377 628 M HN 0.365 nan 8.290 nan 0.000 0.415 629 Q N 0.144 119.920 119.800 -0.041 0.000 2.170 629 Q HA -0.086 4.272 4.340 0.029 0.000 0.203 629 Q C 1.792 177.689 176.000 -0.170 0.000 0.976 629 Q CA 0.974 56.765 55.803 -0.019 0.000 0.858 629 Q CB -0.243 28.514 28.738 0.032 0.000 0.907 629 Q HN 0.499 nan 8.270 nan 0.000 0.433 630 L N 0.161 121.181 121.223 -0.339 0.000 2.599 630 L HA 0.031 4.388 4.340 0.029 0.000 0.230 630 L C 1.234 177.887 176.870 -0.362 0.000 1.141 630 L CA 0.224 54.638 54.840 -0.710 0.000 0.877 630 L CB 0.151 41.893 42.059 -0.528 0.000 1.009 630 L HN 0.193 nan 8.230 nan 0.000 0.447 631 L N -0.773 120.368 121.223 -0.138 0.000 3.016 631 L HA 0.173 4.530 4.340 0.029 0.000 0.267 631 L C 0.275 177.180 176.870 0.058 0.000 1.182 631 L CA -0.389 54.442 54.840 -0.015 0.000 0.997 631 L CB 0.042 42.102 42.059 0.001 0.000 1.354 631 L HN 0.240 nan 8.230 nan 0.000 0.569 632 D N -0.857 119.534 120.400 -0.015 0.000 2.507 632 D HA 0.003 4.661 4.640 0.029 0.000 0.280 632 D C 1.518 177.505 176.300 -0.523 0.000 1.219 632 D CA -0.225 53.563 54.000 -0.353 0.000 1.085 632 D CB 0.209 40.849 40.800 -0.265 0.000 1.134 632 D HN 0.111 nan 8.370 nan 0.000 0.583 633 C N -1.473 117.270 119.300 -0.929 0.000 2.432 633 C HA 0.027 4.504 4.460 0.029 0.000 0.282 633 C C 1.615 176.427 174.990 -0.296 0.000 1.388 633 C CA 0.258 58.916 59.018 -0.600 0.000 1.777 633 C CB -1.820 25.611 27.740 -0.515 0.000 1.882 633 C HN 0.514 nan 8.230 nan 0.000 0.520 634 N N -0.276 118.271 118.700 -0.254 0.000 2.521 634 N HA 0.192 4.949 4.740 0.029 0.000 0.188 634 N C -0.539 174.548 175.510 -0.705 0.000 1.146 634 N CA 0.597 53.394 53.050 -0.423 0.000 0.893 634 N CB -0.082 38.120 38.487 -0.476 0.000 0.975 634 N HN 0.572 nan 8.380 nan 0.000 0.451 635 F N -1.170 118.685 119.950 -0.158 0.000 2.547 635 F HA 0.424 4.967 4.527 0.027 0.000 0.316 635 F C 0.443 176.089 175.800 -0.256 0.000 1.121 635 F CA -0.877 57.020 58.000 -0.172 0.000 0.911 635 F CB 2.151 41.087 39.000 -0.106 0.000 1.179 635 F HN -0.252 nan 8.300 nan 0.000 0.443 636 S N 0.159 115.703 115.700 -0.260 0.000 2.960 636 S HA 0.058 4.546 4.470 0.029 0.000 0.256 636 S C -0.796 173.589 174.600 -0.358 0.000 1.017 636 S CA -0.376 57.590 58.200 -0.391 0.000 1.144 636 S CB -0.028 62.744 63.200 -0.714 0.000 1.109 636 S HN 0.605 nan 8.310 nan 0.000 0.638 637 D N 2.480 122.704 120.400 -0.294 0.000 2.313 637 D HA 0.181 4.838 4.640 0.029 0.000 0.239 637 D C 1.128 177.383 176.300 -0.075 0.000 1.142 637 D CA -0.118 53.768 54.000 -0.190 0.000 0.847 637 D CB 0.804 41.413 40.800 -0.319 0.000 1.082 637 D HN 0.175 nan 8.370 nan 0.000 0.480 638 E N 3.050 123.248 120.200 -0.005 0.000 2.136 638 E HA -0.352 4.015 4.350 0.029 0.000 0.202 638 E C 0.655 177.215 176.600 -0.067 0.000 1.019 638 E CA 1.629 58.028 56.400 -0.002 0.000 0.819 638 E CB 0.127 29.852 29.700 0.042 0.000 0.739 638 E HN 0.527 nan 8.360 nan 0.000 0.458 639 N N -0.450 118.174 118.700 -0.127 0.000 2.216 639 N HA -0.108 4.650 4.740 0.029 0.000 0.183 639 N C 1.837 177.192 175.510 -0.257 0.000 1.017 639 N CA 1.257 54.162 53.050 -0.241 0.000 0.861 639 N CB 0.068 38.244 38.487 -0.518 0.000 0.986 639 N HN -0.014 nan 8.380 nan 0.000 0.428 640 V N 1.327 121.090 119.914 -0.251 0.000 2.261 640 V HA -0.207 3.930 4.120 0.029 0.000 0.246 640 V C 2.071 177.975 176.094 -0.316 0.000 1.047 640 V CA 1.660 63.726 62.300 -0.390 0.000 1.015 640 V CB -0.434 31.215 31.823 -0.290 0.000 0.642 640 V HN 0.282 nan 8.190 nan 0.000 0.446 641 R N 0.278 120.661 120.500 -0.195 0.000 2.152 641 R HA -0.056 4.301 4.340 0.029 0.000 0.232 641 R C 2.247 178.473 176.300 -0.123 0.000 1.117 641 R CA 1.258 57.270 56.100 -0.148 0.000 0.981 641 R CB -0.482 29.775 30.300 -0.072 0.000 0.870 641 R HN 0.542 nan 8.270 nan 0.000 0.451 642 A N 1.641 124.390 122.820 -0.117 0.000 2.067 642 A HA -0.041 4.297 4.320 0.029 0.000 0.217 642 A C 2.098 179.641 177.584 -0.069 0.000 1.156 642 A CA 0.676 52.666 52.037 -0.078 0.000 0.683 642 A CB -0.424 18.540 19.000 -0.061 0.000 0.808 642 A HN 0.453 nan 8.150 nan 0.000 0.455 643 I N -4.045 116.455 120.570 -0.117 0.000 3.059 643 I HA 0.183 4.370 4.170 0.029 0.000 0.270 643 I C 1.991 178.174 176.117 0.109 0.000 1.238 643 I CA 0.981 62.255 61.300 -0.043 0.000 1.478 643 I CB -0.083 37.737 38.000 -0.300 0.000 1.097 643 I HN 0.120 nan 8.210 nan 0.000 0.455 644 A N 1.412 124.221 122.820 -0.018 0.000 1.878 644 A HA 0.057 4.395 4.320 0.029 0.000 0.213 644 A C 2.315 179.858 177.584 -0.068 0.000 1.192 644 A CA 1.270 53.319 52.037 0.020 0.000 0.619 644 A CB -0.861 18.087 19.000 -0.086 0.000 0.837 644 A HN 0.266 nan 8.150 nan 0.000 0.446 645 V N 0.658 120.495 119.914 -0.128 0.000 2.407 645 V HA -0.311 3.826 4.120 0.029 0.000 0.248 645 V C 2.729 178.684 176.094 -0.231 0.000 1.055 645 V CA 2.268 64.415 62.300 -0.254 0.000 1.049 645 V CB -0.767 30.948 31.823 -0.180 0.000 0.662 645 V HN 0.781 nan 8.190 nan 0.000 0.455 646 Q N -0.009 119.746 119.800 -0.075 0.000 2.135 646 Q HA -0.294 4.064 4.340 0.029 0.000 0.204 646 Q C 2.132 178.108 176.000 -0.040 0.000 0.981 646 Q CA 1.789 57.582 55.803 -0.017 0.000 0.856 646 Q CB -0.022 28.758 28.738 0.070 0.000 0.902 646 Q HN 0.401 nan 8.270 nan 0.000 0.425 647 K N 0.248 120.630 120.400 -0.029 0.000 2.366 647 K HA 0.069 4.406 4.320 0.029 0.000 0.198 647 K C 1.710 178.212 176.600 -0.165 0.000 1.044 647 K CA 0.465 56.688 56.287 -0.107 0.000 0.973 647 K CB 0.057 32.493 32.500 -0.108 0.000 0.767 647 K HN 0.272 nan 8.250 nan 0.000 0.475 648 L N 0.456 121.535 121.223 -0.240 0.000 2.418 648 L HA -0.010 4.347 4.340 0.029 0.000 0.218 648 L C 1.336 178.107 176.870 -0.165 0.000 1.125 648 L CA 0.472 55.123 54.840 -0.316 0.000 0.835 648 L CB -0.157 41.492 42.059 -0.683 0.000 0.953 648 L HN 0.099 nan 8.230 nan 0.000 0.454 649 E N 0.229 120.364 120.200 -0.108 0.000 2.472 649 E HA -0.129 4.239 4.350 0.029 0.000 0.200 649 E C 1.926 178.580 176.600 0.090 0.000 1.046 649 E CA 1.174 57.635 56.400 0.102 0.000 0.871 649 E CB 0.044 29.788 29.700 0.073 0.000 0.806 649 E HN 0.520 nan 8.360 nan 0.000 0.533 650 S N -0.326 115.386 115.700 0.020 0.000 2.539 650 S HA 0.092 4.580 4.470 0.029 0.000 0.221 650 S C 0.735 175.340 174.600 0.009 0.000 0.987 650 S CA -0.519 57.682 58.200 0.002 0.000 0.929 650 S CB -0.308 62.863 63.200 -0.048 0.000 0.832 650 S HN 0.024 nan 8.310 nan 0.000 0.492 651 L N 2.090 123.335 121.223 0.037 0.000 2.375 651 L HA 0.620 4.977 4.340 0.029 0.000 0.271 651 L C 0.310 177.222 176.870 0.069 0.000 1.107 651 L CA -1.061 53.804 54.840 0.042 0.000 0.806 651 L CB -0.027 42.061 42.059 0.049 0.000 1.146 651 L HN 0.252 nan 8.230 nan 0.000 0.447 652 E N 0.116 120.345 120.200 0.047 0.000 2.410 652 E HA 0.034 4.401 4.350 0.029 0.000 0.255 652 E C -0.525 176.120 176.600 0.075 0.000 1.194 652 E CA -0.514 55.916 56.400 0.051 0.000 0.955 652 E CB 0.501 30.218 29.700 0.029 0.000 0.988 652 E HN 0.618 nan 8.360 nan 0.000 0.461 653 D N 0.536 120.982 120.400 0.077 0.000 2.263 653 D HA -0.152 4.505 4.640 0.029 0.000 0.208 653 D C 1.213 177.578 176.300 0.108 0.000 0.971 653 D CA 1.213 55.263 54.000 0.083 0.000 0.867 653 D CB -0.258 40.587 40.800 0.075 0.000 0.929 653 D HN 0.556 nan 8.370 nan 0.000 0.492 654 D N 0.390 120.868 120.400 0.130 0.000 2.219 654 D HA -0.121 4.536 4.640 0.029 0.000 0.205 654 D C 1.273 177.618 176.300 0.076 0.000 0.970 654 D CA 0.914 55.021 54.000 0.180 0.000 0.851 654 D CB 0.227 41.105 40.800 0.131 0.000 0.943 654 D HN -0.004 nan 8.370 nan 0.000 0.488 655 D N -0.920 119.511 120.400 0.050 0.000 2.240 655 D HA -0.025 4.633 4.640 0.029 0.000 0.206 655 D C 2.253 178.715 176.300 0.269 0.000 0.963 655 D CA 0.234 54.283 54.000 0.082 0.000 0.863 655 D CB 0.096 40.970 40.800 0.123 0.000 0.973 655 D HN 0.115 nan 8.370 nan 0.000 0.501 656 V N 1.605 121.650 119.914 0.218 0.000 2.332 656 V HA -0.230 3.907 4.120 0.029 0.000 0.248 656 V C 2.655 178.859 176.094 0.184 0.000 1.055 656 V CA 1.218 63.656 62.300 0.230 0.000 1.038 656 V CB -0.492 31.415 31.823 0.141 0.000 0.651 656 V HN 0.195 nan 8.190 nan 0.000 0.450 657 L N -1.012 120.283 121.223 0.120 0.000 2.083 657 L HA -0.210 4.147 4.340 0.029 0.000 0.209 657 L C 2.552 179.438 176.870 0.026 0.000 1.083 657 L CA 1.557 56.418 54.840 0.034 0.000 0.752 657 L CB -0.751 41.280 42.059 -0.046 0.000 0.899 657 L HN 0.381 nan 8.230 nan 0.000 0.433 658 H N -1.572 117.420 119.070 -0.130 0.000 2.456 658 H HA -0.142 4.432 4.556 0.029 0.000 0.296 658 H C 0.914 175.918 175.328 -0.540 0.000 1.079 658 H CA 1.535 57.350 56.048 -0.388 0.000 1.322 658 H CB 0.024 29.440 29.762 -0.578 0.000 1.388 658 H HN 0.365 nan 8.280 nan 0.000 0.538 659 Y N -1.991 118.362 120.300 0.087 0.000 2.527 659 Y HA 0.113 4.681 4.550 0.029 0.000 0.247 659 Y C 1.589 177.495 175.900 0.011 0.000 1.138 659 Y CA -0.346 57.770 58.100 0.026 0.000 1.228 659 Y CB 0.336 38.821 38.460 0.040 0.000 1.252 659 Y HN 0.026 nan 8.280 nan 0.000 0.531 660 L N 0.406 121.717 121.223 0.148 0.000 2.043 660 L HA -0.239 4.119 4.340 0.029 0.000 0.212 660 L C 2.149 179.034 176.870 0.024 0.000 1.075 660 L CA 1.677 56.607 54.840 0.149 0.000 0.752 660 L CB -0.736 41.464 42.059 0.234 0.000 0.891 660 L HN 0.349 nan 8.230 nan 0.000 0.432 661 L N -0.836 120.273 121.223 -0.190 0.000 1.994 661 L HA -0.234 4.123 4.340 0.029 0.000 0.208 661 L C 2.445 179.143 176.870 -0.286 0.000 1.071 661 L CA 1.839 56.351 54.840 -0.546 0.000 0.745 661 L CB -0.907 40.714 42.059 -0.730 0.000 0.892 661 L HN 0.358 nan 8.230 nan 0.000 0.431 662 Q N -0.869 118.849 119.800 -0.135 0.000 2.172 662 Q HA -0.050 4.308 4.340 0.029 0.000 0.200 662 Q C 2.209 178.200 176.000 -0.015 0.000 0.964 662 Q CA 1.386 57.154 55.803 -0.059 0.000 0.855 662 Q CB -0.245 28.504 28.738 0.017 0.000 0.918 662 Q HN 0.503 nan 8.270 nan 0.000 0.444 663 L N -0.839 120.399 121.223 0.025 0.000 2.093 663 L HA -0.126 4.231 4.340 0.029 0.000 0.208 663 L C 2.000 178.879 176.870 0.016 0.000 1.085 663 L CA 0.587 55.460 54.840 0.055 0.000 0.755 663 L CB -0.341 41.796 42.059 0.130 0.000 0.904 663 L HN 0.114 nan 8.230 nan 0.000 0.435 664 V N -0.615 119.272 119.914 -0.046 0.000 2.307 664 V HA -0.239 3.898 4.120 0.029 0.000 0.245 664 V C 2.475 178.473 176.094 -0.159 0.000 1.045 664 V CA 1.433 63.657 62.300 -0.127 0.000 1.024 664 V CB -0.486 31.218 31.823 -0.199 0.000 0.651 664 V HN 0.478 nan 8.190 nan 0.000 0.449 665 Q N -0.055 119.638 119.800 -0.177 0.000 2.291 665 Q HA -0.050 4.307 4.340 0.029 0.000 0.205 665 Q C 2.303 178.145 176.000 -0.263 0.000 0.970 665 Q CA 1.496 57.182 55.803 -0.195 0.000 0.876 665 Q CB -0.504 28.116 28.738 -0.197 0.000 0.935 665 Q HN 0.661 nan 8.270 nan 0.000 0.455 666 A N 0.409 123.156 122.820 -0.123 0.000 2.119 666 A HA -0.039 4.298 4.320 0.029 0.000 0.217 666 A C 2.297 179.835 177.584 -0.075 0.000 1.153 666 A CA 0.594 52.612 52.037 -0.031 0.000 0.692 666 A CB -0.294 18.766 19.000 0.100 0.000 0.799 666 A HN 0.179 nan 8.150 nan 0.000 0.458 667 V N 0.294 120.170 119.914 -0.063 0.000 2.594 667 V HA -0.240 3.897 4.120 0.029 0.000 0.253 667 V C 2.137 178.113 176.094 -0.197 0.000 1.069 667 V CA 2.068 64.368 62.300 -0.001 0.000 1.082 667 V CB -0.608 31.342 31.823 0.211 0.000 0.680 667 V HN 0.562 nan 8.190 nan 0.000 0.469 668 K N -0.697 119.383 120.400 -0.533 0.000 2.519 668 K HA -0.059 4.278 4.320 0.029 0.000 0.196 668 K C 1.562 177.827 176.600 -0.559 0.000 1.041 668 K CA 1.232 56.932 56.287 -0.977 0.000 0.954 668 K CB -0.168 31.546 32.500 -1.310 0.000 0.774 668 K HN 0.517 nan 8.250 nan 0.000 0.480 669 F N 0.940 120.824 119.950 -0.111 0.000 2.717 669 F HA 0.089 4.635 4.527 0.031 0.000 0.295 669 F C 0.769 176.535 175.800 -0.058 0.000 1.117 669 F CA -0.665 57.297 58.000 -0.063 0.000 1.361 669 F CB 0.462 39.434 39.000 -0.046 0.000 1.112 669 F HN -0.170 nan 8.300 nan 0.000 0.594 670 E N 2.167 122.428 120.200 0.101 0.000 2.414 670 E HA -0.022 4.345 4.350 0.029 0.000 0.263 670 E C -1.690 174.900 176.600 -0.017 0.000 1.000 670 E CA -0.992 55.440 56.400 0.052 0.000 0.914 670 E CB 0.527 30.273 29.700 0.076 0.000 0.948 670 E HN 0.102 nan 8.360 nan 0.000 0.444 671 P HA -0.027 nan 4.420 nan 0.000 0.219 671 P C -0.300 176.691 177.300 -0.516 0.000 1.154 671 P CA 1.106 63.988 63.100 -0.363 0.000 0.826 671 P CB 0.208 31.587 31.700 -0.534 0.000 0.795 672 Y N -2.213 118.025 120.300 -0.103 0.000 2.528 672 Y HA 0.279 4.846 4.550 0.028 0.000 0.335 672 Y C 2.156 178.017 175.900 -0.064 0.000 1.093 672 Y CA -0.796 57.209 58.100 -0.160 0.000 1.134 672 Y CB 0.558 38.956 38.460 -0.103 0.000 1.253 672 Y HN -0.123 nan 8.280 nan 0.000 0.478 673 H N -0.624 118.561 119.070 0.192 0.000 2.276 673 H HA -0.096 4.477 4.556 0.029 0.000 0.301 673 H C 0.085 175.493 175.328 0.134 0.000 1.073 673 H CA 1.263 57.383 56.048 0.121 0.000 1.311 673 H CB -0.177 29.636 29.762 0.085 0.000 1.379 673 H HN 0.552 nan 8.280 nan 0.000 0.494 674 D N 1.465 122.034 120.400 0.282 0.000 2.371 674 D HA 0.151 4.808 4.640 0.029 0.000 0.256 674 D C -0.274 176.131 176.300 0.176 0.000 1.193 674 D CA 0.137 54.261 54.000 0.206 0.000 0.881 674 D CB 0.475 41.400 40.800 0.208 0.000 1.143 674 D HN 0.353 nan 8.370 nan 0.000 0.473 675 S N 1.497 117.286 115.700 0.149 0.000 2.547 675 S HA 0.587 5.074 4.470 0.029 0.000 0.270 675 S C 0.873 175.542 174.600 0.114 0.000 1.150 675 S CA -0.326 57.950 58.200 0.127 0.000 0.850 675 S CB 1.218 64.496 63.200 0.130 0.000 1.118 675 S HN 0.308 nan 8.310 nan 0.000 0.461 676 A N 0.993 123.867 122.820 0.090 0.000 1.927 676 A HA -0.105 4.232 4.320 0.029 0.000 0.220 676 A C 1.978 179.634 177.584 0.119 0.000 1.185 676 A CA 2.126 54.214 52.037 0.085 0.000 0.639 676 A CB -1.005 18.018 19.000 0.038 0.000 0.820 676 A HN 1.081 nan 8.150 nan 0.000 0.451 677 L N -0.535 120.751 121.223 0.105 0.000 1.988 677 L HA -0.021 4.336 4.340 0.029 0.000 0.207 677 L C 2.788 179.779 176.870 0.203 0.000 1.071 677 L CA 2.282 57.205 54.840 0.139 0.000 0.744 677 L CB -1.045 41.073 42.059 0.098 0.000 0.893 677 L HN 0.367 nan 8.230 nan 0.000 0.433 678 A N -0.177 122.739 122.820 0.159 0.000 1.859 678 A HA -0.299 4.039 4.320 0.029 0.000 0.217 678 A C 2.381 180.049 177.584 0.141 0.000 1.198 678 A CA 2.311 54.435 52.037 0.145 0.000 0.629 678 A CB -0.760 18.324 19.000 0.140 0.000 0.830 678 A HN 0.514 nan 8.150 nan 0.000 0.446 679 R N -2.012 118.574 120.500 0.144 0.000 2.211 679 R HA -0.142 4.215 4.340 0.029 0.000 0.240 679 R C 1.868 178.258 176.300 0.150 0.000 1.144 679 R CA 1.562 57.738 56.100 0.128 0.000 0.992 679 R CB -0.458 29.915 30.300 0.121 0.000 0.869 679 R HN 0.675 nan 8.270 nan 0.000 0.462 680 F N 0.778 120.755 119.950 0.046 0.000 2.149 680 F HA 0.005 4.550 4.527 0.030 0.000 0.294 680 F C 1.675 177.499 175.800 0.039 0.000 1.095 680 F CA 1.047 59.071 58.000 0.040 0.000 1.276 680 F CB -0.110 38.911 39.000 0.034 0.000 1.023 680 F HN -0.156 nan 8.300 nan 0.000 0.480 681 L N 0.204 121.429 121.223 0.003 0.000 2.127 681 L HA -0.239 4.118 4.340 0.029 0.000 0.211 681 L C 2.571 179.358 176.870 -0.138 0.000 1.089 681 L CA 0.987 55.761 54.840 -0.111 0.000 0.757 681 L CB -0.807 41.264 42.059 0.020 0.000 0.899 681 L HN 0.333 nan 8.230 nan 0.000 0.434 682 L N 0.319 121.514 121.223 -0.046 0.000 2.044 682 L HA -0.212 4.146 4.340 0.029 0.000 0.205 682 L C 2.682 179.549 176.870 -0.005 0.000 1.075 682 L CA 1.653 56.501 54.840 0.013 0.000 0.747 682 L CB -0.307 41.788 42.059 0.061 0.000 0.903 682 L HN 0.306 nan 8.230 nan 0.000 0.435 683 K N -0.515 119.852 120.400 -0.055 0.000 2.097 683 K HA -0.183 4.154 4.320 0.029 0.000 0.206 