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 1djg_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 0.000 175.504 175.510 -0.010 0.000 1.280 158 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 158 N CB 0.000 38.484 38.487 -0.005 0.000 1.341 159 K N 0.703 121.099 120.400 -0.007 0.000 2.557 159 K HA 0.470 4.790 4.320 0.000 0.000 0.257 159 K C -1.261 175.340 176.600 0.002 0.000 0.933 159 K CA -0.532 55.748 56.287 -0.012 0.000 0.820 159 K CB 2.088 34.583 32.500 -0.007 0.000 1.330 159 K HN 0.026 nan 8.250 nan 0.000 0.432 160 M N 2.368 121.966 119.600 -0.003 0.000 2.264 160 M HA 0.323 4.803 4.480 0.000 0.000 0.352 160 M C -0.288 176.108 176.300 0.160 0.000 1.173 160 M CA -0.572 54.746 55.300 0.030 0.000 1.075 160 M CB 0.976 33.550 32.600 -0.043 0.000 1.621 160 M HN 0.721 nan 8.290 nan 0.000 0.457 161 N N 0.557 119.331 118.700 0.124 0.000 2.471 161 N HA 0.382 5.122 4.740 0.000 0.000 0.288 161 N C 0.258 175.696 175.510 -0.121 0.000 1.220 161 N CA -0.863 52.272 53.050 0.142 0.000 0.893 161 N CB 0.586 39.117 38.487 0.074 0.000 1.256 161 N HN 0.439 nan 8.380 nan 0.000 0.534 162 F N 0.614 120.133 119.950 -0.717 0.000 2.063 162 F HA -0.245 4.282 4.527 0.000 0.000 0.297 162 F C 1.772 177.357 175.800 -0.359 0.000 1.099 162 F CA 1.819 59.350 58.000 -0.782 0.000 1.220 162 F CB -0.461 38.124 39.000 -0.691 0.000 0.972 162 F HN 0.551 nan 8.300 nan 0.000 0.487 163 K N -0.015 120.260 120.400 -0.209 0.000 2.001 163 K HA -0.221 4.099 4.320 0.000 0.000 0.214 163 K C 1.878 178.392 176.600 -0.143 0.000 1.050 163 K CA 1.991 58.149 56.287 -0.214 0.000 0.934 163 K CB -0.482 31.947 32.500 -0.118 0.000 0.718 163 K HN 0.420 nan 8.250 nan 0.000 0.443 164 E N 0.740 120.896 120.200 -0.074 0.000 2.171 164 E HA -0.212 4.138 4.350 0.000 0.000 0.197 164 E C 2.013 178.622 176.600 0.014 0.000 0.997 164 E CA 0.888 57.279 56.400 -0.016 0.000 0.810 164 E CB -0.105 29.596 29.700 0.000 0.000 0.738 164 E HN 0.210 nan 8.360 nan 0.000 0.467 165 L N 1.163 122.357 121.223 -0.048 0.000 2.049 165 L HA -0.043 4.297 4.340 0.000 0.000 0.203 165 L C 2.231 179.140 176.870 0.065 0.000 1.074 165 L CA 1.264 56.106 54.840 0.004 0.000 0.749 165 L CB -0.929 41.079 42.059 -0.085 0.000 0.907 165 L HN 0.019 nan 8.230 nan 0.000 0.439 166 K N 0.175 120.484 120.400 -0.151 0.000 2.281 166 K HA -0.195 4.125 4.320 0.000 0.000 0.203 166 K C 1.652 178.215 176.600 -0.063 0.000 1.046 166 K CA 1.084 57.262 56.287 -0.181 0.000 0.938 166 K CB -0.180 32.046 32.500 -0.457 0.000 0.737 166 K HN 0.460 nan 8.250 nan 0.000 0.458 167 D N -0.028 120.356 120.400 -0.026 0.000 2.144 167 D HA -0.142 4.498 4.640 0.000 0.000 0.207 167 D C 1.865 178.218 176.300 0.088 0.000 0.970 167 D CA 0.465 54.471 54.000 0.010 0.000 0.853 167 D CB -0.256 40.538 40.800 -0.010 0.000 1.007 167 D HN 0.114 nan 8.370 nan 0.000 0.469 168 F N 1.859 121.803 119.950 -0.010 0.000 2.202 168 F HA -0.125 4.402 4.527 0.000 0.000 0.301 168 F C 2.077 177.907 175.800 0.050 0.000 1.082 168 F CA 1.044 59.061 58.000 0.028 0.000 1.313 168 F CB -0.347 38.685 39.000 0.053 0.000 1.024 168 F HN -0.066 nan 8.300 nan 0.000 0.495 169 L N 0.579 121.945 121.223 0.239 0.000 1.943 169 L HA -0.270 4.071 4.340 0.000 0.000 0.215 169 L C 2.561 179.382 176.870 -0.082 0.000 1.074 169 L CA 2.060 56.961 54.840 0.101 0.000 0.759 169 L CB -0.963 41.190 42.059 0.157 0.000 0.888 169 L HN 0.032 nan 8.230 nan 0.000 0.433 170 K N -0.072 120.298 120.400 -0.049 0.000 2.173 170 K HA -0.297 4.023 4.320 0.000 0.000 0.207 170 K C 1.917 178.464 176.600 -0.089 0.000 1.046 170 K CA 1.826 58.075 56.287 -0.063 0.000 0.929 170 K CB -0.309 32.164 32.500 -0.044 0.000 0.720 170 K HN 0.368 nan 8.250 nan 0.000 0.453 171 E N 1.126 121.251 120.200 -0.125 0.000 2.130 171 E HA -0.189 4.161 4.350 0.000 0.000 0.196 171 E C 0.746 177.242 176.600 -0.173 0.000 0.998 171 E CA 0.977 57.284 56.400 -0.155 0.000 0.806 171 E CB 0.057 29.628 29.700 -0.215 0.000 0.738 171 E HN 0.290 nan 8.360 nan 0.000 0.459 172 L N 1.907 123.000 121.223 -0.217 0.000 3.034 172 L HA 0.126 4.466 4.340 0.000 0.000 0.245 172 L C 0.361 177.184 176.870 -0.079 0.000 1.295 172 L CA -0.186 54.562 54.840 -0.153 0.000 1.068 172 L CB -0.273 41.672 42.059 -0.190 0.000 1.426 172 L HN 0.148 nan 8.230 nan 0.000 0.531 173 N N 1.288 119.947 118.700 -0.067 0.000 2.654 173 N HA -0.299 4.441 4.740 0.000 0.000 0.248 173 N C -0.272 175.221 175.510 -0.027 0.000 1.116 173 N CA 1.021 54.050 53.050 -0.035 0.000 0.730 173 N CB -1.564 36.913 38.487 -0.016 0.000 1.040 173 N HN 0.579 nan 8.380 nan 0.000 0.548 174 I N 1.064 121.581 120.570 -0.088 0.000 2.243 174 I HA 0.024 4.194 4.170 0.000 0.000 0.297 174 I C 0.737 176.728 176.117 -0.210 0.000 1.161 174 I CA -0.327 60.844 61.300 -0.216 0.000 1.298 174 I CB 0.154 37.935 38.000 -0.365 0.000 1.475 174 I HN 0.087 nan 8.210 nan 0.000 0.561 175 Q N 5.090 124.829 119.800 -0.101 0.000 2.536 175 Q HA -0.048 4.293 4.340 0.000 0.000 0.252 175 Q C 0.381 176.327 176.000 -0.090 0.000 1.321 175 Q CA 0.134 55.904 55.803 -0.055 0.000 0.927 175 Q CB -0.334 28.410 28.738 0.010 0.000 1.564 175 Q HN 0.507 nan 8.270 nan 0.000 0.518 176 V N 4.069 123.932 119.914 -0.084 0.000 3.147 176 V HA -0.270 3.851 4.120 0.000 0.000 0.231 176 V C 1.091 177.184 176.094 -0.001 0.000 0.962 176 V CA 0.787 63.062 62.300 -0.042 0.000 1.141 176 V CB -1.359 30.458 31.823 -0.009 0.000 0.867 176 V HN 0.661 nan 8.190 nan 0.000 0.497 177 D N 1.630 122.008 120.400 -0.036 0.000 2.164 177 D HA -0.276 4.364 4.640 0.000 0.000 0.595 177 D C 0.946 177.282 176.300 0.060 0.000 0.823 177 D CA 2.495 56.492 54.000 -0.005 0.000 1.672 177 D CB -0.073 40.736 40.800 0.015 0.000 0.508 177 D HN 0.828 nan 8.370 nan 0.000 0.376 178 D N -3.649 116.848 120.400 0.162 0.000 5.031 178 D HA 0.232 4.872 4.640 0.000 0.000 0.352 178 D C 0.243 176.681 176.300 0.230 0.000 1.806 178 D CA 0.366 54.462 54.000 0.160 0.000 1.004 178 D CB -0.354 40.525 40.800 0.133 0.000 1.536 178 D HN 0.181 nan 8.370 nan 0.000 0.691 179 G N -0.728 108.199 108.800 0.212 0.000 3.523 179 G HA2 0.126 4.086 3.960 0.000 0.000 0.270 179 G HA3 0.126 4.086 3.960 0.000 0.000 0.270 179 G C 0.371 175.384 174.900 0.187 0.000 1.134 179 G CA 0.311 45.530 45.100 0.198 0.000 0.825 179 G HN 0.312 nan 8.290 nan 0.000 0.534 180 Y N 1.134 121.495 120.300 0.102 0.000 2.301 180 Y HA 0.331 4.881 4.550 0.000 0.000 0.295 180 Y C 2.549 178.526 175.900 0.127 0.000 1.126 180 Y CA 1.163 59.310 58.100 0.079 0.000 1.154 180 Y CB -0.067 38.427 38.460 0.057 0.000 1.075 180 Y HN 0.156 nan 8.280 nan 0.000 0.534 181 A N 1.490 124.547 122.820 0.395 0.000 1.986 181 A HA -0.190 4.131 4.320 0.000 0.000 0.220 181 A C 2.346 180.099 177.584 0.282 0.000 1.171 181 A CA 1.648 53.945 52.037 0.433 0.000 0.640 181 A CB -0.695 18.655 19.000 0.584 0.000 0.811 181 A HN 0.474 nan 8.150 nan 0.000 0.451 182 R N -0.129 120.402 120.500 0.051 0.000 2.062 182 R HA -0.133 4.208 4.340 0.000 0.000 0.231 182 R C 2.343 178.519 176.300 -0.207 0.000 1.136 182 R CA 1.828 57.637 56.100 -0.485 0.000 0.948 182 R CB -0.444 29.648 30.300 -0.346 0.000 0.845 182 R HN 0.693 nan 8.270 nan 0.000 0.430 183 K N 0.415 120.734 120.400 -0.135 0.000 2.020 183 K HA -0.164 4.156 4.320 0.000 0.000 0.212 183 K C 2.012 178.530 176.600 -0.137 0.000 1.050 183 K CA 1.663 57.865 56.287 -0.141 0.000 0.929 183 K CB -0.161 32.238 32.500 -0.169 0.000 0.714 183 K HN 0.027 nan 8.250 nan 0.000 0.443 184 I N 0.967 121.417 120.570 -0.199 0.000 2.286 184 I HA -0.221 3.950 4.170 0.000 0.000 0.248 184 I C 2.277 178.506 176.117 0.187 0.000 1.115 184 I CA 1.118 62.347 61.300 -0.118 0.000 1.392 184 I CB -1.201 36.620 38.000 -0.298 0.000 1.065 184 I HN 0.225 nan 8.210 nan 0.000 0.418 185 F N 1.783 121.805 119.950 0.119 0.000 2.075 185 F HA -0.263 4.264 4.527 0.000 0.000 0.297 185 F C 2.736 178.453 175.800 -0.137 0.000 1.113 185 F CA 1.635 59.605 58.000 -0.051 0.000 1.218 185 F CB -0.248 38.556 39.000 -0.327 0.000 0.984 185 F HN -0.118 nan 8.300 nan 0.000 0.472 186 R N 1.048 121.561 120.500 0.021 0.000 2.115 186 R HA -0.213 4.127 4.340 0.000 0.000 0.239 186 R C 2.170 178.365 176.300 -0.174 0.000 1.133 186 R CA 2.248 58.299 56.100 -0.082 0.000 0.935 186 R CB -0.966 29.296 30.300 -0.065 0.000 0.853 186 R HN 0.453 nan 8.270 nan 0.000 0.433 187 E N -1.042 119.074 120.200 -0.140 0.000 2.187 187 E HA -0.233 4.117 4.350 0.000 0.000 0.199 187 E C 1.651 178.111 176.600 -0.233 0.000 1.004 187 E CA 1.413 57.715 56.400 -0.163 0.000 0.813 187 E CB -0.168 29.458 29.700 -0.124 0.000 0.736 187 E HN 0.416 nan 8.360 nan 0.000 0.468 188 C N 0.642 119.799 119.300 -0.238 0.000 2.696 188 C HA 0.073 4.533 4.460 0.000 0.000 0.264 188 C C 0.890 175.654 174.990 -0.376 0.000 1.288 188 C CA -0.760 58.093 59.018 -0.275 0.000 1.717 188 C CB -0.753 26.902 27.740 -0.142 0.000 1.893 188 C HN 0.241 nan 8.230 nan 0.000 0.577 189 D N -0.093 120.061 120.400 -0.411 0.000 2.453 189 D HA 0.125 4.766 4.640 0.000 0.000 0.223 189 D C 0.931 177.086 176.300 -0.241 0.000 1.183 189 D CA 0.163 53.955 54.000 -0.347 0.000 0.933 189 D CB 0.081 40.653 40.800 -0.381 0.000 1.038 189 D HN 0.431 nan 8.370 nan 0.000 0.513 190 H N 0.811 119.807 119.070 -0.124 0.000 2.270 190 H HA -0.149 4.408 4.556 0.000 0.000 0.299 190 H C 2.268 177.555 175.328 -0.070 0.000 1.077 190 H CA 2.021 58.019 56.048 -0.082 0.000 1.294 190 H CB 0.083 29.805 29.762 -0.067 0.000 1.371 190 H HN 0.467 nan 8.280 nan 0.000 0.491 191 S N 0.188 115.926 115.700 0.064 0.000 2.400 191 S HA -0.332 4.138 4.470 0.000 0.000 0.234 191 S C 1.051 175.648 174.600 -0.005 0.000 1.049 191 S CA 1.579 59.788 58.200 0.016 0.000 1.039 191 S CB -0.104 63.092 63.200 -0.006 0.000 0.856 191 S HN 0.582 nan 8.310 nan 0.000 0.465 192 Q N -0.470 119.313 119.800 -0.027 0.000 2.464 192 Q HA -0.130 4.211 4.340 0.000 0.000 0.246 192 Q C 0.787 176.778 176.000 -0.015 0.000 0.763 192 Q CA 1.435 57.221 55.803 -0.029 0.000 1.233 192 Q CB -3.140 25.588 28.738 -0.017 0.000 1.361 192 Q HN 1.024 nan 8.270 nan 0.000 0.699 193 T N -3.758 110.788 114.554 -0.013 0.000 3.145 193 T HA 0.289 4.639 4.350 0.000 0.000 0.255 193 T C 0.304 175.026 174.700 0.036 0.000 1.039 193 T CA 0.440 62.544 62.100 0.007 0.000 0.928 193 T CB 0.285 69.156 68.868 0.004 0.000 1.029 193 T HN 0.074 nan 8.240 nan 0.000 0.554 194 D N 0.552 120.986 120.400 0.056 0.000 2.837 194 D HA -0.127 4.514 4.640 0.000 0.000 0.230 194 D C -0.739 175.724 176.300 0.271 0.000 1.152 194 D CA 0.843 54.965 54.000 0.202 0.000 0.736 194 D CB -1.597 39.295 40.800 0.153 0.000 1.084 194 D HN 0.543 nan 8.370 nan 0.000 0.429 195 S N -0.134 115.630 115.700 0.107 0.000 2.561 195 S HA 0.528 4.998 4.470 0.000 0.000 0.303 195 S C -0.019 174.528 174.600 -0.090 0.000 1.110 195 S CA -0.754 57.501 58.200 0.092 0.000 1.034 195 S CB 1.980 65.203 63.200 0.038 0.000 1.010 195 S HN 0.165 nan 8.310 nan 0.000 0.482 196 L N 3.293 124.443 121.223 -0.121 0.000 2.260 196 L HA 0.413 4.753 4.340 0.000 0.000 0.289 196 L C 0.114 176.906 176.870 -0.130 0.000 1.057 196 L CA -0.393 54.276 54.840 -0.285 0.000 0.811 196 L CB 0.982 42.785 42.059 -0.426 0.000 1.184 196 L HN 0.620 nan 8.230 nan 0.000 0.429 197 E N 1.586 121.722 120.200 -0.106 0.000 2.312 197 E HA 0.042 4.392 4.350 0.000 0.000 0.259 197 E C 0.489 177.058 176.600 -0.052 0.000 1.122 197 E CA -0.431 55.934 56.400 -0.059 0.000 0.922 197 E CB 0.764 30.439 29.700 -0.041 0.000 1.109 197 E HN 0.426 nan 8.360 nan 0.000 0.442 198 D N 1.043 121.421 120.400 -0.036 0.000 2.723 198 D HA -0.301 4.339 4.640 0.000 0.000 0.208 198 D C 1.282 177.568 176.300 -0.022 0.000 1.050 198 D CA 2.209 56.191 54.000 -0.029 0.000 0.893 198 D CB 0.125 40.913 40.800 -0.021 0.000 1.062 198 D HN 0.542 nan 8.370 nan 0.000 0.478 199 E N 0.186 120.378 120.200 -0.013 0.000 2.007 199 E HA -0.178 4.172 4.350 0.000 0.000 0.194 199 E C 2.231 178.840 176.600 0.014 0.000 0.999 199 E CA 1.064 57.466 56.400 0.004 0.000 0.811 199 E CB -0.297 29.407 29.700 0.006 0.000 0.762 199 E HN 0.462 nan 8.360 nan 0.000 0.450 200 E N 0.758 120.964 120.200 0.010 0.000 2.200 200 E HA -0.274 4.076 4.350 0.000 0.000 0.211 200 E C 2.161 178.760 176.600 -0.001 0.000 1.048 200 E CA 1.492 57.887 56.400 -0.007 0.000 0.851 200 E CB -0.460 29.194 29.700 -0.077 0.000 0.747 200 E HN 0.359 nan 8.360 nan 0.000 0.462 201 I N 0.919 121.471 120.570 -0.031 0.000 2.226 201 I HA -0.269 3.902 4.170 0.000 0.000 0.245 201 I C 2.342 178.518 176.117 0.099 0.000 1.100 201 I CA 1.298 62.583 61.300 -0.025 0.000 1.374 201 I CB -0.426 37.515 38.000 -0.099 0.000 1.057 201 I HN 0.157 nan 8.210 nan 0.000 0.413 202 E N 0.757 121.001 120.200 0.073 0.000 2.006 202 E HA -0.215 4.136 4.350 0.000 0.000 0.192 202 E C 2.160 178.870 176.600 0.184 0.000 0.993 202 E CA 2.177 58.649 56.400 0.121 0.000 0.808 202 E CB -0.364 29.376 29.700 0.068 0.000 0.764 202 E HN 0.557 nan 8.360 nan 0.000 0.449 203 T N -0.079 114.548 114.554 0.122 0.000 2.792 203 T HA -0.273 4.077 4.350 0.000 0.000 0.268 203 T C 1.699 176.465 174.700 0.111 0.000 1.059 203 T CA 1.425 63.583 62.100 0.096 0.000 1.136 203 T CB -0.534 68.371 68.868 0.063 0.000 0.846 203 T HN 0.194 nan 8.240 nan 0.000 0.489 204 F N 1.164 121.123 119.950 0.016 0.000 2.060 204 F HA 0.005 4.533 4.527 0.001 0.000 0.295 204 F C 2.295 178.153 175.800 0.097 0.000 1.120 204 F CA 0.921 58.932 58.000 0.018 0.000 1.205 204 F CB -0.900 38.094 39.000 -0.009 0.000 0.986 204 F HN 0.124 nan 8.300 nan 0.000 0.470 205 Y N 2.319 122.660 120.300 0.069 0.000 2.102 205 Y HA -0.329 4.221 4.550 0.001 0.000 0.280 205 Y C 2.296 178.173 175.900 -0.039 0.000 1.178 205 Y CA 2.672 60.788 58.100 0.028 0.000 1.146 205 Y CB -0.485 38.084 38.460 0.181 0.000 0.968 205 Y HN 0.069 nan 8.280 nan 0.000 0.504 206 K N -0.123 120.284 120.400 0.011 0.000 2.057 206 K HA -0.185 4.135 4.320 0.000 0.000 0.206 206 K C 2.193 178.714 176.600 -0.132 0.000 1.050 206 K CA 1.867 58.109 56.287 -0.075 0.000 0.935 206 K CB -0.890 31.638 32.500 0.046 0.000 0.715 206 K HN 0.457 nan 8.250 nan 0.000 0.439 207 M N 0.633 120.154 119.600 -0.133 0.000 2.149 207 M HA -0.143 4.338 4.480 0.000 0.000 0.261 207 M C 2.266 178.494 176.300 -0.121 0.000 1.064 207 M CA 1.182 56.408 55.300 -0.122 0.000 1.102 207 M CB -0.267 32.243 32.600 -0.151 0.000 1.369 207 M HN 0.068 nan 8.290 nan 0.000 0.408 208 L N -0.139 120.931 121.223 -0.255 0.000 2.027 208 L HA -0.103 4.237 4.340 0.000 0.000 0.206 208 L C 2.067 178.909 176.870 -0.047 0.000 1.074 208 L CA 1.738 56.468 54.840 -0.183 0.000 0.745 208 L CB -0.309 41.494 42.059 -0.427 0.000 0.898 208 L HN 0.338 nan 8.230 nan 0.000 0.433 209 T N -1.890 112.541 114.554 -0.205 0.000 3.258 209 T HA 0.181 4.531 4.350 0.000 0.000 0.259 209 T C 0.140 174.760 174.700 -0.133 0.000 0.963 209 T CA -0.635 61.386 62.100 -0.133 0.000 0.919 209 T CB -0.421 68.201 68.868 -0.409 0.000 1.110 209 T HN 0.501 nan 8.240 nan 0.000 0.550 210 Q N 1.173 120.915 119.800 -0.096 0.000 2.309 210 Q HA 0.461 4.801 4.340 0.000 0.000 0.264 210 Q C -1.059 174.883 176.000 -0.097 0.000 1.008 210 Q CA -1.074 54.675 55.803 -0.090 0.000 0.853 210 Q CB 1.560 30.258 28.738 -0.067 0.000 1.314 210 Q HN 0.367 nan 8.270 nan 0.000 0.448 211 R N 2.412 122.847 120.500 -0.109 0.000 2.335 211 R HA 0.366 4.706 4.340 0.000 0.000 0.302 211 R C 0.384 176.629 176.300 -0.093 0.000 1.147 211 R CA -0.023 56.002 56.100 -0.126 0.000 1.111 211 R CB 1.309 31.498 30.300 -0.184 0.000 1.122 211 R HN 0.859 nan 8.270 nan 0.000 0.557 212 A N 2.968 125.752 122.820 -0.060 0.000 1.986 212 A HA -0.242 4.078 4.320 0.000 0.000 0.220 212 A C 2.083 179.656 177.584 -0.019 0.000 1.171 212 A CA 1.684 53.703 52.037 -0.030 0.000 0.640 212 A CB -0.189 18.802 19.000 -0.015 0.000 0.811 212 A HN 0.791 nan 8.150 nan 0.000 0.451 213 E N 0.248 120.430 120.200 -0.031 0.000 2.118 213 E HA -0.205 4.145 4.350 0.000 0.000 0.195 213 E C 1.770 178.347 176.600 -0.037 0.000 0.992 213 E CA 1.522 57.923 56.400 0.002 0.000 0.804 213 E CB -0.530 29.209 29.700 0.064 0.000 0.741 213 E HN 0.494 nan 8.360 nan 0.000 0.458 214 I N 2.295 122.791 120.570 -0.124 0.000 2.286 214 I HA -0.164 4.007 4.170 0.000 0.000 0.245 214 I C 1.868 178.023 176.117 0.065 0.000 1.104 214 I CA 1.106 62.362 61.300 -0.074 0.000 1.397 214 I CB -1.194 36.721 38.000 -0.142 0.000 1.072 214 I HN 0.026 nan 8.210 nan 0.000 0.417 215 D N 0.683 121.087 120.400 0.008 0.000 2.103 215 D HA -0.231 4.409 4.640 0.000 0.000 0.190 215 D C 2.299 178.635 176.300 0.060 0.000 0.997 215 D CA 1.382 55.397 54.000 0.025 0.000 0.833 215 D CB -0.278 40.521 40.800 -0.002 0.000 0.961 215 D HN 0.197 nan 8.370 nan 0.000 0.447 216 R N 0.489 121.014 120.500 0.042 0.000 2.080 216 R HA -0.142 4.198 4.340 0.000 0.000 0.236 216 R C 2.178 178.507 176.300 0.048 0.000 1.137 216 R CA 1.732 57.859 56.100 0.045 0.000 0.943 216 R CB -0.326 30.005 30.300 0.051 0.000 0.846 216 R HN 0.136 nan 8.270 nan 0.000 0.431 217 A N 0.283 123.138 122.820 0.058 0.000 1.917 217 A HA -0.231 4.089 4.320 0.000 0.000 0.219 217 A C 2.035 179.603 177.584 -0.026 0.000 1.182 217 A CA 1.603 53.679 52.037 0.065 0.000 0.633 217 A CB -0.867 18.153 19.000 0.035 0.000 0.819 217 A HN 0.541 nan 8.150 nan 0.000 0.448 218 F N 1.401 121.160 119.950 -0.319 0.000 2.084 218 F HA -0.182 4.345 4.527 0.001 0.000 0.296 218 F C 2.539 178.070 175.800 -0.449 0.000 1.111 218 F CA 2.133 59.650 58.000 -0.806 0.000 1.224 218 F CB -0.489 38.139 39.000 -0.620 0.000 0.991 218 F HN 0.546 nan 8.300 nan 0.000 0.471 219 E N -0.284 119.839 120.200 -0.129 0.000 2.085 219 E HA -0.272 4.078 4.350 0.000 0.000 0.194 219 E C 1.924 178.421 176.600 -0.172 0.000 0.994 219 E CA 1.789 58.102 56.400 -0.146 0.000 0.801 219 E CB -0.956 28.735 29.700 -0.014 0.000 0.743 219 E HN 0.581 nan 8.360 nan 0.000 0.453 220 E N 0.693 120.834 120.200 -0.098 0.000 2.204 220 E HA -0.159 4.191 4.350 0.000 0.000 0.195 220 E C 2.044 178.593 176.600 -0.085 0.000 0.990 220 E CA 0.903 57.280 56.400 -0.037 0.000 0.821 220 E CB -0.065 29.679 29.700 0.073 0.000 0.750 220 E HN 0.464 nan 8.360 nan 0.000 0.477 221 A N 1.129 123.810 122.820 -0.232 0.000 1.855 221 A HA 0.058 4.378 4.320 0.000 0.000 0.213 221 A C 2.273 179.634 177.584 -0.372 0.000 1.195 221 A CA 1.391 53.249 52.037 -0.299 0.000 0.610 221 A CB -0.351 18.257 19.000 -0.654 0.000 0.837 221 A HN 0.268 nan 8.150 nan 0.000 0.444 222 A N -1.912 120.547 122.820 -0.602 0.000 2.030 222 A HA 0.443 4.763 4.320 0.000 0.000 0.215 222 A C 1.903 179.316 177.584 -0.285 0.000 1.164 222 A CA 1.476 53.209 52.037 -0.507 0.000 0.697 222 A CB -0.978 17.552 19.000 -0.785 0.000 0.827 222 A HN 2.006 nan 8.150 nan 0.000 0.457 223 G N -0.297 108.356 108.800 -0.244 0.000 2.523 223 G HA2 -0.356 3.604 3.960 0.000 0.000 0.271 223 G HA3 -0.356 3.604 3.960 0.000 0.000 0.271 223 G C 1.489 176.327 174.900 -0.104 0.000 1.146 223 G CA 1.488 46.506 45.100 -0.136 0.000 0.961 223 G HN 1.425 nan 8.290 nan 0.000 0.549 224 S N 1.247 116.903 115.700 -0.073 0.000 2.351 224 S HA 0.266 4.736 4.470 0.000 0.000 0.220 224 S C 1.936 176.511 174.600 -0.042 0.000 1.035 224 S CA 2.211 60.383 58.200 -0.046 0.000 1.031 224 S CB -1.045 62.133 63.200 -0.036 0.000 0.928 224 S HN 2.420 nan 8.310 nan 0.000 0.433 225 A N 1.722 124.509 122.820 -0.055 0.000 2.586 225 A HA 0.102 4.423 4.320 0.000 0.000 0.231 225 A C 0.907 178.480 177.584 -0.018 0.000 1.055 225 A CA 0.129 52.142 52.037 -0.040 0.000 0.756 225 A CB -0.123 18.843 19.000 -0.057 0.000 0.988 225 A HN 0.606 nan 8.150 nan 0.000 0.509 226 E N -0.141 120.082 120.200 0.037 0.000 2.465 226 E HA 0.047 4.397 4.350 0.000 0.000 0.191 226 E C -0.241 176.478 176.600 0.199 0.000 1.053 226 E CA 0.633 57.106 56.400 