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 2brw_1_A DATA FIRST_RESID 170 DATA SEQUENCE VKDTYTDRLD DWNGIIAGNQ YYDSKNDQMA KLNQELEGKV ADSLSSISSQ DATA SEQUENCE ADRIYLWEKF SNYKTSANLT ATYRKLEEMA KQVTNPSSRY YQDETVVRTV DATA SEQUENCE RDSMEWMHKH VYNSEKSIVG NWWDYEIGTP RAINNTLSLM KEYFSDEEIK DATA SEQUENCE KYTDVIEKFV PDPEHFRKTT DNPFKALGGN LVDMGRVKVI AGLLRKDDQE DATA SEQUENCE ISSTIRSIEQ VFKLVDQGEG FYQDGSYIDH TNVAYTGAYG NVLIDGLSQL DATA SEQUENCE LPVIQKTKNP IDKDKMQTMY HWIDKSFAPL LVNGELMDMS RGRSISRANS DATA SEQUENCE EGHVAAVEVL RGIHRIADMS EGETKQRLQS LVKTIVQSDS YYDVFKNLKT DATA SEQUENCE YKDISLMQSL LSDAGVASVP RTSYLSAFNK MDKTAMYNAE KGFGFGLSLF DATA SEQUENCE SSRTLNYEHM NKENKRGWYT SDGMFYLYNG DLSHYSDGYW PTVNPYKMPG DATA SEQUENCE TTETDAKRAD SDTGKVLPSA FVGTSKLDDA NATATMDFTN WNQTLTAHKS DATA SEQUENCE WFMLKDKIAF LGSNIQNTST DTAATTIDQR KLESSNPYKV YVNDKEASLT DATA SEQUENCE EQEKDYPETQ SVFLESSDSK KNIGYFFFKK SSISMSKALQ KGAWKDINEG DATA SEQUENCE QSDKEVENEF LTISQAHKQN GDSYGYMLIP NVDRATFNQM IKELESSLIE DATA SEQUENCE NNETLQSVYD AKQGVWGIVK YDDSVSTISN QFQVLKRGVY TIRKEGDEYK DATA SEQUENCE IAYYNPETQE SAPDQEVFKK LE 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 170 V HA 0.000 nan 4.120 nan 0.000 0.244 170 V C 0.000 176.121 176.094 0.045 0.000 1.182 170 V CA 0.000 62.319 62.300 0.032 0.000 1.235 170 V CB 0.000 31.842 31.823 0.032 0.000 1.184 171 K N 2.667 123.092 120.400 0.041 0.000 2.263 171 K HA 0.528 4.654 4.320 -0.323 0.000 0.282 171 K C -1.022 175.611 176.600 0.056 0.000 1.089 171 K CA -0.190 56.126 56.287 0.047 0.000 0.907 171 K CB 0.508 33.026 32.500 0.031 0.000 1.148 171 K HN 0.886 nan 8.250 nan 0.000 0.470 172 D N 1.445 121.895 120.400 0.083 0.000 2.837 172 D HA -0.008 4.438 4.640 -0.323 0.000 0.294 172 D C 0.833 177.167 176.300 0.057 0.000 1.158 172 D CA -0.604 53.447 54.000 0.085 0.000 1.073 172 D CB 0.424 41.315 40.800 0.152 0.000 1.419 172 D HN 0.264 nan 8.370 nan 0.000 0.584 173 T N -1.808 112.736 114.554 -0.017 0.000 2.803 173 T HA -0.175 3.982 4.350 -0.323 0.000 0.269 173 T C 1.327 175.949 174.700 -0.130 0.000 1.052 173 T CA 1.485 63.512 62.100 -0.122 0.000 1.136 173 T CB -0.671 68.046 68.868 -0.253 0.000 0.864 173 T HN 0.381 nan 8.240 nan 0.000 0.467 174 Y N 1.926 122.232 120.300 0.010 0.000 2.133 174 Y HA -0.074 4.282 4.550 -0.323 0.000 0.287 174 Y C 3.191 179.106 175.900 0.024 0.000 1.134 174 Y CA 1.815 59.921 58.100 0.010 0.000 1.133 174 Y CB -1.187 37.275 38.460 0.004 0.000 0.987 174 Y HN 0.407 nan 8.280 nan 0.000 0.502 175 T N -2.322 112.348 114.554 0.195 0.000 2.803 175 T HA -0.188 3.968 4.350 -0.323 0.000 0.269 175 T C 1.374 176.135 174.700 0.102 0.000 1.052 175 T CA 1.635 63.813 62.100 0.130 0.000 1.136 175 T CB -0.457 68.471 68.868 0.100 0.000 0.864 175 T HN 0.198 nan 8.240 nan 0.000 0.467 176 D N 1.169 121.614 120.400 0.074 0.000 2.117 176 D HA -0.057 4.389 4.640 -0.323 0.000 0.197 176 D C 2.474 178.816 176.300 0.071 0.000 0.987 176 D CA 0.891 54.923 54.000 0.053 0.000 0.829 176 D CB -0.204 40.606 40.800 0.018 0.000 0.961 176 D HN 0.315 nan 8.370 nan 0.000 0.460 177 R N 0.196 120.738 120.500 0.070 0.000 2.115 177 R HA 0.063 4.209 4.340 -0.323 0.000 0.226 177 R C 2.485 178.878 176.300 0.156 0.000 1.100 177 R CA 0.194 56.347 56.100 0.089 0.000 0.980 177 R CB -0.710 29.622 30.300 0.053 0.000 0.875 177 R HN 0.313 nan 8.270 nan 0.000 0.445 178 L N 0.682 122.001 121.223 0.160 0.000 2.217 178 L HA -0.111 4.035 4.340 -0.323 0.000 0.211 178 L C 1.641 178.645 176.870 0.223 0.000 1.107 178 L CA 0.941 55.911 54.840 0.217 0.000 0.783 178 L CB -0.276 41.887 42.059 0.173 0.000 0.919 178 L HN 0.058 nan 8.230 nan 0.000 0.442 179 D N -0.044 120.450 120.400 0.157 0.000 2.183 179 D HA -0.144 4.302 4.640 -0.323 0.000 0.203 179 D C 1.555 177.939 176.300 0.139 0.000 0.969 179 D CA 0.956 55.032 54.000 0.127 0.000 0.842 179 D CB 0.073 40.925 40.800 0.087 0.000 0.957 179 D HN 0.331 nan 8.370 nan 0.000 0.484 180 D N 0.065 120.562 120.400 0.162 0.000 2.117 180 D HA -0.133 4.313 4.640 -0.323 0.000 0.198 180 D C 1.892 178.322 176.300 0.218 0.000 0.982 180 D CA 0.385 54.487 54.000 0.170 0.000 0.828 180 D CB -0.400 40.496 40.800 0.161 0.000 0.967 180 D HN 0.395 nan 8.370 nan 0.000 0.464 181 W N 2.047 123.381 121.300 0.057 0.000 2.333 181 W HA -0.222 4.243 4.660 -0.324 0.000 0.316 181 W C 1.669 178.225 176.519 0.060 0.000 1.215 181 W CA 0.909 58.285 57.345 0.052 0.000 1.278 181 W CB -0.113 29.375 29.460 0.046 0.000 1.154 181 W HN -0.069 nan 8.180 nan 0.000 0.486 182 N N 0.443 119.167 118.700 0.040 0.000 2.094 182 N HA -0.163 4.383 4.740 -0.323 0.000 0.191 182 N C 1.843 177.323 175.510 -0.049 0.000 1.023 182 N CA 2.046 55.062 53.050 -0.056 0.000 0.857 182 N CB -1.393 37.131 38.487 0.062 0.000 1.013 182 N HN 0.317 nan 8.380 nan 0.000 0.426 183 G N 0.506 109.333 108.800 0.045 0.000 2.448 183 G HA2 -0.147 3.619 3.960 -0.323 0.000 0.219 183 G HA3 -0.147 3.619 3.960 -0.323 0.000 0.219 183 G C 1.580 176.523 174.900 0.071 0.000 1.127 183 G CA 0.355 45.541 45.100 0.144 0.000 0.766 183 G HN 0.315 nan 8.290 nan 0.000 0.552 184 I N 0.689 121.202 120.570 -0.094 0.000 2.852 184 I HA 0.100 4.076 4.170 -0.323 0.000 0.264 184 I C 2.479 178.393 176.117 -0.338 0.000 1.179 184 I CA 0.397 61.577 61.300 -0.199 0.000 1.480 184 I CB 0.077 37.966 38.000 -0.187 0.000 1.111 184 I HN 0.325 nan 8.210 nan 0.000 0.441 185 I N -1.995 118.291 120.570 -0.473 0.000 2.628 185 I HA 0.216 4.192 4.170 -0.323 0.000 0.255 185 I C 2.287 178.236 176.117 -0.281 0.000 1.119 185 I CA 0.957 61.981 61.300 -0.458 0.000 1.448 185 I CB -0.304 37.321 38.000 -0.626 0.000 1.133 185 I HN -0.044 nan 8.210 nan 0.000 0.438 186 A N 1.185 123.892 122.820 -0.188 0.000 1.963 186 A HA 0.488 4.614 4.320 -0.323 0.000 0.211 186 A C 1.958 179.576 177.584 0.057 0.000 1.380 186 A CA 0.801 52.784 52.037 -0.090 0.000 0.690 186 A CB -0.956 18.035 19.000 -0.015 0.000 1.060 186 A HN 0.800 nan 8.150 nan 0.000 0.498 187 G N 0.642 109.534 108.800 0.153 0.000 2.295 187 G HA2 -0.262 3.504 3.960 -0.323 0.000 0.287 187 G HA3 -0.262 3.504 3.960 -0.323 0.000 0.287 187 G C 0.347 175.524 174.900 0.461 0.000 1.055 187 G CA 0.542 45.874 45.100 0.386 0.000 0.922 187 G HN 0.416 nan 8.290 nan 0.000 0.503 188 N N 0.114 118.985 118.700 0.285 0.000 2.519 188 N HA -0.102 4.444 4.740 -0.323 0.000 0.186 188 N C 2.470 178.045 175.510 0.110 0.000 1.062 188 N CA 1.440 54.607 53.050 0.195 0.000 0.910 188 N CB -0.089 38.443 38.487 0.075 0.000 0.958 188 N HN 0.953 nan 8.380 nan 0.000 0.445 189 Q N -0.504 119.328 119.800 0.054 0.000 2.172 189 Q HA -0.116 4.030 4.340 -0.323 0.000 0.200 189 Q C 0.804 176.705 176.000 -0.164 0.000 0.964 189 Q CA 1.120 56.850 55.803 -0.121 0.000 0.855 189 Q CB -0.469 28.102 28.738 -0.278 0.000 0.918 189 Q HN 0.412 nan 8.270 nan 0.000 0.444 190 Y N -0.495 119.856 120.300 0.085 0.000 2.490 190 Y HA 0.092 4.448 4.550 -0.322 0.000 0.281 190 Y C 0.363 176.271 175.900 0.012 0.000 1.174 190 Y CA -0.659 57.476 58.100 0.059 0.000 1.295 190 Y CB -0.169 38.349 38.460 0.097 0.000 1.062 190 Y HN 0.101 nan 8.280 nan 0.000 0.522 191 Y N 2.157 122.444 120.300 -0.022 0.000 2.811 191 Y HA 0.073 4.429 4.550 -0.323 0.000 0.334 191 Y C -0.229 175.572 175.900 -0.165 0.000 1.247 191 Y CA -0.017 57.950 58.100 -0.222 0.000 1.526 191 Y CB 0.256 38.535 38.460 -0.300 0.000 1.284 191 Y HN 0.125 nan 8.280 nan 0.000 0.586 192 D N 2.431 122.212 120.400 -1.032 0.000 2.452 192 D HA 0.129 4.575 4.640 -0.323 0.000 0.226 192 D C -0.302 175.488 176.300 -0.850 0.000 1.366 192 D CA -0.131 53.461 54.000 -0.681 0.000 0.986 192 D CB 0.691 41.280 40.800 -0.352 0.000 1.420 192 D HN 0.410 nan 8.370 nan 0.000 0.583 193 S N 2.741 118.040 115.700 -0.668 0.000 2.894 193 S HA -0.037 4.239 4.470 -0.323 0.000 0.231 193 S C 0.675 175.125 174.600 -0.251 0.000 0.971 193 S CA 0.114 58.082 58.200 -0.387 0.000 1.005 193 S CB -0.272 62.855 63.200 -0.122 0.000 0.799 193 S HN 0.432 nan 8.310 nan 0.000 0.527 194 K N 1.068 121.302 120.400 -0.277 0.000 2.593 194 K HA 0.313 4.439 4.320 -0.323 0.000 0.208 194 K C -0.464 176.022 176.600 -0.190 0.000 1.051 194 K CA -0.232 55.940 56.287 -0.192 0.000 1.111 194 K CB 0.080 32.483 32.500 -0.162 0.000 0.849 194 K HN 0.356 nan 8.250 nan 0.000 0.479 195 N N 0.394 118.969 118.700 -0.208 0.000 2.493 195 N HA -0.010 4.536 4.740 -0.323 0.000 0.279 195 N C -0.282 175.125 175.510 -0.171 0.000 1.082 195 N CA -0.292 52.630 53.050 -0.213 0.000 0.963 195 N CB 1.741 40.049 38.487 -0.299 0.000 1.627 195 N HN -0.064 nan 8.380 nan 0.000 0.499 196 D N 1.139 121.458 120.400 -0.135 0.000 2.220 196 D HA -0.238 4.208 4.640 -0.323 0.000 0.198 196 D C 1.320 177.586 176.300 -0.056 0.000 1.001 196 D CA 1.655 55.606 54.000 -0.081 0.000 0.875 196 D CB 0.457 41.217 40.800 -0.067 0.000 0.921 196 D HN 0.532 nan 8.370 nan 0.000 0.454 197 Q N -0.320 119.425 119.800 -0.091 0.000 1.975 197 Q HA -0.124 4.022 4.340 -0.323 0.000 0.205 197 Q C 2.209 178.247 176.000 0.063 0.000 0.990 197 Q CA 1.642 57.434 55.803 -0.018 0.000 0.845 197 Q CB -0.380 28.329 28.738 -0.047 0.000 0.913 197 Q HN 0.420 nan 8.270 nan 0.000 0.420 198 M N -0.993 118.620 119.600 0.022 0.000 2.077 198 M HA -0.092 4.195 4.480 -0.323 0.000 0.261 198 M C 2.133 178.521 176.300 0.147 0.000 1.070 198 M CA 1.515 56.879 55.300 0.107 0.000 1.125 198 M CB -0.518 31.943 32.600 -0.231 0.000 1.339 198 M HN 0.286 nan 8.290 nan 0.000 0.409 199 A N 0.171 122.990 122.820 -0.002 0.000 2.024 199 A HA -0.196 3.930 4.320 -0.323 0.000 0.220 199 A C 2.129 179.777 177.584 0.107 0.000 1.164 199 A CA 1.808 53.890 52.037 0.075 0.000 0.643 199 A CB -0.598 18.390 19.000 -0.020 0.000 0.806 199 A HN 0.449 nan 8.150 nan 0.000 0.451 200 K N -0.234 120.217 120.400 0.085 0.000 1.980 200 K HA -0.001 4.125 4.320 -0.323 0.000 0.208 200 K C 1.885 178.557 176.600 0.119 0.000 1.043 200 K CA 1.188 57.522 56.287 0.077 0.000 0.938 200 K CB -0.373 32.158 32.500 0.051 0.000 0.724 200 K HN 0.433 nan 8.250 nan 0.000 0.438 201 L N 1.645 122.970 121.223 0.169 0.000 2.010 201 L HA -0.327 3.819 4.340 -0.323 0.000 0.219 201 L C 2.646 179.644 176.870 0.214 0.000 1.077 201 L CA 1.737 56.690 54.840 0.188 0.000 0.773 201 L CB -1.023 41.194 42.059 0.264 0.000 0.892 201 L HN 0.487 nan 8.230 nan 0.000 0.436 202 N N 0.233 119.121 118.700 0.314 0.000 2.084 202 N HA -0.256 4.290 4.740 -0.323 0.000 0.190 202 N C 1.939 177.523 175.510 0.123 0.000 1.030 202 N CA 1.613 54.793 53.050 0.218 0.000 0.849 202 N CB -0.083 38.489 38.487 0.143 0.000 1.012 202 N HN 0.431 nan 8.380 nan 0.000 0.423 203 Q N 0.378 120.247 119.800 0.115 0.000 2.234 203 Q HA -0.162 3.985 4.340 -0.323 0.000 0.206 203 Q C 1.716 177.756 176.000 0.067 0.000 0.980 203 Q CA 1.355 57.203 55.803 0.075 0.000 0.869 203 Q CB 0.057 28.832 28.738 0.061 0.000 0.912 203 Q HN 0.491 nan 8.270 nan 0.000 0.436 204 E N -0.262 119.981 120.200 0.072 0.000 2.033 204 E HA -0.118 4.038 4.350 -0.323 0.000 0.189 204 E C 2.041 178.671 176.600 0.050 0.000 0.979 204 E CA 0.478 56.909 56.400 0.052 0.000 0.802 204 E CB 0.029 29.756 29.700 0.045 0.000 0.763 204 E HN 0.343 nan 8.360 nan 0.000 0.449 205 L N 1.239 122.499 121.223 0.061 0.000 2.042 205 L HA -0.216 3.930 4.340 -0.323 0.000 0.210 205 L C 2.549 179.472 176.870 0.089 0.000 1.076 205 L CA 1.008 55.880 54.840 0.053 0.000 0.749 205 L CB -0.413 41.683 42.059 0.060 0.000 0.893 205 L HN 0.160 nan 8.230 nan 0.000 0.432 206 E N 0.247 120.522 120.200 0.124 0.000 2.049 206 E HA -0.229 3.927 4.350 -0.323 0.000 0.198 206 E C 2.148 178.866 176.600 0.196 0.000 1.007 206 E CA 1.638 58.160 56.400 0.203 0.000 0.809 206 E CB -0.648 29.118 29.700 0.110 0.000 0.749 206 E HN 0.555 nan 8.360 nan 0.000 0.450 207 G N 1.499 110.363 108.800 0.107 0.000 2.459 207 G HA2 -0.301 3.465 3.960 -0.323 0.000 0.217 207 G HA3 -0.301 3.465 3.960 -0.323 0.000 0.217 207 G C 1.644 176.581 174.900 0.061 0.000 1.183 207 G CA 1.159 46.307 45.100 0.080 0.000 0.776 207 G HN 0.235 nan 8.290 nan 0.000 0.552 208 K N -0.218 120.201 120.400 0.032 0.000 2.032 208 K HA -0.055 4.071 4.320 -0.323 0.000 0.209 208 K C 2.580 179.157 176.600 -0.038 0.000 1.048 208 K CA 1.263 57.540 56.287 -0.016 0.000 0.927 208 K CB -0.358 32.120 32.500 -0.037 0.000 0.712 208 K HN 0.211 nan 8.250 nan 0.000 0.441 209 V N 1.178 121.074 119.914 -0.029 0.000 2.427 209 V HA -0.252 3.674 4.120 -0.323 0.000 0.248 209 V C 2.267 178.293 176.094 -0.114 0.000 1.051 209 V CA 1.874 64.092 62.300 -0.137 0.000 1.048 209 V CB -0.644 31.003 31.823 -0.295 0.000 0.666 209 V HN 0.372 nan 8.190 nan 0.000 0.456 210 A N 1.625 124.476 122.820 0.051 0.000 1.841 210 A HA -0.270 3.856 4.320 -0.323 0.000 0.216 210 A C 2.008 179.636 177.584 0.074 0.000 1.199 210 A CA 2.020 54.139 52.037 0.136 0.000 0.621 210 A CB -0.883 18.232 19.000 0.192 0.000 0.835 210 A HN 0.692 nan 8.150 nan 0.000 0.445 211 D N -0.456 119.975 120.400 0.052 0.000 2.310 211 D HA -0.046 4.400 4.640 -0.323 0.000 0.212 211 D C 1.734 178.067 176.300 0.054 0.000 0.965 211 D CA 1.271 55.299 54.000 0.047 0.000 0.879 211 D CB -0.526 40.289 40.800 0.025 0.000 0.921 211 D HN 0.315 nan 8.370 nan 0.000 0.510 212 S N -0.107 115.605 115.700 0.021 0.000 2.395 212 S HA 0.113 4.389 4.470 -0.323 0.000 0.225 212 S C 2.037 176.816 174.600 0.298 0.000 1.027 212 S CA 0.057 58.285 58.200 0.046 0.000 0.965 212 S CB -0.016 63.116 63.200 -0.113 0.000 0.812 212 S HN 0.251 nan 8.310 nan 0.000 0.482 213 L N 1.546 122.852 121.223 0.139 0.000 2.217 213 L HA -0.025 4.121 4.340 -0.323 0.000 0.211 213 L C 2.505 179.443 176.870 0.113 0.000 1.107 213 L CA 1.247 56.154 54.840 0.111 0.000 0.783 213 L CB -0.554 41.509 42.059 0.006 0.000 0.919 213 L HN 0.400 nan 8.230 nan 0.000 0.442 214 S N -1.356 114.414 115.700 0.117 0.000 2.470 214 S HA -0.072 4.205 4.470 -0.323 0.000 0.225 214 S C 1.934 176.602 174.600 0.115 0.000 1.006 214 S CA 0.617 58.873 58.200 0.092 0.000 0.934 214 S CB -0.109 63.137 63.200 0.077 0.000 0.778 214 S HN 0.456 nan 8.310 nan 0.000 0.517 215 S N 0.494 116.319 115.700 0.208 0.000 2.517 215 S HA 0.347 4.623 4.470 -0.323 0.000 0.214 215 S C 0.616 175.386 174.600 0.283 0.000 0.991 215 S CA -0.597 57.761 58.200 0.262 0.000 0.906 215 S CB -0.695 62.688 63.200 0.305 0.000 0.789 215 S HN 0.577 nan 8.310 nan 0.000 0.513 216 I N 2.732 123.425 120.570 0.205 0.000 2.892 216 I HA 0.048 4.024 4.170 -0.323 0.000 0.287 216 I C 0.292 176.199 176.117 -0.350 0.000 1.205 216 I CA 0.045 61.085 61.300 -0.433 0.000 1.409 216 I CB 0.988 38.729 38.000 -0.431 0.000 1.367 216 I HN 0.261 nan 8.210 nan 0.000 0.597 217 S N 5.186 120.581 115.700 -0.509 0.000 2.473 217 S HA 0.213 4.489 4.470 -0.323 0.000 0.312 217 S C 0.052 174.420 174.600 -0.387 0.000 1.087 217 S CA -0.630 57.343 58.200 -0.377 0.000 1.077 217 S CB -0.059 62.875 63.200 -0.443 0.000 1.065 217 S HN 0.603 nan 8.310 nan 0.000 0.510 218 S N 5.181 120.723 115.700 -0.263 0.000 4.120 218 S HA 0.293 4.569 4.470 -0.323 0.000 0.196 218 S C -0.166 174.325 174.600 -0.181 0.000 1.447 218 S CA -0.484 57.586 58.200 -0.217 0.000 0.939 218 S CB -0.061 63.051 63.200 -0.147 0.000 1.496 218 S HN 0.775 nan 8.310 nan 0.000 0.460 219 Q N 0.236 119.905 119.800 -0.219 0.000 2.458 219 Q HA 0.698 4.845 4.340 -0.323 0.000 0.282 219 Q C 0.637 176.557 176.000 -0.133 0.000 1.106 219 Q CA -0.646 55.060 55.803 -0.162 0.000 0.814 219 Q CB 1.375 30.010 28.738 -0.172 0.000 1.425 219 Q HN 0.398 nan 8.270 nan 0.000 0.437 220 A N 0.850 123.624 122.820 -0.077 0.000 2.169 220 A HA -0.045 4.081 4.320 -0.323 0.000 0.212 220 A C 0.348 177.928 177.584 -0.006 0.000 1.153 220 A CA 1.248 53.268 52.037 -0.029 0.000 0.756 220 A CB 0.044 19.036 19.000 -0.013 0.000 0.813 220 A HN 0.735 nan 8.150 nan 0.000 0.471 221 D N -0.215 120.162 120.400 -0.039 0.000 2.673 221 D HA 0.046 4.492 4.640 -0.323 0.000 0.278 221 D C 0.044 176.304 176.300 -0.068 0.000 1.393 221 D CA -0.601 53.386 54.000 -0.022 0.000 0.805 221 D CB -0.628 40.159 40.800 -0.022 0.000 1.110 221 D HN 0.518 nan 8.370 nan 0.000 0.476 222 R N 0.405 120.819 120.500 -0.143 0.000 2.583 222 R HA 0.161 4.307 4.340 -0.323 0.000 0.274 222 R C 0.654 176.856 176.300 -0.163 0.000 0.998 222 R CA -0.126 55.783 56.100 -0.319 0.000 1.081 222 R CB 0.680 30.638 30.300 -0.570 0.000 0.940 222 R HN 0.007 nan 8.270 nan 0.000 0.413 223 I N 1.767 122.156 120.570 -0.303 0.000 3.728 223 I HA 0.063 4.039 4.170 -0.323 0.000 0.307 223 I C -0.217 176.093 176.117 0.320 0.000 1.276 223 I CA 0.104 61.409 61.300 0.009 0.000 1.285 223 I CB -0.317 37.662 38.000 -0.035 0.000 1.038 223 I HN 0.719 nan 8.210 nan 0.000 0.445 224 Y N -3.549 116.812 120.300 0.102 0.000 2.925 224 Y HA 0.410 4.766 4.550 -0.323 0.000 0.349 224 Y C -0.235 175.289 175.900 -0.626 0.000 1.342 224 Y CA -1.293 56.847 58.100 0.067 0.000 1.093 224 Y CB 0.160 38.729 38.460 0.181 0.000 1.571 224 Y HN -0.326 nan 8.280 nan 0.000 0.438 225 L N -0.725 120.437 121.223 -0.100 0.000 2.425 225 L HA 0.253 4.400 4.340 -0.323 0.000 0.215 225 L C -0.409 176.159 176.870 -0.504 0.000 1.065 225 L CA 0.451 54.955 54.840 -0.560 0.000 0.842 225 L CB 0.524 42.181 42.059 -0.670 0.000 1.033 225 L HN 0.458 nan 8.230 nan 0.000 0.474 226 W N 0.057 121.512 121.300 0.258 0.000 3.129 226 W HA 0.256 4.723 4.660 -0.322 0.000 0.333 226 W C 0.366 176.842 176.519 -0.070 0.000 1.141 226 W CA -0.657 56.778 57.345 0.149 0.000 1.224 226 W CB 1.697 31.253 29.460 0.160 0.000 1.393 226 W HN -0.116 nan 8.180 nan 0.000 0.499 227 E N 0.823 121.094 120.200 0.119 0.000 2.268 227 E HA -0.169 3.987 4.350 -0.323 0.000 0.195 227 E C 1.841 178.241 176.600 -0.332 0.000 0.995 227 E CA 1.097 57.351 56.400 -0.244 0.000 0.836 227 E CB 0.237 29.918 29.700 -0.031 0.000 0.763 227 E HN 0.301 nan 8.360 nan 0.000 0.491 228 K N -0.269 119.949 120.400 -0.304 0.000 2.296 228 K HA -0.015 4.111 4.320 -0.323 0.000 0.200 228 K C -0.202 175.763 176.600 -1.058 0.000 1.048 228 K CA 0.702 56.577 56.287 -0.687 0.000 0.966 228 K CB 0.209 32.206 32.500 -0.839 0.000 0.754 228 K HN 0.098 nan 8.250 nan 0.000 0.466 229 F N 0.089 119.962 119.950 -0.129 0.000 2.749 229 F HA 0.176 4.509 4.527 -0.323 0.000 0.380 229 F C 1.213 176.801 175.800 -0.353 0.000 1.365 229 F CA -0.609 57.306 58.000 -0.143 0.000 1.186 229 F CB 0.642 39.634 39.000 -0.014 0.000 1.080 229 F HN -0.053 nan 8.300 nan 0.000 0.513 230 S N -0.749 114.631 115.700 -0.533 0.000 2.345 230 S HA -0.160 4.116 4.470 -0.323 0.000 0.219 230 S C 1.054 175.122 174.600 -0.885 0.000 1.031 230 S CA 0.650 58.265 58.200 -0.974 0.000 0.984 230 S CB -0.580 61.808 63.200 -1.352 0.000 0.874 230 S HN 0.393 nan 8.310 nan 0.000 0.451 231 N N 1.127 119.541 118.700 -0.477 0.000 2.400 231 N HA 0.023 4.569 4.740 -0.323 0.000 0.278 231 N C -0.491 174.923 175.510 -0.162 0.000 1.247 231 N CA -0.167 52.734 53.050 -0.250 0.000 0.970 231 N CB -0.319 38.100 38.487 -0.114 0.000 1.312 231 N HN 0.307 nan 8.380 nan 0.000 0.488 232 Y N 1.941 122.313 120.300 0.120 0.000 2.553 232 Y HA 0.081 4.437 4.550 -0.323 0.000 0.303 232 Y C 1.478 177.464 175.900 0.143 0.000 1.194 232 Y CA 0.294 58.477 58.100 0.138 0.000 1.305 232 Y CB 0.049 38.614 38.460 0.175 0.000 1.045 232 Y HN 0.534 nan 8.280 nan 0.000 0.514 233 K N -0.603 119.935 120.400 0.230 0.000 2.365 233 K HA 0.061 4.187 4.320 -0.323 0.000 0.197 233 K C 0.236 176.949 176.600 0.187 0.000 1.042 233 K CA 0.578 56.988 56.287 0.206 0.000 0.987 233 K CB 0.136 32.724 32.500 0.146 0.000 0.779 233 K HN 0.022 nan 8.250 nan 0.000 0.484 234 T N 1.683 116.332 114.554 0.159 0.000 2.891 234 T HA 0.035 4.191 4.350 -0.323 0.000 0.315 234 T C 1.105 175.904 174.700 0.165 0.000 1.054 234 T CA -0.314 61.867 62.100 0.136 0.000 0.958 234 T CB 1.266 70.186 68.868 0.087 0.000 1.008 234 T HN 0.178 nan 8.240 nan 0.000 0.521 235 S N 2.953 118.770 115.700 0.196 0.000 2.413 235 S HA -0.274 4.002 4.470 -0.323 0.000 0.237 235 S C 2.427 177.080 174.600 0.089 0.000 1.044 235 S CA 1.087 59.387 58.200 0.167 0.000 1.024 235 S CB -0.541 62.839 63.200 0.301 0.000 0.829 235 S HN 0.775 nan 8.310 nan 0.000 0.475 236 A N 2.371 125.252 122.820 0.102 0.000 2.024 236 A HA -0.147 3.979 4.320 -0.323 0.000 0.220 236 A C 2.061 179.691 177.584 0.078 0.000 1.164 236 A CA 1.663 53.747 52.037 0.079 0.000 0.643 236 A CB -1.057 17.986 19.000 0.072 0.000 0.806 236 A HN 0.746 nan 8.150 nan 0.000 0.451 237 N N -0.380 118.406 118.700 0.143 0.000 2.270 237 N HA -0.007 4.539 4.740 -0.323 0.000 0.181 237 N C 1.544 177.173 175.510 0.198 0.000 1.016 237 N CA 0.926 54.107 53.050 0.217 0.000 0.870 237 N CB -0.189 38.444 38.487 0.243 0.000 0.979 237 N HN 0.465 nan 8.380 nan 0.000 0.431 238 L N 0.132 121.433 121.223 0.131 0.000 2.027 238 L HA -0.111 4.035 4.340 -0.323 0.000 0.206 238 L C 2.215 179.075 176.870 -0.017 0.000 1.074 238 L CA 1.101 55.949 54.840 0.014 0.000 0.745 238 L CB -0.890 41.061 42.059 -0.179 0.000 0.898 238 L HN 0.191 nan 8.230 nan 0.000 0.433 239 T N 0.257 114.779 114.554 -0.054 0.000 2.708 239 T HA -0.176 3.980 4.350 -0.323 0.000 0.266 239 T C 2.045 176.690 174.700 -0.091 0.000 1.037 239 T CA 1.447 63.516 62.100 -0.051 0.000 1.146 239 T CB -0.237 68.620 68.868 -0.018 0.000 0.865 239 T HN 0.437 nan 8.240 nan 0.000 0.435 240 A N 1.299 123.997 122.820 -0.203 0.000 1.883 240 A HA -0.152 3.974 4.320 -0.323 0.000 0.217 240 A C 2.567 179.879 177.584 -0.453 0.000 1.186 240 A CA 2.239 53.992 52.037 -0.473 0.000 0.624 240 A CB -1.372 17.040 19.000 -0.982 0.000 0.822 240 A HN 0.478 nan 8.150 nan 0.000 0.444 241 T N -1.078 113.308 114.554 -0.279 0.000 2.635 241 T HA -0.201 3.956 4.350 -0.323 0.000 0.267 241 T C 1.742 176.364 174.700 -0.131 0.000 1.040 241 T CA 2.001 64.026 62.100 -0.125 0.000 1.156 241 T CB -0.510 68.380 68.868 0.037 0.000 0.863 241 T HN 0.526 nan 8.240 nan 0.000 0.430 242 Y N 1.387 121.659 120.300 -0.047 0.000 2.333 242 Y HA -0.001 4.355 4.550 -0.323 0.000 0.290 242 Y C 2.571 178.420 175.900 -0.086 0.000 1.144 242 Y CA 0.580 58.649 58.100 -0.051 0.000 1.228 242 Y CB -0.314 38.084 38.460 -0.105 0.000 0.985 242 Y HN 0.105 nan 8.280 nan 0.000 0.542 243 R N -0.047 120.446 120.500 -0.012 0.000 2.148 243 R HA -0.114 4.032 4.340 -0.323 0.000 0.227 243 R C 1.982 178.209 176.300 -0.123 0.000 1.103 243 R CA 1.090 57.144 56.100 -0.076 0.000 0.983 243 R CB -0.115 30.107 30.300 -0.131 0.000 0.874 243 R HN 0.318 nan 8.270 nan 0.000 0.451 244 K N 0.436 120.710 120.400 -0.210 0.000 2.155 244 K HA -0.019 4.108 4.320 -0.323 0.000 0.203 244 K C 2.003 178.545 176.600 -0.097 0.000 1.052 244 K CA 0.803 56.928 56.287 -0.269 0.000 0.948 244 K CB 0.063 32.182 32.500 -0.636 0.000 0.728 244 K HN 0.141 nan 8.250 nan 0.000 0.448 245 L N 0.751 121.981 121.223 0.012 0.000 2.056 245 L HA -0.157 3.989 4.340 -0.323 0.000 0.207 245 L C 2.569 179.477 176.870 0.062 0.000 1.078 245 L CA 1.252 56.151 54.840 0.098 0.000 0.749 245 L CB -0.390 41.773 42.059 0.173 0.000 0.901 245 L HN 0.268 nan 8.230 nan 0.000 0.433 246 E N 0.686 120.911 120.200 0.043 0.000 2.077 246 E HA -0.246 3.910 4.350 -0.323 0.000 0.193 246 E C 1.959 178.562 176.600 0.004 0.000 0.989 246 E CA 1.364 57.781 56.400 0.028 0.000 0.800 246 E CB 0.093 29.799 29.700 0.010 0.000 0.746 246 E HN 0.497 nan 8.360 nan 0.000 0.452 247 E N -0.055 120.128 120.200 -0.029 0.000 2.153 247 E HA -0.199 3.957 4.350 -0.323 0.000 0.194 247 E C 2.131 178.716 176.600 -0.025 0.000 0.988 247 E CA 1.160 57.537 56.400 -0.039 0.000 0.811 247 E CB -0.095 29.561 29.700 -0.074 0.000 0.746 247 E HN 0.403 nan 8.360 nan 0.000 0.466 248 M N 0.291 119.876 119.600 -0.026 0.000 2.200 248 M HA -0.078 4.208 4.480 -0.323 0.000 0.265 248 M C 2.465 178.775 176.300 0.016 0.000 1.066 248 M CA 1.113 56.391 55.300 -0.037 0.000 1.127 248 M CB -0.100 32.483 32.600 -0.028 0.000 1.379 248 M HN 0.128 nan 8.290 nan 0.000 0.420 249 A N 0.617 123.469 122.820 0.053 0.000 1.972 249 A HA -0.172 3.954 4.320 -0.323 0.000 0.219 249 A C 2.069 179.716 177.584 0.105 0.000 1.169 249 A CA 1.611 53.709 52.037 0.102 0.000 0.635 249 A CB -0.439 18.631 19.000 0.118 0.000 0.810 249 A HN 0.428 nan 8.150 nan 0.000 0.446 250 K N -0.859 119.582 120.400 0.067 0.000 2.062 250 K HA -0.106 4.020 4.320 -0.323 0.000 0.205 250 K C 2.277 178.935 176.600 0.096 0.000 1.051 250 K CA 1.275 57.603 56.287 0.068 0.000 0.941 250 K CB -0.139 32.375 32.500 0.024 0.000 0.719 250 K HN 0.365 nan 8.250 nan 0.000 0.440 251 Q N 0.583 120.438 119.800 0.093 0.000 2.083 251 Q HA -0.081 4.066 4.340 -0.323 0.000 0.198 251 Q C 2.207 178.324 176.000 0.195 0.000 0.969 251 Q CA 0.855 56.737 55.803 0.132 0.000 0.838 251 Q CB -0.626 28.215 28.738 0.172 0.000 0.900 251 Q HN 0.124 nan 8.270 nan 0.000 0.436 252 V N 2.019 122.035 119.914 0.171 0.000 2.982 252 V HA -0.151 3.775 4.120 -0.323 0.000 0.265 252 V C 1.440 177.726 176.094 0.319 0.000 1.122 252 V CA 2.130 64.543 62.300 0.188 0.000 1.143 252 V CB -0.424 31.431 31.823 0.054 0.000 0.726 252 V HN 0.591 nan 8.190 nan 0.000 0.507 253 T N -3.245 111.500 114.554 0.318 0.000 3.252 253 T HA 0.218 4.375 4.350 -0.323 0.000 0.286 253 T C 0.287 175.131 174.700 0.240 0.000 1.013 253 T CA -0.121 62.205 62.100 0.377 0.000 0.914 253 T CB -0.757 68.279 68.868 0.280 0.000 1.131 253 T HN 0.515 nan 8.240 nan 0.000 0.529 254 N N 1.548 120.327 118.700 0.131 0.000 2.511 254 N HA 0.339 4.885 4.740 -0.323 0.000 0.249 254 N C -2.232 172.991 175.510 -0.477 0.000 0.971 254 N CA -2.389 50.571 53.050 -0.150 0.000 0.938 254 N CB 1.822 40.211 38.487 -0.163 0.000 1.131 254 N HN -0.169 nan 8.380 nan 0.000 0.505 255 P HA -0.133 nan 4.420 nan 0.000 0.218 255 P C 0.348 177.315 177.300 -0.555 0.000 1.146 255 P CA 1.222 63.518 63.100 -1.339 0.000 0.820 255 P CB 0.310 31.553 31.700 -0.762 0.000 0.778 256 S N -2.068 113.420 115.700 -0.354 0.000 2.558 256 S HA 0.056 4.333 4.470 -0.323 0.000 0.217 256 S C 0.997 175.505 174.600 -0.153 0.000 0.975 256 S CA -0.057 58.032 58.200 -0.185 0.000 0.912 256 S CB -0.351 62.799 63.200 -0.084 0.000 0.776 256 S HN 0.129 nan 8.310 nan 0.000 0.526 257 S N 1.689 117.299 115.700 -0.150 0.000 2.592 257 S HA 0.159 4.435 4.470 -0.323 0.000 0.271 257 S C 1.373 175.959 174.600 -0.024 0.000 1.326 257 S CA -0.778 57.389 58.200 -0.054 0.000 1.024 257 S CB 0.614 63.843 63.200 0.049 0.000 0.921 257 S HN 0.530 nan 8.310 nan 0.000 0.527 258 R N 1.957 122.363 120.500 -0.156 0.000 2.280 258 R HA 0.004 4.150 4.340 -0.323 0.000 0.207 258 R C 0.165 176.333 176.300 -0.220 0.000 1.043 258 R CA 1.200 57.155 56.100 -0.241 0.000 1.006 258 R CB -0.418 29.632 30.300 -0.418 0.000 0.885 258 R HN 0.678 nan 8.270 nan 0.000 0.467 259 Y N -0.348 119.990 120.300 0.065 0.000 2.571 259 Y HA 0.154 4.510 4.550 -0.323 0.000 0.275 259 Y C -0.118 175.844 175.900 0.104 0.000 1.179 259 Y CA -1.603 56.531 58.100 0.058 0.000 1.242 259 Y CB -0.361 38.122 38.460 0.039 0.000 1.126 259 Y HN 0.002 nan 8.280 nan 0.000 0.524 260 Y N 2.959 123.315 120.300 0.095 0.000 2.754 260 Y HA 0.071 4.427 4.550 -0.323 0.000 0.349 260 Y C 0.680 176.624 175.900 0.074 0.000 1.179 260 Y CA -0.182 57.963 58.100 0.074 0.000 1.538 260 Y CB -0.602 37.880 38.460 0.038 0.000 1.200 260 Y HN 0.457 nan 8.280 nan 0.000 0.522 261 Q N 2.206 121.874 119.800 -0.220 0.000 2.502 261 Q HA -0.287 3.860 4.340 -0.323 0.000 0.273 261 Q C -0.732 175.183 176.000 -0.141 0.000 1.127 261 Q CA 1.041 56.682 55.803 -0.269 0.000 0.952 261 Q CB -1.151 27.299 28.738 -0.480 0.000 1.333 261 Q HN 0.726 nan 8.270 nan 0.000 0.494 262 D N 0.599 120.963 120.400 -0.060 0.000 2.317 262 D HA 0.049 4.495 4.640 -0.323 0.000 0.252 262 D C 0.787 177.037 176.300 -0.083 0.000 1.174 262 D CA 0.238 54.230 54.000 -0.014 0.000 0.866 262 D CB 0.776 41.642 40.800 0.111 0.000 1.127 262 D HN 0.227 nan 8.370 nan 0.000 0.467 263 E N 1.427 121.581 120.200 -0.077 0.000 2.204 263 E HA -0.123 4.033 4.350 -0.323 0.000 0.195 263 E C 1.475 178.023 176.600 -0.087 0.000 0.990 263 E CA 0.978 57.319 56.400 -0.099 0.000 0.821 263 E CB 0.313 29.974 29.700 -0.065 0.000 0.750 263 E HN 0.484 nan 8.360 nan 0.000 0.477 264 T N 0.496 115.021 114.554 -0.049 0.000 2.737 264 T HA -0.113 4.043 4.350 -0.323 0.000 0.265 264 T C 2.076 176.738 174.700 -0.065 0.000 1.038 264 T CA 1.015 63.090 62.100 -0.042 0.000 1.144 264 T CB -0.093 68.771 68.868 -0.007 0.000 0.866 264 T HN -0.012 nan 8.240 nan 0.000 0.434 265 V N 1.272 121.141 119.914 -0.075 0.000 2.270 265 V HA -0.145 3.781 4.120 -0.323 0.000 0.245 265 V C 2.664 178.682 176.094 -0.126 0.000 1.043 265 V CA 1.292 63.529 62.300 -0.104 0.000 1.014 265 V CB -0.859 30.889 31.823 -0.124 0.000 0.645 265 V HN 0.290 nan 8.190 nan 0.000 0.447 266 V N 0.015 119.807 119.914 -0.203 0.000 2.231 266 V HA -0.346 3.580 4.120 -0.323 0.000 0.248 266 V C 2.598 178.575 176.094 -0.195 0.000 1.054 266 V CA 2.622 64.740 62.300 -0.304 0.000 1.015 266 V CB -0.826 30.694 31.823 -0.506 0.000 0.638 266 V HN 0.457 nan 8.190 nan 0.000 0.444 267 R N -0.478 119.932 120.500 -0.152 0.000 2.091 267 R HA -0.188 3.958 4.340 -0.323 0.000 0.238 267 R C 2.392 178.653 176.300 -0.065 0.000 1.136 267 R CA 2.137 58.177 56.100 -0.099 0.000 0.959 267 R CB -0.514 29.741 30.300 -0.075 0.000 0.856 267 R HN 0.598 nan 8.270 nan 0.000 0.437 268 T N 0.231 114.747 114.554 -0.063 0.000 2.746 268 T HA -0.108 4.048 4.350 -0.323 0.000 0.267 268 T C 1.832 176.528 174.700 -0.007 0.000 1.039 268 T CA 1.509 63.582 62.100 -0.045 0.000 1.142 268 T CB -0.114 68.729 68.868 -0.041 0.000 0.866 268 T HN 0.046 nan 8.240 nan 0.000 0.444 269 V N 1.415 121.338 119.914 0.014 0.000 2.270 269 V HA -0.143 3.783 4.120 -0.323 0.000 0.245 269 V C 2.581 178.751 176.094 0.126 0.000 1.043 269 V CA 1.531 63.887 62.300 0.092 0.000 1.014 269 V CB -0.612 31.291 31.823 0.134 0.000 0.645 269 V HN 0.356 nan 8.190 nan 0.000 0.447 270 R N 0.243 120.786 120.500 0.071 0.000 2.103 270 R HA -0.231 3.915 4.340 -0.323 0.000 0.242 270 R C 2.036 178.395 176.300 0.097 0.000 1.142 270 R CA 2.200 58.341 56.100 0.067 0.000 0.960 270 R CB -0.495 29.737 30.300 -0.113 0.000 0.858 270 R HN 0.525 nan 8.270 nan 0.000 0.439 271 D N -0.466 119.970 120.400 0.060 0.000 2.149 271 D HA -0.034 4.412 4.640 -0.323 0.000 0.201 271 D C 1.861 178.228 176.300 0.112 0.000 0.972 271 D CA 0.989 55.040 54.000 0.084 0.000 0.835 271 D CB 0.036 40.852 40.800 0.028 0.000 0.966 271 D HN 0.013 nan 8.370 nan 0.000 0.476 272 S N -0.158 115.580 115.700 0.063 0.000 2.383 272 S HA -0.088 4.188 4.470 -0.323 0.000 0.227 272 S C 1.866 176.560 174.600 0.155 0.000 1.026 272 S CA 0.683 58.920 58.200 0.062 0.000 0.981 272 S CB -0.030 63.181 63.200 0.017 0.000 0.818 272 S HN 0.221 nan 8.310 nan 0.000 0.472 273 M N 1.077 120.737 119.600 0.099 0.000 2.086 273 M HA -0.061 4.225 4.480 -0.323 0.000 0.261 273 M C 2.253 178.591 176.300 0.063 0.000 1.067 273 M CA 1.441 56.733 55.300 -0.013 0.000 1.116 273 M CB -1.323 31.054 32.600 -0.372 0.000 1.348 273 M HN 0.241 nan 8.290 nan 0.000 0.407 274 E N -0.509 119.795 120.200 0.173 0.000 2.031 274 E HA -0.237 3.919 4.350 -0.323 0.000 0.193 274 E C 1.869 178.709 176.600 0.399 0.000 0.994 274 E CA 1.850 58.503 56.400 0.421 0.000 0.800 274 E CB -0.542 29.382 29.700 0.373 0.000 0.752 274 E HN 0.464 nan 8.360 nan 0.000 0.447 275 W N 0.160 121.571 121.300 0.185 0.000 2.318 275 W HA -0.245 4.221 4.660 -0.323 0.000 0.313 275 W C 2.003 178.656 176.519 0.223 0.000 1.221 275 W CA 2.225 59.695 57.345 0.209 0.000 1.266 275 W CB -0.218 29.297 29.460 0.090 0.000 1.150 275 W HN 0.120 nan 8.180 nan 0.000 0.496 276 M N -0.897 118.976 119.600 0.455 0.000 2.086 276 M HA -0.264 4.022 4.480 -0.323 0.000 0.261 276 M C 2.304 178.725 176.300 0.201 0.000 1.067 276 M CA 2.199 57.661 55.300 0.270 0.000 1.116 276 M CB -2.207 30.535 32.600 0.237 0.000 1.348 276 M HN 0.290 nan 8.290 nan 0.000 0.407 277 H N 0.672 119.885 119.070 0.238 0.000 2.353 277 H HA -0.175 4.187 4.556 -0.323 0.000 0.298 277 H C 1.865 177.203 175.328 0.018 0.000 1.103 277 H CA 1.910 58.091 56.048 0.222 0.000 1.293 277 H CB 0.234 30.245 29.762 0.414 0.000 1.372 277 H HN 0.361 nan 8.280 nan 0.000 0.501 278 K N -0.576 119.682 120.400 -0.237 0.000 2.007 278 K HA -0.111 4.015 4.320 -0.323 0.000 0.206 278 K C 1.606 177.768 176.600 -0.731 0.000 1.047 278 K CA 1.636 57.587 56.287 -0.560 0.000 0.937 278 K CB -0.038 32.102 32.500 -0.601 0.000 0.718 278 K HN 0.518 nan 8.250 nan 0.000 0.438 279 H N -1.311 117.426 119.070 -0.555 0.000 2.652 279 H HA 0.148 4.510 4.556 -0.323 0.000 0.274 279 H C 0.932 176.026 175.328 -0.390 0.000 1.021 279 H CA -0.036 55.667 56.048 -0.575 0.000 1.187 279 H CB 0.853 30.010 29.762 -1.008 0.000 1.505 279 H HN -0.083 nan 8.280 nan 0.000 0.530 280 V N -1.685 118.115 119.914 -0.190 0.000 3.219 280 V HA 0.072 3.998 4.120 -0.323 0.000 0.214 280 V C -1.062 175.101 176.094 0.114 0.000 1.433 280 V CA -0.094 62.151 62.300 -0.092 0.000 1.301 280 V CB 0.722 32.337 31.823 -0.346 0.000 1.160 280 V HN 0.162 nan 8.190 nan 0.000 0.505 281 Y N 4.488 124.810 120.300 0.037 0.000 2.426 281 Y HA 0.652 5.008 4.550 -0.323 0.000 0.325 281 Y C -0.319 175.708 175.900 0.212 0.000 0.989 281 Y CA -1.241 56.951 58.100 0.154 0.000 1.284 281 Y CB 0.701 39.287 38.460 0.210 0.000 1.104 281 Y HN 0.526 nan 8.280 nan 0.000 0.481 282 N N 0.959 119.578 118.700 -0.135 0.000 3.243 282 N HA 0.178 4.724 4.740 -0.323 0.000 0.280 282 N C -0.386 175.024 175.510 -0.168 0.000 1.545 282 N CA -0.800 52.168 53.050 -0.137 0.000 0.854 282 N CB 1.261 39.654 38.487 -0.157 0.000 1.612 282 N HN 0.198 nan 8.380 nan 0.000 0.577 283 S N -0.096 115.498 115.700 -0.176 0.000 2.469 283 S HA -0.088 4.188 4.470 -0.323 0.000 0.238 283 S C 1.085 175.556 174.600 -0.216 0.000 0.998 283 S CA 1.060 59.103 58.200 -0.262 0.000 0.957 283 S CB -0.362 62.725 63.200 -0.188 0.000 0.764 283 S HN 0.506 nan 8.310 nan 0.000 0.514 284 E N 0.736 120.860 120.200 -0.128 0.000 2.299 284 E HA 0.058 4.215 4.350 -0.323 0.000 0.193 284 E C 0.916 177.509 176.600 -0.011 0.000 0.998 284 E CA 0.373 56.726 56.400 -0.079 0.000 0.851 284 E CB 0.225 29.878 29.700 -0.078 0.000 0.795 284 E HN 0.336 nan 8.360 nan 0.000 0.492 285 K N 0.692 121.131 120.400 0.066 0.000 2.090 285 K HA 0.253 4.379 4.320 -0.323 0.000 0.250 285 K C -0.564 176.233 176.600 0.328 0.000 1.004 285 K CA -0.240 56.176 56.287 0.216 0.000 0.919 285 K CB 1.255 33.956 32.500 0.336 0.000 1.045 285 K HN -0.158 nan 8.250 nan 0.000 0.471 286 S N 1.422 117.304 115.700 0.303 0.000 2.621 286 S HA 0.414 4.690 4.470 -0.323 0.000 0.302 286 S C -0.234 174.446 174.600 0.134 0.000 1.093 286 S CA -0.795 57.572 58.200 0.277 0.000 1.017 286 S CB 0.853 64.132 63.200 0.133 0.000 1.077 286 S HN 0.487 nan 8.310 nan 0.000 0.517 287 I N 2.475 123.006 120.570 -0.065 0.000 2.664 287 I HA 0.062 4.038 4.170 -0.323 0.000 0.284 287 I C -0.827 175.068 176.117 -0.371 0.000 1.154 287 I CA 0.221 61.082 61.300 -0.731 0.000 1.402 287 I CB 0.043 37.769 38.000 -0.457 0.000 1.395 287 I HN 0.152 nan 8.210 nan 0.000 0.545 288 V N 6.875 126.580 119.914 -0.348 0.000 2.443 288 V HA 0.784 4.710 4.120 -0.323 0.000 0.293 288 V C 0.569 176.746 176.094 0.138 0.000 1.021 288 V CA 0.220 62.537 62.300 0.028 0.000 0.848 288 V CB 0.713 32.639 31.823 0.171 0.000 0.998 288 V HN 1.141 nan 8.190 nan 0.000 0.424 289 G N 5.512 114.377 108.800 0.109 0.000 2.846 289 G HA2 -0.190 3.576 3.960 -0.323 0.000 0.225 289 G HA3 -0.190 3.576 3.960 -0.323 0.000 0.225 289 G C -0.324 174.661 174.900 0.141 0.000 1.285 289 G CA 0.100 45.291 45.100 0.150 0.000 1.055 289 G HN 0.842 nan 8.290 nan 0.000 0.579 290 N N 1.687 120.491 118.700 0.172 0.000 2.437 290 N HA 0.345 4.891 4.740 -0.323 0.000 0.259 290 N C 1.479 177.063 175.510 0.123 0.000 0.983 290 N CA -0.111 53.011 53.050 0.120 0.000 0.937 290 N CB 0.319 38.830 38.487 0.041 0.000 1.122 290 N HN 0.753 nan 8.380 nan 0.000 0.499 291 W N 3.208 124.578 121.300 0.115 0.000 2.325 291 W HA -0.191 4.274 4.660 -0.324 0.000 0.299 291 W C 1.155 177.761 176.519 0.145 0.000 1.215 291 W CA 0.190 57.580 57.345 0.074 0.000 1.244 291 W CB -1.162 28.358 29.460 0.099 0.000 1.140 291 W HN 0.657 nan 8.180 nan 0.000 0.523 292 W N 3.106 123.636 121.300 -1.283 0.000 2.305 292 W HA -0.244 4.222 4.660 -0.322 0.000 0.308 292 W C 2.146 178.387 176.519 -0.462 0.000 1.226 292 W CA 2.846 59.423 57.345 -1.281 0.000 1.253 292 W CB -0.526 28.187 29.460 -1.246 0.000 1.146 292 W HN -0.126 nan 8.180 nan 0.000 0.507 293 D N -1.252 119.093 120.400 -0.092 0.000 2.097 293 D HA -0.226 4.220 4.640 -0.323 0.000 0.195 293 D C 1.826 177.958 176.300 -0.280 0.000 0.989 293 D CA 1.788 55.703 54.000 -0.142 0.000 0.827 293 D CB -0.764 40.050 40.800 0.024 0.000 0.966 293 D HN 0.251 nan 8.370 nan 0.000 0.456 294 Y N 1.266 121.395 120.300 -0.285 0.000 2.373 294 Y HA 0.010 4.366 4.550 -0.323 0.000 0.293 294 Y C 2.243 178.041 175.900 -0.170 0.000 1.129 294 Y CA 0.614 58.536 58.100 -0.296 0.000 1.226 294 Y CB -0.054 38.055 38.460 -0.586 0.000 1.000 294 Y HN 0.030 nan 8.280 nan 0.000 0.549 295 E N -1.112 119.100 120.200 0.019 0.000 2.340 295 E HA 0.131 4.288 4.350 -0.323 0.000 0.198 295 E C 1.325 177.874 176.600 -0.086 0.000 0.961 295 E CA 0.626 57.102 56.400 0.127 0.000 0.905 295 E CB 0.361 30.323 29.700 0.435 0.000 0.884 295 E HN 0.429 nan 8.360 nan 0.000 0.491 296 I N -1.000 119.229 120.570 -0.568 0.000 3.746 296 I HA 0.130 4.106 4.170 -0.323 0.000 0.262 296 I C 2.294 177.897 176.117 -0.857 0.000 1.153 296 I CA 0.407 61.269 61.300 -0.731 0.000 1.395 296 I CB -0.326 36.991 38.000 -1.138 0.000 1.589 296 I HN 0.012 nan 8.210 nan 0.000 0.441 297 G N 1.167 109.076 108.800 -1.484 0.000 2.480 297 G HA2 -0.226 3.540 3.960 -0.323 0.000 0.216 297 G HA3 -0.226 3.540 3.960 -0.323 