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 1djx_1_B DATA FIRST_RESID 158 DATA SEQUENCE NKMNFKELKD FLKELNIQVD DGYARKIFRE CDHSQTDSLE DEEIETFYKM DATA SEQUENCE LTQRAEIDRA FEEAAGSAET LSVERLVTFL QHQQREEEAG PALALSLIER DATA SEQUENCE YEPSETAKAQ RQMTKDGFLM YLLSADGNAF SLAHRRVYQD MDQPLSHYLV DATA SEQUENCE SSSHNTYLLE DQLTGPSSTE AYIRALCKGC RCLELDCWDG PNQEPIIYHG DATA SEQUENCE YTFTSKILFC DVLRAIRDYA FKASPYPVIL SLENHCSLEQ QRVMARHLRA DATA SEQUENCE ILGPILLDQP LDGVTTSLPS PEQLKGKILL KGKKLGGLXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXDKLK LVPELSDMII YCKSVHFGGF DATA SEQUENCE SSPGTSGQAF YEMASFSESR ALRLLQESGN GFVRHNVSCL SRIYPAGWRT DATA SEQUENCE DSSNYSPVEM WNGGCQIVAL NFQTPGPEMD VYLGCFQDNG GCGYVLKPAF DATA SEQUENCE LRDPNTTFNS RALTQGPWWR PERLRVRIIS GQQLPKVNKN KNSIVDPKVI DATA SEQUENCE VEIHGVGRDT GSRQTAVITN NGFNPRWDME FEFEVTVPDL ALVRFMVEDY DATA SEQUENCE DSSSKNDFIG QSTIPWNSLK QGYRHVHLLS KNGDQHPSAT LFVKISIQD 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 158 N HA 0.000 nan 4.740 nan 0.000 0.220 158 N C 0.000 175.500 175.510 -0.016 0.000 1.280 158 N CA 0.000 53.043 53.050 -0.012 0.000 0.885 158 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 159 K N 0.404 120.796 120.400 -0.014 0.000 2.587 159 K HA 0.356 4.676 4.320 0.000 0.000 0.256 159 K C -1.308 175.292 176.600 0.001 0.000 0.974 159 K CA -0.474 55.804 56.287 -0.014 0.000 0.855 159 K CB 1.800 34.295 32.500 -0.008 0.000 1.292 159 K HN 0.036 nan 8.250 nan 0.000 0.444 160 M N 2.367 121.964 119.600 -0.005 0.000 2.242 160 M HA 0.230 4.710 4.480 0.000 0.000 0.344 160 M C -0.501 175.892 176.300 0.155 0.000 1.140 160 M CA 0.226 55.540 55.300 0.023 0.000 1.160 160 M CB 0.595 33.165 32.600 -0.050 0.000 1.491 160 M HN 0.550 nan 8.290 nan 0.000 0.459 161 N N 1.838 120.596 118.700 0.095 0.000 2.370 161 N HA 0.191 4.931 4.740 0.000 0.000 0.303 161 N C 0.211 175.607 175.510 -0.190 0.000 1.103 161 N CA -0.419 52.700 53.050 0.114 0.000 0.848 161 N CB 1.093 39.611 38.487 0.052 0.000 1.235 161 N HN 0.688 nan 8.380 nan 0.000 0.496 162 F N 2.275 121.716 119.950 -0.849 0.000 2.192 162 F HA -0.295 4.233 4.527 0.000 0.000 0.300 162 F C 1.704 177.212 175.800 -0.487 0.000 1.051 162 F CA 1.856 59.186 58.000 -1.118 0.000 1.309 162 F CB 0.134 38.506 39.000 -1.047 0.000 1.056 162 F HN 0.454 nan 8.300 nan 0.000 0.505 163 K N 0.148 120.279 120.400 -0.448 0.000 2.007 163 K HA -0.142 4.178 4.320 0.000 0.000 0.206 163 K C 1.913 178.335 176.600 -0.296 0.000 1.047 163 K CA 1.574 57.627 56.287 -0.391 0.000 0.937 163 K CB -0.419 31.966 32.500 -0.193 0.000 0.718 163 K HN 0.452 nan 8.250 nan 0.000 0.438 164 E N 1.130 121.216 120.200 -0.189 0.000 2.409 164 E HA -0.135 4.216 4.350 0.000 0.000 0.198 164 E C 1.870 178.416 176.600 -0.090 0.000 1.024 164 E CA 0.547 56.887 56.400 -0.100 0.000 0.861 164 E CB 0.010 29.677 29.700 -0.055 0.000 0.788 164 E HN 0.171 nan 8.360 nan 0.000 0.521 165 L N 1.214 122.302 121.223 -0.224 0.000 2.062 165 L HA -0.028 4.312 4.340 0.000 0.000 0.202 165 L C 2.289 179.070 176.870 -0.148 0.000 1.079 165 L CA 1.137 55.851 54.840 -0.209 0.000 0.755 165 L CB -0.725 41.096 42.059 -0.397 0.000 0.913 165 L HN 0.018 nan 8.230 nan 0.000 0.445 166 K N 0.311 120.460 120.400 -0.417 0.000 2.173 166 K HA -0.232 4.088 4.320 0.000 0.000 0.207 166 K C 1.575 178.081 176.600 -0.157 0.000 1.046 166 K CA 1.358 57.434 56.287 -0.352 0.000 0.929 166 K CB -0.388 31.748 32.500 -0.607 0.000 0.720 166 K HN 0.354 nan 8.250 nan 0.000 0.453 167 D N -0.441 119.879 120.400 -0.133 0.000 2.098 167 D HA -0.170 4.470 4.640 0.000 0.000 0.207 167 D C 1.746 178.064 176.300 0.031 0.000 0.979 167 D CA 1.304 55.275 54.000 -0.049 0.000 0.878 167 D CB -0.379 40.401 40.800 -0.034 0.000 1.028 167 D HN 0.095 nan 8.370 nan 0.000 0.452 168 F N 0.846 120.756 119.950 -0.067 0.000 2.101 168 F HA -0.309 4.218 4.527 0.000 0.000 0.298 168 F C 1.943 177.750 175.800 0.012 0.000 1.076 168 F CA 1.557 59.544 58.000 -0.021 0.000 1.248 168 F CB -0.295 38.701 39.000 -0.007 0.000 0.999 168 F HN 0.077 nan 8.300 nan 0.000 0.488 169 L N 0.247 121.561 121.223 0.151 0.000 1.955 169 L HA -0.293 4.048 4.340 0.000 0.000 0.213 169 L C 2.472 179.288 176.870 -0.089 0.000 1.072 169 L CA 2.455 57.327 54.840 0.053 0.000 0.755 169 L CB -1.144 40.975 42.059 0.100 0.000 0.888 169 L HN 0.192 nan 8.230 nan 0.000 0.432 170 K N 0.579 120.941 120.400 -0.065 0.000 2.107 170 K HA -0.289 4.031 4.320 0.000 0.000 0.211 170 K C 1.761 178.304 176.600 -0.096 0.000 1.049 170 K CA 2.061 58.306 56.287 -0.069 0.000 0.927 170 K CB -0.562 31.906 32.500 -0.054 0.000 0.714 170 K HN 0.447 nan 8.250 nan 0.000 0.452 171 E N 1.775 121.891 120.200 -0.140 0.000 2.233 171 E HA -0.225 4.125 4.350 0.000 0.000 0.199 171 E C 1.100 177.599 176.600 -0.168 0.000 1.004 171 E CA 1.479 57.778 56.400 -0.168 0.000 0.819 171 E CB -0.193 29.363 29.700 -0.241 0.000 0.738 171 E HN 0.451 nan 8.360 nan 0.000 0.478 172 L N -0.653 120.459 121.223 -0.185 0.000 2.910 172 L HA 0.442 4.782 4.340 0.000 0.000 0.252 172 L C 0.257 177.100 176.870 -0.044 0.000 1.195 172 L CA -0.167 54.604 54.840 -0.116 0.000 1.003 172 L CB 0.032 42.013 42.059 -0.129 0.000 1.328 172 L HN -0.025 nan 8.230 nan 0.000 0.540 173 N N -0.234 118.437 118.700 -0.048 0.000 2.965 173 N HA -0.196 4.544 4.740 0.000 0.000 0.232 173 N C 0.139 175.645 175.510 -0.007 0.000 0.913 173 N CA 0.765 53.807 53.050 -0.014 0.000 0.981 173 N CB -1.044 37.451 38.487 0.014 0.000 1.077 173 N HN 0.371 nan 8.380 nan 0.000 0.589 174 I N 1.268 121.804 120.570 -0.057 0.000 2.705 174 I HA -0.063 4.107 4.170 0.000 0.000 0.291 174 I C 0.954 176.986 176.117 -0.141 0.000 1.146 174 I CA 0.392 61.582 61.300 -0.183 0.000 1.383 174 I CB -0.073 37.721 38.000 -0.343 0.000 1.454 174 I HN 0.119 nan 8.210 nan 0.000 0.581 175 Q N 6.275 126.040 119.800 -0.058 0.000 2.318 175 Q HA 0.051 4.392 4.340 0.000 0.000 0.270 175 Q C -0.352 175.613 176.000 -0.058 0.000 1.237 175 Q CA 0.053 55.841 55.803 -0.025 0.000 0.937 175 Q CB 0.008 28.758 28.738 0.021 0.000 1.375 175 Q HN 0.471 nan 8.270 nan 0.000 0.452 176 V N 4.715 124.601 119.914 -0.047 0.000 2.539 176 V HA -0.140 3.980 4.120 0.000 0.000 0.300 176 V C 0.428 176.543 176.094 0.035 0.000 1.019 176 V CA -0.132 62.162 62.300 -0.009 0.000 1.160 176 V CB -0.256 31.576 31.823 0.014 0.000 0.901 176 V HN 0.586 nan 8.190 nan 0.000 0.481 177 D N 3.745 124.181 120.400 0.061 0.000 2.368 177 D HA 0.192 4.832 4.640 0.000 0.000 0.240 177 D C 0.241 176.638 176.300 0.161 0.000 1.169 177 D CA -0.316 53.735 54.000 0.086 0.000 0.906 177 D CB 0.292 41.109 40.800 0.028 0.000 1.187 177 D HN 0.775 nan 8.370 nan 0.000 0.435 178 D N -0.966 119.512 120.400 0.129 0.000 2.354 178 D HA 0.151 4.791 4.640 0.000 0.000 0.238 178 D C 1.085 177.501 176.300 0.194 0.000 1.250 178 D CA -0.518 53.564 54.000 0.138 0.000 0.911 178 D CB -0.166 40.692 40.800 0.095 0.000 1.163 178 D HN 0.437 nan 8.370 nan 0.000 0.456 179 G N -0.056 108.838 108.800 0.155 0.000 2.023 179 G HA2 -0.166 3.794 3.960 0.000 0.000 0.273 179 G HA3 -0.166 3.794 3.960 0.000 0.000 0.273 179 G C 0.013 174.995 174.900 0.136 0.000 0.590 179 G CA 1.200 46.365 45.100 0.108 0.000 1.292 179 G HN 0.695 nan 8.290 nan 0.000 0.445 180 Y N -0.560 119.781 120.300 0.069 0.000 2.965 180 Y HA 0.416 4.966 4.550 0.000 0.000 0.242 180 Y C 2.269 178.246 175.900 0.129 0.000 1.078 180 Y CA 0.953 59.092 58.100 0.066 0.000 1.288 180 Y CB -0.282 38.209 38.460 0.051 0.000 1.459 180 Y HN 0.251 nan 8.280 nan 0.000 0.438 181 A N 1.569 124.561 122.820 0.287 0.000 1.978 181 A HA -0.160 4.160 4.320 0.000 0.000 0.220 181 A C 2.244 180.039 177.584 0.351 0.000 1.170 181 A CA 1.899 54.165 52.037 0.381 0.000 0.636 181 A CB -0.651 18.642 19.000 0.487 0.000 0.810 181 A HN 0.473 nan 8.150 nan 0.000 0.448 182 R N -0.237 120.323 120.500 0.100 0.000 2.140 182 R HA -0.036 4.305 4.340 0.000 0.000 0.213 182 R C 2.206 178.451 176.300 -0.092 0.000 1.059 182 R CA 1.325 57.264 56.100 -0.269 0.000 1.000 182 R CB -0.235 29.513 30.300 -0.920 0.000 0.910 182 R HN 0.670 nan 8.270 nan 0.000 0.455 183 K N 0.441 120.773 120.400 -0.113 0.000 2.002 183 K HA -0.145 4.175 4.320 0.000 0.000 0.209 183 K C 1.858 178.395 176.600 -0.104 0.000 1.048 183 K CA 1.500 57.713 56.287 -0.123 0.000 0.930 183 K CB -0.188 32.215 32.500 -0.161 0.000 0.714 183 K HN -0.021 nan 8.250 nan 0.000 0.438 184 I N 0.986 121.450 120.570 -0.177 0.000 2.361 184 I HA -0.153 4.017 4.170 0.000 0.000 0.251 184 I C 1.998 178.249 176.117 0.224 0.000 1.133 184 I CA 0.820 62.061 61.300 -0.098 0.000 1.413 184 I CB -0.493 37.305 38.000 -0.338 0.000 1.073 184 I HN 0.239 nan 8.210 nan 0.000 0.424 185 F N 1.241 121.303 119.950 0.186 0.000 2.075 185 F HA -0.246 4.281 4.527 0.000 0.000 0.297 185 F C 2.668 178.458 175.800 -0.016 0.000 1.113 185 F CA 1.616 59.673 58.000 0.096 0.000 1.218 185 F CB -0.295 38.683 39.000 -0.037 0.000 0.984 185 F HN -0.140 nan 8.300 nan 0.000 0.472 186 R N 0.682 121.204 120.500 0.038 0.000 2.091 186 R HA -0.148 4.193 4.340 0.000 0.000 0.238 186 R C 2.199 178.407 176.300 -0.153 0.000 1.136 186 R CA 1.891 57.942 56.100 -0.081 0.000 0.959 186 R CB -0.512 29.767 30.300 -0.035 0.000 0.856 186 R HN 0.423 nan 8.270 nan 0.000 0.437 187 E N -1.046 119.082 120.200 -0.119 0.000 2.204 187 E HA -0.190 4.161 4.350 0.000 0.000 0.195 187 E C 1.567 178.040 176.600 -0.212 0.000 0.990 187 E CA 1.156 57.469 56.400 -0.145 0.000 0.821 187 E CB -0.011 29.625 29.700 -0.108 0.000 0.750 187 E HN 0.386 nan 8.360 nan 0.000 0.477 188 C N 0.725 119.907 119.300 -0.196 0.000 2.594 188 C HA 0.013 4.473 4.460 0.000 0.000 0.265 188 C C 0.998 175.801 174.990 -0.313 0.000 1.351 188 C CA -0.483 58.406 59.018 -0.215 0.000 1.744 188 C CB -0.718 26.977 27.740 -0.074 0.000 1.890 188 C HN 0.286 nan 8.230 nan 0.000 0.551 189 D N -0.520 119.664 120.400 -0.360 0.000 2.468 189 D HA 0.128 4.768 4.640 0.000 0.000 0.218 189 D C 0.892 177.069 176.300 -0.205 0.000 1.155 189 D CA 0.073 53.893 54.000 -0.301 0.000 0.924 189 D CB 0.094 40.670 40.800 -0.373 0.000 1.029 189 D HN 0.426 nan 8.370 nan 0.000 0.515 190 H N 0.692 119.700 119.070 -0.104 0.000 2.357 190 H HA -0.103 4.453 4.556 0.000 0.000 0.301 190 H C 2.192 177.485 175.328 -0.059 0.000 1.082 190 H CA 1.761 57.768 56.048 -0.069 0.000 1.342 190 H CB 0.295 30.024 29.762 -0.056 0.000 1.389 190 H HN 0.433 nan 8.280 nan 0.000 0.511 191 S N 0.009 115.748 115.700 0.066 0.000 2.442 191 S HA -0.197 4.274 4.470 0.000 0.000 0.236 191 S C 0.949 175.549 174.600 0.000 0.000 1.007 191 S CA 0.960 59.173 58.200 0.022 0.000 0.965 191 S CB 0.082 63.285 63.200 0.004 0.000 0.773 191 S HN 0.439 nan 8.310 nan 0.000 0.504 192 Q N -0.212 119.575 119.800 -0.021 0.000 2.424 192 Q HA -0.159 4.181 4.340 0.000 0.000 0.234 192 Q C 1.078 177.072 176.000 -0.010 0.000 0.748 192 Q CA 1.557 57.345 55.803 -0.024 0.000 1.286 192 Q CB -3.173 25.556 28.738 -0.013 0.000 1.494 192 Q HN 0.969 nan 8.270 nan 0.000 0.683 193 T N -3.277 111.272 114.554 -0.008 0.000 3.148 193 T HA 0.141 4.491 4.350 0.000 0.000 0.253 193 T C 0.488 175.213 174.700 0.041 0.000 1.134 193 T CA 0.702 62.809 62.100 0.011 0.000 1.051 193 T CB 0.137 69.009 68.868 0.007 0.000 0.959 193 T HN 0.144 nan 8.240 nan 0.000 0.525 194 D N 0.274 120.705 120.400 0.051 0.000 2.911 194 D HA -0.122 4.518 4.640 0.000 0.000 0.227 194 D C -0.785 175.687 176.300 0.287 0.000 1.164 194 D CA 0.796 54.912 54.000 0.192 0.000 0.782 194 D CB -1.560 39.341 40.800 0.169 0.000 1.094 194 D HN 0.533 nan 8.370 nan 0.000 0.425 195 S N -0.275 115.491 115.700 0.111 0.000 2.557 195 S HA 0.565 5.035 4.470 0.000 0.000 0.291 195 S C -0.099 174.462 174.600 -0.065 0.000 1.116 195 S CA -0.752 57.516 58.200 0.113 0.000 0.992 195 S CB 1.983 65.215 63.200 0.052 0.000 1.028 195 S HN 0.162 nan 8.310 nan 0.000 0.484 196 L N 3.273 124.454 121.223 -0.070 0.000 2.255 196 L HA 0.417 4.757 4.340 0.000 0.000 0.289 196 L C -0.066 176.748 176.870 -0.093 0.000 1.046 196 L CA -0.580 54.134 54.840 -0.211 0.000 0.816 196 L CB 0.984 42.827 42.059 -0.360 0.000 1.197 196 L HN 0.588 nan 8.230 nan 0.000 0.427 197 E N 1.693 121.846 120.200 -0.078 0.000 2.371 197 E HA 0.009 4.359 4.350 0.000 0.000 0.257 197 E C 0.471 177.047 176.600 -0.040 0.000 1.134 197 E CA -0.251 56.123 56.400 -0.043 0.000 0.919 197 E CB 0.677 30.360 29.700 -0.029 0.000 1.025 197 E HN 0.436 nan 8.360 nan 0.000 0.438 198 D N 1.481 121.863 120.400 -0.031 0.000 2.958 198 D HA -0.348 4.292 4.640 0.000 0.000 0.309 198 D C 1.606 177.896 176.300 -0.017 0.000 1.093 198 D CA 2.298 56.282 54.000 -0.027 0.000 1.071 198 D CB -0.072 40.716 40.800 -0.020 0.000 1.220 198 D HN 0.738 nan 8.370 nan 0.000 0.496 199 E N 0.578 120.775 120.200 -0.005 0.000 2.097 199 E HA -0.273 4.077 4.350 0.000 0.000 0.196 199 E C 1.866 178.486 176.600 0.032 0.000 1.000 199 E CA 1.740 58.147 56.400 0.012 0.000 0.804 199 E CB -0.437 29.268 29.700 0.009 0.000 0.740 199 E HN 0.619 nan 8.360 nan 0.000 0.454 200 E N 0.962 121.179 120.200 0.028 0.000 2.160 200 E HA -0.173 4.178 4.350 0.000 0.000 0.195 200 E C 2.424 179.056 176.600 0.053 0.000 0.991 200 E CA 1.261 57.682 56.400 0.035 0.000 0.810 200 E CB -0.290 29.405 29.700 -0.009 0.000 0.742 200 E HN 0.432 nan 8.360 nan 0.000 0.466 201 I N 1.437 122.018 120.570 0.019 0.000 2.163 201 I HA -0.251 3.919 4.170 0.000 0.000 0.243 201 I C 2.253 178.466 176.117 0.159 0.000 1.085 201 I CA 1.485 62.808 61.300 0.039 0.000 1.347 201 I CB -0.820 37.142 38.000 -0.064 0.000 1.044 201 I HN 0.116 nan 8.210 nan 0.000 0.408 202 E N 1.043 121.304 120.200 0.101 0.000 2.033 202 E HA -0.202 4.148 4.350 0.000 0.000 0.199 202 E C 2.155 178.866 176.600 0.184 0.000 1.011 202 E CA 2.489 58.972 56.400 0.139 0.000 0.815 202 E CB -0.209 29.539 29.700 0.081 0.000 0.755 202 E HN 0.375 nan 8.360 nan 0.000 0.451 203 T N 0.703 115.333 114.554 0.127 0.000 2.685 203 T HA -0.239 4.111 4.350 0.000 0.000 0.268 203 T C 1.493 176.250 174.700 0.094 0.000 1.034 203 T CA 1.533 63.689 62.100 0.093 0.000 1.149 203 T CB -0.470 68.441 68.868 0.070 0.000 0.860 203 T HN 0.211 nan 8.240 nan 0.000 0.449 204 F N 0.893 120.862 119.950 0.031 0.000 2.051 204 F HA -0.160 4.367 4.527 0.000 0.000 0.296 204 F C 2.214 178.075 175.800 0.103 0.000 1.122 204 F CA 1.306 59.330 58.000 0.040 0.000 1.201 204 F CB -0.751 38.270 39.000 0.036 0.000 0.978 204 F HN 0.197 nan 8.300 nan 0.000 0.472 205 Y N 1.631 121.973 120.300 0.070 0.000 2.207 205 Y HA -0.220 4.330 4.550 0.001 0.000 0.287 205 Y C 2.183 178.049 175.900 -0.057 0.000 1.156 205 Y CA 2.207 60.323 58.100 0.027 0.000 1.182 205 Y CB -0.472 38.111 38.460 0.205 0.000 0.979 205 Y HN 0.112 nan 8.280 nan 0.000 0.521 206 K N -0.307 120.071 120.400 -0.037 0.000 2.025 206 K HA -0.159 4.161 4.320 0.000 0.000 0.207 206 K C 2.148 178.646 176.600 -0.170 0.000 1.049 206 K CA 1.802 58.029 56.287 -0.100 0.000 0.933 206 K CB -0.345 32.175 32.500 0.034 0.000 0.714 206 K HN 0.362 nan 8.250 nan 0.000 0.438 207 M N 0.896 120.397 119.600 -0.166 0.000 2.346 207 M HA -0.167 4.313 4.480 0.000 0.000 0.263 207 M C 2.233 178.434 176.300 -0.165 0.000 1.064 207 M CA 1.179 56.388 55.300 -0.151 0.000 1.083 207 M CB -0.218 32.279 32.600 -0.172 0.000 1.399 207 M HN 0.190 nan 8.290 nan 0.000 0.435 208 L N -0.407 120.632 121.223 -0.306 0.000 2.102 208 L HA -0.052 4.288 4.340 0.000 0.000 0.202 208 L C 2.420 179.226 176.870 -0.108 0.000 1.076 208 L CA 1.652 56.349 54.840 -0.238 0.000 0.761 208 L CB -0.281 41.503 42.059 -0.459 0.000 0.921 208 L HN 0.278 nan 8.230 nan 0.000 0.444 209 T N -2.734 111.657 114.554 -0.271 0.000 3.086 209 T HA 0.018 4.368 4.350 0.000 0.000 0.250 209 T C 0.902 175.533 174.700 -0.115 0.000 1.074 209 T CA -0.223 61.782 62.100 -0.158 0.000 0.988 209 T CB -0.380 68.228 68.868 -0.434 0.000 0.988 209 T HN 0.507 nan 8.240 nan 0.000 0.530 210 Q N 1.715 121.448 119.800 -0.112 0.000 2.311 210 Q HA 0.101 4.441 4.340 0.000 0.000 0.272 210 Q C -0.687 175.265 176.000 -0.080 0.000 1.012 210 Q CA -0.186 55.568 55.803 -0.083 0.000 0.891 210 Q CB 0.477 29.177 28.738 -0.064 0.000 1.201 210 Q HN 0.365 nan 8.270 nan 0.000 0.391 211 R N 3.487 123.932 120.500 -0.092 0.000 2.332 211 R HA 0.266 4.606 4.340 0.000 0.000 0.306 211 R C 0.622 176.878 176.300 -0.074 0.000 1.117 211 R CA 0.167 56.204 56.100 -0.106 0.000 1.108 211 R CB 0.923 31.126 30.300 -0.161 0.000 1.126 211 R HN 0.870 nan 8.270 nan 0.000 0.548 212 A N 2.985 125.779 122.820 -0.044 0.000 1.917 212 A HA -0.255 4.066 4.320 0.000 0.000 0.219 212 A C 2.024 179.610 177.584 0.005 0.000 1.182 212 A CA 1.833 53.862 52.037 -0.014 0.000 0.633 212 A CB -0.194 18.804 19.000 -0.003 0.000 0.819 212 A HN 0.781 nan 8.150 nan 0.000 0.448 213 E N 0.120 120.326 120.200 0.010 0.000 2.160 213 E HA -0.197 4.153 4.350 0.000 0.000 0.195 213 E C 1.829 178.441 176.600 0.020 0.000 0.991 213 E CA 1.502 57.941 56.400 0.065 0.000 0.810 213 E CB -0.483 29.306 29.700 0.147 0.000 0.742 213 E HN 0.542 nan 8.360 nan 0.000 0.466 214 I N 2.009 122.531 120.570 -0.079 0.000 2.353 214 I HA -0.162 4.008 4.170 0.000 0.000 0.248 214 I C 1.771 177.933 176.117 0.075 0.000 1.119 214 I CA 1.070 62.330 61.300 -0.067 0.000 1.417 214 I CB -0.913 36.992 38.000 -0.158 0.000 1.078 214 I HN 0.040 nan 8.210 nan 0.000 0.421 215 D N 0.715 121.133 120.400 0.030 0.000 2.092 215 D HA -0.209 4.431 4.640 0.000 0.000 0.193 215 D C 2.253 178.601 176.300 0.080 0.000 0.994 215 D CA 1.199 55.230 54.000 0.051 0.000 0.828 215 D CB -0.249 40.562 40.800 0.017 0.000 0.963 215 D HN 0.208 nan 8.370 nan 0.000 0.450 216 R N 0.573 121.108 120.500 0.058 0.000 2.083 216 R HA -0.132 4.208 4.340 0.000 0.000 0.237 216 R C 2.151 178.479 176.300 0.048 0.000 1.137 216 R CA 1.650 57.783 56.100 0.054 0.000 0.951 216 R CB -0.228 30.110 30.300 0.064 0.000 0.851 216 R HN 0.120 nan 8.270 nan 0.000 0.434 217 A N 0.313 123.165 122.820 0.052 0.000 1.908 217 A HA -0.207 4.113 4.320 0.000 0.000 0.218 217 A C 2.012 179.561 177.584 -0.058 0.000 1.181 217 A CA 1.418 53.470 52.037 0.025 0.000 0.627 217 A CB -0.842 18.111 19.000 -0.080 0.000 0.818 217 A HN 0.525 nan 8.150 nan 0.000 0.445 218 F N 1.439 121.222 119.950 -0.279 0.000 2.095 218 F HA -0.214 4.313 4.527 0.000 0.000 0.298 218 F C 2.486 178.017 175.800 -0.448 0.000 1.104 218 F CA 2.171 59.708 58.000 -0.772 0.000 1.232 218 F CB -0.420 38.241 39.000 -0.566 0.000 0.987 218 F HN 0.562 nan 8.300 nan 0.000 0.475 219 E N 0.047 120.145 120.200 -0.170 0.000 2.058 219 E HA -0.263 4.087 4.350 0.000 0.000 0.194 219 E C 1.892 178.368 176.600 -0.206 0.000 0.997 219 E CA 1.758 58.046 56.400 -0.187 0.000 0.801 219 E CB -0.944 28.738 29.700 -0.028 0.000 0.746 219 E HN 0.591 nan 8.360 nan 0.000 0.450 220 E N 0.583 120.717 120.200 -0.110 0.000 2.209 220 E HA -0.194 4.156 4.350 0.000 0.000 0.196 220 E C 2.040 178.594 176.600 -0.076 0.000 0.993 220 E CA 1.086 57.463 56.400 -0.039 0.000 0.819 220 E CB -0.094 29.648 29.700 0.071 0.000 0.745 220 E HN 0.501 nan 8.360 nan 0.000 0.477 221 A N 1.158 123.848 122.820 -0.216 0.000 1.878 221 A HA 0.139 4.459 4.320 0.000 0.000 0.213 221 A C 2.278 179.642 177.584 -0.367 0.000 1.192 221 A CA 1.173 53.059 52.037 -0.252 0.000 0.619 221 A CB -0.158 18.549 19.000 -0.488 0.000 0.837 221 A HN 0.246 nan 8.150 nan 0.000 0.446 222 A N -1.542 120.910 122.820 -0.614 0.000 2.132 222 A HA 0.448 4.768 4.320 0.000 0.000 0.213 222 A C 1.814 179.223 177.584 -0.292 0.000 1.154 222 A CA 1.408 53.120 52.037 -0.542 0.000 0.753 222 A CB -0.995 17.470 19.000 -0.892 0.000 0.826 222 A HN 1.939 nan 8.150 nan 0.000 0.469 223 G N -0.128 108.533 108.800 -0.232 0.000 2.531 223 G HA2 -0.366 3.594 3.960 0.000 0.000 0.274 223 G HA3 -0.366 3.594 3.960 0.000 0.000 0.274 223 G C 1.395 176.232 174.900 -0.106 0.000 1.159 223 G CA 1.429 46.450 45.100 -0.132 0.000 