683 K C 2.074 178.605 176.600 -0.116 0.000 1.049 683 K CA 1.063 57.314 56.287 -0.060 0.000 0.933 683 K CB 0.119 32.597 32.500 -0.037 0.000 0.717 683 K HN 0.225 nan 8.250 nan 0.000 0.442 684 R N -0.523 119.814 120.500 -0.272 0.000 2.161 684 R HA 0.037 4.394 4.340 0.029 0.000 0.213 684 R C 2.294 178.528 176.300 -0.110 0.000 1.055 684 R CA 1.012 56.955 56.100 -0.261 0.000 0.996 684 R CB -0.652 29.325 30.300 -0.538 0.000 0.901 684 R HN 0.358 nan 8.270 nan 0.000 0.456 685 G N 1.360 110.104 108.800 -0.095 0.000 2.404 685 G HA2 -0.182 3.795 3.960 0.029 0.000 0.215 685 G HA3 -0.182 3.795 3.960 0.029 0.000 0.215 685 G C 1.550 176.570 174.900 0.200 0.000 1.174 685 G CA 0.234 45.312 45.100 -0.036 0.000 0.780 685 G HN 0.170 nan 8.290 nan 0.000 0.537 686 L N 0.053 121.425 121.223 0.248 0.000 2.131 686 L HA -0.002 4.356 4.340 0.029 0.000 0.210 686 L C 2.861 179.841 176.870 0.184 0.000 1.092 686 L CA 1.161 56.162 54.840 0.267 0.000 0.759 686 L CB -0.298 41.837 42.059 0.126 0.000 0.903 686 L HN 0.216 nan 8.230 nan 0.000 0.435 687 R N 0.256 120.828 120.500 0.121 0.000 2.153 687 R HA -0.059 4.298 4.340 0.029 0.000 0.218 687 R C 0.690 177.151 176.300 0.268 0.000 1.072 687 R CA 0.670 56.831 56.100 0.102 0.000 0.990 687 R CB 0.199 30.523 30.300 0.040 0.000 0.889 687 R HN 0.225 nan 8.270 nan 0.000 0.452 688 N N 0.708 119.556 118.700 0.246 0.000 2.399 688 N HA 0.092 4.850 4.740 0.029 0.000 0.284 688 N C -0.318 175.276 175.510 0.141 0.000 1.025 688 N CA -0.254 52.913 53.050 0.195 0.000 0.885 688 N CB 1.801 40.346 38.487 0.097 0.000 1.339 688 N HN -0.007 nan 8.380 nan 0.000 0.487 689 K N 2.070 122.463 120.400 -0.012 0.000 2.063 689 K HA -0.170 4.167 4.320 0.029 0.000 0.208 689 K C 1.658 178.173 176.600 -0.141 0.000 1.048 689 K CA 1.199 57.366 56.287 -0.200 0.000 0.928 689 K CB 0.224 32.374 32.500 -0.583 0.000 0.713 689 K HN 0.519 nan 8.250 nan 0.000 0.442 690 R N 1.220 121.633 120.500 -0.144 0.000 2.062 690 R HA -0.083 4.274 4.340 0.029 0.000 0.231 690 R C 2.304 178.661 176.300 0.095 0.000 1.136 690 R CA 1.233 57.280 56.100 -0.089 0.000 0.948 690 R CB -0.229 29.969 30.300 -0.171 0.000 0.845 690 R HN 0.106 nan 8.270 nan 0.000 0.430 691 I N 0.281 120.880 120.570 0.047 0.000 2.208 691 I HA -0.213 3.974 4.170 0.029 0.000 0.245 691 I C 2.450 178.576 176.117 0.014 0.000 1.097 691 I CA 1.561 62.894 61.300 0.054 0.000 1.363 691 I CB -0.699 37.302 38.000 0.002 0.000 1.051 691 I HN 0.450 nan 8.210 nan 0.000 0.413 692 G N -0.413 108.395 108.800 0.013 0.000 2.450 692 G HA2 -0.326 3.651 3.960 0.029 0.000 0.220 692 G HA3 -0.326 3.651 3.960 0.029 0.000 0.220 692 G C 1.421 176.315 174.900 -0.011 0.000 1.130 692 G CA 1.281 46.305 45.100 -0.126 0.000 0.760 692 G HN 0.475 nan 8.290 nan 0.000 0.557 693 H N -0.174 118.925 119.070 0.047 0.000 2.276 693 H HA 0.017 4.591 4.556 0.029 0.000 0.301 693 H C 2.133 177.408 175.328 -0.088 0.000 1.073 693 H CA 1.619 57.701 56.048 0.057 0.000 1.311 693 H CB -0.338 29.306 29.762 -0.198 0.000 1.379 693 H HN 0.302 nan 8.280 nan 0.000 0.494 694 F N -0.387 119.533 119.950 -0.049 0.000 2.365 694 F HA -0.085 4.460 4.527 0.029 0.000 0.300 694 F C 2.265 177.641 175.800 -0.706 0.000 1.090 694 F CA 0.499 58.216 58.000 -0.472 0.000 1.408 694 F CB -0.264 38.445 39.000 -0.485 0.000 1.060 694 F HN 0.240 nan 8.300 nan 0.000 0.534 695 L N -0.290 120.797 121.223 -0.227 0.000 1.994 695 L HA -0.205 4.153 4.340 0.029 0.000 0.208 695 L C 2.274 178.950 176.870 -0.322 0.000 1.071 695 L CA 1.620 56.310 54.840 -0.250 0.000 0.745 695 L CB -1.186 40.636 42.059 -0.395 0.000 0.892 695 L HN 0.182 nan 8.230 nan 0.000 0.431 696 F N -0.744 118.858 119.950 -0.579 0.000 2.043 696 F HA -0.329 4.215 4.527 0.029 0.000 0.297 696 F C 1.914 177.338 175.800 -0.626 0.000 1.118 696 F CA 2.319 59.895 58.000 -0.706 0.000 1.202 696 F CB -0.676 37.626 39.000 -1.164 0.000 0.965 696 F HN 0.151 nan 8.300 nan 0.000 0.482 697 W N -0.709 120.406 121.300 -0.309 0.000 2.467 697 W HA -0.042 4.636 4.660 0.029 0.000 0.275 697 W C 2.333 178.755 176.519 -0.162 0.000 1.239 697 W CA 0.769 57.950 57.345 -0.273 0.000 1.266 697 W CB -0.673 28.641 29.460 -0.243 0.000 1.112 697 W HN 0.024 nan 8.180 nan 0.000 0.576 698 F N -0.441 119.503 119.950 -0.010 0.000 2.259 698 F HA -0.132 4.413 4.527 0.029 0.000 0.298 698 F C 2.016 177.638 175.800 -0.296 0.000 1.088 698 F CA 0.482 58.416 58.000 -0.110 0.000 1.358 698 F CB -0.413 38.519 39.000 -0.113 0.000 1.040 698 F HN -0.192 nan 8.300 nan 0.000 0.505 699 L N -0.340 120.749 121.223 -0.225 0.000 2.095 699 L HA -0.096 4.261 4.340 0.029 0.000 0.204 699 L C 2.498 179.178 176.870 -0.317 0.000 1.080 699 L CA 0.918 55.505 54.840 -0.421 0.000 0.759 699 L CB -0.558 41.253 42.059 -0.413 0.000 0.914 699 L HN -0.003 nan 8.230 nan 0.000 0.439 700 R N -0.099 120.152 120.500 -0.415 0.000 2.120 700 R HA -0.181 4.177 4.340 0.029 0.000 0.234 700 R C 2.595 178.831 176.300 -0.106 0.000 1.123 700 R CA 1.425 57.301 56.100 -0.373 0.000 0.975 700 R CB -0.142 29.731 30.300 -0.712 0.000 0.866 700 R HN 0.273 nan 8.270 nan 0.000 0.446 701 S N 0.297 115.989 115.700 -0.014 0.000 2.365 701 S HA -0.169 4.319 4.470 0.029 0.000 0.225 701 S C 1.581 176.213 174.600 0.054 0.000 1.039 701 S CA 1.475 59.721 58.200 0.075 0.000 1.033 701 S CB -0.075 63.197 63.200 0.120 0.000 0.887 701 S HN 0.383 nan 8.310 nan 0.000 0.447 702 E N 0.659 120.879 120.200 0.033 0.000 2.140 702 E HA 0.133 4.500 4.350 0.029 0.000 0.191 702 E C 2.146 178.841 176.600 0.159 0.000 0.973 702 E CA 0.614 57.099 56.400 0.142 0.000 0.829 702 E CB -0.420 29.466 29.700 0.310 0.000 0.781 702 E HN 0.614 nan 8.360 nan 0.000 0.466 703 I N 1.307 121.942 120.570 0.108 0.000 2.530 703 I HA -0.244 3.943 4.170 0.029 0.000 0.257 703 I C 2.150 178.285 176.117 0.031 0.000 1.179 703 I CA 1.125 62.447 61.300 0.036 0.000 1.440 703 I CB -0.143 37.834 38.000 -0.037 0.000 1.087 703 I HN -0.012 nan 8.210 nan 0.000 0.440 704 A N 0.071 122.922 122.820 0.052 0.000 2.140 704 A HA 0.005 4.343 4.320 0.029 0.000 0.209 704 A C 1.724 179.360 177.584 0.087 0.000 1.181 704 A CA 0.252 52.331 52.037 0.072 0.000 0.824 704 A CB 0.041 19.085 19.000 0.074 0.000 0.879 704 A HN 0.569 nan 8.150 nan 0.000 0.480 705 Q N -1.525 118.328 119.800 0.089 0.000 2.086 705 Q HA 0.398 4.756 4.340 0.029 0.000 0.220 705 Q C -0.271 175.787 176.000 0.096 0.000 0.792 705 Q CA 0.111 55.970 55.803 0.093 0.000 1.062 705 Q CB 0.288 29.079 28.738 0.089 0.000 1.198 705 Q HN 0.174 nan 8.270 nan 0.000 0.466 706 S N 0.690 116.450 115.700 0.099 0.000 2.746 706 S HA 0.355 4.843 4.470 0.029 0.000 0.273 706 S C 0.435 175.084 174.600 0.081 0.000 1.172 706 S CA -0.654 57.613 58.200 0.111 0.000 1.116 706 S CB 0.743 64.021 63.200 0.131 0.000 1.057 706 S HN 0.372 nan 8.310 nan 0.000 0.483 707 R N 2.307 122.865 120.500 0.097 0.000 2.148 707 R HA -0.033 4.324 4.340 0.029 0.000 0.223 707 R C 0.877 177.120 176.300 -0.095 0.000 1.088 707 R CA 1.169 57.303 56.100 0.055 0.000 0.985 707 R CB -0.381 30.026 30.300 0.178 0.000 0.880 707 R HN 0.686 nan 8.270 nan 0.000 0.451 708 H N -1.116 117.714 119.070 -0.400 0.000 2.457 708 H HA -0.077 4.496 4.556 0.029 0.000 0.294 708 H C 0.558 175.421 175.328 -0.777 0.000 1.064 708 H CA 1.299 56.883 56.048 -0.773 0.000 1.330 708 H CB 0.048 29.256 29.762 -0.922 0.000 1.395 708 H HN 0.278 nan 8.280 nan 0.000 0.541 709 Y N -0.785 119.390 120.300 -0.210 0.000 2.590 709 Y HA 0.015 4.582 4.550 0.029 0.000 0.263 709 Y C 1.915 177.534 175.900 -0.468 0.000 1.069 709 Y CA -0.299 57.542 58.100 -0.431 0.000 1.242 709 Y CB 0.507 38.534 38.460 -0.722 0.000 1.357 709 Y HN 0.157 nan 8.280 nan 0.000 0.556 710 Q N 0.608 120.297 119.800 -0.183 0.000 2.152 710 Q HA -0.281 4.076 4.340 0.029 0.000 0.206 710 Q C 1.266 176.985 176.000 -0.469 0.000 0.985 710 Q CA 2.153 57.804 55.803 -0.253 0.000 0.863 710 Q CB -0.398 28.175 28.738 -0.276 0.000 0.904 710 Q HN 0.545 nan 8.270 nan 0.000 0.422 711 Q N 0.520 120.029 119.800 -0.485 0.000 2.050 711 Q HA -0.151 4.207 4.340 0.029 0.000 0.202 711 Q C 2.272 178.058 176.000 -0.356 0.000 0.980 711 Q CA 1.636 57.163 55.803 -0.461 0.000 0.840 711 Q CB -0.165 28.411 28.738 -0.270 0.000 0.898 711 Q HN 0.397 nan 8.270 nan 0.000 0.424 712 R N 0.362 120.637 120.500 -0.375 0.000 2.061 712 R HA -0.110 4.247 4.340 0.029 0.000 0.230 712 R C 2.162 178.394 176.300 -0.113 0.000 1.140 712 R CA 1.360 57.233 56.100 -0.378 0.000 0.940 712 R CB -0.356 29.765 30.300 -0.298 0.000 0.839 712 R HN 0.242 nan 8.270 nan 0.000 0.429 713 F N 0.739 120.612 119.950 -0.128 0.000 2.115 713 F HA -0.299 4.245 4.527 0.028 0.000 0.300 713 F C 2.634 178.348 175.800 -0.143 0.000 1.092 713 F CA 0.564 58.489 58.000 -0.124 0.000 1.245 713 F CB -0.268 38.657 39.000 -0.126 0.000 0.995 713 F HN 0.313 nan 8.300 nan 0.000 0.481 714 A N -0.052 122.771 122.820 0.005 0.000 1.902 714 A HA -0.151 4.187 4.320 0.029 0.000 0.217 714 A C 2.227 179.806 177.584 -0.008 0.000 1.181 714 A CA 1.713 53.727 52.037 -0.038 0.000 0.623 714 A CB -1.161 17.779 19.000 -0.101 0.000 0.818 714 A HN 0.178 nan 8.150 nan 0.000 0.443 715 V N 0.194 120.093 119.914 -0.026 0.000 2.490 715 V HA -0.257 3.880 4.120 0.029 0.000 0.250 715 V C 2.354 178.457 176.094 0.016 0.000 1.061 715 V CA 1.940 64.234 62.300 -0.011 0.000 1.064 715 V CB -0.607 31.189 31.823 -0.045 0.000 0.670 715 V HN 0.567 nan 8.190 nan 0.000 0.461 716 I N -1.041 119.550 120.570 0.034 0.000 2.286 716 I HA -0.197 3.990 4.170 0.029 0.000 0.245 716 I C 2.344 178.488 176.117 0.044 0.000 1.104 716 I CA 1.221 62.553 61.300 0.054 0.000 1.397 716 I CB -0.212 37.838 38.000 0.083 0.000 1.072 716 I HN 0.270 nan 8.210 nan 0.000 0.417 717 L N 0.881 122.106 121.223 0.003 0.000 1.994 717 L HA -0.263 4.094 4.340 0.029 0.000 0.208 717 L C 2.673 179.569 176.870 0.043 0.000 1.071 717 L CA 1.832 56.663 54.840 -0.016 0.000 0.745 717 L CB -0.455 41.519 42.059 -0.142 0.000 0.892 717 L HN 0.350 nan 8.230 nan 0.000 0.431 718 E N -0.023 120.180 120.200 0.004 0.000 2.097 718 E HA -0.299 4.068 4.350 0.029 0.000 0.196 718 E C 1.993 178.601 176.600 0.013 0.000 1.000 718 E CA 1.491 57.884 56.400 -0.012 0.000 0.804 718 E CB -0.039 29.644 29.700 -0.029 0.000 0.740 718 E HN 0.581 nan 8.360 nan 0.000 0.454 719 A N 0.485 123.330 122.820 0.041 0.000 1.917 719 A HA -0.237 4.100 4.320 0.029 0.000 0.219 719 A C 2.082 179.722 177.584 0.093 0.000 1.182 719 A CA 1.779 53.851 52.037 0.058 0.000 0.633 719 A CB -1.017 18.022 19.000 0.066 0.000 0.819 719 A HN 0.630 nan 8.150 nan 0.000 0.448 720 Y N 0.388 120.691 120.300 0.006 0.000 2.184 720 Y HA -0.065 4.502 4.550 0.029 0.000 0.290 720 Y C 1.912 177.849 175.900 0.061 0.000 1.129 720 Y CA 1.549 59.664 58.100 0.026 0.000 1.144 720 Y CB -0.381 38.084 38.460 0.009 0.000 0.995 720 Y HN 0.192 nan 8.280 nan 0.000 0.513 721 L N 0.128 121.267 121.223 -0.140 0.000 2.079 721 L HA -0.225 4.132 4.340 0.029 0.000 0.210 721 L C 2.248 179.062 176.870 -0.094 0.000 1.081 721 L CA 1.525 56.259 54.840 -0.177 0.000 0.752 721 L CB -0.519 41.526 42.059 -0.024 0.000 0.896 721 L HN 0.144 nan 8.230 nan 0.000 0.433 722 R N -0.179 120.304 120.500 -0.028 0.000 2.339 722 R HA -0.000 4.357 4.340 0.029 0.000 0.199 722 R C 1.166 177.486 176.300 0.033 0.000 1.018 722 R CA 0.638 56.785 56.100 0.079 0.000 1.036 722 R CB -0.036 30.313 30.300 0.081 0.000 0.899 722 R HN 0.375 nan 8.270 nan 0.000 0.473 723 G N -0.928 107.833 108.800 -0.065 0.000 4.750 723 G HA2 -0.046 3.932 3.960 0.029 0.000 0.266 723 G HA3 -0.046 3.932 3.960 0.029 0.000 0.266 723 G C 0.755 175.584 174.900 -0.117 0.000 1.000 723 G CA -0.222 44.837 45.100 -0.068 0.000 0.776 723 G HN 0.387 nan 8.290 nan 0.000 0.357 724 C N -0.876 118.295 119.300 -0.215 0.000 2.512 724 C HA 0.641 5.118 4.460 0.029 0.000 0.276 724 C C 1.369 176.379 174.990 0.032 0.000 1.368 724 C CA 0.255 59.166 59.018 -0.179 0.000 1.755 724 C CB -0.674 26.758 27.740 -0.513 0.000 2.008 724 C HN 1.437 nan 8.230 nan 0.000 0.511 725 G N -0.472 108.329 108.800 0.001 0.000 2.465 725 G HA2 0.129 4.106 3.960 0.029 0.000 0.681 725 G HA3 0.129 4.106 3.960 0.029 0.000 0.681 725 G C -0.062 174.843 174.900 0.007 0.000 1.340 725 G CA -0.066 45.053 45.100 0.033 0.000 0.884 725 G HN 0.219 nan 8.290 nan 0.000 0.650 726 T N 0.824 115.380 114.554 0.003 0.000 3.055 726 T HA 0.248 4.615 4.350 0.029 0.000 0.265 726 T C 2.547 177.253 174.700 0.010 0.000 1.111 726 T CA 2.134 64.236 62.100 0.004 0.000 1.118 726 T CB 0.046 68.900 68.868 -0.022 0.000 0.909 726 T HN 1.365 nan 8.240 nan 0.000 0.501 727 A N 1.461 124.277 122.820 -0.007 0.000 1.930 727 A HA 0.141 4.478 4.320 0.029 0.000 0.215 727 A C 2.272 179.792 177.584 -0.106 0.000 1.176 727 A CA 0.711 52.738 52.037 -0.017 0.000 0.632 727 A CB -0.367 18.616 19.000 -0.029 0.000 0.819 727 A HN 0.284 nan 8.150 nan 0.000 0.445 728 M N -0.480 119.018 119.600 -0.169 0.000 2.132 728 M HA -0.022 4.475 4.480 0.029 0.000 0.263 728 M C 2.161 178.204 176.300 -0.429 0.000 1.065 728 M CA 1.157 56.216 55.300 -0.402 0.000 1.122 728 M CB -1.070 31.361 32.600 -0.282 0.000 1.365 728 M HN 0.392 nan 8.290 nan 0.000 0.411 729 L N -0.765 120.401 121.223 -0.095 0.000 1.989 729 L HA -0.289 4.068 4.340 0.029 0.000 0.211 729 L C 2.693 179.582 176.870 0.033 0.000 1.071 729 L CA 1.789 56.661 54.840 0.054 0.000 0.749 729 L CB -1.056 41.073 42.059 0.115 0.000 0.890 729 L HN 0.323 nan 8.230 nan 0.000 0.431 730 H N 0.244 119.275 119.070 -0.066 0.000 2.289 730 H HA -0.239 4.335 4.556 0.029 0.000 0.294 730 H C 1.900 177.174 175.328 -0.089 0.000 1.095 730 H CA 2.247 58.261 56.048 -0.057 0.000 1.256 730 H CB -0.385 29.341 29.762 -0.059 0.000 1.359 730 H HN 0.259 nan 8.280 nan 0.000 0.487 731 D N -0.242 119.875 120.400 -0.472 0.000 2.103 731 D HA -0.199 4.458 4.640 0.029 0.000 0.190 731 D C 2.464 178.561 176.300 -0.339 0.000 0.997 731 D CA 1.686 55.362 54.000 -0.540 0.000 0.833 731 D CB -0.844 39.604 40.800 -0.587 0.000 0.961 731 D HN 0.448 nan 8.370 nan 0.000 0.447 732 F N 0.891 120.665 119.950 -0.293 0.000 2.120 732 F HA -0.234 4.310 4.527 0.029 0.000 0.300 732 F C 2.685 178.354 175.800 -0.219 0.000 1.095 732 F CA 1.243 58.985 58.000 -0.430 0.000 1.249 732 F CB -0.549 37.996 39.000 -0.758 0.000 0.995 732 F HN -0.033 nan 8.300 nan 0.000 0.480 733 T N -0.688 113.901 114.554 0.058 0.000 2.759 733 T HA -0.239 4.128 4.350 0.029 0.000 0.269 733 T C 1.764 176.507 174.700 0.072 0.000 1.042 733 T CA 1.353 63.499 62.100 0.077 0.000 1.140 733 T CB -0.337 68.590 68.868 0.099 0.000 0.864 733 T HN 0.378 nan 8.240 nan 0.000 0.455 734 Q N 0.702 120.519 119.800 0.028 0.000 2.049 734 Q HA -0.096 4.262 4.340 0.029 0.000 0.198 734 Q C 2.670 178.736 176.000 0.109 0.000 0.971 734 Q CA 1.117 56.950 55.803 0.049 0.000 0.833 734 Q CB -0.183 28.551 28.738 -0.007 0.000 0.896 734 Q HN 0.654 nan 8.270 nan 0.000 0.434 735 Q N -0.058 119.851 119.800 0.182 0.000 2.135 735 Q HA -0.144 4.213 4.340 0.029 0.000 0.204 735 Q C 2.184 178.405 176.000 0.369 0.000 0.981 735 Q CA 1.380 57.389 55.803 0.343 0.000 0.856 735 Q CB -0.147 28.923 28.738 0.554 0.000 0.902 735 Q HN 0.188 nan 8.270 nan 0.000 0.425 736 V N 1.160 121.252 119.914 0.296 0.000 2.427 736 V HA -0.259 3.878 4.120 0.029 0.000 0.248 736 V C 2.154 178.349 176.094 0.167 0.000 1.051 736 V CA 1.791 64.250 62.300 0.265 0.000 1.048 736 V CB -0.417 31.506 31.823 0.167 0.000 0.666 736 V HN 0.368 nan 8.190 nan 0.000 0.456 737 Q N -0.783 119.079 119.800 0.103 0.000 2.079 737 Q HA -0.152 4.205 4.340 0.029 0.000 0.200 737 Q C 2.327 178.326 176.000 -0.003 0.000 