0.000 0.216 297 G C 1.587 176.223 174.900 -0.441 0.000 1.200 297 G CA 1.976 46.517 45.100 -0.933 0.000 0.782 297 G HN 0.246 nan 8.290 nan 0.000 0.554 298 T N 1.931 116.209 114.554 -0.460 0.000 2.737 298 T HA -0.031 4.126 4.350 -0.323 0.000 0.265 298 T C 0.255 174.696 174.700 -0.431 0.000 1.038 298 T CA 1.533 63.354 62.100 -0.466 0.000 1.144 298 T CB -0.831 67.566 68.868 -0.785 0.000 0.866 298 T HN 0.209 nan 8.240 nan 0.000 0.434 299 P HA -0.038 nan 4.420 nan 0.000 0.216 299 P C 1.508 178.729 177.300 -0.132 0.000 1.150 299 P CA 1.130 64.143 63.100 -0.146 0.000 0.837 299 P CB 0.016 31.700 31.700 -0.027 0.000 0.786 300 R N -0.455 119.962 120.500 -0.138 0.000 2.070 300 R HA -0.090 4.056 4.340 -0.323 0.000 0.232 300 R C 2.353 178.631 176.300 -0.036 0.000 1.138 300 R CA 1.699 57.769 56.100 -0.050 0.000 0.936 300 R CB -1.303 28.976 30.300 -0.035 0.000 0.839 300 R HN 0.103 nan 8.270 nan 0.000 0.429 301 A N 1.113 123.885 122.820 -0.081 0.000 1.958 301 A HA -0.209 3.917 4.320 -0.323 0.000 0.221 301 A C 2.164 179.707 177.584 -0.069 0.000 1.178 301 A CA 1.577 53.584 52.037 -0.049 0.000 0.642 301 A CB -0.655 18.328 19.000 -0.029 0.000 0.816 301 A HN 0.265 nan 8.150 nan 0.000 0.453 302 I N -0.391 120.070 120.570 -0.183 0.000 2.252 302 I HA -0.222 3.754 4.170 -0.323 0.000 0.245 302 I C 2.179 178.239 176.117 -0.095 0.000 1.102 302 I CA 1.050 62.229 61.300 -0.202 0.000 1.385 302 I CB -0.416 37.392 38.000 -0.319 0.000 1.064 302 I HN 0.298 nan 8.210 nan 0.000 0.414 303 N N 1.195 119.869 118.700 -0.044 0.000 2.084 303 N HA -0.159 4.387 4.740 -0.323 0.000 0.190 303 N C 1.544 177.113 175.510 0.098 0.000 1.030 303 N CA 1.328 54.388 53.050 0.016 0.000 0.849 303 N CB -0.609 37.896 38.487 0.030 0.000 1.012 303 N HN 0.326 nan 8.380 nan 0.000 0.423 304 N N 0.064 118.849 118.700 0.142 0.000 2.244 304 N HA -0.051 4.495 4.740 -0.323 0.000 0.183 304 N C 1.547 177.110 175.510 0.089 0.000 1.016 304 N CA 0.929 54.081 53.050 0.169 0.000 0.866 304 N CB -0.625 37.937 38.487 0.125 0.000 0.980 304 N HN 0.257 nan 8.380 nan 0.000 0.430 305 T N 1.501 116.080 114.554 0.042 0.000 2.812 305 T HA 0.092 4.248 4.350 -0.323 0.000 0.264 305 T C 2.084 176.789 174.700 0.007 0.000 1.042 305 T CA 0.535 62.659 62.100 0.039 0.000 1.140 305 T CB -0.060 68.822 68.868 0.023 0.000 0.870 305 T HN 0.121 nan 8.240 nan 0.000 0.445 306 L N 0.601 121.770 121.223 -0.089 0.000 2.109 306 L HA -0.016 4.130 4.340 -0.323 0.000 0.207 306 L C 2.867 179.741 176.870 0.007 0.000 1.086 306 L CA 0.847 55.572 54.840 -0.191 0.000 0.760 306 L CB -0.609 41.303 42.059 -0.245 0.000 0.910 306 L HN 0.268 nan 8.230 nan 0.000 0.437 307 S N 0.412 116.160 115.700 0.079 0.000 2.356 307 S HA -0.155 4.121 4.470 -0.323 0.000 0.223 307 S C 2.048 176.743 174.600 0.159 0.000 1.032 307 S CA 1.223 59.516 58.200 0.155 0.000 1.005 307 S CB -0.210 63.163 63.200 0.289 0.000 0.867 307 S HN 0.277 nan 8.310 nan 0.000 0.449 308 L N 0.265 121.577 121.223 0.149 0.000 2.042 308 L HA 0.017 4.163 4.340 -0.323 0.000 0.210 308 L C 1.798 178.791 176.870 0.205 0.000 1.076 308 L CA 1.199 56.130 54.840 0.152 0.000 0.749 308 L CB -0.253 41.884 42.059 0.131 0.000 0.893 308 L HN 0.378 nan 8.230 nan 0.000 0.432 309 M N -0.180 119.587 119.600 0.278 0.000 2.866 309 M HA 0.059 4.345 4.480 -0.323 0.000 0.319 309 M C 1.264 177.821 176.300 0.428 0.000 1.244 309 M CA -0.033 55.536 55.300 0.448 0.000 0.974 309 M CB 0.350 33.365 32.600 0.692 0.000 1.291 309 M HN 0.110 nan 8.290 nan 0.000 0.513 310 K N -0.139 120.400 120.400 0.232 0.000 2.442 310 K HA -0.107 4.019 4.320 -0.323 0.000 0.198 310 K C 0.597 177.270 176.600 0.121 0.000 1.044 310 K CA 1.127 57.532 56.287 0.196 0.000 0.948 310 K CB -0.105 32.468 32.500 0.121 0.000 0.762 310 K HN 0.492 nan 8.250 nan 0.000 0.472 311 E N -0.059 120.120 120.200 -0.036 0.000 2.479 311 E HA -0.029 4.127 4.350 -0.323 0.000 0.193 311 E C -0.017 176.365 176.600 -0.364 0.000 1.049 311 E CA 0.293 56.544 56.400 -0.248 0.000 0.870 311 E CB 0.145 29.593 29.700 -0.420 0.000 0.944 311 E HN 0.444 nan 8.360 nan 0.000 0.492 312 Y N -0.984 119.359 120.300 0.071 0.000 2.682 312 Y HA 0.309 4.665 4.550 -0.323 0.000 0.251 312 Y C -0.375 175.298 175.900 -0.378 0.000 1.172 312 Y CA -0.503 57.517 58.100 -0.134 0.000 1.186 312 Y CB 0.426 38.774 38.460 -0.186 0.000 1.216 312 Y HN -0.137 nan 8.280 nan 0.000 0.540 313 F N -1.026 119.017 119.950 0.154 0.000 2.578 313 F HA 0.469 4.802 4.527 -0.323 0.000 0.311 313 F C 0.278 176.128 175.800 0.085 0.000 1.094 313 F CA -1.262 56.820 58.000 0.136 0.000 0.923 313 F CB 1.731 40.821 39.000 0.151 0.000 1.230 313 F HN -0.330 nan 8.300 nan 0.000 0.450 314 S N 1.042 116.897 115.700 0.258 0.000 2.617 314 S HA 0.136 4.412 4.470 -0.323 0.000 0.269 314 S C 0.857 175.534 174.600 0.129 0.000 1.292 314 S CA -0.514 57.773 58.200 0.144 0.000 1.010 314 S CB 0.703 63.962 63.200 0.097 0.000 0.944 314 S HN 0.666 nan 8.310 nan 0.000 0.536 315 D N 1.881 122.320 120.400 0.065 0.000 2.117 315 D HA -0.120 4.326 4.640 -0.323 0.000 0.197 315 D C 1.720 178.022 176.300 0.002 0.000 0.987 315 D CA 1.381 55.397 54.000 0.025 0.000 0.829 315 D CB -0.239 40.558 40.800 -0.006 0.000 0.961 315 D HN 0.843 nan 8.370 nan 0.000 0.460 316 E N 0.777 120.978 120.200 0.001 0.000 2.058 316 E HA -0.215 3.941 4.350 -0.323 0.000 0.194 316 E C 1.772 178.338 176.600 -0.057 0.000 0.997 316 E CA 1.158 57.539 56.400 -0.031 0.000 0.801 316 E CB 0.127 29.814 29.700 -0.020 0.000 0.746 316 E HN 0.312 nan 8.360 nan 0.000 0.450 317 E N 0.229 120.433 120.200 0.006 0.000 2.072 317 E HA -0.165 3.991 4.350 -0.323 0.000 0.191 317 E C 2.249 178.824 176.600 -0.042 0.000 0.985 317 E CA 1.151 57.544 56.400 -0.012 0.000 0.801 317 E CB -0.087 29.783 29.700 0.284 0.000 0.750 317 E HN 0.376 nan 8.360 nan 0.000 0.452 318 I N 1.377 121.979 120.570 0.055 0.000 2.208 318 I HA -0.314 3.662 4.170 -0.323 0.000 0.245 318 I C 2.620 178.699 176.117 -0.063 0.000 1.097 318 I CA 1.204 62.510 61.300 0.010 0.000 1.363 318 I CB -0.247 37.758 38.000 0.008 0.000 1.051 318 I HN 0.061 nan 8.210 nan 0.000 0.413 319 K N 1.552 121.898 120.400 -0.090 0.000 2.057 319 K HA -0.256 3.870 4.320 -0.323 0.000 0.207 319 K C 2.234 178.730 176.600 -0.172 0.000 1.049 319 K CA 1.587 57.806 56.287 -0.114 0.000 0.931 319 K CB -0.066 32.371 32.500 -0.105 0.000 0.714 319 K HN 0.133 nan 8.250 nan 0.000 0.440 320 K N -0.277 119.959 120.400 -0.274 0.000 2.009 320 K HA -0.188 3.939 4.320 -0.323 0.000 0.210 320 K C 1.783 178.045 176.600 -0.564 0.000 1.049 320 K CA 1.762 57.769 56.287 -0.468 0.000 0.929 320 K CB -0.203 31.888 32.500 -0.682 0.000 0.714 320 K HN 0.191 nan 8.250 nan 0.000 0.440 321 Y N 0.400 120.553 120.300 -0.245 0.000 2.616 321 Y HA -0.055 4.301 4.550 -0.323 0.000 0.296 321 Y C 2.024 177.841 175.900 -0.138 0.000 1.154 321 Y CA 1.212 59.176 58.100 -0.227 0.000 1.325 321 Y CB -0.129 38.228 38.460 -0.171 0.000 1.007 321 Y HN 0.274 nan 8.280 nan 0.000 0.542 322 T N -5.280 109.259 114.554 -0.025 0.000 3.054 322 T HA 0.086 4.242 4.350 -0.323 0.000 0.255 322 T C 1.063 175.743 174.700 -0.033 0.000 1.035 322 T CA 0.046 62.136 62.100 -0.017 0.000 0.941 322 T CB 0.049 68.896 68.868 -0.035 0.000 1.026 322 T HN -0.026 nan 8.240 nan 0.000 0.533 323 D N 1.490 121.851 120.400 -0.065 0.000 2.178 323 D HA -0.039 4.407 4.640 -0.323 0.000 0.202 323 D C 2.110 178.372 176.300 -0.063 0.000 0.974 323 D CA 0.576 54.534 54.000 -0.070 0.000 0.841 323 D CB -0.206 40.543 40.800 -0.085 0.000 0.953 323 D HN 0.311 nan 8.370 nan 0.000 0.478 324 V N 0.712 120.595 119.914 -0.051 0.000 2.626 324 V HA -0.149 3.777 4.120 -0.323 0.000 0.252 324 V C 2.063 178.170 176.094 0.023 0.000 1.067 324 V CA 0.915 63.151 62.300 -0.107 0.000 1.081 324 V CB -0.245 31.428 31.823 -0.249 0.000 0.686 324 V HN 0.140 nan 8.190 nan 0.000 0.468 325 I N -0.207 120.412 120.570 0.082 0.000 2.252 325 I HA -0.102 3.874 4.170 -0.323 0.000 0.245 325 I C 2.427 178.605 176.117 0.102 0.000 1.102 325 I CA 1.271 62.660 61.300 0.149 0.000 1.385 325 I CB -0.397 37.656 38.000 0.088 0.000 1.064 325 I HN 0.303 nan 8.210 nan 0.000 0.414 326 E N 0.790 121.002 120.200 0.020 0.000 2.347 326 E HA -0.154 4.002 4.350 -0.323 0.000 0.196 326 E C 1.890 178.466 176.600 -0.040 0.000 1.008 326 E CA 0.481 56.874 56.400 -0.012 0.000 0.852 326 E CB -0.126 29.550 29.700 -0.040 0.000 0.783 326 E HN 0.355 nan 8.360 nan 0.000 0.505 327 K N 0.498 120.845 120.400 -0.088 0.000 1.991 327 K HA -0.055 4.071 4.320 -0.323 0.000 0.207 327 K C 1.817 178.285 176.600 -0.219 0.000 1.045 327 K CA 0.890 57.039 56.287 -0.230 0.000 0.937 327 K CB -0.244 32.002 32.500 -0.423 0.000 0.720 327 K HN 0.053 nan 8.250 nan 0.000 0.438 328 F N 0.615 120.595 119.950 0.049 0.000 2.456 328 F HA -0.006 4.328 4.527 -0.323 0.000 0.298 328 F C 1.085 176.953 175.800 0.113 0.000 1.104 328 F CA 0.382 58.448 58.000 0.110 0.000 1.435 328 F CB 0.336 39.462 39.000 0.210 0.000 1.078 328 F HN -0.257 nan 8.300 nan 0.000 0.546 329 V N 2.041 122.095 119.914 0.233 0.000 2.384 329 V HA 0.172 4.098 4.120 -0.323 0.000 0.257 329 V C -1.706 174.406 176.094 0.030 0.000 0.969 329 V CA -0.847 61.535 62.300 0.137 0.000 0.910 329 V CB 0.746 32.671 31.823 0.170 0.000 1.150 329 V HN -0.064 nan 8.190 nan 0.000 0.481 330 P HA 0.042 nan 4.420 nan 0.000 0.226 330 P C 0.194 177.464 177.300 -0.050 0.000 1.161 330 P CA 0.763 63.843 63.100 -0.034 0.000 0.804 330 P CB 0.746 32.420 31.700 -0.043 0.000 0.829 331 D N 1.059 121.421 120.400 -0.063 0.000 2.303 331 D HA 0.166 4.612 4.640 -0.323 0.000 0.236 331 D C -1.769 174.456 176.300 -0.125 0.000 1.068 331 D CA -2.856 51.105 54.000 -0.065 0.000 0.830 331 D CB 1.290 42.075 40.800 -0.025 0.000 1.109 331 D HN -0.063 nan 8.370 nan 0.000 0.496 332 P HA -0.031 nan 4.420 nan 0.000 0.251 332 P C -0.060 177.116 177.300 -0.207 0.000 1.251 332 P CA 0.696 63.700 63.100 -0.160 0.000 0.763 332 P CB 0.309 31.952 31.700 -0.095 0.000 1.067 333 E N -1.757 118.316 120.200 -0.212 0.000 2.541 333 E HA 0.088 4.245 4.350 -0.323 0.000 0.219 333 E C -0.193 176.025 176.600 -0.636 0.000 0.922 333 E CA -0.047 56.153 56.400 -0.333 0.000 1.095 333 E CB 0.320 29.879 29.700 -0.235 0.000 1.112 333 E HN 0.440 nan 8.360 nan 0.000 0.516 334 H N -1.125 117.713 119.070 -0.387 0.000 2.821 334 H HA 0.442 4.804 4.556 -0.323 0.000 0.373 334 H C -1.252 173.695 175.328 -0.635 0.000 1.165 334 H CA -0.552 55.220 56.048 -0.460 0.000 1.154 334 H CB 1.254 30.853 29.762 -0.271 0.000 1.765 334 H HN -0.148 nan 8.280 nan 0.000 0.549 335 F N 0.488 120.100 119.950 -0.564 0.000 2.538 335 F HA 0.431 4.764 4.527 -0.324 0.000 0.325 335 F C 0.679 176.232 175.800 -0.412 0.000 1.066 335 F CA -0.878 56.803 58.000 -0.532 0.000 0.946 335 F CB 1.474 39.942 39.000 -0.886 0.000 1.199 335 F HN 0.555 nan 8.300 nan 0.000 0.473 336 R N 0.482 121.022 120.500 0.067 0.000 3.770 336 R HA -0.242 3.904 4.340 -0.323 0.000 0.305 336 R C 1.276 177.600 176.300 0.041 0.000 1.184 336 R CA 0.850 56.974 56.100 0.039 0.000 0.823 336 R CB -1.207 29.035 30.300 -0.096 0.000 1.285 336 R HN 0.663 nan 8.270 nan 0.000 0.499 337 K N 0.569 120.992 120.400 0.038 0.000 2.360 337 K HA -0.069 4.057 4.320 -0.323 0.000 0.201 337 K C 0.878 177.486 176.600 0.013 0.000 1.046 337 K CA 1.618 57.899 56.287 -0.010 0.000 0.945 337 K CB 0.169 32.646 32.500 -0.037 0.000 0.750 337 K HN 0.201 nan 8.250 nan 0.000 0.464 338 T N 0.337 114.934 114.554 0.073 0.000 3.105 338 T HA 0.016 4.172 4.350 -0.323 0.000 0.253 338 T C 0.303 175.048 174.700 0.076 0.000 1.047 338 T CA 0.300 62.447 62.100 0.077 0.000 0.944 338 T CB 0.409 69.362 68.868 0.143 0.000 1.016 338 T HN 0.412 nan 8.240 nan 0.000 0.544 339 T N -0.131 114.460 114.554 0.062 0.000 2.922 339 T HA 0.330 4.486 4.350 -0.323 0.000 0.281 339 T C 0.287 175.001 174.700 0.023 0.000 1.005 339 T CA -0.828 61.300 62.100 0.047 0.000 0.982 339 T CB 1.279 70.171 68.868 0.041 0.000 1.158 339 T HN 0.054 nan 8.240 nan 0.000 0.566 340 D N -0.244 120.167 120.400 0.018 0.000 2.434 340 D HA 0.078 4.524 4.640 -0.323 0.000 0.232 340 D C 0.120 176.425 176.300 0.007 0.000 1.166 340 D CA -0.268 53.738 54.000 0.010 0.000 0.830 340 D CB -0.498 40.308 40.800 0.010 0.000 0.960 340 D HN 0.507 nan 8.370 nan 0.000 0.497 341 N N 0.778 119.485 118.700 0.010 0.000 2.805 341 N HA 0.174 4.720 4.740 -0.323 0.000 0.216 341 N C -3.155 172.387 175.510 0.053 0.000 1.447 341 N CA -0.828 52.233 53.050 0.018 0.000 0.785 341 N CB 1.288 39.773 38.487 -0.003 0.000 1.458 341 N HN -0.095 nan 8.380 nan 0.000 0.547 342 P HA 0.409 nan 4.420 nan 0.000 0.276 342 P C -0.884 176.545 177.300 0.215 0.000 1.244 342 P CA -0.148 63.001 63.100 0.082 0.000 0.801 342 P CB 0.437 32.131 31.700 -0.009 0.000 1.006 343 F N -1.430 118.550 119.950 0.050 0.000 2.613 343 F HA 0.639 4.972 4.527 -0.323 0.000 0.314 343 F C -0.356 175.491 175.800 0.078 0.000 1.075 343 F CA -1.681 56.360 58.000 0.068 0.000 0.945 343 F CB 1.524 40.511 39.000 -0.023 0.000 1.310 343 F HN 0.022 nan 8.300 nan 0.000 0.467 344 K N 2.301 122.737 120.400 0.060 0.000 2.339 344 K HA 0.602 4.728 4.320 -0.323 0.000 0.286 344 K C -0.284 176.225 176.600 -0.152 0.000 1.050 344 K CA -0.309 55.789 56.287 -0.315 0.000 0.956 344 K CB 0.881 33.269 32.500 -0.186 0.000 0.990 344 K HN 0.946 nan 8.250 nan 0.000 0.475 345 A N 5.761 128.389 122.820 -0.321 0.000 2.454 345 A HA 0.334 4.460 4.320 -0.323 0.000 0.260 345 A C -0.603 176.999 177.584 0.030 0.000 1.106 345 A CA -0.210 51.785 52.037 -0.070 0.000 0.780 345 A CB -0.092 18.774 19.000 -0.223 0.000 1.044 345 A HN 0.741 nan 8.150 nan 0.000 0.498 346 L N 2.571 123.888 121.223 0.157 0.000 2.401 346 L HA 0.624 4.770 4.340 -0.323 0.000 0.266 346 L C 1.254 178.199 176.870 0.126 0.000 0.991 346 L CA -0.148 54.755 54.840 0.106 0.000 0.818 346 L CB 1.902 44.011 42.059 0.084 0.000 1.321 346 L HN 1.129 nan 8.230 nan 0.000 0.413 347 G N 1.945 110.797 108.800 0.087 0.000 2.692 347 G HA2 -0.383 3.383 3.960 -0.323 0.000 0.339 347 G HA3 -0.383 3.383 3.960 -0.323 0.000 0.339 347 G C 0.961 175.936 174.900 0.124 0.000 1.226 347 G CA 0.816 45.970 45.100 0.090 0.000 0.979 347 G HN 1.001 nan 8.290 nan 0.000 0.549 348 G N 1.407 110.298 108.800 0.151 0.000 2.491 348 G HA2 -0.254 3.512 3.960 -0.323 0.000 0.218 348 G HA3 -0.254 3.512 3.960 -0.323 0.000 0.218 348 G C 1.523 176.547 174.900 0.208 0.000 1.180 348 G CA 2.139 47.341 45.100 0.169 0.000 0.774 348 G HN 1.379 nan 8.290 nan 0.000 0.562 349 N N 0.551 119.418 118.700 0.279 0.000 2.364 349 N HA -0.051 4.495 4.740 -0.323 0.000 0.183 349 N C 1.771 177.508 175.510 0.379 0.000 1.022 349 N CA 0.625 53.901 53.050 0.377 0.000 0.883 349 N CB -0.499 38.309 38.487 0.536 0.000 0.965 349 N HN 0.218 nan 8.380 nan 0.000 0.438 350 L N 0.884 122.258 121.223 0.252 0.000 2.191 350 L HA -0.043 4.103 4.340 -0.323 0.000 0.212 350 L C 2.312 179.276 176.870 0.157 0.000 1.103 350 L CA 1.021 55.962 54.840 0.168 0.000 0.769 350 L CB -1.088 41.034 42.059 0.105 0.000 0.908 350 L HN 0.397 nan 8.230 nan 0.000 0.438 351 V N -3.076 116.935 119.914 0.161 0.000 2.453 351 V HA -0.169 3.757 4.120 -0.323 0.000 0.247 351 V C 2.097 178.284 176.094 0.156 0.000 1.048 351 V CA 1.618 64.002 62.300 0.140 0.000 1.049 351 V CB -0.501 31.398 31.823 0.127 0.000 0.672 351 V HN 0.277 nan 8.190 nan 0.000 0.457 352 D N -0.070 120.456 120.400 0.209 0.000 2.117 352 D HA -0.157 4.289 4.640 -0.323 0.000 0.198 352 D C 2.048 178.490 176.300 0.237 0.000 0.982 352 D CA 1.976 56.107 54.000 0.219 0.000 0.828 352 D CB -0.125 40.824 40.800 0.248 0.000 0.967 352 D HN 0.502 nan 8.370 nan 0.000 0.464 353 M N 1.015 120.794 119.600 0.299 0.000 2.082 353 M HA -0.091 4.195 4.480 -0.323 0.000 0.258 353 M C 2.013 178.344 176.300 0.052 0.000 1.069 353 M CA 1.853 57.245 55.300 0.154 0.000 1.102 353 M CB -0.883 31.716 32.600 -0.002 0.000 1.336 353 M HN 0.002 nan 8.290 nan 0.000 0.404 354 G N -0.720 108.108 108.800 0.046 0.000 2.418 354 G HA2 -0.210 3.557 3.960 -0.323 0.000 0.217 354 G HA3 -0.210 3.557 3.960 -0.323 0.000 0.217 354 G C 1.737 176.590 174.900 -0.078 0.000 1.158 354 G CA 0.713 45.804 45.100 -0.014 0.000 0.771 354 G HN 0.488 nan 8.290 nan 0.000 0.545 355 R N -0.426 120.062 120.500 -0.020 0.000 2.152 355 R HA 0.004 4.150 4.340 -0.323 0.000 0.232 355 R C 2.446 178.711 176.300 -0.059 0.000 1.117 355 R CA 1.010 57.082 56.100 -0.046 0.000 0.981 355 R CB -0.149 30.212 30.300 0.102 0.000 0.870 355 R HN 0.370 nan 8.270 nan 0.000 0.451 356 V N 0.270 120.178 119.914 -0.010 0.000 2.575 356 V HA -0.076 3.851 4.120 -0.323 0.000 0.242 356 V C 1.890 177.963 176.094 -0.035 0.000 1.045 356 V CA 1.330 63.627 62.300 -0.005 0.000 1.065 356 V CB -0.071 31.791 31.823 0.064 0.000 0.717 356 V HN 0.194 nan 8.190 nan 0.000 0.467 357 K N -0.255 120.120 120.400 -0.042 0.000 2.141 357 K HA 0.053 4.179 4.320 -0.323 0.000 0.202 357 K C 2.105 178.653 176.600 -0.087 0.000 1.045 357 K CA 0.718 56.972 56.287 -0.056 0.000 0.971 357 K CB -0.167 32.302 32.500 -0.051 0.000 0.795 357 K HN 0.201 nan 8.250 nan 0.000 0.459 358 V N 2.697 122.544 119.914 -0.112 0.000 2.252 358 V HA -0.309 3.617 4.120 -0.323 0.000 0.249 358 V C 2.316 178.298 176.094 -0.186 0.000 1.056 358 V CA 1.667 63.884 62.300 -0.139 0.000 1.022 358 V CB -0.436 31.283 31.823 -0.173 0.000 0.641 358 V HN 0.258 nan 8.190 nan 0.000 0.445 359 I N 0.563 120.961 120.570 -0.287 0.000 2.127 359 I HA -0.229 3.747 4.170 -0.323 0.000 0.241 359 I C 2.690 178.716 176.117 -0.152 0.000 1.075 359 I CA 2.167 63.276 61.300 -0.318 0.000 1.334 359 I CB -1.815 35.938 38.000 -0.412 0.000 1.040 359 I HN 0.340 nan 8.210 nan 0.000 0.405 360 A N 0.915 123.670 122.820 -0.109 0.000 2.015 360 A HA -0.032 4.094 4.320 -0.323 0.000 0.219 360 A C 2.488 180.031 177.584 -0.068 0.000 1.163 360 A CA 1.547 53.542 52.037 -0.071 0.000 0.646 360 A CB -1.230 17.739 19.000 -0.051 0.000 0.806 360 A HN 0.459 nan 8.150 nan 0.000 0.448 361 G N 0.075 108.835 108.800 -0.066 0.000 2.421 361 G HA2 -0.183 3.583 3.960 -0.323 0.000 0.216 361 G HA3 -0.183 3.583 3.960 -0.323 0.000 0.216 361 G C 1.544 176.428 174.900 -0.026 0.000 1.171 361 G CA 1.104 46.178 45.100 -0.043 0.000 0.775 361 G HN 0.440 nan 8.290 nan 0.000 0.543 362 L N -0.187 121.034 121.223 -0.002 0.000 2.005 362 L HA 0.062 4.208 4.340 -0.323 0.000 0.207 362 L C 2.910 179.771 176.870 -0.016 0.000 1.072 362 L CA 0.446 55.336 54.840 0.083 0.000 0.744 362 L CB -0.498 41.610 42.059 0.082 0.000 0.895 362 L HN 0.146 nan 8.230 nan 0.000 0.433 363 L N -0.297 120.906 121.223 -0.034 0.000 2.089 363 L HA -0.256 3.890 4.340 -0.323 0.000 0.213 363 L C 2.496 179.307 176.870 -0.098 0.000 1.079 363 L CA 1.482 56.295 54.840 -0.044 0.000 0.758 363 L CB -0.356 41.679 42.059 -0.039 0.000 0.891 363 L HN 0.270 nan 8.230 nan 0.000 0.433 364 R N -0.446 119.978 120.500 -0.126 0.000 2.312 364 