0.969 223 G HN 1.344 nan 8.290 nan 0.000 0.554 224 S N 0.931 116.588 115.700 -0.072 0.000 2.368 224 S HA 0.345 4.815 4.470 0.000 0.000 0.225 224 S C 1.880 176.455 174.600 -0.043 0.000 1.030 224 S CA 1.990 60.162 58.200 -0.047 0.000 0.999 224 S CB -0.814 62.365 63.200 -0.035 0.000 0.844 224 S HN 2.312 nan 8.310 nan 0.000 0.459 225 A N 1.594 124.379 122.820 -0.058 0.000 2.521 225 A HA 0.144 4.464 4.320 0.000 0.000 0.237 225 A C 0.912 178.487 177.584 -0.014 0.000 1.087 225 A CA 0.145 52.157 52.037 -0.041 0.000 0.777 225 A CB -0.032 18.932 19.000 -0.060 0.000 1.035 225 A HN 0.533 nan 8.150 nan 0.000 0.510 226 E N -1.013 119.209 120.200 0.036 0.000 2.476 226 E HA 0.114 4.465 4.350 0.000 0.000 0.196 226 E C 0.072 176.796 176.600 0.207 0.000 1.029 226 E CA 0.639 57.107 56.400 0.114 0.000 0.896 226 E CB 0.310 30.052 29.700 0.069 0.000 1.012 226 E HN 0.849 nan 8.360 nan 0.000 0.475 227 T N -2.901 111.729 114.554 0.127 0.000 2.843 227 T HA 0.482 4.833 4.350 0.000 0.000 0.302 227 T C -0.796 173.904 174.700 0.001 0.000 1.232 227 T CA -0.835 61.371 62.100 0.175 0.000 1.009 227 T CB 1.353 70.285 68.868 0.108 0.000 1.254 227 T HN -0.083 nan 8.240 nan 0.000 0.504 228 L N 2.874 124.108 121.223 0.017 0.000 2.282 228 L HA 0.563 4.904 4.340 0.000 0.000 0.288 228 L C 0.760 177.614 176.870 -0.026 0.000 1.033 228 L CA -0.746 54.029 54.840 -0.109 0.000 0.807 228 L CB 1.743 43.716 42.059 -0.143 0.000 1.209 228 L HN 1.041 nan 8.230 nan 0.000 0.423 229 S N 2.085 117.760 115.700 -0.041 0.000 2.632 229 S HA 0.234 4.704 4.470 0.000 0.000 0.271 229 S C 1.191 175.789 174.600 -0.004 0.000 1.260 229 S CA -0.937 57.255 58.200 -0.013 0.000 1.010 229 S CB 1.823 65.011 63.200 -0.019 0.000 0.965 229 S HN 0.329 nan 8.310 nan 0.000 0.534 230 V N 1.880 121.799 119.914 0.008 0.000 2.317 230 V HA -0.236 3.884 4.120 0.000 0.000 0.251 230 V C 2.439 178.544 176.094 0.018 0.000 1.065 230 V CA 2.559 64.869 62.300 0.016 0.000 1.049 230 V CB -1.274 30.559 31.823 0.016 0.000 0.651 230 V HN 0.917 nan 8.190 nan 0.000 0.450 231 E N -0.573 119.633 120.200 0.010 0.000 2.208 231 E HA -0.091 4.259 4.350 0.000 0.000 0.193 231 E C 2.355 178.964 176.600 0.016 0.000 0.988 231 E CA 0.591 56.998 56.400 0.012 0.000 0.828 231 E CB -0.245 29.457 29.700 0.003 0.000 0.763 231 E HN 0.459 nan 8.360 nan 0.000 0.478 232 R N 0.089 120.588 120.500 -0.002 0.000 2.073 232 R HA -0.013 4.327 4.340 0.000 0.000 0.229 232 R C 2.259 178.583 176.300 0.040 0.000 1.120 232 R CA 0.696 56.789 56.100 -0.011 0.000 0.967 232 R CB -0.541 29.712 30.300 -0.079 0.000 0.862 232 R HN 0.199 nan 8.270 nan 0.000 0.436 233 L N 0.982 122.227 121.223 0.038 0.000 2.017 233 L HA -0.122 4.218 4.340 0.000 0.000 0.208 233 L C 2.180 179.145 176.870 0.158 0.000 1.073 233 L CA 1.532 56.431 54.840 0.097 0.000 0.745 233 L CB -0.555 41.537 42.059 0.055 0.000 0.894 233 L HN -0.145 nan 8.230 nan 0.000 0.432 234 V N -0.518 119.453 119.914 0.094 0.000 2.392 234 V HA -0.314 3.806 4.120 0.000 0.000 0.249 234 V C 2.481 178.638 176.094 0.105 0.000 1.059 234 V CA 2.224 64.575 62.300 0.085 0.000 1.051 234 V CB -0.871 30.982 31.823 0.050 0.000 0.658 234 V HN 0.582 nan 8.190 nan 0.000 0.455 235 T N -0.183 114.437 114.554 0.110 0.000 2.777 235 T HA -0.176 4.175 4.350 0.000 0.000 0.266 235 T C 1.645 176.462 174.700 0.196 0.000 1.040 235 T CA 1.805 63.974 62.100 0.115 0.000 1.141 235 T CB -0.362 68.551 68.868 0.074 0.000 0.868 235 T HN 0.488 nan 8.240 nan 0.000 0.444 236 F N 1.933 121.936 119.950 0.090 0.000 2.102 236 F HA -0.027 4.500 4.527 0.000 0.000 0.298 236 F C 1.889 177.783 175.800 0.157 0.000 1.105 236 F CA 1.077 59.169 58.000 0.153 0.000 1.239 236 F CB -0.597 38.502 39.000 0.165 0.000 0.991 236 F HN 0.036 nan 8.300 nan 0.000 0.474 237 L N -0.108 121.205 121.223 0.150 0.000 2.129 237 L HA -0.270 4.070 4.340 0.000 0.000 0.212 237 L C 2.360 179.199 176.870 -0.051 0.000 1.087 237 L CA 1.746 56.597 54.840 0.019 0.000 0.757 237 L CB -0.699 41.412 42.059 0.086 0.000 0.896 237 L HN 0.344 nan 8.230 nan 0.000 0.434 238 Q N -1.903 117.896 119.800 -0.002 0.000 2.200 238 Q HA -0.128 4.212 4.340 0.000 0.000 0.197 238 Q C 2.011 178.003 176.000 -0.014 0.000 0.953 238 Q CA 0.832 56.633 55.803 -0.004 0.000 0.851 238 Q CB -0.110 28.649 28.738 0.036 0.000 0.938 238 Q HN 0.464 nan 8.270 nan 0.000 0.488 239 H N 0.685 119.711 119.070 -0.074 0.000 2.372 239 H HA 0.007 4.563 4.556 0.000 0.000 0.301 239 H C 1.967 177.218 175.328 -0.128 0.000 1.065 239 H CA 1.507 57.513 56.048 -0.070 0.000 1.364 239 H CB 0.477 30.227 29.762 -0.019 0.000 1.406 239 H HN 0.043 nan 8.280 nan 0.000 0.521 240 Q N -0.226 119.379 119.800 -0.325 0.000 2.159 240 Q HA 0.011 4.352 4.340 0.000 0.000 0.194 240 Q C 2.000 177.729 176.000 -0.453 0.000 0.968 240 Q CA 0.738 56.261 55.803 -0.468 0.000 0.837 240 Q CB 0.047 28.437 28.738 -0.580 0.000 0.920 240 Q HN 0.555 nan 8.270 nan 0.000 0.485 241 Q N 0.913 120.422 119.800 -0.484 0.000 2.472 241 Q HA 0.037 4.377 4.340 0.000 0.000 0.208 241 Q C -0.056 175.832 176.000 -0.186 0.000 0.958 241 Q CA 0.096 55.732 55.803 -0.277 0.000 0.932 241 Q CB 0.033 28.672 28.738 -0.164 0.000 1.007 241 Q HN 0.381 nan 8.270 nan 0.000 0.508 242 R N 1.264 121.652 120.500 -0.186 0.000 3.484 242 R HA -0.145 4.196 4.340 0.000 0.000 0.260 242 R C -0.598 175.650 176.300 -0.086 0.000 1.053 242 R CA 0.527 56.551 56.100 -0.127 0.000 0.703 242 R CB -1.975 28.241 30.300 -0.140 0.000 1.089 242 R HN 0.261 nan 8.270 nan 0.000 0.459 243 E N 1.209 121.371 120.200 -0.063 0.000 2.392 243 E HA -0.011 4.340 4.350 0.000 0.000 0.264 243 E C 0.963 177.547 176.600 -0.026 0.000 1.024 243 E CA 0.052 56.431 56.400 -0.035 0.000 0.903 243 E CB 0.854 30.552 29.700 -0.003 0.000 0.963 243 E HN 0.328 nan 8.360 nan 0.000 0.432 244 E N 1.807 121.992 120.200 -0.025 0.000 2.250 244 E HA -0.065 4.286 4.350 0.000 0.000 0.192 244 E C 0.439 177.037 176.600 -0.004 0.000 0.986 244 E CA 0.274 56.664 56.400 -0.015 0.000 0.849 244 E CB 0.364 30.053 29.700 -0.018 0.000 0.797 244 E HN 0.413 nan 8.360 nan 0.000 0.482 245 E N 0.496 120.696 120.200 -0.001 0.000 2.359 245 E HA 0.136 4.486 4.350 0.000 0.000 0.187 245 E C -0.585 176.023 176.600 0.015 0.000 1.081 245 E CA -0.419 55.986 56.400 0.008 0.000 0.929 245 E CB 0.610 30.316 29.700 0.010 0.000 1.086 245 E HN 0.139 nan 8.360 nan 0.000 0.462 246 A N 1.208 124.036 122.820 0.013 0.000 2.522 246 A HA 0.457 4.777 4.320 0.000 0.000 0.256 246 A C 0.582 178.180 177.584 0.023 0.000 1.086 246 A CA 0.762 52.812 52.037 0.022 0.000 0.763 246 A CB 0.290 19.302 19.000 0.020 0.000 1.024 246 A HN 0.291 nan 8.150 nan 0.000 0.502 247 G N 2.249 111.066 108.800 0.027 0.000 2.441 247 G HA2 0.484 4.444 3.960 0.000 0.000 0.294 247 G HA3 0.484 4.444 3.960 0.000 0.000 0.294 247 G C -2.620 172.295 174.900 0.025 0.000 1.393 247 G CA -0.183 44.931 45.100 0.024 0.000 0.796 247 G HN 0.208 nan 8.290 nan 0.000 0.494 248 P HA -0.093 nan 4.420 nan 0.000 0.216 248 P C 2.200 179.511 177.300 0.019 0.000 1.153 248 P CA 2.650 65.762 63.100 0.020 0.000 0.858 248 P CB 0.126 31.836 31.700 0.016 0.000 0.789 249 A N -0.579 122.253 122.820 0.019 0.000 1.873 249 A HA -0.227 4.093 4.320 0.000 0.000 0.218 249 A C 2.181 179.778 177.584 0.022 0.000 1.193 249 A CA 1.966 54.014 52.037 0.018 0.000 0.629 249 A CB -1.748 17.263 19.000 0.018 0.000 0.826 249 A HN 0.176 nan 8.150 nan 0.000 0.447 250 L N -0.257 120.981 121.223 0.026 0.000 1.976 250 L HA -0.069 4.272 4.340 0.000 0.000 0.209 250 L C 2.748 179.635 176.870 0.028 0.000 1.071 250 L CA 2.486 57.346 54.840 0.033 0.000 0.746 250 L CB -1.167 40.913 42.059 0.036 0.000 0.890 250 L HN 0.382 nan 8.230 nan 0.000 0.432 251 A N -0.645 122.190 122.820 0.025 0.000 1.917 251 A HA -0.244 4.076 4.320 0.000 0.000 0.219 251 A C 2.344 179.941 177.584 0.022 0.000 1.182 251 A CA 2.338 54.387 52.037 0.021 0.000 0.633 251 A CB -1.020 17.998 19.000 0.030 0.000 0.819 251 A HN 0.533 nan 8.150 nan 0.000 0.448 252 L N 0.118 121.354 121.223 0.022 0.000 2.005 252 L HA -0.182 4.158 4.340 0.000 0.000 0.207 252 L C 3.095 179.974 176.870 0.015 0.000 1.072 252 L CA 1.729 56.580 54.840 0.019 0.000 0.744 252 L CB -0.359 41.709 42.059 0.015 0.000 0.895 252 L HN 0.598 nan 8.230 nan 0.000 0.433 253 S N -0.323 115.386 115.700 0.014 0.000 2.399 253 S HA -0.168 4.302 4.470 0.000 0.000 0.231 253 S C 1.944 176.543 174.600 -0.002 0.000 1.022 253 S CA 0.947 59.148 58.200 0.001 0.000 0.983 253 S CB -0.761 62.444 63.200 0.010 0.000 0.803 253 S HN 0.331 nan 8.310 nan 0.000 0.480 254 L N 0.802 122.055 121.223 0.050 0.000 2.017 254 L HA -0.061 4.279 4.340 0.000 0.000 0.208 254 L C 2.634 179.586 176.870 0.137 0.000 1.073 254 L CA 1.402 56.330 54.840 0.147 0.000 0.745 254 L CB -0.684 41.408 42.059 0.055 0.000 0.894 254 L HN 0.303 nan 8.230 nan 0.000 0.432 255 I N -0.056 120.559 120.570 0.075 0.000 2.127 255 I HA -0.301 3.869 4.170 0.000 0.000 0.241 255 I C 2.683 178.821 176.117 0.035 0.000 1.075 255 I CA 1.469 62.815 61.300 0.076 0.000 1.334 255 I CB -0.284 37.749 38.000 0.055 0.000 1.040 255 I HN 0.297 nan 8.210 nan 0.000 0.405 256 E N 1.515 121.711 120.200 -0.008 0.000 2.058 256 E HA -0.272 4.078 4.350 0.000 0.000 0.194 256 E C 2.195 178.739 176.600 -0.093 0.000 0.997 256 E CA 1.665 58.044 56.400 -0.035 0.000 0.801 256 E CB -0.221 29.456 29.700 -0.038 0.000 0.746 256 E HN 0.203 nan 8.360 nan 0.000 0.450 257 R N -1.749 118.630 120.500 -0.201 0.000 2.075 257 R HA -0.097 4.243 4.340 0.000 0.000 0.232 257 R C 1.458 177.456 176.300 -0.503 0.000 1.126 257 R CA 1.815 57.644 56.100 -0.451 0.000 0.963 257 R CB -0.158 29.671 30.300 -0.785 0.000 0.858 257 R HN 0.318 nan 8.270 nan 0.000 0.435 258 Y N -1.139 119.207 120.300 0.077 0.000 2.430 258 Y HA 0.249 4.799 4.550 0.000 0.000 0.248 258 Y C 0.019 175.964 175.900 0.075 0.000 1.108 258 Y CA -0.576 57.577 58.100 0.089 0.000 1.264 258 Y CB 0.175 38.722 38.460 0.145 0.000 1.172 258 Y HN -0.091 nan 8.280 nan 0.000 0.520 259 E N 3.919 124.222 120.200 0.171 0.000 2.299 259 E HA 0.063 4.413 4.350 0.000 0.000 0.272 259 E C -1.784 174.868 176.600 0.086 0.000 1.043 259 E CA -2.201 54.275 56.400 0.125 0.000 0.895 259 E CB 0.846 30.602 29.700 0.093 0.000 1.011 259 E HN 0.078 nan 8.360 nan 0.000 0.432 260 P HA -0.053 nan 4.420 nan 0.000 0.219 260 P C 0.137 177.461 177.300 0.039 0.000 1.154 260 P CA 0.272 63.406 63.100 0.056 0.000 0.826 260 P CB 0.169 31.900 31.700 0.051 0.000 0.795 261 S N 1.364 117.086 115.700 0.037 0.000 2.457 261 S HA -0.001 4.469 4.470 0.000 0.000 0.294 261 S C 1.338 175.955 174.600 0.027 0.000 1.201 261 S CA -0.279 57.938 58.200 0.028 0.000 1.112 261 S CB -0.331 62.885 63.200 0.026 0.000 1.018 261 S HN -0.044 nan 8.310 nan 0.000 0.511 262 E N 3.685 123.898 120.200 0.022 0.000 2.209 262 E HA -0.120 4.230 4.350 0.000 0.000 0.196 262 E C 1.841 178.451 176.600 0.017 0.000 0.993 262 E CA 1.836 58.247 56.400 0.018 0.000 0.819 262 E CB -0.423 29.286 29.700 0.014 0.000 0.745 262 E HN 0.922 nan 8.360 nan 0.000 0.477 263 T N 0.382 114.947 114.554 0.018 0.000 2.770 263 T HA 0.025 4.375 4.350 0.000 0.000 0.258 263 T C 2.145 176.857 174.700 0.020 0.000 1.039 263 T CA 1.183 63.292 62.100 0.016 0.000 1.143 263 T CB -0.416 68.461 68.868 0.015 0.000 0.866 263 T HN 0.208 nan 8.240 nan 0.000 0.428 264 A N 2.089 124.923 122.820 0.024 0.000 1.892 264 A HA -0.192 4.128 4.320 0.000 0.000 0.218 264 A C 2.314 179.917 177.584 0.032 0.000 1.188 264 A CA 2.248 54.304 52.037 0.031 0.000 0.631 264 A CB -0.801 18.223 19.000 0.040 0.000 0.822 264 A HN 0.502 nan 8.150 nan 0.000 0.447 265 K N -0.561 119.858 120.400 0.031 0.000 2.020 265 K HA -0.180 4.141 4.320 0.000 0.000 0.212 265 K C 2.210 178.822 176.600 0.021 0.000 1.050 265 K CA 1.572 57.877 56.287 0.029 0.000 0.929 265 K CB -0.388 32.127 32.500 0.025 0.000 0.714 265 K HN 0.417 nan 8.250 nan 0.000 0.443 266 A N 0.673 123.504 122.820 0.017 0.000 1.908 266 A HA -0.210 4.110 4.320 0.000 0.000 0.218 266 A C 1.706 179.298 177.584 0.014 0.000 1.181 266 A CA 1.587 53.633 52.037 0.013 0.000 0.627 266 A CB -0.429 18.578 19.000 0.012 0.000 0.818 266 A HN 0.490 nan 8.150 nan 0.000 0.445 267 Q N -1.191 118.619 119.800 0.016 0.000 2.329 267 Q HA 0.194 4.534 4.340 0.000 0.000 0.208 267 Q C -0.523 175.487 176.000 0.017 0.000 0.934 267 Q CA -0.244 55.568 55.803 0.015 0.000 0.951 267 Q CB 0.041 28.788 28.738 0.015 0.000 1.017 267 Q HN 0.538 nan 8.270 nan 0.000 0.490 268 R N 0.941 121.452 120.500 0.019 0.000 3.264 268 R HA -0.213 4.128 4.340 0.000 0.000 0.251 268 R C -0.874 175.441 176.300 0.025 0.000 0.971 268 R CA 0.596 56.708 56.100 0.021 0.000 0.658 268 R CB -1.662 28.647 30.300 0.016 0.000 1.095 268 R HN 0.395 nan 8.270 nan 0.000 0.443 269 Q N -0.098 119.723 119.800 0.034 0.000 2.456 269 Q HA 0.617 4.957 4.340 0.000 0.000 0.283 269 Q C -0.774 175.267 176.000 0.068 0.000 1.084 269 Q CA -1.003 54.827 55.803 0.044 0.000 0.801 269 Q CB 2.673 31.436 28.738 0.041 0.000 1.434 269 Q HN 0.242 nan 8.270 nan 0.000 0.419 270 M N 1.545 121.202 119.600 0.095 0.000 2.321 270 M HA 0.431 4.912 4.480 0.000 0.000 0.315 270 M C -0.729 175.688 176.300 0.195 0.000 1.052 270 M CA -0.331 55.055 55.300 0.143 0.000 0.936 270 M CB 1.846 34.551 32.600 0.175 0.000 1.639 270 M HN 0.830 nan 8.290 nan 0.000 0.433 271 T N 0.763 115.392 114.554 0.126 0.000 2.824 271 T HA 0.324 4.674 4.350 0.000 0.000 0.277 271 T C 0.834 175.411 174.700 -0.205 0.000 0.975 271 T CA -0.671 61.447 62.100 0.030 0.000 0.966 271 T CB 1.235 70.090 68.868 -0.021 0.000 1.054 271 T HN 0.886 nan 8.240 nan 0.000 0.533 272 K N 0.033 119.978 120.400 -0.758 0.000 2.063 272 K HA -0.174 4.147 4.320 0.000 0.000 0.208 272 K C 1.557 177.955 176.600 -0.336 0.000 1.048 272 K CA 1.769 57.340 56.287 -1.194 0.000 0.928 272 K CB -0.297 31.541 32.500 -1.102 0.000 0.713 272 K HN 0.560 nan 8.250 nan 0.000 0.442 273 D N -0.350 119.934 120.400 -0.193 0.000 2.097 273 D HA -0.122 4.518 4.640 0.000 0.000 0.195 273 D C 1.844 178.157 176.300 0.022 0.000 0.989 273 D CA 1.501 55.463 54.000 -0.063 0.000 0.827 273 D CB -0.608 40.171 40.800 -0.036 0.000 0.966 273 D HN 0.447 nan 8.370 nan 0.000 0.456 274 G N 0.115 108.954 108.800 0.064 0.000 2.442 274 G HA2 -0.297 3.663 3.960 0.000 0.000 0.219 274 G HA3 -0.297 3.663 3.960 0.000 0.000 0.219 274 G C 1.504 176.543 174.900 0.231 0.000 1.141 274 G CA 0.420 45.615 45.100 0.160 0.000 0.763 274 G HN 0.204 nan 8.290 nan 0.000 0.554 275 F N 0.877 120.853 119.950 0.042 0.000 2.095 275 F HA -0.050 4.478 4.527 0.000 0.000 0.298 275 F C 2.320 178.173 175.800 0.089 0.000 1.104 275 F CA 1.294 59.361 58.000 0.112 0.000 1.232 275 F CB -0.460 38.595 39.000 0.092 0.000 0.987 275 F HN 0.124 nan 8.300 nan 0.000 0.475 276 L N -0.081 121.159 121.223 0.029 0.000 2.017 276 L HA -0.224 4.117 4.340 0.000 0.000 0.208 276 L C 2.296 179.076 176.870 -0.149 0.000 1.073 276 L CA 1.798 56.563 54.840 -0.125 0.000 0.745 276 L CB -0.984 41.018 42.059 -0.096 0.000 0.894 276 L HN 0.141 nan 8.230 nan 0.000 0.432 277 M N -1.177 118.386 119.600 -0.062 0.000 2.073 277 M HA -0.289 4.191 4.480 0.000 0.000 0.258 277 M C 2.416 178.536 176.300 -0.299 0.000 1.070 277 M CA 2.117 57.373 55.300 -0.074 0.000 1.103 277 M CB -1.396 31.266 32.600 0.103 0.000 1.321 277 M HN 0.526 nan 8.290 nan 0.000 0.405 278 Y N 0.787 120.822 120.300 -0.442 0.000 2.165 278 Y HA -0.197 4.353 4.550 0.000 0.000 0.286 278 Y C 2.038 177.661 175.900 -0.461 0.000 1.155 278 Y CA 1.670 59.297 58.100 -0.787 0.000 1.164 278 Y CB -0.784 37.493 38.460 -0.305 0.000 0.978 278 Y HN 0.173 nan 8.280 nan 0.000 0.513 279 L N -0.140 120.659 121.223 -0.707 0.000 2.201 279 L HA -0.175 4.165 4.340 0.000 0.000 0.212 279 L C 2.054 178.825 176.870 -0.164 0.000 1.105 279 L CA 1.003 55.510 54.840 -0.556 0.000 0.775 279 L CB -0.343 41.547 42.059 -0.282 0.000 0.913 279 L HN 0.334 nan 8.230 nan 0.000 0.440 280 L N -1.093 119.972 121.223 -0.263 0.000 2.592 280 L HA 0.065 4.406 4.340 0.000 0.000 0.227 280 L C 1.508 178.328 176.870 -0.083 0.000 1.127 280 L CA -0.292 54.413 54.840 -0.225 0.000 0.884 280 L CB 0.030 41.902 42.059 -0.311 0.000 1.065 280 L HN 0.254 nan 8.230 nan 0.000 0.457 281 S N -0.553 115.001 115.700 -0.242 0.000 2.671 281 S HA 0.387 4.857 4.470 0.000 0.000 0.272 281 S C 1.415 175.935 174.600 -0.134 0.000 1.174 281 S CA -0.010 58.085 58.200 -0.175 0.000 1.004 281 S CB 1.573 64.497 63.200 -0.460 0.000 1.077 281 S HN 0.092 nan 8.310 nan 0.000 0.553 282 A N 0.095 122.899 122.820 -0.026 0.000 2.070 282 A HA -0.050 4.270 4.320 0.000 0.000 0.220 282 A C 1.760 179.330 177.584 -0.023 0.000 1.159 282 A CA 1.519 53.529 52.037 -0.045 0.000 0.656 282 A CB -0.940 18.079 19.000 0.030 0.000 0.800 282 A HN 0.879 nan 8.150 nan 0.000 0.453 283 D N -0.782 119.633 120.400 0.026 0.000 2.249 283 D HA -0.031 4.610 4.640 0.000 0.000 0.205 283 D C 1.857 178.099 176.300 -0.096 0.000 0.962 283 D CA 1.183 55.233 54.000 0.083 0.000 0.860 283 D CB -0.061 40.948 40.800 0.349 0.000 0.955 283 D HN 0.483 nan 8.370 nan 0.000 0.505 284 G N 0.359 108.952 108.800 -0.345 0.000 2.880 284 G HA2 -0.113 3.847 3.960 0.000 0.000 0.209 284 G HA3 -0.113 3.847 3.960 0.000 0.000 0.209 284 G C 0.870 175.675 174.900 -0.160 0.000 1.157 284 G CA -0.257 44.578 45.100 -0.443 0.000 0.779 284 G HN 0.046 nan 8.290 nan 0.000 0.539 285 N N 1.162 119.781 118.700 -0.136 0.000 2.458 285 N HA 0.159 4.899 4.740 0.000 0.000 0.258 285 N C 1.542 177.015 175.510 -0.061 0.000 1.219 285 N CA 0.469 53.448 53.050 -0.118 0.000 0.902 285 N CB 1.417 39.784 38.487 -0.200 0.000 1.076 285 N HN 0.032 nan 8.380 nan 0.000 0.455 286 A N 4.219 127.011 122.820 -0.046 0.000 2.125 286 A HA -0.096 4.224 4.320 0.000 0.000 0.219 286 A C 0.703 178.258 177.584 -0.047 0.000 1.156 286 A CA 0.615 52.602 52.037 -0.084 0.000 0.671 286 A CB -0.327 18.587 19.000 -0.145 0.000 0.794 286 A HN 0.601 nan 8.150 nan 0.000 0.459 287 F N 1.121 121.003 119.950 -0.112 0.000 2.390 287 F HA 0.423 4.951 4.527 0.000 0.000 0.361 287 F C 0.906 176.640 175.800 -0.110 0.000 1.124 287 F CA -1.203 56.747 58.000 -0.083 0.000 1.149 287 F CB 0.720 39.691 39.000 -0.048 0.000 1.160 287 F HN -0.004 nan 8.300 nan 0.000 0.501 288 S N 6.574 122.259 115.700 -0.024 0.000 2.998 288 S HA -0.103 4.367 4.470 0.000 0.000 0.348 288 S C 1.433 176.078 174.600 0.074 0.000 1.210 288 S CA -0.430 57.711 58.200 -0.097 0.000 1.118 288 S CB -0.207 62.704 63.200 -0.480 0.000 0.832 288 S HN 0.816 nan 8.310 nan 0.000 0.516 289 L N 6.474 127.718 121.223 0.034 0.000 2.129 289 L HA -0.018 4.322 4.340 0.000 0.000 0.212 289 L C 2.390 179.286 176.870 0.043 0.000 1.087 289 L CA 2.531 57.403 54.840 0.053 0.000 0.757 289 L CB -1.279 40.804 42.059 0.040 0.000 0.896 289 L HN 0.841 nan 8.230 nan 0.000 0.434 290 A N -1.700 121.091 122.820 -0.048 0.000 2.019 290 A HA -0.207 4.113 4.320 0.000 0.000 0.219 290 A C 1.756 179.344 177.584 0.007 0.000 1.164 290 A CA 1.591 53.589 52.037 -0.065 0.000 0.644 290 A CB -0.853 18.043 19.000 -0.173 0.000 0.805 290 A HN 0.669 nan 8.150 nan 0.000 0.449 291 H N -0.831 118.188 119.070 -0.085 0.000 2.539 291 H HA 0.200 4.756 4.556 0.000 0.000 0.269 291 H C 1.016 176.520 175.328 0.294 0.000 0.980 291 H CA 0.222 56.271 56.048 0.003 0.000 1.152 291 H CB 0.047 29.857 29.762 0.079 0.000 1.407 291 H HN 0.477 nan 8.280 nan 0.000 0.564 292 R N 1.221 121.907 120.500 0.311 0.000 2.449 292 R HA 0.167 4.507 4.340 0.000 0.000 0.262 292 R C -0.013 176.393 176.300 0.176 0.000 1.006 292 R CA -0.065 56.151 56.100 0.193 0.000 1.104 292 R CB 0.248 30.584 30.300 0.060 0.000 1.206 292 R HN 0.295 nan 8.270 nan 0.000 0.538 293 R N -2.388 118.264 120.500 0.254 0.000 2.707 293 R HA 0.318 4.658 4.340 0.000 0.000 0.272 293 R C -0.968 175.522 176.300 0.316 0.000 1.011 293 R CA -0.949 55.287 56.100 0.227 0.000 