0.974 737 Q CA 1.682 57.514 55.803 0.048 0.000 0.840 737 Q CB -0.227 28.532 28.738 0.035 0.000 0.898 737 Q HN 0.537 nan 8.270 nan 0.000 0.430 738 V N 1.478 121.358 119.914 -0.056 0.000 2.261 738 V HA -0.278 3.860 4.120 0.029 0.000 0.246 738 V C 2.263 178.288 176.094 -0.116 0.000 1.047 738 V CA 2.023 64.195 62.300 -0.212 0.000 1.015 738 V CB -0.689 30.771 31.823 -0.605 0.000 0.642 738 V HN 0.489 nan 8.190 nan 0.000 0.446 739 I N -0.951 119.651 120.570 0.054 0.000 2.493 739 I HA -0.149 4.039 4.170 0.029 0.000 0.254 739 I C 2.118 178.295 176.117 0.100 0.000 1.160 739 I CA 1.623 63.036 61.300 0.190 0.000 1.445 739 I CB -0.803 37.409 38.000 0.352 0.000 1.086 739 I HN 0.284 nan 8.210 nan 0.000 0.433 740 E N 0.622 120.869 120.200 0.079 0.000 2.106 740 E HA -0.148 4.219 4.350 0.029 0.000 0.192 740 E C 2.149 178.744 176.600 -0.009 0.000 0.984 740 E CA 1.642 58.074 56.400 0.053 0.000 0.806 740 E CB -0.130 29.605 29.700 0.059 0.000 0.750 740 E HN 0.595 nan 8.360 nan 0.000 0.458 741 M N -0.119 119.450 119.600 -0.053 0.000 2.134 741 M HA -0.070 4.427 4.480 0.029 0.000 0.262 741 M C 2.148 178.355 176.300 -0.155 0.000 1.076 741 M CA 1.096 56.345 55.300 -0.085 0.000 1.143 741 M CB -0.123 32.427 32.600 -0.084 0.000 1.346 741 M HN 0.078 nan 8.290 nan 0.000 0.421 742 L N -0.053 121.000 121.223 -0.283 0.000 2.362 742 L HA -0.166 4.192 4.340 0.029 0.000 0.219 742 L C 2.421 178.986 176.870 -0.509 0.000 1.134 742 L CA 0.883 55.405 54.840 -0.530 0.000 0.807 742 L CB -0.586 40.853 42.059 -1.034 0.000 0.927 742 L HN 0.437 nan 8.230 nan 0.000 0.447 743 Q N -0.137 119.509 119.800 -0.256 0.000 2.137 743 Q HA -0.138 4.219 4.340 0.029 0.000 0.198 743 Q C 2.125 178.100 176.000 -0.040 0.000 0.960 743 Q CA 0.874 56.645 55.803 -0.053 0.000 0.847 743 Q CB 0.131 28.917 28.738 0.079 0.000 0.915 743 Q HN 0.424 nan 8.270 nan 0.000 0.448 744 K N 0.108 120.475 120.400 -0.054 0.000 2.044 744 K HA -0.168 4.169 4.320 0.029 0.000 0.210 744 K C 2.005 178.576 176.600 -0.049 0.000 1.049 744 K CA 1.622 57.884 56.287 -0.042 0.000 0.927 744 K CB -0.160 32.316 32.500 -0.040 0.000 0.713 744 K HN 0.053 nan 8.250 nan 0.000 0.443 745 V N 1.100 120.971 119.914 -0.073 0.000 2.626 745 V HA -0.195 3.942 4.120 0.029 0.000 0.252 745 V C 2.010 178.086 176.094 -0.031 0.000 1.067 745 V CA 1.962 64.227 62.300 -0.058 0.000 1.081 745 V CB -0.596 31.178 31.823 -0.081 0.000 0.686 745 V HN 0.397 nan 8.190 nan 0.000 0.468 746 T N 0.264 114.802 114.554 -0.026 0.000 2.942 746 T HA 0.049 4.417 4.350 0.029 0.000 0.265 746 T C 1.813 176.520 174.700 0.013 0.000 1.062 746 T CA 1.115 63.236 62.100 0.036 0.000 1.139 746 T CB -0.110 68.826 68.868 0.112 0.000 0.883 746 T HN 0.320 nan 8.240 nan 0.000 0.468 747 L N 0.693 121.895 121.223 -0.035 0.000 2.127 747 L HA 0.039 4.397 4.340 0.029 0.000 0.203 747 L C 2.404 179.237 176.870 -0.062 0.000 1.080 747 L CA 0.844 55.623 54.840 -0.102 0.000 0.768 747 L CB -0.412 41.566 42.059 -0.136 0.000 0.924 747 L HN 0.064 nan 8.230 nan 0.000 0.444 748 D N 0.449 120.826 120.400 -0.038 0.000 2.117 748 D HA -0.165 4.492 4.640 0.029 0.000 0.197 748 D C 2.152 178.446 176.300 -0.011 0.000 0.987 748 D CA 1.362 55.347 54.000 -0.024 0.000 0.829 748 D CB 0.009 40.797 40.800 -0.020 0.000 0.961 748 D HN 0.190 nan 8.370 nan 0.000 0.460 749 I N 0.982 121.550 120.570 -0.003 0.000 2.439 749 I HA -0.150 4.038 4.170 0.029 0.000 0.251 749 I C 2.266 178.394 176.117 0.018 0.000 1.139 749 I CA 0.920 62.227 61.300 0.012 0.000 1.438 749 I CB -0.177 37.837 38.000 0.024 0.000 1.085 749 I HN -0.119 nan 8.210 nan 0.000 0.427 750 K N 0.294 120.704 120.400 0.015 0.000 2.097 750 K HA -0.123 4.215 4.320 0.029 0.000 0.205 750 K C 2.098 178.708 176.600 0.018 0.000 1.050 750 K CA 1.490 57.793 56.287 0.027 0.000 0.938 750 K CB -0.031 32.485 32.500 0.027 0.000 0.718 750 K HN 0.424 nan 8.250 nan 0.000 0.442 751 S N 0.308 116.008 115.700 0.000 0.000 2.607 751 S HA 0.016 4.503 4.470 0.029 0.000 0.224 751 S C 1.467 176.072 174.600 0.008 0.000 0.969 751 S CA 0.266 58.468 58.200 0.002 0.000 0.927 751 S CB -0.181 63.014 63.200 -0.009 0.000 0.772 751 S HN 0.264 nan 8.310 nan 0.000 0.533 752 L N 1.985 123.214 121.223 0.011 0.000 2.592 752 L HA 0.301 4.659 4.340 0.029 0.000 0.227 752 L C 0.173 177.053 176.870 0.016 0.000 1.127 752 L CA -0.137 54.710 54.840 0.012 0.000 0.884 752 L CB -0.727 41.339 42.059 0.011 0.000 1.065 752 L HN 0.469 nan 8.230 nan 0.000 0.457 753 S N -1.555 114.157 115.700 0.020 0.000 2.606 753 S HA 0.701 5.188 4.470 0.029 0.000 0.290 753 S C -0.718 173.899 174.600 0.029 0.000 1.103 753 S CA -0.586 57.628 58.200 0.023 0.000 0.870 753 S CB 1.716 64.930 63.200 0.023 0.000 1.077 753 S HN 0.053 nan 8.310 nan 0.000 0.448 754 A N 1.190 124.027 122.820 0.027 0.000 2.616 754 A HA 1.004 5.341 4.320 0.029 0.000 0.253 754 A C 0.375 177.977 177.584 0.029 0.000 1.239 754 A CA -0.140 51.916 52.037 0.031 0.000 0.914 754 A CB -0.510 18.507 19.000 0.028 0.000 1.454 754 A HN 1.843 nan 8.150 nan 0.000 0.460 755 E N -2.319 117.897 120.200 0.028 0.000 2.467 755 E HA 0.442 4.810 4.350 0.029 0.000 0.264 755 E C 0.928 177.539 176.600 0.018 0.000 1.020 755 E CA 1.370 57.784 56.400 0.023 0.000 0.945 755 E CB -0.902 28.809 29.700 0.019 0.000 0.942 755 E HN 2.444 nan 8.360 nan 0.000 0.449 756 K N -3.045 117.364 120.400 0.015 0.000 3.500 756 K HA -0.174 4.164 4.320 0.029 0.000 0.313 756 K C 1.775 178.383 176.600 0.013 0.000 1.338 756 K CA 2.496 58.791 56.287 0.012 0.000 0.963 756 K CB -2.993 29.513 32.500 0.010 0.000 1.267 756 K HN 2.151 nan 8.250 nan 0.000 0.448 757 Y N -0.179 120.130 120.300 0.016 0.000 2.395 757 Y HA 0.213 4.780 4.550 0.029 0.000 0.293 757 Y C 1.926 177.834 175.900 0.014 0.000 1.123 757 Y CA 2.098 60.208 58.100 0.016 0.000 1.227 757 Y CB -0.258 38.215 38.460 0.020 0.000 1.012 757 Y HN 0.897 nan 8.280 nan 0.000 0.552 758 D N -0.654 119.755 120.400 0.014 0.000 3.927 758 D HA -0.253 4.405 4.640 0.029 0.000 0.142 758 D C -0.513 175.794 176.300 0.013 0.000 0.830 758 D CA 2.827 56.834 54.000 0.011 0.000 1.091 758 D CB -1.176 39.628 40.800 0.007 0.000 0.495 758 D HN 0.839 nan 8.370 nan 0.000 0.489 759 V N -0.687 119.233 119.914 0.009 0.000 2.752 759 V HA 0.583 4.720 4.120 0.029 0.000 0.302 759 V C -0.226 175.872 176.094 0.006 0.000 1.133 759 V CA -0.414 61.891 62.300 0.009 0.000 0.919 759 V CB 1.605 33.433 31.823 0.007 0.000 1.026 759 V HN 0.528 nan 8.190 nan 0.000 0.429 760 S N 1.656 117.361 115.700 0.008 0.000 2.621 760 S HA 0.542 5.029 4.470 0.029 0.000 0.302 760 S C 0.971 175.574 174.600 0.006 0.000 1.093 760 S CA -0.228 57.976 58.200 0.006 0.000 1.017 760 S CB 2.130 65.334 63.200 0.007 0.000 1.077 760 S HN 0.772 nan 8.310 nan 0.000 0.517 761 S N 2.112 117.814 115.700 0.004 0.000 2.607 761 S HA 0.029 4.516 4.470 0.029 0.000 0.224 761 S C 1.667 176.270 174.600 0.005 0.000 0.969 761 S CA 0.180 58.383 58.200 0.004 0.000 0.927 761 S CB -0.102 63.099 63.200 0.002 0.000 0.772 761 S HN 0.659 nan 8.310 nan 0.000 0.533 762 Q N 0.316 120.120 119.800 0.006 0.000 2.224 762 Q HA -0.050 4.307 4.340 0.029 0.000 0.203 762 Q C 1.936 177.940 176.000 0.007 0.000 0.970 762 Q CA 1.043 56.849 55.803 0.006 0.000 0.865 762 Q CB -0.061 28.681 28.738 0.006 0.000 0.922 762 Q HN 0.393 nan 8.270 nan 0.000 0.445 763 V N 0.243 120.163 119.914 0.009 0.000 2.379 763 V HA -0.189 3.948 4.120 0.029 0.000 0.243 763 V C 1.852 177.953 176.094 0.013 0.000 1.035 763 V CA 0.956 63.264 62.300 0.012 0.000 1.035 763 V CB -0.134 31.699 31.823 0.017 0.000 0.673 763 V HN 0.239 nan 8.190 nan 0.000 0.457 764 I N 0.034 120.611 120.570 0.011 0.000 2.700 764 I HA -0.162 4.026 4.170 0.029 0.000 0.261 764 I C 2.471 178.593 176.117 0.008 0.000 1.219 764 I CA 1.570 62.876 61.300 0.010 0.000 1.463 764 I CB -0.499 37.505 38.000 0.005 0.000 1.092 764 I HN 0.244 nan 8.210 nan 0.000 0.452 765 S N -0.870 114.834 115.700 0.006 0.000 2.427 765 S HA -0.049 4.438 4.470 0.029 0.000 0.224 765 S C 1.986 176.589 174.600 0.004 0.000 1.047 765 S CA 0.298 58.501 58.200 0.005 0.000 0.953 765 S CB 0.005 63.208 63.200 0.004 0.000 0.824 765 S HN 0.311 nan 8.310 nan 0.000 0.502 766 Q N 1.210 121.013 119.800 0.005 0.000 2.050 766 Q HA -0.044 4.313 4.340 0.029 0.000 0.202 766 Q C 2.216 178.218 176.000 0.003 0.000 0.980 766 Q CA 0.964 56.770 55.803 0.004 0.000 0.840 766 Q CB -0.782 27.959 28.738 0.004 0.000 0.898 766 Q HN 0.455 nan 8.270 nan 0.000 0.424 767 L N 1.370 122.597 121.223 0.008 0.000 1.994 767 L HA -0.175 4.182 4.340 0.029 0.000 0.208 767 L C 1.405 178.277 176.870 0.004 0.000 1.071 767 L CA 1.865 56.710 54.840 0.009 0.000 0.745 767 L CB -0.452 41.619 42.059 0.021 0.000 0.892 767 L HN 0.189 nan 8.230 nan 0.000 0.431 768 K N -0.491 119.912 120.400 0.006 0.000 2.589 768 K HA -0.078 4.260 4.320 0.029 0.000 0.192 768 K C 1.643 178.243 176.600 -0.001 0.000 1.029 768 K CA 0.292 56.580 56.287 0.002 0.000 1.031 768 K CB 0.139 32.642 32.500 0.005 0.000 0.821 768 K HN 0.557 nan 8.250 nan 0.000 0.502 769 Q N -0.060 119.739 119.800 -0.001 0.000 2.378 769 Q HA 0.072 4.430 4.340 0.029 0.000 0.229 769 Q C 1.276 177.273 176.000 -0.005 0.000 0.882 769 Q CA 0.336 56.138 55.803 -0.002 0.000 0.936 769 Q CB 0.556 29.294 28.738 -0.001 0.000 1.092 769 Q HN 0.172 nan 8.270 nan 0.000 0.535 770 K N 0.358 120.753 120.400 -0.008 0.000 2.186 770 K HA 0.078 4.415 4.320 0.029 0.000 0.202 770 K C 1.658 178.247 176.600 -0.019 0.000 1.052 770 K CA 0.467 56.745 56.287 -0.014 0.000 0.965 770 K CB 0.270 32.760 32.500 -0.017 0.000 0.746 770 K HN 0.105 nan 8.250 nan 0.000 0.457 771 L N 1.514 122.726 121.223 -0.020 0.000 2.549 771 L HA -0.127 4.231 4.340 0.029 0.000 0.229 771 L C 1.748 178.608 176.870 -0.017 0.000 1.158 771 L CA 0.537 55.361 54.840 -0.026 0.000 0.842 771 L CB -0.408 41.632 42.059 -0.032 0.000 0.952 771 L HN 0.188 nan 8.230 nan 0.000 0.452 772 E N 0.168 120.362 120.200 -0.010 0.000 2.030 772 E HA -0.104 4.264 4.350 0.029 0.000 0.189 772 E C 1.724 178.323 176.600 -0.002 0.000 0.974 772 E CA 0.733 57.130 56.400 -0.004 0.000 0.807 772 E CB -0.526 29.172 29.700 -0.002 0.000 0.771 772 E HN 0.388 nan 8.360 nan 0.000 0.451 773 N N 1.519 120.216 118.700 -0.005 0.000 2.089 773 N HA -0.191 4.566 4.740 0.029 0.000 0.198 773 N C 2.073 177.581 175.510 -0.003 0.000 1.017 773 N CA 1.302 54.349 53.050 -0.004 0.000 0.880 773 N CB -0.616 37.867 38.487 -0.008 0.000 1.042 773 N HN 0.160 nan 8.380 nan 0.000 0.446 774 L N -0.187 121.031 121.223 -0.008 0.000 2.007 774 L HA -0.094 4.263 4.340 0.029 0.000 0.205 774 L C 2.419 179.294 176.870 0.009 0.000 1.073 774 L CA 1.007 55.844 54.840 -0.006 0.000 0.744 774 L CB -0.697 41.350 42.059 -0.019 0.000 0.898 774 L HN 0.085 nan 8.230 nan 0.000 0.435 775 Q N 0.788 120.595 119.800 0.010 0.000 2.096 775 Q HA -0.206 4.151 4.340 0.029 0.000 0.208 775 Q C 1.741 177.757 176.000 0.025 0.000 0.993 775 Q CA 1.732 57.549 55.803 0.023 0.000 0.862 775 Q CB -0.380 28.366 28.738 0.014 0.000 0.915 775 Q HN 0.603 nan 8.270 nan 0.000 0.416 776 N N -0.914 117.796 118.700 0.017 0.000 2.280 776 N HA 0.005 4.762 4.740 0.029 0.000 0.192 776 N C 1.190 176.710 175.510 0.017 0.000 1.109 776 N CA 0.732 53.793 53.050 0.017 0.000 0.855 776 N CB 0.811 39.306 38.487 0.013 0.000 0.974 776 N HN 0.213 nan 8.380 nan 0.000 0.482 777 S N -0.724 114.986 115.700 0.016 0.000 3.608 777 S HA 0.070 4.558 4.470 0.029 0.000 0.234 777 S C 1.969 176.579 174.600 0.017 0.000 1.077 777 S CA 0.600 58.809 58.200 0.015 0.000 0.827 777 S CB -0.149 63.057 63.200 0.009 0.000 0.964 777 S HN 0.129 nan 8.310 nan 0.000 0.547 778 Q N 1.378 121.186 119.800 0.013 0.000 2.159 778 Q HA 0.516 4.873 4.340 0.029 0.000 0.194 778 Q C 1.265 177.276 176.000 0.017 0.000 0.968 778 Q CA 0.726 56.536 55.803 0.012 0.000 0.837 778 Q CB -1.180 27.558 28.738 0.001 0.000 0.920 778 Q HN 0.700 nan 8.270 nan 0.000 0.485 779 L N 2.985 124.216 121.223 0.014 0.000 2.771 779 L HA 0.060 4.417 4.340 0.029 0.000 0.278 779 L C -2.046 174.857 176.870 0.056 0.000 1.175 779 L CA -1.231 53.622 54.840 0.022 0.000 0.973 779 L CB 0.702 42.785 42.059 0.041 0.000 1.286 779 L HN 0.245 nan 8.230 nan 0.000 0.481 780 P HA -0.004 nan 4.420 nan 0.000 0.269 780 P C 0.689 178.064 177.300 0.125 0.000 1.211 780 P CA 0.656 63.813 63.100 0.095 0.000 0.781 780 P CB 0.553 32.319 31.700 0.110 0.000 0.877 781 E N 0.142 120.406 120.200 0.108 0.000 2.160 781 E HA -0.095 4.272 4.350 0.029 0.000 0.195 781 E C 0.958 177.632 176.600 0.124 0.000 0.991 781 E CA 1.683 58.145 56.400 0.103 0.000 0.810 781 E CB -0.196 29.549 29.700 0.076 0.000 0.742 781 E HN 0.429 nan 8.360 nan 0.000 0.466 782 S N -1.425 114.354 115.700 0.131 0.000 2.562 782 S HA 0.559 5.047 4.470 0.029 0.000 0.274 782 S C -1.451 173.227 174.600 0.128 0.000 1.160 782 S CA -0.517 57.746 58.200 0.104 0.000 0.933 782 S CB 0.480 63.689 63.200 0.016 0.000 1.100 782 S HN 0.855 nan 8.310 nan 0.000 0.468 783 F N 2.583 122.482 119.950 -0.085 0.000 2.565 783 F HA 0.716 5.261 4.527 0.029 0.000 0.313 783 F C -0.506 175.193 175.800 -0.169 0.000 1.091 783 F CA -1.115 56.814 58.000 -0.119 0.000 0.915 783 F CB 1.163 40.108 39.000 -0.092 0.000 1.208 783 F HN 0.610 nan 8.300 nan 0.000 0.453 784 R N 2.535 122.884 120.500 -0.251 0.000 2.438 784 R HA 0.516 4.874 4.340 0.029 0.000 0.287 784 R C -1.100 174.958 176.300 -0.405 0.000 1.077 784 R CA -0.565 55.312 56.100 -0.370 0.000 1.034 784 R CB 1.102 31.258 30.300 -0.239 0.000 0.993 784 R HN 0.766 nan 8.270 nan 0.000 0.459 785 V N 8.058 127.626 119.914 -0.577 0.000 2.446 785 V HA 0.070 4.207 4.120 0.029 0.000 0.276 785 V C -1.226 174.568 176.094 -0.500 0.000 1.030 785 V CA -1.014 60.915 62.300 -0.617 0.000 1.033 785 V CB 1.278 32.629 31.823 -0.787 0.000 0.993 785 V HN 0.866 nan 8.190 nan 0.000 0.477 786 P HA -0.116 nan 4.420 nan 0.000 0.226 786 P C 0.751 177.843 177.300 -0.347 0.000 1.153 786 P CA 1.148 63.972 63.100 -0.460 0.000 0.777 786 P CB 0.068 31.148 31.700 -1.034 0.000 0.794 787 Y N -2.097 118.089 120.300 -0.191 0.000 2.458 787 Y HA 0.522 5.090 4.550 0.029 0.000 0.254 787 Y C 0.093 176.032 175.900 0.064 0.000 1.120 787 Y CA -0.999 57.093 58.100 -0.012 0.000 1.282 787 Y CB -0.421 38.036 38.460 -0.006 0.000 1.109 787 Y HN -0.240 nan 8.280 nan 0.000 0.526 788 D N 1.029 121.315 120.400 -0.190 0.000 2.330 788 D HA 0.290 4.947 4.640 0.029 0.000 0.249 788 D C -2.442 173.650 176.300 -0.347 0.000 1.306 788 D CA -2.240 51.698 54.000 -0.103 0.000 0.956 788 D CB 1.826 42.626 40.800 0.001 0.000 1.261 788 D HN -0.116 nan 8.370 nan 0.000 0.544 789 P HA -0.044 nan 4.420 nan 0.000 0.216 789 P C 1.403 178.464 177.300 -0.399 0.000 1.150 789 P CA 1.083 63.769 63.100 -0.690 0.000 0.843 789 P CB 0.328 31.486 31.700 -0.903 0.000 0.787 790 G N -1.064 107.579 108.800 -0.261 0.000 2.509 790 G HA2 -0.111 3.866 3.960 0.029 0.000 0.218 790 G HA3 -0.111 3.866 3.960 0.029 0.000 0.218 790 G C 0.459 175.217 174.900 -0.236 0.000 1.124 790 G CA 0.093 45.073 45.100 -0.200 0.000 0.776 790 G HN 0.242 nan 8.290 nan 0.000 0.547 791 L N 1.460 122.526 121.223 -0.261 0.000 2.262 791 L HA 0.311 4.668 4.340 0.029 0.000 0.288 791 L C -0.121 176.543 176.870 -0.344 0.000 1.035 791 L CA -0.523 54.158 54.840 -0.264 0.000 0.820 791 L CB 1.312 43.237 42.059 -0.223 0.000 1.204 791 L HN -0.023 nan 8.230 nan 0.000 0.424 792 K N 3.335 123.552 120.400 -0.305 0.000 2.205 792 K HA 0.639 4.976 4.320 0.029 0.000 0.279 792 K C -0.430 175.942 176.600 -0.380 0.000 1.027 792 K CA -0.394 55.676 56.287 -0.361 0.000 0.932 792 K CB 1.947 34.297 32.500 -0.250 