R HA 0.068 4.215 4.340 -0.323 0.000 0.205 364 R C 0.139 176.276 176.300 -0.272 0.000 0.904 364 R CA -0.114 55.891 56.100 -0.158 0.000 1.052 364 R CB 0.251 30.483 30.300 -0.114 0.000 1.014 364 R HN 0.130 nan 8.270 nan 0.000 0.503 365 K N 1.607 121.737 120.400 -0.450 0.000 3.096 365 K HA -0.168 3.958 4.320 -0.323 0.000 0.266 365 K C -0.785 175.541 176.600 -0.456 0.000 1.043 365 K CA 0.787 56.481 56.287 -0.988 0.000 0.758 365 K CB -1.117 30.769 32.500 -1.024 0.000 1.260 365 K HN 0.179 nan 8.250 nan 0.000 0.481 366 D N 0.948 121.236 120.400 -0.187 0.000 2.454 366 D HA 0.130 4.576 4.640 -0.323 0.000 0.225 366 D C 0.584 176.907 176.300 0.038 0.000 1.081 366 D CA -0.420 53.544 54.000 -0.060 0.000 0.864 366 D CB 0.866 41.629 40.800 -0.062 0.000 1.040 366 D HN 0.010 nan 8.370 nan 0.000 0.517 367 D N 2.498 122.952 120.400 0.090 0.000 2.144 367 D HA -0.145 4.301 4.640 -0.323 0.000 0.200 367 D C 1.604 177.929 176.300 0.042 0.000 0.978 367 D CA 1.025 55.088 54.000 0.105 0.000 0.833 367 D CB 0.485 41.346 40.800 0.103 0.000 0.961 367 D HN 0.621 nan 8.370 nan 0.000 0.470 368 Q N 0.545 120.357 119.800 0.019 0.000 2.020 368 Q HA -0.178 3.968 4.340 -0.323 0.000 0.202 368 Q C 2.164 178.161 176.000 -0.006 0.000 0.982 368 Q CA 1.117 56.921 55.803 0.002 0.000 0.838 368 Q CB -0.218 28.515 28.738 -0.008 0.000 0.899 368 Q HN 0.387 nan 8.270 nan 0.000 0.423 369 E N 0.940 121.132 120.200 -0.013 0.000 2.097 369 E HA -0.227 3.929 4.350 -0.323 0.000 0.196 369 E C 1.942 178.530 176.600 -0.019 0.000 1.000 369 E CA 1.089 57.476 56.400 -0.023 0.000 0.804 369 E CB -0.125 29.556 29.700 -0.031 0.000 0.740 369 E HN 0.331 nan 8.360 nan 0.000 0.454 370 I N 1.047 121.615 120.570 -0.003 0.000 2.113 370 I HA -0.302 3.675 4.170 -0.323 0.000 0.238 370 I C 2.813 178.926 176.117 -0.007 0.000 1.070 370 I CA 1.531 62.830 61.300 -0.001 0.000 1.332 370 I CB -0.507 37.512 38.000 0.032 0.000 1.044 370 I HN 0.252 nan 8.210 nan 0.000 0.402 371 S N -0.167 115.532 115.700 -0.002 0.000 2.382 371 S HA -0.156 4.120 4.470 -0.323 0.000 0.228 371 S C 2.100 176.694 174.600 -0.010 0.000 1.027 371 S CA 1.508 59.704 58.200 -0.007 0.000 0.991 371 S CB -0.551 62.646 63.200 -0.005 0.000 0.823 371 S HN 0.323 nan 8.310 nan 0.000 0.469 372 S N 1.763 117.455 115.700 -0.013 0.000 2.343 372 S HA -0.090 4.187 4.470 -0.323 0.000 0.219 372 S C 2.160 176.748 174.600 -0.020 0.000 1.033 372 S CA 1.771 59.960 58.200 -0.017 0.000 1.014 372 S CB -1.116 62.069 63.200 -0.023 0.000 0.915 372 S HN 0.737 nan 8.310 nan 0.000 0.435 373 T N 2.869 117.408 114.554 -0.026 0.000 2.635 373 T HA -0.103 4.053 4.350 -0.323 0.000 0.267 373 T C 1.757 176.454 174.700 -0.006 0.000 1.040 373 T CA 1.587 63.670 62.100 -0.029 0.000 1.156 373 T CB -0.583 68.262 68.868 -0.037 0.000 0.863 373 T HN 0.318 nan 8.240 nan 0.000 0.430 374 I N 0.577 121.147 120.570 -0.000 0.000 2.179 374 I HA -0.194 3.782 4.170 -0.323 0.000 0.242 374 I C 2.790 178.927 176.117 0.034 0.000 1.088 374 I CA 1.382 62.694 61.300 0.021 0.000 1.357 374 I CB -0.414 37.589 38.000 0.004 0.000 1.051 374 I HN 0.124 nan 8.210 nan 0.000 0.409 375 R N 0.079 120.588 120.500 0.015 0.000 2.117 375 R HA -0.180 3.966 4.340 -0.323 0.000 0.243 375 R C 2.569 178.890 176.300 0.035 0.000 1.143 375 R CA 1.772 57.883 56.100 0.019 0.000 0.968 375 R CB -0.436 29.866 30.300 0.004 0.000 0.863 375 R HN 0.274 nan 8.270 nan 0.000 0.444 376 S N 0.258 115.971 115.700 0.020 0.000 2.371 376 S HA -0.008 4.268 4.470 -0.323 0.000 0.224 376 S C 1.895 176.526 174.600 0.051 0.000 1.029 376 S CA 0.552 58.760 58.200 0.013 0.000 0.978 376 S CB 0.018 63.199 63.200 -0.031 0.000 0.833 376 S HN 0.136 nan 8.310 nan 0.000 0.466 377 I N 2.208 122.822 120.570 0.074 0.000 2.335 377 I HA -0.141 3.835 4.170 -0.323 0.000 0.251 377 I C 2.143 178.398 176.117 0.230 0.000 1.129 377 I CA 1.363 62.741 61.300 0.129 0.000 1.402 377 I CB -1.346 36.745 38.000 0.152 0.000 1.069 377 I HN 0.481 nan 8.210 nan 0.000 0.424 378 E N 0.393 120.744 120.200 0.251 0.000 2.333 378 E HA -0.229 3.927 4.350 -0.323 0.000 0.198 378 E C 2.006 178.787 176.600 0.302 0.000 1.007 378 E CA 0.489 57.119 56.400 0.383 0.000 0.845 378 E CB -0.095 29.718 29.700 0.188 0.000 0.766 378 E HN 0.611 nan 8.360 nan 0.000 0.507 379 Q N 0.205 120.106 119.800 0.169 0.000 2.133 379 Q HA -0.185 3.961 4.340 -0.323 0.000 0.208 379 Q C 2.438 178.524 176.000 0.144 0.000 0.991 379 Q CA 2.028 57.904 55.803 0.121 0.000 0.867 379 Q CB -0.423 28.353 28.738 0.064 0.000 0.911 379 Q HN 0.354 nan 8.270 nan 0.000 0.417 380 V N -2.596 117.389 119.914 0.119 0.000 3.383 380 V HA -0.083 3.843 4.120 -0.323 0.000 0.272 380 V C 0.821 176.999 176.094 0.139 0.000 1.181 380 V CA 1.015 63.365 62.300 0.083 0.000 1.171 380 V CB -0.694 31.118 31.823 -0.018 0.000 0.800 380 V HN 0.127 nan 8.190 nan 0.000 0.515 381 F N 2.646 122.768 119.950 0.287 0.000 2.949 381 F HA 0.438 4.771 4.527 -0.322 0.000 0.291 381 F C 0.908 176.807 175.800 0.164 0.000 1.214 381 F CA -0.603 57.526 58.000 0.215 0.000 1.381 381 F CB -0.238 38.783 39.000 0.034 0.000 1.066 381 F HN 0.376 nan 8.300 nan 0.000 0.520 382 K N -0.789 119.827 120.400 0.359 0.000 2.395 382 K HA 0.763 4.889 4.320 -0.323 0.000 0.245 382 K C -1.649 175.133 176.600 0.304 0.000 1.017 382 K CA -1.136 55.298 56.287 0.244 0.000 0.852 382 K CB 2.077 34.669 32.500 0.154 0.000 1.311 382 K HN -0.039 nan 8.250 nan 0.000 0.452 383 L N 1.518 122.852 121.223 0.184 0.000 2.334 383 L HA 0.532 4.679 4.340 -0.323 0.000 0.273 383 L C -0.727 176.144 176.870 0.002 0.000 1.013 383 L CA -0.598 54.340 54.840 0.164 0.000 0.816 383 L CB 1.990 44.115 42.059 0.109 0.000 1.278 383 L HN 0.694 nan 8.230 nan 0.000 0.431 384 V N -0.141 119.668 119.914 -0.176 0.000 3.158 384 V HA 0.762 4.688 4.120 -0.323 0.000 0.315 384 V C -0.587 175.205 176.094 -0.503 0.000 1.148 384 V CA -0.270 61.833 62.300 -0.327 0.000 1.042 384 V CB 2.028 33.611 31.823 -0.399 0.000 1.101 384 V HN 0.829 nan 8.190 nan 0.000 0.448 385 D N -1.143 119.075 120.400 -0.303 0.000 2.525 385 D HA 0.255 4.702 4.640 -0.323 0.000 0.231 385 D C 0.222 176.608 176.300 0.142 0.000 1.216 385 D CA 0.170 54.145 54.000 -0.041 0.000 0.813 385 D CB 0.455 41.281 40.800 0.043 0.000 1.108 385 D HN 0.763 nan 8.370 nan 0.000 0.524 386 Q N -0.048 119.759 119.800 0.012 0.000 2.426 386 Q HA 0.454 4.601 4.340 -0.323 0.000 0.278 386 Q C 0.001 176.039 176.000 0.063 0.000 1.007 386 Q CA -0.128 55.753 55.803 0.131 0.000 0.850 386 Q CB 1.791 30.574 28.738 0.075 0.000 1.427 386 Q HN 0.197 nan 8.270 nan 0.000 0.391 387 G N 2.001 110.873 108.800 0.119 0.000 2.645 387 G HA2 -0.263 3.503 3.960 -0.323 0.000 0.239 387 G HA3 -0.263 3.503 3.960 -0.323 0.000 0.239 387 G C -0.820 174.077 174.900 -0.005 0.000 1.331 387 G CA 0.004 45.127 45.100 0.038 0.000 0.890 387 G HN 0.691 nan 8.290 nan 0.000 0.572 388 E N 0.726 120.866 120.200 -0.100 0.000 2.413 388 E HA 0.440 4.596 4.350 -0.323 0.000 0.263 388 E C 0.744 177.148 176.600 -0.326 0.000 1.015 388 E CA 0.881 57.136 56.400 -0.240 0.000 0.916 388 E CB 0.645 30.218 29.700 -0.213 0.000 0.947 388 E HN 1.975 nan 8.360 nan 0.000 0.440 389 G N 1.243 109.667 108.800 -0.625 0.000 2.354 389 G HA2 -0.067 3.699 3.960 -0.323 0.000 0.582 389 G HA3 -0.067 3.699 3.960 -0.323 0.000 0.582 389 G C -1.262 173.348 174.900 -0.483 0.000 1.316 389 G CA -1.178 43.599 45.100 -0.538 0.000 0.995 389 G HN 0.286 nan 8.290 nan 0.000 0.573 390 F N 0.063 119.975 119.950 -0.063 0.000 2.384 390 F HA 0.709 5.040 4.527 -0.327 0.000 0.338 390 F C 0.584 176.413 175.800 0.049 0.000 1.103 390 F CA 0.022 58.085 58.000 0.105 0.000 1.157 390 F CB 0.971 39.960 39.000 -0.018 0.000 1.167 390 F HN 0.444 nan 8.300 nan 0.000 0.529 391 Y N 0.351 120.837 120.300 0.309 0.000 2.602 391 Y HA 0.219 4.583 4.550 -0.311 0.000 0.330 391 Y C 1.319 177.382 175.900 0.273 0.000 1.114 391 Y CA -0.743 57.493 58.100 0.226 0.000 1.182 391 Y CB 0.979 39.529 38.460 0.150 0.000 1.305 391 Y HN 0.558 nan 8.280 nan 0.000 0.502 392 Q N 0.310 120.326 119.800 0.360 0.000 2.167 392 Q HA -0.169 3.977 4.340 -0.323 0.000 0.202 392 Q C 0.852 177.061 176.000 0.347 0.000 0.970 392 Q CA 1.791 57.764 55.803 0.284 0.000 0.855 392 Q CB 0.016 28.853 28.738 0.165 0.000 0.911 392 Q HN 0.835 nan 8.270 nan 0.000 0.438 393 D N -2.165 118.421 120.400 0.310 0.000 2.363 393 D HA 0.028 4.474 4.640 -0.323 0.000 0.226 393 D C 1.027 177.532 176.300 0.342 0.000 1.020 393 D CA 0.910 55.051 54.000 0.236 0.000 0.892 393 D CB 0.103 40.981 40.800 0.130 0.000 0.900 393 D HN 0.338 nan 8.370 nan 0.000 0.531 394 G N -0.799 108.262 108.800 0.436 0.000 2.194 394 G HA2 -0.278 3.488 3.960 -0.323 0.000 0.236 394 G HA3 -0.278 3.488 3.960 -0.323 0.000 0.236 394 G C 0.532 175.641 174.900 0.349 0.000 0.987 394 G CA 0.166 45.546 45.100 0.467 0.000 0.635 394 G HN 0.441 nan 8.290 nan 0.000 0.520 395 S N -0.557 115.342 115.700 0.331 0.000 2.587 395 S HA 0.520 4.796 4.470 -0.323 0.000 0.260 395 S C -0.381 174.320 174.600 0.169 0.000 1.353 395 S CA 0.606 58.826 58.200 0.034 0.000 0.995 395 S CB 1.156 64.306 63.200 -0.084 0.000 0.912 395 S HN 1.022 nan 8.310 nan 0.000 0.568 396 Y N 0.697 120.906 120.300 -0.151 0.000 2.401 396 Y HA 0.532 4.884 4.550 -0.329 0.000 0.330 396 Y C -1.630 174.163 175.900 -0.179 0.000 1.071 396 Y CA -0.842 57.123 58.100 -0.225 0.000 1.049 396 Y CB 0.681 38.785 38.460 -0.593 0.000 1.239 396 Y HN 0.416 nan 8.280 nan 0.000 0.437 397 I N 5.816 126.013 120.570 -0.623 0.000 2.474 397 I HA 0.422 4.398 4.170 -0.323 0.000 0.294 397 I C -0.712 175.040 176.117 -0.607 0.000 1.005 397 I CA -0.426 60.634 61.300 -0.401 0.000 1.113 397 I CB 1.780 39.700 38.000 -0.133 0.000 1.289 397 I HN 0.725 nan 8.210 nan 0.000 0.436 398 D N 3.062 123.288 120.400 -0.290 0.000 2.610 398 D HA 0.334 4.780 4.640 -0.323 0.000 0.271 398 D C -0.290 175.957 176.300 -0.089 0.000 1.174 398 D CA -0.244 53.586 54.000 -0.284 0.000 0.949 398 D CB 1.608 42.195 40.800 -0.356 0.000 1.430 398 D HN 0.643 nan 8.370 nan 0.000 0.467 399 H N 0.455 119.367 119.070 -0.265 0.000 2.692 399 H HA -0.234 4.129 4.556 -0.322 0.000 0.316 399 H C 0.428 175.688 175.328 -0.114 0.000 1.176 399 H CA 0.560 56.489 56.048 -0.200 0.000 1.142 399 H CB -0.974 28.688 29.762 -0.166 0.000 1.475 399 H HN 0.550 nan 8.280 nan 0.000 0.423 400 T N -1.313 113.238 114.554 -0.005 0.000 13.633 400 T HA -0.308 3.848 4.350 -0.323 0.000 0.418 400 T C 0.785 175.481 174.700 -0.008 0.000 1.445 400 T CA 1.730 63.821 62.100 -0.015 0.000 2.355 400 T CB -0.992 67.868 68.868 -0.013 0.000 2.781 400 T HN 0.686 nan 8.240 nan 0.000 0.495 401 N N 1.169 119.874 118.700 0.007 0.000 2.547 401 N HA 0.456 5.003 4.740 -0.323 0.000 0.285 401 N C -1.039 174.471 175.510 -0.000 0.000 1.600 401 N CA -0.215 52.838 53.050 0.006 0.000 0.872 401 N CB 0.310 38.814 38.487 0.029 0.000 1.412 401 N HN 0.538 nan 8.380 nan 0.000 0.489 402 V N 0.475 120.384 119.914 -0.008 0.000 2.513 402 V HA 0.792 4.719 4.120 -0.323 0.000 0.299 402 V C 0.363 176.398 176.094 -0.098 0.000 1.035 402 V CA -1.215 61.051 62.300 -0.057 0.000 0.889 402 V CB 1.497 33.293 31.823 -0.044 0.000 0.988 402 V HN 0.451 nan 8.190 nan 0.000 0.440 403 A N 3.582 126.302 122.820 -0.167 0.000 2.451 403 A HA 0.502 4.628 4.320 -0.323 0.000 0.266 403 A C -0.430 177.022 177.584 -0.220 0.000 1.119 403 A CA 0.340 52.280 52.037 -0.162 0.000 0.786 403 A CB -0.306 18.597 19.000 -0.162 0.000 1.061 403 A HN 0.837 nan 8.150 nan 0.000 0.503 404 Y N 1.560 121.843 120.300 -0.029 0.000 2.830 404 Y HA 0.097 4.459 4.550 -0.313 0.000 0.255 404 Y C 1.933 177.839 175.900 0.011 0.000 1.130 404 Y CA 0.194 58.312 58.100 0.030 0.000 1.217 404 Y CB -0.072 38.438 38.460 0.083 0.000 1.296 404 Y HN 0.739 nan 8.280 nan 0.000 0.571 405 T N -1.313 113.273 114.554 0.054 0.000 2.685 405 T HA -0.244 3.912 4.350 -0.323 0.000 0.268 405 T C 2.104 176.745 174.700 -0.098 0.000 1.034 405 T CA 1.876 63.838 62.100 -0.231 0.000 1.149 405 T CB -0.454 68.173 68.868 -0.401 0.000 0.860 405 T HN 0.575 nan 8.240 nan 0.000 0.449 406 G N -0.369 108.419 108.800 -0.019 0.000 2.956 406 G HA2 0.379 4.145 3.960 -0.323 0.000 0.207 406 G HA3 0.379 4.145 3.960 -0.323 0.000 0.207 406 G C 0.899 175.825 174.900 0.042 0.000 1.162 406 G CA 0.717 45.831 45.100 0.024 0.000 0.796 406 G HN 0.649 nan 8.290 nan 0.000 0.527 407 A N -0.714 122.142 122.820 0.061 0.000 1.749 407 A HA 0.395 4.522 4.320 -0.323 0.000 0.187 407 A C 1.537 178.938 177.584 -0.305 0.000 1.742 407 A CA 0.076 52.050 52.037 -0.106 0.000 1.133 407 A CB -0.386 18.584 19.000 -0.049 0.000 0.996 407 A HN 0.078 nan 8.150 nan 0.000 0.585 408 Y N 1.401 121.522 120.300 -0.298 0.000 2.373 408 Y HA 0.056 4.410 4.550 -0.327 0.000 0.293 408 Y C 2.632 178.344 175.900 -0.314 0.000 1.129 408 Y CA 1.300 59.212 58.100 -0.314 0.000 1.226 408 Y CB -0.261 37.950 38.460 -0.414 0.000 1.000 408 Y HN 0.414 nan 8.280 nan 0.000 0.549 409 G N -0.146 108.457 108.800 -0.329 0.000 2.408 409 G HA2 -0.268 3.498 3.960 -0.323 0.000 0.217 409 G HA3 -0.268 3.498 3.960 -0.323 0.000 0.217 409 G C 1.464 176.341 174.900 -0.038 0.000 1.150 409 G CA 1.093 45.813 45.100 -0.634 0.000 0.776 409 G HN 0.304 nan 8.290 nan 0.000 0.542 410 N N 0.584 119.282 118.700 -0.003 0.000 2.007 410 N HA -0.139 4.407 4.740 -0.323 0.000 0.197 410 N C 2.235 177.691 175.510 -0.089 0.000 1.050 410 N CA 1.568 54.597 53.050 -0.034 0.000 0.856 410 N CB -0.801 37.642 38.487 -0.073 0.000 1.050 410 N HN 0.122 nan 8.380 nan 0.000 0.423 411 V N 0.906 120.751 119.914 -0.116 0.000 2.660 411 V HA -0.167 3.759 4.120 -0.323 0.000 0.257 411 V C 2.125 178.202 176.094 -0.028 0.000 1.088 411 V CA 1.062 63.312 62.300 -0.083 0.000 1.106 411 V CB -0.593 31.162 31.823 -0.113 0.000 0.686 411 V HN 0.290 nan 8.190 nan 0.000 0.481 412 L N -0.983 120.222 121.223 -0.030 0.000 2.131 412 L HA 0.051 4.197 4.340 -0.323 0.000 0.206 412 L C 2.091 178.982 176.870 0.036 0.000 1.087 412 L CA 1.367 56.212 54.840 0.008 0.000 0.767 412 L CB 0.053 42.095 42.059 -0.028 0.000 0.917 412 L HN 0.267 nan 8.230 nan 0.000 0.441 413 I N -1.233 119.334 120.570 -0.005 0.000 3.035 413 I HA -0.147 3.829 4.170 -0.323 0.000 0.271 413 I C 1.770 177.847 176.117 -0.066 0.000 1.190 413 I CA 0.904 62.181 61.300 -0.039 0.000 1.472 413 I CB 0.206 38.032 38.000 -0.289 0.000 1.116 413 I HN 0.304 nan 8.210 nan 0.000 0.443 414 D N 0.336 120.686 120.400 -0.083 0.000 2.120 414 D HA -0.094 4.352 4.640 -0.323 0.000 0.202 414 D C 2.110 178.409 176.300 -0.001 0.000 0.972 414 D CA 1.580 55.543 54.000 -0.060 0.000 0.837 414 D CB -0.177 40.577 40.800 -0.076 0.000 0.989 414 D HN 0.300 nan 8.370 nan 0.000 0.469 415 G N 0.105 108.918 108.800 0.021 0.000 2.403 415 G HA2 -0.153 3.614 3.960 -0.323 0.000 0.216 415 G HA3 -0.153 3.614 3.960 -0.323 0.000 0.216 415 G C 1.522 176.485 174.900 0.105 0.000 1.154 415 G CA 0.586 45.728 45.100 0.069 0.000 0.784 415 G HN 0.326 nan 8.290 nan 0.000 0.538 416 L N 1.899 123.181 121.223 0.098 0.000 2.156 416 L HA 0.021 4.167 4.340 -0.323 0.000 0.208 416 L C 3.031 179.984 176.870 0.138 0.000 1.095 416 L CA 2.079 56.999 54.840 0.133 0.000 0.770 416 L CB -0.299 41.846 42.059 0.144 0.000 0.914 416 L HN 0.321 nan 8.230 nan 0.000 0.439 417 S N -2.020 113.738 115.700 0.098 0.000 2.474 417 S HA -0.209 4.068 4.470 -0.323 0.000 0.235 417 S C 1.905 176.562 174.600 0.095 0.000 0.997 417 S CA 0.930 59.179 58.200 0.082 0.000 0.949 417 S CB -0.450 62.772 63.200 0.037 0.000 0.766 417 S HN 0.635 nan 8.310 nan 0.000 0.517 418 Q N 0.326 120.198 119.800 0.121 0.000 2.187 418 Q HA 0.159 4.305 4.340 -0.323 0.000 0.199 418 Q C 1.959 178.150 176.000 0.318 0.000 0.957 418 Q CA 1.034 56.941 55.803 0.173 0.000 0.857 418 Q CB -0.088 28.757 28.738 0.178 0.000 0.929 418 Q HN 0.622 nan 8.270 nan 0.000 0.453 419 L N -0.459 120.919 121.223 0.258 0.000 2.168 419 L HA -0.080 4.067 4.340 -0.323 0.000 0.203 419 L C 2.156 179.117 176.870 0.152 0.000 1.078 419 L CA 0.030 54.996 54.840 0.210 0.000 0.780 419 L CB -0.284 41.844 42.059 0.115 0.000 0.939 419 L HN 0.188 nan 8.230 nan 0.000 0.451 420 L N 0.798 122.105 121.223 0.141 0.000 2.011 420 L HA -0.242 3.904 4.340 -0.323 0.000 0.225 420 L C -0.414 176.505 176.870 0.082 0.000 1.084 420 L CA 2.534 57.436 54.840 0.105 0.000 0.791 420 L CB -1.391 40.729 42.059 0.101 0.000 0.898 420 L HN 0.119 nan 8.230 nan 0.000 0.440 421 P HA -0.195 nan 4.420 nan 0.000 0.217 421 P C 1.765 179.117 177.300 0.087 0.000 1.148 421 P CA 1.555 64.707 63.100 0.087 0.000 0.834 421 P CB -0.022 31.739 31.700 0.102 0.000 0.783 422 V N -1.397 118.582 119.914 0.108 0.000 2.379 422 V HA -0.159 3.767 4.120 -0.323 0.000 0.243 422 V C 2.233 178.345 176.094 0.030 0.000 1.035 422 V CA 1.288 63.638 62.300 0.083 0.000 1.035 422 V CB -1.013 30.863 31.823 0.088 0.000 0.673 422 V HN -0.034 nan 8.190 nan 0.000 0.457 423 I N 0.290 120.873 120.570 0.023 0.000 2.208 423 I HA -0.245 3.731 4.170 -0.323 0.000 0.245 423 I C 2.575 178.684 176.117 -0.013 0.000 1.097 423 I CA 1.554 62.854 61.300 -0.000 0.000 1.363 423 I CB -0.618 37.389 38.000 0.011 0.000 1.051 423 I HN 0.302 nan 8.210 nan 0.000 0.413 424 Q N 0.444 120.240 119.800 -0.006 0.000 2.224 424 Q HA -0.106 4.040 4.340 -0.323 0.000 0.203 424 Q C 1.617 177.607 176.000 -0.017 0.000 0.970 424 Q CA 1.079 56.871 55.803 -0.019 0.000 0.865 424 Q CB -0.298 28.433 28.738 -0.011 0.000 0.922 424 Q HN 0.547 nan 8.270 nan 0.000 0.445 425 K N 1.390 121.786 120.400 -0.007 0.000 2.469 425 K HA 0.073 4.199 4.320 -0.323 0.000 0.201 425 K C 0.819 177.398 176.600 -0.034 0.000 1.028 425 K CA 0.097 56.376 56.287 -0.013 0.000 1.170 425 K CB 0.328 32.830 32.500 0.003 0.000 0.874 425 K HN 0.237 nan 8.250 nan 0.000 0.507 426 T N -2.101 112.430 114.554 -0.039 0.000 2.884 426 T HA 0.244 4.400 4.350 -0.323 0.000 0.277 426 T C 0.959 175.623 174.700 -0.060 0.000 0.976 426 T CA -0.816 61.248 62.100 -0.060 0.000 0.956 426 T CB 1.256 70.095 68.868 -0.047 0.000 1.113 426 T HN -0.220 nan 8.240 nan 0.000 0.554 427 K N 0.484 120.843 120.400 -0.068 0.000 2.487 427 K HA 0.126 4.252 4.320 -0.323 0.000 0.192 427 K C -0.101 176.474 176.600 -0.043 0.000 1.027 427 K CA 0.281 56.534 56.287 -0.057 0.000 1.054 427 K CB -0.632 31.832 32.500 -0.060 0.000 0.824 427 K HN 0.572 nan 8.250 nan 0.000 0.510 428 N N 1.158 119.834 118.700 -0.041 0.000 2.818 428 N HA 0.185 4.731 4.740 -0.323 0.000 0.301 428 N C -2.823 172.660 175.510 -0.045 0.000 1.821 428 N CA -1.252 51.776 53.050 -0.037 0.000 0.930 428 N CB 1.088 39.557 38.487 -0.029 0.000 1.263 428 N HN -0.070 nan 8.380 nan 0.000 0.487 429 P HA 0.025 nan 4.420 nan 0.000 0.270 429 P C -0.265 176.983 177.300 -0.088 0.000 1.223 429 P CA -0.241 62.822 63.100 -0.062 0.000 0.785 429 P CB 0.928 32.594 31.700 -0.056 0.000 0.923 430 I N 2.495 122.990 120.570 -0.126 0.000 2.325 430 I HA 0.082 4.058 