0.893 293 R CB 1.047 31.452 30.300 0.174 0.000 1.233 293 R HN -0.221 nan 8.270 nan 0.000 0.464 294 V N 3.591 123.641 119.914 0.227 0.000 2.458 294 V HA -0.016 4.104 4.120 0.000 0.000 0.287 294 V C -0.176 176.036 176.094 0.197 0.000 1.009 294 V CA 0.592 62.991 62.300 0.166 0.000 1.091 294 V CB -0.713 31.212 31.823 0.170 0.000 0.960 294 V HN 0.904 nan 8.190 nan 0.000 0.476 295 Y N 1.911 122.248 120.300 0.061 0.000 2.610 295 Y HA 0.489 5.039 4.550 0.000 0.000 0.254 295 Y C 0.609 176.524 175.900 0.025 0.000 1.110 295 Y CA -0.801 57.332 58.100 0.054 0.000 1.238 295 Y CB -0.196 38.310 38.460 0.076 0.000 1.322 295 Y HN 0.474 nan 8.280 nan 0.000 0.547 296 Q N 1.322 120.749 119.800 -0.622 0.000 2.237 296 Q HA 0.122 4.462 4.340 0.000 0.000 0.219 296 Q C -0.805 175.113 176.000 -0.136 0.000 0.999 296 Q CA -0.775 54.770 55.803 -0.429 0.000 0.959 296 Q CB 0.649 29.078 28.738 -0.514 0.000 1.173 296 Q HN 0.172 nan 8.270 nan 0.000 0.527 297 D N 1.162 121.524 120.400 -0.063 0.000 2.348 297 D HA 0.007 4.647 4.640 0.000 0.000 0.259 297 D C -0.183 176.170 176.300 0.088 0.000 1.296 297 D CA 0.088 54.090 54.000 0.003 0.000 0.931 297 D CB 0.560 41.357 40.800 -0.006 0.000 1.067 297 D HN 0.334 nan 8.370 nan 0.000 0.503 298 M N 2.474 122.089 119.600 0.025 0.000 2.551 298 M HA 0.110 4.590 4.480 0.000 0.000 0.252 298 M C 0.085 176.365 176.300 -0.033 0.000 1.219 298 M CA -0.015 55.242 55.300 -0.071 0.000 0.978 298 M CB 0.017 32.497 32.600 -0.200 0.000 1.533 298 M HN 0.265 nan 8.290 nan 0.000 0.474 299 D N 0.006 120.438 120.400 0.053 0.000 2.431 299 D HA 0.147 4.787 4.640 0.000 0.000 0.213 299 D C 0.407 176.706 176.300 -0.002 0.000 1.130 299 D CA 0.169 54.170 54.000 0.002 0.000 0.834 299 D CB 0.870 41.662 40.800 -0.013 0.000 0.985 299 D HN 0.399 nan 8.370 nan 0.000 0.504 300 Q N 0.953 120.809 119.800 0.093 0.000 2.249 300 Q HA 0.339 4.679 4.340 0.000 0.000 0.226 300 Q C -2.427 173.549 176.000 -0.039 0.000 0.983 300 Q CA -1.800 53.946 55.803 -0.095 0.000 0.930 300 Q CB 0.553 29.139 28.738 -0.254 0.000 1.193 300 Q HN -0.103 nan 8.270 nan 0.000 0.508 301 P HA -0.036 nan 4.420 nan 0.000 0.269 301 P C 0.352 177.682 177.300 0.051 0.000 1.209 301 P CA 0.235 63.216 63.100 -0.198 0.000 0.776 301 P CB 0.481 31.989 31.700 -0.321 0.000 0.876 302 L N 1.759 123.035 121.223 0.088 0.000 2.103 302 L HA -0.281 4.059 4.340 0.000 0.000 0.215 302 L C 2.155 179.218 176.870 0.322 0.000 1.080 302 L CA 2.469 57.435 54.840 0.209 0.000 0.764 302 L CB -1.079 41.052 42.059 0.121 0.000 0.890 302 L HN 0.484 nan 8.230 nan 0.000 0.435 303 S N -2.098 113.742 115.700 0.234 0.000 2.547 303 S HA -0.167 4.303 4.470 0.000 0.000 0.235 303 S C 1.435 176.173 174.600 0.231 0.000 0.980 303 S CA 0.720 59.059 58.200 0.232 0.000 0.941 303 S CB -0.451 62.869 63.200 0.200 0.000 0.763 303 S HN 0.486 nan 8.310 nan 0.000 0.532 304 H N -0.309 118.733 119.070 -0.047 0.000 2.539 304 H HA 0.411 4.968 4.556 0.000 0.000 0.269 304 H C -0.564 174.466 175.328 -0.497 0.000 0.980 304 H CA -0.431 55.425 56.048 -0.320 0.000 1.152 304 H CB 0.004 29.457 29.762 -0.515 0.000 1.407 304 H HN 0.506 nan 8.280 nan 0.000 0.564 305 Y N -0.588 119.768 120.300 0.094 0.000 2.549 305 Y HA 0.388 4.938 4.550 0.000 0.000 0.339 305 Y C 0.018 175.963 175.900 0.076 0.000 1.053 305 Y CA -1.119 57.017 58.100 0.060 0.000 1.105 305 Y CB 1.520 40.066 38.460 0.143 0.000 1.258 305 Y HN -0.199 nan 8.280 nan 0.000 0.478 306 L N 2.361 123.691 121.223 0.179 0.000 2.350 306 L HA 0.523 4.863 4.340 0.000 0.000 0.275 306 L C -0.851 176.223 176.870 0.340 0.000 1.099 306 L CA -0.860 54.077 54.840 0.161 0.000 0.808 306 L CB 0.926 42.874 42.059 -0.184 0.000 1.149 306 L HN 0.320 nan 8.230 nan 0.000 0.442 307 V N 1.817 121.901 119.914 0.283 0.000 2.448 307 V HA 0.175 4.296 4.120 0.000 0.000 0.295 307 V C 0.264 176.205 176.094 -0.255 0.000 1.025 307 V CA -0.593 61.676 62.300 -0.052 0.000 0.859 307 V CB 1.750 33.585 31.823 0.020 0.000 0.988 307 V HN 0.801 nan 8.190 nan 0.000 0.431 308 S N 3.823 118.981 115.700 -0.902 0.000 2.481 308 S HA 0.326 4.796 4.470 0.000 0.000 0.282 308 S C 0.137 174.616 174.600 -0.202 0.000 1.243 308 S CA -0.169 57.515 58.200 -0.860 0.000 1.078 308 S CB -0.166 62.479 63.200 -0.925 0.000 0.916 308 S HN 0.847 nan 8.310 nan 0.000 0.495 309 S N 3.559 119.339 115.700 0.134 0.000 2.541 309 S HA 0.633 5.103 4.470 0.000 0.000 0.280 309 S C -0.645 173.910 174.600 -0.074 0.000 1.112 309 S CA -0.962 57.245 58.200 0.012 0.000 0.925 309 S CB 1.912 65.192 63.200 0.133 0.000 1.067 309 S HN 0.841 nan 8.310 nan 0.000 0.479 310 S N 1.119 116.651 115.700 -0.279 0.000 2.621 310 S HA 0.580 5.050 4.470 0.000 0.000 0.302 310 S C -0.895 173.664 174.600 -0.068 0.000 1.093 310 S CA -0.758 57.264 58.200 -0.298 0.000 1.017 310 S CB 1.220 64.011 63.200 -0.682 0.000 1.077 310 S HN 0.843 nan 8.310 nan 0.000 0.517 311 H N 1.476 120.468 119.070 -0.130 0.000 2.459 311 H HA 0.301 4.857 4.556 0.000 0.000 0.332 311 H C -0.500 174.684 175.328 -0.240 0.000 1.094 311 H CA -0.169 55.812 56.048 -0.112 0.000 1.224 311 H CB 0.449 30.189 29.762 -0.037 0.000 1.449 311 H HN 0.839 nan 8.280 nan 0.000 0.484 312 N N 3.731 121.939 118.700 -0.819 0.000 2.699 312 N HA -0.172 4.568 4.740 0.000 0.000 0.256 312 N C 0.919 175.823 175.510 -1.010 0.000 0.993 312 N CA 1.311 53.777 53.050 -0.974 0.000 0.759 312 N CB -1.300 36.422 38.487 -1.276 0.000 0.906 312 N HN 0.721 nan 8.380 nan 0.000 0.541 313 T N -1.566 112.609 114.554 -0.631 0.000 2.792 313 T HA -0.272 4.079 4.350 0.000 0.000 0.268 313 T C 1.545 175.666 174.700 -0.965 0.000 1.059 313 T CA 1.915 63.585 62.100 -0.716 0.000 1.136 313 T CB -0.406 68.070 68.868 -0.653 0.000 0.846 313 T HN 0.714 nan 8.240 nan 0.000 0.489 314 Y N 0.807 120.713 120.300 -0.658 0.000 2.497 314 Y HA 0.342 4.892 4.550 0.000 0.000 0.292 314 Y C 0.805 176.572 175.900 -0.220 0.000 1.137 314 Y CA -0.531 57.320 58.100 -0.415 0.000 1.285 314 Y CB -1.025 37.466 38.460 0.051 0.000 0.991 314 Y HN 0.122 nan 8.280 nan 0.000 0.556 315 L N 1.715 122.556 121.223 -0.636 0.000 2.380 315 L HA 0.132 4.472 4.340 0.000 0.000 0.273 315 L C 0.855 177.596 176.870 -0.215 0.000 1.138 315 L CA -0.191 54.445 54.840 -0.340 0.000 0.832 315 L CB 1.362 43.158 42.059 -0.439 0.000 1.124 315 L HN 0.289 nan 8.230 nan 0.000 0.454 316 L N 1.814 122.974 121.223 -0.105 0.000 2.463 316 L HA 0.161 4.501 4.340 0.000 0.000 0.219 316 L C 1.059 177.891 176.870 -0.063 0.000 1.088 316 L CA 0.568 55.362 54.840 -0.077 0.000 0.849 316 L CB 0.210 42.246 42.059 -0.038 0.000 1.012 316 L HN 0.753 nan 8.230 nan 0.000 0.468 317 E N -0.901 119.268 120.200 -0.053 0.000 4.448 317 E HA 0.102 4.452 4.350 0.000 0.000 0.159 317 E C -0.756 175.824 176.600 -0.034 0.000 1.117 317 E CA -0.706 55.673 56.400 -0.035 0.000 0.873 317 E CB 0.230 29.924 29.700 -0.009 0.000 1.896 317 E HN 0.078 nan 8.360 nan 0.000 0.412 318 D N 0.696 121.096 120.400 -0.000 0.000 2.393 318 D HA -0.020 4.620 4.640 0.000 0.000 0.246 318 D C 0.489 176.809 176.300 0.033 0.000 1.275 318 D CA -0.050 53.961 54.000 0.018 0.000 0.979 318 D CB 0.752 41.580 40.800 0.047 0.000 1.101 318 D HN 0.149 nan 8.370 nan 0.000 0.505 319 Q N -0.555 119.286 119.800 0.069 0.000 2.360 319 Q HA 0.164 4.504 4.340 0.000 0.000 0.202 319 Q C 1.675 177.856 176.000 0.302 0.000 0.915 319 Q CA 0.259 56.146 55.803 0.141 0.000 0.943 319 Q CB 0.528 29.353 28.738 0.144 0.000 1.064 319 Q HN 0.539 nan 8.270 nan 0.000 0.511 320 L N -0.760 120.589 121.223 0.209 0.000 2.433 320 L HA 0.107 4.447 4.340 0.000 0.000 0.200 320 L C 1.773 178.797 176.870 0.257 0.000 1.059 320 L CA 1.444 56.417 54.840 0.222 0.000 0.835 320 L CB 0.069 42.244 42.059 0.193 0.000 1.076 320 L HN 0.131 nan 8.230 nan 0.000 0.481 321 T N -3.717 110.953 114.554 0.193 0.000 3.041 321 T HA 0.238 4.588 4.350 0.000 0.000 0.276 321 T C 0.942 175.718 174.700 0.128 0.000 0.948 321 T CA 0.256 62.465 62.100 0.181 0.000 0.885 321 T CB 0.138 69.068 68.868 0.103 0.000 1.175 321 T HN 0.111 nan 8.240 nan 0.000 0.529 322 G N 3.162 112.027 108.800 0.108 0.000 2.716 322 G HA2 0.502 4.462 3.960 0.000 0.000 0.251 322 G HA3 0.502 4.462 3.960 0.000 0.000 0.251 322 G C -2.575 172.378 174.900 0.088 0.000 1.224 322 G CA -0.994 44.151 45.100 0.074 0.000 0.891 322 G HN 0.284 nan 8.290 nan 0.000 0.561 323 P HA 0.317 nan 4.420 nan 0.000 0.279 323 P C -0.668 176.684 177.300 0.088 0.000 1.252 323 P CA -0.388 62.756 63.100 0.073 0.000 0.811 323 P CB 1.681 33.408 31.700 0.046 0.000 1.035 324 S N 0.009 115.785 115.700 0.127 0.000 2.532 324 S HA 0.675 5.145 4.470 0.000 0.000 0.301 324 S C -0.558 174.122 174.600 0.134 0.000 1.083 324 S CA -0.384 57.927 58.200 0.185 0.000 1.025 324 S CB 1.179 64.566 63.200 0.311 0.000 1.056 324 S HN 0.626 nan 8.310 nan 0.000 0.494 325 S N 0.187 115.967 115.700 0.133 0.000 2.565 325 S HA 0.345 4.815 4.470 0.000 0.000 0.274 325 S C 0.898 175.588 174.600 0.150 0.000 1.144 325 S CA -0.079 58.185 58.200 0.108 0.000 0.849 325 S CB 0.691 63.922 63.200 0.051 0.000 1.103 325 S HN 0.807 nan 8.310 nan 0.000 0.455 326 T N 0.272 114.909 114.554 0.139 0.000 2.833 326 T HA -0.069 4.282 4.350 0.000 0.000 0.269 326 T C 1.484 176.245 174.700 0.103 0.000 1.054 326 T CA 1.427 63.629 62.100 0.170 0.000 1.135 326 T CB -0.463 68.445 68.868 0.066 0.000 0.869 326 T HN 0.641 nan 8.240 nan 0.000 0.466 327 E N 1.905 122.122 120.200 0.028 0.000 2.171 327 E HA -0.163 4.188 4.350 0.000 0.000 0.197 327 E C 2.332 178.897 176.600 -0.059 0.000 0.997 327 E CA 1.405 57.784 56.400 -0.035 0.000 0.810 327 E CB -0.502 29.180 29.700 -0.029 0.000 0.738 327 E HN 0.679 nan 8.360 nan 0.000 0.467 328 A N -0.272 122.511 122.820 -0.061 0.000 1.930 328 A HA -0.162 4.158 4.320 0.000 0.000 0.217 328 A C 1.964 179.413 177.584 -0.224 0.000 1.175 328 A CA 1.168 53.106 52.037 -0.165 0.000 0.627 328 A CB -0.737 18.115 19.000 -0.247 0.000 0.815 328 A HN 0.303 nan 8.150 nan 0.000 0.443 329 Y N -0.124 120.118 120.300 -0.097 0.000 2.200 329 Y HA -0.083 4.467 4.550 0.000 0.000 0.290 329 Y C 2.224 178.023 175.900 -0.168 0.000 1.137 329 Y CA 1.373 59.399 58.100 -0.122 0.000 1.163 329 Y CB -0.343 38.058 38.460 -0.098 0.000 0.988 329 Y HN 0.203 nan 8.280 nan 0.000 0.518 330 I N -0.513 120.011 120.570 -0.077 0.000 2.179 330 I HA -0.336 3.834 4.170 0.000 0.000 0.242 330 I C 2.583 178.552 176.117 -0.247 0.000 1.088 330 I CA 1.441 62.533 61.300 -0.346 0.000 1.357 330 I CB -0.317 37.322 38.000 -0.601 0.000 1.051 330 I HN 0.078 nan 8.210 nan 0.000 0.409 331 R N 1.038 121.444 120.500 -0.158 0.000 2.080 331 R HA -0.184 4.156 4.340 0.000 0.000 0.236 331 R C 2.371 178.662 176.300 -0.015 0.000 1.137 331 R CA 1.861 57.912 56.100 -0.081 0.000 0.943 331 R CB -0.414 29.850 30.300 -0.059 0.000 0.846 331 R HN 0.379 nan 8.270 nan 0.000 0.431 332 A N 0.358 123.157 122.820 -0.035 0.000 1.933 332 A HA -0.134 4.186 4.320 0.000 0.000 0.218 332 A C 2.185 179.752 177.584 -0.028 0.000 1.175 332 A CA 1.290 53.317 52.037 -0.018 0.000 0.628 332 A CB -0.551 18.284 19.000 -0.275 0.000 0.814 332 A HN 0.364 nan 8.150 nan 0.000 0.444 333 L N -1.017 120.178 121.223 -0.046 0.000 2.093 333 L HA -0.208 4.132 4.340 0.000 0.000 0.208 333 L C 2.519 179.417 176.870 0.045 0.000 1.085 333 L CA 1.055 55.887 54.840 -0.013 0.000 0.755 333 L CB -0.418 41.645 42.059 0.008 0.000 0.904 333 L HN 0.483 nan 8.230 nan 0.000 0.435 334 C N -0.340 118.984 119.300 0.040 0.000 2.432 334 C HA -0.108 4.352 4.460 0.000 0.000 0.282 334 C C 2.280 177.324 174.990 0.091 0.000 1.388 334 C CA 0.477 59.541 59.018 0.077 0.000 1.777 334 C CB -0.828 26.940 27.740 0.046 0.000 1.882 334 C HN 0.354 nan 8.230 nan 0.000 0.520 335 K N 0.309 120.781 120.400 0.119 0.000 2.476 335 K HA 0.209 4.529 4.320 0.000 0.000 0.196 335 K C 1.394 178.116 176.600 0.204 0.000 1.025 335 K CA 0.627 57.017 56.287 0.173 0.000 1.138 335 K CB -0.072 32.578 32.500 0.250 0.000 0.860 335 K HN 0.521 nan 8.250 nan 0.000 0.515 336 G N 1.310 110.191 108.800 0.135 0.000 2.159 336 G HA2 -0.305 3.655 3.960 0.000 0.000 0.256 336 G HA3 -0.305 3.655 3.960 0.000 0.000 0.256 336 G C 0.332 175.244 174.900 0.020 0.000 0.977 336 G CA -0.028 45.129 45.100 0.094 0.000 0.652 336 G HN 0.437 nan 8.290 nan 0.000 0.531 337 C N 1.022 120.322 119.300 0.000 0.000 2.596 337 C HA 0.513 4.973 4.460 0.000 0.000 0.414 337 C C 2.008 176.883 174.990 -0.191 0.000 1.396 337 C CA 0.341 59.235 59.018 -0.206 0.000 1.698 337 C CB 0.137 27.538 27.740 -0.565 0.000 2.572 337 C HN 0.505 nan 8.230 nan 0.000 0.604 338 R N 2.692 123.053 120.500 -0.232 0.000 2.167 338 R HA 0.139 4.479 4.340 0.000 0.000 0.201 338 R C 0.619 176.860 176.300 -0.099 0.000 1.024 338 R CA 0.490 56.493 56.100 -0.162 0.000 1.053 338 R CB -0.614 29.511 30.300 -0.292 0.000 0.987 338 R HN 0.719 nan 8.270 nan 0.000 0.493 339 C N 3.555 122.784 119.300 -0.119 0.000 2.239 339 C HA 0.562 5.022 4.460 0.000 0.000 0.323 339 C C 0.020 174.966 174.990 -0.073 0.000 1.205 339 C CA -0.761 58.232 59.018 -0.043 0.000 1.584 339 C CB -1.193 26.557 27.740 0.018 0.000 2.201 339 C HN 0.209 nan 8.230 nan 0.000 0.475 340 L N 4.572 125.780 121.223 -0.025 0.000 2.344 340 L HA 0.615 4.955 4.340 0.000 0.000 0.272 340 L C 0.037 176.960 176.870 0.088 0.000 1.035 340 L CA -0.324 54.529 54.840 0.020 0.000 0.807 340 L CB 1.226 43.358 42.059 0.121 0.000 1.237 340 L HN 0.600 nan 8.230 nan 0.000 0.442 341 E N 1.847 122.118 120.200 0.119 0.000 2.158 341 E HA 0.550 4.900 4.350 0.000 0.000 0.271 341 E C -1.696 175.100 176.600 0.327 0.000 0.911 341 E CA -0.706 55.782 56.400 0.147 0.000 0.767 341 E CB 1.516 31.237 29.700 0.035 0.000 1.120 341 E HN 0.346 nan 8.360 nan 0.000 0.405 342 L N 4.442 125.819 121.223 0.257 0.000 2.372 342 L HA 0.328 4.668 4.340 0.000 0.000 0.273 342 L C -1.220 175.749 176.870 0.166 0.000 0.989 342 L CA -0.575 54.422 54.840 0.262 0.000 0.841 342 L CB 1.750 43.921 42.059 0.185 0.000 1.225 342 L HN 0.476 nan 8.230 nan 0.000 0.414 343 D N 2.329 122.784 120.400 0.093 0.000 2.428 343 D HA 0.293 4.933 4.640 0.000 0.000 0.221 343 D C -0.665 175.686 176.300 0.085 0.000 1.123 343 D CA -0.120 53.929 54.000 0.083 0.000 0.869 343 D CB 0.799 41.689 40.800 0.151 0.000 1.032 343 D HN 0.356 nan 8.370 nan 0.000 0.506 344 C N 3.249 122.518 119.300 -0.052 0.000 2.307 344 C HA 0.587 5.047 4.460 0.000 0.000 0.340 344 C C -0.117 174.678 174.990 -0.325 0.000 1.275 344 C CA -0.963 58.009 59.018 -0.077 0.000 1.811 344 C CB -0.939 26.710 27.740 -0.151 0.000 2.372 344 C HN 0.560 nan 8.230 nan 0.000 0.531 345 W N 0.550 121.893 121.300 0.073 0.000 3.031 345 W HA 0.399 5.060 4.660 0.000 0.000 0.337 345 W C -0.581 175.990 176.519 0.087 0.000 1.187 345 W CA -0.519 56.901 57.345 0.125 0.000 1.166 345 W CB 0.636 30.248 29.460 0.253 0.000 1.437 345 W HN 0.438 nan 8.180 nan 0.000 0.551 346 D N 0.561 121.153 120.400 0.321 0.000 2.382 346 D HA 0.454 5.094 4.640 0.000 0.000 0.245 346 D C 0.343 176.746 176.300 0.172 0.000 1.120 346 D CA 0.579 54.683 54.000 0.173 0.000 0.890 346 D CB 1.074 41.955 40.800 0.134 0.000 1.201 346 D HN 0.482 nan 8.370 nan 0.000 0.433 347 G N 0.980 109.844 108.800 0.107 0.000 2.630 347 G HA2 0.587 4.547 3.960 0.000 0.000 0.296 347 G HA3 0.587 4.547 3.960 0.000 0.000 0.296 347 G C -2.743 172.186 174.900 0.049 0.000 1.285 347 G CA -1.319 43.827 45.100 0.076 0.000 0.958 347 G HN 0.211 nan 8.290 nan 0.000 0.479 348 P HA 0.060 nan 4.420 nan 0.000 0.271 348 P C 0.179 177.497 177.300 0.030 0.000 1.238 348 P CA -0.105 63.008 63.100 0.022 0.000 0.794 348 P CB 0.320 32.027 31.700 0.012 0.000 0.959 349 N N -0.463 118.251 118.700 0.024 0.000 2.678 349 N HA -0.251 4.490 4.740 0.000 0.000 0.250 349 N C -0.268 175.262 175.510 0.032 0.000 1.136 349 N CA 0.731 53.797 53.050 0.027 0.000 0.757 349 N CB -0.909 37.596 38.487 0.031 0.000 1.135 349 N HN 0.500 nan 8.380 nan 0.000 0.565 350 Q N -2.113 117.705 119.800 0.030 0.000 2.460 350 Q HA -0.166 4.174 4.340 0.000 0.000 0.248 350 Q C -0.678 175.348 176.000 0.042 0.000 0.847 350 Q CA 1.396 57.215 55.803 0.026 0.000 1.214 350 Q CB -1.203 27.541 28.738 0.011 0.000 1.523 350 Q HN 0.568 nan 8.270 nan 0.000 0.602 351 E N 0.920 121.161 120.200 0.068 0.000 2.133 351 E HA 0.390 4.740 4.350 0.000 0.000 0.274 351 E C -2.301 174.362 176.600 0.105 0.000 0.930 351 E CA -2.037 54.433 56.400 0.117 0.000 0.770 351 E CB 1.385 31.163 29.700 0.130 0.000 1.104 351 E HN -0.025 nan 8.360 nan 0.000 0.403 352 P HA 0.114 nan 4.420 nan 0.000 0.268 352 P C -0.079 177.317 177.300 0.161 0.000 1.205 352 P CA 0.139 63.278 63.100 0.065 0.000 0.771 352 P CB 0.410 32.032 31.700 -0.130 0.000 0.858 353 I N -0.664 120.022 120.570 0.193 0.000 3.023 353 I HA 0.647 4.817 4.170 0.000 0.000 0.312 353 I C -0.564 175.734 176.117 0.301 0.000 1.056 353 I CA -1.439 59.993 61.300 0.221 0.000 1.033 353 I CB 2.029 40.128 38.000 0.164 0.000 1.233 353 I HN 0.088 nan 8.210 nan 0.000 0.462 354 I N 2.810 123.527 120.570 0.246 0.000 2.545 354 I HA 0.573 4.743 4.170 0.000 0.000 0.292 354 I C -1.118 175.062 176.117 0.105 0.000 1.040 354 I CA -0.588 60.800 61.300 0.146 0.000 1.068 354 I CB 2.032 40.047 38.000 0.025 0.000 1.251 354 I HN 0.795 nan 8.210 nan 0.000 0.424 355 Y N 3.437 123.556 120.300 -0.302 0.000 2.852 355 Y HA 0.334 4.884 4.550 0.000 0.000 0.350 355 Y C -1.366 174.451 175.900 -0.138 0.000 1.272 355 Y CA -1.260 56.688 58.100 -0.254 0.000 1.086 355 Y CB 0.775 39.168 38.460 -0.111 0.000 1.408 355 Y HN 0.509 nan 8.280 nan 0.000 0.447 356 H N 1.249 120.185 119.070 -0.224 0.000 2.782 356 H HA 0.447 5.003 4.556 0.000 0.000 0.285 356 H C 0.484 175.352 175.328 -0.766 0.000 1.093 356 H CA -0.293 55.606 56.048 -0.247 0.000 1.410 356 H CB 0.641 30.445 29.762 0.070 0.000 1.439 356 H HN 1.132 nan 8.280 nan 0.000 0.469 357 G N 4.123 112.341 108.800 -0.970 0.000 2.225 357 G HA2 -0.134 3.826 3.960 0.000 0.000 0.245 357 G HA3 -0.134 3.826 3.960 0.000 0.000 0.245 357 G C -0.651 173.696 174.900 -0.921 0.000 1.249 357 G CA 0.029 44.288 45.100 -1.402 0.000 0.919 357 G HN 0.854 nan 8.290 nan 0.000 0.486 358 Y N -0.656 119.219 120.300 -0.709 0.000 4.134 358 Y HA -0.247 4.303 4.550 0.000 0.000 0.234 358 Y C 1.207 176.831 175.900 -0.460 0.000 1.200 358 Y CA 0.452 58.269 58.100 -0.470 0.000 1.958 358 Y CB -2.748 35.512 38.460 -0.333 0.000 1.605 358 Y HN 1.192 nan 8.280 nan 0.000 0.690 359 T N -4.880 109.483 114.554 -0.319 0.000 2.696 359 T HA 0.787 5.137 4.350 0.000 0.000 0.291 359 T C -0.001 174.500 174.700 -0.332 0.000 1.095 359 T CA -0.567 61.361 62.100 -0.286 0.000 1.026 359 T CB 1.052 69.857 68.868 -0.105 0.000 1.390 359 T HN -0.154 nan 8.240 nan 0.000 0.513 360 F N 1.219 121.207 119.950 0.064 0.000 2.647 360 F HA 0.278 4.805 4.527 0.000 0.000 0.300 360 F C 1.503 177.349 175.800 0.076 0.000 1.106 360 F CA -0.723 57.306 58.000 0.049 0.000 1.313 360 F CB -0.114 38.899 39.000 0.022 0.000 1.007 360 F HN 0.725 nan 8.300 nan 0.000 0.536 361 T N -0.925 113.792 114.554 0.272 0.000 2.946 361 T HA 0.176 4.526 4.350 0.000 0.000 0.311 361 T C 0.769 175.593 174.700 0.207 0.000 1.063 361 T CA -0.459 61.794 62.100 0.256 0.000 1.139 361 T CB 1.013 70.074 68.868 0.321 0.000 0.994 361 T HN 0.292 nan 8.240 nan 0.000 0.547 362 S N 2.289 118.080 115.700 0.152 0.000 2.580 362 S HA 0.242 4.712 4.470 0.000 0.000 0.261 362 S C -0.233 174.425 174.600 0.096 0.000 1.366 362 S CA -0.360 57.893 58.200 0.089 0.000 0.996 362 S CB 0.038 63.284 63.200 0.076 0.000 0.902 362 S HN 0.845 nan 8.310 nan 0.000 0.566 363 K N 0.366 120.780 120.400 0.022 0.000 2.328 363 K HA 0.755 5.075 4.320 0.000 0.000 0.246 363 K C -0.562 176.073 176.600 0.057 0.000 0.955 363 K CA -0.689 55.612 56.287 0.024 0.000 0.817 363 K CB 1.728 34.148 32.500 -0.133 0.000 1.208 363 K HN 0.768 nan 8.250 nan 0.000 0.432 364 I N -1.775 118.851 120.570 0.093 0.000 