0.122 0.000 0.869 226 E CB 0.139 29.884 29.700 0.074 0.000 0.977 226 E HN 0.830 nan 8.360 nan 0.000 0.483 227 T N -1.178 113.436 114.554 0.099 0.000 2.903 227 T HA 0.418 4.768 4.350 0.000 0.000 0.299 227 T C -0.340 174.341 174.700 -0.031 0.000 1.093 227 T CA -0.756 61.419 62.100 0.125 0.000 1.002 227 T CB 1.965 70.877 68.868 0.073 0.000 1.127 227 T HN -0.080 nan 8.240 nan 0.000 0.488 228 L N 2.807 124.017 121.223 -0.021 0.000 2.292 228 L HA 0.526 4.866 4.340 0.000 0.000 0.284 228 L C 0.716 177.560 176.870 -0.043 0.000 1.065 228 L CA -0.531 54.221 54.840 -0.148 0.000 0.806 228 L CB 1.502 43.470 42.059 -0.152 0.000 1.175 228 L HN 1.028 nan 8.230 nan 0.000 0.431 229 S N 2.212 117.879 115.700 -0.055 0.000 2.687 229 S HA 0.300 4.770 4.470 0.000 0.000 0.283 229 S C 1.087 175.680 174.600 -0.011 0.000 1.170 229 S CA -0.931 57.257 58.200 -0.021 0.000 1.008 229 S CB 1.906 65.091 63.200 -0.026 0.000 1.026 229 S HN 0.335 nan 8.310 nan 0.000 0.541 230 V N 2.156 122.071 119.914 0.003 0.000 2.252 230 V HA -0.277 3.844 4.120 0.000 0.000 0.249 230 V C 2.725 178.827 176.094 0.012 0.000 1.056 230 V CA 2.709 65.016 62.300 0.011 0.000 1.022 230 V CB -1.456 30.375 31.823 0.012 0.000 0.641 230 V HN 1.047 nan 8.190 nan 0.000 0.445 231 E N 0.024 120.227 120.200 0.005 0.000 2.160 231 E HA -0.221 4.130 4.350 0.000 0.000 0.195 231 E C 2.236 178.842 176.600 0.010 0.000 0.991 231 E CA 1.238 57.642 56.400 0.007 0.000 0.810 231 E CB -0.368 29.331 29.700 -0.001 0.000 0.742 231 E HN 0.453 nan 8.360 nan 0.000 0.466 232 R N 0.045 120.540 120.500 -0.008 0.000 2.090 232 R HA -0.013 4.327 4.340 0.000 0.000 0.228 232 R C 2.316 178.632 176.300 0.026 0.000 1.110 232 R CA 0.965 57.052 56.100 -0.021 0.000 0.973 232 R CB -0.452 29.796 30.300 -0.085 0.000 0.869 232 R HN 0.254 nan 8.270 nan 0.000 0.440 233 L N 0.828 122.068 121.223 0.030 0.000 2.056 233 L HA -0.100 4.241 4.340 0.000 0.000 0.207 233 L C 2.112 179.071 176.870 0.149 0.000 1.078 233 L CA 1.464 56.360 54.840 0.094 0.000 0.749 233 L CB -0.415 41.676 42.059 0.054 0.000 0.901 233 L HN -0.154 nan 8.230 nan 0.000 0.433 234 V N -0.555 119.411 119.914 0.088 0.000 2.343 234 V HA -0.286 3.834 4.120 0.000 0.000 0.247 234 V C 2.457 178.611 176.094 0.100 0.000 1.051 234 V CA 2.172 64.519 62.300 0.078 0.000 1.036 234 V CB -0.938 30.912 31.823 0.045 0.000 0.654 234 V HN 0.553 nan 8.190 nan 0.000 0.451 235 T N 0.010 114.627 114.554 0.104 0.000 2.788 235 T HA -0.188 4.162 4.350 0.000 0.000 0.268 235 T C 1.664 176.482 174.700 0.197 0.000 1.044 235 T CA 1.832 63.999 62.100 0.111 0.000 1.139 235 T CB -0.376 68.533 68.868 0.069 0.000 0.867 235 T HN 0.453 nan 8.240 nan 0.000 0.454 236 F N 1.979 121.980 119.950 0.084 0.000 2.075 236 F HA -0.004 4.523 4.527 0.000 0.000 0.297 236 F C 1.936 177.825 175.800 0.147 0.000 1.113 236 F CA 0.975 59.064 58.000 0.149 0.000 1.218 236 F CB -0.670 38.432 39.000 0.170 0.000 0.984 236 F HN 0.026 nan 8.300 nan 0.000 0.472 237 L N -0.081 121.232 121.223 0.151 0.000 2.051 237 L HA -0.316 4.024 4.340 0.000 0.000 0.214 237 L C 2.439 179.275 176.870 -0.056 0.000 1.076 237 L CA 2.068 56.914 54.840 0.010 0.000 0.758 237 L CB -0.932 41.167 42.059 0.066 0.000 0.890 237 L HN 0.306 nan 8.230 nan 0.000 0.433 238 Q N -1.873 117.927 119.800 -0.001 0.000 2.123 238 Q HA -0.160 4.180 4.340 0.000 0.000 0.196 238 Q C 2.114 178.101 176.000 -0.021 0.000 0.958 238 Q CA 1.095 56.892 55.803 -0.009 0.000 0.841 238 Q CB -0.177 28.580 28.738 0.030 0.000 0.915 238 Q HN 0.470 nan 8.270 nan 0.000 0.455 239 H N 0.470 119.497 119.070 -0.072 0.000 2.333 239 H HA -0.031 4.525 4.556 0.000 0.000 0.302 239 H C 1.938 177.180 175.328 -0.143 0.000 1.075 239 H CA 1.588 57.592 56.048 -0.073 0.000 1.348 239 H CB 0.436 30.188 29.762 -0.016 0.000 1.393 239 H HN 0.056 nan 8.280 nan 0.000 0.509 240 Q N -0.267 119.361 119.800 -0.287 0.000 2.159 240 Q HA 0.012 4.353 4.340 0.000 0.000 0.194 240 Q C 2.028 177.739 176.000 -0.482 0.000 0.968 240 Q CA 0.719 56.244 55.803 -0.462 0.000 0.837 240 Q CB 0.008 28.413 28.738 -0.554 0.000 0.920 240 Q HN 0.538 nan 8.270 nan 0.000 0.485 241 Q N 1.052 120.549 119.800 -0.504 0.000 2.515 241 Q HA 0.021 4.361 4.340 0.000 0.000 0.212 241 Q C -0.067 175.804 176.000 -0.214 0.000 0.970 241 Q CA 0.109 55.723 55.803 -0.314 0.000 0.941 241 Q CB -0.006 28.611 28.738 -0.202 0.000 0.998 241 Q HN 0.359 nan 8.270 nan 0.000 0.518 242 R N 1.121 121.494 120.500 -0.212 0.000 3.484 242 R HA -0.156 4.184 4.340 0.000 0.000 0.260 242 R C -0.669 175.569 176.300 -0.104 0.000 1.053 242 R CA 0.622 56.630 56.100 -0.152 0.000 0.703 242 R CB -2.208 27.989 30.300 -0.171 0.000 1.089 242 R HN 0.302 nan 8.270 nan 0.000 0.459 243 E N 1.319 121.474 120.200 -0.075 0.000 2.360 243 E HA 0.045 4.396 4.350 0.000 0.000 0.269 243 E C 0.823 177.405 176.600 -0.030 0.000 1.022 243 E CA -0.070 56.305 56.400 -0.042 0.000 0.887 243 E CB 0.654 30.349 29.700 -0.009 0.000 0.990 243 E HN 0.310 nan 8.360 nan 0.000 0.426 244 E N 1.471 121.655 120.200 -0.027 0.000 2.299 244 E HA -0.070 4.280 4.350 0.000 0.000 0.193 244 E C 0.583 177.180 176.600 -0.004 0.000 0.998 244 E CA 0.450 56.840 56.400 -0.017 0.000 0.851 244 E CB 0.330 30.019 29.700 -0.018 0.000 0.795 244 E HN 0.437 nan 8.360 nan 0.000 0.492 245 E N 0.532 120.733 120.200 0.002 0.000 2.465 245 E HA 0.171 4.521 4.350 0.000 0.000 0.195 245 E C -0.242 176.367 176.600 0.015 0.000 1.028 245 E CA -0.385 56.022 56.400 0.011 0.000 0.899 245 E CB 0.725 30.434 29.700 0.016 0.000 1.032 245 E HN 0.073 nan 8.360 nan 0.000 0.468 246 A N 1.450 124.277 122.820 0.012 0.000 2.566 246 A HA 0.388 4.708 4.320 0.000 0.000 0.245 246 A C 0.637 178.233 177.584 0.020 0.000 1.056 246 A CA 1.084 53.131 52.037 0.018 0.000 0.757 246 A CB 0.106 19.114 19.000 0.014 0.000 0.979 246 A HN 0.274 nan 8.150 nan 0.000 0.508 247 G N 2.287 111.100 108.800 0.023 0.000 2.356 247 G HA2 0.473 4.433 3.960 0.000 0.000 0.294 247 G HA3 0.473 4.433 3.960 0.000 0.000 0.294 247 G C -2.473 172.439 174.900 0.021 0.000 1.423 247 G CA -0.057 45.056 45.100 0.021 0.000 0.806 247 G HN 0.247 nan 8.290 nan 0.000 0.527 248 P HA -0.157 nan 4.420 nan 0.000 0.216 248 P C 2.232 179.542 177.300 0.016 0.000 1.157 248 P CA 2.834 65.944 63.100 0.017 0.000 0.880 248 P CB 0.087 31.795 31.700 0.013 0.000 0.791 249 A N -0.664 122.166 122.820 0.015 0.000 1.869 249 A HA -0.247 4.073 4.320 0.000 0.000 0.218 249 A C 2.226 179.820 177.584 0.017 0.000 1.203 249 A CA 2.238 54.284 52.037 0.015 0.000 0.638 249 A CB -1.758 17.252 19.000 0.016 0.000 0.831 249 A HN 0.210 nan 8.150 nan 0.000 0.450 250 L N -0.494 120.742 121.223 0.022 0.000 2.027 250 L HA -0.023 4.317 4.340 0.000 0.000 0.206 250 L C 2.760 179.641 176.870 0.019 0.000 1.074 250 L CA 2.328 57.184 54.840 0.027 0.000 0.745 250 L CB -0.930 41.149 42.059 0.033 0.000 0.898 250 L HN 0.379 nan 8.230 nan 0.000 0.433 251 A N -0.615 122.214 122.820 0.016 0.000 1.940 251 A HA -0.202 4.118 4.320 0.000 0.000 0.219 251 A C 2.261 179.853 177.584 0.013 0.000 1.176 251 A CA 2.140 54.184 52.037 0.012 0.000 0.631 251 A CB -0.897 18.117 19.000 0.024 0.000 0.814 251 A HN 0.525 nan 8.150 nan 0.000 0.446 252 L N 0.137 121.368 121.223 0.013 0.000 2.005 252 L HA -0.181 4.159 4.340 0.000 0.000 0.207 252 L C 3.079 179.951 176.870 0.003 0.000 1.072 252 L CA 1.649 56.495 54.840 0.011 0.000 0.744 252 L CB -0.619 41.445 42.059 0.009 0.000 0.895 252 L HN 0.568 nan 8.230 nan 0.000 0.433 253 S N 0.177 115.877 115.700 -0.001 0.000 2.383 253 S HA -0.181 4.289 4.470 0.000 0.000 0.229 253 S C 1.973 176.546 174.600 -0.045 0.000 1.030 253 S CA 1.075 59.263 58.200 -0.021 0.000 1.002 253 S CB -0.845 62.351 63.200 -0.007 0.000 0.829 253 S HN 0.316 nan 8.310 nan 0.000 0.467 254 L N 0.683 121.910 121.223 0.006 0.000 2.017 254 L HA -0.080 4.260 4.340 0.000 0.000 0.208 254 L C 2.616 179.532 176.870 0.077 0.000 1.073 254 L CA 1.466 56.351 54.840 0.074 0.000 0.745 254 L CB -0.674 41.399 42.059 0.022 0.000 0.894 254 L HN 0.306 nan 8.230 nan 0.000 0.432 255 I N -0.187 120.412 120.570 0.048 0.000 2.179 255 I HA -0.278 3.892 4.170 0.000 0.000 0.242 255 I C 2.651 178.785 176.117 0.029 0.000 1.088 255 I CA 1.284 62.623 61.300 0.065 0.000 1.357 255 I CB -0.259 37.772 38.000 0.051 0.000 1.051 255 I HN 0.263 nan 8.210 nan 0.000 0.409 256 E N 1.512 121.704 120.200 -0.013 0.000 2.038 256 E HA -0.280 4.071 4.350 0.000 0.000 0.195 256 E C 2.221 178.774 176.600 -0.079 0.000 1.000 256 E CA 1.719 58.100 56.400 -0.032 0.000 0.803 256 E CB -0.210 29.468 29.700 -0.038 0.000 0.750 256 E HN 0.190 nan 8.360 nan 0.000 0.448 257 R N -1.673 118.712 120.500 -0.192 0.000 2.073 257 R HA -0.116 4.224 4.340 0.000 0.000 0.234 257 R C 1.641 177.710 176.300 -0.384 0.000 1.134 257 R CA 1.944 57.799 56.100 -0.407 0.000 0.952 257 R CB -0.240 29.581 30.300 -0.798 0.000 0.850 257 R HN 0.331 nan 8.270 nan 0.000 0.433 258 Y N -1.002 119.354 120.300 0.093 0.000 2.442 258 Y HA 0.254 4.804 4.550 0.000 0.000 0.250 258 Y C 0.028 175.983 175.900 0.092 0.000 1.113 258 Y CA -0.536 57.628 58.100 0.106 0.000 1.273 258 Y CB 0.098 38.657 38.460 0.165 0.000 1.138 258 Y HN -0.068 nan 8.280 nan 0.000 0.522 259 E N 3.754 124.067 120.200 0.189 0.000 2.265 259 E HA 0.080 4.430 4.350 0.000 0.000 0.272 259 E C -1.779 174.881 176.600 0.101 0.000 1.067 259 E CA -2.232 54.252 56.400 0.140 0.000 0.900 259 E CB 0.838 30.602 29.700 0.107 0.000 1.017 259 E HN 0.066 nan 8.360 nan 0.000 0.431 260 P HA -0.053 nan 4.420 nan 0.000 0.221 260 P C 0.138 177.469 177.300 0.051 0.000 1.155 260 P CA 0.314 63.455 63.100 0.069 0.000 0.812 260 P CB 0.251 31.988 31.700 0.062 0.000 0.801 261 S N 0.748 116.477 115.700 0.049 0.000 2.437 261 S HA 0.022 4.492 4.470 0.000 0.000 0.304 261 S C 1.194 175.816 174.600 0.036 0.000 1.167 261 S CA -0.300 57.923 58.200 0.039 0.000 1.106 261 S CB -0.555 62.668 63.200 0.037 0.000 1.099 261 S HN 0.040 nan 8.310 nan 0.000 0.524 262 E N 2.828 123.046 120.200 0.030 0.000 2.396 262 E HA -0.136 4.214 4.350 0.000 0.000 0.200 262 E C 1.791 178.404 176.600 0.023 0.000 1.023 262 E CA 1.605 58.021 56.400 0.026 0.000 0.857 262 E CB 0.069 29.782 29.700 0.022 0.000 0.775 262 E HN 0.972 nan 8.360 nan 0.000 0.525 263 T N -2.440 112.128 114.554 0.024 0.000 2.755 263 T HA 0.094 4.444 4.350 0.000 0.000 0.251 263 T C 2.097 176.811 174.700 0.024 0.000 1.044 263 T CA 0.661 62.774 62.100 0.021 0.000 1.154 263 T CB -0.429 68.451 68.868 0.020 0.000 0.866 263 T HN 0.112 nan 8.240 nan 0.000 0.416 264 A N 2.083 124.922 122.820 0.030 0.000 1.917 264 A HA -0.118 4.202 4.320 0.000 0.000 0.219 264 A C 2.400 180.006 177.584 0.036 0.000 1.182 264 A CA 2.258 54.317 52.037 0.036 0.000 0.633 264 A CB -0.943 18.085 19.000 0.047 0.000 0.819 264 A HN 0.627 nan 8.150 nan 0.000 0.448 265 K N -0.501 119.922 120.400 0.037 0.000 1.987 265 K HA -0.186 4.135 4.320 0.000 0.000 0.216 265 K C 2.236 178.852 176.600 0.025 0.000 1.051 265 K CA 1.609 57.917 56.287 0.035 0.000 0.942 265 K CB -0.418 32.101 32.500 0.032 0.000 0.722 265 K HN 0.393 nan 8.250 nan 0.000 0.444 266 A N 0.865 123.698 122.820 0.021 0.000 1.917 266 A HA -0.224 4.096 4.320 0.000 0.000 0.219 266 A C 1.699 179.292 177.584 0.016 0.000 1.182 266 A CA 1.694 53.741 52.037 0.016 0.000 0.633 266 A CB -0.494 18.515 19.000 0.015 0.000 0.819 266 A HN 0.534 nan 8.150 nan 0.000 0.448 267 Q N -1.097 118.714 119.800 0.018 0.000 2.329 267 Q HA 0.170 4.511 4.340 0.000 0.000 0.208 267 Q C -0.507 175.504 176.000 0.018 0.000 0.934 267 Q CA -0.204 55.609 55.803 0.017 0.000 0.951 267 Q CB 0.022 28.770 28.738 0.017 0.000 1.017 267 Q HN 0.557 nan 8.270 nan 0.000 0.490 268 R N 1.092 121.604 120.500 0.020 0.000 3.322 268 R HA -0.216 4.124 4.340 0.000 0.000 0.253 268 R C -0.800 175.516 176.300 0.026 0.000 0.987 268 R CA 0.661 56.773 56.100 0.021 0.000 0.666 268 R CB -1.669 28.640 30.300 0.015 0.000 1.072 268 R HN 0.423 nan 8.270 nan 0.000 0.447 269 Q N -0.079 119.742 119.800 0.036 0.000 2.423 269 Q HA 0.588 4.928 4.340 0.000 0.000 0.278 269 Q C -0.729 175.315 176.000 0.073 0.000 1.097 269 Q CA -0.951 54.879 55.803 0.045 0.000 0.809 269 Q CB 2.662 31.424 28.738 0.041 0.000 1.391 269 Q HN 0.213 nan 8.270 nan 0.000 0.428 270 M N 1.871 121.531 119.600 0.100 0.000 2.243 270 M HA 0.394 4.874 4.480 0.000 0.000 0.324 270 M C -0.647 175.789 176.300 0.226 0.000 1.031 270 M CA -0.352 55.043 55.300 0.159 0.000 0.949 270 M CB 1.671 34.386 32.600 0.191 0.000 1.615 270 M HN 0.836 nan 8.290 nan 0.000 0.430 271 T N 0.852 115.501 114.554 0.159 0.000 2.824 271 T HA 0.302 4.652 4.350 0.000 0.000 0.277 271 T C 0.870 175.480 174.700 -0.151 0.000 0.975 271 T CA -0.684 61.460 62.100 0.074 0.000 0.966 271 T CB 1.279 70.147 68.868 0.001 0.000 1.054 271 T HN 0.877 nan 8.240 nan 0.000 0.533 272 K N 0.068 120.014 120.400 -0.757 0.000 2.103 272 K HA -0.187 4.133 4.320 0.000 0.000 0.207 272 K C 1.528 177.932 176.600 -0.328 0.000 1.048 272 K CA 1.833 57.386 56.287 -1.223 0.000 0.930 272 K CB -0.302 31.524 32.500 -1.123 0.000 0.716 272 K HN 0.575 nan 8.250 nan 0.000 0.444 273 D N -0.438 119.854 120.400 -0.180 0.000 2.104 273 D HA -0.133 4.507 4.640 0.000 0.000 0.194 273 D C 1.822 178.148 176.300 0.045 0.000 0.994 273 D CA 1.538 55.510 54.000 -0.047 0.000 0.830 273 D CB -0.581 40.206 40.800 -0.022 0.000 0.959 273 D HN 0.450 nan 8.370 nan 0.000 0.452 274 G N -0.140 108.717 108.800 0.094 0.000 2.432 274 G HA2 -0.268 3.692 3.960 0.000 0.000 0.219 274 G HA3 -0.268 3.692 3.960 0.000 0.000 0.219 274 G C 1.474 176.539 174.900 0.274 0.000 1.135 274 G CA 0.280 45.492 45.100 0.187 0.000 0.767 274 G HN 0.191 nan 8.290 nan 0.000 0.550 275 F N 1.018 121.031 119.950 0.105 0.000 2.046 275 F HA -0.062 4.466 4.527 0.000 0.000 0.297 275 F C 2.340 178.235 175.800 0.159 0.000 1.123 275 F CA 1.370 59.482 58.000 0.188 0.000 1.199 275 F CB -0.573 38.535 39.000 0.181 0.000 0.972 275 F HN 0.115 nan 8.300 nan 0.000 0.474 276 L N 0.044 121.318 121.223 0.084 0.000 2.042 276 L HA -0.251 4.089 4.340 0.000 0.000 0.210 276 L C 2.295 179.106 176.870 -0.098 0.000 1.076 276 L CA 1.819 56.613 54.840 -0.076 0.000 0.749 276 L CB -0.882 41.142 42.059 -0.059 0.000 0.893 276 L HN 0.188 nan 8.230 nan 0.000 0.432 277 M N -1.475 118.106 119.600 -0.032 0.000 2.065 277 M HA -0.269 4.211 4.480 0.000 0.000 0.259 277 M C 2.396 178.524 176.300 -0.288 0.000 1.069 277 M CA 2.041 57.297 55.300 -0.073 0.000 1.110 277 M CB -1.309 31.337 32.600 0.076 0.000 1.328 277 M HN 0.500 nan 8.290 nan 0.000 0.405 278 Y N 1.128 121.207 120.300 -0.368 0.000 2.128 278 Y HA -0.206 4.344 4.550 0.000 0.000 0.284 278 Y C 2.045 177.716 175.900 -0.383 0.000 1.154 278 Y CA 1.695 59.425 58.100 -0.617 0.000 1.149 278 Y CB -0.851 37.536 38.460 -0.122 0.000 0.976 278 Y HN 0.150 nan 8.280 nan 0.000 0.505 279 L N -0.105 120.749 121.223 -0.615 0.000 2.191 279 L HA -0.188 4.152 4.340 0.000 0.000 0.212 279 L C 2.030 178.859 176.870 -0.069 0.000 1.103 279 L CA 1.078 55.619 54.840 -0.498 0.000 0.769 279 L CB -0.386 41.513 42.059 -0.268 0.000 0.908 279 L HN 0.341 nan 8.230 nan 0.000 0.438 280 L N -1.167 119.961 121.223 -0.157 0.000 2.607 280 L HA 0.077 4.417 4.340 0.000 0.000 0.228 280 L C 1.477 178.313 176.870 -0.056 0.000 1.123 280 L CA -0.304 54.459 54.840 -0.129 0.000 0.890 280 L CB 0.068 41.976 42.059 -0.252 0.000 1.103 280 L HN 0.236 nan 8.230 nan 0.000 0.468 281 S N -0.543 115.024 115.700 -0.222 0.000 2.686 281 S HA 0.410 4.880 4.470 0.000 0.000 0.270 281 S C 1.433 176.012 174.600 -0.035 0.000 1.194 281 S CA -0.021 58.081 58.200 -0.162 0.000 0.990 281 S CB 1.602 64.460 63.200 -0.571 0.000 1.029 281 S HN 0.089 nan 8.310 nan 0.000 0.560 282 A N 0.183 123.053 122.820 0.083 0.000 2.019 282 A HA -0.070 4.250 4.320 0.000 0.000 0.219 282 A C 1.765 179.388 177.584 0.066 0.000 1.164 282 A CA 1.606 53.699 52.037 0.092 0.000 0.644 282 A CB -0.976 18.111 19.000 0.145 0.000 0.805 282 A HN 0.885 nan 8.150 nan 0.000 0.449 283 D N -0.841 119.621 120.400 0.103 0.000 2.234 283 D HA -0.032 4.608 4.640 0.000 0.000 0.205 283 D C 1.836 178.092 176.300 -0.073 0.000 0.962 283 D CA 1.211 55.298 54.000 0.145 0.000 0.855 283 D CB -0.066 41.004 40.800 0.451 0.000 0.951 283 D HN 0.488 nan 8.370 nan 0.000 0.500 284 G N 0.311 108.915 108.800 -0.327 0.000 2.939 284 G HA2 -0.105 3.856 3.960 0.000 0.000 0.210 284 G HA3 -0.105 3.856 3.960 0.000 0.000 0.210 284 G C 0.841 175.585 174.900 -0.259 0.000 1.160 284 G CA -0.273 44.542 45.100 -0.474 0.000 0.770 284 G HN 0.041 nan 8.290 nan 0.000 0.543 285 N N 1.191 119.758 118.700 -0.222 0.000 2.412 285 N HA 0.147 4.887 4.740 0.000 0.000 0.254 285 N C 1.547 176.943 175.510 -0.191 0.000 1.232 285 N CA 0.477 53.358 53.050 -0.283 0.000 0.880 285 N CB 1.415 39.771 38.487 -0.218 0.000 1.076 285 N HN 0.032 nan 8.380 nan 0.000 0.458 286 A N 4.218 126.910 122.820 -0.213 0.000 2.125 286 A HA -0.094 4.226 4.320 0.000 0.000 0.219 286 A C 0.703 178.210 177.584 -0.129 0.000 1.156 286 A CA 0.588 52.512 52.037 -0.189 0.000 0.671 286 A CB -0.320 18.540 19.000 -0.233 0.000 0.794 286 A HN 0.603 nan 8.150 nan 0.000 0.459 287 F N 1.156 120.998 119.950 -0.179 0.000 2.390 287 F HA 0.422 4.950 4.527 0.001 0.000 0.361 287 F C 0.899 176.619 175.800 -0.133 0.000 1.124 287 F CA -1.187 56.737 58.000 -0.127 0.000 1.149 287 F CB 0.667 39.626 39.000 -0.069 0.000 1.160 287 F HN -0.006 nan 8.300 nan 0.000 0.501 288 S N 6.592 122.216 115.700 -0.126 0.000 2.998 288 S HA -0.104 4.366 4.470 0.000 0.000 0.348 288 S C 1.449 176.139 174.600 0.149 0.000 1.210 288 S CA -0.406 57.733 58.200 -0.102 0.000 1.118 288 S CB -0.233 62.686 63.200 -0.469 0.000 0.832 288 S HN 0.819 nan 8.310 nan 0.000 0.516 289 L N 6.715 128.006 121.223 0.114 0.000 2.081 289 L HA -0.050 4.291 4.340 0.000 0.000 0.212 289 L C 2.457 179.410 176.870 0.139 0.000 1.080 289 L CA 2.621 57.542 54.840 0.136 0.000 0.754 289 L CB -1.351 40.773 42.059 0.108 0.000 0.893 289 L HN 0.848 nan 8.230 nan 0.000 0.433 290 A N -1.458 121.419 122.820 0.094 0.000 1.940 290 A HA -0.257 4.064 4.320 0.000 0.000 0.219 290 A C 1.888 179.525 177.584 0.090 0.000 1.176 290 A CA 1.868 53.954 52.037 0.083 0.000 0.631 290 A CB -0.986 18.040 19.000 0.043 0.000 0.814 290 A HN 0.678 nan 8.150 nan 0.000 0.446 291 H N -0.822 118.170 119.070 -0.131 0.000 2.547 291 H HA 0.174 4.730 4.556 0.000 0.000 0.266 291 H C 1.027 176.540 175.328 0.309 0.000 0.988 291 H CA 0.400 56.407 56.048 -0.067 0.000 1.147 291 H CB -0.044 29.722 29.762 0.007 0.000 1.365 291 H HN 0.452 nan 8.280 nan 0.000 0.589 292 R N 1.131 121.832 120.500 0.336 0.000 2.568 292 R HA 0.197 4.537 4.340 0.000 0.000 0.288 292 R C -0.147 176.274 176.300 0.201 0.000 1.077 292 R CA -0.127 56.116 56.100 0.237 0.000 1.102 292 R CB 0.212 30.587 30.300 0.125 0.000 1.278 292 R HN 0.308 nan 8.270 nan 0.000 0.560 293 R N -2.544 118.111 120.500 0.259 0.000 2.707 293 R HA 0.295 4.635 4.340 0.000 0.000 0.272 293 R C -1.002 175.476 176.300 0.296 0.000 1.011 293 R CA -0.948 55.286 56.100 0.223 0.000 0.893 293 R CB 0.989 31.392 30.300 0.173 0.000 1.233 293 R HN -0.210 nan 8.270 nan 0.000 0.464 294 V N 3.672 123.716 119.914 0.217 0.000 2.475 294 V HA -0.028 4.092 4.120 0.000 0.000 0.292 294 V C -0.130 176.066 176.094 0.171 0.000 1.003 294 V CA 0.650 63.044 62.300 0.157 0.000 1.120 294 V CB -0.740 31.183 31.823 0.167 0.000 0.937 294 V HN 0.906 nan 8.190 nan 0.000 0.476 295 Y N 1.793 122.103 120.300 0.017 0.000 2.610 295 Y HA 0.496 5.046 4.550 0.000 0.000 0.254 295 Y C 0.600 176.483 175.900 -0.027 0.000 1.110 295 Y CA -0.774 57.320 58.100 -0.011 0.000 1.238 295 Y CB -0.166 38.260 38.460 -0.056 0.000 1.322 295 Y HN 0.470 nan 8.280 nan 0.000 0.547 296 Q N 1.362 