4.170 -0.323 0.000 0.291 430 I C 0.367 176.354 176.117 -0.218 0.000 1.019 430 I CA -0.278 60.899 61.300 -0.206 0.000 1.302 430 I CB 0.070 37.873 38.000 -0.328 0.000 1.401 430 I HN 0.418 nan 8.210 nan 0.000 0.485 431 D N 6.891 127.178 120.400 -0.188 0.000 2.844 431 D HA -0.189 4.257 4.640 -0.323 0.000 0.217 431 D C 0.895 177.088 176.300 -0.178 0.000 1.121 431 D CA 0.809 54.716 54.000 -0.154 0.000 0.829 431 D CB 0.936 41.656 40.800 -0.134 0.000 1.194 431 D HN 0.585 nan 8.370 nan 0.000 0.513 432 K N 1.943 122.274 120.400 -0.115 0.000 2.288 432 K HA -0.084 4.042 4.320 -0.323 0.000 0.201 432 K C 1.085 177.631 176.600 -0.090 0.000 1.048 432 K CA 0.728 56.961 56.287 -0.090 0.000 0.956 432 K CB 0.255 32.729 32.500 -0.043 0.000 0.746 432 K HN 0.438 nan 8.250 nan 0.000 0.461 433 D N 0.685 121.029 120.400 -0.093 0.000 2.347 433 D HA -0.057 4.389 4.640 -0.323 0.000 0.215 433 D C 1.266 177.498 176.300 -0.113 0.000 0.976 433 D CA 0.867 54.821 54.000 -0.077 0.000 0.884 433 D CB 0.332 41.100 40.800 -0.054 0.000 0.915 433 D HN 0.244 nan 8.370 nan 0.000 0.526 434 K N -0.196 120.090 120.400 -0.190 0.000 2.276 434 K HA 0.129 4.256 4.320 -0.323 0.000 0.198 434 K C 2.005 178.387 176.600 -0.363 0.000 1.052 434 K CA -0.004 56.131 56.287 -0.254 0.000 0.984 434 K CB 0.262 32.504 32.500 -0.431 0.000 0.836 434 K HN -0.036 nan 8.250 nan 0.000 0.490 435 M N 1.399 120.758 119.600 -0.400 0.000 2.086 435 M HA -0.129 4.157 4.480 -0.323 0.000 0.261 435 M C 1.967 177.958 176.300 -0.515 0.000 1.067 435 M CA 1.633 56.658 55.300 -0.458 0.000 1.116 435 M CB -0.746 31.680 32.600 -0.290 0.000 1.348 435 M HN 0.101 nan 8.290 nan 0.000 0.407 436 Q N -0.671 119.031 119.800 -0.163 0.000 2.297 436 Q HA -0.101 4.046 4.340 -0.323 0.000 0.208 436 Q C 1.948 177.896 176.000 -0.087 0.000 0.981 436 Q CA 1.502 57.352 55.803 0.078 0.000 0.876 436 Q CB -0.783 28.007 28.738 0.087 0.000 0.921 436 Q HN 0.529 nan 8.270 nan 0.000 0.446 437 T N 0.863 115.248 114.554 -0.282 0.000 2.812 437 T HA -0.013 4.143 4.350 -0.323 0.000 0.264 437 T C 1.905 176.042 174.700 -0.937 0.000 1.042 437 T CA 0.575 62.411 62.100 -0.439 0.000 1.140 437 T CB -0.058 68.579 68.868 -0.386 0.000 0.870 437 T HN 0.198 nan 8.240 nan 0.000 0.445 438 M N 0.177 119.146 119.600 -1.050 0.000 2.082 438 M HA -0.162 4.124 4.480 -0.323 0.000 0.258 438 M C 2.069 178.075 176.300 -0.490 0.000 1.069 438 M CA 1.886 56.541 55.300 -1.076 0.000 1.102 438 M CB -0.496 31.711 32.600 -0.656 0.000 1.336 438 M HN 0.314 nan 8.290 nan 0.000 0.404 439 Y N -1.201 118.980 120.300 -0.198 0.000 2.207 439 Y HA -0.274 4.081 4.550 -0.325 0.000 0.287 439 Y C 2.567 178.448 175.900 -0.032 0.000 1.156 439 Y CA 1.352 59.411 58.100 -0.069 0.000 1.182 439 Y CB -1.391 37.038 38.460 -0.052 0.000 0.979 439 Y HN 0.389 nan 8.280 nan 0.000 0.521 440 H N -0.922 118.140 119.070 -0.013 0.000 2.387 440 H HA -0.195 4.166 4.556 -0.324 0.000 0.299 440 H C 1.581 176.984 175.328 0.125 0.000 1.090 440 H CA 1.828 57.895 56.048 0.030 0.000 1.332 440 H CB -0.157 29.595 29.762 -0.017 0.000 1.386 440 H HN 0.315 nan 8.280 nan 0.000 0.516 441 W N 1.060 122.362 121.300 0.003 0.000 2.355 441 W HA -0.109 4.358 4.660 -0.322 0.000 0.309 441 W C 2.655 179.210 176.519 0.060 0.000 1.206 441 W CA 0.254 57.505 57.345 -0.156 0.000 1.284 441 W CB -1.178 28.005 29.460 -0.462 0.000 1.145 441 W HN 0.177 nan 8.180 nan 0.000 0.502 442 I N 0.369 121.180 120.570 0.402 0.000 2.127 442 I HA -0.313 3.663 4.170 -0.323 0.000 0.241 442 I C 2.006 178.240 176.117 0.196 0.000 1.075 442 I CA 1.790 63.304 61.300 0.356 0.000 1.334 442 I CB -0.643 37.487 38.000 0.216 0.000 1.040 442 I HN -0.108 nan 8.210 nan 0.000 0.405 443 D N 0.344 120.791 120.400 0.079 0.000 2.194 443 D HA -0.126 4.321 4.640 -0.323 0.000 0.204 443 D C 2.060 178.314 176.300 -0.076 0.000 0.964 443 D CA 1.064 55.048 54.000 -0.026 0.000 0.846 443 D CB 0.062 40.820 40.800 -0.070 0.000 0.962 443 D HN 0.160 nan 8.370 nan 0.000 0.490 444 K N 0.046 120.393 120.400 -0.089 0.000 2.276 444 K HA 0.161 4.287 4.320 -0.323 0.000 0.198 444 K C 1.943 178.626 176.600 0.138 0.000 1.052 444 K CA 0.461 56.715 56.287 -0.055 0.000 0.984 444 K CB 0.424 32.786 32.500 -0.230 0.000 0.836 444 K HN -0.174 nan 8.250 nan 0.000 0.490 445 S N -0.796 114.943 115.700 0.066 0.000 2.517 445 S HA 0.184 4.460 4.470 -0.323 0.000 0.228 445 S C 1.339 175.761 174.600 -0.298 0.000 1.060 445 S CA 0.250 58.373 58.200 -0.129 0.000 0.937 445 S CB -0.150 62.831 63.200 -0.365 0.000 0.840 445 S HN 0.122 nan 8.310 nan 0.000 0.546 446 F N 2.200 122.172 119.950 0.035 0.000 2.164 446 F HA 0.285 4.622 4.527 -0.316 0.000 0.287 446 F C 2.648 178.422 175.800 -0.043 0.000 1.086 446 F CA 0.562 58.553 58.000 -0.015 0.000 1.249 446 F CB -1.199 37.794 39.000 -0.012 0.000 1.059 446 F HN 0.142 nan 8.300 nan 0.000 0.490 447 A N 1.448 124.348 122.820 0.134 0.000 1.894 447 A HA -0.244 3.882 4.320 -0.323 0.000 0.220 447 A C -0.079 177.423 177.584 -0.137 0.000 1.237 447 A CA 2.503 54.522 52.037 -0.030 0.000 0.660 447 A CB -2.428 16.511 19.000 -0.102 0.000 0.835 447 A HN 0.304 nan 8.150 nan 0.000 0.461 448 P HA -0.096 nan 4.420 nan 0.000 0.223 448 P C 1.064 178.427 177.300 0.105 0.000 1.144 448 P CA 0.950 63.904 63.100 -0.244 0.000 0.783 448 P CB -0.168 31.441 31.700 -0.150 0.000 0.771 449 L N -1.493 119.764 121.223 0.057 0.000 2.591 449 L HA 0.148 4.294 4.340 -0.323 0.000 0.228 449 L C 1.131 177.953 176.870 -0.080 0.000 1.133 449 L CA -0.012 54.827 54.840 -0.003 0.000 0.880 449 L CB -0.219 41.808 42.059 -0.052 0.000 1.033 449 L HN -0.099 nan 8.230 nan 0.000 0.450 450 L N 0.949 122.136 121.223 -0.059 0.000 2.262 450 L HA 0.387 4.533 4.340 -0.323 0.000 0.288 450 L C -0.835 175.942 176.870 -0.156 0.000 1.035 450 L CA -0.392 54.383 54.840 -0.108 0.000 0.820 450 L CB 1.641 43.661 42.059 -0.064 0.000 1.204 450 L HN -0.222 nan 8.230 nan 0.000 0.424 451 V N 3.487 123.255 119.914 -0.244 0.000 2.443 451 V HA 0.308 4.234 4.120 -0.323 0.000 0.293 451 V C 0.027 176.047 176.094 -0.123 0.000 1.021 451 V CA -0.845 61.303 62.300 -0.254 0.000 0.848 451 V CB 1.422 33.035 31.823 -0.349 0.000 0.998 451 V HN 0.856 nan 8.190 nan 0.000 0.424 452 N N 4.021 122.693 118.700 -0.047 0.000 2.725 452 N HA -0.212 4.334 4.740 -0.323 0.000 0.251 452 N C 1.207 176.818 175.510 0.168 0.000 1.031 452 N CA 1.380 54.489 53.050 0.098 0.000 0.720 452 N CB -0.844 37.766 38.487 0.205 0.000 0.930 452 N HN 1.582 nan 8.380 nan 0.000 0.543 453 G N -0.539 108.306 108.800 0.075 0.000 2.162 453 G HA2 -0.349 3.417 3.960 -0.323 0.000 0.260 453 G HA3 -0.349 3.417 3.960 -0.323 0.000 0.260 453 G C -0.143 174.722 174.900 -0.058 0.000 0.976 453 G CA 0.904 46.081 45.100 0.129 0.000 0.655 453 G HN 0.708 nan 8.290 nan 0.000 0.533 454 E N -0.410 119.625 120.200 -0.275 0.000 2.183 454 E HA 0.644 4.800 4.350 -0.323 0.000 0.271 454 E C -0.558 175.879 176.600 -0.273 0.000 0.919 454 E CA -1.128 54.981 56.400 -0.485 0.000 0.781 454 E CB 0.993 30.357 29.700 -0.561 0.000 1.140 454 E HN 0.191 nan 8.360 nan 0.000 0.402 455 L N 5.198 126.303 121.223 -0.197 0.000 2.264 455 L HA 0.362 4.509 4.340 -0.323 0.000 0.289 455 L C -0.481 176.301 176.870 -0.147 0.000 1.044 455 L CA -0.083 54.675 54.840 -0.137 0.000 0.807 455 L CB 0.872 42.890 42.059 -0.069 0.000 1.192 455 L HN 0.759 nan 8.230 nan 0.000 0.425 456 M N 4.337 123.805 119.600 -0.219 0.000 2.284 456 M HA -0.035 4.251 4.480 -0.323 0.000 0.351 456 M C 0.899 177.080 176.300 -0.199 0.000 1.443 456 M CA 0.109 55.268 55.300 -0.236 0.000 1.031 456 M CB 0.222 32.636 32.600 -0.310 0.000 1.893 456 M HN 0.590 nan 8.290 nan 0.000 0.456 457 D N 3.225 123.519 120.400 -0.176 0.000 2.149 457 D HA -0.188 4.258 4.640 -0.323 0.000 0.198 457 D C 1.870 178.046 176.300 -0.207 0.000 0.990 457 D CA 1.654 55.594 54.000 -0.100 0.000 0.839 457 D CB -0.167 40.751 40.800 0.196 0.000 0.948 457 D HN 0.744 nan 8.370 nan 0.000 0.460 458 M N 0.134 119.482 119.600 -0.419 0.000 2.521 458 M HA -0.102 4.184 4.480 -0.323 0.000 0.260 458 M C 1.613 177.777 176.300 -0.227 0.000 1.068 458 M CA 1.700 56.824 55.300 -0.293 0.000 1.060 458 M CB -0.227 32.156 32.600 -0.362 0.000 1.398 458 M HN -0.061 nan 8.290 nan 0.000 0.473 459 S N -0.274 115.294 115.700 -0.220 0.000 2.539 459 S HA 0.238 4.514 4.470 -0.323 0.000 0.221 459 S C 1.517 176.042 174.600 -0.125 0.000 0.987 459 S CA -0.724 57.359 58.200 -0.194 0.000 0.929 459 S CB 0.021 63.100 63.200 -0.202 0.000 0.832 459 S HN 0.655 nan 8.310 nan 0.000 0.492 460 R N 1.342 121.772 120.500 -0.115 0.000 2.317 460 R HA 0.348 4.494 4.340 -0.323 0.000 0.208 460 R C 1.633 177.933 176.300 0.001 0.000 0.914 460 R CA 0.310 56.398 56.100 -0.020 0.000 1.060 460 R CB -0.342 29.938 30.300 -0.034 0.000 1.015 460 R HN 0.492 nan 8.270 nan 0.000 0.498 461 G N 2.945 111.586 108.800 -0.265 0.000 2.594 461 G HA2 -0.447 3.319 3.960 -0.323 0.000 0.297 461 G HA3 -0.447 3.319 3.960 -0.323 0.000 0.297 461 G C 0.651 175.481 174.900 -0.117 0.000 1.273 461 G CA 0.711 45.592 45.100 -0.365 0.000 0.974 461 G HN 0.528 nan 8.290 nan 0.000 0.552 462 R N -0.075 120.446 120.500 0.035 0.000 2.341 462 R HA 0.176 4.322 4.340 -0.323 0.000 0.213 462 R C 2.261 178.548 176.300 -0.021 0.000 1.082 462 R CA 1.891 57.993 56.100 0.004 0.000 1.017 462 R CB -0.371 29.973 30.300 0.074 0.000 0.860 462 R HN 0.277 nan 8.270 nan 0.000 0.473 463 S N 1.656 117.357 115.700 0.001 0.000 2.474 463 S HA -0.013 4.263 4.470 -0.323 0.000 0.235 463 S C 1.829 176.392 174.600 -0.062 0.000 0.997 463 S CA 1.081 59.261 58.200 -0.033 0.000 0.949 463 S CB -0.302 62.882 63.200 -0.027 0.000 0.766 463 S HN 0.571 nan 8.310 nan 0.000 0.517 464 I N 0.734 121.201 120.570 -0.171 0.000 2.567 464 I HA -0.072 3.904 4.170 -0.323 0.000 0.257 464 I C 1.868 177.915 176.117 -0.117 0.000 1.184 464 I CA 1.302 62.409 61.300 -0.321 0.000 1.451 464 I CB -0.615 36.794 38.000 -0.985 0.000 1.089 464 I HN 0.231 nan 8.210 nan 0.000 0.441 465 S N 0.458 116.153 115.700 -0.009 0.000 2.593 465 S HA 0.189 4.465 4.470 -0.323 0.000 0.217 465 S C 0.898 175.718 174.600 0.367 0.000 0.966 465 S CA -0.484 57.891 58.200 0.292 0.000 0.914 465 S CB -0.302 62.959 63.200 0.102 0.000 0.776 465 S HN 0.452 nan 8.310 nan 0.000 0.523 466 R N 1.174 121.722 120.500 0.080 0.000 2.210 466 R HA 0.528 4.674 4.340 -0.323 0.000 0.338 466 R C 1.350 177.343 176.300 -0.512 0.000 1.062 466 R CA 0.244 56.247 56.100 -0.161 0.000 0.902 466 R CB 0.707 30.931 30.300 -0.126 0.000 1.050 466 R HN 0.327 nan 8.270 nan 0.000 0.461 467 A N 3.704 125.872 122.820 -1.086 0.000 1.948 467 A HA -0.245 3.881 4.320 -0.323 0.000 0.220 467 A C 1.609 178.839 177.584 -0.591 0.000 1.177 467 A CA 1.878 53.013 52.037 -1.502 0.000 0.636 467 A CB -0.381 17.697 19.000 -1.537 0.000 0.815 467 A HN 0.863 nan 8.150 nan 0.000 0.449 468 N N -0.693 117.785 118.700 -0.370 0.000 2.461 468 N HA 0.011 4.557 4.740 -0.323 0.000 0.188 468 N C -0.157 175.274 175.510 -0.132 0.000 1.134 468 N CA 0.968 53.900 53.050 -0.196 0.000 0.878 468 N CB 0.013 38.409 38.487 -0.152 0.000 0.972 468 N HN 0.217 nan 8.380 nan 0.000 0.456 469 S N 0.356 115.975 115.700 -0.135 0.000 2.474 469 S HA 0.196 4.472 4.470 -0.323 0.000 0.224 469 S C -0.269 174.331 174.600 0.000 0.000 1.209 469 S CA -0.724 57.434 58.200 -0.070 0.000 1.212 469 S CB 0.653 63.807 63.200 -0.078 0.000 1.137 469 S HN 0.252 nan 8.310 nan 0.000 0.446 470 E N 0.675 120.902 120.200 0.044 0.000 2.371 470 E HA 0.290 4.446 4.350 -0.323 0.000 0.257 470 E C 1.583 178.251 176.600 0.113 0.000 1.134 470 E CA -0.130 56.374 56.400 0.174 0.000 0.919 470 E CB 0.394 30.252 29.700 0.265 0.000 1.025 470 E HN 0.355 nan 8.360 nan 0.000 0.438 471 G N 1.447 110.356 108.800 0.181 0.000 2.783 471 G HA2 -0.359 3.407 3.960 -0.323 0.000 0.225 471 G HA3 -0.359 3.407 3.960 -0.323 0.000 0.225 471 G C 1.124 175.997 174.900 -0.046 0.000 1.191 471 G CA 1.282 46.427 45.100 0.075 0.000 0.774 471 G HN 0.643 nan 8.290 nan 0.000 0.632 472 H N -0.223 118.844 119.070 -0.004 0.000 2.389 472 H HA -0.010 4.354 4.556 -0.319 0.000 0.299 472 H C 2.885 178.043 175.328 -0.284 0.000 1.081 472 H CA 1.226 57.212 56.048 -0.102 0.000 1.345 472 H CB -0.237 29.467 29.762 -0.096 0.000 1.393 472 H HN 0.280 nan 8.280 nan 0.000 0.520 473 V N 1.281 121.005 119.914 -0.316 0.000 2.295 473 V HA -0.234 3.692 4.120 -0.323 0.000 0.246 473 V C 2.857 178.916 176.094 -0.059 0.000 1.049 473 V CA 1.617 63.764 62.300 -0.254 0.000 1.024 473 V CB -0.957 30.748 31.823 -0.196 0.000 0.648 473 V HN 0.449 nan 8.190 nan 0.000 0.447 474 A N -0.021 122.768 122.820 -0.052 0.000 1.969 474 A HA -0.038 4.088 4.320 -0.323 0.000 0.218 474 A C 2.392 179.957 177.584 -0.033 0.000 1.169 474 A CA 1.761 53.776 52.037 -0.038 0.000 0.635 474 A CB -0.690 18.291 19.000 -0.032 0.000 0.810 474 A HN 0.577 nan 8.150 nan 0.000 0.445 475 A N -0.407 122.393 122.820 -0.033 0.000 2.024 475 A HA -0.004 4.122 4.320 -0.323 0.000 0.220 475 A C 2.104 179.678 177.584 -0.015 0.000 1.164 475 A CA 1.735 53.754 52.037 -0.030 0.000 0.643 475 A CB -0.736 18.239 19.000 -0.041 0.000 0.806 475 A HN 0.412 nan 8.150 nan 0.000 0.451 476 V N 0.173 120.096 119.914 0.016 0.000 2.548 476 V HA -0.233 3.693 4.120 -0.323 0.000 0.249 476 V C 2.259 178.338 176.094 -0.024 0.000 1.055 476 V CA 1.983 64.294 62.300 0.018 0.000 1.065 476 V CB -0.863 31.013 31.823 0.088 0.000 0.681 476 V HN 0.654 nan 8.190 nan 0.000 0.462 477 E N 0.186 120.365 120.200 -0.036 0.000 2.077 477 E HA -0.166 3.991 4.350 -0.323 0.000 0.193 477 E C 2.296 178.837 176.600 -0.098 0.000 0.989 477 E CA 1.433 57.796 56.400 -0.061 0.000 0.800 477 E CB -0.266 29.392 29.700 -0.068 0.000 0.746 477 E HN 0.459 nan 8.360 nan 0.000 0.452 478 V N 1.660 121.503 119.914 -0.118 0.000 2.270 478 V HA -0.246 3.680 4.120 -0.323 0.000 0.245 478 V C 2.369 178.359 176.094 -0.173 0.000 1.043 478 V CA 1.505 63.680 62.300 -0.209 0.000 1.014 478 V CB -0.455 31.261 31.823 -0.177 0.000 0.645 478 V HN 0.220 nan 8.190 nan 0.000 0.447 479 L N 0.459 121.619 121.223 -0.105 0.000 2.012 479 L HA -0.219 3.927 4.340 -0.323 0.000 0.210 479 L C 2.801 179.641 176.870 -0.051 0.000 1.073 479 L CA 2.270 57.060 54.840 -0.084 0.000 0.748 479 L CB -0.834 41.178 42.059 -0.077 0.000 0.891 479 L HN 0.430 nan 8.230 nan 0.000 0.431 480 R N 0.352 120.827 120.500 -0.042 0.000 2.200 480 R HA -0.096 4.050 4.340 -0.323 0.000 0.234 480 R C 2.065 178.364 176.300 -0.002 0.000 1.127 480 R CA 1.357 57.456 56.100 -0.003 0.000 0.989 480 R CB -0.913 29.372 30.300 -0.025 0.000 0.869 480 R HN 0.322 nan 8.270 nan 0.000 0.459 481 G N 1.836 110.605 108.800 -0.051 0.000 2.404 481 G HA2 -0.101 3.665 3.960 -0.323 0.000 0.213 481 G HA3 -0.101 3.665 3.960 -0.323 0.000 0.213 481 G C 1.541 176.423 174.900 -0.030 0.000 1.189 481 G CA 0.541 45.606 45.100 -0.059 0.000 0.796 481 G HN 0.198 nan 8.290 nan 0.000 0.532 482 I N 0.325 120.862 120.570 -0.056 0.000 2.248 482 I HA -0.239 3.737 4.170 -0.323 0.000 0.248 482 I C 2.564 178.734 176.117 0.088 0.000 1.107 482 I CA 1.273 62.569 61.300 -0.006 0.000 1.373 482 I CB -0.305 37.675 38.000 -0.034 0.000 1.055 482 I HN 0.150 nan 8.210 nan 0.000 0.418 483 H N 1.688 120.734 119.070 -0.040 0.000 2.353 483 H HA -0.061 4.302 4.556 -0.323 0.000 0.300 483 H C 2.303 177.624 175.328 -0.011 0.000 1.090 483 H CA 1.562 57.593 56.048 -0.027 0.000 1.327 483 H CB -0.021 29.714 29.762 -0.046 0.000 1.383 483 H HN 0.165 nan 8.280 nan 0.000 0.508 484 R N -0.339 120.182 120.500 0.036 0.000 2.105 484 R HA -0.112 4.035 4.340 -0.323 0.000 0.239 484 R C 2.169 178.480 176.300 0.019 0.000 1.135 484 R CA 1.396 57.480 56.100 -0.026 0.000 0.967 484 R CB -0.090 30.206 30.300 -0.007 0.000 0.861 484 R HN 0.326 nan 8.270 nan 0.000 0.442 485 I N 0.574 121.182 120.570 0.063 0.000 2.233 485 I HA -0.141 3.835 4.170 -0.323 0.000 0.243 485 I C 2.593 178.784 176.117 0.123 0.000 1.093 485 I CA 1.110 62.469 61.300 0.099 0.000 1.380 485 I CB -1.519 36.556 38.000 0.124 0.000 1.067 485 I HN 0.088 nan 8.210 nan 0.000 0.413 486 A N 0.770 123.667 122.820 0.127 0.000 1.908 486 A HA -0.296 3.830 4.320 -0.323 0.000 0.218 486 A C 2.125 179.755 177.584 0.077 0.000 1.181 486 A CA 2.329 54.437 52.037 0.119 0.000 0.627 486 A CB -0.951 18.152 19.000 0.171 0.000 0.818 486 A HN 0.427 nan 8.150 nan 0.000 0.445 487 D N -0.324 120.093 120.400 0.029 0.000 2.144 487 D HA -0.174 4.272 4.640 -0.323 0.000 0.199 487 D C 2.030 178.338 176.300 0.013 0.000 0.984 487 D CA 1.846 55.833 54.000 -0.023 0.000 0.834 487 D CB -0.171 40.556 40.800 -0.122 0.000 0.955 487 D HN 0.626 nan 8.370 nan 0.000 0.465 488 M N -1.515 118.104 119.600 0.032 0.000 2.502 488 M HA 0.252 4.538 4.480 -0.323 0.000 0.243 488 M C 0.386 176.722 176.300 0.059 0.000 1.130 488 M CA -0.068 55.257 55.300 0.043 0.000 1.055 488 M CB 0.689 33.317 32.600 0.046 0.000 1.457 488 M HN -0.294 nan 8.290 nan 0.000 0.488 489 S N 1.492 117.238 115.700 0.076 0.000 2.655 489 S HA 0.166 4.443 4.470 -0.323 0.000 0.265 489 S C 0.756 175.377 174.600 0.035 0.000 1.240 489 S CA -0.113 58.135 58.200 0.080 0.000 0.986 489 S CB 1.189 64.441 63.200 0.087 0.000 0.985 489 S HN 0.626 nan 8.310 nan 0.000 0.562 490 E N 0.320 120.528 120.200 0.014 0.000 3.249 490 E HA 0.299 4.455 4.350 -0.323 0.000 0.184 490 E C 1.211 177.803 176.600 -0.014 0.000 1.163 490 E CA -0.082 56.319 56.400 0.003 0.000 1.353 490 E CB -0.674 29.029 29.700 0.005 0.000 1.466 490 E HN 0.560 nan 8.360 nan 0.000 0.502 491 G N 0.928 109.711 108.800 -0.028 0.000 2.466 491 G HA2 -0.127 3.639 3.960 -0.323 0.000 0.279 491 G HA3 -0.127 3.639 3.960 -0.323 0.000 0.279 491 G C 0.538 175.408 174.900 -0.050 0.000 1.410 491 G CA 0.365 45.443 45.100 -0.036 0.000 1.065 491 G HN 0.352 nan 8.290 nan 0.000 0.547 492 E N -1.190 118.979 120.200 -0.052 0.000 2.164 492 E HA -0.234 3.922 4.350 -0.323 0.000 0.206 492 E C 2.758 179.308 176.600 -0.083 0.000 1.032 492 E CA 2.128 58.494 56.400 -0.057 0.000 0.832 492 E CB -0.325 29.341 29.700 -0.057 0.000 0.742 492 E HN 0.481 nan 8.360 nan 0.000 0.460 493 T N 0.696 115.170 114.554 -0.134 0.000 2.594 493 T HA -0.325 3.831 4.350 -0.323 0.000 0.266 493 T C 1.767 176.387 174.700 -0.133 0.000 1.070 493 T CA 2.025 63.995 62.100 -0.218 0.000 1.166 493 T CB -0.343 68.301 68.868 -0.373 0.000 0.862 493 T HN 0.252 nan 8.240 nan 0.000 0.436 494 K N 0.626 120.980 120.400 -0.077 0.000 2.044 494 K HA -0.237 3.889 4.320 -0.323 0.000 0.210 494 K C 2.486 179.083 176.600 -0.004 0.000 1.049 494 K CA 1.901 58.178 56.287 -0.016 0.000 0.927 494 K CB -0.195 32.307 32.500 0.003 0.000 0.713 494 K HN 0.429 nan 8.250 nan 0.000 0.443 495 Q N 0.578 120.368 119.800 -0.017 0.000 2.083 495 Q HA -0.170 3.976 4.340 -0.323 0.000 0.198 495 Q C 2.137 178.126 176.000 -0.017 0.000 0.969 495 Q CA 1.638 57.436 55.803 -0.009 0.000 0.838 495 Q CB -0.044 28.687 