0.000 1.032 792 K HN 0.563 nan 8.250 nan 0.000 0.466 793 A N 2.109 124.564 122.820 -0.610 0.000 2.355 793 A HA 0.677 5.014 4.320 0.029 0.000 0.317 793 A C 0.186 177.615 177.584 -0.259 0.000 1.094 793 A CA -0.439 51.310 52.037 -0.480 0.000 0.764 793 A CB 1.608 20.159 19.000 -0.749 0.000 1.230 793 A HN 0.813 nan 8.150 nan 0.000 0.448 794 G N 0.624 109.451 108.800 0.046 0.000 3.157 794 G HA2 0.567 4.545 3.960 0.029 0.000 0.206 794 G HA3 0.567 4.545 3.960 0.029 0.000 0.206 794 G C 0.738 175.837 174.900 0.332 0.000 1.903 794 G CA 0.307 45.509 45.100 0.171 0.000 0.771 794 G HN 1.508 nan 8.290 nan 0.000 0.750 795 A N -0.624 122.331 122.820 0.226 0.000 2.492 795 A HA 0.491 4.829 4.320 0.029 0.000 0.236 795 A C 0.220 177.932 177.584 0.214 0.000 1.078 795 A CA 0.018 52.172 52.037 0.196 0.000 0.773 795 A CB -0.081 18.984 19.000 0.110 0.000 1.023 795 A HN 0.439 nan 8.150 nan 0.000 0.504 796 L N 0.086 121.352 121.223 0.072 0.000 2.479 796 L HA 0.490 4.848 4.340 0.029 0.000 0.249 796 L C 0.898 177.702 176.870 -0.110 0.000 1.178 796 L CA 0.188 54.925 54.840 -0.170 0.000 0.811 796 L CB 1.116 43.057 42.059 -0.197 0.000 1.187 796 L HN 0.756 nan 8.230 nan 0.000 0.480 797 A N 1.367 124.085 122.820 -0.171 0.000 3.165 797 A HA 0.305 4.642 4.320 0.029 0.000 0.331 797 A C 1.089 178.645 177.584 -0.047 0.000 1.034 797 A CA -0.486 51.514 52.037 -0.061 0.000 0.906 797 A CB -0.310 18.679 19.000 -0.018 0.000 1.054 797 A HN 0.586 nan 8.150 nan 0.000 0.484 798 I N 0.318 120.861 120.570 -0.044 0.000 2.143 798 I HA -0.318 3.869 4.170 0.029 0.000 0.245 798 I C 1.998 178.115 176.117 0.000 0.000 1.068 798 I CA 1.976 63.260 61.300 -0.026 0.000 1.326 798 I CB -1.572 36.419 38.000 -0.016 0.000 1.028 798 I HN 0.542 nan 8.210 nan 0.000 0.412 799 E N 1.428 121.633 120.200 0.008 0.000 2.118 799 E HA -0.196 4.171 4.350 0.029 0.000 0.195 799 E C 1.758 178.376 176.600 0.030 0.000 0.992 799 E CA 1.287 57.697 56.400 0.017 0.000 0.804 799 E CB -0.298 29.413 29.700 0.018 0.000 0.741 799 E HN 0.591 nan 8.360 nan 0.000 0.458 800 K N -0.386 120.044 120.400 0.049 0.000 2.387 800 K HA 0.218 4.556 4.320 0.029 0.000 0.198 800 K C -0.491 176.205 176.600 0.161 0.000 1.022 800 K CA -0.137 56.206 56.287 0.093 0.000 1.128 800 K CB 0.478 33.052 32.500 0.124 0.000 0.853 800 K HN 0.034 nan 8.250 nan 0.000 0.523 801 C N 3.807 123.174 119.300 0.112 0.000 2.200 801 C HA 0.221 4.698 4.460 0.029 0.000 0.328 801 C C 0.680 175.744 174.990 0.123 0.000 1.148 801 C CA -1.105 58.005 59.018 0.153 0.000 1.624 801 C CB -1.008 26.769 27.740 0.062 0.000 2.167 801 C HN 0.467 nan 8.230 nan 0.000 0.484 802 K N 1.736 122.230 120.400 0.156 0.000 2.583 802 K HA 0.817 5.154 4.320 0.029 0.000 0.263 802 K C -1.121 175.557 176.600 0.131 0.000 1.038 802 K CA -0.611 55.720 56.287 0.074 0.000 1.031 802 K CB 0.643 33.111 32.500 -0.052 0.000 1.399 802 K HN 0.177 nan 8.250 nan 0.000 0.531 803 V N 1.563 121.529 119.914 0.086 0.000 2.380 803 V HA 0.185 4.322 4.120 0.029 0.000 0.272 803 V C -0.427 175.721 176.094 0.089 0.000 1.011 803 V CA -0.688 61.676 62.300 0.107 0.000 0.826 803 V CB 0.803 32.672 31.823 0.075 0.000 1.040 803 V HN 0.723 nan 8.190 nan 0.000 0.441 804 M N 3.405 123.085 119.600 0.134 0.000 2.273 804 M HA -0.084 4.413 4.480 0.029 0.000 0.424 804 M C 1.016 177.354 176.300 0.065 0.000 1.461 804 M CA 0.715 56.078 55.300 0.104 0.000 0.819 804 M CB 0.332 33.037 32.600 0.175 0.000 2.023 804 M HN 0.767 nan 8.290 nan 0.000 0.510 805 A N 4.597 127.434 122.820 0.029 0.000 3.026 805 A HA 0.371 4.708 4.320 0.029 0.000 0.272 805 A C 0.187 177.788 177.584 0.028 0.000 1.782 805 A CA -0.283 51.767 52.037 0.022 0.000 1.451 805 A CB -0.714 18.287 19.000 0.002 0.000 1.081 805 A HN 0.802 nan 8.150 nan 0.000 0.611 806 S N 0.671 116.397 115.700 0.044 0.000 2.766 806 S HA 0.480 4.967 4.470 0.029 0.000 0.307 806 S C 0.891 175.515 174.600 0.040 0.000 1.121 806 S CA -0.972 57.254 58.200 0.044 0.000 0.980 806 S CB 0.884 64.119 63.200 0.059 0.000 1.159 806 S HN 0.431 nan 8.310 nan 0.000 0.546 807 K N 0.858 121.279 120.400 0.036 0.000 2.281 807 K HA -0.081 4.257 4.320 0.029 0.000 0.203 807 K C 0.691 177.318 176.600 0.044 0.000 1.046 807 K CA 1.292 57.598 56.287 0.031 0.000 0.938 807 K CB -0.831 31.682 32.500 0.022 0.000 0.737 807 K HN 0.781 nan 8.250 nan 0.000 0.458 808 K N -0.036 120.399 120.400 0.057 0.000 2.197 808 K HA 0.420 4.757 4.320 0.029 0.000 0.247 808 K C -0.631 176.021 176.600 0.086 0.000 1.077 808 K CA -1.063 55.270 56.287 0.076 0.000 0.882 808 K CB 0.996 33.550 32.500 0.090 0.000 1.396 808 K HN -0.386 nan 8.250 nan 0.000 0.482 809 K N 1.680 122.143 120.400 0.106 0.000 2.478 809 K HA 0.406 4.743 4.320 0.029 0.000 0.236 809 K C -2.669 174.013 176.600 0.137 0.000 1.021 809 K CA -1.880 54.472 56.287 0.108 0.000 1.010 809 K CB 1.176 33.728 32.500 0.088 0.000 1.331 809 K HN 0.448 nan 8.250 nan 0.000 0.470 810 P HA 0.456 nan 4.420 nan 0.000 0.285 810 P C -0.313 177.112 177.300 0.209 0.000 1.280 810 P CA -0.769 62.442 63.100 0.186 0.000 0.862 810 P CB 1.314 33.118 31.700 0.173 0.000 1.153 811 L N 0.386 121.758 121.223 0.249 0.000 2.344 811 L HA 0.445 4.802 4.340 0.029 0.000 0.272 811 L C -0.001 177.065 176.870 0.327 0.000 1.035 811 L CA -0.531 54.468 54.840 0.265 0.000 0.807 811 L CB 1.513 43.716 42.059 0.240 0.000 1.237 811 L HN 0.446 nan 8.230 nan 0.000 0.442 812 W N 4.443 125.819 121.300 0.127 0.000 2.286 812 W HA 0.365 5.043 4.660 0.029 0.000 0.296 812 W C -1.769 174.818 176.519 0.113 0.000 0.911 812 W CA -0.739 56.679 57.345 0.120 0.000 1.761 812 W CB 0.935 30.444 29.460 0.082 0.000 1.820 812 W HN 0.247 nan 8.180 nan 0.000 0.403 813 L N 3.536 124.851 121.223 0.153 0.000 2.350 813 L HA 0.315 4.673 4.340 0.029 0.000 0.275 813 L C 0.431 177.329 176.870 0.046 0.000 1.099 813 L CA 0.203 55.106 54.840 0.105 0.000 0.808 813 L CB 1.150 43.339 42.059 0.217 0.000 1.149 813 L HN 0.205 nan 8.230 nan 0.000 0.442 814 E N 2.472 122.622 120.200 -0.083 0.000 2.293 814 E HA 0.554 4.921 4.350 0.029 0.000 0.270 814 E C -1.509 174.971 176.600 -0.199 0.000 0.879 814 E CA -0.532 55.878 56.400 0.018 0.000 0.756 814 E CB 2.322 32.090 29.700 0.113 0.000 1.208 814 E HN 0.181 nan 8.360 nan 0.000 0.428 815 F N 0.688 120.701 119.950 0.105 0.000 2.577 815 F HA 0.397 4.942 4.527 0.029 0.000 0.318 815 F C 0.336 176.174 175.800 0.063 0.000 1.065 815 F CA -0.985 57.076 58.000 0.101 0.000 0.929 815 F CB 1.603 40.676 39.000 0.123 0.000 1.237 815 F HN 0.037 nan 8.300 nan 0.000 0.468 816 K N 0.943 121.484 120.400 0.236 0.000 2.234 816 K HA 0.295 4.632 4.320 0.029 0.000 0.282 816 K C -0.692 175.973 176.600 0.109 0.000 1.039 816 K CA -0.559 55.811 56.287 0.138 0.000 0.928 816 K CB 1.245 33.804 32.500 0.098 0.000 1.039 816 K HN 0.712 nan 8.250 nan 0.000 0.470 817 C N 3.679 123.011 119.300 0.054 0.000 2.662 817 C HA 0.083 4.560 4.460 0.029 0.000 0.402 817 C C 1.562 176.545 174.990 -0.013 0.000 1.397 817 C CA -0.325 58.688 59.018 -0.007 0.000 1.575 817 C CB -1.542 26.186 27.740 -0.021 0.000 2.406 817 C HN 0.896 nan 8.230 nan 0.000 0.609 818 A N 4.218 127.016 122.820 -0.037 0.000 2.258 818 A HA 0.091 4.428 4.320 0.029 0.000 0.206 818 A C 0.594 178.157 177.584 -0.035 0.000 1.222 818 A CA 0.662 52.686 52.037 -0.021 0.000 0.822 818 A CB -0.421 18.562 19.000 -0.028 0.000 0.804 818 A HN 0.966 nan 8.150 nan 0.000 0.483 819 D N -1.145 119.226 120.400 -0.049 0.000 2.349 819 D HA 0.453 5.111 4.640 0.029 0.000 0.232 819 D C -1.672 174.605 176.300 -0.037 0.000 1.071 819 D CA -1.877 52.090 54.000 -0.054 0.000 0.832 819 D CB 1.489 42.237 40.800 -0.085 0.000 1.086 819 D HN -0.082 nan 8.370 nan 0.000 0.504 820 P HA -0.120 nan 4.420 nan 0.000 0.215 820 P C 0.978 178.267 177.300 -0.019 0.000 1.153 820 P CA 1.159 64.250 63.100 -0.014 0.000 0.853 820 P CB -0.034 31.661 31.700 -0.008 0.000 0.788 821 T N -3.218 111.315 114.554 -0.035 0.000 3.317 821 T HA 0.373 4.740 4.350 0.029 0.000 0.250 821 T C 0.711 175.376 174.700 -0.058 0.000 1.106 821 T CA -0.326 61.749 62.100 -0.042 0.000 0.986 821 T CB -1.142 67.690 68.868 -0.059 0.000 1.010 821 T HN 0.075 nan 8.240 nan 0.000 0.560 822 A N 0.477 123.269 122.820 -0.046 0.000 2.524 822 A HA 0.626 4.963 4.320 0.029 0.000 0.250 822 A C 2.048 179.607 177.584 -0.042 0.000 1.078 822 A CA 0.226 52.237 52.037 -0.043 0.000 0.761 822 A CB -0.337 18.648 19.000 -0.025 0.000 1.012 822 A HN 1.110 nan 8.150 nan 0.000 0.500 823 L N 2.716 123.905 121.223 -0.057 0.000 2.081 823 L HA 0.106 4.464 4.340 0.029 0.000 0.212 823 L C 1.654 178.489 176.870 -0.059 0.000 1.080 823 L CA 2.808 57.588 54.840 -0.099 0.000 0.754 823 L CB -2.047 39.930 42.059 -0.136 0.000 0.893 823 L HN 1.473 nan 8.230 nan 0.000 0.433 824 S N -2.875 112.814 115.700 -0.019 0.000 2.998 824 S HA 0.646 5.134 4.470 0.029 0.000 0.321 824 S C -0.852 173.758 174.600 0.016 0.000 1.171 824 S CA -0.286 57.914 58.200 0.001 0.000 0.882 824 S CB 1.117 64.326 63.200 0.014 0.000 1.301 824 S HN 0.422 nan 8.310 nan 0.000 0.629 825 N N 0.680 119.397 118.700 0.028 0.000 2.399 825 N HA 0.710 5.468 4.740 0.029 0.000 0.280 825 N C -1.832 173.709 175.510 0.052 0.000 1.008 825 N CA -0.207 52.866 53.050 0.038 0.000 0.894 825 N CB 1.653 40.162 38.487 0.037 0.000 1.273 825 N HN 0.721 nan 8.380 nan 0.000 0.486 826 E N 0.559 120.796 120.200 0.062 0.000 2.531 826 E HA 0.134 4.501 4.350 0.029 0.000 0.323 826 E C -1.069 175.584 176.600 0.089 0.000 0.908 826 E CA -0.542 55.905 56.400 0.078 0.000 0.792 826 E CB 0.528 30.276 29.700 0.080 0.000 1.360 826 E HN 0.574 nan 8.360 nan 0.000 0.394 827 T N 1.094 115.711 114.554 0.105 0.000 2.795 827 T HA 0.337 4.705 4.350 0.029 0.000 0.314 827 T C 0.788 175.571 174.700 0.138 0.000 1.069 827 T CA -0.350 61.827 62.100 0.128 0.000 1.071 827 T CB 0.328 69.279 68.868 0.140 0.000 0.988 827 T HN 0.370 nan 8.240 nan 0.000 0.543 828 I N 1.447 122.124 120.570 0.178 0.000 2.312 828 I HA 0.459 4.647 4.170 0.029 0.000 0.290 828 I C 0.925 177.197 176.117 0.258 0.000 1.008 828 I CA -0.848 60.554 61.300 0.171 0.000 1.226 828 I CB 0.898 38.948 38.000 0.084 0.000 1.371 828 I HN 0.862 nan 8.210 nan 0.000 0.468 829 G N 7.766 116.655 108.800 0.148 0.000 2.335 829 G HA2 0.610 4.587 3.960 0.029 0.000 0.314 829 G HA3 0.610 4.587 3.960 0.029 0.000 0.314 829 G C -0.343 174.576 174.900 0.032 0.000 1.129 829 G CA -0.386 44.736 45.100 0.036 0.000 0.912 829 G HN 0.397 nan 8.290 nan 0.000 0.443 830 I N 2.354 123.008 120.570 0.140 0.000 2.525 830 I HA 0.424 4.611 4.170 0.029 0.000 0.301 830 I C -0.064 176.050 176.117 -0.005 0.000 0.992 830 I CA -1.014 60.355 61.300 0.115 0.000 1.162 830 I CB 1.914 40.081 38.000 0.279 0.000 1.332 830 I HN 0.312 nan 8.210 nan 0.000 0.458 831 I N 5.105 125.623 120.570 -0.087 0.000 2.428 831 I HA 0.254 4.442 4.170 0.029 0.000 0.279 831 I C -0.734 175.379 176.117 -0.006 0.000 1.040 831 I CA -0.402 60.887 61.300 -0.019 0.000 1.171 831 I CB 0.637 38.601 38.000 -0.059 0.000 1.312 831 I HN 0.266 nan 8.210 nan 0.000 0.470 832 F N 5.792 125.800 119.950 0.096 0.000 2.472 832 F HA 0.301 4.845 4.527 0.029 0.000 0.364 832 F C 0.620 176.487 175.800 0.112 0.000 1.090 832 F CA 0.103 58.165 58.000 0.104 0.000 1.188 832 F CB 0.623 39.686 39.000 0.106 0.000 1.105 832 F HN 0.358 nan 8.300 nan 0.000 0.536 833 K N 3.659 124.197 120.400 0.230 0.000 2.427 833 K HA 0.313 4.650 4.320 0.029 0.000 0.252 833 K C -1.532 175.201 176.600 0.221 0.000 0.931 833 K CA -0.751 55.654 56.287 0.197 0.000 0.793 833 K CB 1.290 33.863 32.500 0.121 0.000 1.211 833 K HN 0.695 nan 8.250 nan 0.000 0.426 834 H N 1.884 121.025 119.070 0.119 0.000 2.572 834 H HA 0.445 5.018 4.556 0.029 0.000 0.359 834 H C 0.192 175.570 175.328 0.082 0.000 1.134 834 H CA 0.806 56.914 56.048 0.101 0.000 1.187 834 H CB 2.039 31.860 29.762 0.099 0.000 1.597 834 H HN 0.885 nan 8.280 nan 0.000 0.524 835 G N 4.535 113.016 108.800 -0.533 0.000 2.481 835 G HA2 -0.184 3.793 3.960 0.029 0.000 0.200 835 G HA3 -0.184 3.793 3.960 0.029 0.000 0.200 835 G C -0.449 174.365 174.900 -0.144 0.000 1.012 835 G CA 0.005 44.942 45.100 -0.272 0.000 0.676 835 G HN 0.605 nan 8.290 nan 0.000 0.488 836 D N 0.674 121.013 120.400 -0.102 0.000 2.272 836 D HA 0.550 5.207 4.640 0.029 0.000 0.247 836 D C -1.099 175.164 176.300 -0.061 0.000 0.990 836 D CA -0.295 53.663 54.000 -0.070 0.000 0.931 836 D CB 1.726 42.498 40.800 -0.047 0.000 1.195 836 D HN 0.080 nan 8.370 nan 0.000 0.477 837 D N 0.980 121.342 120.400 -0.064 0.000 2.396 837 D HA 0.130 4.787 4.640 0.029 0.000 0.225 837 D C 0.390 176.680 176.300 -0.015 0.000 1.121 837 D CA -0.384 53.601 54.000 -0.025 0.000 0.853 837 D CB 0.611 41.411 40.800 0.001 0.000 1.043 837 D HN -0.038 nan 8.370 nan 0.000 0.500 838 L N 3.604 124.835 121.223 0.013 0.000 2.599 838 L HA 0.202 4.559 4.340 0.029 0.000 0.230 838 L C 2.060 178.945 176.870 0.026 0.000 1.141 838 L CA 0.582 55.440 54.840 0.030 0.000 0.877 838 L CB -0.630 41.454 42.059 0.041 0.000 1.009 838 L HN 0.435 nan 8.230 nan 0.000 0.447 839 R N -1.129 119.380 120.500 0.015 0.000 2.236 839 R HA -0.041 4.316 4.340 0.029 0.000 0.208 839 R C 1.812 178.095 176.300 -0.029 0.000 1.036 839 R CA 0.566 56.663 56.100 -0.005 0.000 1.001 839 R CB 0.175 30.475 30.300 -0.001 0.000 0.896 839 R HN 0.479 nan 8.270 nan 0.000 0.464 840 Q N -0.235 119.556 119.800 -0.015 0.000 2.212 840 Q HA -0.079 4.278 4.340 0.029 0.000 0.199 840 Q C 0.989 176.985 176.000 -0.007 0.000 0.950 840 Q CA 0.972 56.764 55.803 -0.020 0.000 0.863 840 Q CB 0.309 29.043 28.738 -0.008 0.000 0.944 840 Q HN 0.222 nan 8.270 nan 0.000 0.465 841 D N 0.678 121.104 120.400 0.043 0.000 2.077 841 D HA -0.147 4.511 4.640 0.029 0.000 0.196 841 D C 1.798 178.081 176.300 -0.028 0.000 0.986 841 D CA 1.199 55.263 54.000 0.106 0.000 0.829 841 D CB -0.144 40.757 40.800 0.169 0.000 0.983 841 D HN 0.141 nan 8.370 nan 0.000 0.453 842 M N -0.097 119.483 119.600 -0.035 0.000 2.147 842 M HA -0.228 4.270 4.480 0.029 0.000 0.253 842 M C 1.952 178.160 176.300 -0.153 0.000 1.075 842 M CA 1.154 56.408 55.300 -0.078 0.000 1.085 842 M CB -0.378 32.187 32.600 -0.057 0.000 1.305 842 M HN 0.091 nan 8.290 nan 0.000 0.409 843 L N 0.256 121.385 121.223 -0.156 0.000 2.012 843 L HA -0.199 4.159 4.340 0.029 0.000 0.210 843 L C 2.342 179.086 176.870 -0.210 0.000 1.073 843 L CA 1.752 56.484 54.840 -0.180 0.000 0.748 843 L CB -1.067 40.903 42.059 -0.148 0.000 0.891 843 L HN 0.287 nan 8.230 nan 0.000 0.431 844 I N -1.164 119.250 120.570 -0.261 0.000 2.252 844 I HA -0.231 3.957 4.170 0.029 0.000 0.245 844 I C 2.415 178.283 176.117 -0.415 0.000 1.102 844 I CA 0.803 61.862 61.300 -0.401 0.000 1.385 844 I CB -1.148 36.411 38.000 -0.734 0.000 1.064 844 I HN 0.172 nan 8.210 nan 0.000 0.414 845 L N 0.323 121.323 121.223 -0.371 0.000 2.079 845 L HA -0.214 4.143 4.340 0.029 0.000 0.210 845 L C 2.552 179.277 176.870 -0.242 0.000 1.081 845 L CA 1.662 56.330 54.840 -0.287 0.000 0.752 845 L CB -1.455 40.447 42.059 -0.261 0.000 0.896 845 L HN 0.322 nan 8.230 nan 0.000 0.433 846 Q N -0.015 119.645 119.800 -0.235 0.000 2.123 846 Q HA -0.083 4.275 4.340 0.029 0.000 0.199 846 Q C 2.220 178.069 176.000 -0.252 0.000 0.966 846 Q CA 1.319 56.978 55.803 -0.240 0.000 0.845 846 Q CB -0.063 28.532 28.738 -0.239 0.000 0.907 846 Q HN 0.465 nan 8.270 nan 0.000 0.439 847 I N -0.347 120.087 120.570 -0.226 0.000 2.394 847 I HA -0.230 3.958 4.170 0.029 0.000 0.251 847 I C 1.518 177.490 176.117 -0.243 0.000 1.136 847 I CA 0.345 61.521 61.300 -0.206 0.000 1.425 847 I CB -0.181 37.728 38.000 -0.152 