120.802 119.800 -0.599 0.000 2.199 296 Q HA 0.126 4.466 4.340 0.000 0.000 0.232 296 Q C -0.789 175.130 176.000 -0.135 0.000 0.969 296 Q CA -0.851 54.704 55.803 -0.414 0.000 0.925 296 Q CB 0.733 29.180 28.738 -0.485 0.000 1.198 296 Q HN 0.159 nan 8.270 nan 0.000 0.494 297 D N 1.351 121.714 120.400 -0.062 0.000 2.349 297 D HA -0.015 4.625 4.640 0.000 0.000 0.266 297 D C -0.137 176.211 176.300 0.080 0.000 1.293 297 D CA 0.159 54.162 54.000 0.004 0.000 0.926 297 D CB 0.600 41.404 40.800 0.005 0.000 1.090 297 D HN 0.334 nan 8.370 nan 0.000 0.502 298 M N 2.471 122.076 119.600 0.009 0.000 2.571 298 M HA 0.094 4.574 4.480 0.000 0.000 0.235 298 M C 0.149 176.401 176.300 -0.079 0.000 1.216 298 M CA -0.001 55.234 55.300 -0.108 0.000 0.979 298 M CB -0.054 32.417 32.600 -0.215 0.000 1.616 298 M HN 0.266 nan 8.290 nan 0.000 0.469 299 D N 0.090 120.508 120.400 0.030 0.000 2.462 299 D HA 0.155 4.795 4.640 0.000 0.000 0.221 299 D C 0.268 176.571 176.300 0.005 0.000 1.173 299 D CA 0.152 54.146 54.000 -0.009 0.000 0.831 299 D CB 0.913 41.704 40.800 -0.015 0.000 1.001 299 D HN 0.403 nan 8.370 nan 0.000 0.499 300 Q N 0.887 120.760 119.800 0.122 0.000 2.193 300 Q HA 0.382 4.722 4.340 0.000 0.000 0.246 300 Q C -2.532 173.474 176.000 0.010 0.000 0.959 300 Q CA -1.997 53.805 55.803 -0.000 0.000 0.904 300 Q CB 0.927 29.638 28.738 -0.045 0.000 1.238 300 Q HN -0.135 nan 8.270 nan 0.000 0.469 301 P HA -0.079 nan 4.420 nan 0.000 0.264 301 P C 0.444 177.764 177.300 0.033 0.000 1.183 301 P CA 0.392 63.358 63.100 -0.225 0.000 0.763 301 P CB 0.452 31.915 31.700 -0.395 0.000 0.807 302 L N 2.209 123.468 121.223 0.061 0.000 2.103 302 L HA -0.289 4.051 4.340 0.000 0.000 0.215 302 L C 2.245 179.315 176.870 0.334 0.000 1.080 302 L CA 2.474 57.433 54.840 0.198 0.000 0.764 302 L CB -1.086 41.049 42.059 0.127 0.000 0.890 302 L HN 0.491 nan 8.230 nan 0.000 0.435 303 S N -1.996 113.842 115.700 0.231 0.000 2.528 303 S HA -0.208 4.262 4.470 0.000 0.000 0.244 303 S C 1.523 176.288 174.600 0.276 0.000 0.982 303 S CA 0.920 59.264 58.200 0.240 0.000 0.953 303 S CB -0.684 62.637 63.200 0.201 0.000 0.754 303 S HN 0.583 nan 8.310 nan 0.000 0.529 304 H N -1.094 117.998 119.070 0.036 0.000 2.553 304 H HA 0.247 4.803 4.556 0.000 0.000 0.265 304 H C -0.418 174.664 175.328 -0.409 0.000 0.964 304 H CA -0.002 55.911 56.048 -0.225 0.000 1.156 304 H CB 0.290 29.823 29.762 -0.382 0.000 1.411 304 H HN 0.461 nan 8.280 nan 0.000 0.558 305 Y N 0.457 120.838 120.300 0.134 0.000 2.528 305 Y HA 0.318 4.868 4.550 0.000 0.000 0.335 305 Y C 0.009 175.964 175.900 0.092 0.000 1.093 305 Y CA -0.944 57.218 58.100 0.103 0.000 1.134 305 Y CB 1.370 39.959 38.460 0.215 0.000 1.253 305 Y HN -0.131 nan 8.280 nan 0.000 0.478 306 L N 2.580 123.908 121.223 0.174 0.000 2.326 306 L HA 0.514 4.855 4.340 0.000 0.000 0.278 306 L C -0.819 176.217 176.870 0.277 0.000 1.092 306 L CA -0.842 54.078 54.840 0.135 0.000 0.810 306 L CB 0.874 42.817 42.059 -0.192 0.000 1.153 306 L HN 0.321 nan 8.230 nan 0.000 0.439 307 V N 1.852 121.882 119.914 0.193 0.000 2.495 307 V HA 0.194 4.314 4.120 0.000 0.000 0.298 307 V C 0.252 176.181 176.094 -0.275 0.000 1.031 307 V CA -0.596 61.599 62.300 -0.175 0.000 0.871 307 V CB 1.797 33.538 31.823 -0.137 0.000 0.988 307 V HN 0.803 nan 8.190 nan 0.000 0.432 308 S N 3.780 118.946 115.700 -0.890 0.000 2.465 308 S HA 0.381 4.852 4.470 0.000 0.000 0.280 308 S C 0.085 174.599 174.600 -0.142 0.000 1.232 308 S CA -0.287 57.436 58.200 -0.796 0.000 1.066 308 S CB -0.119 62.511 63.200 -0.950 0.000 0.929 308 S HN 0.845 nan 8.310 nan 0.000 0.494 309 S N 3.635 119.456 115.700 0.201 0.000 2.536 309 S HA 0.611 5.082 4.470 0.000 0.000 0.287 309 S C -0.620 173.990 174.600 0.018 0.000 1.101 309 S CA -0.943 57.300 58.200 0.073 0.000 0.950 309 S CB 1.808 65.103 63.200 0.157 0.000 1.056 309 S HN 0.833 nan 8.310 nan 0.000 0.481 310 S N 1.351 116.923 115.700 -0.215 0.000 2.537 310 S HA 0.505 4.975 4.470 0.000 0.000 0.301 310 S C -0.767 173.814 174.600 -0.031 0.000 1.092 310 S CA -0.704 57.346 58.200 -0.250 0.000 1.048 310 S CB 1.005 63.808 63.200 -0.662 0.000 1.053 310 S HN 0.839 nan 8.310 nan 0.000 0.501 311 H N 2.388 121.407 119.070 -0.084 0.000 2.467 311 H HA 0.273 4.829 4.556 0.000 0.000 0.326 311 H C -0.325 174.898 175.328 -0.176 0.000 1.094 311 H CA -0.108 55.903 56.048 -0.063 0.000 1.253 311 H CB 0.351 30.105 29.762 -0.013 0.000 1.439 311 H HN 0.873 nan 8.280 nan 0.000 0.479 312 N N 3.604 121.882 118.700 -0.702 0.000 2.714 312 N HA -0.176 4.564 4.740 0.000 0.000 0.252 312 N C 0.947 175.961 175.510 -0.827 0.000 1.014 312 N CA 1.288 53.850 53.050 -0.814 0.000 0.735 312 N CB -1.292 36.491 38.487 -1.173 0.000 0.924 312 N HN 0.727 nan 8.380 nan 0.000 0.540 313 T N -1.400 112.859 114.554 -0.492 0.000 2.751 313 T HA -0.285 4.065 4.350 0.000 0.000 0.268 313 T C 1.557 175.725 174.700 -0.887 0.000 1.045 313 T CA 1.989 63.716 62.100 -0.623 0.000 1.142 313 T CB -0.436 68.080 68.868 -0.588 0.000 0.851 313 T HN 0.697 nan 8.240 nan 0.000 0.474 314 Y N 0.917 120.810 120.300 -0.677 0.000 2.483 314 Y HA 0.291 4.841 4.550 0.000 0.000 0.291 314 Y C 0.847 176.596 175.900 -0.252 0.000 1.143 314 Y CA -0.485 57.330 58.100 -0.474 0.000 1.289 314 Y CB -1.158 37.313 38.460 0.017 0.000 0.983 314 Y HN 0.146 nan 8.280 nan 0.000 0.556 315 L N 1.495 122.301 121.223 -0.696 0.000 2.371 315 L HA 0.137 4.478 4.340 0.000 0.000 0.272 315 L C 0.905 177.624 176.870 -0.252 0.000 1.124 315 L CA -0.227 54.372 54.840 -0.402 0.000 0.816 315 L CB 1.391 43.149 42.059 -0.502 0.000 1.129 315 L HN 0.268 nan 8.230 nan 0.000 0.448 316 L N 1.485 122.626 121.223 -0.137 0.000 2.470 316 L HA 0.182 4.522 4.340 0.000 0.000 0.219 316 L C 1.030 177.852 176.870 -0.079 0.000 1.071 316 L CA 0.486 55.268 54.840 -0.097 0.000 0.850 316 L CB 0.252 42.278 42.059 -0.055 0.000 1.040 316 L HN 0.741 nan 8.230 nan 0.000 0.475 317 E N -0.792 119.365 120.200 -0.072 0.000 4.551 317 E HA 0.098 4.448 4.350 0.000 0.000 0.175 317 E C -0.834 175.735 176.600 -0.052 0.000 1.154 317 E CA -0.706 55.663 56.400 -0.050 0.000 0.860 317 E CB 0.200 29.887 29.700 -0.023 0.000 2.083 317 E HN 0.055 nan 8.360 nan 0.000 0.446 318 D N 0.691 121.079 120.400 -0.019 0.000 2.384 318 D HA -0.030 4.610 4.640 0.000 0.000 0.244 318 D C 0.566 176.868 176.300 0.002 0.000 1.251 318 D CA 0.004 54.003 54.000 -0.002 0.000 0.961 318 D CB 0.596 41.414 40.800 0.031 0.000 1.116 318 D HN 0.144 nan 8.370 nan 0.000 0.484 319 Q N -0.523 119.297 119.800 0.034 0.000 2.360 319 Q HA 0.182 4.522 4.340 0.000 0.000 0.202 319 Q C 1.667 177.833 176.000 0.277 0.000 0.915 319 Q CA 0.204 56.057 55.803 0.085 0.000 0.943 319 Q CB 0.552 29.334 28.738 0.072 0.000 1.064 319 Q HN 0.536 nan 8.270 nan 0.000 0.511 320 L N -0.390 120.950 121.223 0.195 0.000 2.362 320 L HA 0.096 4.437 4.340 0.000 0.000 0.204 320 L C 1.633 178.656 176.870 0.256 0.000 1.060 320 L CA 1.569 56.542 54.840 0.222 0.000 0.827 320 L CB 0.184 42.352 42.059 0.180 0.000 1.027 320 L HN 0.169 nan 8.230 nan 0.000 0.474 321 T N -3.982 110.682 114.554 0.183 0.000 3.326 321 T HA 0.231 4.581 4.350 0.000 0.000 0.302 321 T C 0.708 175.478 174.700 0.116 0.000 0.908 321 T CA 0.148 62.355 62.100 0.177 0.000 0.933 321 T CB 0.060 68.985 68.868 0.095 0.000 1.194 321 T HN 0.102 nan 8.240 nan 0.000 0.585 322 G N 2.774 111.630 108.800 0.093 0.000 2.651 322 G HA2 0.583 4.543 3.960 0.000 0.000 0.260 322 G HA3 0.583 4.543 3.960 0.000 0.000 0.260 322 G C -2.626 172.316 174.900 0.070 0.000 1.216 322 G CA -1.249 43.885 45.100 0.057 0.000 0.913 322 G HN 0.272 nan 8.290 nan 0.000 0.535 323 P HA 0.354 nan 4.420 nan 0.000 0.278 323 P C -0.695 176.643 177.300 0.063 0.000 1.266 323 P CA -0.406 62.728 63.100 0.057 0.000 0.807 323 P CB 1.663 33.382 31.700 0.033 0.000 1.094 324 S N -0.521 115.238 115.700 0.099 0.000 2.568 324 S HA 0.688 5.159 4.470 0.000 0.000 0.293 324 S C -0.744 173.920 174.600 0.106 0.000 1.089 324 S CA -0.406 57.881 58.200 0.144 0.000 0.945 324 S CB 1.304 64.674 63.200 0.284 0.000 1.077 324 S HN 0.669 nan 8.310 nan 0.000 0.485 325 S N 0.129 115.889 115.700 0.100 0.000 2.565 325 S HA 0.332 4.802 4.470 0.000 0.000 0.274 325 S C 0.859 175.532 174.600 0.121 0.000 1.144 325 S CA 0.014 58.266 58.200 0.086 0.000 0.849 325 S CB 0.619 63.841 63.200 0.036 0.000 1.103 325 S HN 0.848 nan 8.310 nan 0.000 0.455 326 T N 0.198 114.830 114.554 0.131 0.000 2.881 326 T HA -0.078 4.273 4.350 0.000 0.000 0.270 326 T C 1.480 176.236 174.700 0.092 0.000 1.068 326 T CA 1.499 63.702 62.100 0.171 0.000 1.131 326 T CB -0.478 68.434 68.868 0.073 0.000 0.871 326 T HN 0.644 nan 8.240 nan 0.000 0.479 327 E N 1.998 122.208 120.200 0.017 0.000 2.160 327 E HA -0.152 4.198 4.350 0.000 0.000 0.195 327 E C 2.368 178.925 176.600 -0.071 0.000 0.991 327 E CA 1.447 57.819 56.400 -0.046 0.000 0.810 327 E CB -0.579 29.098 29.700 -0.039 0.000 0.742 327 E HN 0.674 nan 8.360 nan 0.000 0.466 328 A N -0.224 122.548 122.820 -0.080 0.000 1.933 328 A HA -0.177 4.144 4.320 0.000 0.000 0.218 328 A C 1.965 179.408 177.584 -0.234 0.000 1.175 328 A CA 1.314 53.244 52.037 -0.179 0.000 0.628 328 A CB -0.768 18.070 19.000 -0.269 0.000 0.814 328 A HN 0.332 nan 8.150 nan 0.000 0.444 329 Y N -0.320 119.919 120.300 -0.102 0.000 2.286 329 Y HA -0.006 4.544 4.550 0.000 0.000 0.293 329 Y C 2.179 177.977 175.900 -0.170 0.000 1.124 329 Y CA 1.087 59.112 58.100 -0.125 0.000 1.178 329 Y CB -0.265 38.136 38.460 -0.100 0.000 1.010 329 Y HN 0.208 nan 8.280 nan 0.000 0.536 330 I N -0.514 120.003 120.570 -0.088 0.000 2.179 330 I HA -0.311 3.859 4.170 0.000 0.000 0.242 330 I C 2.572 178.543 176.117 -0.243 0.000 1.088 330 I CA 1.359 62.447 61.300 -0.353 0.000 1.357 330 I CB -0.316 37.326 38.000 -0.596 0.000 1.051 330 I HN 0.064 nan 8.210 nan 0.000 0.409 331 R N 1.084 121.492 120.500 -0.153 0.000 2.080 331 R HA -0.190 4.150 4.340 0.000 0.000 0.236 331 R C 2.412 178.711 176.300 -0.001 0.000 1.137 331 R CA 1.893 57.951 56.100 -0.070 0.000 0.943 331 R CB -0.425 29.847 30.300 -0.046 0.000 0.846 331 R HN 0.373 nan 8.270 nan 0.000 0.431 332 A N 0.557 123.361 122.820 -0.028 0.000 1.908 332 A HA -0.173 4.147 4.320 0.000 0.000 0.218 332 A C 2.214 179.781 177.584 -0.028 0.000 1.181 332 A CA 1.467 53.483 52.037 -0.035 0.000 0.627 332 A CB -0.662 18.142 19.000 -0.328 0.000 0.818 332 A HN 0.368 nan 8.150 nan 0.000 0.445 333 L N -0.962 120.238 121.223 -0.038 0.000 2.017 333 L HA -0.235 4.106 4.340 0.000 0.000 0.208 333 L C 2.640 179.552 176.870 0.071 0.000 1.073 333 L CA 1.299 56.145 54.840 0.009 0.000 0.745 333 L CB -0.523 41.554 42.059 0.030 0.000 0.894 333 L HN 0.490 nan 8.230 nan 0.000 0.432 334 C N -0.155 119.182 119.300 0.061 0.000 2.419 334 C HA -0.143 4.318 4.460 0.000 0.000 0.283 334 C C 2.284 177.342 174.990 0.113 0.000 1.373 334 C CA 0.687 59.764 59.018 0.099 0.000 1.781 334 C CB -0.965 26.813 27.740 0.063 0.000 1.886 334 C HN 0.364 nan 8.230 nan 0.000 0.520 335 K N 0.056 120.542 120.400 0.144 0.000 2.437 335 K HA 0.232 4.552 4.320 0.000 0.000 0.198 335 K C 1.366 178.104 176.600 0.230 0.000 1.024 335 K CA 0.664 57.070 56.287 0.198 0.000 1.148 335 K CB 0.059 32.729 32.500 0.283 0.000 0.860 335 K HN 0.502 nan 8.250 nan 0.000 0.515 336 G N 1.394 110.293 108.800 0.165 0.000 2.157 336 G HA2 -0.289 3.672 3.960 0.000 0.000 0.248 336 G HA3 -0.289 3.672 3.960 0.000 0.000 0.248 336 G C 0.312 175.249 174.900 0.062 0.000 0.979 336 G CA -0.127 45.051 45.100 0.129 0.000 0.650 336 G HN 0.420 nan 8.290 nan 0.000 0.529 337 C N 1.064 120.387 119.300 0.039 0.000 2.596 337 C HA 0.512 4.972 4.460 0.000 0.000 0.414 337 C C 2.010 176.922 174.990 -0.130 0.000 1.396 337 C CA 0.322 59.249 59.018 -0.151 0.000 1.698 337 C CB 0.167 27.603 27.740 -0.506 0.000 2.572 337 C HN 0.502 nan 8.230 nan 0.000 0.604 338 R N 2.603 123.000 120.500 -0.171 0.000 2.142 338 R HA 0.138 4.478 4.340 0.000 0.000 0.204 338 R C 0.658 176.929 176.300 -0.049 0.000 1.059 338 R CA 0.525 56.565 56.100 -0.101 0.000 1.055 338 R CB -0.658 29.496 30.300 -0.244 0.000 0.976 338 R HN 0.728 nan 8.270 nan 0.000 0.483 339 C N 3.513 122.769 119.300 -0.074 0.000 2.239 339 C HA 0.573 5.033 4.460 0.000 0.000 0.325 339 C C 0.013 174.987 174.990 -0.026 0.000 1.231 339 C CA -0.754 58.263 59.018 -0.002 0.000 1.652 339 C CB -1.198 26.569 27.740 0.045 0.000 2.284 339 C HN 0.209 nan 8.230 nan 0.000 0.499 340 L N 5.152 126.386 121.223 0.018 0.000 2.344 340 L HA 0.623 4.964 4.340 0.000 0.000 0.272 340 L C 0.067 177.017 176.870 0.132 0.000 1.035 340 L CA -0.413 54.464 54.840 0.062 0.000 0.807 340 L CB 1.230 43.377 42.059 0.147 0.000 1.237 340 L HN 0.559 nan 8.230 nan 0.000 0.442 341 E N 2.135 122.442 120.200 0.177 0.000 2.171 341 E HA 0.555 4.905 4.350 0.000 0.000 0.271 341 E C -1.489 175.326 176.600 0.359 0.000 0.916 341 E CA -0.718 55.806 56.400 0.207 0.000 0.774 341 E CB 2.332 32.110 29.700 0.129 0.000 1.128 341 E HN 0.246 nan 8.360 nan 0.000 0.403 342 L N 3.275 124.655 121.223 0.262 0.000 2.343 342 L HA 0.299 4.639 4.340 0.000 0.000 0.278 342 L C -0.925 176.035 176.870 0.151 0.000 0.996 342 L CA -0.547 54.437 54.840 0.239 0.000 0.831 342 L CB 1.462 43.626 42.059 0.174 0.000 1.232 342 L HN 0.363 nan 8.230 nan 0.000 0.413 343 D N 2.309 122.745 120.400 0.059 0.000 2.443 343 D HA 0.302 4.942 4.640 0.000 0.000 0.221 343 D C -0.730 175.611 176.300 0.068 0.000 1.097 343 D CA -0.162 53.884 54.000 0.078 0.000 0.865 343 D CB 0.912 41.808 40.800 0.160 0.000 1.034 343 D HN 0.370 nan 8.370 nan 0.000 0.511 344 C N 3.133 122.382 119.300 -0.085 0.000 2.347 344 C HA 0.580 5.040 4.460 0.000 0.000 0.353 344 C C -0.099 174.677 174.990 -0.358 0.000 1.273 344 C CA -1.007 57.944 59.018 -0.111 0.000 1.861 344 C CB -0.983 26.652 27.740 -0.174 0.000 2.420 344 C HN 0.542 nan 8.230 nan 0.000 0.542 345 W N 0.510 121.829 121.300 0.032 0.000 2.962 345 W HA 0.400 5.061 4.660 0.000 0.000 0.341 345 W C -0.401 176.139 176.519 0.035 0.000 1.155 345 W CA -0.556 56.825 57.345 0.060 0.000 1.165 345 W CB 0.546 30.092 29.460 0.143 0.000 1.435 345 W HN 0.442 nan 8.180 nan 0.000 0.546 346 D N 0.533 121.088 120.400 0.259 0.000 2.414 346 D HA 0.429 5.069 4.640 0.000 0.000 0.242 346 D C 0.312 176.691 176.300 0.132 0.000 1.129 346 D CA 0.707 54.788 54.000 0.134 0.000 0.885 346 D CB 1.100 41.963 40.800 0.106 0.000 1.198 346 D HN 0.496 nan 8.370 nan 0.000 0.437 347 G N 1.075 109.922 108.800 0.079 0.000 2.658 347 G HA2 0.588 4.549 3.960 0.000 0.000 0.292 347 G HA3 0.588 4.549 3.960 0.000 0.000 0.292 347 G C -2.813 172.106 174.900 0.032 0.000 1.320 347 G CA -1.299 43.832 45.100 0.051 0.000 0.933 347 G HN 0.209 nan 8.290 nan 0.000 0.476 348 P HA 0.079 nan 4.420 nan 0.000 0.271 348 P C 0.089 177.402 177.300 0.021 0.000 1.238 348 P CA -0.141 62.967 63.100 0.012 0.000 0.794 348 P CB 0.317 32.018 31.700 0.002 0.000 0.959 349 N N -0.357 118.353 118.700 0.018 0.000 2.708 349 N HA -0.232 4.509 4.740 0.000 0.000 0.251 349 N C -0.438 175.089 175.510 0.029 0.000 1.123 349 N CA 0.593 53.657 53.050 0.022 0.000 0.739 349 N CB -1.060 37.443 38.487 0.026 0.000 1.113 349 N HN 0.551 nan 8.380 nan 0.000 0.561 350 Q N -1.849 117.966 119.800 0.025 0.000 2.461 350 Q HA -0.193 4.147 4.340 0.000 0.000 0.273 350 Q C -0.655 175.371 176.000 0.043 0.000 1.163 350 Q CA 1.417 57.234 55.803 0.023 0.000 0.929 350 Q CB -1.025 27.719 28.738 0.010 0.000 1.334 350 Q HN 0.517 nan 8.270 nan 0.000 0.499 351 E N 0.769 121.006 120.200 0.062 0.000 2.155 351 E HA 0.376 4.726 4.350 0.000 0.000 0.264 351 E C -2.294 174.358 176.600 0.087 0.000 0.886 351 E CA -2.104 54.359 56.400 0.106 0.000 0.752 351 E CB 1.493 31.255 29.700 0.102 0.000 1.133 351 E HN -0.011 nan 8.360 nan 0.000 0.414 352 P HA 0.153 nan 4.420 nan 0.000 0.269 352 P C 0.054 177.427 177.300 0.122 0.000 1.215 352 P CA 0.050 63.177 63.100 0.046 0.000 0.780 352 P CB 0.535 32.162 31.700 -0.121 0.000 0.898 353 I N -1.705 118.959 120.570 0.158 0.000 3.108 353 I HA 0.642 4.812 4.170 0.000 0.000 0.312 353 I C -0.734 175.546 176.117 0.272 0.000 1.095 353 I CA -1.541 59.875 61.300 0.194 0.000 1.000 353 I CB 2.233 40.317 38.000 0.140 0.000 1.229 353 I HN 0.082 nan 8.210 nan 0.000 0.454 354 I N 2.804 123.514 120.570 0.233 0.000 2.466 354 I HA 0.544 4.715 4.170 0.000 0.000 0.289 354 I C -1.196 174.995 176.117 0.123 0.000 1.026 354 I CA -0.596 60.794 61.300 0.150 0.000 1.078 354 I CB 1.991 40.022 38.000 0.053 0.000 1.249 354 I HN 0.785 nan 8.210 nan 0.000 0.429 355 Y N 3.916 124.080 120.300 -0.228 0.000 2.818 355 Y HA 0.367 4.917 4.550 0.000 0.000 0.341 355 Y C -1.314 174.520 175.900 -0.110 0.000 1.283 355 Y CA -1.236 56.755 58.100 -0.182 0.000 1.075 355 Y CB 0.936 39.334 38.460 -0.104 0.000 1.370 355 Y HN 0.506 nan 8.280 nan 0.000 0.448 356 H N 1.288 120.171 119.070 -0.312 0.000 2.782 356 H HA 0.433 4.989 4.556 0.000 0.000 0.285 356 H C 0.452 175.224 175.328 -0.926 0.000 1.093 356 H CA -0.288 55.564 56.048 -0.327 0.000 1.410 356 H CB 0.637 30.409 29.762 0.018 0.000 1.439 356 H HN 1.135 nan 8.280 nan 0.000 0.469 357 G N 3.757 111.891 108.800 -1.110 0.000 2.265 357 G HA2 -0.148 3.812 3.960 0.000 0.000 0.240 357 G HA3 -0.148 3.812 3.960 0.000 0.000 0.240 357 G C -0.641 173.516 174.900 -1.238 0.000 1.270 357 G CA 0.089 44.152 45.100 -1.728 0.000 0.901 357 G HN 0.911 nan 8.290 nan 0.000 0.507 358 Y N -0.823 119.002 120.300 -0.791 0.000 4.272 358 Y HA -0.270 4.280 4.550 0.000 0.000 0.232 358 Y C 1.388 177.011 175.900 -0.463 0.000 1.149 358 Y CA 0.944 58.744 58.100 -0.499 0.000 1.961 358 Y CB -2.627 35.617 38.460 -0.360 0.000 1.611 358 Y HN 1.143 nan 8.280 nan 0.000 0.682 359 T N -5.124 109.212 114.554 -0.362 0.000 2.716 359 T HA 0.748 5.098 4.350 0.000 0.000 0.286 359 T C -0.009 174.512 174.700 -0.298 0.000 1.052 359 T CA -0.594 61.344 62.100 -0.270 0.000 1.024 359 T CB 0.902 69.714 68.868 -0.094 0.000 1.349 359 T HN -0.125 nan 8.240 nan 0.000 0.525 360 F N 1.231 121.216 119.950 0.058 0.000 2.647 360 F HA 0.274 4.801 4.527 0.000 0.000 0.300 360 F C 1.521 177.365 175.800 0.074 0.000 1.106 360 F CA -0.737 57.291 58.000 0.047 0.000 1.313 360 F CB -0.343 38.669 39.000 0.020 0.000 1.007 360 F HN 0.707 nan 8.300 nan 0.000 0.536 361 T N -1.092 113.627 114.554 0.274 0.000 2.928 361 T HA 0.198 4.549 4.350 0.000 0.000 0.305 361 T C 0.703 175.533 174.700 0.216 0.000 1.035 361 T CA -0.544 61.708 62.100 0.253 0.000 1.145 361 T CB 1.039 70.087 68.868 0.300 0.000 0.963 361 T HN 0.290 nan 8.240 nan 0.000 0.545 362 S N 2.534 118.322 115.700 0.147 0.000 2.563 362 S HA 0.179 4.650 4.470 0.000 0.000 0.269 362 S C -0.207 174.454 174.600 0.102 0.000 1.364 362 S CA -0.319 57.931 58.200 0.083 0.000 1.010 362 S CB 0.001 63.242 63.200 0.068 0.000 0.877 362 S HN 0.820 nan 8.310 nan 0.000 0.549 363 K N 0.989 121.398 120.400 0.015 0.000 2.203 363 K HA 0.737 5.058 4.320 0.000 0.000 0.251 363 K C -0.360 176.274 176.600 0.057 0.000 0.944 363 K CA -0.671 55.630 56.287 0.022 0.000 0.829 363 K CB 1.533 33.949 32.500 -0.141 0.000 1.125 363 K HN 0.758 nan 8.250 nan 0.000 0.430 364 I N -1.578 119.050 120.570 0.097 0.000 3.074 364 I HA 0.457 4.627 4.170 0.000 0.000 0.310 364 I C -1.050 175.121 176.117 0.091 0.000 1.153 364 I CA -1.393 59.959 61.300 0.088 0.000 0.993 364 I CB 1.405 39.475 38.000 0.117 0.000 1.237 364 I HN 0.321 nan 8.210 nan 0.000 0.443 365 L N 2.467 123.727 121.223 0.062 0.000 2.331 365 L HA 0.241 4.582 4.340 0.000 0.000 0.278 365 L C 0.801 177.708 176.870 0.062 0.000 1.106 365 L CA -0.214 54.665 54.840 0.065 0.000 0.824 365 L CB 1.075 43.145 42.059 0.019 0.000 1.142 365 L HN 0.695 nan 8.230 nan 0.000 0.443 366 F N 3.341 123.257 119.950 -0.057 0.000 2.120 