28.738 -0.012 0.000 0.900 495 Q HN 0.441 nan 8.270 nan 0.000 0.436 496 R N -0.246 120.233 120.500 -0.035 0.000 2.189 496 R HA -0.082 4.064 4.340 -0.323 0.000 0.223 496 R C 1.848 178.129 176.300 -0.031 0.000 1.092 496 R CA 1.190 57.268 56.100 -0.036 0.000 0.989 496 R CB -0.348 29.921 30.300 -0.052 0.000 0.876 496 R HN 0.279 nan 8.270 nan 0.000 0.457 497 L N 0.571 121.779 121.223 -0.025 0.000 2.209 497 L HA 0.004 4.150 4.340 -0.323 0.000 0.207 497 L C 2.511 179.376 176.870 -0.009 0.000 1.094 497 L CA 0.943 55.779 54.840 -0.006 0.000 0.790 497 L CB -0.291 41.783 42.059 0.026 0.000 0.932 497 L HN 0.257 nan 8.230 nan 0.000 0.447 498 Q N -0.576 119.226 119.800 0.002 0.000 2.170 498 Q HA -0.153 3.993 4.340 -0.323 0.000 0.203 498 Q C 2.387 178.358 176.000 -0.048 0.000 0.976 498 Q CA 1.548 57.343 55.803 -0.014 0.000 0.858 498 Q CB 0.012 28.767 28.738 0.028 0.000 0.907 498 Q HN 0.371 nan 8.270 nan 0.000 0.433 499 S N 0.735 116.418 115.700 -0.029 0.000 2.387 499 S HA -0.101 4.175 4.470 -0.323 0.000 0.226 499 S C 1.755 176.333 174.600 -0.037 0.000 1.026 499 S CA 0.605 58.788 58.200 -0.028 0.000 0.972 499 S CB -0.140 63.051 63.200 -0.015 0.000 0.814 499 S HN 0.233 nan 8.310 nan 0.000 0.477 500 L N 1.860 123.060 121.223 -0.039 0.000 2.017 500 L HA -0.046 4.100 4.340 -0.323 0.000 0.208 500 L C 2.171 179.003 176.870 -0.063 0.000 1.073 500 L CA 1.686 56.502 54.840 -0.041 0.000 0.745 500 L CB -0.763 41.276 42.059 -0.033 0.000 0.894 500 L HN 0.120 nan 8.230 nan 0.000 0.432 501 V N -0.115 119.741 119.914 -0.096 0.000 2.295 501 V HA -0.307 3.619 4.120 -0.323 0.000 0.246 501 V C 2.633 178.640 176.094 -0.146 0.000 1.049 501 V CA 2.194 64.405 62.300 -0.150 0.000 1.024 501 V CB -0.738 30.916 31.823 -0.281 0.000 0.648 501 V HN 0.524 nan 8.190 nan 0.000 0.447 502 K N -0.432 119.887 120.400 -0.136 0.000 2.097 502 K HA -0.192 3.934 4.320 -0.323 0.000 0.205 502 K C 2.328 178.897 176.600 -0.052 0.000 1.050 502 K CA 1.814 58.042 56.287 -0.098 0.000 0.938 502 K CB -0.272 32.183 32.500 -0.076 0.000 0.718 502 K HN 0.494 nan 8.250 nan 0.000 0.442 503 T N 0.340 114.871 114.554 -0.037 0.000 2.857 503 T HA -0.027 4.129 4.350 -0.323 0.000 0.266 503 T C 1.816 176.510 174.700 -0.010 0.000 1.048 503 T CA 1.024 63.117 62.100 -0.012 0.000 1.139 503 T CB -0.092 68.775 68.868 -0.001 0.000 0.874 503 T HN 0.224 nan 8.240 nan 0.000 0.455 504 I N 0.617 121.169 120.570 -0.029 0.000 2.353 504 I HA -0.063 3.913 4.170 -0.323 0.000 0.248 504 I C 2.512 178.624 176.117 -0.010 0.000 1.119 504 I CA 0.646 61.931 61.300 -0.025 0.000 1.417 504 I CB -0.210 37.764 38.000 -0.043 0.000 1.078 504 I HN 0.142 nan 8.210 nan 0.000 0.421 505 V N 0.511 120.404 119.914 -0.035 0.000 2.358 505 V HA -0.277 3.650 4.120 -0.323 0.000 0.246 505 V C 2.313 178.407 176.094 -0.000 0.000 1.047 505 V CA 1.748 64.028 62.300 -0.034 0.000 1.035 505 V CB -0.654 31.110 31.823 -0.098 0.000 0.658 505 V HN 0.472 nan 8.190 nan 0.000 0.452 506 Q N 0.254 120.054 119.800 -0.000 0.000 2.364 506 Q HA -0.121 4.025 4.340 -0.323 0.000 0.207 506 Q C 2.217 178.245 176.000 0.046 0.000 0.970 506 Q CA 1.512 57.327 55.803 0.021 0.000 0.888 506 Q CB -0.184 28.564 28.738 0.017 0.000 0.951 506 Q HN 0.795 nan 8.270 nan 0.000 0.469 507 S N -0.266 115.466 115.700 0.052 0.000 2.558 507 S HA -0.035 4.241 4.470 -0.323 0.000 0.217 507 S C 0.425 175.095 174.600 0.117 0.000 0.975 507 S CA -0.047 58.200 58.200 0.078 0.000 0.912 507 S CB 0.267 63.505 63.200 0.064 0.000 0.776 507 S HN 0.084 nan 8.310 nan 0.000 0.526 508 D N 2.425 122.901 120.400 0.126 0.000 2.467 508 D HA 0.311 4.757 4.640 -0.323 0.000 0.220 508 D C 0.868 177.255 176.300 0.145 0.000 1.103 508 D CA -0.162 53.953 54.000 0.191 0.000 0.886 508 D CB 1.280 42.229 40.800 0.249 0.000 1.025 508 D HN 0.295 nan 8.370 nan 0.000 0.514 509 S N 2.735 118.525 115.700 0.150 0.000 2.558 509 S HA -0.094 4.182 4.470 -0.323 0.000 0.217 509 S C 1.547 176.226 174.600 0.133 0.000 0.975 509 S CA -0.163 58.106 58.200 0.115 0.000 0.912 509 S CB -0.242 63.022 63.200 0.107 0.000 0.776 509 S HN 0.551 nan 8.310 nan 0.000 0.526 510 Y N 1.251 121.558 120.300 0.011 0.000 2.343 510 Y HA 0.372 4.729 4.550 -0.322 0.000 0.294 510 Y C 0.273 176.180 175.900 0.011 0.000 1.122 510 Y CA -0.372 57.705 58.100 -0.038 0.000 1.173 510 Y CB 0.014 38.379 38.460 -0.159 0.000 1.077 510 Y HN 0.309 nan 8.280 nan 0.000 0.542 511 Y N 1.810 121.882 120.300 -0.379 0.000 2.393 511 Y HA 0.326 4.683 4.550 -0.321 0.000 0.341 511 Y C -0.760 175.054 175.900 -0.143 0.000 0.988 511 Y CA -2.062 55.806 58.100 -0.388 0.000 1.078 511 Y CB 0.706 38.995 38.460 -0.285 0.000 1.203 511 Y HN 0.046 nan 8.280 nan 0.000 0.453 512 D N 5.364 125.373 120.400 -0.651 0.000 2.359 512 D HA -0.024 4.422 4.640 -0.323 0.000 0.250 512 D C 1.102 177.045 176.300 -0.595 0.000 1.264 512 D CA 0.420 54.144 54.000 -0.460 0.000 0.911 512 D CB 1.229 41.824 40.800 -0.342 0.000 1.056 512 D HN 0.624 nan 8.370 nan 0.000 0.499 513 V N 5.346 125.074 119.914 -0.310 0.000 2.317 513 V HA -0.306 3.620 4.120 -0.323 0.000 0.251 513 V C 1.763 177.668 176.094 -0.316 0.000 1.065 513 V CA 1.789 63.926 62.300 -0.271 0.000 1.049 513 V CB -0.647 30.987 31.823 -0.315 0.000 0.651 513 V HN 0.548 nan 8.190 nan 0.000 0.450 514 F N 0.563 120.426 119.950 -0.145 0.000 2.333 514 F HA -0.111 4.224 4.527 -0.321 0.000 0.300 514 F C 2.291 178.023 175.800 -0.113 0.000 1.083 514 F CA 1.717 59.657 58.000 -0.101 0.000 1.395 514 F CB -0.524 38.425 39.000 -0.085 0.000 1.056 514 F HN 0.179 nan 8.300 nan 0.000 0.529 515 K N -0.534 119.825 120.400 -0.069 0.000 2.280 515 K HA -0.176 3.950 4.320 -0.323 0.000 0.202 515 K C 0.855 177.476 176.600 0.034 0.000 1.047 515 K CA 1.149 57.401 56.287 -0.058 0.000 0.942 515 K CB -0.244 32.142 32.500 -0.190 0.000 0.739 515 K HN 0.068 nan 8.250 nan 0.000 0.457 516 N N 0.552 119.284 118.700 0.053 0.000 2.467 516 N HA 0.147 4.693 4.740 -0.323 0.000 0.278 516 N C -1.401 174.131 175.510 0.037 0.000 1.306 516 N CA -0.065 53.039 53.050 0.089 0.000 0.905 516 N CB 0.386 38.984 38.487 0.184 0.000 1.236 516 N HN -0.043 nan 8.380 nan 0.000 0.509 517 L N 1.051 122.296 121.223 0.037 0.000 2.366 517 L HA 0.407 4.553 4.340 -0.323 0.000 0.266 517 L C 0.711 177.599 176.870 0.031 0.000 1.010 517 L CA -0.574 54.282 54.840 0.027 0.000 0.879 517 L CB 1.348 43.440 42.059 0.055 0.000 1.228 517 L HN -0.153 nan 8.230 nan 0.000 0.439 518 K N 0.764 121.155 120.400 -0.015 0.000 2.487 518 K HA 0.102 4.228 4.320 -0.323 0.000 0.192 518 K C 0.710 177.236 176.600 -0.123 0.000 1.027 518 K CA 0.136 56.393 56.287 -0.050 0.000 1.054 518 K CB 0.025 32.489 32.500 -0.060 0.000 0.824 518 K HN 0.612 nan 8.250 nan 0.000 0.510 519 T N -3.131 111.352 114.554 -0.119 0.000 2.893 519 T HA 0.337 4.493 4.350 -0.323 0.000 0.291 519 T C 0.831 175.469 174.700 -0.103 0.000 1.028 519 T CA -0.759 61.210 62.100 -0.219 0.000 0.995 519 T CB 0.890 69.638 68.868 -0.199 0.000 1.051 519 T HN -0.087 nan 8.240 nan 0.000 0.470 520 Y N 1.245 121.551 120.300 0.009 0.000 2.274 520 Y HA 0.032 4.388 4.550 -0.323 0.000 0.290 520 Y C 2.544 178.385 175.900 -0.099 0.000 1.145 520 Y CA 0.935 59.055 58.100 0.034 0.000 1.203 520 Y CB -0.569 37.988 38.460 0.161 0.000 0.984 520 Y HN 0.726 nan 8.280 nan 0.000 0.533 521 K N 0.408 120.729 120.400 -0.132 0.000 2.002 521 K HA -0.190 3.936 4.320 -0.323 0.000 0.209 521 K C 1.622 178.047 176.600 -0.291 0.000 1.048 521 K CA 1.869 57.828 56.287 -0.547 0.000 0.930 521 K CB -0.186 31.979 32.500 -0.559 0.000 0.714 521 K HN 0.143 nan 8.250 nan 0.000 0.438 522 D N 0.890 121.197 120.400 -0.155 0.000 2.116 522 D HA -0.203 4.243 4.640 -0.323 0.000 0.193 522 D C 1.984 178.309 176.300 0.042 0.000 0.998 522 D CA 1.468 55.426 54.000 -0.068 0.000 0.836 522 D CB -0.279 40.495 40.800 -0.043 0.000 0.951 522 D HN 0.314 nan 8.370 nan 0.000 0.449 523 I N 0.478 121.122 120.570 0.123 0.000 2.208 523 I HA -0.270 3.706 4.170 -0.323 0.000 0.245 523 I C 2.601 178.892 176.117 0.289 0.000 1.097 523 I CA 0.882 62.378 61.300 0.326 0.000 1.363 523 I CB -0.259 37.907 38.000 0.277 0.000 1.051 523 I HN -0.059 nan 8.210 nan 0.000 0.413 524 S N 0.972 116.738 115.700 0.110 0.000 2.348 524 S HA -0.148 4.128 4.470 -0.323 0.000 0.221 524 S C 2.082 176.731 174.600 0.081 0.000 1.033 524 S CA 1.370 59.612 58.200 0.070 0.000 1.010 524 S CB -0.334 62.871 63.200 0.009 0.000 0.891 524 S HN 0.316 nan 8.310 nan 0.000 0.442 525 L N 0.327 121.553 121.223 0.005 0.000 2.042 525 L HA -0.152 3.994 4.340 -0.323 0.000 0.210 525 L C 2.682 179.696 176.870 0.240 0.000 1.076 525 L CA 1.588 56.433 54.840 0.007 0.000 0.749 525 L CB -0.457 41.441 42.059 -0.269 0.000 0.893 525 L HN 0.418 nan 8.230 nan 0.000 0.432 526 M N -0.226 119.523 119.600 0.248 0.000 2.132 526 M HA -0.196 4.090 4.480 -0.323 0.000 0.263 526 M C 2.215 178.683 176.300 0.279 0.000 1.065 526 M CA 1.792 57.211 55.300 0.198 0.000 1.122 526 M CB -0.346 32.206 32.600 -0.081 0.000 1.365 526 M HN 0.122 nan 8.290 nan 0.000 0.411 527 Q N -1.351 118.693 119.800 0.406 0.000 2.226 527 Q HA -0.118 4.029 4.340 -0.323 0.000 0.204 527 Q C 2.067 178.161 176.000 0.156 0.000 0.975 527 Q CA 1.654 57.633 55.803 0.293 0.000 0.866 527 Q CB -0.163 28.650 28.738 0.124 0.000 0.915 527 Q HN 0.484 nan 8.270 nan 0.000 0.440 528 S N 0.496 116.282 115.700 0.144 0.000 2.377 528 S HA -0.061 4.215 4.470 -0.323 0.000 0.223 528 S C 1.701 176.364 174.600 0.104 0.000 1.030 528 S CA 0.402 58.666 58.200 0.105 0.000 0.970 528 S CB -0.078 63.181 63.200 0.098 0.000 0.830 528 S HN 0.222 nan 8.310 nan 0.000 0.473 529 L N 2.320 123.625 121.223 0.136 0.000 1.976 529 L HA 0.034 4.180 4.340 -0.323 0.000 0.209 529 L C 1.934 178.835 176.870 0.052 0.000 1.071 529 L CA 1.718 56.614 54.840 0.092 0.000 0.746 529 L CB -0.835 41.259 42.059 0.057 0.000 0.890 529 L HN 0.280 nan 8.230 nan 0.000 0.432 530 L N -0.428 120.831 121.223 0.060 0.000 2.270 530 L HA -0.213 3.933 4.340 -0.323 0.000 0.217 530 L C 1.954 178.856 176.870 0.054 0.000 1.107 530 L CA 1.550 56.423 54.840 0.055 0.000 0.772 530 L CB -0.635 41.484 42.059 0.100 0.000 0.902 530 L HN 0.614 nan 8.230 nan 0.000 0.439 531 S N -3.633 112.101 115.700 0.057 0.000 2.559 531 S HA 0.074 4.351 4.470 -0.323 0.000 0.226 531 S C 0.336 174.956 174.600 0.034 0.000 1.000 531 S CA -0.623 57.602 58.200 0.041 0.000 0.948 531 S CB 0.130 63.353 63.200 0.038 0.000 0.870 531 S HN 0.186 nan 8.310 nan 0.000 0.497 532 D N 1.898 122.320 120.400 0.037 0.000 2.277 532 D HA 0.595 5.041 4.640 -0.323 0.000 0.249 532 D C 0.780 177.094 176.300 0.024 0.000 1.134 532 D CA -0.162 53.857 54.000 0.031 0.000 0.863 532 D CB 1.632 42.455 40.800 0.038 0.000 1.143 532 D HN 0.165 nan 8.370 nan 0.000 0.458 533 A N 2.902 125.734 122.820 0.019 0.000 2.178 533 A HA 0.210 4.336 4.320 -0.323 0.000 0.211 533 A C 1.792 179.384 177.584 0.014 0.000 1.157 533 A CA 0.689 52.736 52.037 0.016 0.000 0.780 533 A CB -0.021 18.988 19.000 0.014 0.000 0.828 533 A HN 0.595 nan 8.150 nan 0.000 0.476 534 G N -0.707 108.102 108.800 0.015 0.000 2.776 534 G HA2 0.284 4.050 3.960 -0.323 0.000 0.209 534 G HA3 0.284 4.050 3.960 -0.323 0.000 0.209 534 G C 0.155 175.063 174.900 0.013 0.000 1.145 534 G CA 0.506 45.614 45.100 0.013 0.000 0.791 534 G HN 0.232 nan 8.290 nan 0.000 0.530 535 V N 1.495 121.417 119.914 0.013 0.000 2.293 535 V HA 0.613 4.539 4.120 -0.323 0.000 0.275 535 V C 0.672 176.770 176.094 0.006 0.000 1.021 535 V CA -1.281 61.024 62.300 0.010 0.000 0.815 535 V CB 0.604 32.434 31.823 0.012 0.000 1.025 535 V HN 0.382 nan 8.190 nan 0.000 0.448 536 A N 3.803 126.626 122.820 0.005 0.000 2.520 536 A HA 0.449 4.576 4.320 -0.323 0.000 0.235 536 A C 0.596 178.182 177.584 0.004 0.000 1.065 536 A CA 0.382 52.423 52.037 0.006 0.000 0.764 536 A CB 0.405 19.408 19.000 0.006 0.000 1.002 536 A HN 0.906 nan 8.150 nan 0.000 0.502 537 S N 1.473 117.178 115.700 0.008 0.000 2.383 537 S HA 0.488 4.764 4.470 -0.323 0.000 0.196 537 S C -0.915 173.695 174.600 0.018 0.000 1.364 537 S CA -0.512 57.693 58.200 0.008 0.000 1.212 537 S CB -0.092 63.112 63.200 0.006 0.000 1.171 537 S HN 0.757 nan 8.310 nan 0.000 0.456 538 V N 4.692 124.619 119.914 0.022 0.000 2.667 538 V HA 0.576 4.502 4.120 -0.323 0.000 0.308 538 V C -2.276 173.845 176.094 0.046 0.000 1.048 538 V CA -2.254 60.066 62.300 0.033 0.000 0.928 538 V CB 1.406 33.248 31.823 0.032 0.000 1.004 538 V HN 0.560 nan 8.190 nan 0.000 0.444 539 P HA 0.203 nan 4.420 nan 0.000 0.267 539 P C -0.113 177.255 177.300 0.115 0.000 1.205 539 P CA -0.115 63.039 63.100 0.090 0.000 0.765 539 P CB 0.317 32.078 31.700 0.102 0.000 0.828 540 R N 0.950 121.529 120.500 0.132 0.000 2.758 540 R HA 0.147 4.293 4.340 -0.323 0.000 0.263 540 R C 0.996 177.455 176.300 0.266 0.000 1.010 540 R CA 0.249 56.452 56.100 0.172 0.000 1.114 540 R CB -0.135 30.253 30.300 0.147 0.000 0.985 540 R HN 0.398 nan 8.270 nan 0.000 0.439 541 T N 0.345 115.035 114.554 0.226 0.000 2.874 541 T HA 0.134 4.291 4.350 -0.323 0.000 0.281 541 T C 0.190 175.037 174.700 0.243 0.000 0.994 541 T CA -0.575 61.633 62.100 0.179 0.000 1.015 541 T CB 0.784 69.720 68.868 0.113 0.000 1.028 541 T HN 0.533 nan 8.240 nan 0.000 0.523 542 S N 1.844 117.574 115.700 0.049 0.000 2.569 542 S HA 0.420 4.696 4.470 -0.323 0.000 0.274 542 S C -0.935 173.719 174.600 0.090 0.000 1.353 542 S CA -0.022 58.126 58.200 -0.086 0.000 1.023 542 S CB -0.190 62.897 63.200 -0.189 0.000 0.876 542 S HN 0.738 nan 8.310 nan 0.000 0.540 543 Y N -1.147 119.185 120.300 0.054 0.000 2.662 543 Y HA 0.678 5.028 4.550 -0.333 0.000 0.334 543 Y C -1.731 174.179 175.900 0.017 0.000 1.185 543 Y CA -1.405 56.716 58.100 0.034 0.000 1.074 543 Y CB 0.918 39.407 38.460 0.049 0.000 1.330 543 Y HN 0.530 nan 8.280 nan 0.000 0.458 544 L N 2.876 124.231 121.223 0.219 0.000 2.504 544 L HA 0.637 4.783 4.340 -0.323 0.000 0.265 544 L C -1.239 175.638 176.870 0.012 0.000 0.975 544 L CA -0.378 54.524 54.840 0.104 0.000 0.864 544 L CB 1.697 43.770 42.059 0.022 0.000 1.212 544 L HN 0.839 nan 8.230 nan 0.000 0.416 545 S N 3.233 118.893 115.700 -0.067 0.000 2.457 545 S HA 0.662 4.938 4.470 -0.323 0.000 0.289 545 S C 0.106 174.390 174.600 -0.527 0.000 1.163 545 S CA -0.430 57.502 58.200 -0.446 0.000 1.078 545 S CB 1.528 64.201 63.200 -0.878 0.000 0.987 545 S HN 0.656 nan 8.310 nan 0.000 0.482 546 A N 3.441 125.970 122.820 -0.485 0.000 2.511 546 A HA 0.561 4.687 4.320 -0.323 0.000 0.340 546 A C -0.563 176.826 177.584 -0.324 0.000 1.396 546 A CA -0.556 51.279 52.037 -0.337 0.000 0.887 546 A CB -0.477 18.362 19.000 -0.268 0.000 1.145 546 A HN 0.690 nan 8.150 nan 0.000 0.497 547 F N 2.033 121.939 119.950 -0.074 0.000 2.666 547 F HA 0.124 4.433 4.527 -0.362 0.000 0.362 547 F C 1.405 177.139 175.800 -0.110 0.000 1.190 547 F CA -0.600 57.353 58.000 -0.079 0.000 1.328 547 F CB -0.451 38.507 39.000 -0.069 0.000 1.682 547 F HN 0.546 nan 8.300 nan 0.000 0.623 548 N N 0.929 119.621 118.700 -0.014 0.000 2.205 548 N HA -0.159 4.388 4.740 -0.323 0.000 0.186 548 N C 1.737 177.217 175.510 -0.050 0.000 1.015 548 N CA 0.963 53.982 53.050 -0.051 0.000 0.862 548 N CB 0.124 38.531 38.487 -0.132 0.000 0.986 548 N HN 0.250 nan 8.380 nan 0.000 0.429 549 K N 0.767 121.102 120.400 -0.109 0.000 2.555 549 K HA -0.005 4.121 4.320 -0.323 0.000 0.193 549 K C 1.470 177.872 176.600 -0.331 0.000 1.032 549 K CA 0.374 56.468 56.287 -0.323 0.000 1.004 549 K CB -0.088 31.986 32.500 -0.708 0.000 0.804 549 K HN 0.502 nan 8.250 nan 0.000 0.496 550 M N -2.140 117.370 119.600 -0.150 0.000 2.621 550 M HA 0.239 4.526 4.480 -0.323 0.000 0.421 550 M C -1.220 175.065 176.300 -0.025 0.000 1.180 550 M CA -0.143 55.088 55.300 -0.114 0.000 0.875 550 M CB 0.709 33.219 32.600 -0.151 0.000 1.572 550 M HN -0.219 nan 8.290 nan 0.000 0.541 551 D N 2.564 122.965 120.400 0.002 0.000 2.689 551 D HA -0.110 4.336 4.640 -0.323 0.000 0.237 551 D C -0.829 175.493 176.300 0.037 0.000 1.148 551 D CA 1.100 55.117 54.000 0.029 0.000 0.656 551 D CB -0.445 40.391 40.800 0.060 0.000 1.050 551 D HN 0.523 nan 8.370 nan 0.000 0.426 552 K N -0.105 120.334 120.400 0.066 0.000 2.502 552 K HA 0.594 4.720 4.320 -0.323 0.000 0.257 552 K C -0.097 176.583 176.600 0.132 0.000 0.938 552 K CA -0.535 55.797 56.287 0.076 0.000 0.819 552 K CB 2.237 34.783 32.500 0.077 0.000 1.333 552 K HN -0.111 nan 8.250 nan 0.000 0.434 553 T N 0.412 114.995 114.554 0.049 0.000 2.886 553 T HA 0.703 4.859 4.350 -0.323 0.000 0.292 553 T C -1.050 173.687 174.700 0.062 0.000 1.012 553 T CA -0.774 61.338 62.100 0.020 0.000 0.982 553 T CB 1.865 70.720 68.868 -0.020 0.000 1.018 553 T HN 0.592 nan 8.240 nan 0.000 0.451 554 A N 3.532 126.402 122.820 0.084 0.000 2.343 554 A HA 0.827 4.954 4.320 -0.323 0.000 0.308 554 A C -0.574 177.117 177.584 0.179 0.000 1.092 554 A CA -0.786 51.349 52.037 0.165 0.000 0.751 554 A CB 1.157 20.316 19.000 0.265 0.000 1.203 554 A HN 0.899 nan 8.150 nan 0.000 0.452 555 M N 2.984 122.708 119.600 0.208 0.000 2.456 555 M HA 0.740 5.026 4.480 -0.323 0.000 0.324 555 M C -2.158 174.132 176.300 -0.018 0.000 1.124 555 M CA -0.697 54.667 55.300 0.107 0.000 0.959 555 M CB 1.909 34.650 32.600 0.235 0.000 1.692 555 M HN 0.764 nan 8.290 nan 0.000 0.444 556 Y N 4.237 124.220 120.300 -0.529 0.000 2.361 556 Y HA 0.413 4.764 4.550 -0.332 0.000 0.328 556 Y C -1.637 173.911 175.900 -0.586 0.000 1.044 556 Y CA -0.991 56.721 58.100 -0.647 0.000 1.085 556 Y CB 1.216 39.038 38.460 -1.062 0.000 1.194 556 Y HN 0.779 nan 8.280 nan 0.000 0.438 557 N N 4.664 122.561 118.700 -1.338 0.000 2.485 557 N HA 0.343 4.889 4.740 -0.323 0.000 0.243 557 N C 0.302 175.064 175.510 -1.247 0.000 0.987 557 N CA 0.583 52.959 53.050 -1.124 0.000 0.940 557 N CB 1.777 39.584 38.487 -1.134 0.000 1.122 557 N HN 0.894 nan 8.380 nan 0.000 0.509 558 A N 3.433 125.673 122.820 -0.967 0.000 2.015 558 A HA -0.103 4.023 4.320 -0.323 0.000 0.219 558 A C 1.859 179.284 177.584 -0.264 0.000 1.163 558 A CA 1.045 52.758 52.037 -0.540 0.000 0.646 558 A CB -0.323 18.598 19.000 -0.131 0.000 0.806 558 A HN 0.821 nan 8.150 nan 0.000 0.448 559 E N 0.089 120.138 120.200 -0.252 0.000 2.017 559 E HA -0.175 3.981 4.350 -0.323 0.000 0.193 559 E C 1.457 178.007 176.600 -0.082 0.000 0.997 559 E CA 1.339 57.663 56.400 -0.128 0.000 0.804 559 E CB -0.078 29.555 29.700 -0.112 0.000 0.757 559 E HN 0.555 nan 8.360 nan 0.000 0.448 560 K N -0.950 119.391 120.400 -0.099 0.000 2.404 560 K HA 0.109 4.235 4.320 -0.323 0.000 0.194 560 K C 0.340 176.996 176.600 0.094 0.000 1.023 560 K CA 0.464 56.779 56.287 0.047 0.000 1.094 560 K CB 0.910 33.525 32.500 0.192 0.000 0.841 560 K HN 0.303 nan 8.250 nan 0.000 0.523 561 G N 2.687 111.463 108.800 -0.040 0.000 2.353 561 G HA2 -0.248 3.518 3.960 -0.323 0.000 0.294 561 G HA3 -0.248 3.518 3.960 -0.323 0.000 0.294 561 G C -0.397 