0.000 1.079 847 I HN 0.234 nan 8.210 nan 0.000 0.425 848 L N 0.725 121.799 121.223 -0.248 0.000 2.012 848 L HA -0.206 4.151 4.340 0.029 0.000 0.210 848 L C 2.603 179.325 176.870 -0.248 0.000 1.073 848 L CA 1.845 56.539 54.840 -0.243 0.000 0.748 848 L CB -0.813 41.130 42.059 -0.193 0.000 0.891 848 L HN 0.132 nan 8.230 nan 0.000 0.431 849 R N -0.905 119.445 120.500 -0.249 0.000 2.096 849 R HA -0.131 4.227 4.340 0.029 0.000 0.235 849 R C 2.287 178.394 176.300 -0.322 0.000 1.127 849 R CA 1.366 57.299 56.100 -0.278 0.000 0.968 849 R CB -0.446 29.645 30.300 -0.349 0.000 0.861 849 R HN 0.331 nan 8.270 nan 0.000 0.440 850 I N 0.399 120.770 120.570 -0.331 0.000 2.315 850 I HA -0.256 3.931 4.170 0.029 0.000 0.248 850 I C 2.282 178.235 176.117 -0.273 0.000 1.117 850 I CA 1.275 62.411 61.300 -0.274 0.000 1.404 850 I CB -0.053 37.795 38.000 -0.253 0.000 1.071 850 I HN 0.167 nan 8.210 nan 0.000 0.419 851 M N -0.268 119.091 119.600 -0.402 0.000 2.296 851 M HA -0.166 4.331 4.480 0.029 0.000 0.265 851 M C 2.059 177.886 176.300 -0.789 0.000 1.064 851 M CA 1.459 56.318 55.300 -0.736 0.000 1.109 851 M CB -0.313 31.724 32.600 -0.938 0.000 1.396 851 M HN 0.197 nan 8.290 nan 0.000 0.430 852 E N 0.354 120.348 120.200 -0.342 0.000 2.017 852 E HA -0.185 4.182 4.350 0.029 0.000 0.193 852 E C 2.103 178.723 176.600 0.032 0.000 0.997 852 E CA 1.910 58.297 56.400 -0.022 0.000 0.804 852 E CB -0.378 29.328 29.700 0.011 0.000 0.757 852 E HN 0.559 nan 8.360 nan 0.000 0.448 853 S N 1.430 117.144 115.700 0.024 0.000 2.380 853 S HA -0.212 4.275 4.470 0.029 0.000 0.229 853 S C 2.151 176.791 174.600 0.067 0.000 1.043 853 S CA 1.162 59.423 58.200 0.101 0.000 1.038 853 S CB -0.752 62.563 63.200 0.190 0.000 0.872 853 S HN 0.197 nan 8.310 nan 0.000 0.456 854 I N -0.245 120.316 120.570 -0.015 0.000 2.099 854 I HA -0.165 4.023 4.170 0.029 0.000 0.239 854 I C 2.563 178.748 176.117 0.113 0.000 1.066 854 I CA 1.565 62.889 61.300 0.041 0.000 1.324 854 I CB -0.620 37.334 38.000 -0.077 0.000 1.037 854 I HN 0.376 nan 8.210 nan 0.000 0.401 855 W N 1.363 122.687 121.300 0.039 0.000 2.364 855 W HA -0.180 4.498 4.660 0.029 0.000 0.281 855 W C 2.479 179.044 176.519 0.077 0.000 1.219 855 W CA 1.064 58.420 57.345 0.018 0.000 1.220 855 W CB -0.914 28.524 29.460 -0.036 0.000 1.127 855 W HN 0.349 nan 8.180 nan 0.000 0.556 856 E N -0.034 120.345 120.200 0.299 0.000 2.107 856 E HA -0.171 4.197 4.350 0.029 0.000 0.191 856 E C 2.219 178.922 176.600 0.172 0.000 0.982 856 E CA 2.065 58.620 56.400 0.259 0.000 0.809 856 E CB -0.019 29.791 29.700 0.183 0.000 0.756 856 E HN 0.186 nan 8.360 nan 0.000 0.459 857 T N -1.331 113.311 114.554 0.146 0.000 2.881 857 T HA -0.113 4.255 4.350 0.029 0.000 0.270 857 T C 1.172 175.937 174.700 0.109 0.000 1.068 857 T CA 1.121 63.286 62.100 0.109 0.000 1.131 857 T CB -0.131 68.812 68.868 0.126 0.000 0.871 857 T HN 0.151 nan 8.240 nan 0.000 0.479 858 E N 1.774 122.063 120.200 0.149 0.000 2.496 858 E HA 0.242 4.610 4.350 0.029 0.000 0.200 858 E C 0.091 176.787 176.600 0.160 0.000 1.016 858 E CA 0.145 56.626 56.400 0.134 0.000 0.962 858 E CB 0.197 29.980 29.700 0.140 0.000 1.071 858 E HN 0.712 nan 8.360 nan 0.000 0.457 859 S N -0.069 115.748 115.700 0.195 0.000 3.484 859 S HA -0.216 4.271 4.470 0.029 0.000 0.384 859 S C -0.191 174.691 174.600 0.469 0.000 0.932 859 S CA 0.404 58.796 58.200 0.320 0.000 1.293 859 S CB -1.838 61.438 63.200 0.125 0.000 0.919 859 S HN 0.203 nan 8.310 nan 0.000 0.540 860 L N 0.823 122.272 121.223 0.376 0.000 2.333 860 L HA 0.829 5.186 4.340 0.029 0.000 0.263 860 L C -0.223 176.439 176.870 -0.346 0.000 1.014 860 L CA -0.310 54.516 54.840 -0.024 0.000 0.820 860 L CB 1.900 43.883 42.059 -0.128 0.000 1.352 860 L HN 0.458 nan 8.230 nan 0.000 0.421 861 D N 1.815 121.817 120.400 -0.663 0.000 2.330 861 D HA 0.202 4.859 4.640 0.029 0.000 0.249 861 D C -0.273 175.681 176.300 -0.578 0.000 1.306 861 D CA -0.254 53.319 54.000 -0.711 0.000 0.956 861 D CB 1.167 41.274 40.800 -1.156 0.000 1.261 861 D HN 0.262 nan 8.370 nan 0.000 0.544 862 L N 2.695 123.680 121.223 -0.397 0.000 2.612 862 L HA 0.069 4.427 4.340 0.029 0.000 0.230 862 L C 1.086 177.860 176.870 -0.160 0.000 1.140 862 L CA 0.278 54.916 54.840 -0.337 0.000 0.896 862 L CB -1.777 39.892 42.059 -0.651 0.000 1.065 862 L HN 0.713 nan 8.230 nan 0.000 0.447 863 C N -0.927 118.273 119.300 -0.166 0.000 3.267 863 C HA -0.216 4.261 4.460 0.029 0.000 0.260 863 C C 1.113 176.125 174.990 0.037 0.000 1.396 863 C CA -0.888 58.090 59.018 -0.067 0.000 2.176 863 C CB -3.255 24.441 27.740 -0.073 0.000 1.417 863 C HN 0.264 nan 8.230 nan 0.000 0.517 864 L N -0.082 121.153 121.223 0.019 0.000 2.468 864 L HA 0.334 4.691 4.340 0.029 0.000 0.253 864 L C 0.832 177.806 176.870 0.172 0.000 1.237 864 L CA -0.024 54.817 54.840 0.003 0.000 0.823 864 L CB 0.318 42.294 42.059 -0.139 0.000 1.124 864 L HN 0.529 nan 8.230 nan 0.000 0.504 865 L N 3.399 124.844 121.223 0.371 0.000 2.529 865 L HA 0.333 4.690 4.340 0.029 0.000 0.246 865 L C -2.206 174.890 176.870 0.376 0.000 1.394 865 L CA -1.752 53.267 54.840 0.297 0.000 0.906 865 L CB 0.545 42.692 42.059 0.147 0.000 1.170 865 L HN 0.240 nan 8.230 nan 0.000 0.501 866 P HA 0.154 nan 4.420 nan 0.000 0.252 866 P C -0.405 176.897 177.300 0.003 0.000 1.727 866 P CA -0.139 62.997 63.100 0.060 0.000 1.134 866 P CB -0.715 30.961 31.700 -0.040 0.000 1.876 867 Y N 0.475 120.818 120.300 0.072 0.000 2.511 867 Y HA 0.436 5.004 4.550 0.029 0.000 0.347 867 Y C 1.173 177.033 175.900 -0.067 0.000 1.257 867 Y CA -0.920 57.161 58.100 -0.031 0.000 1.469 867 Y CB -0.336 38.091 38.460 -0.054 0.000 1.353 867 Y HN 0.299 nan 8.280 nan 0.000 0.617 868 G N -0.400 108.342 108.800 -0.097 0.000 2.554 868 G HA2 0.306 4.283 3.960 0.029 0.000 0.238 868 G HA3 0.306 4.283 3.960 0.029 0.000 0.238 868 G C -1.249 173.543 174.900 -0.181 0.000 1.259 868 G CA -0.059 44.927 45.100 -0.191 0.000 0.843 868 G HN 1.162 nan 8.290 nan 0.000 0.582 869 C N 3.536 122.804 119.300 -0.053 0.000 3.072 869 C HA 0.422 4.899 4.460 0.029 0.000 0.400 869 C C -1.245 173.778 174.990 0.055 0.000 1.075 869 C CA -1.062 57.952 59.018 -0.007 0.000 1.272 869 C CB -0.689 27.044 27.740 -0.011 0.000 1.670 869 C HN 0.581 nan 8.230 nan 0.000 0.516 870 I N 4.194 124.788 120.570 0.041 0.000 2.474 870 I HA 0.456 4.644 4.170 0.029 0.000 0.294 870 I C 0.578 176.718 176.117 0.039 0.000 1.005 870 I CA 0.016 61.349 61.300 0.055 0.000 1.113 870 I CB 1.792 39.753 38.000 -0.064 0.000 1.289 870 I HN 0.680 nan 8.210 nan 0.000 0.436 871 S N 2.897 118.654 115.700 0.095 0.000 2.452 871 S HA 0.332 4.820 4.470 0.029 0.000 0.284 871 S C 1.146 175.830 174.600 0.140 0.000 1.171 871 S CA -0.317 57.940 58.200 0.095 0.000 1.064 871 S CB 0.377 63.629 63.200 0.087 0.000 0.967 871 S HN 0.790 nan 8.310 nan 0.000 0.484 872 T N 2.543 117.183 114.554 0.143 0.000 2.983 872 T HA 0.413 4.780 4.350 0.029 0.000 0.250 872 T C 0.970 175.785 174.700 0.192 0.000 1.037 872 T CA 0.389 62.617 62.100 0.213 0.000 1.142 872 T CB -0.199 68.806 68.868 0.228 0.000 0.876 872 T HN 0.674 nan 8.240 nan 0.000 0.455 873 G N 0.441 109.339 108.800 0.162 0.000 2.870 873 G HA2 0.445 4.422 3.960 0.029 0.000 0.299 873 G HA3 0.445 4.422 3.960 0.029 0.000 0.299 873 G C -1.847 173.129 174.900 0.127 0.000 1.324 873 G CA -0.593 44.593 45.100 0.144 0.000 0.808 873 G HN 0.184 nan 8.290 nan 0.000 0.535 874 D N 0.690 121.165 120.400 0.124 0.000 2.401 874 D HA 0.081 4.738 4.640 0.029 0.000 0.254 874 D C 0.397 176.755 176.300 0.096 0.000 1.192 874 D CA 0.375 54.439 54.000 0.107 0.000 0.885 874 D CB 0.358 41.225 40.800 0.112 0.000 1.147 874 D HN 0.442 nan 8.370 nan 0.000 0.478 875 K N 1.741 122.163 120.400 0.037 0.000 3.130 875 K HA -0.237 4.100 4.320 0.029 0.000 0.282 875 K C -0.101 176.464 176.600 -0.057 0.000 1.145 875 K CA 0.548 56.796 56.287 -0.065 0.000 0.831 875 K CB -1.457 30.924 32.500 -0.198 0.000 1.226 875 K HN 0.660 nan 8.250 nan 0.000 0.478 876 I N -1.563 119.054 120.570 0.079 0.000 2.752 876 I HA 0.615 4.802 4.170 0.029 0.000 0.295 876 I C -0.331 175.867 176.117 0.135 0.000 1.219 876 I CA -0.051 61.342 61.300 0.155 0.000 1.030 876 I CB 2.177 40.342 38.000 0.276 0.000 1.259 876 I HN 0.121 nan 8.210 nan 0.000 0.423 877 G N 7.002 115.872 108.800 0.117 0.000 2.451 877 G HA2 0.427 4.405 3.960 0.029 0.000 0.292 877 G HA3 0.427 4.405 3.960 0.029 0.000 0.292 877 G C -1.593 173.256 174.900 -0.085 0.000 1.427 877 G CA -0.799 44.326 45.100 0.042 0.000 0.792 877 G HN 0.709 nan 8.290 nan 0.000 0.498 878 M N -0.346 119.114 119.600 -0.233 0.000 2.537 878 M HA 0.877 5.374 4.480 0.029 0.000 0.324 878 M C -1.445 174.753 176.300 -0.170 0.000 1.187 878 M CA -0.621 54.429 55.300 -0.415 0.000 0.993 878 M CB 1.703 33.861 32.600 -0.736 0.000 1.666 878 M HN 0.332 nan 8.290 nan 0.000 0.461 879 I N 0.907 121.388 120.570 -0.149 0.000 2.740 879 I HA 0.346 4.534 4.170 0.029 0.000 0.303 879 I C -0.169 175.829 176.117 -0.199 0.000 1.044 879 I CA -0.455 60.793 61.300 -0.087 0.000 1.064 879 I CB 2.155 40.163 38.000 0.012 0.000 1.249 879 I HN 0.775 nan 8.210 nan 0.000 0.433 880 E N 5.271 125.259 120.200 -0.353 0.000 2.194 880 E HA 0.328 4.695 4.350 0.029 0.000 0.284 880 E C -0.871 175.572 176.600 -0.262 0.000 1.035 880 E CA -0.488 55.604 56.400 -0.515 0.000 0.836 880 E CB 0.763 29.915 29.700 -0.914 0.000 1.070 880 E HN 0.450 nan 8.360 nan 0.000 0.401 881 I N 5.310 125.746 120.570 -0.223 0.000 2.406 881 I HA 0.012 4.200 4.170 0.029 0.000 0.293 881 I C 0.121 176.157 176.117 -0.134 0.000 1.101 881 I CA -0.419 60.727 61.300 -0.256 0.000 1.334 881 I CB 0.786 38.526 38.000 -0.433 0.000 1.421 881 I HN 0.315 nan 8.210 nan 0.000 0.513 882 V N 7.511 127.347 119.914 -0.130 0.000 2.540 882 V HA -0.052 4.085 4.120 0.029 0.000 0.297 882 V C 0.644 176.756 176.094 0.031 0.000 1.024 882 V CA 0.117 62.356 62.300 -0.103 0.000 1.105 882 V CB 0.599 32.244 31.823 -0.296 0.000 0.938 882 V HN 0.568 nan 8.190 nan 0.000 0.482 883 K N 3.539 123.967 120.400 0.046 0.000 2.270 883 K HA 0.262 4.599 4.320 0.029 0.000 0.276 883 K C 0.283 176.973 176.600 0.150 0.000 1.023 883 K CA 0.121 56.477 56.287 0.114 0.000 0.955 883 K CB 0.124 32.684 32.500 0.100 0.000 0.975 883 K HN 0.726 nan 8.250 nan 0.000 0.471 884 D N -0.147 120.370 120.400 0.195 0.000 2.870 884 D HA -0.212 4.445 4.640 0.029 0.000 0.228 884 D C -0.951 175.519 176.300 0.283 0.000 1.147 884 D CA 1.350 55.476 54.000 0.210 0.000 0.757 884 D CB -1.343 39.550 40.800 0.155 0.000 1.091 884 D HN 0.513 nan 8.370 nan 0.000 0.429 885 A N -0.479 122.530 122.820 0.314 0.000 2.320 885 A HA 0.835 5.172 4.320 0.029 0.000 0.334 885 A C 0.480 178.251 177.584 0.311 0.000 1.147 885 A CA -0.115 52.151 52.037 0.380 0.000 0.820 885 A CB 1.562 20.856 19.000 0.491 0.000 1.218 885 A HN 0.040 nan 8.150 nan 0.000 0.482 886 T N 0.490 115.175 114.554 0.217 0.000 2.883 886 T HA 0.554 4.921 4.350 0.029 0.000 0.301 886 T C -0.333 174.289 174.700 -0.130 0.000 1.158 886 T CA -0.460 61.662 62.100 0.036 0.000 1.007 886 T CB 1.592 70.446 68.868 -0.022 0.000 1.186 886 T HN 0.605 nan 8.240 nan 0.000 0.499 887 T N 1.722 116.178 114.554 -0.164 0.000 2.909 887 T HA 0.346 4.713 4.350 0.029 0.000 0.289 887 T C 1.901 176.444 174.700 -0.260 0.000 1.005 887 T CA -0.641 61.334 62.100 -0.208 0.000 1.084 887 T CB 0.441 69.214 68.868 -0.158 0.000 0.975 887 T HN 0.497 nan 8.240 nan 0.000 0.509 888 I N 1.242 121.672 120.570 -0.233 0.000 2.361 888 I HA -0.151 4.037 4.170 0.029 0.000 0.251 888 I C 2.726 178.708 176.117 -0.226 0.000 1.133 888 I CA 1.089 62.257 61.300 -0.220 0.000 1.413 888 I CB -0.754 37.165 38.000 -0.134 0.000 1.073 888 I HN 0.707 nan 8.210 nan 0.000 0.424 889 A N 1.421 124.112 122.820 -0.215 0.000 1.858 889 A HA -0.221 4.116 4.320 0.029 0.000 0.216 889 A C 2.283 179.762 177.584 -0.175 0.000 1.190 889 A CA 1.775 53.694 52.037 -0.197 0.000 0.617 889 A CB -0.504 18.397 19.000 -0.165 0.000 0.827 889 A HN 0.224 nan 8.150 nan 0.000 0.443 890 K N -0.425 119.879 120.400 -0.161 0.000 2.442 890 K HA 0.134 4.471 4.320 0.029 0.000 0.198 890 K C 1.404 177.898 176.600 -0.178 0.000 1.042 890 K CA 0.545 56.749 56.287 -0.139 0.000 0.958 890 K CB -0.299 32.135 32.500 -0.111 0.000 0.766 890 K HN 0.601 nan 8.250 nan 0.000 0.474 891 I N 0.314 120.729 120.570 -0.258 0.000 2.584 891 I HA -0.199 3.989 4.170 0.029 0.000 0.255 891 I C 1.513 177.504 176.117 -0.209 0.000 1.145 891 I CA 0.949 62.051 61.300 -0.331 0.000 1.462 891 I CB 0.111 37.813 38.000 -0.496 0.000 1.102 891 I HN 0.215 nan 8.210 nan 0.000 0.433 892 Q N 0.361 120.039 119.800 -0.204 0.000 2.360 892 Q HA 0.091 4.448 4.340 0.029 0.000 0.202 892 Q C 0.893 176.782 176.000 -0.185 0.000 0.915 892 Q CA 0.100 55.780 55.803 -0.205 0.000 0.943 892 Q CB 0.280 28.849 28.738 -0.282 0.000 1.064 892 Q HN 0.580 nan 8.270 nan 0.000 0.511 903 K N -0.468 119.625 120.400 -0.512 0.000 2.281 903 K HA 0.811 5.149 4.320 0.029 0.000 0.242 903 K C -0.053 176.415 176.600 -0.221 0.000 0.971 903 K CA -0.334 55.764 56.287 -0.315 0.000 0.834 903 K CB 1.181 33.559 32.500 -0.203 0.000 1.181 903 K HN -0.045 nan 8.250 nan 0.000 0.435 904 D N 0.101 120.388 120.400 -0.188 0.000 2.431 904 D HA 0.084 4.742 4.640 0.029 0.000 0.235 904 D C 2.111 178.150 176.300 -0.434 0.000 0.980 904 D CA 1.447 55.360 54.000 -0.145 0.000 0.912 904 D CB 0.118 40.829 40.800 -0.149 0.000 1.056 904 D HN 0.782 nan 8.370 nan 0.000 0.494 905 E N 1.345 121.093 120.200 -0.753 0.000 2.338 905 E HA -0.064 4.304 4.350 0.029 0.000 0.197 905 E C 2.213 178.371 176.600 -0.737 0.000 1.007 905 E CA 1.111 56.885 56.400 -1.044 0.000 0.849 905 E CB -1.177 27.988 29.700 -0.892 0.000 0.774 905 E HN 0.258 nan 8.360 nan 0.000 0.506 906 V N -0.866 118.812 119.914 -0.393 0.000 2.324 906 V HA -0.299 3.838 4.120 0.029 0.000 0.250 906 V C 2.597 178.681 176.094 -0.017 0.000 1.060 906 V CA 2.007 64.203 62.300 -0.172 0.000 1.042 906 V CB -0.784 30.984 31.823 -0.093 0.000 0.650 906 V HN 0.496 nan 8.190 nan 0.000 0.450 907 L N 0.416 121.645 121.223 0.011 0.000 2.017 907 L HA -0.196 4.161 4.340 0.029 0.000 0.208 907 L C 2.666 179.675 176.870 0.233 0.000 1.073 907 L CA 2.529 57.449 54.840 0.134 0.000 0.745 907 L CB -0.663 41.460 42.059 0.108 0.000 0.894 907 L HN 0.431 nan 8.230 nan 0.000 0.432 908 N N -1.769 117.059 118.700 0.214 0.000 2.120 908 N HA -0.200 4.557 4.740 0.029 0.000 0.188 908 N C 1.839 177.597 175.510 0.413 0.000 1.024 908 N CA 0.914 54.160 53.050 0.327 0.000 0.852 908 N CB 0.068 38.806 38.487 0.419 0.000 1.003 908 N HN 0.300 nan 8.380 nan 0.000 0.424 909 H N -1.213 118.026 119.070 0.282 0.000 2.352 909 H HA -0.149 4.424 4.556 0.029 0.000 0.299 909 H C 1.564 177.032 175.328 0.234 0.000 1.097 909 H CA 1.104 57.276 56.048 0.206 0.000 1.311 909 H CB -0.843 29.014 29.762 0.158 0.000 1.377 909 H HN 0.465 nan 8.280 nan 0.000 0.504 910 W N 1.213 122.647 121.300 0.223 0.000 2.381 910 W HA -0.088 4.589 4.660 0.029 0.000 0.301 910 W C 2.193 178.815 176.519 0.173 0.000 1.205 910 W CA 0.988 58.429 57.345 0.160 0.000 1.285 910 W CB -0.489 29.040 29.460 0.116 0.000 1.133 910 W HN 0.060 nan 8.180 nan 0.000 0.521 911 L N 0.563 122.017 121.223 0.385 0.000 1.994 911 L HA -0.250 4.108 4.340 0.029 0.000 0.208 911 L C 2.773 179.807 176.870 0.273 0.000 1.071 911 L CA 1.392 56.382 54.840 0.248 0.000 0.745 911 L CB -0.964 41.254 42.059 0.265 0.000 0.892 911 L HN -0.196 nan 8.230 nan 0.000 0.431 912 K N 0.427 121.085 120.400 0.430 0.000 2.063 912 K HA -0.257 4.080 4.320 0.029 0.000 0.208 912 K C 1.921 