3.095 364 I HA 0.458 4.628 4.170 0.000 0.000 0.310 364 I C -1.087 175.087 176.117 0.095 0.000 1.196 364 I CA -1.388 59.965 61.300 0.088 0.000 0.985 364 I CB 1.406 39.474 38.000 0.112 0.000 1.250 364 I HN 0.329 nan 8.210 nan 0.000 0.446 365 L N 2.432 123.696 121.223 0.070 0.000 2.380 365 L HA 0.220 4.560 4.340 0.000 0.000 0.273 365 L C 0.847 177.765 176.870 0.081 0.000 1.138 365 L CA -0.139 54.750 54.840 0.082 0.000 0.832 365 L CB 0.976 43.057 42.059 0.038 0.000 1.124 365 L HN 0.705 nan 8.230 nan 0.000 0.454 366 F N 3.318 123.252 119.950 -0.027 0.000 2.126 366 F HA -0.297 4.230 4.527 0.000 0.000 0.299 366 F C 2.522 178.231 175.800 -0.151 0.000 1.096 366 F CA 2.001 59.965 58.000 -0.059 0.000 1.255 366 F CB -0.055 38.946 39.000 0.002 0.000 0.997 366 F HN 0.721 nan 8.300 nan 0.000 0.479 367 C N -0.114 119.106 119.300 -0.133 0.000 2.429 367 C HA -0.153 4.308 4.460 0.000 0.000 0.277 367 C C 2.447 177.256 174.990 -0.302 0.000 1.262 367 C CA 0.951 59.717 59.018 -0.420 0.000 1.733 367 C CB -1.438 25.876 27.740 -0.710 0.000 2.010 367 C HN 0.443 nan 8.230 nan 0.000 0.483 368 D N 1.285 121.574 120.400 -0.185 0.000 2.123 368 D HA -0.091 4.550 4.640 0.000 0.000 0.196 368 D C 2.394 178.588 176.300 -0.177 0.000 0.992 368 D CA 1.420 55.342 54.000 -0.130 0.000 0.833 368 D CB -0.415 40.350 40.800 -0.060 0.000 0.954 368 D HN 0.445 nan 8.370 nan 0.000 0.455 369 V N 0.926 120.691 119.914 -0.248 0.000 2.407 369 V HA -0.204 3.916 4.120 0.000 0.000 0.248 369 V C 2.579 178.398 176.094 -0.458 0.000 1.055 369 V CA 1.063 63.133 62.300 -0.384 0.000 1.049 369 V CB -0.370 31.153 31.823 -0.501 0.000 0.662 369 V HN 0.238 nan 8.190 nan 0.000 0.455 370 L N -0.841 120.088 121.223 -0.489 0.000 2.093 370 L HA -0.167 4.173 4.340 0.000 0.000 0.208 370 L C 2.752 179.476 176.870 -0.242 0.000 1.085 370 L CA 1.507 56.098 54.840 -0.414 0.000 0.755 370 L CB -0.528 41.267 42.059 -0.439 0.000 0.904 370 L HN 0.232 nan 8.230 nan 0.000 0.435 371 R N -0.072 120.314 120.500 -0.191 0.000 2.073 371 R HA -0.157 4.183 4.340 0.000 0.000 0.234 371 R C 2.460 178.727 176.300 -0.054 0.000 1.134 371 R CA 1.587 57.626 56.100 -0.102 0.000 0.952 371 R CB -0.477 29.777 30.300 -0.078 0.000 0.850 371 R HN 0.354 nan 8.270 nan 0.000 0.433 372 A N 0.766 123.554 122.820 -0.054 0.000 1.902 372 A HA -0.162 4.159 4.320 0.000 0.000 0.217 372 A C 2.139 179.760 177.584 0.063 0.000 1.181 372 A CA 1.375 53.438 52.037 0.044 0.000 0.623 372 A CB -0.543 18.453 19.000 -0.007 0.000 0.818 372 A HN 0.242 nan 8.150 nan 0.000 0.443 373 I N -1.132 119.383 120.570 -0.092 0.000 2.252 373 I HA -0.228 3.942 4.170 0.000 0.000 0.245 373 I C 2.711 178.772 176.117 -0.093 0.000 1.102 373 I CA 1.485 62.718 61.300 -0.111 0.000 1.385 373 I CB -0.373 37.492 38.000 -0.226 0.000 1.064 373 I HN 0.392 nan 8.210 nan 0.000 0.414 374 R N 1.168 121.614 120.500 -0.091 0.000 2.091 374 R HA -0.220 4.120 4.340 0.000 0.000 0.238 374 R C 1.649 177.914 176.300 -0.058 0.000 1.136 374 R CA 2.172 58.231 56.100 -0.068 0.000 0.959 374 R CB -0.233 30.035 30.300 -0.052 0.000 0.856 374 R HN 0.329 nan 8.270 nan 0.000 0.437 375 D N -0.905 119.471 120.400 -0.039 0.000 2.224 375 D HA -0.130 4.511 4.640 0.000 0.000 0.205 375 D C 0.807 176.918 176.300 -0.315 0.000 0.965 375 D CA 1.217 55.127 54.000 -0.150 0.000 0.852 375 D CB 0.031 40.743 40.800 -0.146 0.000 0.947 375 D HN 0.381 nan 8.370 nan 0.000 0.494 376 Y N -0.178 120.075 120.300 -0.079 0.000 2.500 376 Y HA 0.414 4.964 4.550 0.000 0.000 0.246 376 Y C 1.957 177.766 175.900 -0.151 0.000 1.146 376 Y CA -0.331 57.724 58.100 -0.075 0.000 1.230 376 Y CB 0.170 38.601 38.460 -0.048 0.000 1.214 376 Y HN -0.136 nan 8.280 nan 0.000 0.526 377 A N 0.150 122.860 122.820 -0.183 0.000 1.917 377 A HA -0.205 4.115 4.320 0.000 0.000 0.219 377 A C 1.133 178.319 177.584 -0.662 0.000 1.182 377 A CA 1.987 53.693 52.037 -0.553 0.000 0.633 377 A CB -0.818 17.595 19.000 -0.979 0.000 0.819 377 A HN 0.397 nan 8.150 nan 0.000 0.448 378 F N -1.101 118.863 119.950 0.023 0.000 2.654 378 F HA 0.269 4.796 4.527 0.000 0.000 0.303 378 F C 1.521 177.327 175.800 0.010 0.000 1.099 378 F CA -0.062 57.944 58.000 0.010 0.000 1.270 378 F CB 0.062 39.047 39.000 -0.024 0.000 1.024 378 F HN 0.231 nan 8.300 nan 0.000 0.548 379 K N 1.429 121.898 120.400 0.114 0.000 2.097 379 K HA -0.115 4.205 4.320 0.000 0.000 0.206 379 K C 1.969 178.635 176.600 0.111 0.000 1.049 379 K CA 1.757 58.100 56.287 0.094 0.000 0.933 379 K CB -0.068 32.498 32.500 0.110 0.000 0.717 379 K HN 0.202 nan 8.250 nan 0.000 0.442 380 A N -0.368 122.526 122.820 0.123 0.000 2.115 380 A HA 0.181 4.501 4.320 0.000 0.000 0.211 380 A C 0.692 178.360 177.584 0.140 0.000 1.169 380 A CA 0.398 52.506 52.037 0.119 0.000 0.787 380 A CB 0.251 19.317 19.000 0.110 0.000 0.858 380 A HN 0.278 nan 8.150 nan 0.000 0.474 381 S N -1.661 114.146 115.700 0.178 0.000 2.547 381 S HA 0.520 4.990 4.470 0.000 0.000 0.270 381 S C -2.815 171.936 174.600 0.252 0.000 1.150 381 S CA -0.605 57.726 58.200 0.219 0.000 0.850 381 S CB 1.860 65.228 63.200 0.281 0.000 1.118 381 S HN -0.047 nan 8.310 nan 0.000 0.461 382 P HA 0.207 nan 4.420 nan 0.000 0.264 382 P C -0.291 176.855 177.300 -0.257 0.000 1.259 382 P CA 0.060 63.049 63.100 -0.184 0.000 0.841 382 P CB -0.036 31.401 31.700 -0.439 0.000 1.232 383 Y N 2.792 123.209 120.300 0.195 0.000 2.379 383 Y HA 0.209 4.759 4.550 0.000 0.000 0.337 383 Y C -1.372 174.761 175.900 0.388 0.000 1.238 383 Y CA -2.520 55.696 58.100 0.194 0.000 1.405 383 Y CB -0.886 37.697 38.460 0.205 0.000 1.310 383 Y HN -0.062 nan 8.280 nan 0.000 0.569 384 P HA -0.056 nan 4.420 nan 0.000 0.264 384 P C -0.719 176.814 177.300 0.388 0.000 1.183 384 P CA 0.293 63.632 63.100 0.397 0.000 0.763 384 P CB 0.681 32.502 31.700 0.201 0.000 0.807 385 V N 5.572 125.639 119.914 0.255 0.000 2.427 385 V HA 0.330 4.450 4.120 0.000 0.000 0.286 385 V C 0.684 176.841 176.094 0.105 0.000 1.034 385 V CA -0.558 61.798 62.300 0.093 0.000 0.893 385 V CB 1.142 32.911 31.823 -0.091 0.000 0.982 385 V HN 0.375 nan 8.190 nan 0.000 0.452 386 I N 5.767 126.394 120.570 0.095 0.000 2.378 386 I HA 0.415 4.585 4.170 0.000 0.000 0.291 386 I C -0.542 175.616 176.117 0.067 0.000 0.992 386 I CA -0.469 60.893 61.300 0.103 0.000 1.154 386 I CB 1.590 39.669 38.000 0.131 0.000 1.315 386 I HN 0.309 nan 8.210 nan 0.000 0.448 387 L N 5.324 126.586 121.223 0.065 0.000 2.265 387 L HA 0.320 4.660 4.340 0.000 0.000 0.289 387 L C 0.383 177.296 176.870 0.072 0.000 1.033 387 L CA -0.263 54.610 54.840 0.054 0.000 0.814 387 L CB 1.408 43.486 42.059 0.031 0.000 1.203 387 L HN 0.575 nan 8.230 nan 0.000 0.423 388 S N 5.674 121.420 115.700 0.077 0.000 2.399 388 S HA 0.467 4.938 4.470 0.000 0.000 0.301 388 S C -0.299 174.341 174.600 0.067 0.000 1.093 388 S CA -0.673 57.570 58.200 0.073 0.000 1.077 388 S CB -0.084 63.162 63.200 0.077 0.000 0.980 388 S HN 0.445 nan 8.310 nan 0.000 0.494 389 L N 4.680 125.931 121.223 0.047 0.000 2.276 389 L HA 0.491 4.831 4.340 0.000 0.000 0.286 389 L C 0.570 177.419 176.870 -0.034 0.000 1.061 389 L CA -0.329 54.530 54.840 0.031 0.000 0.807 389 L CB 1.038 43.111 42.059 0.024 0.000 1.177 389 L HN 0.641 nan 8.230 nan 0.000 0.429 390 E N 3.648 123.820 120.200 -0.047 0.000 2.063 390 E HA 0.117 4.467 4.350 0.000 0.000 0.265 390 E C -0.842 175.580 176.600 -0.295 0.000 0.919 390 E CA -0.606 55.713 56.400 -0.135 0.000 0.756 390 E CB 0.817 30.510 29.700 -0.012 0.000 1.120 390 E HN 0.430 nan 8.360 nan 0.000 0.414 391 N N 2.856 121.291 118.700 -0.441 0.000 2.414 391 N HA 0.071 4.812 4.740 0.000 0.000 0.256 391 N C -0.604 174.398 175.510 -0.846 0.000 1.029 391 N CA 0.012 52.758 53.050 -0.507 0.000 0.948 391 N CB 0.503 38.793 38.487 -0.328 0.000 1.102 391 N HN 0.545 nan 8.380 nan 0.000 0.496 392 H N 1.462 120.134 119.070 -0.662 0.000 2.767 392 H HA 0.224 4.780 4.556 0.000 0.000 0.260 392 H C -0.077 174.977 175.328 -0.457 0.000 1.172 392 H CA -0.334 55.240 56.048 -0.791 0.000 1.048 392 H CB 0.169 28.709 29.762 -2.037 0.000 1.697 392 H HN 0.392 nan 8.280 nan 0.000 0.606 393 C N 2.397 121.535 119.300 -0.271 0.000 2.534 393 C HA 0.289 4.749 4.460 0.000 0.000 0.385 393 C C 1.515 176.443 174.990 -0.103 0.000 1.264 393 C CA -0.265 58.665 59.018 -0.146 0.000 2.342 393 C CB 0.850 28.483 27.740 -0.179 0.000 2.564 393 C HN 0.641 nan 8.230 nan 0.000 0.603 394 S N 2.470 118.140 115.700 -0.051 0.000 2.617 394 S HA 0.199 4.669 4.470 0.000 0.000 0.259 394 S C 1.089 175.651 174.600 -0.062 0.000 1.301 394 S CA -0.346 57.831 58.200 -0.039 0.000 0.984 394 S CB 0.221 63.413 63.200 -0.013 0.000 0.954 394 S HN 0.648 nan 8.310 nan 0.000 0.572 395 L N 0.113 121.305 121.223 -0.052 0.000 2.046 395 L HA -0.108 4.232 4.340 0.000 0.000 0.208 395 L C 2.976 179.809 176.870 -0.062 0.000 1.077 395 L CA 2.127 56.932 54.840 -0.059 0.000 0.747 395 L CB -0.806 41.225 42.059 -0.046 0.000 0.896 395 L HN 0.845 nan 8.230 nan 0.000 0.432 396 E N 0.307 120.476 120.200 -0.051 0.000 2.047 396 E HA -0.223 4.127 4.350 0.000 0.000 0.191 396 E C 2.159 178.717 176.600 -0.071 0.000 0.987 396 E CA 1.423 57.791 56.400 -0.053 0.000 0.799 396 E CB -0.078 29.599 29.700 -0.037 0.000 0.752 396 E HN 0.374 nan 8.360 nan 0.000 0.449 397 Q N -0.227 119.530 119.800 -0.071 0.000 2.224 397 Q HA -0.144 4.196 4.340 0.000 0.000 0.203 397 Q C 2.225 178.134 176.000 -0.152 0.000 0.970 397 Q CA 1.197 56.943 55.803 -0.094 0.000 0.865 397 Q CB -0.056 28.642 28.738 -0.066 0.000 0.922 397 Q HN 0.512 nan 8.270 nan 0.000 0.445 398 Q N 0.241 119.956 119.800 -0.142 0.000 2.119 398 Q HA -0.119 4.221 4.340 0.000 0.000 0.201 398 Q C 2.053 177.968 176.000 -0.143 0.000 0.972 398 Q CA 0.881 56.585 55.803 -0.165 0.000 0.847 398 Q CB -0.041 28.617 28.738 -0.133 0.000 0.903 398 Q HN 0.302 nan 8.270 nan 0.000 0.433 399 R N -0.014 120.418 120.500 -0.113 0.000 2.081 399 R HA -0.105 4.235 4.340 0.000 0.000 0.235 399 R C 2.346 178.571 176.300 -0.125 0.000 1.131 399 R CA 1.296 57.337 56.100 -0.099 0.000 0.960 399 R CB -0.364 29.888 30.300 -0.079 0.000 0.856 399 R HN 0.102 nan 8.270 nan 0.000 0.436 400 V N 1.400 121.223 119.914 -0.151 0.000 2.392 400 V HA -0.299 3.821 4.120 0.000 0.000 0.249 400 V C 2.353 178.312 176.094 -0.225 0.000 1.059 400 V CA 1.794 63.961 62.300 -0.222 0.000 1.051 400 V CB -0.427 31.291 31.823 -0.174 0.000 0.658 400 V HN 0.322 nan 8.190 nan 0.000 0.455 401 M N -0.044 119.426 119.600 -0.217 0.000 2.065 401 M HA -0.199 4.281 4.480 0.000 0.000 0.259 401 M C 2.446 178.773 176.300 0.045 0.000 1.071 401 M CA 2.387 57.530 55.300 -0.262 0.000 1.109 401 M CB -0.648 31.624 32.600 -0.548 0.000 1.313 401 M HN 0.392 nan 8.290 nan 0.000 0.408 402 A N 0.216 123.020 122.820 -0.027 0.000 1.948 402 A HA -0.211 4.109 4.320 0.000 0.000 0.220 402 A C 2.107 179.712 177.584 0.036 0.000 1.177 402 A CA 1.884 53.933 52.037 0.020 0.000 0.636 402 A CB -0.710 18.278 19.000 -0.020 0.000 0.815 402 A HN 0.451 nan 8.150 nan 0.000 0.449 403 R N -1.670 118.813 120.500 -0.028 0.000 2.073 403 R HA -0.123 4.217 4.340 0.000 0.000 0.234 403 R C 2.274 178.600 176.300 0.044 0.000 1.134 403 R CA 1.514 57.586 56.100 -0.046 0.000 0.952 403 R CB -0.490 29.714 30.300 -0.161 0.000 0.850 403 R HN 0.622 nan 8.270 nan 0.000 0.433 404 H N 0.791 119.927 119.070 0.109 0.000 2.319 404 H HA -0.112 4.444 4.556 0.000 0.000 0.299 404 H C 2.212 177.606 175.328 0.110 0.000 1.092 404 H CA 1.388 57.520 56.048 0.140 0.000 1.302 404 H CB -0.421 29.513 29.762 0.287 0.000 1.373 404 H HN 0.136 nan 8.280 nan 0.000 0.497 405 L N 0.050 121.451 121.223 0.297 0.000 1.971 405 L HA -0.253 4.087 4.340 0.000 0.000 0.215 405 L C 2.915 179.845 176.870 0.100 0.000 1.072 405 L CA 1.561 56.503 54.840 0.170 0.000 0.758 405 L CB -0.346 41.818 42.059 0.174 0.000 0.889 405 L HN 0.166 nan 8.230 nan 0.000 0.433 406 R N -0.660 119.894 120.500 0.089 0.000 2.070 406 R HA -0.154 4.186 4.340 0.000 0.000 0.233 406 R C 2.342 178.676 176.300 0.056 0.000 1.137 406 R CA 1.480 57.614 56.100 0.058 0.000 0.945 406 R CB -0.356 29.968 30.300 0.041 0.000 0.845 406 R HN 0.398 nan 8.270 nan 0.000 0.430 407 A N 0.469 123.332 122.820 0.072 0.000 1.933 407 A HA -0.123 4.197 4.320 0.000 0.000 0.218 407 A C 2.038 179.657 177.584 0.059 0.000 1.175 407 A CA 1.277 53.355 52.037 0.068 0.000 0.628 407 A CB -0.318 18.736 19.000 0.091 0.000 0.814 407 A HN 0.269 nan 8.150 nan 0.000 0.444 408 I N -1.414 119.194 120.570 0.063 0.000 2.494 408 I HA -0.065 4.105 4.170 0.000 0.000 0.250 408 I C 1.941 178.063 176.117 0.009 0.000 1.112 408 I CA 0.375 61.688 61.300 0.022 0.000 1.438 408 I CB -0.121 37.871 38.000 -0.013 0.000 1.111 408 I HN 0.160 nan 8.210 nan 0.000 0.431 409 L N 0.700 121.932 121.223 0.016 0.000 2.179 409 L HA 0.148 4.488 4.340 0.000 0.000 0.208 409 L C 1.751 178.641 176.870 0.033 0.000 1.096 409 L CA 1.384 56.236 54.840 0.019 0.000 0.779 409 L CB -1.649 40.424 42.059 0.023 0.000 0.922 409 L HN 0.413 nan 8.230 nan 0.000 0.443 410 G N 0.523 109.343 108.800 0.034 0.000 2.634 410 G HA2 -0.359 3.601 3.960 0.000 0.000 0.309 410 G HA3 -0.359 3.601 3.960 0.000 0.000 0.309 410 G C -1.162 173.758 174.900 0.034 0.000 1.265 410 G CA 0.426 45.545 45.100 0.031 0.000 0.998 410 G HN 0.264 nan 8.290 nan 0.000 0.551 411 P HA 0.019 nan 4.420 nan 0.000 0.222 411 P C 2.021 179.344 177.300 0.039 0.000 1.147 411 P CA 1.625 64.741 63.100 0.027 0.000 0.790 411 P CB -0.089 31.620 31.700 0.014 0.000 0.780 412 I N -0.931 119.674 120.570 0.060 0.000 2.361 412 I HA -0.154 4.016 4.170 0.000 0.000 0.251 412 I C 1.401 177.581 176.117 0.105 0.000 1.133 412 I CA 0.319 61.681 61.300 0.102 0.000 1.413 412 I CB -0.560 37.538 38.000 0.162 0.000 1.073 412 I HN -0.046 nan 8.210 nan 0.000 0.424 413 L N 1.801 123.071 121.223 0.079 0.000 2.462 413 L HA 0.129 4.469 4.340 0.000 0.000 0.272 413 L C -0.279 176.635 176.870 0.075 0.000 1.166 413 L CA 0.105 54.990 54.840 0.076 0.000 0.880 413 L CB 0.406 42.501 42.059 0.059 0.000 1.142 413 L HN 0.029 nan 8.230 nan 0.000 0.473 414 L N 5.814 127.093 121.223 0.092 0.000 2.283 414 L HA 0.348 4.688 4.340 0.000 0.000 0.287 414 L C 0.178 177.094 176.870 0.076 0.000 1.073 414 L CA 0.346 55.244 54.840 0.098 0.000 0.822 414 L CB 0.266 42.413 42.059 0.146 0.000 1.186 414 L HN 0.845 nan 8.230 nan 0.000 0.436 415 D N 2.842 123.273 120.400 0.051 0.000 2.469 415 D HA 0.086 4.726 4.640 0.000 0.000 0.215 415 D C -0.074 176.227 176.300 0.003 0.000 1.154 415 D CA -0.101 53.914 54.000 0.024 0.000 0.832 415 D CB 0.282 41.094 40.800 0.020 0.000 1.008 415 D HN 0.574 nan 8.370 nan 0.000 0.506 416 Q N 0.220 120.028 119.800 0.014 0.000 2.391 416 Q HA 0.434 4.774 4.340 0.000 0.000 0.279 416 Q C -3.070 172.940 176.000 0.015 0.000 1.028 416 Q CA -1.776 54.023 55.803 -0.008 0.000 0.836 416 Q CB 2.432 31.171 28.738 0.001 0.000 1.414 416 Q HN -0.237 nan 8.270 nan 0.000 0.397 417 P HA 0.043 nan 4.420 nan 0.000 0.269 417 P C -0.757 176.627 177.300 0.140 0.000 1.217 417 P CA 0.111 63.226 63.100 0.025 0.000 0.783 417 P CB 0.433 32.110 31.700 -0.038 0.000 0.898 418 L N 1.072 122.459 121.223 0.273 0.000 2.421 418 L HA 0.300 4.640 4.340 0.000 0.000 0.263 418 L C 0.823 177.758 176.870 0.107 0.000 1.122 418 L CA -0.586 54.352 54.840 0.163 0.000 0.804 418 L CB 0.291 42.430 42.059 0.133 0.000 1.150 418 L HN 0.316 nan 8.230 nan 0.000 0.457 419 D N 0.432 120.867 120.400 0.058 0.000 2.312 419 D HA 0.371 5.011 4.640 0.000 0.000 0.252 419 D C 0.832 177.148 176.300 0.026 0.000 1.150 419 D CA 1.071 55.093 54.000 0.037 0.000 0.870 419 D CB 1.264 42.077 40.800 0.020 0.000 1.153 419 D HN 0.679 nan 8.370 nan 0.000 0.457 420 G N 2.293 111.108 108.800 0.025 0.000 2.195 420 G HA2 -0.207 3.753 3.960 0.000 0.000 0.246 420 G HA3 -0.207 3.753 3.960 0.000 0.000 0.246 420 G C 0.101 175.001 174.900 0.000 0.000 0.984 420 G CA 0.204 45.308 45.100 0.007 0.000 0.633 420 G HN 0.571 nan 8.290 nan 0.000 0.525 421 V N 2.312 122.244 119.914 0.030 0.000 2.333 421 V HA 0.627 4.747 4.120 0.000 0.000 0.274 421 V C 1.085 177.223 176.094 0.074 0.000 1.028 421 V CA 0.877 63.187 62.300 0.017 0.000 0.851 421 V CB 0.972 32.815 31.823 0.035 0.000 1.000 421 V HN 0.702 nan 8.190 nan 0.000 0.456 422 T N -0.670 113.881 114.554 -0.004 0.000 3.098 422 T HA -0.018 4.332 4.350 0.000 0.000 0.256 422 T C 1.202 175.917 174.700 0.024 0.000 0.921 422 T CA 0.648 62.789 62.100 0.067 0.000 0.916 422 T CB 0.332 69.237 68.868 0.061 0.000 1.246 422 T HN 0.495 nan 8.240 nan 0.000 0.511 423 T N 1.074 115.537 114.554 -0.151 0.000 3.040 423 T HA 0.492 4.842 4.350 0.000 0.000 0.250 423 T C 0.448 174.826 174.700 -0.537 0.000 1.058 423 T CA -0.149 61.855 62.100 -0.160 0.000 0.988 423 T CB 0.273 69.103 68.868 -0.064 0.000 0.993 423 T HN 0.321 nan 8.240 nan 0.000 0.519 424 S N -0.308 114.826 115.700 -0.944 0.000 2.656 424 S HA 0.615 5.085 4.470 0.000 0.000 0.273 424 S C -1.096 172.929 174.600 -0.959 0.000 1.168 424 S CA -0.902 56.731 58.200 -0.945 0.000 0.817 424 S CB 1.167 64.142 63.200 -0.374 0.000 1.146 424 S HN 0.183 nan 8.310 nan 0.000 0.475 425 L N 2.951 123.952 121.223 -0.370 0.000 2.452 425 L HA 0.331 4.671 4.340 0.000 0.000 0.267 425 L C -1.955 174.762 176.870 -0.255 0.000 1.188 425 L CA -1.392 53.392 54.840 -0.093 0.000 0.821 425 L CB 0.063 42.190 42.059 0.113 0.000 1.102 425 L HN 0.406 nan 8.230 nan 0.000 0.470 426 P HA 0.050 nan 4.420 nan 0.000 0.272 426 P C -0.783 176.380 177.300 -0.228 0.000 1.254 426 P CA -0.437 62.459 63.100 -0.340 0.000 0.795 426 P CB 0.538 31.949 31.700 -0.482 0.000 1.022 427 S N -0.790 114.794 115.700 -0.193 0.000 2.730 427 S HA 0.437 4.907 4.470 0.000 0.000 0.284 427 S C -1.955 172.488 174.600 -0.262 0.000 1.153 427 S CA -1.387 56.707 58.200 -0.176 0.000 0.995 427 S CB 0.730 63.857 63.200 -0.122 0.000 1.058 427 S HN 0.157 nan 8.310 nan 0.000 0.552 428 P HA -0.004 nan 4.420 nan 0.000 0.217 428 P C 1.387 178.647 177.300 -0.068 0.000 1.151 428 P CA 0.955 63.752 63.100 -0.506 0.000 0.828 428 P CB 0.059 31.097 31.700 -1.102 0.000 0.788 429 E N -0.127 120.047 120.200 -0.043 0.000 2.051 429 E HA -0.193 4.157 4.350 0.000 0.000 0.192 429 E C 2.055 178.636 176.600 -0.031 0.000 0.991 429 E CA 1.237 57.671 56.400 0.057 0.000 0.799 429 E CB -0.519 29.194 29.700 0.021 0.000 0.748 429 E HN 0.393 nan 8.360 nan 0.000 0.449 430 Q N -0.147 119.610 119.800 -0.072 0.000 2.226 430 Q HA -0.058 4.282 4.340 0.000 0.000 0.204 430 Q C 1.784 177.737 176.000 -0.078 0.000 0.975 430 Q CA 0.743 56.498 55.803 -0.080 0.000 0.866 430 Q CB 0.056 28.731 28.738 -0.105 0.000 0.915 430 Q HN 0.197 nan 8.270 nan 0.000 0.440 431 L N 0.003 121.176 121.223 -0.084 0.000 2.667 431 L HA 0.145 4.485 4.340 0.000 0.000 0.232 431 L C 0.281 177.124 176.870 -0.045 0.000 1.138 431 L CA -0.265 54.543 54.840 -0.054 0.000 0.921 431 L CB 0.249 42.273 42.059 -0.058 0.000 1.180 431 L HN -0.049 nan 8.230 nan 0.000 0.487 432 K N 0.928 121.272 120.400 -0.092 0.000 2.550 432 K HA 0.030 4.350 4.320 0.000 0.000 0.280 432 K C 1.239 177.661 176.600 -0.298 0.000 0.987 432 K CA 1.076 57.231 56.287 -0.219 0.000 1.048 432 K CB 0.270 32.600 32.500 -0.283 0.000 0.879 432 K HN 0.301 nan 8.250 nan 0.000 0.491 433 G N 2.524 110.987 108.800 -0.563 0.000 2.168 433 G HA2 -0.238 3.723 3.960 0.000 0.000 0.263 433 G HA3 -0.238 3.723 3.960 0.000 0.000 0.263 433 G C -0.224 174.462 174.900 -0.356 0.000 0.977 433 G CA 0.352 44.904 45.100 -0.914 0.000 0.659 433 G HN 0.470 nan 8.290 nan 0.000 0.533 434 K N -0.122 120.282 120.400 0.007 0.000 2.156 434 K HA 0.730 5.051 4.320 0.000 0.000 0.250 434 K C 0.061 176.868 176.600 0.346 0.000 0.955 434 K CA -0.890 55.511 56.287 0.189 0.000 0.855 434 K CB 1.944 34.505 32.500 0.102 0.000 1.101 434 K HN 0.214 nan 8.250 nan 0.000 0.434 435 I N 3.855 124.573 120.570 0.247 0.000 2.362 435 I HA 0.302 