174.653 174.900 0.251 0.000 1.077 561 G CA 0.362 45.511 45.100 0.082 0.000 1.098 561 G HN 0.358 nan 8.290 nan 0.000 0.511 562 F N -1.351 118.626 119.950 0.044 0.000 2.668 562 F HA 0.843 5.167 4.527 -0.339 0.000 0.309 562 F C 0.020 175.982 175.800 0.270 0.000 1.117 562 F CA -1.337 56.773 58.000 0.183 0.000 0.951 562 F CB 0.937 40.014 39.000 0.129 0.000 1.323 562 F HN 0.559 nan 8.300 nan 0.000 0.451 563 G N 1.063 110.303 108.800 0.734 0.000 2.481 563 G HA2 0.650 4.416 3.960 -0.323 0.000 0.315 563 G HA3 0.650 4.416 3.960 -0.323 0.000 0.315 563 G C -2.609 172.806 174.900 0.858 0.000 1.231 563 G CA -0.876 44.612 45.100 0.647 0.000 0.968 563 G HN 0.814 nan 8.290 nan 0.000 0.482 564 F N 1.084 121.329 119.950 0.492 0.000 2.557 564 F HA 0.689 5.072 4.527 -0.239 0.000 0.316 564 F C 0.097 176.125 175.800 0.380 0.000 1.141 564 F CA -0.926 57.360 58.000 0.478 0.000 0.922 564 F CB 2.195 41.444 39.000 0.414 0.000 1.194 564 F HN 0.687 nan 8.300 nan 0.000 0.443 565 G N 5.909 114.617 108.800 -0.154 0.000 2.478 565 G HA2 0.562 4.328 3.960 -0.323 0.000 0.317 565 G HA3 0.562 4.328 3.960 -0.323 0.000 0.317 565 G C -2.361 172.299 174.900 -0.399 0.000 1.259 565 G CA -0.644 44.358 45.100 -0.163 0.000 0.933 565 G HN 0.640 nan 8.290 nan 0.000 0.478 566 L N 2.506 123.518 121.223 -0.352 0.000 2.298 566 L HA 0.707 4.853 4.340 -0.323 0.000 0.284 566 L C 0.104 176.869 176.870 -0.176 0.000 1.013 566 L CA -0.635 53.978 54.840 -0.378 0.000 0.824 566 L CB 1.975 43.750 42.059 -0.474 0.000 1.221 566 L HN 0.377 nan 8.230 nan 0.000 0.418 567 S N 6.114 121.780 115.700 -0.057 0.000 2.461 567 S HA 0.738 5.014 4.470 -0.323 0.000 0.322 567 S C -0.415 174.229 174.600 0.074 0.000 1.063 567 S CA -0.608 57.620 58.200 0.047 0.000 1.120 567 S CB -0.089 63.236 63.200 0.209 0.000 0.968 567 S HN 0.613 nan 8.310 nan 0.000 0.467 568 L N 3.736 125.012 121.223 0.088 0.000 2.242 568 L HA 0.883 5.029 4.340 -0.323 0.000 0.261 568 L C -0.634 176.464 176.870 0.379 0.000 1.052 568 L CA -1.308 53.661 54.840 0.216 0.000 0.972 568 L CB 1.065 43.184 42.059 0.101 0.000 1.562 568 L HN 0.733 nan 8.230 nan 0.000 0.509 569 F N -1.259 118.769 119.950 0.130 0.000 2.842 569 F HA 0.673 4.992 4.527 -0.345 0.000 0.319 569 F C -0.886 175.004 175.800 0.150 0.000 1.159 569 F CA -0.430 57.644 58.000 0.123 0.000 0.902 569 F CB 0.841 39.930 39.000 0.148 0.000 1.311 569 F HN 0.599 nan 8.300 nan 0.000 0.453 570 S N -0.366 115.337 115.700 0.005 0.000 2.930 570 S HA 0.381 4.657 4.470 -0.323 0.000 0.306 570 S C 0.288 174.908 174.600 0.033 0.000 1.238 570 S CA -0.105 58.014 58.200 -0.135 0.000 1.000 570 S CB 0.435 63.605 63.200 -0.049 0.000 1.342 570 S HN 1.742 nan 8.310 nan 0.000 0.575 571 S N 0.276 115.991 115.700 0.026 0.000 2.507 571 S HA 0.016 4.292 4.470 -0.323 0.000 0.235 571 S C 1.218 175.862 174.600 0.073 0.000 0.988 571 S CA 0.568 58.806 58.200 0.064 0.000 0.944 571 S CB -0.602 62.627 63.200 0.049 0.000 0.762 571 S HN 0.640 nan 8.310 nan 0.000 0.526 572 R N 1.059 121.598 120.500 0.065 0.000 2.334 572 R HA 0.199 4.346 4.340 -0.323 0.000 0.212 572 R C 0.024 176.363 176.300 0.065 0.000 0.897 572 R CA 0.722 56.853 56.100 0.053 0.000 1.056 572 R CB 0.616 30.930 30.300 0.023 0.000 1.046 572 R HN 0.620 nan 8.270 nan 0.000 0.513 573 T N -2.102 112.525 114.554 0.122 0.000 2.916 573 T HA 0.389 4.545 4.350 -0.323 0.000 0.305 573 T C -0.755 174.094 174.700 0.248 0.000 1.119 573 T CA -0.913 61.272 62.100 0.140 0.000 1.008 573 T CB 1.881 70.821 68.868 0.120 0.000 1.129 573 T HN -0.139 nan 8.240 nan 0.000 0.480 574 L N 3.134 124.440 121.223 0.138 0.000 2.417 574 L HA 0.328 4.475 4.340 -0.323 0.000 0.268 574 L C 1.612 178.474 176.870 -0.013 0.000 1.158 574 L CA -0.136 54.760 54.840 0.094 0.000 0.819 574 L CB 0.569 42.629 42.059 0.001 0.000 1.112 574 L HN 0.896 nan 8.230 nan 0.000 0.458 575 N N 2.103 120.618 118.700 -0.308 0.000 2.270 575 N HA -0.092 4.454 4.740 -0.323 0.000 0.181 575 N C -0.570 174.867 175.510 -0.121 0.000 1.016 575 N CA 1.203 53.823 53.050 -0.716 0.000 0.870 575 N CB -0.243 37.373 38.487 -1.450 0.000 0.979 575 N HN 0.568 nan 8.380 nan 0.000 0.431 576 Y N -2.550 117.600 120.300 -0.249 0.000 2.573 576 Y HA 0.524 4.878 4.550 -0.327 0.000 0.328 576 Y C -1.607 174.222 175.900 -0.117 0.000 1.170 576 Y CA -1.929 56.056 58.100 -0.192 0.000 1.078 576 Y CB 0.389 38.723 38.460 -0.210 0.000 1.341 576 Y HN 0.020 nan 8.280 nan 0.000 0.459 577 E N 3.260 123.267 120.200 -0.322 0.000 2.156 577 E HA 0.264 4.420 4.350 -0.323 0.000 0.279 577 E C -1.566 174.891 176.600 -0.237 0.000 0.965 577 E CA -0.690 55.535 56.400 -0.291 0.000 0.789 577 E CB 0.693 30.368 29.700 -0.042 0.000 1.098 577 E HN 0.826 nan 8.360 nan 0.000 0.397 578 H N 7.095 125.923 119.070 -0.403 0.000 2.953 578 H HA 0.363 4.725 4.556 -0.324 0.000 0.290 578 H C -1.248 173.997 175.328 -0.140 0.000 1.113 578 H CA -0.797 55.104 56.048 -0.244 0.000 1.454 578 H CB 0.432 30.036 29.762 -0.264 0.000 1.525 578 H HN 0.613 nan 8.280 nan 0.000 0.505 579 M N 2.593 122.053 119.600 -0.235 0.000 2.470 579 M HA 0.387 4.673 4.480 -0.323 0.000 0.285 579 M C -0.843 175.372 176.300 -0.142 0.000 1.213 579 M CA -0.815 54.329 55.300 -0.261 0.000 0.901 579 M CB 1.981 34.489 32.600 -0.153 0.000 1.718 579 M HN 0.388 nan 8.290 nan 0.000 0.469 580 N N 0.960 119.573 118.700 -0.145 0.000 2.776 580 N HA -0.181 4.365 4.740 -0.323 0.000 0.250 580 N C -0.967 174.515 175.510 -0.046 0.000 1.112 580 N CA 1.466 54.467 53.050 -0.081 0.000 0.733 580 N CB -1.432 37.020 38.487 -0.059 0.000 1.097 580 N HN 1.022 nan 8.380 nan 0.000 0.558 581 K N -1.972 118.400 120.400 -0.048 0.000 3.230 581 K HA -0.234 3.892 4.320 -0.323 0.000 0.285 581 K C -0.699 175.963 176.600 0.104 0.000 1.196 581 K CA 1.234 57.561 56.287 0.067 0.000 0.838 581 K CB -1.275 31.251 32.500 0.043 0.000 1.262 581 K HN 0.562 nan 8.250 nan 0.000 0.492 582 E N 0.817 121.082 120.200 0.108 0.000 2.212 582 E HA 0.280 4.436 4.350 -0.323 0.000 0.268 582 E C -0.145 176.528 176.600 0.121 0.000 0.902 582 E CA -1.109 55.344 56.400 0.088 0.000 0.779 582 E CB 1.237 30.960 29.700 0.039 0.000 1.172 582 E HN 0.226 nan 8.360 nan 0.000 0.409 583 N N 2.073 120.787 118.700 0.022 0.000 2.746 583 N HA -0.198 4.348 4.740 -0.323 0.000 0.250 583 N C -0.143 175.278 175.510 -0.148 0.000 1.055 583 N CA 0.635 53.642 53.050 -0.073 0.000 0.699 583 N CB -0.673 37.779 38.487 -0.057 0.000 0.919 583 N HN 0.549 nan 8.380 nan 0.000 0.548 584 K N -0.056 120.194 120.400 -0.249 0.000 2.360 584 K HA -0.019 4.107 4.320 -0.323 0.000 0.201 584 K C 0.632 176.785 176.600 -0.746 0.000 1.046 584 K CA 1.042 57.012 56.287 -0.527 0.000 0.945 584 K CB 0.077 32.400 32.500 -0.295 0.000 0.750 584 K HN 0.418 nan 8.250 nan 0.000 0.464 585 R N -0.439 119.520 120.500 -0.902 0.000 2.727 585 R HA 0.110 4.256 4.340 -0.323 0.000 0.410 585 R C 0.659 175.991 176.300 -1.615 0.000 1.101 585 R CA -0.239 54.752 56.100 -1.847 0.000 1.045 585 R CB 1.228 30.637 30.300 -1.484 0.000 1.380 585 R HN 0.042 nan 8.270 nan 0.000 0.587 586 G N -0.004 108.124 108.800 -1.119 0.000 3.327 586 G HA2 -0.065 3.701 3.960 -0.323 0.000 0.240 586 G HA3 -0.065 3.701 3.960 -0.323 0.000 0.240 586 G C 0.715 174.849 174.900 -1.277 0.000 1.222 586 G CA -0.394 44.225 45.100 -0.801 0.000 0.871 586 G HN 0.324 nan 8.290 nan 0.000 0.525 587 W N 0.600 121.064 121.300 -1.393 0.000 2.277 587 W HA -0.220 4.244 4.660 -0.327 0.000 0.327 587 W C 1.062 176.962 176.519 -1.030 0.000 1.284 587 W CA 1.044 57.445 57.345 -1.574 0.000 1.277 587 W CB -0.924 27.533 29.460 -1.672 0.000 1.141 587 W HN 0.435 nan 8.180 nan 0.000 0.482 588 Y N 0.021 120.277 120.300 -0.074 0.000 2.584 588 Y HA 0.114 4.466 4.550 -0.330 0.000 0.254 588 Y C 2.137 178.073 175.900 0.059 0.000 1.177 588 Y CA 0.513 58.651 58.100 0.062 0.000 1.216 588 Y CB -1.271 37.288 38.460 0.164 0.000 1.172 588 Y HN -0.119 nan 8.280 nan 0.000 0.529 589 T N -4.103 110.501 114.554 0.083 0.000 3.228 589 T HA -0.019 4.137 4.350 -0.323 0.000 0.261 589 T C 1.104 175.902 174.700 0.163 0.000 1.171 589 T CA 1.105 63.289 62.100 0.141 0.000 1.056 589 T CB -0.254 68.671 68.868 0.095 0.000 0.938 589 T HN 0.156 nan 8.240 nan 0.000 0.539 590 S N 0.215 116.014 115.700 0.165 0.000 2.893 590 S HA 0.196 4.472 4.470 -0.323 0.000 0.258 590 S C -0.302 174.573 174.600 0.457 0.000 1.034 590 S CA -0.486 57.849 58.200 0.226 0.000 1.167 590 S CB 0.467 63.706 63.200 0.065 0.000 1.137 590 S HN 0.349 nan 8.310 nan 0.000 0.650 591 D N 2.131 122.789 120.400 0.429 0.000 3.134 591 D HA 0.453 4.899 4.640 -0.323 0.000 0.248 591 D C 1.073 177.513 176.300 0.233 0.000 1.273 591 D CA 0.443 54.723 54.000 0.466 0.000 0.904 591 D CB -0.146 40.949 40.800 0.491 0.000 1.089 591 D HN 0.427 nan 8.370 nan 0.000 0.478 592 G N 1.051 110.033 108.800 0.304 0.000 2.132 592 G HA2 -0.309 3.457 3.960 -0.323 0.000 0.228 592 G HA3 -0.309 3.457 3.960 -0.323 0.000 0.228 592 G C 0.377 175.468 174.900 0.317 0.000 1.000 592 G CA -0.137 45.172 45.100 0.348 0.000 0.693 592 G HN 0.415 nan 8.290 nan 0.000 0.515 593 M N 0.661 120.398 119.600 0.228 0.000 2.228 593 M HA 0.594 4.880 4.480 -0.323 0.000 0.351 593 M C 0.446 176.844 176.300 0.162 0.000 1.233 593 M CA -0.439 54.968 55.300 0.178 0.000 1.129 593 M CB 0.128 32.790 32.600 0.103 0.000 1.604 593 M HN 0.501 nan 8.290 nan 0.000 0.457 594 F N 3.706 123.662 119.950 0.010 0.000 2.561 594 F HA 0.704 5.007 4.527 -0.372 0.000 0.321 594 F C -2.256 173.465 175.800 -0.130 0.000 1.065 594 F CA -1.071 56.903 58.000 -0.044 0.000 0.934 594 F CB 0.844 39.949 39.000 0.174 0.000 1.215 594 F HN 0.408 nan 8.300 nan 0.000 0.471 595 Y N 3.215 123.386 120.300 -0.215 0.000 2.376 595 Y HA 0.622 4.951 4.550 -0.369 0.000 0.340 595 Y C -1.006 174.895 175.900 0.002 0.000 0.965 595 Y CA -1.343 56.580 58.100 -0.295 0.000 1.078 595 Y CB 1.970 40.162 38.460 -0.446 0.000 1.193 595 Y HN 0.772 nan 8.280 nan 0.000 0.452 596 L N 4.555 125.852 121.223 0.123 0.000 2.319 596 L HA 0.538 4.684 4.340 -0.323 0.000 0.281 596 L C -1.932 174.947 176.870 0.015 0.000 1.005 596 L CA -0.972 54.022 54.840 0.256 0.000 0.828 596 L CB 0.199 42.412 42.059 0.256 0.000 1.227 596 L HN 0.478 nan 8.230 nan 0.000 0.415 597 Y N 5.635 126.155 120.300 0.366 0.000 2.385 597 Y HA 0.455 4.798 4.550 -0.346 0.000 0.341 597 Y C 0.458 176.524 175.900 0.277 0.000 0.965 597 Y CA -0.464 57.820 58.100 0.307 0.000 1.180 597 Y CB 0.648 39.287 38.460 0.300 0.000 1.139 597 Y HN 0.800 nan 8.280 nan 0.000 0.502 598 N N 0.141 118.993 118.700 0.253 0.000 3.427 598 N HA 0.344 4.890 4.740 -0.323 0.000 0.364 598 N C 1.439 177.052 175.510 0.172 0.000 1.538 598 N CA -0.227 52.951 53.050 0.214 0.000 0.662 598 N CB -0.332 38.215 38.487 0.101 0.000 1.881 598 N HN 0.467 nan 8.380 nan 0.000 0.634 599 G N -1.182 107.690 108.800 0.119 0.000 2.475 599 G HA2 -0.221 3.545 3.960 -0.323 0.000 0.220 599 G HA3 -0.221 3.545 3.960 -0.323 0.000 0.220 599 G C 0.033 174.968 174.900 0.059 0.000 1.125 599 G CA 1.329 46.484 45.100 0.091 0.000 0.755 599 G HN 0.758 nan 8.290 nan 0.000 0.565 600 D N 0.250 120.666 120.400 0.028 0.000 2.483 600 D HA 0.238 4.684 4.640 -0.323 0.000 0.220 600 D C 1.272 177.555 176.300 -0.029 0.000 1.173 600 D CA -0.524 53.460 54.000 -0.027 0.000 0.964 600 D CB 0.336 41.107 40.800 -0.049 0.000 1.046 600 D HN -0.096 nan 8.370 nan 0.000 0.517 601 L N 2.487 123.690 121.223 -0.033 0.000 2.633 601 L HA -0.023 4.123 4.340 -0.323 0.000 0.235 601 L C 2.046 178.729 176.870 -0.312 0.000 1.163 601 L CA 0.920 55.766 54.840 0.009 0.000 0.859 601 L CB -0.639 41.493 42.059 0.123 0.000 0.973 601 L HN 0.468 nan 8.230 nan 0.000 0.451 602 S N -3.590 111.786 115.700 -0.539 0.000 2.539 602 S HA -0.023 4.253 4.470 -0.323 0.000 0.221 602 S C 1.918 176.325 174.600 -0.321 0.000 0.987 602 S CA -0.299 57.461 58.200 -0.733 0.000 0.929 602 S CB -0.508 62.192 63.200 -0.833 0.000 0.832 602 S HN 0.458 nan 8.310 nan 0.000 0.492 603 H N 1.633 120.487 119.070 -0.360 0.000 2.289 603 H HA -0.181 4.183 4.556 -0.321 0.000 0.294 603 H C 0.359 175.309 175.328 -0.629 0.000 1.095 603 H CA 2.170 57.905 56.048 -0.521 0.000 1.256 603 H CB -0.350 28.972 29.762 -0.735 0.000 1.359 603 H HN 0.589 nan 8.280 nan 0.000 0.487 604 Y N 0.631 120.812 120.300 -0.199 0.000 2.470 604 Y HA 0.201 4.565 4.550 -0.309 0.000 0.302 604 Y C 0.884 176.741 175.900 -0.073 0.000 1.194 604 Y CA -0.176 57.647 58.100 -0.462 0.000 1.271 604 Y CB 0.343 38.617 38.460 -0.309 0.000 1.092 604 Y HN -0.008 nan 8.280 nan 0.000 0.513 605 S N -1.486 114.273 115.700 0.099 0.000 2.874 605 S HA 0.263 4.539 4.470 -0.323 0.000 0.318 605 S C -0.634 174.087 174.600 0.201 0.000 1.109 605 S CA -0.903 57.449 58.200 0.254 0.000 0.878 605 S CB 1.086 64.468 63.200 0.304 0.000 1.307 605 S HN 0.233 nan 8.310 nan 0.000 0.592 606 D N 0.798 121.361 120.400 0.273 0.000 2.697 606 D HA -0.129 4.317 4.640 -0.323 0.000 0.238 606 D C 0.774 177.196 176.300 0.203 0.000 1.152 606 D CA 1.356 55.491 54.000 0.225 0.000 0.666 606 D CB -1.523 39.354 40.800 0.129 0.000 1.037 606 D HN 1.194 nan 8.370 nan 0.000 0.423 607 G N -0.545 108.448 108.800 0.322 0.000 2.148 607 G HA2 -0.468 3.298 3.960 -0.323 0.000 0.254 607 G HA3 -0.468 3.298 3.960 -0.323 0.000 0.254 607 G C 0.633 175.501 174.900 -0.053 0.000 0.981 607 G CA 0.920 46.093 45.100 0.123 0.000 0.670 607 G HN 0.552 nan 8.290 nan 0.000 0.528 608 Y N -0.355 119.886 120.300 -0.098 0.000 2.097 608 Y HA -0.099 4.257 4.550 -0.323 0.000 0.282 608 Y C 2.584 178.254 175.900 -0.384 0.000 1.152 608 Y CA 2.675 60.636 58.100 -0.233 0.000 1.136 608 Y CB -0.369 37.857 38.460 -0.390 0.000 0.975 608 Y HN 0.363 nan 8.280 nan 0.000 0.498 609 W N 1.090 122.330 121.300 -0.100 0.000 2.358 609 W HA -0.123 4.334 4.660 -0.339 0.000 0.303 609 W C -0.349 175.814 176.519 -0.594 0.000 1.208 609 W CA 1.218 58.377 57.345 -0.311 0.000 1.274 609 W CB -1.473 27.920 29.460 -0.111 0.000 1.138 609 W HN 0.197 nan 8.180 nan 0.000 0.515 610 P HA -0.002 nan 4.420 nan 0.000 0.236 610 P C 1.028 178.068 177.300 -0.434 0.000 1.177 610 P CA 1.755 64.474 63.100 -0.635 0.000 0.773 610 P CB 0.080 31.149 31.700 -1.053 0.000 0.878 611 T N -4.313 109.979 114.554 -0.436 0.000 2.985 611 T HA 0.148 4.304 4.350 -0.323 0.000 0.254 611 T C 0.662 174.962 174.700 -0.666 0.000 1.021 611 T CA -0.203 61.663 62.100 -0.391 0.000 0.957 611 T CB -0.578 68.174 68.868 -0.193 0.000 1.047 611 T HN -0.117 nan 8.240 nan 0.000 0.511 612 V N 3.258 122.670 119.914 -0.838 0.000 2.715 612 V HA 0.335 4.261 4.120 -0.323 0.000 0.299 612 V C 0.051 175.760 176.094 -0.642 0.000 1.054 612 V CA -0.766 60.878 62.300 -1.094 0.000 1.077 612 V CB 0.621 31.747 31.823 -1.160 0.000 0.972 612 V HN 0.486 nan 8.190 nan 0.000 0.484 613 N N 8.646 127.011 118.700 -0.558 0.000 2.400 613 N HA 0.202 4.748 4.740 -0.323 0.000 0.267 613 N C -1.337 174.100 175.510 -0.121 0.000 1.208 613 N CA -1.755 51.147 53.050 -0.247 0.000 0.951 613 N CB 1.253 39.642 38.487 -0.163 0.000 1.227 613 N HN 0.518 nan 8.380 nan 0.000 0.488 614 P HA -0.135 nan 4.420 nan 0.000 0.225 614 P C 0.481 177.882 177.300 0.169 0.000 1.148 614 P CA 1.107 64.177 63.100 -0.050 0.000 0.779 614 P CB 0.053 31.602 31.700 -0.251 0.000 0.780 615 Y N 0.576 121.043 120.300 0.279 0.000 2.544 615 Y HA 0.096 4.452 4.550 -0.323 0.000 0.286 615 Y C 1.434 177.437 175.900 0.172 0.000 1.141 615 Y CA 0.795 59.086 58.100 0.318 0.000 1.299 615 Y CB -0.054 38.506 38.460 0.167 0.000 1.030 615 Y HN -0.072 nan 8.280 nan 0.000 0.543 616 K N 0.082 120.616 120.400 0.224 0.000 3.237 616 K HA 0.217 4.344 4.320 -0.323 0.000 0.197 616 K C -0.619 176.025 176.600 0.074 0.000 1.133 616 K CA -0.323 56.031 56.287 0.110 0.000 0.944 616 K CB 0.386 32.917 32.500 0.052 0.000 0.952 616 K HN -0.058 nan 8.250 nan 0.000 0.515 617 M N 1.789 121.464 119.600 0.125 0.000 2.248 617 M HA 0.124 4.410 4.480 -0.323 0.000 0.345 617 M C -2.321 174.018 176.300 0.064 0.000 1.243 617 M CA -2.863 52.492 55.300 0.091 0.000 1.090 617 M CB -0.701 31.999 32.600 0.165 0.000 1.683 617 M HN -0.060 nan 8.290 nan 0.000 0.450 618 P HA 0.076 nan 4.420 nan 0.000 0.258 618 P C 0.872 178.304 177.300 0.221 0.000 1.172 618 P CA 1.228 64.306 63.100 -0.035 0.000 0.762 618 P CB 0.264 31.679 31.700 -0.474 0.000 0.764 619 G N 1.923 110.999 108.800 0.461 0.000 2.225 619 G HA2 -0.247 3.519 3.960 -0.323 0.000 0.254 619 G HA3 -0.247 3.519 3.960 -0.323 0.000 0.254 619 G C 0.434 175.577 174.900 0.405 0.000 0.988 619 G CA 0.386 45.861 45.100 0.626 0.000 0.625 619 G HN 0.758 nan 8.290 nan 0.000 0.527 620 T N -1.159 113.541 114.554 0.243 0.000 2.849 620 T HA 0.588 4.744 4.350 -0.323 0.000 0.284 620 T C 0.001 174.740 174.700 0.065 0.000 1.004 620 T CA 0.577 62.752 62.100 0.125 0.000 1.021 620 T CB 1.981 70.901 68.868 0.086 0.000 1.013 620 T HN 0.399 nan 8.240 nan 0.000 0.527 621 T N 2.743 117.295 114.554 -0.004 0.000 2.833 621 T HA 0.521 4.678 4.350 -0.323 0.000 0.297 621 T C -0.714 174.086 174.700 0.167 0.000 1.015 621 T CA -0.735 61.441 62.100 0.128 0.000 0.963 621 T CB 0.926 69.933 68.868 0.231 0.000 0.955 621 T HN 0.658 nan 8.240 nan 0.000 0.449 622 E N 1.521 121.789 120.200 0.113 0.000 2.450 622 E HA 0.570 4.726 4.350 -0.323 0.000 0.272 622 E C -0.331 176.342 176.600 0.120 0.000 0.967 622 E CA -0.847 55.602 56.400 0.083 0.000 0.818 622 E CB 1.417 30.976 29.700 -0.236 0.000 1.401 622 E HN 0.620 nan 8.360 nan 0.000 0.450 623 T N -2.164 112.477 114.554 0.145 0.000 2.945 623 T HA 0.253 4.409 4.350 -0.323 0.000 0.286 623 T C 0.509 175.273 174.700 0.107 0.000 1.025 623 T CA -0.763 61.410 62.100 0.120 0.000 1.039 623 T CB 0.940 69.879 68.868 0.118 0.000 1.068 623 T HN 0.441 nan 8.240 nan 0.000 0.497 624 D N 0.242 120.667 120.400 0.041 0.000 2.332 624 D HA 0.121 4.568 4.640 -0.323 0.000 0.244 624 D C 0.770 177.030 176.300 -0.067 0.000 1.136 624 D CA -0.426 53.551 54.000 -0.039 0.000 0.884 624 D CB -0.741 40.017 40.800 -0.070 0.000 0.906 624 D HN 0.762 nan 8.370 nan 0.000 0.520 625 A N 0.734 123.593 122.820 0.066 0.000 2.483 625 A HA 0.161 4.287 4.320 -0.323 0.000 0.238 625 A C 0.493 178.098 177.584 0.035 0.000 1.070 625 A CA -0.245 51.855 52.037 0.106 0.000 0.770 625 A CB 0.352 19.525 19.000 0.289 0.000 1.008 625 A HN 0.170 nan 8.150 nan 0.000 0.497 626 K N 1.281 121.666 120.400 -0.025 0.000 2.237 626 K HA 0.338 4.464 4.320 -0.323 0.000 0.270 626 K C -0.190 176.355 176.600 -0.092 0.000 1.015 626 K CA -0.341 55.901 56.287 -0.074 0.000 0.949 626 K CB 0.513 32.978 32.500 -0.058 0.000 0.976 626 K HN 0.565 nan 8.250 nan 0.000 0.472 627 R N 0.626 120.973 120.500 -0.256 0.000 2.778 627 R HA 0.466 4.612 4.340 -0.323 0.000 0.277 627 R C -0.709 175.265 176.300 -0.543 0.000 0.977 627 R CA -0.933 54.651 56.100 -0.861 0.000 0.950 627 R CB 1.777 30.767 30.300 -2.183 0.000 1.165 627 R HN 0.731 nan 8.270 nan 0.000 0.474 