178.553 176.600 0.053 0.000 1.048 912 K CA 1.629 58.041 56.287 0.208 0.000 0.928 912 K CB -0.226 32.249 32.500 -0.042 0.000 0.713 912 K HN 0.377 nan 8.250 nan 0.000 0.442 913 E N 0.175 120.381 120.200 0.010 0.000 2.110 913 E HA -0.171 4.196 4.350 0.029 0.000 0.193 913 E C 1.012 177.528 176.600 -0.140 0.000 0.988 913 E CA 1.119 57.474 56.400 -0.075 0.000 0.804 913 E CB 0.214 29.857 29.700 -0.096 0.000 0.745 913 E HN 0.024 nan 8.360 nan 0.000 0.458 914 K N 0.175 120.438 120.400 -0.228 0.000 2.404 914 K HA 0.157 4.494 4.320 0.029 0.000 0.194 914 K C -0.049 176.499 176.600 -0.088 0.000 1.023 914 K CA 0.107 56.245 56.287 -0.250 0.000 1.094 914 K CB 1.073 33.266 32.500 -0.512 0.000 0.841 914 K HN -0.106 nan 8.250 nan 0.000 0.523 915 S N 2.646 118.353 115.700 0.011 0.000 2.566 915 S HA 0.222 4.709 4.470 0.029 0.000 0.324 915 S C -1.763 172.877 174.600 0.068 0.000 1.081 915 S CA -1.205 57.050 58.200 0.093 0.000 1.105 915 S CB 2.025 65.384 63.200 0.264 0.000 0.981 915 S HN -0.023 nan 8.310 nan 0.000 0.464 916 P HA -0.079 nan 4.420 nan 0.000 0.212 916 P C 0.782 178.095 177.300 0.021 0.000 1.180 916 P CA 1.282 64.393 63.100 0.017 0.000 0.906 916 P CB -0.196 31.514 31.700 0.017 0.000 0.782 917 T N -1.163 113.418 114.554 0.046 0.000 2.929 917 T HA 0.168 4.536 4.350 0.029 0.000 0.284 917 T C 1.185 175.939 174.700 0.089 0.000 1.014 917 T CA -0.608 61.518 62.100 0.044 0.000 1.051 917 T CB 0.960 69.853 68.868 0.041 0.000 1.028 917 T HN -0.122 nan 8.240 nan 0.000 0.485 918 E N 1.990 122.225 120.200 0.058 0.000 2.273 918 E HA -0.143 4.224 4.350 0.029 0.000 0.198 918 E C 2.206 178.916 176.600 0.184 0.000 1.002 918 E CA 1.816 58.282 56.400 0.109 0.000 0.828 918 E CB -0.313 29.415 29.700 0.046 0.000 0.747 918 E HN 0.941 nan 8.360 nan 0.000 0.491 919 E N 1.240 121.513 120.200 0.122 0.000 2.028 919 E HA -0.104 4.264 4.350 0.029 0.000 0.190 919 E C 2.079 178.749 176.600 0.116 0.000 0.984 919 E CA 1.760 58.224 56.400 0.107 0.000 0.800 919 E CB -0.942 28.800 29.700 0.071 0.000 0.758 919 E HN 0.352 nan 8.360 nan 0.000 0.448 920 K N -0.351 120.116 120.400 0.113 0.000 2.589 920 K HA 0.320 4.657 4.320 0.029 0.000 0.192 920 K C 1.551 178.238 176.600 0.145 0.000 1.029 920 K CA 0.995 57.343 56.287 0.101 0.000 1.031 920 K CB -0.905 31.642 32.500 0.078 0.000 0.821 920 K HN 0.566 nan 8.250 nan 0.000 0.502 921 F N -0.300 119.667 119.950 0.028 0.000 2.553 921 F HA 0.108 4.652 4.527 0.029 0.000 0.282 921 F C 2.057 177.881 175.800 0.039 0.000 1.089 921 F CA 0.225 58.243 58.000 0.030 0.000 1.411 921 F CB 0.791 39.805 39.000 0.023 0.000 1.125 921 F HN 0.066 nan 8.300 nan 0.000 0.610 922 Q N 0.815 120.699 119.800 0.141 0.000 2.291 922 Q HA -0.012 4.346 4.340 0.029 0.000 0.205 922 Q C 2.264 178.242 176.000 -0.036 0.000 0.970 922 Q CA 1.176 57.008 55.803 0.048 0.000 0.876 922 Q CB -0.506 28.321 28.738 0.149 0.000 0.935 922 Q HN 0.547 nan 8.270 nan 0.000 0.455 923 A N 0.453 123.268 122.820 -0.008 0.000 1.970 923 A HA 0.088 4.426 4.320 0.029 0.000 0.216 923 A C 2.178 179.746 177.584 -0.027 0.000 1.170 923 A CA 1.248 53.288 52.037 0.006 0.000 0.645 923 A CB -0.300 18.721 19.000 0.034 0.000 0.816 923 A HN 0.303 nan 8.150 nan 0.000 0.447 924 A N -0.584 122.173 122.820 -0.106 0.000 2.119 924 A HA 0.179 4.517 4.320 0.029 0.000 0.217 924 A C 1.815 179.298 177.584 -0.168 0.000 1.153 924 A CA 1.504 53.472 52.037 -0.115 0.000 0.692 924 A CB -0.345 18.554 19.000 -0.168 0.000 0.799 924 A HN 0.383 nan 8.150 nan 0.000 0.458 925 V N -0.901 118.837 119.914 -0.293 0.000 3.307 925 V HA -0.034 4.104 4.120 0.029 0.000 0.253 925 V C 2.111 178.112 176.094 -0.156 0.000 1.149 925 V CA 0.914 63.046 62.300 -0.280 0.000 1.112 925 V CB -0.253 31.322 31.823 -0.413 0.000 0.777 925 V HN 0.492 nan 8.190 nan 0.000 0.464 926 E N 0.849 120.988 120.200 -0.102 0.000 2.008 926 E HA -0.178 4.190 4.350 0.029 0.000 0.191 926 E C 2.332 179.000 176.600 0.113 0.000 0.986 926 E CA 1.042 57.417 56.400 -0.042 0.000 0.807 926 E CB -0.096 29.636 29.700 0.054 0.000 0.766 926 E HN 0.360 nan 8.360 nan 0.000 0.450 927 R N 0.147 120.746 120.500 0.164 0.000 2.133 927 R HA -0.199 4.158 4.340 0.029 0.000 0.247 927 R C 2.229 178.645 176.300 0.193 0.000 1.151 927 R CA 1.456 57.675 56.100 0.197 0.000 0.971 927 R CB -0.382 30.001 30.300 0.137 0.000 0.866 927 R HN 0.134 nan 8.270 nan 0.000 0.447 928 F N 0.421 120.386 119.950 0.026 0.000 2.075 928 F HA -0.216 4.328 4.527 0.029 0.000 0.297 928 F C 2.048 177.851 175.800 0.004 0.000 1.113 928 F CA 1.784 59.793 58.000 0.015 0.000 1.218 928 F CB -0.330 38.653 39.000 -0.028 0.000 0.984 928 F HN -0.057 nan 8.300 nan 0.000 0.472 929 V N -1.573 118.446 119.914 0.174 0.000 2.407 929 V HA -0.286 3.851 4.120 0.029 0.000 0.248 929 V C 2.055 178.122 176.094 -0.046 0.000 1.055 929 V CA 1.746 64.085 62.300 0.065 0.000 1.049 929 V CB -1.790 29.992 31.823 -0.070 0.000 0.662 929 V HN 0.472 nan 8.190 nan 0.000 0.455 930 Y N 2.584 122.860 120.300 -0.041 0.000 2.070 930 Y HA -0.231 4.337 4.550 0.029 0.000 0.279 930 Y C 3.275 179.098 175.900 -0.129 0.000 1.134 930 Y CA 2.659 60.688 58.100 -0.118 0.000 1.113 930 Y CB -0.565 37.820 38.460 -0.124 0.000 0.981 930 Y HN 0.434 nan 8.280 nan 0.000 0.487 931 S N -1.140 114.624 115.700 0.108 0.000 2.400 931 S HA -0.295 4.192 4.470 0.029 0.000 0.232 931 S C 2.088 176.740 174.600 0.087 0.000 1.025 931 S CA 1.264 59.532 58.200 0.112 0.000 0.993 931 S CB -1.393 61.900 63.200 0.155 0.000 0.808 931 S HN 0.616 nan 8.310 nan 0.000 0.478 932 C N 1.857 121.083 119.300 -0.122 0.000 2.446 932 C HA 0.257 4.734 4.460 0.029 0.000 0.277 932 C C 3.158 178.191 174.990 0.072 0.000 1.275 932 C CA 0.756 59.675 59.018 -0.164 0.000 1.727 932 C CB -1.716 25.753 27.740 -0.452 0.000 2.010 932 C HN 0.711 nan 8.230 nan 0.000 0.486 933 A N 0.451 123.281 122.820 0.016 0.000 1.873 933 A HA 0.102 4.439 4.320 0.029 0.000 0.215 933 A C 2.464 179.911 177.584 -0.229 0.000 1.186 933 A CA 2.113 54.009 52.037 -0.236 0.000 0.616 933 A CB -1.516 17.227 19.000 -0.428 0.000 0.823 933 A HN 0.666 nan 8.150 nan 0.000 0.442 934 G N -1.658 107.005 108.800 -0.229 0.000 2.446 934 G HA2 -0.249 3.729 3.960 0.029 0.000 0.217 934 G HA3 -0.249 3.729 3.960 0.029 0.000 0.217 934 G C 1.480 176.326 174.900 -0.091 0.000 1.168 934 G CA 1.230 46.162 45.100 -0.279 0.000 0.771 934 G HN 0.571 nan 8.290 nan 0.000 0.551 935 Y N -0.184 120.100 120.300 -0.027 0.000 2.439 935 Y HA -0.049 4.518 4.550 0.029 0.000 0.292 935 Y C 2.968 178.795 175.900 -0.122 0.000 1.130 935 Y CA 0.472 58.530 58.100 -0.070 0.000 1.254 935 Y CB -0.040 38.367 38.460 -0.089 0.000 1.000 935 Y HN 0.230 nan 8.280 nan 0.000 0.554 936 C N -1.547 117.753 119.300 -0.000 0.000 2.467 936 C HA -0.059 4.418 4.460 0.029 0.000 0.279 936 C C 2.600 177.354 174.990 -0.393 0.000 1.347 936 C CA 0.520 59.362 59.018 -0.293 0.000 1.748 936 C CB -0.838 26.736 27.740 -0.275 0.000 1.977 936 C HN 0.324 nan 8.230 nan 0.000 0.501 937 V N 1.152 121.002 119.914 -0.107 0.000 2.300 937 V HA -0.061 4.076 4.120 0.029 0.000 0.241 937 V C 2.742 178.951 176.094 0.190 0.000 1.034 937 V CA 1.984 64.338 62.300 0.089 0.000 1.021 937 V CB -1.397 30.478 31.823 0.087 0.000 0.662 937 V HN 0.489 nan 8.190 nan 0.000 0.458 938 A N 1.072 123.999 122.820 0.179 0.000 1.927 938 A HA -0.326 4.011 4.320 0.029 0.000 0.220 938 A C 2.464 180.103 177.584 0.091 0.000 1.185 938 A CA 3.230 55.326 52.037 0.098 0.000 0.639 938 A CB -1.180 17.829 19.000 0.014 0.000 0.820 938 A HN 0.687 nan 8.150 nan 0.000 0.451 939 T N -3.504 111.118 114.554 0.112 0.000 2.770 939 T HA -0.134 4.233 4.350 0.029 0.000 0.263 939 T C 1.727 176.585 174.700 0.264 0.000 1.039 939 T CA 1.423 63.628 62.100 0.176 0.000 1.142 939 T CB -0.582 68.393 68.868 0.179 0.000 0.868 939 T HN 0.398 nan 8.240 nan 0.000 0.435 940 F N 2.459 122.489 119.950 0.133 0.000 2.202 940 F HA -0.009 4.535 4.527 0.029 0.000 0.301 940 F C 2.055 178.019 175.800 0.273 0.000 1.082 940 F CA 0.617 58.761 58.000 0.241 0.000 1.313 940 F CB -0.469 38.652 39.000 0.201 0.000 1.024 940 F HN 0.025 nan 8.300 nan 0.000 0.495 941 V N 0.453 120.408 119.914 0.068 0.000 2.453 941 V HA -0.233 3.904 4.120 0.029 0.000 0.247 941 V C 2.250 178.283 176.094 -0.102 0.000 1.048 941 V CA 1.622 63.855 62.300 -0.111 0.000 1.049 941 V CB -0.625 31.192 31.823 -0.010 0.000 0.672 941 V HN 0.333 nan 8.190 nan 0.000 0.457 942 L N 0.506 121.772 121.223 0.072 0.000 2.599 942 L HA 0.289 4.646 4.340 0.029 0.000 0.230 942 L C 1.760 178.837 176.870 0.344 0.000 1.141 942 L CA 0.833 55.799 54.840 0.210 0.000 0.877 942 L CB -0.496 41.677 42.059 0.191 0.000 1.009 942 L HN 0.549 nan 8.230 nan 0.000 0.447 943 G N 1.537 110.535 108.800 0.330 0.000 2.153 943 G HA2 -0.299 3.678 3.960 0.029 0.000 0.252 943 G HA3 -0.299 3.678 3.960 0.029 0.000 0.252 943 G C 0.608 175.586 174.900 0.131 0.000 0.994 943 G CA 0.475 45.668 45.100 0.154 0.000 0.698 943 G HN 0.566 nan 8.290 nan 0.000 0.521 944 I N -2.268 118.442 120.570 0.234 0.000 3.626 944 I HA 0.591 4.779 4.170 0.029 0.000 0.345 944 I C 1.364 177.691 176.117 0.350 0.000 1.502 944 I CA 0.022 61.488 61.300 0.276 0.000 1.135 944 I CB -0.112 38.076 38.000 0.314 0.000 1.456 944 I HN -0.001 nan 8.210 nan 0.000 0.460 945 G N 1.298 110.313 108.800 0.359 0.000 2.404 945 G HA2 -0.187 3.790 3.960 0.029 0.000 0.214 945 G HA3 -0.187 3.790 3.960 0.029 0.000 0.214 945 G C 0.499 175.649 174.900 0.416 0.000 1.189 945 G CA 0.322 45.694 45.100 0.453 0.000 0.789 945 G HN 0.489 nan 8.290 nan 0.000 0.533 946 D N 1.162 121.764 120.400 0.336 0.000 2.348 946 D HA 0.168 4.826 4.640 0.029 0.000 0.259 946 D C 0.430 176.959 176.300 0.381 0.000 1.296 946 D CA -0.007 54.170 54.000 0.296 0.000 0.931 946 D CB 0.223 41.193 40.800 0.284 0.000 1.067 946 D HN -0.005 nan 8.370 nan 0.000 0.503 947 R N 1.987 122.688 120.500 0.336 0.000 2.943 947 R HA 0.377 4.734 4.340 0.029 0.000 0.246 947 R C 0.309 176.875 176.300 0.443 0.000 1.201 947 R CA -0.743 55.578 56.100 0.369 0.000 1.056 947 R CB 0.655 31.075 30.300 0.201 0.000 1.243 947 R HN 0.556 nan 8.270 nan 0.000 0.498 948 H N 0.573 119.852 119.070 0.349 0.000 2.544 948 H HA 0.157 4.730 4.556 0.029 0.000 0.342 948 H C 0.584 175.971 175.328 0.099 0.000 1.185 948 H CA -0.354 55.905 56.048 0.351 0.000 1.264 948 H CB 1.637 31.674 29.762 0.458 0.000 1.607 948 H HN 0.510 nan 8.280 nan 0.000 0.550 949 N N 1.405 119.723 118.700 -0.638 0.000 2.443 949 N HA -0.186 4.572 4.740 0.029 0.000 0.184 949 N C 0.847 176.102 175.510 -0.425 0.000 1.037 949 N CA 1.037 53.793 53.050 -0.491 0.000 0.896 949 N CB 0.022 38.238 38.487 -0.453 0.000 0.959 949 N HN 0.617 nan 8.380 nan 0.000 0.442 950 D N 0.243 120.370 120.400 -0.456 0.000 2.234 950 D HA -0.028 4.630 4.640 0.029 0.000 0.205 950 D C 0.469 176.710 176.300 -0.098 0.000 0.962 950 D CA 0.988 54.921 54.000 -0.113 0.000 0.855 950 D CB -0.174 40.751 40.800 0.209 0.000 0.951 950 D HN 0.271 nan 8.370 nan 0.000 0.500 951 N N -0.763 117.879 118.700 -0.096 0.000 2.295 951 N HA 0.237 4.995 4.740 0.029 0.000 0.221 951 N C -0.595 174.721 175.510 -0.323 0.000 1.129 951 N CA -0.037 52.918 53.050 -0.158 0.000 0.836 951 N CB 0.843 39.282 38.487 -0.081 0.000 1.040 951 N HN 0.196 nan 8.380 nan 0.000 0.494 952 I N 0.814 121.177 120.570 -0.344 0.000 2.498 952 I HA 0.380 4.568 4.170 0.029 0.000 0.290 952 I C -0.409 175.455 176.117 -0.421 0.000 1.032 952 I CA -0.584 60.444 61.300 -0.454 0.000 1.073 952 I CB 1.744 39.519 38.000 -0.374 0.000 1.251 952 I HN -0.138 nan 8.210 nan 0.000 0.426 953 M N 5.939 125.146 119.600 -0.655 0.000 2.819 953 M HA 0.684 5.181 4.480 0.029 0.000 0.300 953 M C -1.047 175.005 176.300 -0.414 0.000 1.237 953 M CA -0.977 53.943 55.300 -0.633 0.000 0.813 953 M CB 3.252 35.284 32.600 -0.946 0.000 1.755 953 M HN 0.534 nan 8.290 nan 0.000 0.484 954 I N 0.173 120.718 120.570 -0.041 0.000 2.710 954 I HA 0.339 4.526 4.170 0.029 0.000 0.290 954 I C -0.477 175.913 176.117 0.454 0.000 1.318 954 I CA -0.142 61.324 61.300 0.276 0.000 1.045 954 I CB 2.203 40.352 38.000 0.248 0.000 1.307 954 I HN 0.842 nan 8.210 nan 0.000 0.424 955 T N 1.617 116.466 114.554 0.492 0.000 2.860 955 T HA 0.291 4.658 4.350 0.029 0.000 0.299 955 T C 0.793 175.744 174.700 0.419 0.000 1.045 955 T CA -0.284 62.057 62.100 0.402 0.000 1.071 955 T CB 1.033 70.047 68.868 0.244 0.000 0.985 955 T HN 0.746 nan 8.240 nan 0.000 0.537 956 E N -0.101 120.282 120.200 0.305 0.000 2.401 956 E HA -0.090 4.277 4.350 0.029 0.000 0.199 956 E C 1.324 177.976 176.600 0.086 0.000 1.023 956 E CA 0.956 57.415 56.400 0.099 0.000 0.859 956 E CB -0.026 29.660 29.700 -0.024 0.000 0.780 956 E HN 0.738 nan 8.360 nan 0.000 0.523 957 T N -1.410 113.229 114.554 0.141 0.000 3.269 957 T HA 0.336 4.703 4.350 0.029 0.000 0.269 957 T C 0.914 175.701 174.700 0.144 0.000 0.993 957 T CA 0.508 62.672 62.100 0.107 0.000 0.909 957 T CB -0.021 68.895 68.868 0.080 0.000 1.115 957 T HN 0.306 nan 8.240 nan 0.000 0.543 958 G N 1.930 110.864 108.800 0.224 0.000 2.199 958 G HA2 -0.241 3.736 3.960 0.029 0.000 0.254 958 G HA3 -0.241 3.736 3.960 0.029 0.000 0.254 958 G C 0.162 175.252 174.900 0.316 0.000 0.982 958 G CA -0.050 45.224 45.100 0.289 0.000 0.632 958 G HN 0.612 nan 8.290 nan 0.000 0.529 959 N N 0.755 119.609 118.700 0.257 0.000 2.405 959 N HA 0.388 5.145 4.740 0.029 0.000 0.260 959 N C 0.013 175.713 175.510 0.317 0.000 1.152 959 N CA -0.130 53.059 53.050 0.233 0.000 0.948 959 N CB 0.685 39.274 38.487 0.170 0.000 1.111 959 N HN 0.401 nan 8.380 nan 0.000 0.485 960 L N 5.414 126.751 121.223 0.189 0.000 2.350 960 L HA 0.568 4.925 4.340 0.029 0.000 0.275 960 L C -0.823 176.132 176.870 0.142 0.000 1.099 960 L CA -0.262 54.630 54.840 0.087 0.000 0.808 960 L CB 0.192 42.089 42.059 -0.271 0.000 1.149 960 L HN 0.458 nan 8.230 nan 0.000 0.442 961 F N 1.452 121.206 119.950 -0.326 0.000 2.635 961 F HA 0.466 5.010 4.527 0.029 0.000 0.314 961 F C -0.756 174.809 175.800 -0.392 0.000 1.119 961 F CA -0.956 56.636 58.000 -0.681 0.000 1.000 961 F CB 0.688 39.640 39.000 -0.081 0.000 1.278 961 F HN 0.467 nan 8.300 nan 0.000 0.446 962 H N 3.230 121.902 119.070 -0.664 0.000 2.546 962 H HA 0.765 5.338 4.556 0.029 0.000 0.365 962 H C -0.146 175.085 175.328 -0.161 0.000 1.220 962 H CA -0.036 55.841 56.048 -0.285 0.000 1.386 962 H CB 2.144 31.924 29.762 0.029 0.000 1.510 962 H HN 0.786 nan 8.280 nan 0.000 0.591 963 I N -2.479 117.902 120.570 -0.315 0.000 3.279 963 I HA 0.254 4.441 4.170 0.029 0.000 0.315 963 I C -0.739 175.029 176.117 -0.582 0.000 1.225 963 I CA -1.175 59.931 61.300 -0.324 0.000 0.947 963 I CB 1.932 39.810 38.000 -0.204 0.000 1.293 963 I HN 0.517 nan 8.210 nan 0.000 0.468 964 D N 1.609 121.818 120.400 -0.318 0.000 3.003 964 D HA -0.247 4.410 4.640 0.029 0.000 0.223 964 D C -0.946 175.210 176.300 -0.241 0.000 1.204 964 D CA 0.780 54.667 54.000 -0.188 0.000 0.828 964 D CB -0.916 39.825 40.800 -0.098 0.000 0.918 964 D HN 0.489 nan 8.370 nan 0.000 0.401 965 F N 1.028 121.037 119.950 0.099 0.000 2.659 965 F HA 0.399 4.944 4.527 0.029 0.000 0.360 965 F C 2.009 177.807 175.800 -0.003 0.000 1.218 965 F CA -0.107 57.939 58.000 0.076 0.000 1.317 965 F CB -0.005 39.045 39.000 0.083 0.000 1.697 965 F HN 0.232 nan 8.300 nan 0.000 0.637 966 G N 0.488 109.316 108.800 0.048 0.000 2.611 966 G HA2 -0.128 3.849 3.960 0.029 0.000 0.147 966 G HA3 -0.128 3.849 3.960 0.029 0.000 0.147 966 G C 0.472 175.268 174.900 -0.174 0.000 1.798 966 G CA -0.231 44.785 45.100 -0.140 0.000 0.973 966 G HN 0.508 nan 8.290 nan 0.000 0.416 967 H