4.472 4.170 0.000 0.000 0.289 435 I C -0.099 176.099 176.117 0.134 0.000 0.994 435 I CA -0.897 60.502 61.300 0.166 0.000 1.158 435 I CB 0.977 39.032 38.000 0.091 0.000 1.315 435 I HN 0.340 nan 8.210 nan 0.000 0.451 436 L N 5.084 126.390 121.223 0.138 0.000 2.319 436 L HA 0.734 5.074 4.340 0.000 0.000 0.267 436 L C -1.104 175.838 176.870 0.120 0.000 1.011 436 L CA -0.975 53.951 54.840 0.143 0.000 0.818 436 L CB 1.561 43.737 42.059 0.195 0.000 1.316 436 L HN 0.377 nan 8.230 nan 0.000 0.432 437 L N 1.730 123.019 121.223 0.111 0.000 2.325 437 L HA 0.578 4.919 4.340 0.000 0.000 0.279 437 L C -0.176 176.751 176.870 0.096 0.000 1.054 437 L CA -0.514 54.379 54.840 0.089 0.000 0.804 437 L CB 1.583 43.684 42.059 0.069 0.000 1.200 437 L HN 0.688 nan 8.230 nan 0.000 0.436 438 K N 1.669 122.119 120.400 0.084 0.000 2.345 438 K HA 0.780 5.101 4.320 0.000 0.000 0.255 438 K C -0.728 175.898 176.600 0.043 0.000 0.934 438 K CA -0.336 55.999 56.287 0.080 0.000 0.801 438 K CB 2.187 34.744 32.500 0.096 0.000 1.137 438 K HN 0.821 nan 8.250 nan 0.000 0.424 439 G N 2.374 111.186 108.800 0.021 0.000 2.342 439 G HA2 0.143 4.103 3.960 0.000 0.000 0.297 439 G HA3 0.143 4.103 3.960 0.000 0.000 0.297 439 G C -1.678 173.197 174.900 -0.041 0.000 1.313 439 G CA -0.917 44.170 45.100 -0.022 0.000 0.830 439 G HN 0.435 nan 8.290 nan 0.000 0.506 440 K N 0.556 120.909 120.400 -0.078 0.000 2.298 440 K HA 0.375 4.695 4.320 0.000 0.000 0.280 440 K C -0.329 176.229 176.600 -0.069 0.000 1.032 440 K CA -0.221 56.012 56.287 -0.090 0.000 0.958 440 K CB 1.860 34.286 32.500 -0.122 0.000 0.978 440 K HN 0.465 nan 8.250 nan 0.000 0.472 441 K N 3.270 123.636 120.400 -0.057 0.000 2.316 441 K HA 0.283 4.603 4.320 0.000 0.000 0.251 441 K C -0.413 176.159 176.600 -0.047 0.000 0.934 441 K CA -0.721 55.538 56.287 -0.046 0.000 0.802 441 K CB 1.113 33.594 32.500 -0.031 0.000 1.171 441 K HN 0.478 nan 8.250 nan 0.000 0.426 442 L N 3.106 124.301 121.223 -0.046 0.000 2.601 442 L HA 0.009 4.349 4.340 0.000 0.000 0.277 442 L C 1.097 177.947 176.870 -0.034 0.000 1.219 442 L CA 0.064 54.880 54.840 -0.042 0.000 0.915 442 L CB 0.104 42.138 42.059 -0.041 0.000 1.160 442 L HN 0.820 nan 8.230 nan 0.000 0.494 443 G N 2.818 111.600 108.800 -0.029 0.000 2.474 443 G HA2 0.303 4.263 3.960 0.000 0.000 0.233 443 G HA3 0.303 4.263 3.960 0.000 0.000 0.233 443 G C 0.480 175.368 174.900 -0.019 0.000 1.278 443 G CA 0.153 45.241 45.100 -0.020 0.000 0.861 443 G HN 0.827 nan 8.290 nan 0.000 0.567 444 G N 0.173 108.966 108.800 -0.012 0.000 3.019 444 G HA2 0.501 4.462 3.960 0.000 0.000 0.152 444 G HA3 0.501 4.462 3.960 0.000 0.000 0.152 444 G C 0.549 175.446 174.900 -0.006 0.000 1.320 444 G CA -1.030 44.062 45.100 -0.013 0.000 1.013 444 G HN 0.636 nan 8.290 nan 0.000 0.593 485 K N 1.488 121.869 120.400 -0.031 0.000 2.360 485 K HA -0.028 4.292 4.320 0.000 0.000 0.201 485 K C 1.373 177.955 176.600 -0.031 0.000 1.046 485 K CA 1.390 57.658 56.287 -0.031 0.000 0.940 485 K CB -0.197 32.287 32.500 -0.026 0.000 0.748 485 K HN 0.259 nan 8.250 nan 0.000 0.465 486 L N -0.022 121.184 121.223 -0.029 0.000 2.640 486 L HA 0.224 4.565 4.340 0.000 0.000 0.230 486 L C 1.548 178.399 176.870 -0.032 0.000 1.123 486 L CA 0.158 54.982 54.840 -0.026 0.000 0.900 486 L CB 0.243 42.291 42.059 -0.019 0.000 1.146 486 L HN 0.023 nan 8.230 nan 0.000 0.484 487 K N -0.389 119.987 120.400 -0.040 0.000 2.462 487 K HA 0.394 4.714 4.320 0.000 0.000 0.201 487 K C 0.088 176.647 176.600 -0.069 0.000 1.268 487 K CA 0.064 56.319 56.287 -0.052 0.000 0.933 487 K CB 1.151 33.621 32.500 -0.050 0.000 1.162 487 K HN 0.017 nan 8.250 nan 0.000 0.527 488 L N 2.191 123.376 121.223 -0.064 0.000 2.385 488 L HA 0.354 4.694 4.340 0.000 0.000 0.273 488 L C -0.710 176.122 176.870 -0.062 0.000 0.990 488 L CA -1.185 53.611 54.840 -0.072 0.000 0.821 488 L CB 2.285 44.302 42.059 -0.070 0.000 1.279 488 L HN -0.154 nan 8.230 nan 0.000 0.412 489 V N 1.345 121.219 119.914 -0.067 0.000 2.567 489 V HA 0.440 4.560 4.120 0.000 0.000 0.289 489 V C -2.107 173.955 176.094 -0.053 0.000 1.049 489 V CA -1.315 60.951 62.300 -0.057 0.000 0.969 489 V CB 1.160 32.947 31.823 -0.060 0.000 0.995 489 V HN 0.612 nan 8.190 nan 0.000 0.471 490 P HA -0.079 nan 4.420 nan 0.000 0.218 490 P C 1.361 178.637 177.300 -0.040 0.000 1.148 490 P CA 1.329 64.404 63.100 -0.041 0.000 0.822 490 P CB 0.269 31.947 31.700 -0.037 0.000 0.784 491 E N -0.968 119.208 120.200 -0.040 0.000 2.097 491 E HA -0.179 4.171 4.350 0.000 0.000 0.196 491 E C 1.828 178.409 176.600 -0.032 0.000 1.000 491 E CA 1.011 57.390 56.400 -0.035 0.000 0.804 491 E CB -0.735 28.941 29.700 -0.040 0.000 0.740 491 E HN 0.115 nan 8.360 nan 0.000 0.454 492 L N -0.328 120.870 121.223 -0.041 0.000 2.121 492 L HA 0.044 4.384 4.340 0.000 0.000 0.200 492 L C 2.307 179.155 176.870 -0.036 0.000 1.077 492 L CA 1.497 56.315 54.840 -0.037 0.000 0.766 492 L CB -1.199 40.824 42.059 -0.061 0.000 0.931 492 L HN 0.135 nan 8.230 nan 0.000 0.452 493 S N -0.075 115.598 115.700 -0.046 0.000 2.402 493 S HA -0.212 4.259 4.470 0.000 0.000 0.233 493 S C 1.398 175.971 174.600 -0.044 0.000 1.030 493 S CA 1.752 59.924 58.200 -0.047 0.000 1.003 493 S CB -0.207 62.963 63.200 -0.051 0.000 0.813 493 S HN 0.442 nan 8.310 nan 0.000 0.477 494 D N 0.523 120.898 120.400 -0.042 0.000 2.348 494 D HA 0.067 4.707 4.640 0.000 0.000 0.216 494 D C 1.500 177.775 176.300 -0.041 0.000 0.970 494 D CA 0.690 54.663 54.000 -0.045 0.000 0.889 494 D CB -0.202 40.574 40.800 -0.040 0.000 0.912 494 D HN 0.503 nan 8.370 nan 0.000 0.524 495 M N -0.021 119.564 119.600 -0.026 0.000 2.556 495 M HA 0.056 4.536 4.480 0.000 0.000 0.245 495 M C -0.102 176.193 176.300 -0.009 0.000 1.128 495 M CA 0.179 55.473 55.300 -0.010 0.000 1.069 495 M CB 0.808 33.416 32.600 0.012 0.000 1.469 495 M HN -0.196 nan 8.290 nan 0.000 0.494 496 I N 1.516 122.072 120.570 -0.024 0.000 2.308 496 I HA 0.064 4.234 4.170 0.000 0.000 0.293 496 I C 0.725 176.801 176.117 -0.068 0.000 1.078 496 I CA 0.108 61.397 61.300 -0.017 0.000 1.292 496 I CB 0.043 38.034 38.000 -0.014 0.000 1.423 496 I HN 0.149 nan 8.210 nan 0.000 0.493 497 I N 5.210 125.726 120.570 -0.090 0.000 3.132 497 I HA -0.037 4.133 4.170 0.000 0.000 0.255 497 I C 1.509 177.409 176.117 -0.362 0.000 1.118 497 I CA 1.180 62.298 61.300 -0.304 0.000 1.463 497 I CB -0.840 36.890 38.000 -0.450 0.000 1.356 497 I HN 0.398 nan 8.210 nan 0.000 0.463 498 Y N 0.271 120.638 120.300 0.112 0.000 2.449 498 Y HA 0.198 4.749 4.550 0.000 0.000 0.254 498 Y C 0.955 176.971 175.900 0.193 0.000 1.140 498 Y CA -0.313 57.901 58.100 0.191 0.000 1.272 498 Y CB 0.164 38.758 38.460 0.223 0.000 1.114 498 Y HN 0.087 nan 8.280 nan 0.000 0.525 499 C N 1.747 121.195 119.300 0.246 0.000 3.169 499 C HA 0.271 4.731 4.460 0.000 0.000 0.232 499 C C 0.163 175.226 174.990 0.121 0.000 1.316 499 C CA -1.486 57.648 59.018 0.192 0.000 1.545 499 C CB -1.042 26.811 27.740 0.187 0.000 1.785 499 C HN 0.136 nan 8.230 nan 0.000 0.454 500 K N 1.831 122.301 120.400 0.116 0.000 2.316 500 K HA 0.223 4.543 4.320 0.000 0.000 0.289 500 K C 0.334 176.952 176.600 0.031 0.000 1.070 500 K CA 0.305 56.631 56.287 0.065 0.000 0.928 500 K CB 0.648 33.205 32.500 0.095 0.000 1.039 500 K HN 0.540 nan 8.250 nan 0.000 0.480 501 S N 3.394 119.092 115.700 -0.003 0.000 2.516 501 S HA 0.174 4.644 4.470 0.000 0.000 0.282 501 S C -0.456 174.085 174.600 -0.100 0.000 1.286 501 S CA -0.523 57.656 58.200 -0.035 0.000 1.066 501 S CB 0.376 63.540 63.200 -0.061 0.000 0.884 501 S HN 0.421 nan 8.310 nan 0.000 0.491 502 V N 5.107 124.965 119.914 -0.094 0.000 3.130 502 V HA 0.434 4.555 4.120 0.000 0.000 0.310 502 V C -0.984 175.027 176.094 -0.139 0.000 1.158 502 V CA -0.941 61.277 62.300 -0.138 0.000 1.029 502 V CB 2.258 34.058 31.823 -0.037 0.000 1.057 502 V HN 0.877 nan 8.190 nan 0.000 0.436 503 H N 1.896 120.950 119.070 -0.027 0.000 2.502 503 H HA 0.316 4.872 4.556 0.000 0.000 0.327 503 H C -0.338 174.966 175.328 -0.039 0.000 1.099 503 H CA -0.514 55.506 56.048 -0.047 0.000 1.323 503 H CB 1.066 30.796 29.762 -0.054 0.000 1.450 503 H HN 0.500 nan 8.280 nan 0.000 0.502 504 F N 2.552 122.436 119.950 -0.110 0.000 2.590 504 F HA 0.082 4.609 4.527 0.000 0.000 0.389 504 F C 1.109 176.836 175.800 -0.122 0.000 1.049 504 F CA 0.149 58.041 58.000 -0.180 0.000 1.199 504 F CB 0.385 39.195 39.000 -0.316 0.000 1.058 504 F HN 0.620 nan 8.300 nan 0.000 0.556 505 G N 3.318 111.640 108.800 -0.798 0.000 2.524 505 G HA2 0.465 4.425 3.960 0.000 0.000 0.210 505 G HA3 0.465 4.425 3.960 0.000 0.000 0.210 505 G C 0.399 174.570 174.900 -1.214 0.000 1.187 505 G CA 0.446 45.114 45.100 -0.719 0.000 0.825 505 G HN 1.285 nan 8.290 nan 0.000 0.558 506 G N -1.649 106.201 108.800 -1.583 0.000 2.321 506 G HA2 0.385 4.346 3.960 0.000 0.000 0.298 506 G HA3 0.385 4.346 3.960 0.000 0.000 0.298 506 G C -1.673 172.958 174.900 -0.448 0.000 1.385 506 G CA -1.050 43.289 45.100 -1.268 0.000 0.856 506 G HN 0.147 nan 8.290 nan 0.000 0.584 507 F N 1.857 121.856 119.950 0.082 0.000 2.411 507 F HA 0.704 5.231 4.527 0.000 0.000 0.355 507 F C 1.086 176.936 175.800 0.082 0.000 1.117 507 F CA -0.799 57.285 58.000 0.139 0.000 1.139 507 F CB 1.587 40.674 39.000 0.146 0.000 1.120 507 F HN 0.591 nan 8.300 nan 0.000 0.493 508 S N 1.974 117.833 115.700 0.266 0.000 2.767 508 S HA 0.901 5.371 4.470 0.000 0.000 0.300 508 S C -0.297 174.408 174.600 0.174 0.000 1.123 508 S CA 0.030 58.326 58.200 0.159 0.000 0.992 508 S CB 1.854 65.117 63.200 0.105 0.000 1.138 508 S HN 1.228 nan 8.310 nan 0.000 0.550 509 S N 0.371 116.145 115.700 0.122 0.000 2.862 509 S HA 0.295 4.765 4.470 0.000 0.000 0.291 509 S C -3.551 171.097 174.600 0.080 0.000 0.772 509 S CA -1.073 57.190 58.200 0.106 0.000 0.762 509 S CB -0.900 62.370 63.200 0.117 0.000 0.963 509 S HN 0.731 nan 8.310 nan 0.000 0.537 510 P HA 0.614 nan 4.420 nan 0.000 0.227 510 P C 0.260 177.604 177.300 0.073 0.000 1.815 510 P CA -0.045 63.102 63.100 0.078 0.000 1.134 510 P CB 0.648 32.389 31.700 0.068 0.000 1.795 511 G N 0.063 108.911 108.800 0.080 0.000 3.211 511 G HA2 0.438 4.398 3.960 0.000 0.000 0.262 511 G HA3 0.438 4.398 3.960 0.000 0.000 0.262 511 G C 0.240 175.183 174.900 0.072 0.000 1.352 511 G CA -0.520 44.621 45.100 0.068 0.000 1.004 511 G HN 0.208 nan 8.290 nan 0.000 0.559 512 T N -2.299 112.287 114.554 0.055 0.000 3.366 512 T HA 0.241 4.591 4.350 0.000 0.000 0.249 512 T C 1.384 176.106 174.700 0.036 0.000 1.028 512 T CA 0.781 62.910 62.100 0.049 0.000 0.938 512 T CB 0.408 69.299 68.868 0.039 0.000 1.046 512 T HN 0.392 nan 8.240 nan 0.000 0.587 513 S N 0.493 116.218 115.700 0.043 0.000 2.510 513 S HA 0.359 4.829 4.470 0.000 0.000 0.230 513 S C 1.534 176.157 174.600 0.039 0.000 1.066 513 S CA 0.182 58.390 58.200 0.013 0.000 0.941 513 S CB -0.618 62.575 63.200 -0.012 0.000 0.829 513 S HN 0.699 nan 8.310 nan 0.000 0.530 514 G N 3.345 112.220 108.800 0.125 0.000 2.404 514 G HA2 0.373 4.334 3.960 0.000 0.000 0.289 514 G HA3 0.373 4.334 3.960 0.000 0.000 0.289 514 G C -0.065 174.957 174.900 0.204 0.000 1.074 514 G CA -0.402 44.854 45.100 0.260 0.000 1.210 514 G HN 0.733 nan 8.290 nan 0.000 0.434 515 Q N 0.948 120.851 119.800 0.173 0.000 2.482 515 Q HA 0.087 4.427 4.340 0.000 0.000 0.362 515 Q C 0.794 176.769 176.000 -0.041 0.000 1.411 515 Q CA 0.746 56.582 55.803 0.054 0.000 1.048 515 Q CB -0.047 28.730 28.738 0.065 0.000 1.284 515 Q HN 0.751 nan 8.270 nan 0.000 0.467 516 A N 0.750 123.400 122.820 -0.283 0.000 2.332 516 A HA 0.382 4.703 4.320 0.000 0.000 0.258 516 A C 0.520 177.820 177.584 -0.474 0.000 1.087 516 A CA -0.127 51.615 52.037 -0.492 0.000 0.802 516 A CB -0.210 18.093 19.000 -1.162 0.000 1.042 516 A HN 0.896 nan 8.150 nan 0.000 0.489 517 F N 0.081 119.931 119.950 -0.166 0.000 2.236 517 F HA -0.250 4.277 4.527 0.000 0.000 0.302 517 F C 1.212 177.043 175.800 0.052 0.000 1.073 517 F CA 1.626 59.632 58.000 0.009 0.000 1.336 517 F CB -1.077 38.005 39.000 0.136 0.000 1.040 517 F HN 0.573 nan 8.300 nan 0.000 0.507 518 Y N -0.304 119.661 120.300 -0.558 0.000 2.532 518 Y HA 0.523 5.073 4.550 0.000 0.000 0.283 518 Y C -0.377 175.472 175.900 -0.086 0.000 1.181 518 Y CA -1.416 56.529 58.100 -0.259 0.000 1.256 518 Y CB -1.244 36.904 38.460 -0.521 0.000 1.112 518 Y HN 0.134 nan 8.280 nan 0.000 0.521 519 E N 2.082 122.048 120.200 -0.391 0.000 2.171 519 E HA 0.422 4.772 4.350 0.000 0.000 0.271 519 E C -1.256 175.364 176.600 0.033 0.000 0.916 519 E CA -0.789 55.513 56.400 -0.162 0.000 0.774 519 E CB 2.146 31.698 29.700 -0.247 0.000 1.128 519 E HN 0.318 nan 8.360 nan 0.000 0.403 520 M N 2.625 122.281 119.600 0.094 0.000 2.190 520 M HA 0.517 4.998 4.480 0.000 0.000 0.312 520 M C -1.367 175.036 176.300 0.171 0.000 0.990 520 M CA -0.494 54.912 55.300 0.178 0.000 0.927 520 M CB 1.345 34.054 32.600 0.182 0.000 1.571 520 M HN 0.643 nan 8.290 nan 0.000 0.427 521 A N 3.284 126.261 122.820 0.261 0.000 2.303 521 A HA 0.790 5.110 4.320 0.000 0.000 0.317 521 A C -0.653 176.995 177.584 0.107 0.000 1.149 521 A CA -0.489 51.622 52.037 0.123 0.000 0.822 521 A CB 0.950 20.026 19.000 0.127 0.000 1.131 521 A HN 0.779 nan 8.150 nan 0.000 0.493 522 S N 0.082 115.729 115.700 -0.087 0.000 2.501 522 S HA 0.800 5.270 4.470 0.000 0.000 0.301 522 S C -1.258 173.260 174.600 -0.136 0.000 1.096 522 S CA -0.129 58.147 58.200 0.127 0.000 1.063 522 S CB 0.565 63.914 63.200 0.247 0.000 1.042 522 S HN 0.441 nan 8.310 nan 0.000 0.494 523 F N 1.067 121.123 119.950 0.177 0.000 2.565 523 F HA 0.474 5.001 4.527 0.000 0.000 0.313 523 F C 0.685 176.167 175.800 -0.530 0.000 1.091 523 F CA -0.983 56.983 58.000 -0.056 0.000 0.915 523 F CB 1.483 40.459 39.000 -0.041 0.000 1.208 523 F HN 0.542 nan 8.300 nan 0.000 0.453 524 S N 0.416 115.789 115.700 -0.545 0.000 2.603 524 S HA 0.144 4.614 4.470 0.000 0.000 0.268 524 S C 1.195 175.479 174.600 -0.528 0.000 1.317 524 S CA -0.175 57.422 58.200 -1.004 0.000 1.012 524 S CB 1.253 64.175 63.200 -0.463 0.000 0.926 524 S HN 0.895 nan 8.310 nan 0.000 0.539 525 E N 1.687 121.515 120.200 -0.620 0.000 2.086 525 E HA -0.248 4.102 4.350 0.000 0.000 0.200 525 E C 1.718 178.143 176.600 -0.292 0.000 1.012 525 E CA 1.986 58.035 56.400 -0.585 0.000 0.812 525 E CB -0.555 28.690 29.700 -0.758 0.000 0.743 525 E HN 0.792 nan 8.360 nan 0.000 0.453 526 S N 0.740 116.328 115.700 -0.187 0.000 2.353 526 S HA -0.224 4.246 4.470 0.000 0.000 0.222 526 S C 2.043 176.615 174.600 -0.046 0.000 1.035 526 S CA 1.453 59.613 58.200 -0.067 0.000 1.025 526 S CB -0.499 62.697 63.200 -0.007 0.000 0.902 526 S HN 0.306 nan 8.310 nan 0.000 0.440 527 R N 1.725 122.201 120.500 -0.041 0.000 2.075 527 R HA 0.004 4.345 4.340 0.000 0.000 0.232 527 R C 2.424 178.738 176.300 0.023 0.000 1.126 527 R CA 1.218 57.329 56.100 0.019 0.000 0.963 527 R CB -0.684 29.661 30.300 0.075 0.000 0.858 527 R HN 0.394 nan 8.270 nan 0.000 0.435 528 A N 1.033 123.855 122.820 0.002 0.000 1.883 528 A HA -0.164 4.156 4.320 0.000 0.000 0.217 528 A C 2.193 179.788 177.584 0.019 0.000 1.186 528 A CA 1.497 53.538 52.037 0.007 0.000 0.624 528 A CB -0.682 18.281 19.000 -0.061 0.000 0.822 528 A HN 0.373 nan 8.150 nan 0.000 0.444 529 L N -1.369 119.833 121.223 -0.035 0.000 2.042 529 L HA -0.203 4.137 4.340 0.000 0.000 0.210 529 L C 2.868 179.743 176.870 0.008 0.000 1.076 529 L CA 1.673 56.502 54.840 -0.019 0.000 0.749 529 L CB -0.501 41.539 42.059 -0.033 0.000 0.893 529 L HN 0.421 nan 8.230 nan 0.000 0.432 530 R N 0.330 120.833 120.500 0.006 0.000 2.083 530 R HA -0.177 4.163 4.340 0.000 0.000 0.237 530 R C 2.364 178.679 176.300 0.025 0.000 1.137 530 R CA 1.521 57.629 56.100 0.013 0.000 0.951 530 R CB -0.336 29.971 30.300 0.011 0.000 0.851 530 R HN 0.297 nan 8.270 nan 0.000 0.434 531 L N 0.579 121.814 121.223 0.020 0.000 2.042 531 L HA -0.221 4.119 4.340 0.000 0.000 0.210 531 L C 2.398 179.348 176.870 0.134 0.000 1.076 531 L CA 1.209 56.069 54.840 0.033 0.000 0.749 531 L CB -0.337 41.618 42.059 -0.174 0.000 0.893 531 L HN 0.242 nan 8.230 nan 0.000 0.432 532 L N -0.959 120.355 121.223 0.151 0.000 2.141 532 L HA -0.186 4.154 4.340 0.000 0.000 0.209 532 L C 2.668 179.561 176.870 0.037 0.000 1.094 532 L CA 0.609 55.515 54.840 0.109 0.000 0.763 532 L CB -0.347 41.736 42.059 0.040 0.000 0.908 532 L HN 0.289 nan 8.230 nan 0.000 0.437 533 Q N 0.713 120.530 119.800 0.029 0.000 2.049 533 Q HA -0.187 4.153 4.340 0.000 0.000 0.198 533 Q C 1.860 177.867 176.000 0.012 0.000 0.971 533 Q CA 1.806 57.614 55.803 0.009 0.000 0.833 533 Q CB 0.096 28.838 28.738 0.007 0.000 0.896 533 Q HN 0.516 nan 8.270 nan 0.000 0.434 534 E N -1.128 119.091 120.200 0.032 0.000 2.276 534 E HA 0.120 4.470 4.350 0.000 0.000 0.193 534 E C 0.013 176.646 176.600 0.056 0.000 0.983 534 E CA 0.733 57.154 56.400 0.035 0.000 0.861 534 E CB 0.625 30.346 29.700 0.036 0.000 0.817 534 E HN 0.134 nan 8.360 nan 0.000 0.485 535 S N 0.004 115.761 115.700 0.094 0.000 2.569 535 S HA 0.260 4.730 4.470 0.000 0.000 0.215 535 S C 1.035 175.690 174.600 0.092 0.000 1.096 535 S CA -0.259 58.018 58.200 0.127 0.000 1.183 535 S CB 0.975 64.335 63.200 0.268 0.000 1.324 535 S HN 0.293 nan 8.310 nan 0.000 0.421 536 G N 3.390 112.208 108.800 0.030 0.000 2.529 536 G HA2 -0.345 3.615 3.960 0.000 0.000 0.219 536 G HA3 -0.345 3.615 3.960 0.000 0.000 0.219 536 G C 1.423 176.293 174.900 -0.051 0.000 1.177 536 G CA 1.267 46.358 45.100 -0.015 0.000 0.773 536 G HN 0.574 nan 8.290 nan 0.000 0.573 537 N N 1.338 119.995 118.700 -0.071 0.000 2.223 537 N HA -0.101 4.639 4.740 0.000 0.000 0.185 537 N C 2.400 177.873 175.510 -0.062 0.000 1.016 537 N CA 1.549 54.561 53.050 -0.062 0.000 0.863 537 N CB -0.438 38.017 38.487 -0.054 0.000 0.983 537 N HN 0.298 nan 8.380 nan 0.000 0.429 538 G N 0.040 108.794 108.800 -0.077 0.000 2.418 538 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 538 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 538 G C 1.325 175.773 174.900 -0.754 0.000 1.158 538 G CA 0.143 45.132 45.100 -0.186 0.000 0.771 538 G HN 0.260 nan 8.290 nan 0.000 0.545 539 F N 1.251 120.568 119.950 -1.054 0.000 2.113 539 F HA -0.024 4.504 4.527 0.000 0.000 0.297 539 F C 2.825 178.373 175.800 -0.419 0.000 1.103 539 F CA 0.390 57.751 58.000 -1.066 0.000 1.248 539 F CB -0.640 38.014 39.000 -0.576 0.000 0.999 539 F HN 0.006 nan 8.300 nan 0.000 0.475 540 V N 0.622 120.506 119.914 -0.051 0.000 2.233 540 V HA -0.338 3.783 4.120 0.000 0.000 0.247 540 V C 2.596 178.688 176.094 -0.003 0.000 1.050 540 V CA 2.289 64.576 62.300 -0.021 0.000 1.010 540 V CB -0.649 31.202 31.823 0.047 0.000 0.637 540 V HN 0.221 nan 8.190 nan 0.000 0.444 541 R N -0.794 119.707 120.500 0.001 0.000 2.105 541 R HA -0.223 4.117 4.340 0.000 0.000 0.239 541 R C 2.316 178.649 176.300 0.055 0.000 1.135 541 R CA 1.946 58.064 56.100 0.030 0.000 0.967 541 R CB -0.555 29.774 30.300 0.048 0.000 0.861 541 R HN 0.735 nan 8.270 nan 0.000 0.442 542 H N 0.591 119.635 119.070 -0.043 0.000 2.457 542 H HA 0.012 4.568 4.556 0.000 0.000 0.294 542 H C 1.246 176.652 175.328 0.131 0.000 1.064 542 H CA 1.302 57.391 56.048 0.069 0.000 1.330 542 H CB 0.071 29.846 29.762 0.021 0.000 1.395 542 H HN 0.074 nan 8.280 nan 0.000 0.541 543 N N -0.166 118.543 118.700 0.015 0.000 2.398 543 N HA -0.026 4.714 4.740 0.000 0.000 0.188 543 N C 1.497 176.975 175.510 -0.053 0.000 1.122 543 N CA 0.494 53.528 53.050 -0.027 0.000 0.866 543 N CB 0.467 38.956 38.487 0.003 0.000 0.970 543 N HN 0.239 nan 8.380 nan 0.000 0.462 544 V N 0.490 120.368 119.914 -0.060 0.000 2.358 544 V HA -0.131 3.990 4.120 0.000 0.000 0.246 544 V C 1.714 177.819 176.094 0.019 0.000 1.047 544 V CA 1.931 64.186 62.300 -0.075 0.000 1.035 544 V CB -0.258 31.526 31.823 -0.065 0.000 0.658 544 V HN 0.339 nan 8.190 nan 