366 F HA -0.306 4.222 4.527 0.000 0.000 0.300 366 F C 2.520 178.209 175.800 -0.185 0.000 1.095 366 F CA 2.052 59.998 58.000 -0.090 0.000 1.249 366 F CB -0.029 38.949 39.000 -0.037 0.000 0.995 366 F HN 0.730 nan 8.300 nan 0.000 0.480 367 C N -0.145 119.052 119.300 -0.172 0.000 2.432 367 C HA -0.160 4.300 4.460 0.000 0.000 0.277 367 C C 2.456 177.271 174.990 -0.290 0.000 1.249 367 C CA 0.984 59.745 59.018 -0.428 0.000 1.725 367 C CB -1.450 25.859 27.740 -0.719 0.000 2.028 367 C HN 0.436 nan 8.230 nan 0.000 0.477 368 D N 1.235 121.526 120.400 -0.183 0.000 2.149 368 D HA -0.095 4.545 4.640 0.000 0.000 0.198 368 D C 2.366 178.568 176.300 -0.164 0.000 0.990 368 D CA 1.392 55.317 54.000 -0.126 0.000 0.839 368 D CB -0.423 40.342 40.800 -0.059 0.000 0.948 368 D HN 0.455 nan 8.370 nan 0.000 0.460 369 V N 0.863 120.636 119.914 -0.234 0.000 2.427 369 V HA -0.186 3.935 4.120 0.000 0.000 0.248 369 V C 2.578 178.410 176.094 -0.436 0.000 1.051 369 V CA 0.960 63.047 62.300 -0.356 0.000 1.048 369 V CB -0.330 31.201 31.823 -0.488 0.000 0.666 369 V HN 0.243 nan 8.190 nan 0.000 0.456 370 L N -0.735 120.207 121.223 -0.469 0.000 2.046 370 L HA -0.204 4.137 4.340 0.000 0.000 0.208 370 L C 2.765 179.494 176.870 -0.235 0.000 1.077 370 L CA 1.654 56.253 54.840 -0.401 0.000 0.747 370 L CB -0.554 41.254 42.059 -0.418 0.000 0.896 370 L HN 0.251 nan 8.230 nan 0.000 0.432 371 R N -0.131 120.262 120.500 -0.179 0.000 2.080 371 R HA -0.177 4.163 4.340 0.000 0.000 0.236 371 R C 2.447 178.714 176.300 -0.055 0.000 1.137 371 R CA 1.692 57.734 56.100 -0.097 0.000 0.943 371 R CB -0.531 29.728 30.300 -0.068 0.000 0.846 371 R HN 0.369 nan 8.270 nan 0.000 0.431 372 A N 0.691 123.481 122.820 -0.049 0.000 1.908 372 A HA -0.172 4.148 4.320 0.000 0.000 0.218 372 A C 2.169 179.787 177.584 0.057 0.000 1.181 372 A CA 1.447 53.514 52.037 0.050 0.000 0.627 372 A CB -0.570 18.434 19.000 0.007 0.000 0.818 372 A HN 0.251 nan 8.150 nan 0.000 0.445 373 I N -0.969 119.542 120.570 -0.098 0.000 2.226 373 I HA -0.253 3.917 4.170 0.000 0.000 0.245 373 I C 2.707 178.759 176.117 -0.108 0.000 1.100 373 I CA 1.620 62.849 61.300 -0.117 0.000 1.374 373 I CB -0.314 37.548 38.000 -0.229 0.000 1.057 373 I HN 0.404 nan 8.210 nan 0.000 0.413 374 R N 1.107 121.540 120.500 -0.113 0.000 2.083 374 R HA -0.228 4.112 4.340 0.000 0.000 0.237 374 R C 1.681 177.924 176.300 -0.095 0.000 1.137 374 R CA 2.270 58.307 56.100 -0.106 0.000 0.951 374 R CB -0.318 29.934 30.300 -0.078 0.000 0.851 374 R HN 0.318 nan 8.270 nan 0.000 0.434 375 D N -0.860 119.506 120.400 -0.057 0.000 2.219 375 D HA -0.140 4.500 4.640 0.000 0.000 0.205 375 D C 0.754 176.877 176.300 -0.295 0.000 0.970 375 D CA 1.234 55.146 54.000 -0.147 0.000 0.851 375 D CB 0.048 40.770 40.800 -0.131 0.000 0.943 375 D HN 0.403 nan 8.370 nan 0.000 0.488 376 Y N -0.425 119.822 120.300 -0.089 0.000 2.527 376 Y HA 0.409 4.960 4.550 0.000 0.000 0.247 376 Y C 1.920 177.742 175.900 -0.130 0.000 1.138 376 Y CA -0.350 57.707 58.100 -0.071 0.000 1.228 376 Y CB 0.226 38.663 38.460 -0.039 0.000 1.252 376 Y HN -0.136 nan 8.280 nan 0.000 0.531 377 A N 0.031 122.752 122.820 -0.165 0.000 1.948 377 A HA -0.189 4.131 4.320 0.000 0.000 0.220 377 A C 1.095 178.385 177.584 -0.491 0.000 1.177 377 A CA 1.972 53.735 52.037 -0.457 0.000 0.636 377 A CB -0.729 17.767 19.000 -0.839 0.000 0.815 377 A HN 0.385 nan 8.150 nan 0.000 0.449 378 F N -1.291 118.678 119.950 0.033 0.000 2.683 378 F HA 0.278 4.805 4.527 0.000 0.000 0.306 378 F C 1.474 177.286 175.800 0.019 0.000 1.102 378 F CA -0.313 57.698 58.000 0.018 0.000 1.244 378 F CB -0.051 38.940 39.000 -0.016 0.000 1.029 378 F HN 0.199 nan 8.300 nan 0.000 0.545 379 K N 1.414 121.894 120.400 0.132 0.000 2.103 379 K HA -0.141 4.180 4.320 0.000 0.000 0.207 379 K C 1.895 178.569 176.600 0.123 0.000 1.048 379 K CA 1.770 58.119 56.287 0.104 0.000 0.930 379 K CB -0.030 32.539 32.500 0.115 0.000 0.716 379 K HN 0.221 nan 8.250 nan 0.000 0.444 380 A N -0.479 122.429 122.820 0.147 0.000 2.252 380 A HA 0.193 4.513 4.320 0.000 0.000 0.213 380 A C 0.497 178.174 177.584 0.154 0.000 1.188 380 A CA 0.264 52.385 52.037 0.139 0.000 0.863 380 A CB 0.376 19.458 19.000 0.137 0.000 0.893 380 A HN 0.241 nan 8.150 nan 0.000 0.495 381 S N -1.466 114.346 115.700 0.187 0.000 2.552 381 S HA 0.496 4.966 4.470 0.000 0.000 0.272 381 S C -2.838 171.865 174.600 0.172 0.000 1.150 381 S CA -0.474 57.844 58.200 0.196 0.000 0.849 381 S CB 1.764 65.132 63.200 0.281 0.000 1.113 381 S HN -0.057 nan 8.310 nan 0.000 0.458 382 P HA 0.204 nan 4.420 nan 0.000 0.252 382 P C -0.209 176.759 177.300 -0.555 0.000 1.218 382 P CA 0.101 62.951 63.100 -0.416 0.000 0.807 382 P CB 0.000 31.373 31.700 -0.546 0.000 1.072 383 Y N 2.745 123.058 120.300 0.021 0.000 2.357 383 Y HA 0.202 4.752 4.550 0.000 0.000 0.340 383 Y C -1.384 174.645 175.900 0.215 0.000 1.260 383 Y CA -2.537 55.575 58.100 0.020 0.000 1.425 383 Y CB -0.976 37.508 38.460 0.040 0.000 1.326 383 Y HN -0.052 nan 8.280 nan 0.000 0.580 384 P HA -0.037 nan 4.420 nan 0.000 0.265 384 P C -0.774 176.781 177.300 0.424 0.000 1.187 384 P CA 0.243 63.540 63.100 0.329 0.000 0.766 384 P CB 0.716 32.509 31.700 0.155 0.000 0.820 385 V N 5.096 125.203 119.914 0.321 0.000 2.435 385 V HA 0.348 4.468 4.120 0.000 0.000 0.290 385 V C 0.600 176.781 176.094 0.145 0.000 1.030 385 V CA -0.614 61.792 62.300 0.176 0.000 0.881 385 V CB 1.282 33.120 31.823 0.026 0.000 0.983 385 V HN 0.366 nan 8.190 nan 0.000 0.445 386 I N 5.759 126.406 120.570 0.130 0.000 2.354 386 I HA 0.416 4.587 4.170 0.000 0.000 0.292 386 I C -0.544 175.626 176.117 0.089 0.000 0.989 386 I CA -0.437 60.938 61.300 0.126 0.000 1.188 386 I CB 1.485 39.576 38.000 0.151 0.000 1.342 386 I HN 0.299 nan 8.210 nan 0.000 0.457 387 L N 5.322 126.593 121.223 0.080 0.000 2.265 387 L HA 0.327 4.667 4.340 0.000 0.000 0.289 387 L C 0.312 177.236 176.870 0.090 0.000 1.033 387 L CA -0.254 54.626 54.840 0.066 0.000 0.814 387 L CB 1.529 43.606 42.059 0.030 0.000 1.203 387 L HN 0.564 nan 8.230 nan 0.000 0.423 388 S N 5.075 120.837 115.700 0.103 0.000 2.416 388 S HA 0.477 4.947 4.470 0.000 0.000 0.287 388 S C -0.275 174.384 174.600 0.098 0.000 1.139 388 S CA -0.610 57.654 58.200 0.107 0.000 1.058 388 S CB 0.063 63.340 63.200 0.127 0.000 0.967 388 S HN 0.404 nan 8.310 nan 0.000 0.495 389 L N 4.928 126.194 121.223 0.071 0.000 2.264 389 L HA 0.479 4.819 4.340 0.000 0.000 0.289 389 L C 0.462 177.318 176.870 -0.023 0.000 1.044 389 L CA -0.328 54.540 54.840 0.047 0.000 0.807 389 L CB 1.240 43.322 42.059 0.037 0.000 1.192 389 L HN 0.662 nan 8.230 nan 0.000 0.425 390 E N 3.813 123.981 120.200 -0.054 0.000 2.173 390 E HA 0.100 4.451 4.350 0.000 0.000 0.249 390 E C -0.695 175.678 176.600 -0.378 0.000 0.923 390 E CA -0.633 55.660 56.400 -0.178 0.000 0.754 390 E CB 0.719 30.397 29.700 -0.037 0.000 1.177 390 E HN 0.459 nan 8.360 nan 0.000 0.430 391 N N 2.896 121.331 118.700 -0.443 0.000 2.406 391 N HA 0.028 4.768 4.740 0.000 0.000 0.251 391 N C -0.436 174.645 175.510 -0.715 0.000 1.069 391 N CA 0.059 52.826 53.050 -0.472 0.000 0.947 391 N CB 0.482 38.787 38.487 -0.303 0.000 1.111 391 N HN 0.520 nan 8.380 nan 0.000 0.497 392 H N 1.114 119.769 119.070 -0.691 0.000 2.672 392 H HA 0.164 4.721 4.556 0.000 0.000 0.277 392 H C 0.187 175.219 175.328 -0.493 0.000 1.074 392 H CA -0.298 55.239 56.048 -0.851 0.000 1.173 392 H CB -0.114 28.316 29.762 -2.221 0.000 1.558 392 H HN 0.589 nan 8.280 nan 0.000 0.539 393 C N 1.906 121.033 119.300 -0.288 0.000 2.604 393 C HA 0.505 4.965 4.460 0.000 0.000 0.396 393 C C 1.634 176.561 174.990 -0.106 0.000 1.282 393 C CA -1.127 57.798 59.018 -0.156 0.000 2.292 393 C CB 0.619 28.287 27.740 -0.121 0.000 2.633 393 C HN 0.502 nan 8.230 nan 0.000 0.620 394 S N 2.289 117.956 115.700 -0.055 0.000 2.573 394 S HA 0.150 4.620 4.470 0.000 0.000 0.277 394 S C 0.966 175.529 174.600 -0.062 0.000 1.346 394 S CA -0.467 57.709 58.200 -0.041 0.000 1.034 394 S CB 0.150 63.340 63.200 -0.016 0.000 0.879 394 S HN 0.757 nan 8.310 nan 0.000 0.528 395 L N 0.467 121.658 121.223 -0.053 0.000 2.021 395 L HA -0.179 4.162 4.340 0.000 0.000 0.215 395 L C 2.992 179.826 176.870 -0.060 0.000 1.074 395 L CA 2.240 57.045 54.840 -0.058 0.000 0.760 395 L CB -0.839 41.193 42.059 -0.044 0.000 0.889 395 L HN 0.833 nan 8.230 nan 0.000 0.433 396 E N 0.396 120.567 120.200 -0.049 0.000 2.038 396 E HA -0.243 4.107 4.350 0.000 0.000 0.195 396 E C 2.165 178.726 176.600 -0.065 0.000 1.000 396 E CA 1.633 58.004 56.400 -0.049 0.000 0.803 396 E CB -0.202 29.478 29.700 -0.035 0.000 0.750 396 E HN 0.396 nan 8.360 nan 0.000 0.448 397 Q N -0.249 119.512 119.800 -0.065 0.000 2.170 397 Q HA -0.185 4.156 4.340 0.000 0.000 0.203 397 Q C 2.294 178.212 176.000 -0.137 0.000 0.976 397 Q CA 1.420 57.172 55.803 -0.085 0.000 0.858 397 Q CB -0.145 28.554 28.738 -0.065 0.000 0.907 397 Q HN 0.517 nan 8.270 nan 0.000 0.433 398 Q N 0.220 119.939 119.800 -0.135 0.000 2.124 398 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 398 Q C 2.065 177.984 176.000 -0.134 0.000 0.977 398 Q CA 0.956 56.664 55.803 -0.159 0.000 0.850 398 Q CB -0.086 28.574 28.738 -0.130 0.000 0.901 398 Q HN 0.332 nan 8.270 nan 0.000 0.429 399 R N 0.046 120.483 120.500 -0.105 0.000 2.075 399 R HA -0.088 4.253 4.340 0.000 0.000 0.232 399 R C 2.345 178.577 176.300 -0.113 0.000 1.126 399 R CA 1.288 57.334 56.100 -0.091 0.000 0.963 399 R CB -0.467 29.788 30.300 -0.074 0.000 0.858 399 R HN 0.111 nan 8.270 nan 0.000 0.435 400 V N 1.655 121.492 119.914 -0.129 0.000 2.392 400 V HA -0.278 3.842 4.120 0.000 0.000 0.249 400 V C 2.403 178.397 176.094 -0.167 0.000 1.059 400 V CA 1.776 63.969 62.300 -0.179 0.000 1.051 400 V CB -0.446 31.305 31.823 -0.119 0.000 0.658 400 V HN 0.305 nan 8.190 nan 0.000 0.455 401 M N -0.038 119.460 119.600 -0.171 0.000 2.065 401 M HA -0.180 4.300 4.480 0.000 0.000 0.259 401 M C 2.450 178.779 176.300 0.049 0.000 1.069 401 M CA 2.297 57.468 55.300 -0.215 0.000 1.110 401 M CB -0.651 31.623 32.600 -0.543 0.000 1.328 401 M HN 0.393 nan 8.290 nan 0.000 0.405 402 A N 0.479 123.283 122.820 -0.026 0.000 1.940 402 A HA -0.191 4.130 4.320 0.000 0.000 0.219 402 A C 2.128 179.727 177.584 0.025 0.000 1.176 402 A CA 1.740 53.786 52.037 0.016 0.000 0.631 402 A CB -0.683 18.303 19.000 -0.022 0.000 0.814 402 A HN 0.456 nan 8.150 nan 0.000 0.446 403 R N -1.505 118.969 120.500 -0.044 0.000 2.073 403 R HA -0.125 4.216 4.340 0.000 0.000 0.234 403 R C 2.203 178.498 176.300 -0.008 0.000 1.134 403 R CA 1.467 57.521 56.100 -0.076 0.000 0.952 403 R CB -0.544 29.646 30.300 -0.183 0.000 0.850 403 R HN 0.617 nan 8.270 nan 0.000 0.433 404 H N 0.859 119.990 119.070 0.102 0.000 2.353 404 H HA -0.080 4.476 4.556 0.000 0.000 0.300 404 H C 2.253 177.639 175.328 0.097 0.000 1.090 404 H CA 1.271 57.396 56.048 0.128 0.000 1.327 404 H CB -0.338 29.582 29.762 0.263 0.000 1.383 404 H HN 0.135 nan 8.280 nan 0.000 0.508 405 L N 0.120 121.504 121.223 0.269 0.000 1.971 405 L HA -0.235 4.105 4.340 0.000 0.000 0.215 405 L C 2.929 179.850 176.870 0.086 0.000 1.072 405 L CA 1.506 56.436 54.840 0.151 0.000 0.758 405 L CB -0.355 41.798 42.059 0.157 0.000 0.889 405 L HN 0.143 nan 8.230 nan 0.000 0.433 406 R N -0.638 119.906 120.500 0.073 0.000 2.073 406 R HA -0.157 4.183 4.340 0.000 0.000 0.234 406 R C 2.347 178.673 176.300 0.043 0.000 1.134 406 R CA 1.471 57.598 56.100 0.045 0.000 0.952 406 R CB -0.388 29.929 30.300 0.028 0.000 0.850 406 R HN 0.407 nan 8.270 nan 0.000 0.433 407 A N 0.584 123.437 122.820 0.055 0.000 1.902 407 A HA -0.128 4.193 4.320 0.000 0.000 0.217 407 A C 2.052 179.666 177.584 0.051 0.000 1.181 407 A CA 1.273 53.342 52.037 0.053 0.000 0.623 407 A CB -0.340 18.702 19.000 0.070 0.000 0.818 407 A HN 0.242 nan 8.150 nan 0.000 0.443 408 I N -1.421 119.184 120.570 0.059 0.000 2.429 408 I HA -0.083 4.087 4.170 0.000 0.000 0.247 408 I C 2.052 178.170 176.117 0.001 0.000 1.099 408 I CA 0.465 61.779 61.300 0.023 0.000 1.422 408 I CB -0.222 37.778 38.000 -0.000 0.000 1.112 408 I HN 0.167 nan 8.210 nan 0.000 0.430 409 L N 0.801 122.025 121.223 0.003 0.000 2.156 409 L HA 0.088 4.428 4.340 0.000 0.000 0.208 409 L C 1.678 178.558 176.870 0.017 0.000 1.095 409 L CA 1.513 56.352 54.840 -0.001 0.000 0.770 409 L CB -1.557 40.504 42.059 0.003 0.000 0.914 409 L HN 0.452 nan 8.230 nan 0.000 0.439 410 G N -0.055 108.759 108.800 0.023 0.000 2.596 410 G HA2 -0.353 3.607 3.960 0.000 0.000 0.295 410 G HA3 -0.353 3.607 3.960 0.000 0.000 0.295 410 G C -1.290 173.627 174.900 0.029 0.000 1.240 410 G CA 0.292 45.407 45.100 0.024 0.000 0.985 410 G HN 0.252 nan 8.290 nan 0.000 0.555 411 P HA 0.076 nan 4.420 nan 0.000 0.225 411 P C 1.926 179.254 177.300 0.045 0.000 1.148 411 P CA 1.373 64.491 63.100 0.031 0.000 0.779 411 P CB -0.095 31.618 31.700 0.022 0.000 0.780 412 I N -1.275 119.331 120.570 0.060 0.000 2.493 412 I HA -0.130 4.041 4.170 0.000 0.000 0.254 412 I C 1.248 177.422 176.117 0.096 0.000 1.160 412 I CA 0.164 61.524 61.300 0.100 0.000 1.445 412 I CB -0.455 37.619 38.000 0.124 0.000 1.086 412 I HN -0.032 nan 8.210 nan 0.000 0.433 413 L N 1.972 123.235 121.223 0.067 0.000 2.410 413 L HA 0.164 4.504 4.340 0.000 0.000 0.273 413 L C -0.296 176.615 176.870 0.069 0.000 1.144 413 L CA 0.007 54.886 54.840 0.065 0.000 0.863 413 L CB 0.555 42.643 42.059 0.048 0.000 1.140 413 L HN 0.018 nan 8.230 nan 0.000 0.463 414 L N 5.875 127.150 121.223 0.086 0.000 2.325 414 L HA 0.329 4.670 4.340 0.000 0.000 0.284 414 L C 0.378 177.289 176.870 0.067 0.000 1.089 414 L CA 0.386 55.282 54.840 0.092 0.000 0.836 414 L CB 0.234 42.379 42.059 0.143 0.000 1.184 414 L HN 0.843 nan 8.230 nan 0.000 0.444 415 D N 3.236 123.661 120.400 0.042 0.000 2.469 415 D HA 0.058 4.699 4.640 0.000 0.000 0.215 415 D C -0.077 176.218 176.300 -0.008 0.000 1.154 415 D CA -0.062 53.947 54.000 0.015 0.000 0.832 415 D CB 0.352 41.160 40.800 0.013 0.000 1.008 415 D HN 0.616 nan 8.370 nan 0.000 0.506 416 Q N 0.153 119.953 119.800 -0.000 0.000 2.435 416 Q HA 0.467 4.808 4.340 0.000 0.000 0.282 416 Q C -3.164 172.829 176.000 -0.011 0.000 1.020 416 Q CA -1.772 54.017 55.803 -0.024 0.000 0.820 416 Q CB 2.522 31.255 28.738 -0.009 0.000 1.436 416 Q HN -0.248 nan 8.270 nan 0.000 0.395 417 P HA 0.101 nan 4.420 nan 0.000 0.269 417 P C -0.697 176.681 177.300 0.131 0.000 1.215 417 P CA -0.018 63.074 63.100 -0.013 0.000 0.780 417 P CB 0.467 32.132 31.700 -0.058 0.000 0.898 418 L N 1.140 122.534 121.223 0.284 0.000 2.439 418 L HA 0.307 4.647 4.340 0.000 0.000 0.259 418 L C 0.853 177.789 176.870 0.110 0.000 1.129 418 L CA -0.536 54.406 54.840 0.170 0.000 0.803 418 L CB 0.240 42.387 42.059 0.146 0.000 1.161 418 L HN 0.309 nan 8.230 nan 0.000 0.462 419 D N 0.349 120.785 120.400 0.059 0.000 2.312 419 D HA 0.385 5.025 4.640 0.000 0.000 0.252 419 D C 0.760 177.075 176.300 0.025 0.000 1.150 419 D CA 1.031 55.054 54.000 0.038 0.000 0.870 419 D CB 1.234 42.047 40.800 0.021 0.000 1.153 419 D HN 0.674 nan 8.370 nan 0.000 0.457 420 G N 2.328 111.142 108.800 0.024 0.000 2.195 420 G HA2 -0.190 3.770 3.960 0.000 0.000 0.224 420 G HA3 -0.190 3.770 3.960 0.000 0.000 0.224 420 G C -0.027 174.870 174.900 -0.005 0.000 0.990 420 G CA 0.140 45.242 45.100 0.004 0.000 0.639 420 G HN 0.570 nan 8.290 nan 0.000 0.514 421 V N 2.138 122.066 119.914 0.023 0.000 2.311 421 V HA 0.690 4.810 4.120 0.000 0.000 0.275 421 V C 0.946 177.083 176.094 0.071 0.000 1.022 421 V CA 0.693 62.995 62.300 0.003 0.000 0.830 421 V CB 0.792 32.611 31.823 -0.006 0.000 1.012 421 V HN 0.805 nan 8.190 nan 0.000 0.452 422 T N -0.971 113.589 114.554 0.010 0.000 3.051 422 T HA -0.035 4.316 4.350 0.000 0.000 0.254 422 T C 1.247 175.986 174.700 0.066 0.000 0.916 422 T CA 0.727 62.887 62.100 0.100 0.000 0.894 422 T CB 0.341 69.258 68.868 0.082 0.000 1.251 422 T HN 0.530 nan 8.240 nan 0.000 0.517 423 T N 0.372 114.862 114.554 -0.107 0.000 3.037 423 T HA 0.468 4.818 4.350 0.000 0.000 0.252 423 T C 0.759 175.194 174.700 -0.442 0.000 1.073 423 T CA -0.010 62.018 62.100 -0.119 0.000 1.091 423 T CB 0.182 69.010 68.868 -0.066 0.000 0.935 423 T HN 0.352 nan 8.240 nan 0.000 0.488 424 S N -0.638 114.559 115.700 -0.840 0.000 2.790 424 S HA 0.617 5.087 4.470 0.000 0.000 0.292 424 S C -1.191 172.754 174.600 -1.091 0.000 1.197 424 S CA -0.913 56.697 58.200 -0.983 0.000 0.851 424 S CB 0.988 63.943 63.200 -0.408 0.000 1.217 424 S HN 0.215 nan 8.310 nan 0.000 0.526 425 L N 3.248 124.168 121.223 -0.505 0.000 2.436 425 L HA 0.350 4.691 4.340 0.000 0.000 0.265 425 L C -1.917 174.760 176.870 -0.322 0.000 1.168 425 L CA -1.510 53.197 54.840 -0.222 0.000 0.815 425 L CB 0.341 42.405 42.059 0.008 0.000 1.109 425 L HN 0.421 nan 8.230 nan 0.000 0.462 426 P HA 0.056 nan 4.420 nan 0.000 0.274 426 P C -0.864 176.279 177.300 -0.262 0.000 1.260 426 P CA -0.454 62.423 63.100 -0.373 0.000 0.793 426 P CB 0.698 32.092 31.700 -0.510 0.000 1.048 427 S N -0.850 114.716 115.700 -0.223 0.000 2.713 427 S HA 0.426 4.897 4.470 0.000 0.000 0.283 427 S C -1.948 172.466 174.600 -0.310 0.000 1.161 427 S CA -1.430 56.636 58.200 -0.223 0.000 0.999 427 S CB 0.796 63.901 63.200 -0.158 0.000 1.039 427 S HN 0.160 nan 8.310 nan 0.000 0.548 428 P HA -0.029 nan 4.420 nan 0.000 0.218 428 P C 1.373 178.598 177.300 -0.125 0.000 1.149 428 P CA 0.972 63.731 63.100 -0.567 0.000 0.817 428 P CB 0.086 31.091 31.700 -1.160 0.000 0.785 429 E N -0.235 119.906 120.200 -0.098 0.000 2.047 429 E HA -0.186 4.164 4.350 0.000 0.000 0.191 429 E C 2.062 178.627 176.600 -0.058 0.000 0.987 429 E CA 1.223 57.630 56.400 0.012 0.000 0.799 429 E CB -0.494 29.202 29.700 -0.006 0.000 0.752 429 E HN 0.391 nan 8.360 nan 0.000 0.449 430 Q N -0.056 119.687 119.800 -0.094 0.000 2.181 430 Q HA -0.069 4.271 4.340 0.000 0.000 0.205 430 Q C 1.843 177.791 176.000 -0.086 0.000 0.980 430 Q CA 0.838 56.586 55.803 -0.092 0.000 0.862 430 Q CB 0.032 28.701 28.738 -0.115 0.000 0.905 430 Q HN 0.201 nan 8.270 nan 0.000 0.429 431 L N 0.133 121.294 121.223 -0.103 0.000 2.667 431 L HA 0.139 4.479 4.340 0.000 0.000 0.232 431 L C 0.293 177.118 176.870 -0.075 0.000 1.138 431 L CA -0.274 54.524 54.840 -0.071 0.000 0.921 431 L CB 0.212 42.228 42.059 -0.073 0.000 1.180 431 L HN -0.035 nan 8.230 nan 0.000 0.487 432 K N 1.013 121.339 120.400 -0.123 0.000 2.511 432 K HA 0.041 4.361 4.320 0.000 0.000 0.280 432 K C 1.201 177.618 176.600 -0.305 0.000 1.008 432 K CA 1.052 57.186 56.287 -0.255 0.000 1.050 432 K CB 0.290 32.612 32.500 -0.296 0.000 0.889 432 K HN 0.308 nan 8.250 nan 0.000 0.484 433 G N 2.516 110.977 108.800 -0.565 0.000 2.155 433 G HA2 -0.224 3.736 3.960 0.000 0.000 0.257 433 G HA3 -0.224 3.736 3.960 0.000 0.000 0.257 433 G C -0.207 174.603 174.900 -0.150 0.000 0.983 433 G CA 0.278 44.931 45.100 -0.745 0.000 0.676 433 G HN 0.444 nan 8.290 nan 0.000 0.528 434 K N -0.155 120.275 120.400 0.051 0.000 2.208 434 K HA 0.748 5.069 4.320 0.000 0.000 0.247 434 K C 0.189 176.977 176.600 0.313 0.000 0.953 434 K CA -0.986 55.416 56.287 0.192 0.000 0.837 434 K CB 1.664 34.226 32.500 0.103 0.000 1.131 434 K HN 0.214 nan 8.250 nan 0.000 0.431 435 I N 3.978 124.677 120.570 0.215 0.000 2.362 435 I HA 0.327 4.497 4.170 0.000 0.000 0.289 435 I C -0.160 176.032 176.117 0.125 0.000 0.994 435 I CA -0.948 60.438 61.300 0.144 0.000 1.158 435 I CB 0.944 38.980 38.000 0.060 0.000 1.315 435 I HN 0.322 nan 8.210 nan 0.000 0.451 436 L N 5.218 126.524 121.223 0.137 0.000 2.342 436 L HA 0.715 5.056 4.340 0.000 0.000 0.271 436 L C -1.119 175.827 176.870 0.127 0.000 1.008 436 L CA -0.932 53.995 54.840 0.145 0.000 0.818 436 L CB 1.713 43.892 