N 0.528 119.638 119.070 0.066 0.000 2.672 967 H HA 0.429 5.002 4.556 0.029 0.000 0.262 967 H C 1.086 176.453 175.328 0.065 0.000 1.577 967 H CA 0.159 56.238 56.048 0.052 0.000 1.183 967 H CB -1.619 28.157 29.762 0.025 0.000 1.546 967 H HN 0.402 nan 8.280 nan 0.000 0.502 983 V N 3.489 123.396 119.914 -0.012 0.000 2.612 983 V HA 0.377 4.514 4.120 0.029 0.000 0.301 983 V C -2.080 174.017 176.094 0.005 0.000 1.059 983 V CA -1.764 60.491 62.300 -0.074 0.000 0.886 983 V CB 2.276 34.002 31.823 -0.161 0.000 1.007 983 V HN 0.010 nan 8.190 nan 0.000 0.426 984 P HA -0.081 nan 4.420 nan 0.000 0.218 984 P C -0.252 177.334 177.300 0.475 0.000 1.152 984 P CA 1.944 65.184 63.100 0.233 0.000 0.857 984 P CB -0.061 31.624 31.700 -0.024 0.000 0.787 985 F N -7.818 112.209 119.950 0.128 0.000 2.829 985 F HA 0.320 4.864 4.527 0.029 0.000 0.319 985 F C -1.310 174.569 175.800 0.131 0.000 1.153 985 F CA -1.688 56.422 58.000 0.183 0.000 0.912 985 F CB 0.419 39.559 39.000 0.234 0.000 1.292 985 F HN -0.553 nan 8.300 nan 0.000 0.447 986 V N 2.817 122.949 119.914 0.363 0.000 2.400 986 V HA 0.218 4.355 4.120 0.029 0.000 0.263 986 V C -0.334 175.963 176.094 0.338 0.000 1.026 986 V CA 0.297 62.740 62.300 0.237 0.000 1.077 986 V CB 0.210 32.192 31.823 0.264 0.000 1.054 986 V HN 0.606 nan 8.190 nan 0.000 0.477 987 L N 6.928 128.217 121.223 0.111 0.000 2.480 987 L HA 0.466 4.823 4.340 0.029 0.000 0.253 987 L C 0.483 177.330 176.870 -0.039 0.000 1.324 987 L CA -0.004 54.954 54.840 0.198 0.000 0.916 987 L CB 1.191 43.287 42.059 0.061 0.000 1.160 987 L HN 0.682 nan 8.230 nan 0.000 0.503 988 T N 0.491 114.915 114.554 -0.217 0.000 2.913 988 T HA 0.423 4.790 4.350 0.029 0.000 0.287 988 T C -1.867 172.434 174.700 -0.665 0.000 1.008 988 T CA -1.704 59.940 62.100 -0.760 0.000 1.067 988 T CB 0.916 68.990 68.868 -1.324 0.000 0.996 988 T HN 0.223 nan 8.240 nan 0.000 0.513 989 P HA -0.176 nan 4.420 nan 0.000 0.219 989 P C 1.209 178.437 177.300 -0.120 0.000 1.144 989 P CA 1.174 64.098 63.100 -0.293 0.000 0.806 989 P CB -0.038 31.565 31.700 -0.162 0.000 0.771 990 D N -1.485 118.749 120.400 -0.278 0.000 2.178 990 D HA -0.173 4.485 4.640 0.029 0.000 0.202 990 D C 1.567 177.856 176.300 -0.018 0.000 0.974 990 D CA 1.156 55.123 54.000 -0.056 0.000 0.841 990 D CB -1.295 39.503 40.800 -0.002 0.000 0.953 990 D HN 0.134 nan 8.370 nan 0.000 0.478 991 F N 1.019 120.990 119.950 0.036 0.000 2.163 991 F HA 0.118 4.663 4.527 0.029 0.000 0.297 991 F C 2.517 178.343 175.800 0.043 0.000 1.094 991 F CA 0.238 58.317 58.000 0.132 0.000 1.290 991 F CB -0.953 38.164 39.000 0.195 0.000 1.017 991 F HN -0.073 nan 8.300 nan 0.000 0.483 992 L N -1.346 119.983 121.223 0.178 0.000 2.079 992 L HA -0.260 4.097 4.340 0.029 0.000 0.210 992 L C 2.474 179.406 176.870 0.102 0.000 1.081 992 L CA 1.369 56.264 54.840 0.092 0.000 0.752 992 L CB -0.863 41.204 42.059 0.012 0.000 0.896 992 L HN 0.085 nan 8.230 nan 0.000 0.433 993 F N 0.461 120.407 119.950 -0.007 0.000 2.161 993 F HA -0.197 4.347 4.527 0.029 0.000 0.300 993 F C 2.226 178.024 175.800 -0.004 0.000 1.089 993 F CA 1.429 59.425 58.000 -0.006 0.000 1.282 993 F CB -0.211 38.782 39.000 -0.011 0.000 1.010 993 F HN -0.244 nan 8.300 nan 0.000 0.485 994 V N 0.366 120.263 119.914 -0.027 0.000 2.515 994 V HA -0.296 3.841 4.120 0.029 0.000 0.250 994 V C 2.122 178.134 176.094 -0.136 0.000 1.058 994 V CA 1.950 64.140 62.300 -0.183 0.000 1.064 994 V CB -0.660 30.905 31.823 -0.430 0.000 0.675 994 V HN 0.343 nan 8.190 nan 0.000 0.461 995 M N 0.152 119.730 119.600 -0.037 0.000 2.633 995 M HA 0.267 4.764 4.480 0.029 0.000 0.226 995 M C 1.287 177.634 176.300 0.079 0.000 1.137 995 M CA 0.709 56.058 55.300 0.082 0.000 1.020 995 M CB -0.099 32.580 32.600 0.132 0.000 1.675 995 M HN 0.465 nan 8.290 nan 0.000 0.500 996 G N 1.922 110.686 108.800 -0.060 0.000 2.350 996 G HA2 -0.205 3.772 3.960 0.029 0.000 0.298 996 G HA3 -0.205 3.772 3.960 0.029 0.000 0.298 996 G C -0.231 174.626 174.900 -0.071 0.000 1.037 996 G CA 0.311 45.345 45.100 -0.111 0.000 1.074 996 G HN 0.418 nan 8.290 nan 0.000 0.511 997 T N -0.538 113.976 114.554 -0.067 0.000 2.993 997 T HA 0.665 5.032 4.350 0.029 0.000 0.312 997 T C -0.367 174.303 174.700 -0.050 0.000 1.115 997 T CA 0.232 62.269 62.100 -0.105 0.000 1.027 997 T CB 1.929 70.648 68.868 -0.247 0.000 1.116 997 T HN 1.296 nan 8.240 nan 0.000 0.464 998 S N 2.032 117.698 115.700 -0.057 0.000 2.647 998 S HA 0.602 5.090 4.470 0.029 0.000 0.300 998 S C 0.661 175.228 174.600 -0.055 0.000 1.129 998 S CA 0.072 58.267 58.200 -0.008 0.000 1.029 998 S CB 0.879 64.109 63.200 0.050 0.000 1.007 998 S HN 1.389 nan 8.310 nan 0.000 0.484 999 G N 2.566 111.332 108.800 -0.057 0.000 2.167 999 G HA2 0.236 4.214 3.960 0.029 0.000 0.233 999 G HA3 0.236 4.214 3.960 0.029 0.000 0.233 999 G C 0.894 175.743 174.900 -0.085 0.000 0.493 999 G CA 0.983 46.042 45.100 -0.069 0.000 1.034 999 G HN 2.320 nan 8.290 nan 0.000 0.410 1000 K N -0.779 119.541 120.400 -0.132 0.000 3.606 1000 K HA -0.162 4.175 4.320 0.029 0.000 0.255 1000 K C 1.127 177.641 176.600 -0.143 0.000 1.053 1000 K CA 2.436 58.648 56.287 -0.124 0.000 1.054 1000 K CB -2.012 30.445 32.500 -0.072 0.000 1.288 1000 K HN 2.253 nan 8.250 nan 0.000 0.553 1001 K N 1.471 121.779 120.400 -0.153 0.000 2.202 1001 K HA 0.625 4.962 4.320 0.029 0.000 0.264 1001 K C 0.104 176.566 176.600 -0.230 0.000 1.010 1001 K CA 0.419 56.623 56.287 -0.139 0.000 0.940 1001 K CB 1.601 34.046 32.500 -0.092 0.000 0.983 1001 K HN 0.271 nan 8.250 nan 0.000 0.475 1002 T N 1.370 115.836 114.554 -0.146 0.000 2.888 1002 T HA 0.568 4.935 4.350 0.029 0.000 0.284 1002 T C -0.782 173.902 174.700 -0.026 0.000 1.017 1002 T CA -0.731 61.299 62.100 -0.118 0.000 1.022 1002 T CB 1.342 70.219 68.868 0.015 0.000 1.013 1002 T HN 0.817 nan 8.240 nan 0.000 0.465 1003 S N 1.664 117.401 115.700 0.063 0.000 2.685 1003 S HA 0.622 5.109 4.470 0.029 0.000 0.282 1003 S C -2.297 172.378 174.600 0.125 0.000 1.159 1003 S CA -1.445 56.794 58.200 0.065 0.000 0.833 1003 S CB 1.668 64.886 63.200 0.030 0.000 1.151 1003 S HN 0.354 nan 8.310 nan 0.000 0.485 1004 P HA -0.074 nan 4.420 nan 0.000 0.215 1004 P C 1.057 178.417 177.300 0.100 0.000 1.157 1004 P CA 1.469 64.578 63.100 0.016 0.000 0.859 1004 P CB -0.354 31.280 31.700 -0.111 0.000 0.786 1005 H N -1.708 117.414 119.070 0.087 0.000 2.489 1005 H HA -0.059 4.514 4.556 0.029 0.000 0.293 1005 H C 1.779 177.205 175.328 0.164 0.000 1.066 1005 H CA 0.730 56.830 56.048 0.086 0.000 1.305 1005 H CB -0.937 28.861 29.762 0.060 0.000 1.386 1005 H HN 0.197 nan 8.280 nan 0.000 0.551 1006 F N 1.018 121.069 119.950 0.168 0.000 2.387 1006 F HA 0.007 4.552 4.527 0.029 0.000 0.294 1006 F C 2.058 177.966 175.800 0.180 0.000 1.093 1006 F CA 0.476 58.573 58.000 0.161 0.000 1.420 1006 F CB 0.219 39.266 39.000 0.079 0.000 1.086 1006 F HN -0.024 nan 8.300 nan 0.000 0.531 1007 Q N 0.196 120.105 119.800 0.182 0.000 2.378 1007 Q HA -0.130 4.227 4.340 0.029 0.000 0.205 1007 Q C 1.927 177.929 176.000 0.003 0.000 0.954 1007 Q CA 0.918 56.757 55.803 0.059 0.000 0.901 1007 Q CB -0.016 28.786 28.738 0.106 0.000 0.981 1007 Q HN 0.388 nan 8.270 nan 0.000 0.483 1008 K N -0.059 120.371 120.400 0.050 0.000 2.262 1008 K HA -0.059 4.278 4.320 0.029 0.000 0.200 1008 K C 1.581 178.161 176.600 -0.034 0.000 1.049 1008 K CA 0.264 56.558 56.287 0.012 0.000 0.979 1008 K CB 0.117 32.657 32.500 0.067 0.000 0.773 1008 K HN 0.086 nan 8.250 nan 0.000 0.474 1009 F N 2.241 122.093 119.950 -0.163 0.000 2.084 1009 F HA -0.129 4.415 4.527 0.029 0.000 0.296 1009 F C 2.003 177.667 175.800 -0.226 0.000 1.111 1009 F CA 1.601 59.480 58.000 -0.201 0.000 1.224 1009 F CB -0.077 38.803 39.000 -0.200 0.000 0.991 1009 F HN 0.034 nan 8.300 nan 0.000 0.471 1010 Q N -0.424 119.208 119.800 -0.281 0.000 2.291 1010 Q HA -0.202 4.155 4.340 0.029 0.000 0.206 1010 Q C 1.624 177.497 176.000 -0.212 0.000 0.976 1010 Q CA 1.458 57.093 55.803 -0.281 0.000 0.875 1010 Q CB -0.272 28.319 28.738 -0.245 0.000 0.927 1010 Q HN 0.449 nan 8.270 nan 0.000 0.450 1011 D N 0.544 120.837 120.400 -0.179 0.000 2.091 1011 D HA -0.121 4.536 4.640 0.029 0.000 0.199 1011 D C 1.696 177.889 176.300 -0.178 0.000 0.980 1011 D CA 0.868 54.788 54.000 -0.134 0.000 0.831 1011 D CB 0.083 40.831 40.800 -0.087 0.000 0.987 1011 D HN 0.045 nan 8.370 nan 0.000 0.460 1012 I N 0.731 121.161 120.570 -0.234 0.000 2.163 1012 I HA -0.284 3.903 4.170 0.029 0.000 0.243 1012 I C 2.626 178.532 176.117 -0.352 0.000 1.085 1012 I CA 0.656 61.792 61.300 -0.273 0.000 1.347 1012 I CB -1.309 36.511 38.000 -0.300 0.000 1.044 1012 I HN 0.248 nan 8.210 nan 0.000 0.408 1013 C N 0.605 119.638 119.300 -0.445 0.000 2.396 1013 C HA -0.175 4.302 4.460 0.029 0.000 0.281 1013 C C 3.006 177.764 174.990 -0.386 0.000 1.208 1013 C CA 1.049 59.800 59.018 -0.445 0.000 1.754 1013 C CB -1.031 26.464 27.740 -0.408 0.000 2.044 1013 C HN 0.361 nan 8.230 nan 0.000 0.449 1014 V N 1.002 120.744 119.914 -0.286 0.000 2.392 1014 V HA -0.256 3.881 4.120 0.029 0.000 0.249 1014 V C 2.445 178.446 176.094 -0.155 0.000 1.059 1014 V CA 2.171 64.345 62.300 -0.209 0.000 1.051 1014 V CB -0.764 31.007 31.823 -0.086 0.000 0.658 1014 V HN 0.570 nan 8.190 nan 0.000 0.455 1015 K N -0.062 120.239 120.400 -0.165 0.000 2.147 1015 K HA -0.160 4.177 4.320 0.029 0.000 0.205 1015 K C 2.093 178.597 176.600 -0.160 0.000 1.049 1015 K CA 1.513 57.717 56.287 -0.137 0.000 0.936 1015 K CB -0.186 32.236 32.500 -0.129 0.000 0.722 1015 K HN 0.492 nan 8.250 nan 0.000 0.446 1016 A N -0.269 122.406 122.820 -0.243 0.000 1.911 1016 A HA -0.090 4.248 4.320 0.029 0.000 0.212 1016 A C 1.895 179.507 177.584 0.047 0.000 1.189 1016 A CA 0.555 52.447 52.037 -0.241 0.000 0.639 1016 A CB -0.660 17.919 19.000 -0.702 0.000 0.839 1016 A HN 0.486 nan 8.150 nan 0.000 0.449 1017 Y N 0.887 121.029 120.300 -0.263 0.000 2.207 1017 Y HA -0.154 4.414 4.550 0.029 0.000 0.287 1017 Y C 1.751 177.515 175.900 -0.225 0.000 1.156 1017 Y CA 1.835 59.750 58.100 -0.308 0.000 1.182 1017 Y CB -0.235 37.768 38.460 -0.761 0.000 0.979 1017 Y HN 0.209 nan 8.280 nan 0.000 0.521 1018 L N -0.591 120.438 121.223 -0.322 0.000 2.179 1018 L HA -0.065 4.292 4.340 0.029 0.000 0.208 1018 L C 2.761 179.267 176.870 -0.607 0.000 1.096 1018 L CA 0.758 55.314 54.840 -0.474 0.000 0.779 1018 L CB -0.866 41.012 42.059 -0.302 0.000 0.922 1018 L HN 0.293 nan 8.230 nan 0.000 0.443 1019 A N 0.529 123.162 122.820 -0.311 0.000 1.940 1019 A HA -0.177 4.161 4.320 0.029 0.000 0.219 1019 A C 2.234 179.657 177.584 -0.268 0.000 1.176 1019 A CA 1.486 53.410 52.037 -0.188 0.000 0.631 1019 A CB -0.629 18.470 19.000 0.166 0.000 0.814 1019 A HN 0.376 nan 8.150 nan 0.000 0.446 1020 L N -1.425 119.660 121.223 -0.230 0.000 2.109 1020 L HA -0.118 4.239 4.340 0.029 0.000 0.207 1020 L C 2.699 179.392 176.870 -0.295 0.000 1.086 1020 L CA 1.140 55.829 54.840 -0.252 0.000 0.760 1020 L CB -0.509 41.420 42.059 -0.217 0.000 0.910 1020 L HN 0.338 nan 8.230 nan 0.000 0.437 1021 R N -0.698 119.538 120.500 -0.440 0.000 2.241 1021 R HA -0.124 4.233 4.340 0.029 0.000 0.224 1021 R C 1.866 178.042 176.300 -0.206 0.000 1.101 1021 R CA 0.864 56.741 56.100 -0.371 0.000 0.995 1021 R CB -0.337 29.680 30.300 -0.472 0.000 0.870 1021 R HN 0.552 nan 8.270 nan 0.000 0.463 1022 H N -1.694 117.225 119.070 -0.251 0.000 2.547 1022 H HA -0.001 4.572 4.556 0.028 0.000 0.272 1022 H C 0.446 175.654 175.328 -0.199 0.000 0.989 1022 H CA 0.597 56.490 56.048 -0.258 0.000 1.214 1022 H CB 0.250 29.796 29.762 -0.361 0.000 1.389 1022 H HN 0.378 nan 8.280 nan 0.000 0.577 1023 H N -1.199 117.878 119.070 0.011 0.000 2.492 1023 H HA 0.110 4.683 4.556 0.028 0.000 0.264 1023 H C 1.102 176.398 175.328 -0.053 0.000 1.150 1023 H CA -0.359 55.675 56.048 -0.022 0.000 0.962 1023 H CB 0.849 30.589 29.762 -0.037 0.000 1.766 1023 H HN 0.140 nan 8.280 nan 0.000 0.589 1024 T N 0.921 115.492 114.554 0.029 0.000 2.620 1024 T HA -0.249 4.118 4.350 0.029 0.000 0.267 1024 T C 1.850 176.549 174.700 -0.001 0.000 1.044 1024 T CA 1.987 64.070 62.100 -0.028 0.000 1.161 1024 T CB -0.175 68.664 68.868 -0.048 0.000 0.862 1024 T HN 0.473 nan 8.240 nan 0.000 0.438 1025 N N 0.852 119.566 118.700 0.023 0.000 2.094 1025 N HA -0.031 4.726 4.740 0.029 0.000 0.191 1025 N C 1.740 177.263 175.510 0.021 0.000 1.023 1025 N CA 0.736 53.801 53.050 0.024 0.000 0.857 1025 N CB -0.629 37.877 38.487 0.031 0.000 1.013 1025 N HN 0.284 nan 8.380 nan 0.000 0.426 1026 L N 0.528 121.762 121.223 0.018 0.000 1.976 1026 L HA -0.147 4.210 4.340 0.029 0.000 0.209 1026 L C 1.893 178.778 176.870 0.024 0.000 1.071 1026 L CA 1.323 56.165 54.840 0.003 0.000 0.746 1026 L CB -0.475 41.563 42.059 -0.034 0.000 0.890 1026 L HN 0.205 nan 8.230 nan 0.000 0.432 1027 L N -0.177 121.055 121.223 0.016 0.000 1.990 1027 L HA -0.339 4.019 4.340 0.029 0.000 0.213 1027 L C 2.601 179.502 176.870 0.053 0.000 1.072 1027 L CA 1.717 56.563 54.840 0.011 0.000 0.755 1027 L CB -0.642 41.391 42.059 -0.043 0.000 0.889 1027 L HN 0.320 nan 8.230 nan 0.000 0.432 1028 I N -0.478 120.109 120.570 0.029 0.000 2.194 1028 I HA -0.348 3.840 4.170 0.029 0.000 0.246 1028 I C 2.507 178.698 176.117 0.123 0.000 1.093 1028 I CA 1.310 62.648 61.300 0.064 0.000 1.355 1028 I CB -0.236 37.777 38.000 0.022 0.000 1.046 1028 I HN 0.319 nan 8.210 nan 0.000 0.413 1029 I N 0.684 121.303 120.570 0.082 0.000 2.546 1029 I HA -0.186 4.001 4.170 0.029 0.000 0.255 1029 I C 2.247 178.413 176.117 0.081 0.000 1.163 1029 I CA 1.470 62.813 61.300 0.073 0.000 1.457 1029 I CB -0.179 37.847 38.000 0.044 0.000 1.092 1029 I HN 0.218 nan 8.210 nan 0.000 0.434 1030 L N -1.145 120.133 121.223 0.092 0.000 2.127 1030 L HA -0.170 4.188 4.340 0.029 0.000 0.203 1030 L C 2.491 179.416 176.870 0.091 0.000 1.080 1030 L CA 0.857 55.745 54.840 0.079 0.000 0.768 1030 L CB -0.824 41.276 42.059 0.067 0.000 0.924 1030 L HN 0.092 nan 8.230 nan 0.000 0.444 1031 F N 0.686 120.631 119.950 -0.008 0.000 2.102 1031 F HA -0.270 4.274 4.527 0.028 0.000 0.298 1031 F C 2.876 178.685 175.800 0.015 0.000 1.105 1031 F CA 1.773 59.772 58.000 -0.001 0.000 1.239 1031 F CB -0.242 38.759 39.000 0.003 0.000 0.991 1031 F HN -0.001 nan 8.300 nan 0.000 0.474 1032 S N 0.451 116.237 115.700 0.144 0.000 2.354 1032 S HA -0.288 4.200 4.470 0.029 0.000 0.219 1032 S C 2.184 176.770 174.600 -0.024 0.000 1.035 1032 S CA 2.000 60.226 58.200 0.044 0.000 1.037 1032 S CB -0.470 62.783 63.200 0.088 0.000 0.956 1032 S HN 0.503 nan 8.310 nan 0.000 0.428 1033 M N 0.556 120.173 119.600 0.027 0.000 2.082 1033 M HA -0.171 4.326 4.480 0.029 0.000 0.258 1033 M C 2.455 178.770 176.300 0.024 0.000 1.069 1033 M CA 2.197 57.548 55.300 0.086 0.000 1.102 1033 M CB -0.503 32.176 32.600 0.131 0.000 1.336 1033 M HN 0.556 nan 8.290 nan 0.000 0.404 1034 M N 0.742 120.306 119.600 -0.060 0.000 2.106 1034 M HA -0.261 4.236 4.480 0.029 0.000 0.259 1034 M C 1.845 178.056 176.300 -0.148 0.000 1.068 1034 M CA 1.786 57.013 55.300 -0.122 0.000 1.100 1034 M CB -0.169 32.328 32.600 -0.172 0.000 1.351 1034 M HN 0.263 nan 8.290 nan 0.000 0.404 1035 L N -0.288 120.807 121.223 -0.213 0.000 2.046 1035 L HA -0.223 4.134 4.340 0.029 0.000 0.208 1035 L C 2.565 179.392 176.870 -0.073 0.000 1.077 1035 L CA 1.463 56.190 54.840 -0.188 0.000 0.747 1035 L CB -0.823 41.090 42.059 -0.242 0.000 0.896 1035 L HN 0.492 nan 8.230 nan 0.000 0.432 1036 M N -0.651 118.943 119.600 -0.011 0.000 2.254 1036 M HA -0.091 4.406 4.480 0.029 0.000 0.265 1036 M C 2.098 178.416 