0.000 0.452 545 S N -3.382 112.338 115.700 0.034 0.000 2.603 545 S HA 0.223 4.694 4.470 0.000 0.000 0.232 545 S C 0.270 174.929 174.600 0.097 0.000 1.016 545 S CA -0.420 57.842 58.200 0.104 0.000 0.976 545 S CB 0.085 63.350 63.200 0.109 0.000 0.921 545 S HN 0.408 nan 8.310 nan 0.000 0.516 546 C N 2.179 121.472 119.300 -0.011 0.000 2.455 546 C HA 0.609 5.069 4.460 0.000 0.000 0.320 546 C C 0.097 175.128 174.990 0.069 0.000 1.226 546 C CA -1.077 57.938 59.018 -0.005 0.000 1.569 546 C CB 0.847 28.452 27.740 -0.224 0.000 2.200 546 C HN 0.525 nan 8.230 nan 0.000 0.491 547 L N 2.690 124.018 121.223 0.174 0.000 2.349 547 L HA 0.409 4.749 4.340 0.000 0.000 0.275 547 L C 0.273 177.331 176.870 0.312 0.000 1.115 547 L CA 0.559 55.535 54.840 0.227 0.000 0.820 547 L CB 1.014 43.215 42.059 0.238 0.000 1.135 547 L HN 0.707 nan 8.230 nan 0.000 0.445 548 S N 2.614 118.523 115.700 0.349 0.000 2.521 548 S HA 0.554 5.024 4.470 0.000 0.000 0.295 548 S C -0.670 174.171 174.600 0.402 0.000 1.098 548 S CA -0.714 57.779 58.200 0.488 0.000 0.999 548 S CB 2.123 65.662 63.200 0.565 0.000 1.034 548 S HN 0.513 nan 8.310 nan 0.000 0.483 549 R N 2.670 123.441 120.500 0.451 0.000 2.445 549 R HA 0.596 4.936 4.340 0.000 0.000 0.308 549 R C -1.208 175.359 176.300 0.444 0.000 0.961 549 R CA -0.525 55.807 56.100 0.387 0.000 0.862 549 R CB 0.434 30.934 30.300 0.333 0.000 1.144 549 R HN 0.483 nan 8.270 nan 0.000 0.447 550 I N 5.328 126.104 120.570 0.344 0.000 2.530 550 I HA 0.381 4.551 4.170 0.000 0.000 0.297 550 I C -0.634 175.626 176.117 0.240 0.000 1.011 550 I CA -0.964 60.463 61.300 0.212 0.000 1.107 550 I CB 1.160 39.221 38.000 0.102 0.000 1.285 550 I HN 0.699 nan 8.210 nan 0.000 0.436 551 Y N 3.598 123.921 120.300 0.037 0.000 2.581 551 Y HA 0.783 5.333 4.550 0.000 0.000 0.345 551 Y C -3.082 172.671 175.900 -0.244 0.000 1.036 551 Y CA -3.336 54.740 58.100 -0.041 0.000 1.042 551 Y CB 0.714 39.175 38.460 0.002 0.000 1.289 551 Y HN 0.278 nan 8.280 nan 0.000 0.471 552 P HA 0.149 nan 4.420 nan 0.000 0.267 552 P C -0.427 176.682 177.300 -0.319 0.000 1.200 552 P CA 0.262 63.195 63.100 -0.277 0.000 0.772 552 P CB 0.552 32.063 31.700 -0.315 0.000 0.855 553 A N 3.102 125.681 122.820 -0.402 0.000 2.520 553 A HA 0.287 4.608 4.320 0.000 0.000 0.235 553 A C 1.976 179.389 177.584 -0.284 0.000 1.065 553 A CA 0.555 52.401 52.037 -0.318 0.000 0.764 553 A CB -0.754 18.060 19.000 -0.310 0.000 1.002 553 A HN 0.711 nan 8.150 nan 0.000 0.502 554 G N 1.383 110.159 108.800 -0.038 0.000 2.442 554 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 554 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 554 G C 1.250 176.197 174.900 0.079 0.000 1.141 554 G CA 1.126 46.265 45.100 0.066 0.000 0.763 554 G HN 1.058 nan 8.290 nan 0.000 0.554 555 W N 0.978 122.310 121.300 0.054 0.000 2.721 555 W HA 0.157 4.817 4.660 0.000 0.000 0.245 555 W C 0.580 177.129 176.519 0.050 0.000 1.276 555 W CA -0.143 57.231 57.345 0.048 0.000 1.342 555 W CB -0.277 29.202 29.460 0.031 0.000 1.135 555 W HN 0.089 nan 8.180 nan 0.000 0.654 556 R N 2.406 122.571 120.500 -0.560 0.000 4.779 556 R HA 0.018 4.358 4.340 0.000 0.000 0.217 556 R C 1.700 177.909 176.300 -0.153 0.000 1.934 556 R CA 0.722 56.479 56.100 -0.572 0.000 1.623 556 R CB -0.432 29.406 30.300 -0.770 0.000 1.364 556 R HN 0.144 nan 8.270 nan 0.000 0.799 557 T N -2.517 112.051 114.554 0.023 0.000 3.051 557 T HA -0.121 4.229 4.350 0.000 0.000 0.269 557 T C 1.124 175.859 174.700 0.059 0.000 1.127 557 T CA 1.034 63.181 62.100 0.078 0.000 1.107 557 T CB -0.076 68.872 68.868 0.133 0.000 0.898 557 T HN 0.332 nan 8.240 nan 0.000 0.517 558 D N 0.447 120.871 120.400 0.039 0.000 2.340 558 D HA 0.119 4.760 4.640 0.000 0.000 0.220 558 D C 0.677 176.968 176.300 -0.015 0.000 1.039 558 D CA 0.121 54.138 54.000 0.029 0.000 0.866 558 D CB -0.539 40.293 40.800 0.053 0.000 0.913 558 D HN 0.320 nan 8.370 nan 0.000 0.523 559 S N -1.053 114.621 115.700 -0.044 0.000 3.490 559 S HA -0.205 4.265 4.470 0.000 0.000 0.301 559 S C 0.504 175.049 174.600 -0.091 0.000 1.233 559 S CA 0.610 58.773 58.200 -0.062 0.000 0.914 559 S CB -2.412 60.756 63.200 -0.054 0.000 1.047 559 S HN 0.769 nan 8.310 nan 0.000 0.602 560 S N 1.327 116.958 115.700 -0.115 0.000 2.596 560 S HA 0.544 5.014 4.470 0.000 0.000 0.260 560 S C 0.009 174.514 174.600 -0.159 0.000 1.336 560 S CA -0.512 57.618 58.200 -0.115 0.000 0.993 560 S CB 0.581 63.728 63.200 -0.090 0.000 0.923 560 S HN 0.399 nan 8.310 nan 0.000 0.567 561 N N 0.265 118.875 118.700 -0.150 0.000 2.292 561 N HA 0.453 5.193 4.740 0.000 0.000 0.303 561 N C -1.038 174.378 175.510 -0.157 0.000 1.140 561 N CA -0.512 52.410 53.050 -0.214 0.000 0.788 561 N CB 1.547 39.848 38.487 -0.309 0.000 1.361 561 N HN 0.792 nan 8.380 nan 0.000 0.489 562 Y N -1.101 119.094 120.300 -0.175 0.000 2.480 562 Y HA 0.543 5.093 4.550 0.000 0.000 0.323 562 Y C 0.916 176.728 175.900 -0.146 0.000 1.267 562 Y CA -1.343 56.678 58.100 -0.131 0.000 1.336 562 Y CB -0.027 38.351 38.460 -0.137 0.000 1.361 562 Y HN 0.355 nan 8.280 nan 0.000 0.518 563 S N 2.516 118.197 115.700 -0.032 0.000 2.481 563 S HA 0.218 4.688 4.470 0.000 0.000 0.276 563 S C -1.681 172.764 174.600 -0.258 0.000 1.247 563 S CA -1.200 56.905 58.200 -0.159 0.000 1.053 563 S CB 0.567 63.737 63.200 -0.050 0.000 0.925 563 S HN 0.646 nan 8.310 nan 0.000 0.491 564 P HA -0.062 nan 4.420 nan 0.000 0.219 564 P C 1.628 178.322 177.300 -1.011 0.000 1.150 564 P CA 0.567 63.168 63.100 -0.833 0.000 0.814 564 P CB -0.115 30.959 31.700 -1.043 0.000 0.787 565 V N 2.498 122.009 119.914 -0.672 0.000 2.324 565 V HA -0.261 3.860 4.120 0.000 0.000 0.250 565 V C 2.809 178.861 176.094 -0.071 0.000 1.060 565 V CA 2.491 64.667 62.300 -0.206 0.000 1.042 565 V CB -1.500 30.336 31.823 0.021 0.000 0.650 565 V HN 0.314 nan 8.190 nan 0.000 0.450 566 E N -0.538 119.613 120.200 -0.082 0.000 2.204 566 E HA -0.239 4.111 4.350 0.000 0.000 0.195 566 E C 2.031 178.600 176.600 -0.053 0.000 0.990 566 E CA 1.404 57.787 56.400 -0.028 0.000 0.821 566 E CB -0.251 29.442 29.700 -0.011 0.000 0.750 566 E HN 0.453 nan 8.360 nan 0.000 0.477 567 M N -0.140 119.393 119.600 -0.111 0.000 2.248 567 M HA 0.001 4.482 4.480 0.000 0.000 0.265 567 M C 1.776 178.069 176.300 -0.012 0.000 1.079 567 M CA 0.777 56.010 55.300 -0.111 0.000 1.150 567 M CB -1.030 31.521 32.600 -0.081 0.000 1.366 567 M HN 0.248 nan 8.290 nan 0.000 0.433 568 W N 1.760 123.053 121.300 -0.011 0.000 2.392 568 W HA -0.082 4.578 4.660 0.000 0.000 0.279 568 W C 1.656 178.144 176.519 -0.052 0.000 1.225 568 W CA 0.680 58.000 57.345 -0.042 0.000 1.233 568 W CB -1.722 27.713 29.460 -0.041 0.000 1.122 568 W HN 0.340 nan 8.180 nan 0.000 0.561 569 N N -0.420 118.398 118.700 0.197 0.000 2.573 569 N HA -0.050 4.690 4.740 0.000 0.000 0.187 569 N C 1.774 177.374 175.510 0.149 0.000 1.107 569 N CA 1.315 54.476 53.050 0.185 0.000 0.918 569 N CB -0.573 38.006 38.487 0.153 0.000 0.966 569 N HN 0.162 nan 8.380 nan 0.000 0.448 570 G N -1.574 107.224 108.800 -0.004 0.000 3.324 570 G HA2 0.376 4.336 3.960 0.000 0.000 0.251 570 G HA3 0.376 4.336 3.960 0.000 0.000 0.251 570 G C 0.919 175.702 174.900 -0.196 0.000 1.072 570 G CA 0.162 45.175 45.100 -0.145 0.000 0.787 570 G HN 0.315 nan 8.290 nan 0.000 0.537 571 G N -0.777 107.972 108.800 -0.084 0.000 2.179 571 G HA2 -0.311 3.649 3.960 0.000 0.000 0.260 571 G HA3 -0.311 3.649 3.960 0.000 0.000 0.260 571 G C 0.519 175.378 174.900 -0.069 0.000 0.977 571 G CA 0.086 45.133 45.100 -0.090 0.000 0.641 571 G HN 0.619 nan 8.290 nan 0.000 0.533 572 C N 2.278 121.514 119.300 -0.106 0.000 2.648 572 C HA 0.419 4.879 4.460 0.000 0.000 0.415 572 C C 1.830 176.938 174.990 0.197 0.000 1.366 572 C CA 0.440 59.440 59.018 -0.030 0.000 1.756 572 C CB 0.953 28.615 27.740 -0.129 0.000 2.549 572 C HN 0.658 nan 8.230 nan 0.000 0.597 573 Q N 2.596 122.524 119.800 0.214 0.000 2.394 573 Q HA 0.187 4.527 4.340 0.000 0.000 0.218 573 Q C 0.471 176.674 176.000 0.338 0.000 0.907 573 Q CA 1.064 57.033 55.803 0.278 0.000 0.919 573 Q CB 0.127 28.998 28.738 0.222 0.000 1.051 573 Q HN 0.831 nan 8.270 nan 0.000 0.538 574 I N 3.166 123.919 120.570 0.305 0.000 2.373 574 I HA 0.175 4.345 4.170 0.000 0.000 0.287 574 I C -0.619 175.695 176.117 0.329 0.000 1.124 574 I CA -0.597 60.882 61.300 0.299 0.000 1.273 574 I CB 1.068 39.221 38.000 0.254 0.000 1.578 574 I HN -0.189 nan 8.210 nan 0.000 0.572 575 V N 4.171 124.332 119.914 0.412 0.000 2.313 575 V HA 0.267 4.387 4.120 0.000 0.000 0.252 575 V C 1.006 177.302 176.094 0.335 0.000 1.112 575 V CA -0.430 62.099 62.300 0.383 0.000 0.984 575 V CB 0.479 32.522 31.823 0.366 0.000 1.157 575 V HN 0.642 nan 8.190 nan 0.000 0.493 576 A N 7.081 130.068 122.820 0.278 0.000 2.409 576 A HA 0.696 5.016 4.320 0.000 0.000 0.267 576 A C -0.280 177.350 177.584 0.076 0.000 1.127 576 A CA -0.144 52.003 52.037 0.184 0.000 0.795 576 A CB 0.248 19.392 19.000 0.239 0.000 1.061 576 A HN 0.750 nan 8.150 nan 0.000 0.502 577 L N 1.929 123.114 121.223 -0.064 0.000 2.301 577 L HA 0.395 4.735 4.340 0.000 0.000 0.264 577 L C -0.315 176.569 176.870 0.023 0.000 1.016 577 L CA -1.130 53.594 54.840 -0.194 0.000 0.821 577 L CB 1.730 43.460 42.059 -0.548 0.000 1.346 577 L HN 0.636 nan 8.230 nan 0.000 0.429 578 N N 1.250 119.930 118.700 -0.033 0.000 2.439 578 N HA 0.096 4.836 4.740 0.000 0.000 0.243 578 N C 0.512 176.035 175.510 0.021 0.000 1.088 578 N CA -0.049 53.010 53.050 0.015 0.000 0.940 578 N CB 0.685 39.156 38.487 -0.026 0.000 1.180 578 N HN 0.422 nan 8.380 nan 0.000 0.505 579 F N 1.543 121.372 119.950 -0.201 0.000 2.408 579 F HA -0.130 4.398 4.527 0.000 0.000 0.300 579 F C 2.459 178.168 175.800 -0.150 0.000 1.090 579 F CA 0.945 58.837 58.000 -0.179 0.000 1.427 579 F CB 0.083 38.985 39.000 -0.163 0.000 1.070 579 F HN 0.518 nan 8.300 nan 0.000 0.549 580 Q N -0.509 119.288 119.800 -0.004 0.000 2.451 580 Q HA 0.008 4.349 4.340 0.000 0.000 0.206 580 Q C -0.103 175.850 176.000 -0.079 0.000 0.947 580 Q CA 0.658 56.429 55.803 -0.053 0.000 0.937 580 Q CB -0.763 27.929 28.738 -0.076 0.000 1.025 580 Q HN 0.174 nan 8.270 nan 0.000 0.511 581 T N 4.475 118.969 114.554 -0.101 0.000 2.753 581 T HA 0.447 4.797 4.350 0.000 0.000 0.297 581 T C -2.538 172.077 174.700 -0.141 0.000 0.981 581 T CA -1.338 60.696 62.100 -0.111 0.000 0.956 581 T CB 1.551 70.353 68.868 -0.110 0.000 0.936 581 T HN 0.134 nan 8.240 nan 0.000 0.463 582 P HA 0.528 nan 4.420 nan 0.000 0.271 582 P C 0.207 177.407 177.300 -0.167 0.000 1.218 582 P CA 0.270 63.270 63.100 -0.166 0.000 0.780 582 P CB 0.702 32.295 31.700 -0.178 0.000 0.901 583 G N 1.994 110.687 108.800 -0.178 0.000 2.339 583 G HA2 0.148 4.108 3.960 0.000 0.000 0.302 583 G HA3 0.148 4.108 3.960 0.000 0.000 0.302 583 G C -2.769 172.070 174.900 -0.102 0.000 1.425 583 G CA -0.808 44.209 45.100 -0.139 0.000 0.899 583 G HN 0.106 nan 8.290 nan 0.000 0.619 584 P HA -0.053 nan 4.420 nan 0.000 0.217 584 P C 1.419 178.666 177.300 -0.089 0.000 1.148 584 P CA 1.557 64.641 63.100 -0.027 0.000 0.828 584 P CB 0.312 32.019 31.700 0.012 0.000 0.783 585 E N -1.276 118.852 120.200 -0.121 0.000 2.028 585 E HA -0.110 4.240 4.350 0.000 0.000 0.191 585 E C 2.014 178.521 176.600 -0.154 0.000 0.988 585 E CA 1.230 57.524 56.400 -0.176 0.000 0.799 585 E CB -0.737 28.822 29.700 -0.234 0.000 0.755 585 E HN 0.092 nan 8.360 nan 0.000 0.447 586 M N 0.866 120.359 119.600 -0.178 0.000 2.296 586 M HA -0.102 4.378 4.480 0.000 0.000 0.265 586 M C 1.066 177.335 176.300 -0.051 0.000 1.064 586 M CA 1.149 56.339 55.300 -0.183 0.000 1.109 586 M CB -0.567 31.864 32.600 -0.281 0.000 1.396 586 M HN 0.055 nan 8.290 nan 0.000 0.430 587 D N 0.007 120.382 120.400 -0.040 0.000 2.084 587 D HA -0.103 4.537 4.640 0.000 0.000 0.194 587 D C 2.180 178.514 176.300 0.056 0.000 0.990 587 D CA 1.136 55.149 54.000 0.021 0.000 0.826 587 D CB -0.141 40.684 40.800 0.042 0.000 0.971 587 D HN 0.130 nan 8.370 nan 0.000 0.453 588 V N 0.428 120.349 119.914 0.011 0.000 2.515 588 V HA -0.238 3.882 4.120 0.000 0.000 0.250 588 V C 2.077 178.296 176.094 0.207 0.000 1.058 588 V CA 1.152 63.468 62.300 0.027 0.000 1.064 588 V CB -0.515 31.221 31.823 -0.145 0.000 0.675 588 V HN 0.185 nan 8.190 nan 0.000 0.461 589 Y N 0.239 120.599 120.300 0.099 0.000 2.133 589 Y HA -0.132 4.419 4.550 0.000 0.000 0.287 589 Y C 2.209 178.289 175.900 0.300 0.000 1.134 589 Y CA 1.620 59.895 58.100 0.291 0.000 1.133 589 Y CB -0.070 38.446 38.460 0.093 0.000 0.987 589 Y HN 0.105 nan 8.280 nan 0.000 0.502 590 L N -0.942 120.455 121.223 0.290 0.000 2.376 590 L HA -0.091 4.249 4.340 0.000 0.000 0.219 590 L C 2.440 179.403 176.870 0.155 0.000 1.133 590 L CA 0.896 55.861 54.840 0.209 0.000 0.816 590 L CB -1.036 41.081 42.059 0.095 0.000 0.933 590 L HN 0.372 nan 8.230 nan 0.000 0.449 591 G N -0.584 108.302 108.800 0.143 0.000 2.394 591 G HA2 -0.278 3.683 3.960 0.000 0.000 0.214 591 G HA3 -0.278 3.683 3.960 0.000 0.000 0.214 591 G C 1.817 176.789 174.900 0.120 0.000 1.176 591 G CA 0.717 45.920 45.100 0.171 0.000 0.786 591 G HN 0.448 nan 8.290 nan 0.000 0.533 592 C N 0.119 119.383 119.300 -0.061 0.000 2.413 592 C HA 0.037 4.497 4.460 0.000 0.000 0.276 592 C C 2.378 177.059 174.990 -0.516 0.000 1.248 592 C CA 0.703 59.471 59.018 -0.417 0.000 1.742 592 C CB -1.179 26.025 27.740 -0.893 0.000 2.017 592 C HN 0.309 nan 8.230 nan 0.000 0.481 593 F N 0.825 120.719 119.950 -0.094 0.000 2.804 593 F HA 0.149 4.676 4.527 0.000 0.000 0.303 593 F C 2.181 177.990 175.800 0.015 0.000 1.154 593 F CA 0.779 58.740 58.000 -0.065 0.000 1.401 593 F CB -0.570 38.384 39.000 -0.077 0.000 1.106 593 F HN 0.330 nan 8.300 nan 0.000 0.568 594 Q N 0.510 120.393 119.800 0.138 0.000 2.269 594 Q HA -0.055 4.285 4.340 0.000 0.000 0.201 594 Q C 0.662 176.754 176.000 0.154 0.000 0.946 594 Q CA 0.591 56.422 55.803 0.047 0.000 0.877 594 Q CB -0.194 28.462 28.738 -0.138 0.000 0.963 594 Q HN 0.209 nan 8.270 nan 0.000 0.472 595 D N 0.229 120.803 120.400 0.289 0.000 2.362 595 D HA -0.037 4.603 4.640 0.000 0.000 0.238 595 D C -0.070 176.350 176.300 0.200 0.000 1.212 595 D CA 0.429 54.625 54.000 0.326 0.000 0.902 595 D CB 0.347 41.230 40.800 0.138 0.000 1.180 595 D HN 0.268 nan 8.370 nan 0.000 0.445 596 N N 0.486 119.330 118.700 0.240 0.000 2.716 596 N HA -0.209 4.531 4.740 0.000 0.000 0.250 596 N C 0.691 176.295 175.510 0.158 0.000 1.033 596 N CA 1.905 55.007 53.050 0.087 0.000 0.727 596 N CB -1.297 37.111 38.487 -0.132 0.000 0.950 596 N HN 0.741 nan 8.380 nan 0.000 0.541 597 G N -1.544 107.397 108.800 0.235 0.000 2.155 597 G HA2 -0.084 3.876 3.960 0.000 0.000 0.257 597 G HA3 -0.084 3.876 3.960 0.000 0.000 0.257 597 G C 1.308 176.298 174.900 0.151 0.000 0.983 597 G CA 0.996 46.207 45.100 0.185 0.000 0.676 597 G HN 1.790 nan 8.290 nan 0.000 0.528 598 G N -1.533 107.358 108.800 0.151 0.000 2.249 598 G HA2 -0.117 3.843 3.960 0.000 0.000 0.273 598 G HA3 -0.117 3.843 3.960 0.000 0.000 0.273 598 G C 1.873 176.873 174.900 0.168 0.000 1.036 598 G CA 1.637 46.829 45.100 0.153 0.000 0.824 598 G HN 2.292 nan 8.290 nan 0.000 0.504 599 C N -2.228 117.184 119.300 0.186 0.000 2.514 599 C HA 0.571 5.031 4.460 0.000 0.000 0.271 599 C C 2.392 177.494 174.990 0.186 0.000 1.399 599 C CA 0.891 60.057 59.018 0.247 0.000 1.765 599 C CB -0.642 27.302 27.740 0.340 0.000 1.893 599 C HN 2.342 nan 8.230 nan 0.000 0.531 600 G N -1.204 107.655 108.800 0.097 0.000 2.179 600 G HA2 -0.169 3.791 3.960 0.000 0.000 0.220 600 G HA3 -0.169 3.791 3.960 0.000 0.000 0.220 600 G C -0.432 174.243 174.900 -0.375 0.000 0.990 600 G CA 0.294 45.286 45.100 -0.179 0.000 0.646 600 G HN 0.620 nan 8.290 nan 0.000 0.517 601 Y N -0.184 120.142 120.300 0.043 0.000 2.326 601 Y HA 0.610 5.160 4.550 0.000 0.000 0.329 601 Y C -0.093 175.828 175.900 0.035 0.000 0.973 601 Y CA -0.939 57.148 58.100 -0.022 0.000 1.162 601 Y CB 2.414 40.619 38.460 -0.426 0.000 1.147 601 Y HN 0.104 nan 8.280 nan 0.000 0.456 602 V N 5.239 125.299 119.914 0.244 0.000 2.444 602 V HA 0.279 4.400 4.120 0.000 0.000 0.294 602 V C -0.396 175.740 176.094 0.070 0.000 1.022 602 V CA -0.957 61.367 62.300 0.040 0.000 0.850 602 V CB 1.733 33.405 31.823 -0.252 0.000 0.992 602 V HN 0.586 nan 8.190 nan 0.000 0.426 603 L N 5.938 127.179 121.223 0.029 0.000 2.499 603 L HA 0.223 4.563 4.340 0.000 0.000 0.273 603 L C 0.541 177.239 176.870 -0.286 0.000 1.195 603 L CA 0.668 55.379 54.840 -0.215 0.000 0.882 603 L CB 0.168 42.076 42.059 -0.251 0.000 1.133 603 L HN 0.575 nan 8.230 nan 0.000 0.483 604 K N 5.822 126.012 120.400 -0.350 0.000 2.168 604 K HA 0.302 4.623 4.320 0.000 0.000 0.258 604 K C -2.244 174.110 176.600 -0.410 0.000 1.010 604 K CA -1.394 54.671 56.287 -0.370 0.000 0.929 604 K CB 0.046 32.325 32.500 -0.368 0.000 0.998 604 K HN 0.471 nan 8.250 nan 0.000 0.479 605 P HA -0.088 nan 4.420 nan 0.000 0.267 605 P C -0.188 176.760 177.300 -0.586 0.000 1.200 605 P CA 0.164 62.928 63.100 -0.560 0.000 0.772 605 P CB 0.699 31.834 31.700 -0.942 0.000 0.855 606 A N 3.512 126.122 122.820 -0.350 0.000 1.892 606 A HA -0.234 4.086 4.320 0.000 0.000 0.218 606 A C 1.780 179.241 177.584 -0.205 0.000 1.188 606 A CA 2.104 54.007 52.037 -0.223 0.000 0.631 606 A CB -1.887 17.069 19.000 -0.074 0.000 0.822 606 A HN 0.714 nan 8.150 nan 0.000 0.447 607 F N -0.856 119.050 119.950 -0.073 0.000 2.373 607 F HA 0.022 4.549 4.527 0.000 0.000 0.300 607 F C 1.338 177.077 175.800 -0.102 0.000 1.080 607 F CA 0.918 58.910 58.000 -0.014 0.000 1.417 607 F CB -0.555 38.538 39.000 0.155 0.000 1.070 607 F HN 0.094 nan 8.300 nan 0.000 0.546 608 L N 0.065 120.895 121.223 -0.655 0.000 2.592 608 L HA 0.225 4.566 4.340 0.000 0.000 0.227 608 L C 1.550 178.212 176.870 -0.346 0.000 1.127 608 L CA 0.185 54.758 54.840 -0.445 0.000 0.884 608 L CB -0.207 41.500 42.059 -0.587 0.000 1.065 608 L HN 0.118 nan 8.230 nan 0.000 0.457 609 R N -0.746 119.536 120.500 -0.363 0.000 2.509 609 R HA 0.086 4.426 4.340 0.000 0.000 0.300 609 R C -0.278 175.864 176.300 -0.264 0.000 0.985 609 R CA -0.143 55.676 56.100 -0.469 0.000 1.092 609 R CB 0.349 30.297 30.300 -0.587 0.000 1.237 609 R HN 0.014 nan 8.270 nan 0.000 0.546 610 D N 1.595 121.926 120.400 -0.115 0.000 2.412 610 D HA 0.124 4.764 4.640 0.000 0.000 0.224 610 D C -1.525 174.784 176.300 0.015 0.000 1.093 610 D CA -2.619 51.372 54.000 -0.014 0.000 0.850 610 D CB 1.591 42.431 40.800 0.068 0.000 1.046 610 D HN -0.120 nan 8.370 nan 0.000 0.507 611 P HA -0.126 nan 4.420 nan 0.000 0.224 611 P C 0.172 177.507 177.300 0.057 0.000 1.142 611 P CA 0.833 63.954 63.100 0.035 0.000 0.778 611 P CB 0.385 32.111 31.700 0.044 0.000 0.764 612 N N -1.094 117.647 118.700 0.068 0.000 2.204 612 N HA 0.044 4.784 4.740 0.000 0.000 0.219 612 N C 0.071 175.651 175.510 0.116 0.000 1.151 612 N CA 0.240 53.339 53.050 0.083 0.000 0.867 612 N CB 0.116 38.647 38.487 0.074 0.000 1.043 612 N HN 0.168 nan 8.380 nan 0.000 0.516 613 T N 0.314 114.954 114.554 0.143 0.000 2.906 613 T HA 0.035 4.385 4.350 0.000 0.000 0.320 613 T C 1.434 176.243 174.700 0.182 0.000 1.088 613 T CA 0.130 62.367 62.100 0.228 0.000 1.120 613 T CB 0.734 69.766 68.868 0.275 0.000 1.000 613 T HN 0.213 nan 8.240 nan 0.000 0.550 614 T N -1.372 113.320 114.554 0.229 0.000 3.174 614 T HA 0.256 4.606 4.350 0.000 0.000 0.269 614 T C 0.043 174.735 174.700 -0.013 0.000 1.017 614 T CA -0.743 61.433 62.100 0.127 0.000 0.899 614 T CB -0.553 68.416 68.868 0.168 0.000 1.077 614 T HN 0.503 nan 8.240 nan 0.000 0.552 615 F N 3.149 122.907 119.950 -0.319 0.000 2.529 615 F HA 0.485 5.013 4.527 0.000 0.000 0.365 615 F C 0.160 175.703 175.800 -0.428 0.000 1.102 615 F CA -0.479 57.039 58.000 -0.803 0.000 1.271 615 F CB 0.489 38.969 39.000 -0.866 0.000 1.120 615 F HN 0.154 nan 8.300 nan 0.000 0.579 