42.059 0.199 0.000 1.296 436 L HN 0.395 nan 8.230 nan 0.000 0.427 437 L N 2.308 123.599 121.223 0.114 0.000 2.334 437 L HA 0.549 4.889 4.340 0.000 0.000 0.277 437 L C -0.026 176.908 176.870 0.107 0.000 1.075 437 L CA -0.451 54.447 54.840 0.097 0.000 0.804 437 L CB 1.423 43.526 42.059 0.074 0.000 1.174 437 L HN 0.694 nan 8.230 nan 0.000 0.438 438 K N 1.824 122.284 120.400 0.100 0.000 2.345 438 K HA 0.760 5.080 4.320 0.000 0.000 0.255 438 K C -0.697 175.942 176.600 0.066 0.000 0.934 438 K CA -0.283 56.065 56.287 0.101 0.000 0.801 438 K CB 2.137 34.710 32.500 0.121 0.000 1.137 438 K HN 0.842 nan 8.250 nan 0.000 0.424 439 G N 2.490 111.317 108.800 0.044 0.000 2.342 439 G HA2 0.152 4.113 3.960 0.000 0.000 0.297 439 G HA3 0.152 4.113 3.960 0.000 0.000 0.297 439 G C -1.610 173.280 174.900 -0.017 0.000 1.313 439 G CA -0.821 44.281 45.100 0.003 0.000 0.830 439 G HN 0.404 nan 8.290 nan 0.000 0.506 440 K N 0.468 120.836 120.400 -0.053 0.000 2.218 440 K HA 0.394 4.714 4.320 0.000 0.000 0.276 440 K C -0.408 176.161 176.600 -0.051 0.000 1.022 440 K CA -0.237 56.010 56.287 -0.067 0.000 0.946 440 K CB 1.915 34.355 32.500 -0.099 0.000 1.000 440 K HN 0.482 nan 8.250 nan 0.000 0.468 441 K N 2.972 123.346 120.400 -0.043 0.000 2.378 441 K HA 0.288 4.609 4.320 0.000 0.000 0.252 441 K C -0.469 176.107 176.600 -0.039 0.000 0.931 441 K CA -0.692 55.573 56.287 -0.036 0.000 0.794 441 K CB 1.167 33.654 32.500 -0.021 0.000 1.181 441 K HN 0.461 nan 8.250 nan 0.000 0.425 442 L N 3.029 124.227 121.223 -0.041 0.000 2.578 442 L HA 0.031 4.372 4.340 0.000 0.000 0.279 442 L C 1.156 178.008 176.870 -0.031 0.000 1.227 442 L CA 0.068 54.885 54.840 -0.038 0.000 0.900 442 L CB 0.146 42.182 42.059 -0.039 0.000 1.144 442 L HN 0.813 nan 8.230 nan 0.000 0.496 443 G N 2.529 111.313 108.800 -0.026 0.000 2.474 443 G HA2 0.306 4.266 3.960 0.000 0.000 0.233 443 G HA3 0.306 4.266 3.960 0.000 0.000 0.233 443 G C 0.508 175.398 174.900 -0.017 0.000 1.278 443 G CA 0.149 45.238 45.100 -0.018 0.000 0.861 443 G HN 0.835 nan 8.290 nan 0.000 0.567 444 G N 0.160 108.954 108.800 -0.010 0.000 3.392 444 G HA2 0.508 4.469 3.960 0.000 0.000 0.188 444 G HA3 0.508 4.469 3.960 0.000 0.000 0.188 444 G C 0.359 175.255 174.900 -0.006 0.000 1.485 444 G CA -0.889 44.203 45.100 -0.013 0.000 0.943 444 G HN 0.597 nan 8.290 nan 0.000 0.627 485 K N 1.600 121.983 120.400 -0.029 0.000 2.281 485 K HA -0.030 4.290 4.320 0.000 0.000 0.203 485 K C 1.788 178.370 176.600 -0.030 0.000 1.046 485 K CA 1.344 57.613 56.287 -0.030 0.000 0.938 485 K CB -0.220 32.265 32.500 -0.026 0.000 0.737 485 K HN 0.251 nan 8.250 nan 0.000 0.458 486 L N 0.354 121.561 121.223 -0.027 0.000 2.592 486 L HA 0.135 4.476 4.340 0.000 0.000 0.227 486 L C 1.677 178.529 176.870 -0.029 0.000 1.127 486 L CA 0.268 55.094 54.840 -0.025 0.000 0.884 486 L CB 0.064 42.112 42.059 -0.018 0.000 1.065 486 L HN 0.103 nan 8.230 nan 0.000 0.457 487 K N -0.127 120.252 120.400 -0.036 0.000 2.329 487 K HA 0.308 4.628 4.320 0.000 0.000 0.198 487 K C 0.311 176.874 176.600 -0.062 0.000 1.085 487 K CA 0.256 56.516 56.287 -0.045 0.000 0.961 487 K CB 1.020 33.494 32.500 -0.043 0.000 0.971 487 K HN 0.033 nan 8.250 nan 0.000 0.502 488 L N 2.319 123.507 121.223 -0.059 0.000 2.385 488 L HA 0.338 4.678 4.340 0.000 0.000 0.273 488 L C -0.766 176.069 176.870 -0.059 0.000 0.990 488 L CA -1.209 53.590 54.840 -0.068 0.000 0.821 488 L CB 2.102 44.121 42.059 -0.067 0.000 1.279 488 L HN -0.119 nan 8.230 nan 0.000 0.412 489 V N 2.122 121.997 119.914 -0.064 0.000 2.732 489 V HA 0.416 4.536 4.120 0.000 0.000 0.297 489 V C -2.130 173.933 176.094 -0.051 0.000 1.060 489 V CA -1.088 61.178 62.300 -0.055 0.000 1.038 489 V CB 1.024 32.812 31.823 -0.058 0.000 1.003 489 V HN 0.660 nan 8.190 nan 0.000 0.481 490 P HA -0.017 nan 4.420 nan 0.000 0.219 490 P C 1.369 178.646 177.300 -0.039 0.000 1.150 490 P CA 1.147 64.222 63.100 -0.041 0.000 0.814 490 P CB 0.250 31.928 31.700 -0.036 0.000 0.787 491 E N -0.649 119.528 120.200 -0.040 0.000 2.097 491 E HA -0.168 4.182 4.350 0.000 0.000 0.196 491 E C 1.914 178.495 176.600 -0.032 0.000 1.000 491 E CA 1.140 57.518 56.400 -0.036 0.000 0.804 491 E CB -0.768 28.907 29.700 -0.040 0.000 0.740 491 E HN 0.235 nan 8.360 nan 0.000 0.454 492 L N -0.723 120.476 121.223 -0.040 0.000 2.200 492 L HA -0.003 4.338 4.340 0.000 0.000 0.200 492 L C 2.412 179.262 176.870 -0.034 0.000 1.072 492 L CA 0.735 55.555 54.840 -0.035 0.000 0.787 492 L CB -0.322 41.704 42.059 -0.055 0.000 0.957 492 L HN 0.128 nan 8.230 nan 0.000 0.459 493 S N -0.027 115.647 115.700 -0.043 0.000 2.419 493 S HA -0.213 4.257 4.470 0.000 0.000 0.235 493 S C 1.384 175.958 174.600 -0.043 0.000 1.019 493 S CA 1.711 59.885 58.200 -0.043 0.000 0.982 493 S CB -0.250 62.922 63.200 -0.047 0.000 0.789 493 S HN 0.376 nan 8.310 nan 0.000 0.490 494 D N 0.577 120.953 120.400 -0.041 0.000 2.347 494 D HA 0.095 4.735 4.640 0.000 0.000 0.215 494 D C 1.497 177.772 176.300 -0.041 0.000 0.976 494 D CA 0.653 54.626 54.000 -0.045 0.000 0.884 494 D CB -0.163 40.613 40.800 -0.039 0.000 0.915 494 D HN 0.507 nan 8.370 nan 0.000 0.526 495 M N -0.049 119.535 119.600 -0.026 0.000 2.502 495 M HA 0.057 4.537 4.480 0.000 0.000 0.243 495 M C -0.103 176.191 176.300 -0.010 0.000 1.130 495 M CA 0.184 55.477 55.300 -0.011 0.000 1.055 495 M CB 0.830 33.436 32.600 0.010 0.000 1.457 495 M HN -0.193 nan 8.290 nan 0.000 0.488 496 I N 1.330 121.887 120.570 -0.022 0.000 2.308 496 I HA 0.115 4.286 4.170 0.000 0.000 0.293 496 I C 0.867 176.945 176.117 -0.065 0.000 1.078 496 I CA 0.170 61.462 61.300 -0.014 0.000 1.292 496 I CB -0.233 37.763 38.000 -0.006 0.000 1.423 496 I HN 0.237 nan 8.210 nan 0.000 0.493 497 I N 4.314 124.828 120.570 -0.092 0.000 3.132 497 I HA -0.075 4.095 4.170 0.000 0.000 0.255 497 I C 1.147 177.052 176.117 -0.353 0.000 1.118 497 I CA 0.700 61.823 61.300 -0.296 0.000 1.463 497 I CB -0.056 37.697 38.000 -0.413 0.000 1.356 497 I HN 0.353 nan 8.210 nan 0.000 0.463 498 Y N 0.573 120.943 120.300 0.117 0.000 2.458 498 Y HA 0.217 4.768 4.550 0.000 0.000 0.254 498 Y C 0.678 176.709 175.900 0.219 0.000 1.120 498 Y CA -0.454 57.767 58.100 0.202 0.000 1.282 498 Y CB 0.326 38.920 38.460 0.224 0.000 1.109 498 Y HN 0.125 nan 8.280 nan 0.000 0.526 499 C N 1.750 121.213 119.300 0.271 0.000 2.814 499 C HA 0.319 4.779 4.460 0.000 0.000 0.269 499 C C -0.093 174.986 174.990 0.148 0.000 1.090 499 C CA -1.565 57.584 59.018 0.219 0.000 1.492 499 C CB -0.563 27.302 27.740 0.207 0.000 1.825 499 C HN 0.158 nan 8.230 nan 0.000 0.442 500 K N 2.041 122.525 120.400 0.141 0.000 2.234 500 K HA 0.361 4.682 4.320 0.000 0.000 0.277 500 K C 0.056 176.687 176.600 0.051 0.000 1.038 500 K CA 0.089 56.428 56.287 0.087 0.000 0.888 500 K CB 0.741 33.309 32.500 0.112 0.000 1.091 500 K HN 0.562 nan 8.250 nan 0.000 0.467 501 S N 2.269 117.981 115.700 0.020 0.000 2.546 501 S HA 0.097 4.567 4.470 0.000 0.000 0.290 501 S C -0.454 174.105 174.600 -0.069 0.000 1.290 501 S CA -0.347 57.847 58.200 -0.011 0.000 1.069 501 S CB 0.554 63.730 63.200 -0.041 0.000 0.846 501 S HN 0.427 nan 8.310 nan 0.000 0.495 502 V N 3.870 123.744 119.914 -0.067 0.000 3.114 502 V HA 0.339 4.459 4.120 0.000 0.000 0.308 502 V C -0.878 175.157 176.094 -0.099 0.000 1.168 502 V CA -0.961 61.276 62.300 -0.105 0.000 1.015 502 V CB 2.205 34.015 31.823 -0.022 0.000 1.050 502 V HN 0.769 nan 8.190 nan 0.000 0.433 503 H N 1.674 120.727 119.070 -0.028 0.000 2.525 503 H HA 0.337 4.893 4.556 0.000 0.000 0.339 503 H C -0.375 174.917 175.328 -0.059 0.000 1.109 503 H CA -0.552 55.464 56.048 -0.053 0.000 1.352 503 H CB 1.104 30.829 29.762 -0.061 0.000 1.461 503 H HN 0.508 nan 8.280 nan 0.000 0.533 504 F N 2.634 122.499 119.950 -0.142 0.000 2.557 504 F HA 0.119 4.647 4.527 0.000 0.000 0.384 504 F C 1.086 176.789 175.800 -0.162 0.000 1.057 504 F CA -0.056 57.800 58.000 -0.240 0.000 1.169 504 F CB 0.253 38.977 39.000 -0.460 0.000 1.070 504 F HN 0.606 nan 8.300 nan 0.000 0.554 505 G N 3.565 111.910 108.800 -0.758 0.000 2.557 505 G HA2 0.448 4.408 3.960 0.000 0.000 0.213 505 G HA3 0.448 4.408 3.960 0.000 0.000 0.213 505 G C 0.417 174.530 174.900 -1.312 0.000 1.221 505 G CA 0.491 45.152 45.100 -0.732 0.000 0.832 505 G HN 1.229 nan 8.290 nan 0.000 0.556 506 G N -1.837 106.055 108.800 -1.514 0.000 2.322 506 G HA2 0.417 4.377 3.960 0.000 0.000 0.295 506 G HA3 0.417 4.377 3.960 0.000 0.000 0.295 506 G C -1.541 173.093 174.900 -0.444 0.000 1.369 506 G CA -1.022 43.309 45.100 -1.281 0.000 0.821 506 G HN 0.113 nan 8.290 nan 0.000 0.536 507 F N 1.557 121.533 119.950 0.043 0.000 2.375 507 F HA 0.630 5.157 4.527 0.000 0.000 0.333 507 F C 1.483 177.324 175.800 0.069 0.000 1.104 507 F CA -0.560 57.506 58.000 0.111 0.000 1.149 507 F CB 1.465 40.539 39.000 0.123 0.000 1.190 507 F HN 0.605 nan 8.300 nan 0.000 0.533 508 S N 0.321 116.204 115.700 0.306 0.000 2.546 508 S HA 0.285 4.755 4.470 0.000 0.000 0.265 508 S C 1.096 175.782 174.600 0.143 0.000 1.190 508 S CA -0.136 58.170 58.200 0.177 0.000 1.014 508 S CB 0.560 63.860 63.200 0.166 0.000 1.087 508 S HN 0.495 nan 8.310 nan 0.000 0.525 509 S N 1.362 117.125 115.700 0.105 0.000 2.324 509 S HA 0.195 4.666 4.470 0.000 0.000 0.210 509 S C -1.498 173.150 174.600 0.080 0.000 1.027 509 S CA 0.017 58.267 58.200 0.083 0.000 0.945 509 S CB -1.690 61.547 63.200 0.061 0.000 0.908 509 S HN 0.827 nan 8.310 nan 0.000 0.496 510 P HA 0.149 nan 4.420 nan 0.000 0.235 510 P C -0.286 177.056 177.300 0.070 0.000 1.068 510 P CA 0.528 63.673 63.100 0.077 0.000 0.934 510 P CB -0.651 31.089 31.700 0.067 0.000 0.863 511 G N 1.087 109.934 108.800 0.077 0.000 2.766 511 G HA2 0.464 4.424 3.960 0.000 0.000 0.288 511 G HA3 0.464 4.424 3.960 0.000 0.000 0.288 511 G C 0.356 175.294 174.900 0.064 0.000 1.408 511 G CA -0.368 44.770 45.100 0.062 0.000 0.852 511 G HN 0.290 nan 8.290 nan 0.000 0.487 512 T N -1.959 112.624 114.554 0.047 0.000 3.317 512 T HA 0.172 4.522 4.350 0.000 0.000 0.250 512 T C 1.618 176.335 174.700 0.029 0.000 1.106 512 T CA 0.918 63.042 62.100 0.041 0.000 0.986 512 T CB 0.310 69.196 68.868 0.031 0.000 1.010 512 T HN 0.340 nan 8.240 nan 0.000 0.560 513 S N 1.161 116.882 115.700 0.034 0.000 2.289 513 S HA 0.363 4.833 4.470 0.000 0.000 0.193 513 S C 1.612 176.231 174.600 0.031 0.000 1.002 513 S CA 0.299 58.504 58.200 0.007 0.000 0.951 513 S CB -1.011 62.188 63.200 -0.002 0.000 0.920 513 S HN 0.713 nan 8.310 nan 0.000 0.502 514 G N 3.198 112.061 108.800 0.105 0.000 2.148 514 G HA2 0.158 4.118 3.960 0.000 0.000 0.275 514 G HA3 0.158 4.118 3.960 0.000 0.000 0.275 514 G C -0.081 174.937 174.900 0.197 0.000 0.979 514 G CA 0.034 45.275 45.100 0.235 0.000 1.154 514 G HN 0.716 nan 8.290 nan 0.000 0.377 515 Q N 0.783 120.680 119.800 0.161 0.000 2.493 515 Q HA 0.126 4.466 4.340 0.000 0.000 0.342 515 Q C 0.996 176.979 176.000 -0.029 0.000 1.345 515 Q CA 0.810 56.643 55.803 0.050 0.000 1.045 515 Q CB -0.025 28.745 28.738 0.053 0.000 1.295 515 Q HN 0.829 nan 8.270 nan 0.000 0.462 516 A N 0.637 123.297 122.820 -0.266 0.000 2.313 516 A HA 0.331 4.651 4.320 0.000 0.000 0.261 516 A C 0.559 177.900 177.584 -0.405 0.000 1.090 516 A CA -0.077 51.687 52.037 -0.454 0.000 0.807 516 A CB -0.173 18.139 19.000 -1.146 0.000 1.055 516 A HN 0.827 nan 8.150 nan 0.000 0.492 517 F N -0.116 119.751 119.950 -0.138 0.000 2.192 517 F HA -0.230 4.298 4.527 0.000 0.000 0.301 517 F C 1.296 177.124 175.800 0.047 0.000 1.079 517 F CA 1.578 59.584 58.000 0.009 0.000 1.303 517 F CB -1.113 37.956 39.000 0.116 0.000 1.024 517 F HN 0.571 nan 8.300 nan 0.000 0.494 518 Y N -0.071 119.913 120.300 -0.528 0.000 2.495 518 Y HA 0.517 5.067 4.550 0.000 0.000 0.293 518 Y C -0.470 175.392 175.900 -0.063 0.000 1.186 518 Y CA -1.385 56.590 58.100 -0.209 0.000 1.266 518 Y CB -1.294 36.888 38.460 -0.463 0.000 1.101 518 Y HN 0.149 nan 8.280 nan 0.000 0.517 519 E N 2.104 122.092 120.200 -0.353 0.000 2.158 519 E HA 0.386 4.736 4.350 0.000 0.000 0.271 519 E C -1.333 175.297 176.600 0.051 0.000 0.911 519 E CA -0.803 55.509 56.400 -0.147 0.000 0.767 519 E CB 2.016 31.564 29.700 -0.254 0.000 1.120 519 E HN 0.372 nan 8.360 nan 0.000 0.405 520 M N 2.968 122.635 119.600 0.112 0.000 2.125 520 M HA 0.521 5.001 4.480 0.000 0.000 0.321 520 M C -1.258 175.152 176.300 0.183 0.000 0.983 520 M CA -0.421 54.992 55.300 0.188 0.000 0.934 520 M CB 1.061 33.778 32.600 0.194 0.000 1.542 520 M HN 0.609 nan 8.290 nan 0.000 0.424 521 A N 3.450 126.428 122.820 0.263 0.000 2.295 521 A HA 0.820 5.140 4.320 0.000 0.000 0.318 521 A C -0.635 177.028 177.584 0.132 0.000 1.134 521 A CA -0.541 51.576 52.037 0.133 0.000 0.827 521 A CB 0.994 20.056 19.000 0.104 0.000 1.136 521 A HN 0.784 nan 8.150 nan 0.000 0.493 522 S N -0.231 115.428 115.700 -0.069 0.000 2.532 522 S HA 0.838 5.308 4.470 0.000 0.000 0.301 522 S C -1.299 173.133 174.600 -0.280 0.000 1.083 522 S CA -0.148 58.094 58.200 0.070 0.000 1.025 522 S CB 0.717 64.064 63.200 0.245 0.000 1.056 522 S HN 0.447 nan 8.310 nan 0.000 0.494 523 F N 0.923 120.761 119.950 -0.187 0.000 2.581 523 F HA 0.454 4.981 4.527 0.000 0.000 0.311 523 F C 0.592 175.934 175.800 -0.764 0.000 1.113 523 F CA -0.976 56.846 58.000 -0.297 0.000 0.935 523 F CB 1.479 40.380 39.000 -0.166 0.000 1.232 523 F HN 0.553 nan 8.300 nan 0.000 0.445 524 S N 0.432 115.852 115.700 -0.467 0.000 2.603 524 S HA 0.146 4.616 4.470 0.000 0.000 0.268 524 S C 1.197 175.614 174.600 -0.305 0.000 1.317 524 S CA -0.157 57.740 58.200 -0.505 0.000 1.012 524 S CB 1.262 64.521 63.200 0.099 0.000 0.926 524 S HN 0.897 nan 8.310 nan 0.000 0.539 525 E N 1.745 121.723 120.200 -0.371 0.000 2.114 525 E HA -0.243 4.107 4.350 0.000 0.000 0.199 525 E C 1.661 178.141 176.600 -0.199 0.000 1.008 525 E CA 1.961 58.095 56.400 -0.444 0.000 0.810 525 E CB -0.484 28.868 29.700 -0.580 0.000 0.739 525 E HN 0.771 nan 8.360 nan 0.000 0.456 526 S N 0.618 116.268 115.700 -0.084 0.000 2.343 526 S HA -0.187 4.283 4.470 0.000 0.000 0.219 526 S C 1.997 176.595 174.600 -0.004 0.000 1.033 526 S CA 1.305 59.502 58.200 -0.005 0.000 1.014 526 S CB -0.484 62.749 63.200 0.054 0.000 0.915 526 S HN 0.297 nan 8.310 nan 0.000 0.435 527 R N 1.482 121.989 120.500 0.012 0.000 2.091 527 R HA -0.105 4.235 4.340 0.000 0.000 0.238 527 R C 2.424 178.742 176.300 0.030 0.000 1.136 527 R CA 1.299 57.424 56.100 0.042 0.000 0.959 527 R CB -0.601 29.753 30.300 0.090 0.000 0.856 527 R HN 0.409 nan 8.270 nan 0.000 0.437 528 A N 1.059 123.883 122.820 0.006 0.000 1.865 528 A HA -0.187 4.134 4.320 0.000 0.000 0.217 528 A C 2.189 179.778 177.584 0.008 0.000 1.191 528 A CA 1.590 53.623 52.037 -0.006 0.000 0.623 528 A CB -0.714 18.230 19.000 -0.092 0.000 0.826 528 A HN 0.358 nan 8.150 nan 0.000 0.444 529 L N -1.394 119.810 121.223 -0.032 0.000 2.042 529 L HA -0.207 4.133 4.340 0.000 0.000 0.210 529 L C 2.861 179.734 176.870 0.005 0.000 1.076 529 L CA 1.724 56.553 54.840 -0.019 0.000 0.749 529 L CB -0.536 41.507 42.059 -0.026 0.000 0.893 529 L HN 0.403 nan 8.230 nan 0.000 0.432 530 R N 0.349 120.853 120.500 0.008 0.000 2.073 530 R HA -0.155 4.186 4.340 0.000 0.000 0.234 530 R C 2.378 178.689 176.300 0.019 0.000 1.134 530 R CA 1.456 57.563 56.100 0.012 0.000 0.952 530 R CB -0.317 29.991 30.300 0.012 0.000 0.850 530 R HN 0.301 nan 8.270 nan 0.000 0.433 531 L N 0.570 121.800 121.223 0.012 0.000 2.079 531 L HA -0.212 4.129 4.340 0.000 0.000 0.210 531 L C 2.337 179.274 176.870 0.111 0.000 1.081 531 L CA 1.152 56.001 54.840 0.015 0.000 0.752 531 L CB -0.276 41.665 42.059 -0.197 0.000 0.896 531 L HN 0.250 nan 8.230 nan 0.000 0.433 532 L N -1.237 120.060 121.223 0.124 0.000 2.217 532 L HA -0.151 4.189 4.340 0.000 0.000 0.211 532 L C 2.681 179.562 176.870 0.018 0.000 1.107 532 L CA 0.446 55.337 54.840 0.084 0.000 0.783 532 L CB -0.366 41.705 42.059 0.020 0.000 0.919 532 L HN 0.294 nan 8.230 nan 0.000 0.442 533 Q N 0.754 120.563 119.800 0.016 0.000 1.965 533 Q HA -0.199 4.141 4.340 0.000 0.000 0.200 533 Q C 2.013 178.016 176.000 0.004 0.000 0.981 533 Q CA 1.931 57.734 55.803 0.000 0.000 0.834 533 Q CB -0.017 28.723 28.738 0.004 0.000 0.900 533 Q HN 0.525 nan 8.270 nan 0.000 0.426 534 E N -0.873 119.340 120.200 0.022 0.000 2.033 534 E HA -0.021 4.329 4.350 0.000 0.000 0.189 534 E C 2.121 178.749 176.600 0.046 0.000 0.979 534 E CA 1.204 57.621 56.400 0.028 0.000 0.802 534 E CB 0.076 29.795 29.700 0.031 0.000 0.763 534 E HN 0.154 nan 8.360 nan 0.000 0.449 535 S N -0.770 114.983 115.700 0.088 0.000 2.355 535 S HA 0.133 4.604 4.470 0.000 0.000 0.216 535 S C 1.689 176.316 174.600 0.046 0.000 1.037 535 S CA 0.525 58.801 58.200 0.128 0.000 0.955 535 S CB -0.231 63.170 63.200 0.334 0.000 0.877 535 S HN 0.504 nan 8.310 nan 0.000 0.488 536 G N 2.960 111.786 108.800 0.043 0.000 4.862 536 G HA2 -0.496 3.464 3.960 0.000 0.000 0.344 536 G HA3 -0.496 3.464 3.960 0.000 0.000 0.344 536 G C 1.088 175.925 174.900 -0.106 0.000 1.365 536 G CA 0.899 45.969 45.100 -0.049 0.000 1.066 536 G HN 0.468 nan 8.290 nan 0.000 0.808 537 N N 2.741 121.368 118.700 -0.123 0.000 2.149 537 N HA -0.097 4.643 4.740 0.000 0.000 0.188 537 N C 2.390 177.823 175.510 -0.129 0.000 1.019 537 N CA 2.493 55.469 53.050 -0.124 0.000 0.857 537 N CB -0.816 37.616 38.487 -0.092 0.000 0.997 537 N HN 0.701 nan 8.380 nan 0.000 0.426 538 G N 0.170 108.884 108.800 -0.143 0.000 2.421 538 G HA2 -0.236 3.724 3.960 0.000 0.000 0.216 538 G HA3 -0.236 3.724 3.960 0.000 0.000 0.216 538 G C 1.345 175.697 174.900 -0.914 0.000 1.171 538 G CA 0.244 45.161 45.100 -0.305 0.000 0.775 538 G HN 0.274 nan 8.290 nan 0.000 0.543 539 F N 1.268 120.527 119.950 -1.151 0.000 2.102 539 F HA -0.047 4.480 4.527 0.000 0.000 0.298 539 F C 2.866 178.398 175.800 -0.447 0.000 1.105 539 F CA 0.512 57.891 58.000 -1.035 0.000 1.239 539 F CB -0.718 37.971 39.000 -0.518 0.000 0.991 539 F HN 0.008 nan 8.300 nan 0.000 0.474 540 V N 0.736 120.575 119.914 -0.124 0.000 2.231 540 V HA -0.362 3.759 4.120 0.000 0.000 0.248 540 V C 2.595 178.634 176.094 -0.090 0.000 1.054 540 V CA 2.414 64.638 62.300 -0.127 0.000 1.015 540 V CB -0.678 31.085 31.823 -0.099 0.000 0.638 540 V HN 0.240 nan 8.190 nan 0.000 0.444 541 R N -0.965 119.488 120.500 -0.078 0.000 2.105 541 R HA -0.218 4.122 4.340 0.000 0.000 0.239 541 R C 2.314 178.621 176.300 0.012 0.000 1.135 541 R CA 1.905 57.987 56.100 -0.029 0.000 0.967 541 R CB -0.601 29.696 30.300 -0.005 0.000 0.861 541 R HN 0.746 nan 8.270 nan 0.000 0.442 542 H N 1.185 120.201 119.070 -0.091 0.000 2.319 542 H HA -0.048 4.508 4.556 0.000 0.000 0.299 542 H C 1.438 176.831 175.328 0.109 0.000 1.092 542 H CA 1.762 57.838 56.048 0.046 0.000 1.302 542 H CB -0.117 29.660 29.762 0.025 0.000 1.373 542 H HN 0.073 nan 8.280 nan 0.000 0.497 543 N N 0.252 118.930 118.700 -0.037 0.000 2.571 543 N HA -0.076 4.665 4.740 0.000 0.000 0.189 543 N C 1.655 177.119 175.510 -0.076 0.000 1.154 543 N CA 0.676 53.676 53.050 -0.083 0.000 0.907 543 N CB 0.141 38.588 38.487 -0.066 0.000 0.977 543 N HN 0.274 nan 8.380 nan 0.000 0.449 544 V N 0.504 120.375 119.914 -0.071 0.000 2.323 544 V HA -0.139 3.981 4.120 0.000 0.000 0.244 544 V C 2.006 178.146 176.094 0.077 0.000 1.041 544 V CA 2.023 64.291 62.300 -0.052 0.000 1.025 544 V CB -0.349 31.445 31.823 -0.048 0.000 0.656 544 V HN 0.383 nan 8.190 nan 0.000 0.451 545 S N -3.055 112.680 115.700 0.059 0.000 2.511 545 S HA 0.148 4.618 4.470 0.000 0.000 0.214 545 S C 0.478 175.135 174.600 0.095 0.000 0.997 545 S CA -0.380 57.886 58.200 0.109 0.000 0.908 545 S CB -0.133 63.132 63.200 0.108 0.000 0.803 545 S HN 0.420 nan 8.310 nan 0.000 0.504 546 C N 2.037 121.326 119.300 -0.018 