176.300 0.030 0.000 1.066 1036 M CA 1.990 57.327 55.300 0.062 0.000 1.123 1036 M CB -0.558 32.154 32.600 0.188 0.000 1.388 1036 M HN 0.389 nan 8.290 nan 0.000 0.425 1037 T N -3.708 110.839 114.554 -0.011 0.000 3.023 1037 T HA 0.290 4.657 4.350 0.029 0.000 0.253 1037 T C 1.396 176.041 174.700 -0.092 0.000 1.038 1037 T CA 0.563 62.603 62.100 -0.099 0.000 0.962 1037 T CB 0.361 69.126 68.868 -0.172 0.000 1.018 1037 T HN 0.392 nan 8.240 nan 0.000 0.521 1038 G N 0.824 109.579 108.800 -0.074 0.000 2.659 1038 G HA2 0.468 4.445 3.960 0.029 0.000 0.197 1038 G HA3 0.468 4.445 3.960 0.029 0.000 0.197 1038 G C 0.453 175.329 174.900 -0.039 0.000 1.099 1038 G CA 0.368 45.429 45.100 -0.066 0.000 0.759 1038 G HN 0.744 nan 8.290 nan 0.000 0.715 1039 M N 1.984 121.558 119.600 -0.043 0.000 2.055 1039 M HA 0.763 5.260 4.480 0.029 0.000 0.346 1039 M C -3.003 173.291 176.300 -0.010 0.000 1.074 1039 M CA -1.934 53.357 55.300 -0.015 0.000 1.009 1039 M CB 0.703 33.282 32.600 -0.037 0.000 1.423 1039 M HN 0.011 nan 8.290 nan 0.000 0.410 1040 P HA 0.849 nan 4.420 nan 0.000 0.285 1040 P C 0.340 177.638 177.300 -0.003 0.000 1.269 1040 P CA 0.320 63.416 63.100 -0.007 0.000 0.844 1040 P CB 1.276 32.969 31.700 -0.012 0.000 1.094 1041 Q N 1.095 120.894 119.800 -0.001 0.000 2.304 1041 Q HA 0.494 4.852 4.340 0.029 0.000 0.199 1041 Q C 1.245 177.265 176.000 0.034 0.000 0.997 1041 Q CA 0.948 56.751 55.803 0.000 0.000 0.846 1041 Q CB -1.061 27.676 28.738 -0.002 0.000 1.004 1041 Q HN 0.559 nan 8.270 nan 0.000 0.555 1042 L N 3.222 124.491 121.223 0.077 0.000 2.534 1042 L HA 0.576 4.934 4.340 0.029 0.000 0.271 1042 L C 0.752 177.713 176.870 0.153 0.000 1.178 1042 L CA 0.462 55.430 54.840 0.212 0.000 0.907 1042 L CB -0.800 41.449 42.059 0.316 0.000 1.164 1042 L HN 0.859 nan 8.230 nan 0.000 0.482 1043 T N 0.918 115.557 114.554 0.143 0.000 2.770 1043 T HA 0.569 4.936 4.350 0.029 0.000 0.297 1043 T C 0.330 174.953 174.700 -0.128 0.000 0.997 1043 T CA 0.007 62.114 62.100 0.012 0.000 0.949 1043 T CB 0.393 69.261 68.868 0.001 0.000 0.941 1043 T HN 0.880 nan 8.240 nan 0.000 0.457 1044 S N 2.330 117.921 115.700 -0.182 0.000 2.584 1044 S HA 0.399 4.886 4.470 0.029 0.000 0.270 1044 S C 1.910 176.380 174.600 -0.216 0.000 1.346 1044 S CA -0.283 57.726 58.200 -0.318 0.000 1.018 1044 S CB 0.540 63.627 63.200 -0.189 0.000 0.899 1044 S HN 0.992 nan 8.310 nan 0.000 0.542 1045 K N 0.855 121.107 120.400 -0.246 0.000 2.362 1045 K HA 0.045 4.383 4.320 0.029 0.000 0.200 1045 K C 1.929 178.501 176.600 -0.046 0.000 1.046 1045 K CA 1.571 57.786 56.287 -0.119 0.000 0.952 1045 K CB -1.581 30.851 32.500 -0.114 0.000 0.753 1045 K HN 0.833 nan 8.250 nan 0.000 0.466 1046 E N 1.453 121.621 120.200 -0.053 0.000 2.299 1046 E HA -0.067 4.300 4.350 0.029 0.000 0.193 1046 E C 1.779 178.413 176.600 0.056 0.000 0.998 1046 E CA 0.770 57.172 56.400 0.004 0.000 0.851 1046 E CB -0.368 29.328 29.700 -0.008 0.000 0.795 1046 E HN 0.663 nan 8.360 nan 0.000 0.492 1047 D N 0.330 120.755 120.400 0.041 0.000 2.144 1047 D HA -0.068 4.590 4.640 0.029 0.000 0.199 1047 D C 1.907 178.351 176.300 0.240 0.000 0.984 1047 D CA 1.042 55.101 54.000 0.098 0.000 0.834 1047 D CB -0.079 40.743 40.800 0.037 0.000 0.955 1047 D HN 0.564 nan 8.370 nan 0.000 0.465 1048 I N 0.400 121.100 120.570 0.217 0.000 2.500 1048 I HA -0.127 4.060 4.170 0.029 0.000 0.252 1048 I C 1.940 178.207 176.117 0.251 0.000 1.142 1048 I CA 0.529 62.050 61.300 0.367 0.000 1.451 1048 I CB -0.137 37.997 38.000 0.223 0.000 1.093 1048 I HN -0.191 nan 8.210 nan 0.000 0.430 1049 E N 0.532 120.819 120.200 0.146 0.000 2.393 1049 E HA -0.270 4.097 4.350 0.029 0.000 0.201 1049 E C 1.719 178.361 176.600 0.070 0.000 1.025 1049 E CA 1.002 57.450 56.400 0.080 0.000 0.856 1049 E CB -0.359 29.378 29.700 0.062 0.000 0.771 1049 E HN 0.554 nan 8.360 nan 0.000 0.526 1050 Y N 0.278 120.583 120.300 0.008 0.000 2.089 1050 Y HA -0.167 4.401 4.550 0.029 0.000 0.282 1050 Y C 2.000 177.790 175.900 -0.183 0.000 1.139 1050 Y CA 1.724 59.794 58.100 -0.050 0.000 1.123 1050 Y CB -0.439 38.020 38.460 -0.001 0.000 0.980 1050 Y HN 0.094 nan 8.280 nan 0.000 0.493 1051 I N 0.652 120.874 120.570 -0.580 0.000 2.530 1051 I HA -0.307 3.881 4.170 0.029 0.000 0.257 1051 I C 2.692 178.505 176.117 -0.505 0.000 1.179 1051 I CA 1.290 62.097 61.300 -0.822 0.000 1.440 1051 I CB -0.361 37.010 38.000 -1.049 0.000 1.087 1051 I HN 0.349 nan 8.210 nan 0.000 0.440 1052 R N 0.933 121.244 120.500 -0.316 0.000 2.075 1052 R HA -0.204 4.153 4.340 0.029 0.000 0.230 1052 R C 1.839 178.003 176.300 -0.226 0.000 1.140 1052 R CA 2.326 58.303 56.100 -0.204 0.000 0.928 1052 R CB -0.408 29.826 30.300 -0.111 0.000 0.834 1052 R HN 0.399 nan 8.270 nan 0.000 0.429 1053 D N 0.331 120.596 120.400 -0.225 0.000 2.144 1053 D HA -0.145 4.512 4.640 0.029 0.000 0.199 1053 D C 1.760 177.914 176.300 -0.244 0.000 0.984 1053 D CA 1.373 55.260 54.000 -0.188 0.000 0.834 1053 D CB -0.110 40.640 40.800 -0.082 0.000 0.955 1053 D HN 0.462 nan 8.370 nan 0.000 0.465 1054 A N 0.830 123.371 122.820 -0.465 0.000 2.019 1054 A HA -0.082 4.256 4.320 0.029 0.000 0.219 1054 A C 2.222 179.737 177.584 -0.115 0.000 1.164 1054 A CA 0.750 52.486 52.037 -0.501 0.000 0.644 1054 A CB -0.460 17.802 19.000 -1.229 0.000 0.805 1054 A HN 0.190 nan 8.150 nan 0.000 0.449 1055 L N -0.650 120.464 121.223 -0.183 0.000 2.585 1055 L HA 0.033 4.390 4.340 0.029 0.000 0.226 1055 L C 0.188 177.002 176.870 -0.093 0.000 1.113 1055 L CA 0.593 55.377 54.840 -0.093 0.000 0.876 1055 L CB -0.200 41.744 42.059 -0.192 0.000 1.072 1055 L HN 0.466 nan 8.230 nan 0.000 0.468 1056 T N -0.596 113.851 114.554 -0.178 0.000 3.247 1056 T HA -0.138 4.229 4.350 0.029 0.000 0.434 1056 T C 0.033 174.650 174.700 -0.137 0.000 0.770 1056 T CA -0.223 61.741 62.100 -0.227 0.000 2.236 1056 T CB -2.355 66.337 68.868 -0.293 0.000 1.678 1056 T HN -0.016 nan 8.240 nan 0.000 0.645 1057 V N 2.172 122.014 119.914 -0.119 0.000 2.529 1057 V HA 0.463 4.600 4.120 0.029 0.000 0.292 1057 V C 1.802 177.861 176.094 -0.059 0.000 1.028 1057 V CA 1.607 63.857 62.300 -0.082 0.000 1.074 1057 V CB 0.415 32.196 31.823 -0.069 0.000 0.958 1057 V HN 1.438 nan 8.190 nan 0.000 0.481 1058 G N 4.786 113.561 108.800 -0.042 0.000 4.244 1058 G HA2 -0.185 3.793 3.960 0.029 0.000 0.222 1058 G HA3 -0.185 3.793 3.960 0.029 0.000 0.222 1058 G C 0.134 175.023 174.900 -0.018 0.000 1.665 1058 G CA -0.313 44.773 45.100 -0.024 0.000 1.315 1058 G HN 0.611 nan 8.290 nan 0.000 0.637 1059 K N 2.216 122.604 120.400 -0.021 0.000 2.578 1059 K HA 0.026 4.364 4.320 0.029 0.000 0.279 1059 K C 0.529 177.132 176.600 0.005 0.000 0.983 1059 K CA 0.353 56.637 56.287 -0.004 0.000 1.078 1059 K CB -0.040 32.457 32.500 -0.005 0.000 0.852 1059 K HN 0.628 nan 8.250 nan 0.000 0.490 1060 N N 1.632 120.342 118.700 0.018 0.000 2.260 1060 N HA -0.097 4.660 4.740 0.029 0.000 0.230 1060 N C 0.253 175.783 175.510 0.032 0.000 1.323 1060 N CA 0.225 53.289 53.050 0.023 0.000 0.897 1060 N CB 0.427 38.930 38.487 0.026 0.000 1.146 1060 N HN 0.453 nan 8.380 nan 0.000 0.460 1061 E N -0.457 119.763 120.200 0.033 0.000 2.520 1061 E HA -0.087 4.280 4.350 0.029 0.000 0.201 1061 E C 0.273 176.906 176.600 0.055 0.000 1.122 1061 E CA 0.214 56.636 56.400 0.037 0.000 0.896 1061 E CB 0.177 29.895 29.700 0.030 0.000 0.891 1061 E HN 0.459 nan 8.360 nan 0.000 0.533 1062 E N 1.096 121.329 120.200 0.056 0.000 2.068 1062 E HA -0.084 4.284 4.350 0.029 0.000 0.201 1062 E C 1.399 178.048 176.600 0.083 0.000 0.947 1062 E CA 0.640 57.076 56.400 0.061 0.000 0.909 1062 E CB -0.304 29.424 29.700 0.047 0.000 1.015 1062 E HN 0.310 nan 8.360 nan 0.000 0.484 1063 D N 0.884 121.332 120.400 0.080 0.000 2.390 1063 D HA -0.024 4.633 4.640 0.029 0.000 0.235 1063 D C 1.238 177.628 176.300 0.150 0.000 1.040 1063 D CA 0.547 54.610 54.000 0.104 0.000 0.923 1063 D CB 0.111 40.962 40.800 0.084 0.000 0.886 1063 D HN 0.072 nan 8.370 nan 0.000 0.532 1064 A N 1.798 124.706 122.820 0.147 0.000 1.901 1064 A HA -0.091 4.247 4.320 0.029 0.000 0.210 1064 A C 2.245 180.023 177.584 0.322 0.000 1.208 1064 A CA 1.053 53.217 52.037 0.212 0.000 0.644 1064 A CB -0.298 18.794 19.000 0.152 0.000 0.863 1064 A HN 0.288 nan 8.150 nan 0.000 0.454 1065 K N 0.301 120.838 120.400 0.229 0.000 2.097 1065 K HA -0.109 4.229 4.320 0.029 0.000 0.205 1065 K C 1.732 178.440 176.600 0.180 0.000 1.050 1065 K CA 1.702 58.108 56.287 0.198 0.000 0.938 1065 K CB -0.275 32.296 32.500 0.118 0.000 0.718 1065 K HN 0.290 nan 8.250 nan 0.000 0.442 1066 K N 0.125 120.616 120.400 0.153 0.000 2.057 1066 K HA -0.200 4.137 4.320 0.029 0.000 0.207 1066 K C 2.148 178.821 176.600 0.120 0.000 1.049 1066 K CA 1.780 58.136 56.287 0.114 0.000 0.931 1066 K CB -0.450 32.109 32.500 0.098 0.000 0.714 1066 K HN 0.262 nan 8.250 nan 0.000 0.440 1067 Y N 0.472 120.808 120.300 0.059 0.000 2.114 1067 Y HA -0.312 4.256 4.550 0.030 0.000 0.282 1067 Y C 1.971 177.862 175.900 -0.014 0.000 1.165 1067 Y CA 1.709 59.837 58.100 0.047 0.000 1.148 1067 Y CB -0.445 38.075 38.460 0.101 0.000 0.972 1067 Y HN 0.068 nan 8.280 nan 0.000 0.504 1068 F N 0.166 120.054 119.950 -0.102 0.000 2.186 1068 F HA -0.116 4.428 4.527 0.028 0.000 0.299 1068 F C 1.737 177.333 175.800 -0.340 0.000 1.090 1068 F CA 1.411 59.161 58.000 -0.416 0.000 1.307 1068 F CB -0.337 38.284 39.000 -0.633 0.000 1.019 1068 F HN 0.063 nan 8.300 nan 0.000 0.489 1069 L N -0.054 121.113 121.223 -0.093 0.000 2.376 1069 L HA -0.157 4.200 4.340 0.029 0.000 0.219 1069 L C 1.780 178.540 176.870 -0.183 0.000 1.133 1069 L CA 0.704 55.478 54.840 -0.110 0.000 0.816 1069 L CB -0.675 41.391 42.059 0.011 0.000 0.933 1069 L HN 0.061 nan 8.230 nan 0.000 0.449 1070 D N -0.434 119.826 120.400 -0.234 0.000 2.178 1070 D HA -0.148 4.509 4.640 0.029 0.000 0.202 1070 D C 2.242 178.350 176.300 -0.320 0.000 0.974 1070 D CA 0.823 54.684 54.000 -0.232 0.000 0.841 1070 D CB -0.010 40.652 40.800 -0.229 0.000 0.953 1070 D HN 0.360 nan 8.370 nan 0.000 0.478 1071 Q N 0.701 120.195 119.800 -0.509 0.000 2.020 1071 Q HA -0.071 4.287 4.340 0.029 0.000 0.202 1071 Q C 2.642 178.357 176.000 -0.475 0.000 0.982 1071 Q CA 0.587 56.052 55.803 -0.564 0.000 0.838 1071 Q CB -0.461 27.753 28.738 -0.873 0.000 0.899 1071 Q HN 0.402 nan 8.270 nan 0.000 0.423 1072 I N 1.358 121.678 120.570 -0.417 0.000 2.300 1072 I HA -0.267 3.921 4.170 0.029 0.000 0.252 1072 I C 2.172 178.216 176.117 -0.121 0.000 1.119 1072 I CA 1.257 62.450 61.300 -0.180 0.000 1.384 1072 I CB -0.427 37.571 38.000 -0.002 0.000 1.062 1072 I HN 0.231 nan 8.210 nan 0.000 0.426 1073 E N 0.574 120.699 120.200 -0.124 0.000 2.072 1073 E HA -0.107 4.260 4.350 0.029 0.000 0.190 1073 E C 2.455 178.976 176.600 -0.131 0.000 0.982 1073 E CA 0.896 57.249 56.400 -0.078 0.000 0.803 1073 E CB -0.228 29.437 29.700 -0.059 0.000 0.755 1073 E HN 0.331 nan 8.360 nan 0.000 0.453 1074 V N 1.143 120.946 119.914 -0.186 0.000 2.332 1074 V HA -0.304 3.833 4.120 0.029 0.000 0.248 1074 V C 2.514 178.482 176.094 -0.210 0.000 1.055 1074 V CA 1.745 63.935 62.300 -0.183 0.000 1.038 1074 V CB -0.722 30.982 31.823 -0.198 0.000 0.651 1074 V HN 0.313 nan 8.190 nan 0.000 0.450 1075 C N -0.397 118.727 119.300 -0.294 0.000 2.432 1075 C HA -0.053 4.424 4.460 0.029 0.000 0.282 1075 C C 2.750 177.599 174.990 -0.234 0.000 1.388 1075 C CA 0.495 59.321 59.018 -0.321 0.000 1.777 1075 C CB -1.348 26.093 27.740 -0.499 0.000 1.882 1075 C HN 0.503 nan 8.230 nan 0.000 0.520 1076 R N 0.684 121.081 120.500 -0.172 0.000 2.090 1076 R HA -0.017 4.341 4.340 0.029 0.000 0.219 1076 R C 1.093 177.318 176.300 -0.126 0.000 1.100 1076 R CA 0.841 56.858 56.100 -0.138 0.000 0.991 1076 R CB -0.304 29.943 30.300 -0.088 0.000 0.893 1076 R HN 0.449 nan 8.270 nan 0.000 0.443 1077 D N 0.541 120.875 120.400 -0.110 0.000 2.363 1077 D HA -0.038 4.619 4.640 0.029 0.000 0.226 1077 D C 1.044 177.292 176.300 -0.088 0.000 1.020 1077 D CA 0.921 54.869 54.000 -0.086 0.000 0.892 1077 D CB 0.370 41.127 40.800 -0.072 0.000 0.900 1077 D HN -0.035 nan 8.370 nan 0.000 0.531 1078 K N -0.648 119.680 120.400 -0.120 0.000 2.387 1078 K HA 0.247 4.585 4.320 0.029 0.000 0.197 1078 K C 1.396 177.919 176.600 -0.128 0.000 1.127 1078 K CA 0.653 56.870 56.287 -0.117 0.000 0.950 1078 K CB 0.337 32.749 32.500 -0.146 0.000 1.017 1078 K HN 0.068 nan 8.250 nan 0.000 0.519 1079 G N 0.803 109.484 108.800 -0.199 0.000 2.672 1079 G HA2 -0.352 3.625 3.960 0.029 0.000 0.332 1079 G HA3 -0.352 3.625 3.960 0.029 0.000 0.332 1079 G C 0.769 175.423 174.900 -0.411 0.000 1.213 1079 G CA 0.885 45.796 45.100 -0.315 0.000 0.980 1079 G HN 0.392 nan 8.290 nan 0.000 0.548 1080 W N 1.260 122.502 121.300 -0.096 0.000 3.211 1080 W HA 0.381 5.058 4.660 0.029 0.000 0.292 1080 W C 2.714 179.180 176.519 -0.088 0.000 1.268 1080 W CA 0.658 57.949 57.345 -0.091 0.000 1.702 1080 W CB -0.274 29.164 29.460 -0.037 0.000 1.092 1080 W HN 0.479 nan 8.180 nan 0.000 0.643 1081 T N 1.064 115.664 114.554 0.075 0.000 2.594 1081 T HA -0.297 4.070 4.350 0.029 0.000 0.266 1081 T C 1.854 176.534 174.700 -0.033 0.000 1.070 1081 T CA 2.240 64.354 62.100 0.023 0.000 1.166 1081 T CB -0.803 68.052 68.868 -0.022 0.000 0.862 1081 T HN -0.059 nan 8.240 nan 0.000 0.436 1082 V N 1.361 121.171 119.914 -0.173 0.000 2.358 1082 V HA -0.157 3.980 4.120 0.029 0.000 0.246 1082 V C 2.811 178.627 176.094 -0.463 0.000 1.047 1082 V CA 1.554 63.600 62.300 -0.423 0.000 1.035 1082 V CB -0.567 30.858 31.823 -0.663 0.000 0.658 1082 V HN 0.464 nan 8.190 nan 0.000 0.452 1083 Q N -0.772 118.879 119.800 -0.249 0.000 2.096 1083 Q HA -0.238 4.119 4.340 0.029 0.000 0.204 1083 Q C 2.264 178.398 176.000 0.224 0.000 0.982 1083 Q CA 2.452 58.256 55.803 0.002 0.000 0.850 1083 Q CB -0.679 28.142 28.738 0.139 0.000 0.901 1083 Q HN 0.749 nan 8.270 nan 0.000 0.422 1084 F N 1.204 121.279 119.950 0.208 0.000 2.146 1084 F HA -0.159 4.386 4.527 0.029 0.000 0.298 1084 F C 2.172 178.107 175.800 0.225 0.000 1.096 1084 F CA 1.675 59.818 58.000 0.239 0.000 1.275 1084 F CB -1.168 37.946 39.000 0.190 0.000 1.008 1084 F HN 0.236 nan 8.300 nan 0.000 0.480 1085 N N -1.272 117.552 118.700 0.206 0.000 2.223 1085 N HA -0.136 4.622 4.740 0.029 0.000 0.185 1085 N C 1.692 177.487 175.510 0.474 0.000 1.016 1085 N CA 1.429 54.647 53.050 0.281 0.000 0.863 1085 N CB -0.719 37.925 38.487 0.261 0.000 0.983 1085 N HN 0.763 nan 8.380 nan 0.000 0.429 1086 W N 0.138 121.470 121.300 0.053 0.000 2.363 1086 W HA -0.227 4.450 4.660 0.028 0.000 0.296 1086 W C 2.529 178.997 176.519 -0.085 0.000 1.212 1086 W CA 0.950 58.276 57.345 -0.032 0.000 1.260 1086 W CB -0.559 28.889 29.460 -0.020 0.000 1.131 1086 W HN 0.092 nan 8.180 nan 0.000 0.530 1087 F N 0.607 120.711 119.950 0.256 0.000 2.126 1087 F HA -0.044 4.500 4.527 0.029 0.000 0.299 1087 F C 1.138 176.990 175.800 0.087 0.000 1.096 1087 F CA 0.790 58.879 58.000 0.149 0.000 1.255 1087 F CB -1.358 37.766 39.000 0.206 0.000 0.997 1087 F HN -0.315 nan 8.300 nan 0.000 0.479 1088 L N 0.990 122.276 121.223 0.106 0.000 2.584 1088 L HA 0.443 4.800 4.340 0.029 0.000 0.272 1088 L C 0.432 177.313 176.870 0.019 0.000 1.195 1088 L CA 0.695 55.573 54.840 0.064 0.000 0.920 1088 L CB -1.219 40.886 42.059 0.076 0.000 1.173 1088 L HN 0.730 nan 8.230 nan 0.000 0.489 1089 H N 0.000 119.071 119.070 0.002 0.000 2.539 1089 H HA 0.000 4.573 4.556 0.029 0.000 0.296 1089 H CA 0.000 56.033 56.048 -0.024 0.000 1.023 1089 H CB 0.000 29.741 29.762 -0.035 0.000 1.292 1089 H HN 0.000 nan 8.280 nan 0.000 0.496