616 N N 3.346 121.219 118.700 -1.377 0.000 2.629 616 N HA 0.015 4.755 4.740 0.000 0.000 0.277 616 N C 0.369 175.136 175.510 -1.238 0.000 1.188 616 N CA 0.380 52.821 53.050 -1.015 0.000 0.835 616 N CB 1.449 39.651 38.487 -0.474 0.000 1.420 616 N HN 0.713 nan 8.380 nan 0.000 0.542 617 S N 3.241 118.101 115.700 -1.400 0.000 2.423 617 S HA -0.147 4.323 4.470 0.000 0.000 0.238 617 S C 1.285 175.685 174.600 -0.333 0.000 1.028 617 S CA 1.070 58.852 58.200 -0.696 0.000 1.000 617 S CB 0.007 63.127 63.200 -0.133 0.000 0.797 617 S HN 0.643 nan 8.310 nan 0.000 0.487 618 R N 0.679 120.998 120.500 -0.302 0.000 2.276 618 R HA 0.384 4.724 4.340 0.000 0.000 0.196 618 R C 0.581 176.792 176.300 -0.149 0.000 0.961 618 R CA 0.694 56.696 56.100 -0.164 0.000 1.024 618 R CB 0.151 30.381 30.300 -0.116 0.000 0.940 618 R HN 0.426 nan 8.270 nan 0.000 0.480 619 A N 1.427 124.118 122.820 -0.216 0.000 3.082 619 A HA 0.327 4.647 4.320 0.000 0.000 0.328 619 A C -0.487 176.989 177.584 -0.180 0.000 1.089 619 A CA -0.612 51.331 52.037 -0.156 0.000 0.802 619 A CB 0.275 19.193 19.000 -0.136 0.000 1.138 619 A HN 0.079 nan 8.150 nan 0.000 0.474 620 L N 2.202 123.355 121.223 -0.116 0.000 2.462 620 L HA 0.373 4.713 4.340 0.000 0.000 0.272 620 L C 1.117 177.977 176.870 -0.017 0.000 1.166 620 L CA 0.295 55.120 54.840 -0.025 0.000 0.880 620 L CB 0.952 43.116 42.059 0.174 0.000 1.142 620 L HN 0.762 nan 8.230 nan 0.000 0.473 621 T N -0.041 114.586 114.554 0.120 0.000 2.858 621 T HA 0.374 4.725 4.350 0.000 0.000 0.285 621 T C -0.433 174.290 174.700 0.038 0.000 1.052 621 T CA -0.923 61.190 62.100 0.022 0.000 1.009 621 T CB 1.710 70.635 68.868 0.095 0.000 1.241 621 T HN 0.426 nan 8.240 nan 0.000 0.542 622 Q N -0.269 119.404 119.800 -0.213 0.000 2.364 622 Q HA 0.565 4.905 4.340 0.000 0.000 0.267 622 Q C 0.124 175.853 176.000 -0.452 0.000 0.999 622 Q CA 1.238 56.809 55.803 -0.386 0.000 0.886 622 Q CB 0.129 28.664 28.738 -0.338 0.000 1.243 622 Q HN 1.266 nan 8.270 nan 0.000 0.415 623 G N 2.620 110.893 108.800 -0.879 0.000 2.316 623 G HA2 0.185 4.145 3.960 0.000 0.000 0.296 623 G HA3 0.185 4.145 3.960 0.000 0.000 0.296 623 G C -2.521 171.572 174.900 -1.345 0.000 1.399 623 G CA -0.509 43.742 45.100 -1.414 0.000 0.833 623 G HN 0.445 nan 8.290 nan 0.000 0.565 624 P HA -0.107 nan 4.420 nan 0.000 0.217 624 P C 1.585 178.623 177.300 -0.436 0.000 1.148 624 P CA 2.227 65.049 63.100 -0.465 0.000 0.834 624 P CB -0.125 31.484 31.700 -0.152 0.000 0.783 625 W N -1.957 119.074 121.300 -0.449 0.000 2.465 625 W HA 0.012 4.673 4.660 0.000 0.000 0.268 625 W C 0.912 177.297 176.519 -0.223 0.000 1.242 625 W CA -0.553 56.355 57.345 -0.728 0.000 1.248 625 W CB -1.643 26.821 29.460 -1.659 0.000 1.118 625 W HN -0.098 nan 8.180 nan 0.000 0.587 626 W N 4.450 125.418 121.300 -0.553 0.000 2.507 626 W HA 0.336 4.996 4.660 0.000 0.000 0.334 626 W C -0.433 175.966 176.519 -0.200 0.000 1.165 626 W CA -0.382 56.824 57.345 -0.231 0.000 1.460 626 W CB 0.173 29.450 29.460 -0.305 0.000 1.404 626 W HN -0.076 nan 8.180 nan 0.000 0.435 627 R N 5.984 126.225 120.500 -0.432 0.000 2.754 627 R HA 0.195 4.535 4.340 0.000 0.000 0.255 627 R C -2.634 173.417 176.300 -0.417 0.000 1.723 627 R CA -1.622 54.285 56.100 -0.323 0.000 1.596 627 R CB 1.046 31.234 30.300 -0.186 0.000 1.424 627 R HN 0.149 nan 8.270 nan 0.000 0.662 628 P HA -0.031 nan 4.420 nan 0.000 0.265 628 P C -0.345 176.813 177.300 -0.237 0.000 1.193 628 P CA 0.532 63.353 63.100 -0.464 0.000 0.765 628 P CB 0.763 32.195 31.700 -0.446 0.000 0.823 629 E N 2.334 122.420 120.200 -0.190 0.000 2.392 629 E HA 0.443 4.793 4.350 0.000 0.000 0.269 629 E C -0.567 176.061 176.600 0.046 0.000 0.924 629 E CA -0.964 55.426 56.400 -0.016 0.000 0.784 629 E CB 2.339 32.119 29.700 0.134 0.000 1.292 629 E HN 0.314 nan 8.360 nan 0.000 0.447 630 R N 1.311 121.872 120.500 0.103 0.000 2.337 630 R HA 0.362 4.702 4.340 0.000 0.000 0.319 630 R C -1.012 175.384 176.300 0.161 0.000 0.954 630 R CA -0.704 55.459 56.100 0.105 0.000 0.840 630 R CB 0.664 30.993 30.300 0.048 0.000 1.164 630 R HN 0.297 nan 8.270 nan 0.000 0.472 631 L N 3.732 125.098 121.223 0.239 0.000 2.309 631 L HA 0.533 4.874 4.340 0.000 0.000 0.282 631 L C -0.850 176.121 176.870 0.170 0.000 1.036 631 L CA -0.144 54.825 54.840 0.214 0.000 0.806 631 L CB 1.337 43.588 42.059 0.321 0.000 1.220 631 L HN 0.533 nan 8.230 nan 0.000 0.429 632 R N 3.829 124.372 120.500 0.071 0.000 2.534 632 R HA 0.764 5.104 4.340 0.000 0.000 0.301 632 R C -1.633 174.689 176.300 0.037 0.000 0.961 632 R CA -0.812 55.310 56.100 0.038 0.000 0.871 632 R CB 2.226 32.509 30.300 -0.029 0.000 1.170 632 R HN 0.511 nan 8.270 nan 0.000 0.446 633 V N 3.570 123.539 119.914 0.092 0.000 2.483 633 V HA 0.435 4.556 4.120 0.000 0.000 0.297 633 V C -0.252 175.854 176.094 0.020 0.000 1.027 633 V CA -0.803 61.560 62.300 0.105 0.000 0.855 633 V CB 1.862 33.847 31.823 0.271 0.000 0.995 633 V HN 0.612 nan 8.190 nan 0.000 0.424 634 R N 4.616 125.082 120.500 -0.057 0.000 2.295 634 R HA 0.540 4.880 4.340 0.000 0.000 0.324 634 R C -1.123 175.132 176.300 -0.074 0.000 0.968 634 R CA -0.746 55.286 56.100 -0.114 0.000 0.837 634 R CB 1.240 31.468 30.300 -0.121 0.000 1.133 634 R HN 0.519 nan 8.270 nan 0.000 0.450 635 I N 6.887 127.415 120.570 -0.071 0.000 2.301 635 I HA 0.072 4.242 4.170 0.000 0.000 0.292 635 I C 1.283 177.458 176.117 0.096 0.000 1.046 635 I CA 0.089 61.393 61.300 0.006 0.000 1.282 635 I CB 0.882 38.848 38.000 -0.057 0.000 1.409 635 I HN 0.712 nan 8.210 nan 0.000 0.484 636 I N 4.125 124.773 120.570 0.130 0.000 2.594 636 I HA -0.042 4.128 4.170 0.000 0.000 0.237 636 I C 1.028 177.342 176.117 0.328 0.000 1.071 636 I CA 0.792 62.215 61.300 0.204 0.000 1.427 636 I CB 0.145 38.271 38.000 0.210 0.000 1.218 636 I HN 0.709 nan 8.210 nan 0.000 0.444 637 S N -0.887 115.037 115.700 0.374 0.000 2.671 637 S HA 0.771 5.241 4.470 0.000 0.000 0.277 637 S C -0.517 174.330 174.600 0.412 0.000 1.165 637 S CA -0.535 57.864 58.200 0.331 0.000 0.822 637 S CB 1.602 64.896 63.200 0.158 0.000 1.150 637 S HN 0.243 nan 8.310 nan 0.000 0.479 638 G N -0.303 108.666 108.800 0.283 0.000 2.524 638 G HA2 0.624 4.584 3.960 0.000 0.000 0.310 638 G HA3 0.624 4.584 3.960 0.000 0.000 0.310 638 G C -1.946 172.949 174.900 -0.009 0.000 1.279 638 G CA -0.744 44.503 45.100 0.245 0.000 0.974 638 G HN 0.533 nan 8.290 nan 0.000 0.484 639 Q N 0.507 120.271 119.800 -0.061 0.000 2.325 639 Q HA 0.440 4.781 4.340 0.000 0.000 0.270 639 Q C -0.282 175.601 176.000 -0.195 0.000 1.020 639 Q CA -0.532 55.133 55.803 -0.231 0.000 0.785 639 Q CB 1.971 30.564 28.738 -0.241 0.000 1.259 639 Q HN 0.669 nan 8.270 nan 0.000 0.452 640 Q N 1.684 121.341 119.800 -0.238 0.000 2.443 640 Q HA -0.222 4.118 4.340 0.000 0.000 0.337 640 Q C -0.791 175.173 176.000 -0.061 0.000 1.401 640 Q CA 0.212 55.969 55.803 -0.076 0.000 0.943 640 Q CB -1.423 27.281 28.738 -0.056 0.000 1.177 640 Q HN 0.598 nan 8.270 nan 0.000 0.394 641 L N 2.001 123.201 121.223 -0.039 0.000 2.499 641 L HA 0.167 4.507 4.340 0.000 0.000 0.273 641 L C -1.277 175.544 176.870 -0.082 0.000 1.195 641 L CA -1.626 53.184 54.840 -0.051 0.000 0.882 641 L CB -0.303 41.765 42.059 0.014 0.000 1.133 641 L HN 0.091 nan 8.230 nan 0.000 0.483 642 P HA 0.004 nan 4.420 nan 0.000 0.263 642 P C -1.126 176.124 177.300 -0.083 0.000 1.195 642 P CA -0.132 62.831 63.100 -0.227 0.000 0.762 642 P CB 0.119 31.474 31.700 -0.574 0.000 0.799 643 K N 2.934 123.314 120.400 -0.033 0.000 2.349 643 K HA 0.279 4.599 4.320 0.000 0.000 0.289 643 K C 0.665 177.279 176.600 0.022 0.000 1.064 643 K CA -0.881 55.411 56.287 0.008 0.000 0.947 643 K CB -0.018 32.492 32.500 0.017 0.000 1.007 643 K HN 0.138 nan 8.250 nan 0.000 0.478 644 V N 1.716 121.653 119.914 0.038 0.000 4.045 644 V HA -0.191 3.929 4.120 0.000 0.000 0.265 644 V C 1.732 177.860 176.094 0.058 0.000 0.889 644 V CA -0.127 62.212 62.300 0.064 0.000 0.887 644 V CB -0.104 31.766 31.823 0.079 0.000 1.193 644 V HN 0.808 nan 8.190 nan 0.000 0.406 645 N N -0.234 118.503 118.700 0.063 0.000 2.060 645 N HA -0.172 4.568 4.740 0.000 0.000 0.195 645 N C 0.842 176.375 175.510 0.038 0.000 1.028 645 N CA 1.229 54.309 53.050 0.049 0.000 0.861 645 N CB -0.553 37.961 38.487 0.046 0.000 1.029 645 N HN 0.523 nan 8.380 nan 0.000 0.428 646 K N 1.917 122.339 120.400 0.037 0.000 2.600 646 K HA -0.054 4.266 4.320 0.000 0.000 0.280 646 K C -0.082 176.534 176.600 0.027 0.000 0.971 646 K CA 0.559 56.864 56.287 0.030 0.000 1.053 646 K CB 0.246 32.764 32.500 0.030 0.000 0.856 646 K HN 0.216 nan 8.250 nan 0.000 0.495 647 N N 4.109 122.823 118.700 0.022 0.000 2.492 647 N HA 0.203 4.943 4.740 0.000 0.000 0.289 647 N C -0.253 175.267 175.510 0.016 0.000 1.133 647 N CA -0.529 52.532 53.050 0.019 0.000 0.961 647 N CB 1.415 39.912 38.487 0.016 0.000 1.186 647 N HN 0.503 nan 8.380 nan 0.000 0.493 648 K N 0.612 121.020 120.400 0.013 0.000 2.443 648 K HA -0.239 4.081 4.320 0.000 0.000 0.175 648 K C 0.846 177.453 176.600 0.012 0.000 1.379 648 K CA 0.822 57.115 56.287 0.010 0.000 0.413 648 K CB -1.344 31.162 32.500 0.009 0.000 0.695 648 K HN 0.596 nan 8.250 nan 0.000 0.754 649 N N 1.349 120.056 118.700 0.012 0.000 2.188 649 N HA -0.081 4.659 4.740 0.000 0.000 0.184 649 N C 0.517 176.041 175.510 0.024 0.000 1.018 649 N CA 0.780 53.840 53.050 0.017 0.000 0.858 649 N CB -0.160 38.338 38.487 0.018 0.000 0.989 649 N HN 0.474 nan 8.380 nan 0.000 0.426 650 S N 1.814 117.529 115.700 0.025 0.000 3.689 650 S HA -0.084 4.386 4.470 0.000 0.000 0.439 650 S C 0.323 174.943 174.600 0.033 0.000 1.025 650 S CA -0.060 58.158 58.200 0.030 0.000 1.576 650 S CB -0.829 62.388 63.200 0.028 0.000 0.965 650 S HN 0.059 nan 8.310 nan 0.000 0.578 651 I N 5.715 126.307 120.570 0.037 0.000 2.472 651 I HA 0.180 4.350 4.170 0.000 0.000 0.290 651 I C 0.778 176.924 176.117 0.047 0.000 1.016 651 I CA -0.526 60.797 61.300 0.039 0.000 1.348 651 I CB 1.227 39.248 38.000 0.035 0.000 1.417 651 I HN 0.227 nan 8.210 nan 0.000 0.521 652 V N 5.241 125.186 119.914 0.051 0.000 2.872 652 V HA -0.032 4.088 4.120 0.000 0.000 0.307 652 V C -0.096 176.047 176.094 0.082 0.000 1.072 652 V CA 0.011 62.352 62.300 0.068 0.000 1.148 652 V CB 0.273 32.137 31.823 0.068 0.000 0.954 652 V HN 0.640 nan 8.190 nan 0.000 0.490 653 D N 3.721 124.194 120.400 0.121 0.000 2.483 653 D HA 0.306 4.946 4.640 0.000 0.000 0.281 653 D C -2.546 173.877 176.300 0.205 0.000 1.174 653 D CA -1.179 52.911 54.000 0.151 0.000 0.938 653 D CB 0.775 41.703 40.800 0.213 0.000 1.002 653 D HN 0.393 nan 8.370 nan 0.000 0.501 654 P HA 0.117 nan 4.420 nan 0.000 0.271 654 P C -0.309 177.293 177.300 0.504 0.000 1.218 654 P CA -0.337 62.965 63.100 0.337 0.000 0.780 654 P CB 1.338 33.282 31.700 0.407 0.000 0.901 655 K N 1.207 121.827 120.400 0.366 0.000 2.532 655 K HA 0.545 4.865 4.320 0.000 0.000 0.265 655 K C -2.014 174.537 176.600 -0.081 0.000 0.948 655 K CA -0.934 55.489 56.287 0.226 0.000 0.842 655 K CB 1.969 34.577 32.500 0.181 0.000 1.392 655 K HN 0.181 nan 8.250 nan 0.000 0.436 656 V N 3.464 123.173 119.914 -0.341 0.000 2.680 656 V HA 0.534 4.655 4.120 0.000 0.000 0.309 656 V C -0.391 175.616 176.094 -0.145 0.000 1.052 656 V CA -0.921 61.190 62.300 -0.315 0.000 0.908 656 V CB 1.749 33.237 31.823 -0.557 0.000 1.001 656 V HN 0.660 nan 8.190 nan 0.000 0.431 657 I N 3.759 124.275 120.570 -0.089 0.000 2.509 657 I HA 0.562 4.732 4.170 0.000 0.000 0.293 657 I C -0.858 175.182 176.117 -0.127 0.000 1.020 657 I CA -0.784 60.454 61.300 -0.103 0.000 1.088 657 I CB 2.087 40.047 38.000 -0.067 0.000 1.267 657 I HN 0.242 nan 8.210 nan 0.000 0.430 658 V N 5.728 125.516 119.914 -0.210 0.000 2.487 658 V HA 0.396 4.516 4.120 0.000 0.000 0.298 658 V C -0.313 175.574 176.094 -0.344 0.000 1.028 658 V CA -0.572 61.547 62.300 -0.302 0.000 0.860 658 V CB 2.052 33.787 31.823 -0.147 0.000 0.991 658 V HN 0.748 nan 8.190 nan 0.000 0.427 659 E N 4.897 124.841 120.200 -0.427 0.000 2.256 659 E HA 0.611 4.962 4.350 0.000 0.000 0.267 659 E C -1.404 174.837 176.600 -0.598 0.000 0.892 659 E CA -0.924 55.187 56.400 -0.483 0.000 0.775 659 E CB 2.722 32.168 29.700 -0.424 0.000 1.207 659 E HN 0.337 nan 8.360 nan 0.000 0.420 660 I N 2.669 122.848 120.570 -0.652 0.000 2.362 660 I HA 0.242 4.412 4.170 0.000 0.000 0.289 660 I C -0.320 175.533 176.117 -0.440 0.000 0.994 660 I CA -0.529 60.476 61.300 -0.493 0.000 1.158 660 I CB 0.675 38.390 38.000 -0.476 0.000 1.315 660 I HN 0.479 nan 8.210 nan 0.000 0.451 661 H N 4.295 123.308 119.070 -0.095 0.000 2.466 661 H HA 0.762 5.318 4.556 0.000 0.000 0.338 661 H C 0.408 175.735 175.328 -0.002 0.000 1.091 661 H CA -0.345 55.683 56.048 -0.033 0.000 1.207 661 H CB 2.452 32.216 29.762 0.003 0.000 1.466 661 H HN 0.862 nan 8.280 nan 0.000 0.493 662 G N 1.078 109.945 108.800 0.111 0.000 2.441 662 G HA2 0.181 4.141 3.960 0.000 0.000 0.225 662 G HA3 0.181 4.141 3.960 0.000 0.000 0.225 662 G C -0.520 174.424 174.900 0.074 0.000 1.200 662 G CA -0.131 45.019 45.100 0.084 0.000 0.947 662 G HN 0.547 nan 8.290 nan 0.000 0.484 663 V N 0.682 120.636 119.914 0.066 0.000 2.999 663 V HA 0.539 4.659 4.120 0.000 0.000 0.307 663 V C 1.893 178.010 176.094 0.038 0.000 1.084 663 V CA 1.164 63.508 62.300 0.074 0.000 1.155 663 V CB 0.559 32.445 31.823 0.105 0.000 0.975 663 V HN 1.913 nan 8.190 nan 0.000 0.490 664 G N 2.755 111.572 108.800 0.029 0.000 2.556 664 G HA2 -0.349 3.611 3.960 0.000 0.000 0.220 664 G HA3 -0.349 3.611 3.960 0.000 0.000 0.220 664 G C 1.472 176.381 174.900 0.014 0.000 1.156 664 G CA 1.234 46.343 45.100 0.016 0.000 0.766 664 G HN 1.104 nan 8.290 nan 0.000 0.583 665 R N 0.228 120.743 120.500 0.026 0.000 2.237 665 R HA -0.027 4.313 4.340 0.000 0.000 0.219 665 R C 1.024 177.331 176.300 0.012 0.000 1.080 665 R CA 1.656 57.776 56.100 0.033 0.000 0.995 665 R CB -0.155 30.190 30.300 0.075 0.000 0.875 665 R HN 0.198 nan 8.270 nan 0.000 0.462 666 D N 0.764 121.158 120.400 -0.011 0.000 2.367 666 D HA -0.025 4.615 4.640 0.000 0.000 0.207 666 D C 0.177 176.444 176.300 -0.056 0.000 1.034 666 D CA 0.761 54.735 54.000 -0.043 0.000 0.861 666 D CB 0.414 41.162 40.800 -0.087 0.000 0.943 666 D HN 0.338 nan 8.370 nan 0.000 0.515 667 T N -0.683 113.841 114.554 -0.050 0.000 2.908 667 T HA 0.459 4.809 4.350 0.000 0.000 0.301 667 T C 0.526 175.173 174.700 -0.089 0.000 1.019 667 T CA -0.278 61.766 62.100 -0.094 0.000 1.152 667 T CB 1.489 70.319 68.868 -0.063 0.000 0.966 667 T HN 0.057 nan 8.240 nan 0.000 0.540 668 G N 0.501 109.208 108.800 -0.156 0.000 2.677 668 G HA2 0.577 4.538 3.960 0.000 0.000 0.291 668 G HA3 0.577 4.538 3.960 0.000 0.000 0.291 668 G C -1.387 173.428 174.900 -0.142 0.000 1.435 668 G CA -0.711 44.350 45.100 -0.065 0.000 0.826 668 G HN 0.994 nan 8.290 nan 0.000 0.491 669 S N -0.522 115.149 115.700 -0.048 0.000 2.533 669 S HA 0.826 5.296 4.470 0.000 0.000 0.271 669 S C -1.151 173.379 174.600 -0.117 0.000 1.143 669 S CA -0.827 57.305 58.200 -0.114 0.000 0.891 669 S CB 1.456 64.580 63.200 -0.126 0.000 1.105 669 S HN 0.689 nan 8.310 nan 0.000 0.468 670 R N 2.027 122.372 120.500 -0.258 0.000 2.739 670 R HA 0.499 4.840 4.340 0.000 0.000 0.271 670 R C -1.345 174.609 176.300 -0.577 0.000 1.010 670 R CA -0.708 55.076 56.100 -0.527 0.000 0.897 670 R CB 1.805 31.439 30.300 -1.110 0.000 1.236 670 R HN 0.896 nan 8.270 nan 0.000 0.466 671 Q N -0.663 118.891 119.800 -0.410 0.000 2.389 671 Q HA 0.497 4.838 4.340 0.000 0.000 0.277 671 Q C -0.461 175.644 176.000 0.175 0.000 1.082 671 Q CA -0.873 54.854 55.803 -0.127 0.000 0.810 671 Q CB 2.095 30.801 28.738 -0.054 0.000 1.374 671 Q HN 0.654 nan 8.270 nan 0.000 0.422 672 T N -0.717 113.963 114.554 0.210 0.000 2.729 672 T HA 0.686 5.037 4.350 0.000 0.000 0.298 672 T C 0.551 175.352 174.700 0.169 0.000 1.013 672 T CA -0.030 62.190 62.100 0.199 0.000 0.957 672 T CB 0.716 69.496 68.868 -0.147 0.000 1.130 672 T HN 0.791 nan 8.240 nan 0.000 0.526 673 A N 0.044 123.011 122.820 0.245 0.000 2.240 673 A HA 0.651 4.971 4.320 0.000 0.000 0.292 673 A C 0.033 177.778 177.584 0.268 0.000 1.121 673 A CA -0.873 51.272 52.037 0.181 0.000 0.851 673 A CB 0.267 19.352 19.000 0.142 0.000 1.167 673 A HN 0.809 nan 8.150 nan 0.000 0.503 674 V N 1.054 121.036 119.914 0.113 0.000 2.509 674 V HA 0.265 4.385 4.120 0.000 0.000 0.284 674 V C -0.424 175.716 176.094 0.077 0.000 1.047 674 V CA -0.410 61.962 62.300 0.120 0.000 0.952 674 V CB 1.113 32.864 31.823 -0.119 0.000 0.988 674 V HN 0.556 nan 8.190 nan 0.000 0.469 675 I N 3.912 124.524 120.570 0.070 0.000 2.321 675 I HA 0.288 4.458 4.170 0.000 0.000 0.291 675 I C 0.635 176.731 176.117 -0.035 0.000 0.998 675 I CA -0.156 61.081 61.300 -0.105 0.000 1.227 675 I CB 1.554 39.336 38.000 -0.363 0.000 1.368 675 I HN 0.792 nan 8.210 nan 0.000 0.466 676 T N 3.370 117.904 114.554 -0.033 0.000 2.817 676 T HA 0.282 4.632 4.350 0.000 0.000 0.293 676 T C 0.530 175.226 174.700 -0.006 0.000 0.964 676 T CA -0.209 61.897 62.100 0.009 0.000 1.085 676 T CB 0.097 68.979 68.868 0.024 0.000 0.921 676 T HN 0.552 nan 8.240 nan 0.000 0.502 677 N N 1.642 120.355 118.700 0.021 0.000 2.738 677 N HA -0.179 4.561 4.740 0.000 0.000 0.249 677 N C -1.212 174.284 175.510 -0.024 0.000 1.047 677 N CA 0.861 53.918 53.050 0.012 0.000 0.707 677 N CB -1.330 37.168 38.487 0.018 0.000 0.937 677 N HN 0.819 nan 8.380 nan 0.000 0.545 678 N N -1.036 117.645 118.700 -0.032 0.000 2.572 678 N HA 0.527 5.267 4.740 0.000 0.000 0.287 678 N C 0.538 176.031 175.510 -0.029 0.000 1.136 678 N CA 0.221 53.236 53.050 -0.059 0.000 0.900 678 N CB 1.048 39.447 38.487 -0.147 0.000 1.484 678 N HN 0.139 nan 8.380 nan 0.000 0.526 679 G N 1.221 110.036 108.800 0.026 0.000 2.944 679 G HA2 -0.006 3.954 3.960 0.000 0.000 0.223 679 G HA3 -0.006 3.954 3.960 0.000 0.000 0.223 679 G C 0.751 175.686 174.900 0.058 0.000 1.071 679 G CA -0.083 45.042 45.100 0.042 0.000 0.806 679 G HN 0.476 nan 8.290 nan 0.000 0.538 680 F N 3.005 122.906 119.950 -0.081 0.000 2.163 680 F HA 0.097 4.625 4.527 0.000 0.000 0.297 680 F C 0.936 176.677 175.800 -0.097 0.000 1.094 680 F CA 1.362 59.312 58.000 -0.083 0.000 1.290 680 F CB 0.441 39.388 39.000 -0.089 0.000 1.017 680 F HN 0.272 nan 8.300 nan 0.000 0.483 681 N N -1.422 117.155 118.700 -0.205 0.000 2.581 681 N HA 0.197 4.937 4.740 0.000 0.000 0.274 681 N C -3.260 172.096 175.510 -0.258 0.000 1.629 681 N CA -1.591 51.272 53.050 -0.311 0.000 0.884 681 N CB -0.827 37.453 38.487 -0.346 0.000 1.423 681 N HN 0.010 nan 8.380 nan 0.000 0.507 682 P HA 0.051 nan 4.420 nan 0.000 0.267 682 P C -0.524 176.391 177.300 -0.643 0.000 1.200 682 P CA 0.124 62.885 63.100 -0.565 0.000 0.772 682 P CB 1.101 32.323 31.700 -0.797 0.000 0.855 683 R N 3.170 123.289 120.500 -0.636 0.000 2.476 683 R HA 0.250 4.590 4.340 0.000 0.000 0.305 683 R C 0.159 176.239 176.300 -0.367 0.000 0.965 683 R CA -0.589 55.299 56.100 -0.353 0.000 0.867 683 R CB 0.784 30.986 30.300 -0.163 0.000 1.176 683 R HN 0.531 nan 8.270 nan 0.000 0.447 684 W N 1.580 122.882 121.300 0.002 0.000 2.699 684 W HA 0.098 4.758 4.660 0.000 0.000 0.267 684 W C 0.010 176.510 176.519 -0.030 0.000 1.182 684 W CA 0.075 57.414 57.345 -0.010 0.000 1.453 684 W CB 0.267 29.726 29.460 -0.001 0.000 1.054 684 W HN 0.623 nan 8.180 nan 0.000 0.595 685 D N 0.837 121.373 120.400 0.226 0.000 2.697 685 D HA -0.210 4.430 4.640 0.000 0.000 0.235 685 D C -0.526 175.787 176.300 0.021 0.000 1.167 685 D CA 1.061 55.119 54.000 0.097 0.000 0.656 685 D CB -1.189 39.650 40.800 0.066 0.000 1.025 685 D HN -0.003 nan 8.370 nan 0.000 0.419 686 M N 0.805 120.382 119.600 -0.038 0.000 2.393 686 M HA 0.422 4.902 4.480 0.000 0.000 0.316 686 M C -0.898 175.106 176.300 -0.492 0.000 1.087 686 M CA -0.462 54.693 55.300 -0.241 0.000 0.937 686 M CB 1.953 34.411 