0.000 2.417 546 C HA 0.604 5.064 4.460 0.000 0.000 0.324 546 C C 0.067 175.082 174.990 0.040 0.000 1.240 546 C CA -1.085 57.911 59.018 -0.037 0.000 1.632 546 C CB 0.825 28.375 27.740 -0.316 0.000 2.241 546 C HN 0.540 nan 8.230 nan 0.000 0.499 547 L N 3.076 124.390 121.223 0.152 0.000 2.290 547 L HA 0.372 4.712 4.340 0.000 0.000 0.284 547 L C 0.185 177.224 176.870 0.282 0.000 1.078 547 L CA 0.542 55.505 54.840 0.205 0.000 0.815 547 L CB 0.991 43.185 42.059 0.226 0.000 1.162 547 L HN 0.737 nan 8.230 nan 0.000 0.435 548 S N 3.358 119.238 115.700 0.300 0.000 2.503 548 S HA 0.586 5.057 4.470 0.000 0.000 0.301 548 S C -0.568 174.235 174.600 0.338 0.000 1.087 548 S CA -0.731 57.726 58.200 0.429 0.000 1.042 548 S CB 2.153 65.635 63.200 0.469 0.000 1.043 548 S HN 0.538 nan 8.310 nan 0.000 0.489 549 R N 2.438 123.173 120.500 0.390 0.000 2.514 549 R HA 0.606 4.946 4.340 0.000 0.000 0.301 549 R C -1.344 175.119 176.300 0.272 0.000 0.962 549 R CA -0.524 55.758 56.100 0.304 0.000 0.882 549 R CB 0.478 30.951 30.300 0.288 0.000 1.143 549 R HN 0.494 nan 8.270 nan 0.000 0.452 550 I N 5.509 126.184 120.570 0.174 0.000 2.509 550 I HA 0.359 4.529 4.170 0.000 0.000 0.293 550 I C -0.792 175.335 176.117 0.016 0.000 1.020 550 I CA -0.943 60.353 61.300 -0.007 0.000 1.088 550 I CB 1.202 39.200 38.000 -0.004 0.000 1.267 550 I HN 0.677 nan 8.210 nan 0.000 0.430 551 Y N 4.312 124.622 120.300 0.016 0.000 2.605 551 Y HA 0.809 5.359 4.550 0.000 0.000 0.343 551 Y C -3.038 172.702 175.900 -0.267 0.000 1.036 551 Y CA -3.933 54.117 58.100 -0.084 0.000 1.065 551 Y CB 0.051 38.466 38.460 -0.075 0.000 1.288 551 Y HN 0.270 nan 8.280 nan 0.000 0.481 552 P HA 0.203 nan 4.420 nan 0.000 0.268 552 P C -0.362 176.839 177.300 -0.165 0.000 1.204 552 P CA 0.166 63.175 63.100 -0.152 0.000 0.768 552 P CB 0.500 32.068 31.700 -0.221 0.000 0.842 553 A N 3.358 126.018 122.820 -0.267 0.000 2.555 553 A HA 0.251 4.571 4.320 0.000 0.000 0.233 553 A C 1.966 179.379 177.584 -0.286 0.000 1.060 553 A CA 0.610 52.514 52.037 -0.221 0.000 0.759 553 A CB -0.763 18.097 19.000 -0.233 0.000 0.995 553 A HN 0.703 nan 8.150 nan 0.000 0.506 554 G N 1.118 109.885 108.800 -0.056 0.000 2.448 554 G HA2 -0.215 3.746 3.960 0.000 0.000 0.219 554 G HA3 -0.215 3.746 3.960 0.000 0.000 0.219 554 G C 1.184 176.109 174.900 0.042 0.000 1.127 554 G CA 1.040 46.151 45.100 0.018 0.000 0.766 554 G HN 1.036 nan 8.290 nan 0.000 0.552 555 W N 0.750 122.086 121.300 0.060 0.000 2.825 555 W HA 0.208 4.868 4.660 0.000 0.000 0.243 555 W C 0.609 177.160 176.519 0.053 0.000 1.293 555 W CA -0.308 57.068 57.345 0.052 0.000 1.403 555 W CB -0.260 29.223 29.460 0.038 0.000 1.134 555 W HN 0.085 nan 8.180 nan 0.000 0.666 556 R N 2.363 122.535 120.500 -0.548 0.000 4.464 556 R HA 0.013 4.354 4.340 0.000 0.000 0.229 556 R C 1.734 177.955 176.300 -0.132 0.000 1.916 556 R CA 0.726 56.519 56.100 -0.511 0.000 1.601 556 R CB -0.447 29.424 30.300 -0.715 0.000 1.315 556 R HN 0.140 nan 8.270 nan 0.000 0.725 557 T N -2.279 112.290 114.554 0.025 0.000 3.025 557 T HA -0.136 4.215 4.350 0.000 0.000 0.270 557 T C 1.122 175.851 174.700 0.048 0.000 1.126 557 T CA 1.174 63.315 62.100 0.068 0.000 1.105 557 T CB -0.107 68.833 68.868 0.120 0.000 0.884 557 T HN 0.330 nan 8.240 nan 0.000 0.522 558 D N 0.314 120.736 120.400 0.037 0.000 2.340 558 D HA 0.133 4.774 4.640 0.000 0.000 0.220 558 D C 0.684 176.975 176.300 -0.015 0.000 1.039 558 D CA 0.109 54.125 54.000 0.027 0.000 0.866 558 D CB -0.523 40.309 40.800 0.053 0.000 0.913 558 D HN 0.315 nan 8.370 nan 0.000 0.523 559 S N -1.013 114.662 115.700 -0.042 0.000 3.490 559 S HA -0.205 4.266 4.470 0.000 0.000 0.301 559 S C 0.488 175.041 174.600 -0.079 0.000 1.233 559 S CA 0.624 58.788 58.200 -0.060 0.000 0.914 559 S CB -2.331 60.833 63.200 -0.060 0.000 1.047 559 S HN 0.770 nan 8.310 nan 0.000 0.602 560 S N 1.330 116.974 115.700 -0.093 0.000 2.596 560 S HA 0.544 5.014 4.470 0.000 0.000 0.260 560 S C 0.030 174.550 174.600 -0.134 0.000 1.336 560 S CA -0.528 57.616 58.200 -0.094 0.000 0.993 560 S CB 0.604 63.769 63.200 -0.060 0.000 0.923 560 S HN 0.395 nan 8.310 nan 0.000 0.567 561 N N 0.176 118.795 118.700 -0.136 0.000 2.328 561 N HA 0.480 5.220 4.740 0.000 0.000 0.299 561 N C -0.983 174.437 175.510 -0.150 0.000 1.179 561 N CA -0.513 52.416 53.050 -0.203 0.000 0.793 561 N CB 1.468 39.773 38.487 -0.304 0.000 1.366 561 N HN 0.800 nan 8.380 nan 0.000 0.493 562 Y N -1.348 118.852 120.300 -0.167 0.000 2.565 562 Y HA 0.567 5.117 4.550 0.001 0.000 0.325 562 Y C 0.822 176.623 175.900 -0.164 0.000 1.221 562 Y CA -1.323 56.696 58.100 -0.135 0.000 1.316 562 Y CB -0.033 38.349 38.460 -0.131 0.000 1.404 562 Y HN 0.328 nan 8.280 nan 0.000 0.527 563 S N 2.359 118.035 115.700 -0.040 0.000 2.474 563 S HA 0.251 4.721 4.470 0.000 0.000 0.276 563 S C -1.694 172.750 174.600 -0.260 0.000 1.227 563 S CA -1.351 56.728 58.200 -0.201 0.000 1.050 563 S CB 0.549 63.664 63.200 -0.141 0.000 0.939 563 S HN 0.627 nan 8.310 nan 0.000 0.490 564 P HA -0.044 nan 4.420 nan 0.000 0.220 564 P C 1.640 178.314 177.300 -1.043 0.000 1.152 564 P CA 0.564 63.174 63.100 -0.816 0.000 0.812 564 P CB -0.129 30.955 31.700 -1.026 0.000 0.792 565 V N 2.533 121.977 119.914 -0.783 0.000 2.317 565 V HA -0.274 3.846 4.120 0.000 0.000 0.251 565 V C 2.801 178.805 176.094 -0.150 0.000 1.065 565 V CA 2.534 64.640 62.300 -0.323 0.000 1.049 565 V CB -1.517 30.243 31.823 -0.105 0.000 0.651 565 V HN 0.316 nan 8.190 nan 0.000 0.450 566 E N -0.553 119.557 120.200 -0.151 0.000 2.204 566 E HA -0.245 4.106 4.350 0.000 0.000 0.195 566 E C 2.065 178.607 176.600 -0.097 0.000 0.990 566 E CA 1.457 57.809 56.400 -0.080 0.000 0.821 566 E CB -0.273 29.393 29.700 -0.057 0.000 0.750 566 E HN 0.448 nan 8.360 nan 0.000 0.477 567 M N 0.037 119.545 119.600 -0.152 0.000 2.248 567 M HA -0.020 4.460 4.480 0.000 0.000 0.265 567 M C 1.862 178.131 176.300 -0.052 0.000 1.079 567 M CA 0.870 56.083 55.300 -0.146 0.000 1.150 567 M CB -1.198 31.333 32.600 -0.114 0.000 1.366 567 M HN 0.253 nan 8.290 nan 0.000 0.433 568 W N 1.788 123.054 121.300 -0.056 0.000 2.350 568 W HA -0.122 4.538 4.660 0.000 0.000 0.289 568 W C 1.714 178.166 176.519 -0.112 0.000 1.215 568 W CA 0.807 58.100 57.345 -0.087 0.000 1.236 568 W CB -1.836 27.579 29.460 -0.075 0.000 1.130 568 W HN 0.349 nan 8.180 nan 0.000 0.541 569 N N -0.494 118.288 118.700 0.137 0.000 2.573 569 N HA -0.050 4.690 4.740 0.000 0.000 0.187 569 N C 1.753 177.279 175.510 0.026 0.000 1.107 569 N CA 1.351 54.460 53.050 0.098 0.000 0.918 569 N CB -0.614 37.926 38.487 0.088 0.000 0.966 569 N HN 0.179 nan 8.380 nan 0.000 0.448 570 G N -1.580 107.162 108.800 -0.097 0.000 3.324 570 G HA2 0.381 4.341 3.960 0.000 0.000 0.251 570 G HA3 0.381 4.341 3.960 0.000 0.000 0.251 570 G C 0.930 175.655 174.900 -0.292 0.000 1.072 570 G CA 0.149 45.106 45.100 -0.239 0.000 0.787 570 G HN 0.314 nan 8.290 nan 0.000 0.537 571 G N -0.686 108.008 108.800 -0.178 0.000 2.179 571 G HA2 -0.319 3.641 3.960 0.000 0.000 0.260 571 G HA3 -0.319 3.641 3.960 0.000 0.000 0.260 571 G C 0.543 175.363 174.900 -0.133 0.000 0.977 571 G CA 0.109 45.108 45.100 -0.168 0.000 0.641 571 G HN 0.662 nan 8.290 nan 0.000 0.533 572 C N 2.573 121.766 119.300 -0.178 0.000 2.638 572 C HA 0.376 4.836 4.460 0.000 0.000 0.410 572 C C 1.921 176.992 174.990 0.135 0.000 1.404 572 C CA 0.381 59.337 59.018 -0.103 0.000 1.651 572 C CB 0.689 28.312 27.740 -0.195 0.000 2.495 572 C HN 0.655 nan 8.230 nan 0.000 0.606 573 Q N 2.922 122.814 119.800 0.152 0.000 2.259 573 Q HA 0.134 4.474 4.340 0.000 0.000 0.201 573 Q C 0.501 176.672 176.000 0.286 0.000 0.938 573 Q CA 1.238 57.175 55.803 0.222 0.000 0.872 573 Q CB 0.058 28.908 28.738 0.187 0.000 0.971 573 Q HN 0.842 nan 8.270 nan 0.000 0.494 574 I N 3.027 123.753 120.570 0.260 0.000 2.325 574 I HA 0.177 4.347 4.170 0.000 0.000 0.285 574 I C -0.717 175.578 176.117 0.296 0.000 1.128 574 I CA -0.624 60.836 61.300 0.268 0.000 1.261 574 I CB 1.110 39.249 38.000 0.231 0.000 1.529 574 I HN -0.199 nan 8.210 nan 0.000 0.557 575 V N 4.595 124.741 119.914 0.387 0.000 2.322 575 V HA 0.339 4.460 4.120 0.000 0.000 0.258 575 V C 0.939 177.240 176.094 0.344 0.000 1.074 575 V CA -0.472 62.051 62.300 0.372 0.000 0.909 575 V CB 0.656 32.702 31.823 0.371 0.000 1.090 575 V HN 0.665 nan 8.190 nan 0.000 0.486 576 A N 7.032 130.017 122.820 0.275 0.000 2.366 576 A HA 0.746 5.067 4.320 0.000 0.000 0.272 576 A C -0.370 177.264 177.584 0.084 0.000 1.135 576 A CA -0.158 51.998 52.037 0.197 0.000 0.804 576 A CB 0.343 19.497 19.000 0.256 0.000 1.064 576 A HN 0.747 nan 8.150 nan 0.000 0.499 577 L N 1.871 123.069 121.223 -0.042 0.000 2.350 577 L HA 0.373 4.714 4.340 0.000 0.000 0.260 577 L C -0.459 176.423 176.870 0.021 0.000 1.015 577 L CA -1.085 53.642 54.840 -0.188 0.000 0.821 577 L CB 1.959 43.680 42.059 -0.563 0.000 1.370 577 L HN 0.650 nan 8.230 nan 0.000 0.416 578 N N 1.554 120.235 118.700 -0.032 0.000 2.508 578 N HA 0.073 4.814 4.740 0.000 0.000 0.253 578 N C 0.585 176.103 175.510 0.014 0.000 1.145 578 N CA -0.004 53.054 53.050 0.013 0.000 0.973 578 N CB 0.482 38.954 38.487 -0.025 0.000 1.305 578 N HN 0.433 nan 8.380 nan 0.000 0.506 579 F N 1.468 121.306 119.950 -0.186 0.000 2.449 579 F HA -0.141 4.386 4.527 0.000 0.000 0.299 579 F C 2.425 178.141 175.800 -0.140 0.000 1.092 579 F CA 0.987 58.888 58.000 -0.164 0.000 1.446 579 F CB 0.098 39.012 39.000 -0.143 0.000 1.084 579 F HN 0.516 nan 8.300 nan 0.000 0.567 580 Q N -0.589 119.217 119.800 0.010 0.000 2.360 580 Q HA 0.036 4.377 4.340 0.000 0.000 0.202 580 Q C -0.280 175.677 176.000 -0.072 0.000 0.915 580 Q CA 0.551 56.328 55.803 -0.043 0.000 0.943 580 Q CB -0.412 28.282 28.738 -0.073 0.000 1.064 580 Q HN 0.169 nan 8.270 nan 0.000 0.511 581 T N 4.219 118.717 114.554 -0.094 0.000 2.788 581 T HA 0.451 4.801 4.350 0.000 0.000 0.296 581 T C -2.620 172.000 174.700 -0.134 0.000 1.009 581 T CA -1.377 60.659 62.100 -0.105 0.000 0.949 581 T CB 1.666 70.472 68.868 -0.103 0.000 0.946 581 T HN 0.123 nan 8.240 nan 0.000 0.453 582 P HA 0.526 nan 4.420 nan 0.000 0.268 582 P C 0.207 177.412 177.300 -0.158 0.000 1.205 582 P CA 0.273 63.278 63.100 -0.159 0.000 0.771 582 P CB 0.735 32.333 31.700 -0.170 0.000 0.858 583 G N 2.395 111.095 108.800 -0.166 0.000 2.316 583 G HA2 0.189 4.150 3.960 0.000 0.000 0.296 583 G HA3 0.189 4.150 3.960 0.000 0.000 0.296 583 G C -2.784 172.062 174.900 -0.091 0.000 1.399 583 G CA -0.752 44.271 45.100 -0.128 0.000 0.833 583 G HN 0.059 nan 8.290 nan 0.000 0.565 584 P HA 0.001 nan 4.420 nan 0.000 0.219 584 P C 1.400 178.669 177.300 -0.052 0.000 1.146 584 P CA 1.290 64.389 63.100 -0.002 0.000 0.808 584 P CB 0.334 32.042 31.700 0.013 0.000 0.779 585 E N -1.323 118.811 120.200 -0.110 0.000 2.047 585 E HA -0.096 4.255 4.350 0.000 0.000 0.191 585 E C 1.976 178.498 176.600 -0.130 0.000 0.987 585 E CA 1.218 57.516 56.400 -0.169 0.000 0.799 585 E CB -0.686 28.870 29.700 -0.240 0.000 0.752 585 E HN 0.121 nan 8.360 nan 0.000 0.449 586 M N 0.740 120.250 119.600 -0.150 0.000 2.319 586 M HA -0.078 4.403 4.480 0.000 0.000 0.265 586 M C 1.065 177.357 176.300 -0.014 0.000 1.068 586 M CA 1.041 56.251 55.300 -0.150 0.000 1.118 586 M CB -0.508 31.933 32.600 -0.265 0.000 1.395 586 M HN 0.050 nan 8.290 nan 0.000 0.435 587 D N 0.338 120.737 120.400 -0.002 0.000 2.087 587 D HA -0.125 4.516 4.640 0.000 0.000 0.192 587 D C 2.186 178.563 176.300 0.128 0.000 0.993 587 D CA 1.226 55.269 54.000 0.070 0.000 0.828 587 D CB -0.271 40.586 40.800 0.095 0.000 0.968 587 D HN 0.100 nan 8.370 nan 0.000 0.448 588 V N 0.399 120.380 119.914 0.112 0.000 2.469 588 V HA -0.262 3.858 4.120 0.000 0.000 0.251 588 V C 2.115 178.371 176.094 0.271 0.000 1.064 588 V CA 1.330 63.727 62.300 0.163 0.000 1.066 588 V CB -0.535 31.312 31.823 0.040 0.000 0.667 588 V HN 0.206 nan 8.190 nan 0.000 0.461 589 Y N 0.270 120.647 120.300 0.129 0.000 2.109 589 Y HA -0.167 4.383 4.550 0.000 0.000 0.285 589 Y C 2.215 178.295 175.900 0.300 0.000 1.131 589 Y CA 1.741 60.013 58.100 0.286 0.000 1.121 589 Y CB -0.151 38.370 38.460 0.103 0.000 0.987 589 Y HN 0.110 nan 8.280 nan 0.000 0.495 590 L N -0.773 120.645 121.223 0.325 0.000 2.456 590 L HA -0.098 4.242 4.340 0.000 0.000 0.224 590 L C 2.417 179.398 176.870 0.185 0.000 1.148 590 L CA 0.840 55.826 54.840 0.243 0.000 0.825 590 L CB -1.025 41.111 42.059 0.128 0.000 0.937 590 L HN 0.379 nan 8.230 nan 0.000 0.450 591 G N -0.680 108.227 108.800 0.178 0.000 2.394 591 G HA2 -0.254 3.706 3.960 0.000 0.000 0.214 591 G HA3 -0.254 3.706 3.960 0.000 0.000 0.214 591 G C 1.798 176.793 174.900 0.158 0.000 1.176 591 G CA 0.652 45.874 45.100 0.203 0.000 0.786 591 G HN 0.429 nan 8.290 nan 0.000 0.533 592 C N 0.286 119.578 119.300 -0.013 0.000 2.393 592 C HA -0.026 4.435 4.460 0.000 0.000 0.276 592 C C 2.367 177.105 174.990 -0.420 0.000 1.215 592 C CA 0.798 59.598 59.018 -0.363 0.000 1.743 592 C CB -1.175 26.040 27.740 -0.875 0.000 2.044 592 C HN 0.323 nan 8.230 nan 0.000 0.464 593 F N 0.889 120.806 119.950 -0.055 0.000 2.804 593 F HA 0.154 4.681 4.527 0.000 0.000 0.303 593 F C 2.108 177.942 175.800 0.056 0.000 1.154 593 F CA 0.799 58.784 58.000 -0.025 0.000 1.401 593 F CB -0.642 38.333 39.000 -0.041 0.000 1.106 593 F HN 0.378 nan 8.300 nan 0.000 0.568 594 Q N 0.345 120.260 119.800 0.191 0.000 2.354 594 Q HA -0.040 4.300 4.340 0.000 0.000 0.203 594 Q C 0.757 176.879 176.000 0.203 0.000 0.933 594 Q CA 0.486 56.346 55.803 0.095 0.000 0.901 594 Q CB -0.120 28.561 28.738 -0.095 0.000 1.007 594 Q HN 0.207 nan 8.270 nan 0.000 0.495 595 D N 0.253 120.866 120.400 0.355 0.000 2.369 595 D HA -0.054 4.587 4.640 0.000 0.000 0.241 595 D C -0.048 176.436 176.300 0.306 0.000 1.271 595 D CA 0.386 54.646 54.000 0.434 0.000 0.942 595 D CB 0.341 41.301 40.800 0.267 0.000 1.129 595 D HN 0.284 nan 8.370 nan 0.000 0.476 596 N N -0.108 118.801 118.700 0.348 0.000 2.708 596 N HA -0.242 4.498 4.740 0.000 0.000 0.251 596 N C 0.729 176.356 175.510 0.195 0.000 1.017 596 N CA 2.042 55.177 53.050 0.142 0.000 0.742 596 N CB -1.188 37.242 38.487 -0.095 0.000 0.943 596 N HN 0.706 nan 8.380 nan 0.000 0.539 597 G N -1.949 107.012 108.800 0.269 0.000 2.184 597 G HA2 -0.096 3.864 3.960 0.000 0.000 0.264 597 G HA3 -0.096 3.864 3.960 0.000 0.000 0.264 597 G C 1.355 176.363 174.900 0.180 0.000 0.975 597 G CA 0.896 46.123 45.100 0.212 0.000 0.642 597 G HN 1.763 nan 8.290 nan 0.000 0.536 598 G N -1.367 107.547 108.800 0.191 0.000 2.198 598 G HA2 -0.111 3.849 3.960 0.000 0.000 0.260 598 G HA3 -0.111 3.849 3.960 0.000 0.000 0.260 598 G C 1.937 176.955 174.900 0.196 0.000 1.025 598 G CA 1.683 46.896 45.100 0.187 0.000 0.769 598 G HN 2.290 nan 8.290 nan 0.000 0.507 599 C N -2.021 117.413 119.300 0.222 0.000 2.481 599 C HA 0.558 5.019 4.460 0.000 0.000 0.275 599 C C 2.435 177.580 174.990 0.259 0.000 1.419 599 C CA 0.993 60.186 59.018 0.291 0.000 1.773 599 C CB -0.704 27.280 27.740 0.407 0.000 1.862 599 C HN 2.340 nan 8.230 nan 0.000 0.530 600 G N -1.199 107.687 108.800 0.143 0.000 2.218 600 G HA2 -0.165 3.795 3.960 0.000 0.000 0.216 600 G HA3 -0.165 3.795 3.960 0.000 0.000 0.216 600 G C -0.375 174.316 174.900 -0.348 0.000 0.994 600 G CA 0.242 45.253 45.100 -0.148 0.000 0.637 600 G HN 0.612 nan 8.290 nan 0.000 0.505 601 Y N 0.026 120.351 120.300 0.041 0.000 2.331 601 Y HA 0.636 5.187 4.550 0.000 0.000 0.334 601 Y C -0.021 175.947 175.900 0.112 0.000 0.960 601 Y CA -0.931 57.182 58.100 0.022 0.000 1.130 601 Y CB 2.447 40.702 38.460 -0.342 0.000 1.164 601 Y HN 0.094 nan 8.280 nan 0.000 0.458 602 V N 5.167 125.268 119.914 0.311 0.000 2.487 602 V HA 0.279 4.400 4.120 0.000 0.000 0.298 602 V C -0.543 175.604 176.094 0.089 0.000 1.028 602 V CA -0.984 61.384 62.300 0.112 0.000 0.860 602 V CB 1.921 33.668 31.823 -0.127 0.000 0.991 602 V HN 0.580 nan 8.190 nan 0.000 0.427 603 L N 5.435 126.661 121.223 0.004 0.000 2.462 603 L HA 0.269 4.610 4.340 0.000 0.000 0.272 603 L C 0.577 177.302 176.870 -0.241 0.000 1.166 603 L CA 0.573 55.266 54.840 -0.245 0.000 0.880 603 L CB 0.201 42.104 42.059 -0.261 0.000 1.142 603 L HN 0.571 nan 8.230 nan 0.000 0.473 604 K N 6.074 126.297 120.400 -0.294 0.000 2.319 604 K HA 0.196 4.516 4.320 0.000 0.000 0.265 604 K C -2.212 174.258 176.600 -0.217 0.000 1.000 604 K CA -1.181 54.949 56.287 -0.262 0.000 0.943 604 K CB 0.228 32.553 32.500 -0.292 0.000 0.950 604 K HN 0.462 nan 8.250 nan 0.000 0.485 605 P HA -0.073 nan 4.420 nan 0.000 0.268 605 P C -0.333 176.952 177.300 -0.025 0.000 1.208 605 P CA 0.107 63.204 63.100 -0.005 0.000 0.777 605 P CB 0.740 32.577 31.700 0.228 0.000 0.875 606 A N 3.182 126.053 122.820 0.086 0.000 1.908 606 A HA -0.222 4.098 4.320 0.000 0.000 0.218 606 A C 1.689 179.337 177.584 0.107 0.000 1.181 606 A CA 1.936 54.001 52.037 0.046 0.000 0.627 606 A CB -1.745 17.283 19.000 0.048 0.000 0.818 606 A HN 0.674 nan 8.150 nan 0.000 0.445 607 F N -0.622 119.285 119.950 -0.072 0.000 2.408 607 F HA 0.044 4.571 4.527 0.000 0.000 0.300 607 F C 1.280 177.021 175.800 -0.097 0.000 1.090 607 F CA 0.332 58.328 58.000 -0.007 0.000 1.427 607 F CB -1.087 38.007 39.000 0.156 0.000 1.070 607 F HN 0.124 nan 8.300 nan 0.000 0.549 608 L N -0.139 120.763 121.223 -0.535 0.000 2.607 608 L HA 0.235 4.576 4.340 0.000 0.000 0.228 608 L C 1.599 178.253 176.870 -0.360 0.000 1.123 608 L CA 0.173 54.699 54.840 -0.523 0.000 0.890 608 L CB -0.179 41.498 42.059 -0.637 0.000 1.103 608 L HN 0.080 nan 8.230 nan 0.000 0.468 609 R N -0.893 119.414 120.500 -0.322 0.000 2.472 609 R HA 0.087 4.428 4.340 0.000 0.000 0.279 609 R C -0.214 175.936 176.300 -0.250 0.000 0.953 609 R CA -0.160 55.662 56.100 -0.463 0.000 1.088 609 R CB 0.413 30.385 30.300 -0.547 0.000 1.197 609 R HN 0.009 nan 8.270 nan 0.000 0.536 610 D N 1.790 122.119 120.400 -0.118 0.000 2.396 610 D HA 0.118 4.758 4.640 0.000 0.000 0.225 610 D C -1.604 174.693 176.300 -0.005 0.000 1.121 610 D CA -2.629 51.358 54.000 -0.021 0.000 0.853 610 D CB 1.585 42.416 40.800 0.053 0.000 1.043 610 D HN -0.118 nan 8.370 nan 0.000 0.500 611 P HA -0.090 nan 4.420 nan 0.000 0.229 611 P C 0.183 177.507 177.300 0.040 0.000 1.150 611 P CA 0.752 63.867 63.100 0.024 0.000 0.765 611 P CB 0.363 32.088 31.700 0.043 0.000 0.783 612 N N -1.288 117.443 118.700 0.052 0.000 2.177 612 N HA 0.045 4.785 4.740 0.000 0.000 0.218 612 N C -0.028 175.542 175.510 0.099 0.000 1.182 612 N CA 0.237 53.329 53.050 0.069 0.000 0.882 612 N CB 0.222 38.750 38.487 0.068 0.000 1.052 612 N HN 0.133 nan 8.380 nan 0.000 0.519 613 T N 0.591 115.211 114.554 0.111 0.000 2.937 613 T HA 0.021 4.371 4.350 0.000 0.000 0.316 613 T C 1.481 176.272 174.700 0.153 0.000 1.079 613 T CA 0.216 62.430 62.100 0.189 0.000 1.131 613 T CB 0.795 69.763 68.868 0.167 0.000 1.000 613 T HN 0.198 nan 8.240 nan 0.000 0.549 614 T N -0.981 113.709 114.554 0.227 0.000 3.145 614 T HA 0.229 4.579 4.350 0.000 0.000 0.255 614 T C 0.175 174.882 174.700 0.012 0.000 1.039 614 T CA -0.714 61.470 62.100 0.139 0.000 0.928 614 T CB -0.490 68.503 68.868 0.209 0.000 1.029 614 T HN 0.486 nan 8.240 nan 0.000 0.554 615 F N 3.315 123.079 119.950 -0.309 0.000 2.563 615 F HA 0.444 4.971 4.527 0.000 0.000 0.363 615 F C 0.241 175.793 175.800 -0.413 0.000 1.123 615 F CA -0.488 57.075 58.000 -0.729 0.000 1.307 615 F CB 0.440 38.929 39.000 -0.852 0.000 1.115 615 F HN 0.160 nan 8.300 nan 0.000 0.592 616 N N 3.112 120.965 118.700 -1.411 0.000 2.747 616 N HA 0.008 4.749 4.740 0.000 0.000 0.262 616 N C 0.363 175.165 175.510 -1.178 0.000 1.261 616 N CA 0.404 52.832 53.050 -1.036 0.000 0.809 616 N CB 1.228 39.433 38.487 -0.471 0.000 