32.600 -0.237 0.000 1.668 686 M HN 0.028 nan 8.290 nan 0.000 0.438 687 E N 3.471 123.360 120.200 -0.517 0.000 2.187 687 E HA 0.593 4.943 4.350 0.000 0.000 0.268 687 E C -1.876 174.393 176.600 -0.553 0.000 0.896 687 E CA -0.513 55.601 56.400 -0.476 0.000 0.766 687 E CB 1.133 30.699 29.700 -0.223 0.000 1.142 687 E HN 0.626 nan 8.360 nan 0.000 0.408 688 F N 1.712 121.591 119.950 -0.119 0.000 2.546 688 F HA 0.432 4.959 4.527 0.000 0.000 0.320 688 F C 0.233 175.815 175.800 -0.363 0.000 1.076 688 F CA -0.896 56.929 58.000 -0.292 0.000 0.928 688 F CB 1.735 40.515 39.000 -0.365 0.000 1.189 688 F HN 0.296 nan 8.300 nan 0.000 0.465 689 E N 2.217 122.216 120.200 -0.336 0.000 2.248 689 E HA 0.513 4.863 4.350 0.000 0.000 0.267 689 E C -2.009 174.300 176.600 -0.485 0.000 0.877 689 E CA -0.464 55.777 56.400 -0.265 0.000 0.759 689 E CB 1.712 31.341 29.700 -0.119 0.000 1.182 689 E HN 0.479 nan 8.360 nan 0.000 0.418 690 F N 1.253 121.230 119.950 0.046 0.000 2.563 690 F HA 0.318 4.845 4.527 0.000 0.000 0.316 690 F C 0.171 175.985 175.800 0.024 0.000 1.076 690 F CA -0.986 57.029 58.000 0.024 0.000 0.921 690 F CB 1.797 40.811 39.000 0.024 0.000 1.209 690 F HN 0.360 nan 8.300 nan 0.000 0.462 691 E N 1.554 121.862 120.200 0.181 0.000 2.133 691 E HA 0.618 4.968 4.350 0.000 0.000 0.274 691 E C -1.830 174.764 176.600 -0.011 0.000 0.930 691 E CA -0.499 55.938 56.400 0.062 0.000 0.770 691 E CB 1.382 31.090 29.700 0.013 0.000 1.104 691 E HN 0.446 nan 8.360 nan 0.000 0.403 692 V N 5.285 125.130 119.914 -0.116 0.000 2.350 692 V HA 0.153 4.273 4.120 0.000 0.000 0.285 692 V C 1.116 176.949 176.094 -0.436 0.000 1.014 692 V CA -0.050 62.072 62.300 -0.296 0.000 0.831 692 V CB 1.068 32.584 31.823 -0.511 0.000 1.000 692 V HN 0.995 nan 8.190 nan 0.000 0.433 693 T N 1.540 115.826 114.554 -0.446 0.000 3.014 693 T HA 0.038 4.388 4.350 0.000 0.000 0.263 693 T C 0.547 174.885 174.700 -0.602 0.000 1.078 693 T CA 0.501 62.164 62.100 -0.729 0.000 1.135 693 T CB 0.179 68.461 68.868 -0.977 0.000 0.895 693 T HN 0.354 nan 8.240 nan 0.000 0.480 694 V N 3.328 123.027 119.914 -0.358 0.000 2.405 694 V HA 0.307 4.428 4.120 0.000 0.000 0.253 694 V C -1.747 174.166 176.094 -0.301 0.000 0.963 694 V CA -1.584 60.599 62.300 -0.195 0.000 1.003 694 V CB 1.105 32.954 31.823 0.042 0.000 1.251 694 V HN 0.179 nan 8.190 nan 0.000 0.520 695 P HA -0.159 nan 4.420 nan 0.000 0.218 695 P C 0.888 177.884 177.300 -0.507 0.000 1.146 695 P CA 1.240 63.754 63.100 -0.977 0.000 0.813 695 P CB 0.484 31.328 31.700 -1.427 0.000 0.778 696 D N -0.713 119.561 120.400 -0.209 0.000 2.310 696 D HA -0.012 4.628 4.640 0.000 0.000 0.212 696 D C 1.628 177.900 176.300 -0.046 0.000 0.965 696 D CA 0.755 54.724 54.000 -0.051 0.000 0.879 696 D CB -0.125 40.720 40.800 0.076 0.000 0.921 696 D HN 0.289 nan 8.370 nan 0.000 0.510 697 L N -0.407 120.796 121.223 -0.033 0.000 2.808 697 L HA 0.330 4.671 4.340 0.000 0.000 0.246 697 L C 0.649 177.538 176.870 0.031 0.000 1.153 697 L CA -0.294 54.552 54.840 0.009 0.000 0.956 697 L CB 0.532 42.643 42.059 0.086 0.000 1.270 697 L HN -0.163 nan 8.230 nan 0.000 0.528 698 A N 0.650 123.465 122.820 -0.008 0.000 2.295 698 A HA 0.793 5.113 4.320 0.000 0.000 0.318 698 A C -0.791 176.891 177.584 0.163 0.000 1.134 698 A CA -0.209 51.861 52.037 0.055 0.000 0.827 698 A CB 0.951 19.918 19.000 -0.055 0.000 1.136 698 A HN 0.120 nan 8.150 nan 0.000 0.493 699 L N 0.684 122.009 121.223 0.169 0.000 2.409 699 L HA 0.575 4.915 4.340 0.000 0.000 0.262 699 L C -0.750 176.192 176.870 0.121 0.000 0.992 699 L CA -0.493 54.437 54.840 0.151 0.000 0.817 699 L CB 2.283 44.422 42.059 0.133 0.000 1.350 699 L HN 0.401 nan 8.230 nan 0.000 0.411 700 V N 1.930 121.871 119.914 0.046 0.000 2.448 700 V HA 0.613 4.733 4.120 0.000 0.000 0.295 700 V C -0.322 175.700 176.094 -0.121 0.000 1.025 700 V CA -0.620 61.608 62.300 -0.119 0.000 0.859 700 V CB 1.737 33.441 31.823 -0.197 0.000 0.988 700 V HN 0.709 nan 8.190 nan 0.000 0.431 701 R N 3.576 123.945 120.500 -0.218 0.000 2.599 701 R HA 0.663 5.003 4.340 0.000 0.000 0.295 701 R C -1.863 174.225 176.300 -0.354 0.000 0.963 701 R CA -0.530 55.514 56.100 -0.093 0.000 0.883 701 R CB 1.436 31.821 30.300 0.142 0.000 1.171 701 R HN 0.520 nan 8.270 nan 0.000 0.450 702 F N 4.284 124.257 119.950 0.038 0.000 2.426 702 F HA 0.464 4.991 4.527 0.000 0.000 0.348 702 F C 0.157 175.959 175.800 0.002 0.000 1.124 702 F CA -0.641 57.362 58.000 0.005 0.000 1.008 702 F CB 1.932 40.933 39.000 0.002 0.000 1.139 702 F HN 0.288 nan 8.300 nan 0.000 0.452 703 M N 4.400 124.061 119.600 0.102 0.000 2.326 703 M HA 0.712 5.192 4.480 0.000 0.000 0.306 703 M C -1.957 174.312 176.300 -0.051 0.000 1.054 703 M CA -0.658 54.658 55.300 0.027 0.000 0.922 703 M CB 1.573 34.207 32.600 0.057 0.000 1.632 703 M HN 0.309 nan 8.290 nan 0.000 0.436 704 V N 4.277 124.103 119.914 -0.148 0.000 2.417 704 V HA 0.507 4.627 4.120 0.000 0.000 0.291 704 V C -0.477 175.531 176.094 -0.143 0.000 1.024 704 V CA -0.583 61.642 62.300 -0.125 0.000 0.861 704 V CB 1.588 33.356 31.823 -0.092 0.000 0.985 704 V HN 0.866 nan 8.190 nan 0.000 0.436 705 E N 2.023 122.209 120.200 -0.024 0.000 2.244 705 E HA 0.391 4.741 4.350 0.000 0.000 0.266 705 E C -1.324 175.335 176.600 0.098 0.000 0.914 705 E CA -0.831 55.589 56.400 0.033 0.000 0.794 705 E CB 2.265 32.013 29.700 0.080 0.000 1.210 705 E HN 0.669 nan 8.360 nan 0.000 0.414 706 D N 1.658 122.118 120.400 0.101 0.000 2.359 706 D HA 0.058 4.698 4.640 0.000 0.000 0.230 706 D C -1.338 175.048 176.300 0.143 0.000 1.118 706 D CA -0.391 53.684 54.000 0.125 0.000 0.844 706 D CB 0.158 41.010 40.800 0.087 0.000 1.059 706 D HN 0.313 nan 8.370 nan 0.000 0.493 707 Y N 3.601 123.946 120.300 0.075 0.000 2.442 707 Y HA 0.264 4.814 4.550 0.000 0.000 0.330 707 Y C -0.702 175.232 175.900 0.057 0.000 1.129 707 Y CA 0.303 58.444 58.100 0.068 0.000 1.365 707 Y CB 0.568 39.075 38.460 0.077 0.000 1.233 707 Y HN 0.252 nan 8.280 nan 0.000 0.529 708 D N 3.801 123.692 120.400 -0.849 0.000 2.863 708 D HA 0.142 4.782 4.640 0.000 0.000 0.245 708 D C 0.284 176.058 176.300 -0.876 0.000 1.211 708 D CA -0.289 53.342 54.000 -0.615 0.000 0.888 708 D CB 2.114 42.761 40.800 -0.254 0.000 1.483 708 D HN 0.683 nan 8.370 nan 0.000 0.533 709 S N 0.693 116.042 115.700 -0.584 0.000 2.357 709 S HA -0.154 4.316 4.470 0.000 0.000 0.221 709 S C 1.817 176.337 174.600 -0.134 0.000 1.031 709 S CA 1.020 59.063 58.200 -0.261 0.000 0.982 709 S CB -0.138 63.078 63.200 0.026 0.000 0.853 709 S HN 0.492 nan 8.310 nan 0.000 0.458 710 S N 2.027 117.664 115.700 -0.106 0.000 2.377 710 S HA 0.091 4.561 4.470 0.000 0.000 0.223 710 S C 1.269 175.833 174.600 -0.060 0.000 1.030 710 S CA 0.395 58.561 58.200 -0.056 0.000 0.970 710 S CB -0.498 62.681 63.200 -0.034 0.000 0.830 710 S HN 0.682 nan 8.310 nan 0.000 0.473 711 S N 0.818 116.466 115.700 -0.087 0.000 2.766 711 S HA 0.654 5.125 4.470 0.000 0.000 0.307 711 S C -0.582 173.971 174.600 -0.077 0.000 1.121 711 S CA -0.924 57.239 58.200 -0.063 0.000 0.980 711 S CB 1.198 64.372 63.200 -0.044 0.000 1.159 711 S HN 0.201 nan 8.310 nan 0.000 0.546 712 K N 1.056 121.433 120.400 -0.038 0.000 2.326 712 K HA 0.231 4.551 4.320 0.000 0.000 0.275 712 K C -0.656 175.930 176.600 -0.025 0.000 1.018 712 K CA -0.072 56.202 56.287 -0.021 0.000 0.962 712 K CB 0.009 32.514 32.500 0.008 0.000 0.953 712 K HN 0.570 nan 8.250 nan 0.000 0.475 713 N N 3.714 122.408 118.700 -0.011 0.000 2.452 713 N HA 0.004 4.744 4.740 0.000 0.000 0.266 713 N C -0.935 174.613 175.510 0.063 0.000 1.209 713 N CA 0.079 53.136 53.050 0.012 0.000 0.929 713 N CB 0.321 38.846 38.487 0.063 0.000 1.063 713 N HN 0.549 nan 8.380 nan 0.000 0.472 714 D N 0.940 121.379 120.400 0.065 0.000 2.423 714 D HA -0.006 4.634 4.640 0.000 0.000 0.238 714 D C -0.058 176.337 176.300 0.159 0.000 1.142 714 D CA 0.033 54.098 54.000 0.108 0.000 0.884 714 D CB 0.386 41.239 40.800 0.089 0.000 1.199 714 D HN 0.342 nan 8.370 nan 0.000 0.438 715 F N 2.343 122.323 119.950 0.050 0.000 2.427 715 F HA 0.251 4.778 4.527 0.000 0.000 0.352 715 F C 0.624 176.466 175.800 0.070 0.000 1.100 715 F CA -0.301 57.736 58.000 0.061 0.000 1.191 715 F CB 0.388 39.420 39.000 0.055 0.000 1.128 715 F HN 0.298 nan 8.300 nan 0.000 0.533 716 I N 3.486 123.853 120.570 -0.339 0.000 2.947 716 I HA 0.344 4.514 4.170 0.000 0.000 0.263 716 I C 1.118 177.039 176.117 -0.327 0.000 1.130 716 I CA 0.431 61.614 61.300 -0.195 0.000 1.448 716 I CB -0.068 37.861 38.000 -0.118 0.000 1.222 716 I HN 0.715 nan 8.210 nan 0.000 0.453 717 G N 0.193 108.554 108.800 -0.731 0.000 2.523 717 G HA2 0.474 4.435 3.960 0.000 0.000 0.291 717 G HA3 0.474 4.435 3.960 0.000 0.000 0.291 717 G C -1.982 172.687 174.900 -0.384 0.000 1.450 717 G CA -0.189 44.696 45.100 -0.358 0.000 0.790 717 G HN -0.025 nan 8.290 nan 0.000 0.496 718 Q N -0.758 119.060 119.800 0.031 0.000 2.575 718 Q HA 0.720 5.060 4.340 0.000 0.000 0.290 718 Q C -1.910 174.211 176.000 0.201 0.000 0.963 718 Q CA -0.691 55.199 55.803 0.145 0.000 0.783 718 Q CB 2.028 30.967 28.738 0.335 0.000 1.467 718 Q HN 1.130 nan 8.270 nan 0.000 0.402 719 S N 0.371 116.220 115.700 0.248 0.000 2.563 719 S HA 0.631 5.101 4.470 0.000 0.000 0.279 719 S C -1.803 173.001 174.600 0.340 0.000 1.155 719 S CA -0.167 58.194 58.200 0.268 0.000 0.928 719 S CB 1.662 64.997 63.200 0.225 0.000 1.107 719 S HN 0.520 nan 8.310 nan 0.000 0.462 720 T N 4.874 119.597 114.554 0.283 0.000 2.812 720 T HA 0.612 4.963 4.350 0.000 0.000 0.282 720 T C -0.794 174.073 174.700 0.278 0.000 0.990 720 T CA -0.339 61.906 62.100 0.243 0.000 0.960 720 T CB 0.618 69.582 68.868 0.160 0.000 0.948 720 T HN 0.548 nan 8.240 nan 0.000 0.438 721 I N 4.858 125.548 120.570 0.200 0.000 2.447 721 I HA 0.349 4.519 4.170 0.000 0.000 0.287 721 I C -2.511 173.566 176.117 -0.067 0.000 1.023 721 I CA -2.823 58.500 61.300 0.038 0.000 1.083 721 I CB 2.412 40.395 38.000 -0.028 0.000 1.245 721 I HN 0.295 nan 8.210 nan 0.000 0.434 722 P HA -0.098 nan 4.420 nan 0.000 0.268 722 P C 0.605 177.871 177.300 -0.056 0.000 1.204 722 P CA -0.035 63.023 63.100 -0.070 0.000 0.768 722 P CB 0.636 32.271 31.700 -0.108 0.000 0.842 723 W N 4.578 125.808 121.300 -0.117 0.000 2.280 723 W HA -0.291 4.369 4.660 0.000 0.000 0.332 723 W C 0.780 177.242 176.519 -0.096 0.000 1.300 723 W CA 1.920 59.204 57.345 -0.100 0.000 1.274 723 W CB -0.885 28.529 29.460 -0.078 0.000 1.141 723 W HN 0.361 nan 8.180 nan 0.000 0.474 724 N N 0.308 119.125 118.700 0.194 0.000 2.609 724 N HA -0.076 4.664 4.740 0.000 0.000 0.190 724 N C 1.037 176.578 175.510 0.051 0.000 1.157 724 N CA 1.211 54.339 53.050 0.129 0.000 0.918 724 N CB -0.141 38.465 38.487 0.199 0.000 0.978 724 N HN 0.041 nan 8.380 nan 0.000 0.448 725 S N -0.054 115.575 115.700 -0.120 0.000 2.603 725 S HA 0.162 4.632 4.470 0.000 0.000 0.232 725 S C 0.259 174.578 174.600 -0.468 0.000 1.016 725 S CA -0.516 57.531 58.200 -0.254 0.000 0.976 725 S CB 0.670 63.584 63.200 -0.476 0.000 0.921 725 S HN 0.113 nan 8.310 nan 0.000 0.516 726 L N 4.047 125.018 121.223 -0.420 0.000 2.407 726 L HA 0.281 4.621 4.340 0.000 0.000 0.282 726 L C 0.047 176.708 176.870 -0.348 0.000 1.110 726 L CA 0.142 54.740 54.840 -0.402 0.000 0.863 726 L CB -0.044 41.711 42.059 -0.506 0.000 1.207 726 L HN -0.081 nan 8.230 nan 0.000 0.454 727 K N 4.375 124.611 120.400 -0.272 0.000 2.202 727 K HA 0.242 4.562 4.320 0.000 0.000 0.264 727 K C -0.305 176.163 176.600 -0.221 0.000 1.010 727 K CA -0.435 55.715 56.287 -0.227 0.000 0.940 727 K CB 0.935 33.331 32.500 -0.172 0.000 0.983 727 K HN 0.642 nan 8.250 nan 0.000 0.475 728 Q N -0.478 119.197 119.800 -0.207 0.000 2.195 728 Q HA 0.488 4.828 4.340 0.000 0.000 0.250 728 Q C 0.404 176.264 176.000 -0.234 0.000 0.988 728 Q CA -0.510 55.158 55.803 -0.224 0.000 0.911 728 Q CB 1.575 30.183 28.738 -0.217 0.000 1.258 728 Q HN 0.854 nan 8.270 nan 0.000 0.475 729 G N -0.192 108.424 108.800 -0.306 0.000 2.499 729 G HA2 -0.279 3.681 3.960 0.000 0.000 0.232 729 G HA3 -0.279 3.681 3.960 0.000 0.000 0.232 729 G C -1.340 173.291 174.900 -0.448 0.000 1.251 729 G CA -0.618 44.240 45.100 -0.402 0.000 0.917 729 G HN 0.468 nan 8.290 nan 0.000 0.580 730 Y N 2.521 122.732 120.300 -0.149 0.000 2.365 730 Y HA 0.697 5.247 4.550 0.000 0.000 0.340 730 Y C 1.307 177.088 175.900 -0.199 0.000 1.016 730 Y CA 0.006 57.980 58.100 -0.211 0.000 1.196 730 Y CB 1.033 39.569 38.460 0.128 0.000 1.167 730 Y HN 0.520 nan 8.280 nan 0.000 0.509 731 R N 1.335 121.684 120.500 -0.252 0.000 2.764 731 R HA 0.394 4.734 4.340 0.000 0.000 0.270 731 R C -1.565 174.598 176.300 -0.229 0.000 1.014 731 R CA -1.352 54.648 56.100 -0.166 0.000 0.904 731 R CB 1.560 31.761 30.300 -0.165 0.000 1.236 731 R HN 0.700 nan 8.270 nan 0.000 0.466 732 H N -0.591 118.519 119.070 0.066 0.000 2.459 732 H HA 0.408 4.964 4.556 0.000 0.000 0.332 732 H C -0.469 174.906 175.328 0.079 0.000 1.094 732 H CA -0.504 55.615 56.048 0.119 0.000 1.224 732 H CB 1.924 31.786 29.762 0.167 0.000 1.449 732 H HN 0.031 nan 8.280 nan 0.000 0.484 733 V N 4.368 124.316 119.914 0.057 0.000 2.364 733 V HA 0.060 4.180 4.120 0.000 0.000 0.272 733 V C -0.354 175.816 176.094 0.128 0.000 1.036 733 V CA -0.617 61.648 62.300 -0.058 0.000 0.880 733 V CB 0.223 31.756 31.823 -0.484 0.000 0.991 733 V HN 0.786 nan 8.190 nan 0.000 0.460 734 H N 5.062 124.122 119.070 -0.016 0.000 2.846 734 H HA 0.406 4.962 4.556 0.000 0.000 0.278 734 H C 0.010 175.363 175.328 0.042 0.000 1.117 734 H CA -0.395 55.663 56.048 0.016 0.000 1.406 734 H CB 0.279 30.048 29.762 0.012 0.000 1.445 734 H HN 0.496 nan 8.280 nan 0.000 0.469 735 L N 4.472 125.767 121.223 0.119 0.000 2.453 735 L HA 0.131 4.472 4.340 0.000 0.000 0.272 735 L C 0.119 177.111 176.870 0.203 0.000 1.182 735 L CA 0.055 54.980 54.840 0.142 0.000 0.858 735 L CB 0.341 42.461 42.059 0.101 0.000 1.120 735 L HN 0.382 nan 8.230 nan 0.000 0.474 736 L N 2.031 123.371 121.223 0.194 0.000 2.330 736 L HA 0.456 4.796 4.340 0.000 0.000 0.271 736 L C 0.563 177.576 176.870 0.239 0.000 1.013 736 L CA -0.569 54.357 54.840 0.143 0.000 0.816 736 L CB 1.975 44.102 42.059 0.114 0.000 1.287 736 L HN 0.739 nan 8.230 nan 0.000 0.435 737 S N 0.464 116.196 115.700 0.053 0.000 2.634 737 S HA 0.151 4.621 4.470 0.000 0.000 0.261 737 S C 0.928 175.631 174.600 0.171 0.000 1.271 737 S CA -0.381 57.924 58.200 0.175 0.000 0.985 737 S CB 0.911 64.067 63.200 -0.074 0.000 0.968 737 S HN 0.676 nan 8.310 nan 0.000 0.568 738 K N 0.527 120.961 120.400 0.057 0.000 2.113 738 K HA -0.095 4.225 4.320 0.000 0.000 0.208 738 K C 1.044 177.555 176.600 -0.148 0.000 1.047 738 K CA 1.604 57.731 56.287 -0.266 0.000 0.928 738 K CB -0.336 32.013 32.500 -0.252 0.000 0.716 738 K HN 0.591 nan 8.250 nan 0.000 0.446 739 N N -0.445 118.208 118.700 -0.079 0.000 2.383 739 N HA 0.013 4.753 4.740 0.000 0.000 0.192 739 N C 0.681 176.157 175.510 -0.057 0.000 1.141 739 N CA 0.980 53.987 53.050 -0.072 0.000 0.851 739 N CB 1.032 39.487 38.487 -0.054 0.000 0.976 739 N HN 0.363 nan 8.380 nan 0.000 0.465 740 G N 0.990 109.767 108.800 -0.039 0.000 2.143 740 G HA2 -0.224 3.737 3.960 0.000 0.000 0.248 740 G HA3 -0.224 3.737 3.960 0.000 0.000 0.248 740 G C -0.495 174.386 174.900 -0.032 0.000 0.991 740 G CA -0.085 45.003 45.100 -0.019 0.000 0.689 740 G HN 0.285 nan 8.290 nan 0.000 0.522 741 D N 0.484 120.843 120.400 -0.070 0.000 2.313 741 D HA 0.340 4.981 4.640 0.000 0.000 0.247 741 D C 0.708 176.913 176.300 -0.159 0.000 1.094 741 D CA -0.148 53.790 54.000 -0.103 0.000 0.925 741 D CB 0.681 41.404 40.800 -0.128 0.000 1.188 741 D HN 0.150 nan 8.370 nan 0.000 0.430 742 Q N 0.676 120.413 119.800 -0.105 0.000 2.373 742 Q HA 0.072 4.412 4.340 0.000 0.000 0.255 742 Q C -0.300 175.625 176.000 -0.125 0.000 0.980 742 Q CA 0.334 56.100 55.803 -0.062 0.000 0.882 742 Q CB 0.690 29.432 28.738 0.006 0.000 1.249 742 Q HN 0.376 nan 8.270 nan 0.000 0.438 743 H N 3.500 122.599 119.070 0.048 0.000 2.645 743 H HA 0.146 4.702 4.556 0.000 0.000 0.257 743 H C -1.425 173.906 175.328 0.005 0.000 1.269 743 H CA -2.157 53.908 56.048 0.028 0.000 1.409 743 H CB 0.868 30.646 29.762 0.027 0.000 1.434 743 H HN 0.392 nan 8.280 nan 0.000 0.505 744 P HA -0.189 nan 4.420 nan 0.000 0.219 744 P C 0.776 178.075 177.300 -0.001 0.000 1.153 744 P CA 1.381 64.521 63.100 0.067 0.000 0.865 744 P CB 0.494 32.230 31.700 0.060 0.000 0.788 745 S N -1.852 113.842 115.700 -0.011 0.000 2.559 745 S HA 0.399 4.870 4.470 0.000 0.000 0.226 745 S C 1.001 175.526 174.600 -0.125 0.000 1.000 745 S CA -0.107 58.043 58.200 -0.083 0.000 0.948 745 S CB 0.358 63.530 63.200 -0.046 0.000 0.870 745 S HN 0.270 nan 8.310 nan 0.000 0.497 746 A N 2.756 125.527 122.820 -0.082 0.000 2.302 746 A HA 0.615 4.935 4.320 0.000 0.000 0.295 746 A C 0.513 178.022 177.584 -0.126 0.000 1.235 746 A CA -0.247 51.732 52.037 -0.097 0.000 0.876 746 A CB -0.039 18.901 19.000 -0.099 0.000 1.133 746 A HN 0.331 nan 8.150 nan 0.000 0.533 747 T N 0.028 114.507 114.554 -0.126 0.000 2.812 747 T HA 0.736 5.086 4.350 0.000 0.000 0.294 747 T C -0.690 174.027 174.700 0.028 0.000 1.159 747 T CA -0.792 61.248 62.100 -0.100 0.000 1.008 747 T CB 1.003 69.766 68.868 -0.176 0.000 1.289 747 T HN 0.430 nan 8.240 nan 0.000 0.514 748 L N 1.025 122.292 121.223 0.074 0.000 2.381 748 L HA 0.691 5.032 4.340 0.000 0.000 0.268 748 L C -1.396 175.580 176.870 0.176 0.000 0.997 748 L CA -1.053 53.852 54.840 0.107 0.000 0.818 748 L CB 2.175 44.213 42.059 -0.035 0.000 1.310 748 L HN 0.700 nan 8.230 nan 0.000 0.416 749 F N 4.122 124.075 119.950 0.004 0.000 2.411 749 F HA 0.662 5.189 4.527 0.000 0.000 0.352 749 F C -0.320 175.414 175.800 -0.111 0.000 1.123 749 F CA -0.653 57.225 58.000 -0.204 0.000 1.044 749 F CB 1.300 40.187 39.000 -0.188 0.000 1.135 749 F HN 0.138 nan 8.300 nan 0.000 0.461 750 V N 2.771 122.268 119.914 -0.696 0.000 3.167 750 V HA 0.679 4.799 4.120 0.000 0.000 0.310 750 V C -1.574 174.139 176.094 -0.634 0.000 1.207 750 V CA -1.217 60.778 62.300 -0.509 0.000 1.059 750 V CB 1.933 33.593 31.823 -0.270 0.000 1.079 750 V HN 0.775 nan 8.190 nan 0.000 0.446 751 K N 1.195 121.340 120.400 -0.424 0.000 2.463 751 K HA 0.757 5.077 4.320 0.000 0.000 0.255 751 K C -1.669 174.740 176.600 -0.318 0.000 0.942 751 K CA -0.564 55.431 56.287 -0.487 0.000 0.814 751 K CB 1.626 33.794 32.500 -0.553 0.000 1.122 751 K HN 0.799 nan 8.250 nan 0.000 0.425 752 I N 2.110 122.496 120.570 -0.305 0.000 2.562 752 I HA 0.366 4.536 4.170 0.000 0.000 0.301 752 I C -0.494 175.488 176.117 -0.225 0.000 1.003 752 I CA -0.589 60.585 61.300 -0.210 0.000 1.127 752 I CB 2.126 40.013 38.000 -0.189 0.000 1.304 752 I HN 0.568 nan 8.210 nan 0.000 0.446 753 S N 6.543 122.141 115.700 -0.170 0.000 2.575 753 S HA 0.685 5.156 4.470 0.000 0.000 0.278 753 S C -1.169 173.364 174.600 -0.112 0.000 1.139 753 S CA -0.536 57.569 58.200 -0.157 0.000 0.954 753 S CB 0.950 64.064 63.200 -0.143 0.000 1.054 753 S HN 0.460 nan 8.310 nan 0.000 0.483 754 I N 4.698 125.202 120.570 -0.111 0.000 2.418 754 I HA 0.440 4.611 4.170 0.000 0.000 0.287 754 I C -0.039 176.075 176.117 -0.005 0.000 1.008 754 I CA -0.463 60.810 61.300 -0.044 0.000 1.104 754 I CB 1.798 39.744 38.000 -0.091 0.000 1.264 754 I HN 0.824 nan 8.210 nan 0.000 0.438 755 Q N 4.106 123.923 119.800 0.030 0.000 3.022 755 Q HA 0.641 4.981 4.340 0.000 0.000 0.313 755 Q C -1.643 174.377 176.000 0.033 0.000 1.018 755 Q CA -0.937 54.875 55.803 0.016 0.000 0.799 755 Q CB 1.782 30.517 28.738 -0.006 0.000 1.498 755 Q HN 0.375 nan 8.270 nan 0.000 0.494 756 D N 0.000 120.409 120.400 0.014 0.000 6.856 756 D HA 0.000 4.640 4.640 0.000 0.000 0.175 756 D CA 0.000 54.004 54.000 0.006 0.000 0.868 756 D CB 0.000 40.800 40.800 0.001 0.000 0.688 756 D HN 0.000 nan 8.370 nan 0.000 0.683