1.450 616 N HN 0.685 nan 8.380 nan 0.000 0.560 617 S N 3.039 117.912 115.700 -1.378 0.000 2.423 617 S HA -0.176 4.294 4.470 0.000 0.000 0.238 617 S C 1.412 175.848 174.600 -0.273 0.000 1.028 617 S CA 1.097 58.936 58.200 -0.601 0.000 1.000 617 S CB -0.028 63.094 63.200 -0.130 0.000 0.797 617 S HN 0.630 nan 8.310 nan 0.000 0.487 618 R N 0.818 121.154 120.500 -0.273 0.000 2.275 618 R HA 0.370 4.710 4.340 0.000 0.000 0.199 618 R C 0.568 176.799 176.300 -0.117 0.000 0.989 618 R CA 0.728 56.743 56.100 -0.141 0.000 1.016 618 R CB 0.129 30.360 30.300 -0.115 0.000 0.918 618 R HN 0.459 nan 8.270 nan 0.000 0.473 619 A N 1.145 123.862 122.820 -0.172 0.000 3.082 619 A HA 0.309 4.630 4.320 0.000 0.000 0.328 619 A C -0.632 176.889 177.584 -0.105 0.000 1.089 619 A CA -0.616 51.355 52.037 -0.110 0.000 0.802 619 A CB 0.307 19.242 19.000 -0.108 0.000 1.138 619 A HN 0.083 nan 8.150 nan 0.000 0.474 620 L N 2.377 123.588 121.223 -0.019 0.000 2.418 620 L HA 0.335 4.676 4.340 0.000 0.000 0.274 620 L C 1.129 178.046 176.870 0.078 0.000 1.135 620 L CA 0.196 55.102 54.840 0.110 0.000 0.870 620 L CB 0.812 43.064 42.059 0.321 0.000 1.154 620 L HN 0.735 nan 8.230 nan 0.000 0.462 621 T N 0.523 115.204 114.554 0.212 0.000 2.927 621 T HA 0.378 4.728 4.350 0.000 0.000 0.286 621 T C -0.316 174.465 174.700 0.134 0.000 1.040 621 T CA -0.830 61.329 62.100 0.099 0.000 1.010 621 T CB 1.829 70.791 68.868 0.156 0.000 1.177 621 T HN 0.493 nan 8.240 nan 0.000 0.546 622 Q N -0.309 119.409 119.800 -0.137 0.000 2.394 622 Q HA 0.565 4.906 4.340 0.000 0.000 0.248 622 Q C 0.116 175.894 176.000 -0.369 0.000 0.992 622 Q CA 0.986 56.600 55.803 -0.315 0.000 0.888 622 Q CB 0.175 28.722 28.738 -0.318 0.000 1.257 622 Q HN 1.257 nan 8.270 nan 0.000 0.462 623 G N 1.963 110.277 108.800 -0.810 0.000 2.316 623 G HA2 0.158 4.118 3.960 0.000 0.000 0.296 623 G HA3 0.158 4.118 3.960 0.000 0.000 0.296 623 G C -2.540 171.565 174.900 -1.326 0.000 1.399 623 G CA -0.395 43.873 45.100 -1.388 0.000 0.833 623 G HN 0.470 nan 8.290 nan 0.000 0.565 624 P HA -0.121 nan 4.420 nan 0.000 0.218 624 P C 1.516 178.449 177.300 -0.612 0.000 1.146 624 P CA 2.235 64.993 63.100 -0.572 0.000 0.820 624 P CB -0.157 31.349 31.700 -0.323 0.000 0.778 625 W N -2.083 118.922 121.300 -0.492 0.000 2.519 625 W HA 0.076 4.736 4.660 0.000 0.000 0.266 625 W C 1.002 177.350 176.519 -0.286 0.000 1.253 625 W CA -0.669 56.179 57.345 -0.828 0.000 1.274 625 W CB -1.563 27.308 29.460 -0.982 0.000 1.114 625 W HN -0.114 nan 8.180 nan 0.000 0.596 626 W N 4.431 125.410 121.300 -0.535 0.000 2.433 626 W HA 0.389 5.050 4.660 0.001 0.000 0.331 626 W C -0.529 175.848 176.519 -0.235 0.000 1.110 626 W CA -0.635 56.580 57.345 -0.216 0.000 1.450 626 W CB 0.214 29.539 29.460 -0.225 0.000 1.348 626 W HN -0.076 nan 8.180 nan 0.000 0.415 627 R N 5.883 126.114 120.500 -0.448 0.000 2.754 627 R HA 0.202 4.542 4.340 0.000 0.000 0.255 627 R C -2.610 173.430 176.300 -0.433 0.000 1.723 627 R CA -1.648 54.243 56.100 -0.349 0.000 1.596 627 R CB 0.969 31.119 30.300 -0.251 0.000 1.424 627 R HN 0.138 nan 8.270 nan 0.000 0.662 628 P HA -0.079 nan 4.420 nan 0.000 0.264 628 P C -0.340 176.818 177.300 -0.236 0.000 1.183 628 P CA 0.669 63.500 63.100 -0.449 0.000 0.763 628 P CB 0.709 32.182 31.700 -0.379 0.000 0.807 629 E N 2.440 122.524 120.200 -0.193 0.000 2.369 629 E HA 0.436 4.786 4.350 0.000 0.000 0.270 629 E C -0.466 176.160 176.600 0.044 0.000 0.909 629 E CA -0.904 55.484 56.400 -0.020 0.000 0.775 629 E CB 2.271 32.050 29.700 0.132 0.000 1.270 629 E HN 0.297 nan 8.360 nan 0.000 0.445 630 R N 1.107 121.662 120.500 0.092 0.000 2.310 630 R HA 0.407 4.748 4.340 0.000 0.000 0.324 630 R C -0.854 175.533 176.300 0.145 0.000 0.955 630 R CA -0.690 55.466 56.100 0.093 0.000 0.830 630 R CB 0.819 31.141 30.300 0.037 0.000 1.154 630 R HN 0.269 nan 8.270 nan 0.000 0.458 631 L N 3.398 124.750 121.223 0.215 0.000 2.329 631 L HA 0.548 4.888 4.340 0.000 0.000 0.279 631 L C -0.906 176.048 176.870 0.140 0.000 1.014 631 L CA -0.212 54.737 54.840 0.182 0.000 0.814 631 L CB 1.389 43.618 42.059 0.283 0.000 1.257 631 L HN 0.523 nan 8.230 nan 0.000 0.424 632 R N 3.952 124.478 120.500 0.043 0.000 2.534 632 R HA 0.788 5.128 4.340 0.000 0.000 0.301 632 R C -1.586 174.722 176.300 0.014 0.000 0.961 632 R CA -0.877 55.230 56.100 0.011 0.000 0.871 632 R CB 2.290 32.560 30.300 -0.049 0.000 1.170 632 R HN 0.499 nan 8.270 nan 0.000 0.446 633 V N 3.059 123.011 119.914 0.063 0.000 2.531 633 V HA 0.466 4.586 4.120 0.000 0.000 0.301 633 V C -0.226 175.860 176.094 -0.014 0.000 1.034 633 V CA -0.864 61.484 62.300 0.080 0.000 0.865 633 V CB 1.949 33.923 31.823 0.253 0.000 0.995 633 V HN 0.623 nan 8.190 nan 0.000 0.424 634 R N 4.354 124.812 120.500 -0.070 0.000 2.343 634 R HA 0.550 4.890 4.340 0.000 0.000 0.320 634 R C -1.259 174.990 176.300 -0.086 0.000 0.956 634 R CA -0.736 55.288 56.100 -0.125 0.000 0.836 634 R CB 1.357 31.590 30.300 -0.113 0.000 1.151 634 R HN 0.536 nan 8.270 nan 0.000 0.450 635 I N 6.890 127.405 120.570 -0.092 0.000 2.301 635 I HA 0.087 4.257 4.170 0.000 0.000 0.292 635 I C 1.298 177.467 176.117 0.087 0.000 1.046 635 I CA 0.054 61.347 61.300 -0.011 0.000 1.282 635 I CB 0.948 38.909 38.000 -0.065 0.000 1.409 635 I HN 0.704 nan 8.210 nan 0.000 0.484 636 I N 4.095 124.741 120.570 0.126 0.000 2.368 636 I HA -0.048 4.122 4.170 0.000 0.000 0.238 636 I C 1.007 177.321 176.117 0.329 0.000 1.076 636 I CA 0.807 62.233 61.300 0.210 0.000 1.397 636 I CB 0.131 38.277 38.000 0.243 0.000 1.141 636 I HN 0.702 nan 8.210 nan 0.000 0.430 637 S N -0.823 115.103 115.700 0.378 0.000 2.671 637 S HA 0.754 5.225 4.470 0.000 0.000 0.277 637 S C -0.524 174.327 174.600 0.419 0.000 1.165 637 S CA -0.562 57.847 58.200 0.350 0.000 0.822 637 S CB 1.583 64.876 63.200 0.154 0.000 1.150 637 S HN 0.235 nan 8.310 nan 0.000 0.479 638 G N -0.236 108.760 108.800 0.326 0.000 2.482 638 G HA2 0.617 4.577 3.960 0.000 0.000 0.317 638 G HA3 0.617 4.577 3.960 0.000 0.000 0.317 638 G C -1.841 173.071 174.900 0.020 0.000 1.241 638 G CA -0.753 44.516 45.100 0.280 0.000 0.967 638 G HN 0.538 nan 8.290 nan 0.000 0.482 639 Q N 0.670 120.456 119.800 -0.023 0.000 2.327 639 Q HA 0.426 4.767 4.340 0.000 0.000 0.270 639 Q C -0.259 175.652 176.000 -0.149 0.000 1.022 639 Q CA -0.486 55.208 55.803 -0.182 0.000 0.773 639 Q CB 1.836 30.457 28.738 -0.195 0.000 1.251 639 Q HN 0.672 nan 8.270 nan 0.000 0.457 640 Q N 1.590 121.287 119.800 -0.171 0.000 2.452 640 Q HA -0.218 4.122 4.340 0.000 0.000 0.318 640 Q C -0.775 175.201 176.000 -0.040 0.000 1.386 640 Q CA 0.163 55.948 55.803 -0.030 0.000 0.872 640 Q CB -1.629 27.098 28.738 -0.018 0.000 1.151 640 Q HN 0.623 nan 8.270 nan 0.000 0.417 641 L N 1.630 122.839 121.223 -0.023 0.000 2.540 641 L HA 0.127 4.467 4.340 0.000 0.000 0.276 641 L C -1.415 175.407 176.870 -0.081 0.000 1.212 641 L CA -1.533 53.284 54.840 -0.038 0.000 0.893 641 L CB -0.307 41.767 42.059 0.024 0.000 1.138 641 L HN 0.027 nan 8.230 nan 0.000 0.491 642 P HA -0.005 nan 4.420 nan 0.000 0.264 642 P C -0.694 176.551 177.300 -0.090 0.000 1.193 642 P CA -0.364 62.590 63.100 -0.242 0.000 0.763 642 P CB 0.462 31.806 31.700 -0.594 0.000 0.810 643 K N 4.111 124.487 120.400 -0.041 0.000 2.315 643 K HA 0.224 4.545 4.320 0.000 0.000 0.291 643 K C -1.014 175.597 176.600 0.018 0.000 1.074 643 K CA -0.239 56.050 56.287 0.002 0.000 0.936 643 K CB -0.678 31.828 32.500 0.010 0.000 1.049 643 K HN 0.181 nan 8.250 nan 0.000 0.471 644 V N 5.142 125.077 119.914 0.036 0.000 2.547 644 V HA 0.258 4.378 4.120 0.000 0.000 0.299 644 V C 0.048 176.180 176.094 0.063 0.000 1.040 644 V CA -1.020 61.320 62.300 0.067 0.000 0.913 644 V CB 1.389 33.274 31.823 0.103 0.000 0.992 644 V HN 0.955 nan 8.190 nan 0.000 0.449 645 N N 3.263 122.002 118.700 0.065 0.000 2.699 645 N HA -0.187 4.554 4.740 0.000 0.000 0.256 645 N C -0.345 175.189 175.510 0.039 0.000 0.993 645 N CA 1.033 54.115 53.050 0.053 0.000 0.759 645 N CB -0.511 38.011 38.487 0.059 0.000 0.906 645 N HN 0.726 nan 8.380 nan 0.000 0.541 646 K N 0.164 120.584 120.400 0.034 0.000 2.570 646 K HA 0.186 4.507 4.320 0.000 0.000 0.256 646 K C 0.123 176.736 176.600 0.023 0.000 0.939 646 K CA -0.510 55.793 56.287 0.026 0.000 0.833 646 K CB 0.991 33.506 32.500 0.025 0.000 1.318 646 K HN -0.015 nan 8.250 nan 0.000 0.433 647 N N 1.814 120.524 118.700 0.018 0.000 2.402 647 N HA -0.025 4.715 4.740 0.000 0.000 0.174 647 N C -0.079 175.436 175.510 0.010 0.000 1.027 647 N CA 0.507 53.565 53.050 0.014 0.000 0.891 647 N CB 0.502 38.996 38.487 0.012 0.000 1.016 647 N HN 0.490 nan 8.380 nan 0.000 0.439 648 K N 1.667 122.072 120.400 0.009 0.000 2.117 648 K HA 0.160 4.481 4.320 0.000 0.000 0.240 648 K C 0.196 176.800 176.600 0.006 0.000 1.031 648 K CA -0.601 55.689 56.287 0.005 0.000 0.909 648 K CB 0.050 32.553 32.500 0.005 0.000 1.097 648 K HN -0.084 nan 8.250 nan 0.000 0.492 649 N N -0.047 118.654 118.700 0.001 0.000 2.738 649 N HA -0.098 4.642 4.740 0.000 0.000 0.220 649 N C -0.749 174.767 175.510 0.010 0.000 1.546 649 N CA 0.213 53.264 53.050 0.001 0.000 0.924 649 N CB -0.095 38.388 38.487 -0.006 0.000 1.271 649 N HN 0.389 nan 8.380 nan 0.000 0.504 650 S N -0.278 115.431 115.700 0.015 0.000 2.585 650 S HA 0.512 4.982 4.470 0.000 0.000 0.277 650 S C -0.215 174.400 174.600 0.025 0.000 1.241 650 S CA -0.857 57.356 58.200 0.022 0.000 1.041 650 S CB 0.497 63.712 63.200 0.025 0.000 0.987 650 S HN 0.233 nan 8.310 nan 0.000 0.512 651 I N 3.674 124.263 120.570 0.032 0.000 2.530 651 I HA 0.323 4.494 4.170 0.000 0.000 0.297 651 I C -0.157 175.987 176.117 0.045 0.000 1.011 651 I CA -0.863 60.458 61.300 0.034 0.000 1.107 651 I CB 1.959 39.977 38.000 0.029 0.000 1.285 651 I HN 0.357 nan 8.210 nan 0.000 0.436 652 V N 3.746 123.689 119.914 0.048 0.000 2.872 652 V HA 0.045 4.166 4.120 0.000 0.000 0.307 652 V C -0.224 175.918 176.094 0.081 0.000 1.072 652 V CA -0.137 62.202 62.300 0.066 0.000 1.148 652 V CB 0.167 32.028 31.823 0.063 0.000 0.954 652 V HN 0.625 nan 8.190 nan 0.000 0.490 653 D N 3.536 124.008 120.400 0.120 0.000 2.517 653 D HA 0.309 4.950 4.640 0.000 0.000 0.301 653 D C -2.594 173.828 176.300 0.203 0.000 1.202 653 D CA -1.258 52.831 54.000 0.148 0.000 0.910 653 D CB 0.910 41.834 40.800 0.205 0.000 1.021 653 D HN 0.427 nan 8.370 nan 0.000 0.499 654 P HA 0.120 nan 4.420 nan 0.000 0.271 654 P C -0.182 177.436 177.300 0.529 0.000 1.216 654 P CA -0.257 63.048 63.100 0.341 0.000 0.776 654 P CB 1.395 33.337 31.700 0.403 0.000 0.881 655 K N 1.090 121.715 120.400 0.375 0.000 2.509 655 K HA 0.630 4.950 4.320 0.000 0.000 0.266 655 K C -1.940 174.605 176.600 -0.091 0.000 0.987 655 K CA -1.023 55.405 56.287 0.236 0.000 0.868 655 K CB 1.805 34.418 32.500 0.189 0.000 1.421 655 K HN 0.173 nan 8.250 nan 0.000 0.444 656 V N 2.512 122.234 119.914 -0.320 0.000 2.709 656 V HA 0.488 4.609 4.120 0.000 0.000 0.308 656 V C -0.490 175.519 176.094 -0.142 0.000 1.062 656 V CA -0.895 61.223 62.300 -0.303 0.000 0.901 656 V CB 1.724 33.214 31.823 -0.555 0.000 1.003 656 V HN 0.657 nan 8.190 nan 0.000 0.425 657 I N 3.940 124.453 120.570 -0.095 0.000 2.474 657 I HA 0.574 4.744 4.170 0.000 0.000 0.294 657 I C -0.781 175.252 176.117 -0.140 0.000 1.005 657 I CA -0.863 60.367 61.300 -0.117 0.000 1.113 657 I CB 2.052 40.005 38.000 -0.079 0.000 1.289 657 I HN 0.242 nan 8.210 nan 0.000 0.436 658 V N 5.817 125.592 119.914 -0.233 0.000 2.444 658 V HA 0.356 4.476 4.120 0.000 0.000 0.294 658 V C -0.318 175.537 176.094 -0.398 0.000 1.022 658 V CA -0.533 61.578 62.300 -0.316 0.000 0.850 658 V CB 1.910 33.660 31.823 -0.122 0.000 0.992 658 V HN 0.755 nan 8.190 nan 0.000 0.426 659 E N 5.167 125.053 120.200 -0.523 0.000 2.256 659 E HA 0.613 4.963 4.350 0.000 0.000 0.267 659 E C -1.358 174.771 176.600 -0.786 0.000 0.892 659 E CA -0.913 55.129 56.400 -0.596 0.000 0.775 659 E CB 2.677 32.052 29.700 -0.541 0.000 1.207 659 E HN 0.334 nan 8.360 nan 0.000 0.420 660 I N 2.744 122.870 120.570 -0.740 0.000 2.378 660 I HA 0.267 4.438 4.170 0.000 0.000 0.291 660 I C -0.478 175.398 176.117 -0.401 0.000 0.992 660 I CA -0.690 60.268 61.300 -0.571 0.000 1.154 660 I CB 0.715 38.414 38.000 -0.502 0.000 1.315 660 I HN 0.494 nan 8.210 nan 0.000 0.448 661 H N 4.208 123.214 119.070 -0.106 0.000 2.489 661 H HA 0.819 5.375 4.556 0.000 0.000 0.343 661 H C 0.465 175.784 175.328 -0.015 0.000 1.086 661 H CA -0.552 55.468 56.048 -0.045 0.000 1.198 661 H CB 2.170 31.927 29.762 -0.008 0.000 1.490 661 H HN 0.859 nan 8.280 nan 0.000 0.504 662 G N 0.857 109.729 108.800 0.120 0.000 2.498 662 G HA2 0.221 4.182 3.960 0.000 0.000 0.181 662 G HA3 0.221 4.182 3.960 0.000 0.000 0.181 662 G C -0.566 174.374 174.900 0.066 0.000 1.169 662 G CA -0.138 45.008 45.100 0.076 0.000 0.992 662 G HN 0.547 nan 8.290 nan 0.000 0.490 663 V N 0.621 120.571 119.914 0.060 0.000 3.139 663 V HA 0.516 4.636 4.120 0.000 0.000 0.307 663 V C 1.931 178.053 176.094 0.047 0.000 1.095 663 V CA 1.131 63.476 62.300 0.075 0.000 1.160 663 V CB 0.464 32.359 31.823 0.120 0.000 1.003 663 V HN 1.871 nan 8.190 nan 0.000 0.489 664 G N 2.675 111.499 108.800 0.040 0.000 2.513 664 G HA2 -0.328 3.632 3.960 0.000 0.000 0.219 664 G HA3 -0.328 3.632 3.960 0.000 0.000 0.219 664 G C 1.467 176.388 174.900 0.036 0.000 1.160 664 G CA 1.197 46.316 45.100 0.031 0.000 0.767 664 G HN 1.107 nan 8.290 nan 0.000 0.571 665 R N 0.032 120.562 120.500 0.049 0.000 2.237 665 R HA 0.017 4.358 4.340 0.000 0.000 0.219 665 R C 1.094 177.411 176.300 0.028 0.000 1.080 665 R CA 1.611 57.743 56.100 0.053 0.000 0.995 665 R CB -0.174 30.183 30.300 0.095 0.000 0.875 665 R HN 0.159 nan 8.270 nan 0.000 0.462 666 D N 1.124 121.527 120.400 0.005 0.000 2.346 666 D HA -0.035 4.605 4.640 0.000 0.000 0.206 666 D C 0.249 176.531 176.300 -0.030 0.000 1.001 666 D CA 0.991 54.971 54.000 -0.033 0.000 0.871 666 D CB 0.289 41.039 40.800 -0.084 0.000 0.943 666 D HN 0.366 nan 8.370 nan 0.000 0.518 667 T N -0.777 113.773 114.554 -0.005 0.000 2.902 667 T HA 0.482 4.832 4.350 0.000 0.000 0.301 667 T C 0.494 175.183 174.700 -0.018 0.000 1.012 667 T CA -0.299 61.796 62.100 -0.009 0.000 1.151 667 T CB 1.492 70.383 68.868 0.038 0.000 0.946 667 T HN 0.048 nan 8.240 nan 0.000 0.542 668 G N 0.595 109.350 108.800 -0.075 0.000 2.677 668 G HA2 0.584 4.544 3.960 0.000 0.000 0.291 668 G HA3 0.584 4.544 3.960 0.000 0.000 0.291 668 G C -1.381 173.458 174.900 -0.102 0.000 1.435 668 G CA -0.696 44.389 45.100 -0.024 0.000 0.826 668 G HN 1.003 nan 8.290 nan 0.000 0.491 669 S N -0.567 115.118 115.700 -0.025 0.000 2.533 669 S HA 0.843 5.314 4.470 0.000 0.000 0.271 669 S C -1.159 173.386 174.600 -0.091 0.000 1.143 669 S CA -0.829 57.316 58.200 -0.092 0.000 0.891 669 S CB 1.561 64.709 63.200 -0.087 0.000 1.105 669 S HN 0.687 nan 8.310 nan 0.000 0.468 670 R N 1.970 122.324 120.500 -0.243 0.000 2.739 670 R HA 0.467 4.807 4.340 0.000 0.000 0.271 670 R C -1.349 174.593 176.300 -0.596 0.000 1.010 670 R CA -0.688 55.116 56.100 -0.493 0.000 0.897 670 R CB 1.881 31.608 30.300 -0.956 0.000 1.236 670 R HN 0.903 nan 8.270 nan 0.000 0.466 671 Q N -0.397 119.153 119.800 -0.417 0.000 2.421 671 Q HA 0.528 4.868 4.340 0.000 0.000 0.280 671 Q C -0.594 175.483 176.000 0.128 0.000 1.085 671 Q CA -0.817 54.886 55.803 -0.168 0.000 0.807 671 Q CB 2.216 30.915 28.738 -0.065 0.000 1.405 671 Q HN 0.644 nan 8.270 nan 0.000 0.419 672 T N -1.006 113.659 114.554 0.184 0.000 2.810 672 T HA 0.732 5.082 4.350 0.000 0.000 0.277 672 T C 0.515 175.322 174.700 0.178 0.000 0.973 672 T CA -0.078 62.145 62.100 0.206 0.000 0.949 672 T CB 0.920 69.721 68.868 -0.112 0.000 1.075 672 T HN 0.794 nan 8.240 nan 0.000 0.537 673 A N 0.260 123.239 122.820 0.266 0.000 2.249 673 A HA 0.634 4.954 4.320 0.000 0.000 0.281 673 A C 0.035 177.801 177.584 0.303 0.000 1.127 673 A CA -0.805 51.358 52.037 0.211 0.000 0.833 673 A CB 0.089 19.194 19.000 0.176 0.000 1.140 673 A HN 0.812 nan 8.150 nan 0.000 0.502 674 V N 0.943 120.945 119.914 0.148 0.000 2.481 674 V HA 0.290 4.410 4.120 0.000 0.000 0.286 674 V C -0.499 175.643 176.094 0.081 0.000 1.042 674 V CA -0.455 61.935 62.300 0.150 0.000 0.928 674 V CB 1.223 33.010 31.823 -0.061 0.000 0.986 674 V HN 0.575 nan 8.190 nan 0.000 0.462 675 I N 4.036 124.643 120.570 0.063 0.000 2.336 675 I HA 0.336 4.506 4.170 0.000 0.000 0.292 675 I C 0.682 176.776 176.117 -0.039 0.000 0.991 675 I CA -0.235 60.996 61.300 -0.115 0.000 1.227 675 I CB 1.679 39.453 38.000 -0.377 0.000 1.366 675 I HN 0.807 nan 8.210 nan 0.000 0.466 676 T N 3.077 117.610 114.554 -0.035 0.000 2.889 676 T HA 0.310 4.661 4.350 0.000 0.000 0.291 676 T C 0.407 175.105 174.700 -0.003 0.000 0.995 676 T CA -0.517 61.589 62.100 0.009 0.000 1.092 676 T CB 0.458 69.343 68.868 0.029 0.000 0.954 676 T HN 0.506 nan 8.240 nan 0.000 0.506 677 N N 1.894 120.608 118.700 0.024 0.000 2.667 677 N HA -0.192 4.548 4.740 0.000 0.000 0.263 677 N C -0.920 174.578 175.510 -0.021 0.000 1.038 677 N CA 0.878 53.937 53.050 0.015 0.000 0.749 677 N CB -1.358 37.144 38.487 0.024 0.000 0.892 677 N HN 0.863 nan 8.380 nan 0.000 0.546 678 N N -0.912 117.771 118.700 -0.028 0.000 2.752 678 N HA 0.390 5.131 4.740 0.000 0.000 0.268 678 N C 0.438 175.926 175.510 -0.035 0.000 1.190 678 N CA 0.208 53.222 53.050 -0.059 0.000 0.897 678 N CB 0.755 39.156 38.487 -0.144 0.000 1.515 678 N HN 0.179 nan 8.380 nan 0.000 0.567 679 G N 1.078 109.890 108.800 0.019 0.000 3.104 679 G HA2 0.015 3.975 3.960 0.000 0.000 0.237 679 G HA3 0.015 3.975 3.960 0.000 0.000 0.237 679 G C 0.667 175.600 174.900 0.055 0.000 1.035 679 G CA -0.094 45.028 45.100 0.036 0.000 0.844 679 G HN 0.461 nan 8.290 nan 0.000 0.531 680 F N 2.905 122.801 119.950 -0.090 0.000 2.234 680 F HA 0.142 4.670 4.527 0.001 0.000 0.296 680 F C 0.814 176.551 175.800 -0.105 0.000 1.089 680 F CA 1.186 59.130 58.000 -0.094 0.000 1.343 680 F CB 0.498 39.433 39.000 -0.108 0.000 1.040 680 F HN 0.256 nan 8.300 nan 0.000 0.498 681 N N -1.160 117.372 118.700 -0.280 0.000 2.609 681 N HA 0.163 4.903 4.740 0.000 0.000 0.251 681 N C -3.320 172.015 175.510 -0.291 0.000 1.526 681 N CA -1.444 51.379 53.050 -0.378 0.000 0.931 681 N CB -0.885 37.305 38.487 -0.494 0.000 1.460 681 N HN 0.017 nan 8.380 nan 0.000 0.526 682 P HA 0.092 nan 4.420 nan 0.000 0.269 682 P C -0.526 176.398 177.300 -0.628 0.000 1.209 682 P CA 0.057 62.802 63.100 -0.593 0.000 0.776 682 P CB 1.168 32.347 31.700 -0.869 0.000 0.876 683 R N 2.847 122.963 120.500 -0.639 0.000 2.502 683 R HA 0.257 4.597 4.340 0.000 0.000 0.300 683 R C 0.052 176.153 176.300 -0.332 0.000 0.984 683 R CA -0.563 55.341 56.100 -0.327 0.000 0.882 683 R CB 0.925 31.130 30.300 -0.159 0.000 1.180 683 R HN 0.543 nan 8.270 nan 0.000 0.444 684 W N 1.614 122.918 121.300 0.006 0.000 2.798 684 W HA 0.111 4.771 4.660 0.000 0.000 0.260 684 W C -0.008 176.498 176.519 -0.022 0.000 1.165 684 W CA 0.094 57.438 57.345 -0.003 0.000 1.501 684 W CB 0.363 29.828 29.460 0.009 0.000 1.023 684 W HN 0.632 nan 8.180 nan 0.000 0.615 685 D N 1.112 121.649 120.400 0.228 0.000 2.697 685 D HA -0.212 4.429 4.640 0.000 0.000 0.235 685 D C -0.397 175.920 176.300 0.028 0.000 1.167 685 D CA 1.159 55.219 54.000 0.101 0.000 0.656 685 D CB -1.068 39.773 40.800 0.070 0.000 1.025 685 D HN 0.053 nan 8.370 nan 0.000 0.419 686 M N 0.867 120.450 119.600 -0.029 0.000 2.465 686 M HA 0.391 4.871 4.480 0.000 0.000 0.316 686 M C -0.850 175.171 176.300 -0.465 0.000 1.121 686 M CA -0.402 54.766 55.300 -0.221 0.000 0.934 686 M CB 2.007 34.468 32.600 -0.232 0.000 1.692 686 M HN 0.024 nan 8.290 nan 0.000 0.444 687 E N 3.477 123.368 120.200 -0.515 0.000 2.210 687 E HA 0.556 4.907 4.350 0.000 0.000 0.266 687 E C -1.914 174.326 176.600 -0.600 0.000 0.883 687 E CA -0.541 55.551 56.400 -0.512 0.000 0.761 687 E CB 1.158 30.713 29.700 -0.242 0.000 1.156 687 E HN 0.627 nan 8.360 nan 0.000 0.412 688 F N 1.636 121.505 119.950 -0.135 0.000 2.538 688 F HA 0.456 4.984 4.527 0.000 0.000 0.325 688 F C 0.283 175.831 175.800 -0.420 0.000 1.066 688 F CA -0.904 56.903 58.000 -0.323 0.000 0.946 688 F CB 1.650 40.402 39.000 -0.412 0.000 1.199 688 F HN 0.299 nan 8.300 nan 0.000 0.473 689 E N 2.073 122.031 120.200 -0.403 0.000 2.234 689 E HA 0.464 4.814 4.350 0.000 0.000 0.266 689 E C -2.018 174.264 176.600 -0.530 0.000 0.877 689 E CA -0.432 55.770 56.400 -0.331 0.000 0.758 689 E CB 1.603 31.212 29.700 -0.152 0.000 1.170 689 E HN 0.466 nan 8.360 nan 0.000 0.415 690 F N 1.351 121.326 119.950 0.043 0.000 2.561 690 F HA 0.349 4.876 4.527 0.000 0.000 0.321 690 F C 0.297 176.110 175.800 0.020 0.000 1.065 690 F CA -0.999 57.015 58.000 0.023 0.000 0.934 690 F CB 1.702 40.714 39.000 0.020 0.000 1.215 690 F HN 0.355 nan 8.300 nan 0.000 0.471 691 E N 1.394 121.701 120.200 0.179 0.000 2.151 691 E HA 0.630 4.981 4.350 0.000 0.000 0.275 691 E C -1.838 174.752 176.600 -0.017 0.000 0.936 691 E CA -0.514 55.920 56.400 0.057 0.000 0.777 691 E CB 1.413 31.120 29.700 0.012 0.000 1.108 691 E HN 0.448 nan 8.360 nan 0.000 0.401 692 V N 5.127 124.965 119.914 -0.127 0.000 2.376 692 V HA 0.161 4.282 4.120 0.000 0.000 0.287 692 V C 1.023 176.847 176.094 -0.451 0.000 1.015 692 V CA -0.128 61.986 62.300 -0.309 0.000 0.834 692 V CB 1.145 32.652 31.823 -0.526 0.000 1.001 692 V HN 0.988 nan 8.190 nan 0.000 0.428 693 T N 1.250 115.522 114.554 -0.470 0.000 3.043 693 T HA 0.060 4.410 4.350 0.000 0.000 0.263 693 T C 0.499 174.816 174.700 -0.638 0.000 1.094 693 T CA 0.395 62.039 62.100 -0.761 0.000 1.127 693 T CB 0.198 68.442 68.868 -1.039 0.000 0.905 693 T HN 0.371 nan 8.240 nan 0.000 0.490 694 V N 2.946 122.616 119.914 -0.406 0.000 2.464 694 V HA 0.304 4.424 4.120 0.000 0.000 0.255 694 V C -1.902 173.973 176.094 -0.365 0.000 0.946 694 V CA -1.496 60.652 62.300 -0.253 0.000 0.988 694 V CB 1.232 33.069 31.823 0.023 0.000 1.210 694 V HN 0.137 nan 8.190 nan 0.000 0.523 695 P HA -0.119 nan 4.420 nan 0.000 0.221 695 P C 0.836 177.815 177.300 -0.535 0.000 1.145 695 P CA 1.110 63.586 63.100 -1.040 0.000 0.795 695 P CB 0.495 31.232 31.700 -1.605 0.000 0.775 696 D N -0.730 119.497 120.400 -0.288 0.000 2.350 696 D HA -0.003 4.638 4.640 0.000 0.000 0.216 696 D C 1.596 177.883 176.300 -0.022 0.000 0.968 696 D CA 0.755 54.701 54.000 -0.091 0.000 0.894 696 D CB -0.119 40.660 40.800 -0.034 0.000 0.909 696 D HN 0.278 nan 8.370 nan 0.000 0.520 697 L N -0.596 120.603 121.223 -0.039 0.000 2.858 697 L HA 0.351 4.691 4.340 0.000 0.000 0.251 697 L C 0.658 177.544 176.870 0.027 0.000 1.149 697 L CA -0.279 54.571 54.840 0.017 0.000 0.955 697 L CB 0.544 42.648 42.059 0.075 0.000 1.289 697 L HN -0.159 nan 8.230 nan 0.000 0.542 698 A N 0.755 123.558 122.820 -0.029 0.000 2.293 698 A HA 0.766 5.086 4.320 0.000 0.000 0.302 698 A C -0.751 176.915 177.584 0.137 0.000 1.119 698 A CA -0.161 51.891 52.037 0.025 0.000 0.823 698 A CB 0.840 19.778 19.000 -0.104 0.000 1.097 698 A HN 0.128 nan 8.150 nan 0.000 0.491 699 L N 0.823 122.128 121.223 0.137 0.000 2.409 699 L HA 0.566 4.907 4.340 0.000 0.000 0.262 699 L C -0.728 176.148 176.870 0.010 0.000 0.992 699 L CA -0.504 54.409 54.840 0.122 0.000 0.817 699 L CB 2.303 44.468 42.059 0.176 0.000 1.350 699 L HN 0.400 nan 8.230 nan 0.000 0.411 700 V N 2.100 121.978 119.914 -0.061 0.000 2.417 700 V HA 0.591 4.711 4.120 0.000 0.000 0.291 700 V C -0.286 175.626 176.094 -0.304 0.000 1.024 700 V CA -0.612 61.525 62.300 -0.273 0.000 0.861 700 V CB 1.682 33.327 31.823 -0.297 0.000 0.985 700 V HN 0.694 nan 8.190 nan 0.000 0.436 701 R N 3.706 123.929 120.500 -0.462 0.000 2.562 701 R HA 0.644 4.984 4.340 0.000 0.000 0.298 701 R C -1.824 174.196 176.300 -0.467 0.000 0.961 701 R CA -0.543 55.385 56.100 -0.286 0.000 0.881 701 R CB 1.399 31.642 30.300 -0.094 0.000 1.159 701 R HN 0.528 nan 8.270 nan 0.000 0.450 702 F N 4.534 124.467 119.950 -0.027 0.000 2.426 702 F HA 0.444 4.972 4.527 0.001 0.000 0.348 702 F C 0.212 175.996 175.800 -0.027 0.000 1.124 702 F CA -0.649 57.328 58.000 -0.039 0.000 1.008 702 F CB 1.851 40.833 39.000 -0.030 0.000 1.139 702 F HN 0.292 nan 8.300 nan 0.000 0.452 703 M N 4.489 124.138 119.600 0.082 0.000 2.326 703 M HA 0.709 5.189 4.480 0.000 0.000 0.306 703 M C -1.978 174.286 176.300 -0.061 0.000 1.054 703 M CA -0.653 54.656 55.300 0.015 0.000 0.922 703 M CB 1.598 34.225 32.600 0.045 0.000 1.632 703 M HN 0.288 nan 8.290 nan 0.000 0.436 704 V N 4.409 124.230 119.914 -0.155 0.000 2.370 704 V HA 0.481 4.601 4.120 0.000 0.000 0.283 704 V C -0.393 175.606 176.094 -0.159 0.000 1.023 704 V CA -0.535 61.682 62.300 -0.137 0.000 0.857 704 V CB 1.381 33.144 31.823 -0.100 0.000 0.985 704 V HN 0.882 nan 8.190 nan 0.000 0.443 705 E N 2.209 122.387 120.200 -0.036 0.000 2.235 705 E HA 0.421 4.771 4.350 0.000 0.000 0.265 705 E C -1.268 175.386 176.600 0.091 0.000 0.940 705 E CA -0.825 55.588 56.400 0.022 0.000 0.819 705 E CB 2.157 31.899 29.700 0.069 0.000 1.206 705 E HN 0.688 nan 8.360 nan 0.000 0.409 706 D N 1.306 121.764 120.400 0.098 0.000 2.329 706 D HA 0.070 4.710 4.640 0.000 0.000 0.232 706 D C -1.411 174.976 176.300 0.144 0.000 1.088 706 D CA -0.462 53.613 54.000 0.125 0.000 0.835 706 D CB 0.288 41.141 40.800 0.087 0.000 1.078 706 D HN 0.310 nan 8.370 nan 0.000 0.495 707 Y N 3.360 123.705 120.300 0.075 0.000 2.442 707 Y HA 0.308 4.859 4.550 0.000 0.000 0.330 707 Y C -0.842 175.092 175.900 0.057 0.000 1.129 707 Y CA 0.278 58.419 58.100 0.068 0.000 1.365 707 Y CB 0.616 39.122 38.460 0.076 0.000 1.233 707 Y HN 0.240 nan 8.280 nan 0.000 0.529 708 D N 3.514 123.450 120.400 -0.772 0.000 2.788 708 D HA 0.148 4.788 4.640 0.000 0.000 0.247 708 D C 0.370 176.143 176.300 -0.878 0.000 1.236 708 D CA -0.273 53.371 54.000 -0.593 0.000 0.898 708 D CB 1.973 42.624 40.800 -0.247 0.000 1.401 708 D HN 0.655 nan 8.370 nan 0.000 0.549 709 S N 0.404 115.701 115.700 -0.672 0.000 2.371 709 S HA -0.141 4.329 4.470 0.000 0.000 0.224 709 S C 1.600 176.109 174.600 -0.151 0.000 1.029 709 S CA 0.753 58.758 58.200 -0.325 0.000 0.978 709 S CB -0.135 63.080 63.200 0.026 0.000 0.833 709 S HN 0.402 nan 8.310 nan 0.000 0.466 710 S N 0.954 116.582 115.700 -0.121 0.000 2.558 710 S HA 0.294 4.764 4.470 0.000 0.000 0.217 710 S C 0.841 175.401 174.600 -0.066 0.000 0.975 710 S CA 0.118 58.281 58.200 -0.062 0.000 0.912 710 S CB -0.169 63.010 63.200 -0.036 0.000 0.776 710 S HN 0.662 nan 8.310 nan 0.000 0.526 711 S N 0.570 116.207 115.700 -0.105 0.000 2.911 711 S HA 0.644 5.115 4.470 0.000 0.000 0.319 711 S C -1.164 173.386 174.600 -0.083 0.000 1.154 711 S CA -0.887 57.269 58.200 -0.074 0.000 0.857 711 S CB 1.132 64.298 63.200 -0.056 0.000 1.279 711 S HN 0.116 nan 8.310 nan 0.000 0.593 712 K N 1.263 121.637 120.400 -0.043 0.000 2.276 712 K HA 0.389 4.709 4.320 0.000 0.000 0.283 712 K C -0.771 175.815 176.600 -0.022 0.000 1.044 712 K CA -0.183 56.092 56.287 -0.020 0.000 0.944 712 K CB 0.153 32.657 32.500 0.006 0.000 1.012 712 K HN 0.545 nan 8.250 nan 0.000 0.472 713 N N 3.800 122.494 118.700 -0.011 0.000 2.440 713 N HA -0.001 4.739 4.740 0.000 0.000 0.265 713 N C -0.901 174.645 175.510 0.059 0.000 1.239 713 N CA 0.191 53.248 53.050 0.011 0.000 0.909 713 N CB 0.313 38.835 38.487 0.058 0.000 1.066 713 N HN 0.550 nan 8.380 nan 0.000 0.474 714 D N 0.928 121.365 120.400 0.062 0.000 2.399 714 D HA 0.002 4.642 4.640 0.000 0.000 0.241 714 D C 0.054 176.445 176.300 0.153 0.000 1.133 714 D CA 0.015 54.078 54.000 0.104 0.000 0.890 714 D CB 0.522 41.373 40.800 0.086 0.000 1.201 714 D HN 0.338 nan 8.370 nan 0.000 0.432 715 F N 1.424 121.404 119.950 0.051 0.000 2.399 715 F HA 0.251 4.778 4.527 0.000 0.000 0.342 715 F C 0.695 176.538 175.800 0.073 0.000 1.106 715 F CA -0.212 57.825 58.000 0.062 0.000 1.196 715 F CB 0.503 39.537 39.000 0.056 0.000 1.163 715 F HN 0.278 nan 8.300 nan 0.000 0.547 716 I N 2.702 123.067 120.570 -0.342 0.000 3.443 716 I HA 0.386 4.556 4.170 0.000 0.000 0.277 716 I C 0.955 176.919 176.117 -0.255 0.000 1.169 716 I CA 0.319 61.516 61.300 -0.172 0.000 1.419 716 I CB 0.334 38.269 38.000 -0.108 0.000 1.331 716 I HN 0.722 nan 8.210 nan 0.000 0.458 717 G N 0.095 108.487 108.800 -0.679 0.000 2.523 717 G HA2 0.463 4.423 3.960 0.000 0.000 0.291 717 G HA3 0.463 4.423 3.960 0.000 0.000 0.291 717 G C -2.067 172.623 174.900 -0.350 0.000 1.450 717 G CA -0.218 44.721 45.100 -0.269 0.000 0.790 717 G HN -0.055 nan 8.290 nan 0.000 0.496 718 Q N -0.784 119.060 119.800 0.074 0.000 2.630 718 Q HA 0.733 5.073 4.340 0.000 0.000 0.295 718 Q C -1.886 174.241 176.000 0.212 0.000 0.944 718 Q CA -0.692 55.212 55.803 0.168 0.000 0.766 718 Q CB 2.027 30.994 28.738 0.382 0.000 1.471 718 Q HN 1.138 nan 8.270 nan 0.000 0.416 719 S N 0.242 116.089 115.700 0.246 0.000 2.563 719 S HA 0.623 5.093 4.470 0.000 0.000 0.279 719 S C -1.822 172.966 174.600 0.314 0.000 1.155 719 S CA -0.168 58.189 58.200 0.262 0.000 0.928 719 S CB 1.663 64.998 63.200 0.226 0.000 1.107 719 S HN 0.517 nan 8.310 nan 0.000 0.462 720 T N 4.784 119.504 114.554 0.277 0.000 2.841 720 T HA 0.604 4.954 4.350 0.000 0.000 0.285 720 T C -0.821 174.046 174.700 0.278 0.000 0.991 720 T CA -0.315 61.932 62.100 0.244 0.000 0.966 720 T CB 0.607 69.607 68.868 0.221 0.000 0.962 720 T HN 0.538 nan 8.240 nan 0.000 0.438 721 I N 5.012 125.695 120.570 0.188 0.000 2.447 721 I HA 0.345 4.516 4.170 0.000 0.000 0.287 721 I C -2.452 173.632 176.117 -0.055 0.000 1.023 721 I CA -2.770 58.564 61.300 0.056 0.000 1.083 721 I CB 2.357 40.340 38.000 -0.028 0.000 1.245 721 I HN 0.298 nan 8.210 nan 0.000 0.434 722 P HA -0.119 nan 4.420 nan 0.000 0.266 722 P C 0.555 177.822 177.300 -0.056 0.000 1.195 722 P CA 0.011 63.084 63.100 -0.044 0.000 0.768 722 P CB 0.674 32.338 31.700 -0.059 0.000 0.838 723 W N 4.138 125.356 121.300 -0.136 0.000 2.301 723 W HA -0.256 4.404 4.660 0.001 0.000 0.325 723 W C 0.793 177.218 176.519 -0.156 0.000 1.250 723 W CA 1.800 59.061 57.345 -0.139 0.000 1.261 723 W CB -0.794 28.601 29.460 -0.108 0.000 1.157 723 W HN 0.352 nan 8.180 nan 0.000 0.473 724 N N 0.358 119.148 118.700 0.150 0.000 2.626 724 N HA -0.077 4.663 4.740 0.000 0.000 0.193 724 N C 0.959 176.339 175.510 -0.216 0.000 1.213 724 N CA 1.176 54.252 53.050 0.043 0.000 0.914 724 N CB -0.085 38.520 38.487 0.196 0.000 0.994 724 N HN 0.037 nan 8.380 nan 0.000 0.447 725 S N -0.193 115.267 115.700 -0.401 0.000 2.666 725 S HA 0.161 4.631 4.470 0.000 0.000 0.239 725 S C 0.231 174.417 174.600 -0.691 0.000 1.031 725 S CA -0.534 57.223 58.200 -0.738 0.000 1.015 725 S CB 0.783 63.465 63.200 -0.863 0.000 0.981 725 S HN 0.114 nan 8.310 nan 0.000 0.547 726 L N 4.109 124.997 121.223 -0.558 0.000 2.456 726 L HA 0.267 4.607 4.340 0.000 0.000 0.277 726 L C 0.020 176.633 176.870 -0.428 0.000 1.124 726 L CA 0.288 54.840 54.840 -0.480 0.000 0.880 726 L CB 0.001 41.734 42.059 -0.544 0.000 1.192 726 L HN -0.075 nan 8.230 nan 0.000 0.463 727 K N 4.572 124.766 120.400 -0.343 0.000 2.154 727 K HA 0.280 4.601 4.320 0.000 0.000 0.264 727 K C -0.350 176.087 176.600 -0.273 0.000 1.008 727 K CA -0.532 55.583 56.287 -0.286 0.000 0.937 727 K CB 1.014 33.379 32.500 -0.225 0.000 1.002 727 K HN 0.646 nan 8.250 nan 0.000 0.469 728 Q N -0.336 119.312 119.800 -0.254 0.000 2.180 728 Q HA 0.502 4.842 4.340 0.000 0.000 0.241 728 Q C 0.417 176.250 176.000 -0.279 0.000 0.970 728 Q CA -0.565 55.079 55.803 -0.265 0.000 0.919 728 Q CB 1.419 30.006 28.738 -0.252 0.000 1.222 728 Q HN 0.852 nan 8.270 nan 0.000 0.482 729 G N -0.268 108.326 108.800 -0.344 0.000 2.527 729 G HA2 -0.263 3.697 3.960 0.000 0.000 0.227 729 G HA3 -0.263 3.697 3.960 0.000 0.000 0.227 729 G C -1.429 173.180 174.900 -0.484 0.000 1.291 729 G CA -0.711 44.121 45.100 -0.448 0.000 0.904 729 G HN 0.442 nan 8.290 nan 0.000 0.577 730 Y N 2.272 122.446 120.300 -0.209 0.000 2.336 730 Y HA 0.725 5.275 4.550 0.000 0.000 0.335 730 Y C 1.287 177.003 175.900 -0.307 0.000 1.046 730 Y CA -0.094 57.830 58.100 -0.293 0.000 1.198 730 Y CB 1.134 39.622 38.460 0.047 0.000 1.182 730 Y HN 0.536 nan 8.280 nan 0.000 0.502 731 R N 1.365 121.638 120.500 -0.379 0.000 2.739 731 R HA 0.368 4.709 4.340 0.000 0.000 0.271 731 R C -1.570 174.502 176.300 -0.381 0.000 1.010 731 R CA -1.299 54.614 56.100 -0.310 0.000 0.897 731 R CB 1.601 31.732 30.300 -0.281 0.000 1.236 731 R HN 0.737 nan 8.270 nan 0.000 0.466 732 H N -0.514 118.493 119.070 -0.104 0.000 2.457 732 H HA 0.410 4.966 4.556 0.001 0.000 0.335 732 H C -0.388 174.804 175.328 -0.227 0.000 1.115 732 H CA -0.551 55.475 56.048 -0.037 0.000 1.219 732 H CB 1.915 31.740 29.762 0.105 0.000 1.471 732 H HN 0.034 nan 8.280 nan 0.000 0.491 733 V N 4.629 124.497 119.914 -0.075 0.000 2.383 733 V HA 0.057 4.177 4.120 0.000 0.000 0.275 733 V C -0.259 175.885 176.094 0.083 0.000 1.036 733 V CA -0.673 61.509 62.300 -0.198 0.000 0.889 733 V CB 0.387 31.904 31.823 -0.510 0.000 0.985 733 V HN 0.766 nan 8.190 nan 0.000 0.459 734 H N 5.295 124.355 119.070 -0.016 0.000 2.782 734 H HA 0.417 4.973 4.556 0.001 0.000 0.285 734 H C -0.001 175.352 175.328 0.041 0.000 1.093 734 H CA -0.567 55.489 56.048 0.013 0.000 1.410 734 H CB 0.542 30.311 29.762 0.012 0.000 1.439 734 H HN 0.478 nan 8.280 nan 0.000 0.469 735 L N 4.469 125.797 121.223 0.174 0.000 2.426 735 L HA 0.198 4.538 4.340 0.000 0.000 0.271 735 L C 0.307 177.303 176.870 0.211 0.000 1.169 735 L CA -0.067 54.874 54.840 0.168 0.000 0.836 735 L CB 0.453 42.592 42.059 0.134 0.000 1.112 735 L HN 0.318 nan 8.230 nan 0.000 0.465 736 L N 1.688 123.033 121.223 0.203 0.000 2.333 736 L HA 0.475 4.815 4.340 0.000 0.000 0.269 736 L C 0.481 177.488 176.870 0.227 0.000 1.010 736 L CA -0.626 54.298 54.840 0.140 0.000 0.818 736 L CB 2.071 44.200 42.059 0.116 0.000 1.306 736 L HN 0.730 nan 8.230 nan 0.000 0.430 737 S N 0.109 115.824 115.700 0.025 0.000 2.634 737 S HA 0.139 4.609 4.470 0.000 0.000 0.261 737 S C 0.887 175.568 174.600 0.135 0.000 1.271 737 S CA -0.423 57.858 58.200 0.136 0.000 0.985 737 S CB 0.967 64.109 63.200 -0.095 0.000 0.968 737 S HN 0.696 nan 8.310 nan 0.000 0.568 738 K N 0.501 120.914 120.400 0.021 0.000 2.160 738 K HA -0.099 4.221 4.320 0.000 0.000 0.206 738 K C 0.786 177.295 176.600 -0.151 0.000 1.047 738 K CA 1.462 57.578 56.287 -0.285 0.000 0.930 738 K CB -0.330 31.999 32.500 -0.286 0.000 0.720 738 K HN 0.604 nan 8.250 nan 0.000 0.450 739 N N -0.587 118.064 118.700 -0.081 0.000 2.268 739 N HA 0.032 4.772 4.740 0.000 0.000 0.204 739 N C 0.659 176.137 175.510 -0.054 0.000 1.124 739 N CA 0.873 53.881 53.050 -0.071 0.000 0.838 739 N CB 1.265 39.720 38.487 -0.054 0.000 0.994 739 N HN 0.347 nan 8.380 nan 0.000 0.489 740 G N 1.109 109.887 108.800 -0.037 0.000 2.162 740 G HA2 -0.226 3.734 3.960 0.000 0.000 0.260 740 G HA3 -0.226 3.734 3.960 0.000 0.000 0.260 740 G C -0.394 174.489 174.900 -0.028 0.000 0.976 740 G CA -0.045 45.046 45.100 -0.015 0.000 0.655 740 G HN 0.294 nan 8.290 nan 0.000 0.533 741 D N 0.525 120.883 120.400 -0.069 0.000 2.339 741 D HA 0.357 4.997 4.640 0.000 0.000 0.245 741 D C 0.632 176.843 176.300 -0.149 0.000 1.115 741 D CA -0.036 53.903 54.000 -0.101 0.000 0.917 741 D CB 0.598 41.321 40.800 -0.128 0.000 1.192 741 D HN 0.113 nan 8.370 nan 0.000 0.428 742 Q N 0.772 120.511 119.800 -0.103 0.000 2.314 742 Q HA 0.086 4.427 4.340 0.000 0.000 0.258 742 Q C -0.427 175.509 176.000 -0.106 0.000 0.954 742 Q CA 0.150 55.912 55.803 -0.068 0.000 0.890 742 Q CB 0.695 29.423 28.738 -0.017 0.000 1.210 742 Q HN 0.343 nan 8.270 nan 0.000 0.410 743 H N 4.734 123.809 119.070 0.008 0.000 2.690 743 H HA 0.141 4.698 4.556 0.000 0.000 0.280 743 H C -1.352 173.941 175.328 -0.059 0.000 1.138 743 H CA -2.190 53.854 56.048 -0.007 0.000 1.241 743 H CB 0.953 30.721 29.762 0.010 0.000 1.394 743 H HN 0.390 nan 8.280 nan 0.000 0.489 744 P HA -0.153 nan 4.420 nan 0.000 0.218 744 P C 0.825 178.067 177.300 -0.097 0.000 1.154 744 P CA 1.228 64.312 63.100 -0.026 0.000 0.872 744 P CB 0.567 32.268 31.700 0.001 0.000 0.790 745 S N -1.779 113.883 115.700 -0.062 0.000 2.559 745 S HA 0.412 4.882 4.470 0.000 0.000 0.226 745 S C 0.798 175.327 174.600 -0.118 0.000 1.000 745 S CA -0.207 57.929 58.200 -0.108 0.000 0.948 745 S CB 0.288 63.451 63.200 -0.062 0.000 0.870 745 S HN 0.252 nan 8.310 nan 0.000 0.497 746 A N 2.528 125.298 122.820 -0.083 0.000 2.276 746 A HA 0.646 4.967 4.320 0.000 0.000 0.300 746 A C 0.428 177.992 177.584 -0.033 0.000 1.235 746 A CA -0.309 51.688 52.037 -0.066 0.000 0.867 746 A CB 0.123 19.072 19.000 -0.085 0.000 1.137 746 A HN 0.299 nan 8.150 nan 0.000 0.527 747 T N 0.016 114.564 114.554 -0.010 0.000 2.841 747 T HA 0.729 5.079 4.350 0.000 0.000 0.296 747 T C -0.686 174.089 174.700 0.125 0.000 1.166 747 T CA -0.774 61.379 62.100 0.088 0.000 1.007 747 T CB 1.003 69.920 68.868 0.081 0.000 1.253 747 T HN 0.427 nan 8.240 nan 0.000 0.511 748 L N 1.083 122.398 121.223 0.153 0.000 2.362 748 L HA 0.693 5.034 4.340 0.000 0.000 0.271 748 L C -1.342 175.667 176.870 0.233 0.000 1.002 748 L CA -1.067 53.856 54.840 0.139 0.000 0.818 748 L CB 2.096 44.128 42.059 -0.045 0.000 1.298 748 L HN 0.698 nan 8.230 nan 0.000 0.420 749 F N 4.046 124.038 119.950 0.070 0.000 2.411 749 F HA 0.639 5.167 4.527 0.001 0.000 0.352 749 F C -0.331 175.413 175.800 -0.094 0.000 1.123 749 F CA -0.679 57.258 58.000 -0.104 0.000 1.044 749 F CB 1.285 40.231 39.000 -0.091 0.000 1.135 749 F HN 0.129 nan 8.300 nan 0.000 0.461 750 V N 2.814 122.292 119.914 -0.727 0.000 3.141 750 V HA 0.702 4.822 4.120 0.000 0.000 0.312 750 V C -1.556 174.163 176.094 -0.625 0.000 1.157 750 V CA -1.200 60.783 62.300 -0.528 0.000 1.041 750 V CB 1.928 33.566 31.823 -0.309 0.000 1.071 750 V HN 0.774 nan 8.190 nan 0.000 0.441 751 K N 1.409 121.577 120.400 -0.385 0.000 2.463 751 K HA 0.774 5.095 4.320 0.000 0.000 0.255 751 K C -1.612 174.816 176.600 -0.286 0.000 0.942 751 K CA -0.482 55.566 56.287 -0.398 0.000 0.814 751 K CB 1.597 33.886 32.500 -0.351 0.000 1.122 751 K HN 0.815 nan 8.250 nan 0.000 0.425 752 I N 2.239 122.634 120.570 -0.291 0.000 2.562 752 I HA 0.423 4.593 4.170 0.000 0.000 0.301 752 I C -0.660 175.316 176.117 -0.235 0.000 1.003 752 I CA -0.594 60.576 61.300 -0.216 0.000 1.127 752 I CB 2.180 40.053 38.000 -0.211 0.000 1.304 752 I HN 0.649 nan 8.210 nan 0.000 0.446 753 S N 6.573 122.160 115.700 -0.188 0.000 2.614 753 S HA 0.653 5.123 4.470 0.000 0.000 0.275 753 S C -1.216 173.302 174.600 -0.137 0.000 1.161 753 S CA -0.577 57.516 58.200 -0.178 0.000 0.969 753 S CB 0.875 63.977 63.200 -0.163 0.000 1.059 753 S HN 0.459 nan 8.310 nan 0.000 0.482 754 I N 4.838 125.324 120.570 -0.140 0.000 2.410 754 I HA 0.427 4.597 4.170 0.000 0.000 0.286 754 I C 0.009 176.105 176.117 -0.034 0.000 1.009 754 I CA -0.518 60.737 61.300 -0.075 0.000 1.111 754 I CB 1.691 39.612 38.000 -0.132 0.000 1.262 754 I HN 0.823 nan 8.210 nan 0.000 0.443 755 Q N 3.858 123.659 119.800 0.002 0.000 3.156 755 Q HA 0.620 4.960 4.340 0.000 0.000 0.301 755 Q C -1.495 174.513 176.000 0.014 0.000 1.026 755 Q CA -0.941 54.858 55.803 -0.008 0.000 0.827 755 Q CB 1.380 30.102 28.738 -0.025 0.000 1.490 755 Q HN 0.359 nan 8.270 nan 0.000 0.492 756 D N 0.000 120.399 120.400 -0.002 0.000 6.856 756 D HA 0.000 4.640 4.640 0.000 0.000 0.175 756 D CA 0.000 53.996 54.000 -0.007 0.000 0.868 756 D CB 0.000 40.792 40.800 -0.014 0.000 0.688 756 D HN 0.000 nan 8.370 nan 0.000 0.683