628 A N 0.957 123.553 122.820 -0.372 0.000 2.309 628 A HA 0.272 4.398 4.320 -0.323 0.000 0.298 628 A C 0.219 177.880 177.584 0.128 0.000 1.165 628 A CA -0.455 51.543 52.037 -0.065 0.000 0.821 628 A CB 0.415 19.401 19.000 -0.023 0.000 1.102 628 A HN 0.657 nan 8.150 nan 0.000 0.500 629 D N 0.969 121.464 120.400 0.157 0.000 2.263 629 D HA -0.120 4.326 4.640 -0.323 0.000 0.208 629 D C 1.965 178.280 176.300 0.025 0.000 0.971 629 D CA 2.086 56.151 54.000 0.108 0.000 0.867 629 D CB 0.123 40.958 40.800 0.059 0.000 0.929 629 D HN 0.587 nan 8.370 nan 0.000 0.492 630 S N -0.714 115.051 115.700 0.108 0.000 2.593 630 S HA 0.034 4.310 4.470 -0.323 0.000 0.217 630 S C 0.530 175.266 174.600 0.227 0.000 0.966 630 S CA -0.453 57.861 58.200 0.190 0.000 0.914 630 S CB 0.213 63.494 63.200 0.135 0.000 0.776 630 S HN -0.060 nan 8.310 nan 0.000 0.523 631 D N 2.842 123.356 120.400 0.190 0.000 2.354 631 D HA 0.415 4.861 4.640 -0.323 0.000 0.238 631 D C 0.553 177.059 176.300 0.343 0.000 1.250 631 D CA 0.814 54.948 54.000 0.223 0.000 0.911 631 D CB 0.866 41.774 40.800 0.181 0.000 1.163 631 D HN 0.503 nan 8.370 nan 0.000 0.456 632 T N -2.868 111.843 114.554 0.262 0.000 2.896 632 T HA 0.695 4.851 4.350 -0.323 0.000 0.297 632 T C 0.320 175.068 174.700 0.081 0.000 1.108 632 T CA -1.093 61.071 62.100 0.107 0.000 1.004 632 T CB 1.447 70.332 68.868 0.029 0.000 1.159 632 T HN 0.268 nan 8.240 nan 0.000 0.499 633 G N 0.900 109.554 108.800 -0.244 0.000 2.599 633 G HA2 0.596 4.362 3.960 -0.323 0.000 0.264 633 G HA3 0.596 4.362 3.960 -0.323 0.000 0.264 633 G C -0.570 174.374 174.900 0.072 0.000 1.200 633 G CA -0.766 44.335 45.100 0.001 0.000 0.896 633 G HN 0.931 nan 8.290 nan 0.000 0.536 634 K N -1.156 119.336 120.400 0.153 0.000 2.430 634 K HA 0.625 4.751 4.320 -0.323 0.000 0.268 634 K C -0.246 176.515 176.600 0.268 0.000 1.043 634 K CA -0.799 55.599 56.287 0.185 0.000 0.899 634 K CB 1.102 33.739 32.500 0.228 0.000 1.472 634 K HN 0.543 nan 8.250 nan 0.000 0.451 635 V N -1.767 118.322 119.914 0.293 0.000 3.369 635 V HA 0.509 4.435 4.120 -0.323 0.000 0.309 635 V C 0.053 176.425 176.094 0.464 0.000 1.069 635 V CA -1.033 61.505 62.300 0.396 0.000 1.042 635 V CB 0.649 32.607 31.823 0.226 0.000 1.192 635 V HN 0.630 nan 8.190 nan 0.000 0.447 636 L N 1.113 122.498 121.223 0.269 0.000 2.360 636 L HA 0.586 4.732 4.340 -0.323 0.000 0.271 636 L C -1.872 175.030 176.870 0.053 0.000 1.057 636 L CA -1.468 53.392 54.840 0.033 0.000 0.803 636 L CB 1.381 43.200 42.059 -0.400 0.000 1.207 636 L HN 0.468 nan 8.230 nan 0.000 0.445 637 P HA -0.031 nan 4.420 nan 0.000 0.215 637 P C -0.043 177.283 177.300 0.043 0.000 1.157 637 P CA 0.660 63.788 63.100 0.046 0.000 0.859 637 P CB 0.197 31.918 31.700 0.035 0.000 0.786 638 S N -1.298 114.428 115.700 0.043 0.000 2.585 638 S HA 0.390 4.666 4.470 -0.323 0.000 0.273 638 S C 1.029 175.668 174.600 0.065 0.000 1.339 638 S CA -0.061 58.184 58.200 0.074 0.000 1.028 638 S CB 0.310 63.588 63.200 0.131 0.000 0.906 638 S HN 0.061 nan 8.310 nan 0.000 0.528 639 A N 3.268 126.142 122.820 0.090 0.000 2.390 639 A HA 0.329 4.456 4.320 -0.323 0.000 0.232 639 A C 0.364 178.002 177.584 0.091 0.000 1.233 639 A CA -0.295 51.782 52.037 0.067 0.000 0.907 639 A CB -0.186 18.847 19.000 0.055 0.000 0.967 639 A HN 0.716 nan 8.150 nan 0.000 0.512 640 F N 1.745 121.671 119.950 -0.039 0.000 2.659 640 F HA 0.440 4.784 4.527 -0.305 0.000 0.360 640 F C -0.489 175.292 175.800 -0.032 0.000 1.218 640 F CA -0.446 57.511 58.000 -0.072 0.000 1.317 640 F CB 0.021 38.952 39.000 -0.114 0.000 1.697 640 F HN -0.084 nan 8.300 nan 0.000 0.637 641 V N 2.041 121.825 119.914 -0.217 0.000 2.623 641 V HA 0.909 4.835 4.120 -0.323 0.000 0.304 641 V C 0.036 176.042 176.094 -0.147 0.000 1.054 641 V CA -0.449 61.760 62.300 -0.153 0.000 0.882 641 V CB 1.270 33.078 31.823 -0.026 0.000 1.002 641 V HN 0.601 nan 8.190 nan 0.000 0.424 642 G N 2.399 111.118 108.800 -0.135 0.000 2.356 642 G HA2 0.611 4.377 3.960 -0.323 0.000 0.294 642 G HA3 0.611 4.377 3.960 -0.323 0.000 0.294 642 G C -1.293 173.578 174.900 -0.050 0.000 1.423 642 G CA -0.390 44.695 45.100 -0.025 0.000 0.806 642 G HN 0.542 nan 8.290 nan 0.000 0.527 643 T N 0.106 114.596 114.554 -0.107 0.000 2.886 643 T HA 0.636 4.792 4.350 -0.323 0.000 0.292 643 T C -0.591 173.944 174.700 -0.275 0.000 1.012 643 T CA -0.401 61.605 62.100 -0.158 0.000 0.982 643 T CB 1.662 70.442 68.868 -0.148 0.000 1.018 643 T HN 0.738 nan 8.240 nan 0.000 0.451 644 S N 2.458 118.068 115.700 -0.150 0.000 2.498 644 S HA 0.433 4.709 4.470 -0.323 0.000 0.324 644 S C -0.420 174.130 174.600 -0.084 0.000 1.071 644 S CA -0.789 57.329 58.200 -0.136 0.000 1.113 644 S CB 0.156 63.332 63.200 -0.039 0.000 0.976 644 S HN 0.618 nan 8.310 nan 0.000 0.462 645 K N 4.957 125.290 120.400 -0.113 0.000 2.234 645 K HA 0.310 4.436 4.320 -0.323 0.000 0.277 645 K C 0.580 177.167 176.600 -0.022 0.000 1.038 645 K CA -0.653 55.596 56.287 -0.063 0.000 0.888 645 K CB 0.933 33.377 32.500 -0.094 0.000 1.091 645 K HN 0.601 nan 8.250 nan 0.000 0.467 646 L N 3.985 125.218 121.223 0.017 0.000 2.145 646 L HA 0.132 4.278 4.340 -0.323 0.000 0.201 646 L C -0.102 176.782 176.870 0.023 0.000 1.075 646 L CA 1.709 56.571 54.840 0.036 0.000 0.773 646 L CB -0.025 42.078 42.059 0.073 0.000 0.936 646 L HN 0.945 nan 8.230 nan 0.000 0.451 647 D N -3.817 116.595 120.400 0.019 0.000 3.009 647 D HA 0.149 4.595 4.640 -0.323 0.000 0.318 647 D C -0.054 176.250 176.300 0.008 0.000 1.273 647 D CA -0.355 53.653 54.000 0.013 0.000 1.001 647 D CB -0.314 40.495 40.800 0.016 0.000 1.411 647 D HN -0.160 nan 8.370 nan 0.000 0.577 648 D N -1.005 119.401 120.400 0.010 0.000 2.349 648 D HA 0.244 4.690 4.640 -0.323 0.000 0.224 648 D C 0.728 177.020 176.300 -0.013 0.000 1.029 648 D CA 0.683 54.692 54.000 0.015 0.000 0.879 648 D CB 0.671 41.492 40.800 0.036 0.000 0.906 648 D HN 0.436 nan 8.370 nan 0.000 0.528 649 A N -0.025 122.785 122.820 -0.017 0.000 2.242 649 A HA 0.110 4.236 4.320 -0.323 0.000 0.205 649 A C 0.543 178.123 177.584 -0.006 0.000 1.353 649 A CA -0.183 51.832 52.037 -0.036 0.000 1.005 649 A CB 0.683 19.656 19.000 -0.045 0.000 1.127 649 A HN -0.037 nan 8.150 nan 0.000 0.498 650 N N 0.399 119.108 118.700 0.016 0.000 2.354 650 N HA 0.671 5.217 4.740 -0.323 0.000 0.287 650 N C -0.786 174.753 175.510 0.049 0.000 1.016 650 N CA 0.367 53.443 53.050 0.045 0.000 0.871 650 N CB 2.050 40.574 38.487 0.062 0.000 1.299 650 N HN 0.397 nan 8.380 nan 0.000 0.482 651 A N 1.028 123.883 122.820 0.059 0.000 2.599 651 A HA 0.825 4.951 4.320 -0.323 0.000 0.290 651 A C -1.096 176.511 177.584 0.039 0.000 1.101 651 A CA -0.530 51.530 52.037 0.038 0.000 0.674 651 A CB 1.616 20.619 19.000 0.005 0.000 1.277 651 A HN 0.392 nan 8.150 nan 0.000 0.419 652 T N 0.247 114.798 114.554 -0.004 0.000 2.952 652 T HA 0.771 4.927 4.350 -0.323 0.000 0.305 652 T C -0.458 174.188 174.700 -0.091 0.000 1.064 652 T CA 0.242 62.283 62.100 -0.098 0.000 1.008 652 T CB 1.671 70.506 68.868 -0.055 0.000 1.078 652 T HN 1.831 nan 8.240 nan 0.000 0.459 653 A N 1.644 124.411 122.820 -0.089 0.000 2.469 653 A HA 0.975 5.101 4.320 -0.323 0.000 0.299 653 A C -0.447 177.205 177.584 0.113 0.000 1.098 653 A CA -0.822 51.236 52.037 0.036 0.000 0.737 653 A CB 2.293 21.360 19.000 0.111 0.000 1.312 653 A HN 0.748 nan 8.150 nan 0.000 0.414 654 T N 0.412 115.027 114.554 0.102 0.000 2.868 654 T HA 0.677 4.833 4.350 -0.323 0.000 0.306 654 T C -1.443 173.365 174.700 0.179 0.000 1.224 654 T CA -0.378 61.791 62.100 0.114 0.000 1.012 654 T CB 1.169 70.005 68.868 -0.053 0.000 1.221 654 T HN 1.029 nan 8.240 nan 0.000 0.499 655 M N 3.492 123.270 119.600 0.296 0.000 2.206 655 M HA 0.378 4.664 4.480 -0.323 0.000 0.272 655 M C -1.683 174.855 176.300 0.396 0.000 1.012 655 M CA -0.623 54.868 55.300 0.319 0.000 0.986 655 M CB 1.662 34.542 32.600 0.467 0.000 1.740 655 M HN 0.503 nan 8.290 nan 0.000 0.472 656 D N 4.828 125.465 120.400 0.395 0.000 2.455 656 D HA 0.133 4.579 4.640 -0.323 0.000 0.234 656 D C -1.286 175.232 176.300 0.364 0.000 1.224 656 D CA 0.232 54.503 54.000 0.451 0.000 0.999 656 D CB -0.040 41.030 40.800 0.450 0.000 1.072 656 D HN 0.461 nan 8.370 nan 0.000 0.514 657 F N 2.539 122.633 119.950 0.239 0.000 2.412 657 F HA 0.367 4.708 4.527 -0.311 0.000 0.348 657 F C -0.132 175.776 175.800 0.180 0.000 1.102 657 F CA -0.099 58.023 58.000 0.203 0.000 1.196 657 F CB 1.025 40.180 39.000 0.259 0.000 1.144 657 F HN 0.010 nan 8.300 nan 0.000 0.541 658 T N 5.957 120.088 114.554 -0.705 0.000 2.952 658 T HA 0.248 4.405 4.350 -0.323 0.000 0.305 658 T C -0.620 173.457 174.700 -1.038 0.000 1.064 658 T CA -1.074 60.644 62.100 -0.637 0.000 1.008 658 T CB 1.236 69.967 68.868 -0.229 0.000 1.078 658 T HN 0.697 nan 8.240 nan 0.000 0.459 659 N N 2.097 120.337 118.700 -0.766 0.000 2.347 659 N HA 0.045 4.591 4.740 -0.323 0.000 0.253 659 N C 1.719 177.205 175.510 -0.039 0.000 1.274 659 N CA -0.937 51.911 53.050 -0.336 0.000 0.941 659 N CB 0.537 39.008 38.487 -0.027 0.000 1.200 659 N HN 0.922 nan 8.380 nan 0.000 0.514 660 W N 1.170 122.583 121.300 0.189 0.000 2.331 660 W HA -0.187 4.276 4.660 -0.328 0.000 0.291 660 W C 0.407 176.999 176.519 0.122 0.000 1.214 660 W CA 1.470 58.935 57.345 0.200 0.000 1.228 660 W CB -1.064 28.543 29.460 0.244 0.000 1.135 660 W HN 0.791 nan 8.180 nan 0.000 0.537 661 N N 0.333 118.422 118.700 -1.018 0.000 2.214 661 N HA 0.087 4.633 4.740 -0.323 0.000 0.214 661 N C 0.053 175.284 175.510 -0.465 0.000 1.132 661 N CA -0.001 52.498 53.050 -0.917 0.000 0.856 661 N CB -0.142 37.346 38.487 -1.664 0.000 1.020 661 N HN -0.129 nan 8.380 nan 0.000 0.509 662 Q N 0.286 119.888 119.800 -0.329 0.000 2.478 662 Q HA -0.140 4.006 4.340 -0.323 0.000 0.286 662 Q C 0.143 176.030 176.000 -0.189 0.000 1.299 662 Q CA 1.462 57.142 55.803 -0.205 0.000 0.826 662 Q CB -2.373 26.287 28.738 -0.129 0.000 1.199 662 Q HN 0.739 nan 8.270 nan 0.000 0.451 663 T N -3.387 111.037 114.554 -0.217 0.000 3.084 663 T HA 0.526 4.682 4.350 -0.323 0.000 0.270 663 T C 0.254 174.903 174.700 -0.085 0.000 1.008 663 T CA 0.068 62.083 62.100 -0.142 0.000 0.900 663 T CB 0.482 69.260 68.868 -0.150 0.000 1.084 663 T HN 0.334 nan 8.240 nan 0.000 0.538 664 L N 1.622 122.788 121.223 -0.093 0.000 2.526 664 L HA 0.679 4.825 4.340 -0.323 0.000 0.263 664 L C -1.251 175.583 176.870 -0.060 0.000 0.943 664 L CA -0.378 54.448 54.840 -0.024 0.000 0.859 664 L CB 2.174 44.274 42.059 0.067 0.000 1.313 664 L HN 0.357 nan 8.230 nan 0.000 0.406 665 T N 1.318 115.878 114.554 0.009 0.000 2.907 665 T HA 1.005 5.161 4.350 -0.323 0.000 0.290 665 T C -0.613 174.176 174.700 0.149 0.000 1.066 665 T CA -0.296 61.828 62.100 0.039 0.000 1.012 665 T CB 2.172 71.050 68.868 0.017 0.000 1.184 665 T HN 1.370 nan 8.240 nan 0.000 0.522 666 A N 0.997 123.958 122.820 0.235 0.000 2.596 666 A HA 0.513 4.639 4.320 -0.323 0.000 0.305 666 A C -1.672 176.091 177.584 0.298 0.000 1.032 666 A CA -0.945 51.199 52.037 0.178 0.000 0.776 666 A CB 0.311 19.456 19.000 0.241 0.000 1.253 666 A HN 0.947 nan 8.150 nan 0.000 0.402 667 H N 1.931 120.975 119.070 -0.042 0.000 2.782 667 H HA 0.405 4.767 4.556 -0.324 0.000 0.285 667 H C -0.225 175.070 175.328 -0.056 0.000 1.093 667 H CA 0.226 56.239 56.048 -0.058 0.000 1.410 667 H CB 0.641 30.184 29.762 -0.365 0.000 1.439 667 H HN 0.481 nan 8.280 nan 0.000 0.469 668 K N 2.417 122.882 120.400 0.108 0.000 2.265 668 K HA 0.517 4.643 4.320 -0.323 0.000 0.267 668 K C -0.381 175.890 176.600 -0.549 0.000 0.994 668 K CA -0.517 55.629 56.287 -0.236 0.000 0.860 668 K CB 1.548 33.939 32.500 -0.182 0.000 1.099 668 K HN 0.401 nan 8.250 nan 0.000 0.448 669 S N 1.904 117.195 115.700 -0.683 0.000 2.542 669 S HA 0.522 4.799 4.470 -0.323 0.000 0.293 669 S C -1.267 172.843 174.600 -0.817 0.000 1.089 669 S CA -0.931 56.917 58.200 -0.588 0.000 0.961 669 S CB 1.185 64.305 63.200 -0.134 0.000 1.062 669 S HN 0.434 nan 8.310 nan 0.000 0.483 670 W N 1.913 122.976 121.300 -0.395 0.000 2.785 670 W HA 0.501 5.207 4.660 0.077 0.000 0.333 670 W C -1.845 174.271 176.519 -0.671 0.000 1.062 670 W CA -0.831 56.272 57.345 -0.403 0.000 1.233 670 W CB 1.277 30.571 29.460 -0.277 0.000 1.413 670 W HN 0.522 nan 8.180 nan 0.000 0.489 671 F N 2.663 122.658 119.950 0.074 0.000 2.430 671 F HA 0.392 4.741 4.527 -0.297 0.000 0.362 671 F C 0.242 176.054 175.800 0.020 0.000 1.103 671 F CA -0.799 57.242 58.000 0.068 0.000 1.045 671 F CB 0.866 39.902 39.000 0.060 0.000 1.276 671 F HN -0.069 nan 8.300 nan 0.000 0.444 672 M N 5.075 124.737 119.600 0.103 0.000 2.108 672 M HA 0.368 4.654 4.480 -0.323 0.000 0.347 672 M C -0.688 175.655 176.300 0.072 0.000 1.326 672 M CA 0.169 55.487 55.300 0.031 0.000 1.126 672 M CB 0.594 33.211 32.600 0.030 0.000 1.606 672 M HN 0.441 nan 8.290 nan 0.000 0.462 673 L N 4.368 125.628 121.223 0.062 0.000 2.457 673 L HA 0.334 4.480 4.340 -0.323 0.000 0.252 673 L C 0.769 177.657 176.870 0.030 0.000 1.132 673 L CA -0.377 54.496 54.840 0.055 0.000 0.938 673 L CB 0.440 42.539 42.059 0.066 0.000 1.246 673 L HN 0.857 nan 8.230 nan 0.000 0.476 674 K N 1.493 121.897 120.400 0.007 0.000 10.341 674 K HA -0.309 3.818 4.320 -0.323 0.000 0.518 674 K C 0.643 177.240 176.600 -0.005 0.000 0.380 674 K CA 2.646 58.919 56.287 -0.023 0.000 1.946 674 K CB -0.545 31.939 32.500 -0.027 0.000 0.755 674 K HN 0.835 nan 8.250 nan 0.000 1.155 675 D N 0.314 120.760 120.400 0.076 0.000 2.535 675 D HA 0.198 4.644 4.640 -0.323 0.000 0.229 675 D C -0.329 176.132 176.300 0.268 0.000 1.238 675 D CA -0.043 54.090 54.000 0.222 0.000 0.824 675 D CB 0.315 41.204 40.800 0.148 0.000 1.045 675 D HN 0.570 nan 8.370 nan 0.000 0.500 676 K N -0.941 119.560 120.400 0.169 0.000 2.642 676 K HA 0.570 4.696 4.320 -0.323 0.000 0.290 676 K C -1.868 174.733 176.600 0.001 0.000 1.006 676 K CA -0.939 55.383 56.287 0.060 0.000 0.869 676 K CB 0.847 33.386 32.500 0.065 0.000 1.499 676 K HN -0.116 nan 8.250 nan 0.000 0.403 677 I N 0.880 121.416 120.570 -0.056 0.000 2.647 677 I HA 0.540 4.517 4.170 -0.323 0.000 0.295 677 I C -0.852 175.350 176.117 0.142 0.000 1.078 677 I CA -0.571 60.670 61.300 -0.097 0.000 1.048 677 I CB 2.125 39.781 38.000 -0.575 0.000 1.239 677 I HN 0.857 nan 8.210 nan 0.000 0.421 678 A N 5.110 128.067 122.820 0.229 0.000 2.317 678 A HA 0.843 4.970 4.320 -0.323 0.000 0.327 678 A C -1.294 176.476 177.584 0.310 0.000 1.178 678 A CA -0.277 51.992 52.037 0.387 0.000 0.817 678 A CB 0.313 19.523 19.000 0.351 0.000 1.189 678 A HN 0.432 nan 8.150 nan 0.000 0.489 679 F N 1.725 121.683 119.950 0.013 0.000 2.444 679 F HA 0.601 4.952 4.527 -0.293 0.000 0.342 679 F C -0.038 175.704 175.800 -0.095 0.000 1.121 679 F CA -0.461 57.434 58.000 -0.173 0.000 0.997 679 F CB 1.645 40.224 39.000 -0.701 0.000 1.130 679 F HN 0.329 nan 8.300 nan 0.000 0.454 680 L N 2.616 123.877 121.223 0.063 0.000 2.408 680 L HA 0.853 4.999 4.340 -0.323 0.000 0.268 680 L C -0.181 176.398 176.870 -0.486 0.000 0.986 680 L CA -0.783 53.986 54.840 -0.118 0.000 0.820 680 L CB 2.401 44.473 42.059 0.022 0.000 1.303 680 L HN 0.746 nan 8.230 nan 0.000 0.411 681 G N 0.856 109.022 108.800 -1.056 0.000 2.719 681 G HA2 0.646 4.412 3.960 -0.323 0.000 0.298 681 G HA3 0.646 4.412 3.960 -0.323 0.000 0.298 681 G C -1.016 173.492 174.900 -0.652 0.000 1.433 681 G CA -0.200 44.230 45.100 -1.118 0.000 1.034 681 G HN 0.608 nan 8.290 nan 0.000 0.517 682 S N 0.441 115.921 115.700 -0.366 0.000 2.794 682 S HA 0.583 4.859 4.470 -0.323 0.000 0.299 682 S C 0.400 174.797 174.600 -0.337 0.000 1.179 682 S CA -0.263 57.758 58.200 -0.297 0.000 0.838 682 S CB 1.178 64.242 63.200 -0.228 0.000 1.206 682 S HN 1.229 nan 8.310 nan 0.000 0.523 683 N N -0.346 118.146 118.700 -0.347 0.000 2.721 683 N HA -0.146 4.400 4.740 -0.323 0.000 0.249 683 N C -1.022 174.334 175.510 -0.256 0.000 1.072 683 N CA 0.261 53.076 53.050 -0.391 0.000 0.710 683 N CB -1.178 36.823 38.487 -0.810 0.000 0.993 683 N HN 0.636 nan 8.380 nan 0.000 0.547 684 I N 1.763 122.221 120.570 -0.187 0.000 2.421 684 I HA 0.030 4.006 4.170 -0.323 0.000 0.291 684 I C 0.447 176.524 176.117 -0.067 0.000 1.089 684 I CA 0.491 61.722 61.300 -0.115 0.000 1.354 684 I CB 0.817 38.699 38.000 -0.197 0.000 1.413 684 I HN 0.195 nan 8.210 nan 0.000 0.513 685 Q N 5.097 124.879 119.800 -0.031 0.000 2.394 685 Q HA 0.484 4.630 4.340 -0.323 0.000 0.273 685 Q C -0.805 175.200 176.000 0.009 0.000 1.089 685 Q CA -0.983 54.808 55.803 -0.019 0.000 0.812 685 Q CB 2.707 31.421 28.738 -0.039 0.000 1.353 685 Q HN 0.466 nan 8.270 nan 0.000 0.438 686 N N -0.069 118.636 118.700 0.009 0.000 2.397 686 N HA 0.226 4.772 4.740 -0.323 0.000 0.291 686 N C -0.701 174.806 175.510 -0.004 0.000 1.065 686 N CA -0.303 52.755 53.050 0.013 0.000 0.884 686 N CB 1.792 40.303 38.487 0.040 0.000 1.551 686 N HN 0.652 nan 8.380 nan 0.000 0.487 687 T N -1.156 113.386 114.554 -0.020 0.000 3.044 687 T HA 0.220 4.376 4.350 -0.323 0.000 0.260 687 T C 0.718 175.401 174.700 -0.028 0.000 1.019 687 T CA -0.053 62.032 62.100 -0.026 0.000 0.921 687 T CB -0.298 68.548 68.868 -0.036 0.000 1.053 687 T HN 0.410 nan 8.240 nan 0.000 0.533 688 S N 1.193 116.878 115.700 -0.026 0.000 2.730 688 S HA 0.425 4.701 4.470 -0.323 0.000 0.284 688 S C 1.320 175.915 174.600 -0.008 0.000 1.153 688 S CA 0.050 58.236 58.200 -0.025 0.000 0.995 688 S CB 1.250 64.430 63.200 -0.033 0.000 1.058 688 S HN 0.317 nan 8.310 nan 0.000 0.552 689 T N -1.936 112.614 114.554 -0.006 0.000 3.081 689 T HA 0.130 4.286 4.350 -0.323 0.000 0.255 689 T C 0.016 174.718 174.700 0.003 0.000 1.113 689 T CA -0.035 62.065 62.100 -0.001 0.000 1.082 689 T CB -0.622 68.244 68.868 -0.003 0.000 0.939 689 T HN 0.589 nan 8.240 nan 0.000 0.506 690 D N 3.519 123.924 120.400 0.008 0.000 2.382 690 D HA 0.196 4.642 4.640 -0.323 0.000 0.240 690 D C 0.658 176.970 176.300 0.020 0.000 1.146 690 D CA 0.227 54.235 54.000 0.014 0.000 0.897 690 D CB 1.018 41.835 40.800 0.030 0.000 1.197 690 D HN 0.435 nan 8.370 nan 0.000 0.432 691 T N -2.208 112.356 114.554 0.016 0.000 2.910 691 T HA 0.581 4.737 4.350 -0.323 0.000 0.293 691 T C -0.135 174.590 174.700 0.043 0.000 1.015 691 T CA -0.950 61.163 62.100 0.021 0.000 1.094 691 T CB 1.377 70.246 68.868 0.002 0.000 0.968 691 T HN 0.417 nan 8.240 nan 0.000 0.521 692 A N 1.220 124.080 122.820 0.068 0.000 2.350 692 A HA 0.963 5.089 4.320 -0.323 0.000 0.324 692 A C -0.184 177.455 177.584 0.093 0.000 1.118 692 A CA -0.621 51.486 52.037 0.117 0.000 0.783 692 A CB 1.226 20.332 19.000 0.177 0.000 1.236 692 A HN 1.746 nan 8.150 nan 0.000 0.457 693 A N 0.618 123.496 122.820 0.097 0.000 2.601 693 A HA 0.781 4.907 4.320 -0.323 0.000 0.291 693 A C -0.497 177.122 177.584 0.059 0.000 1.075 693 A CA -0.383 51.609 52.037 -0.075 0.000 0.671 693 A CB 0.802 19.727 19.000 -0.125 0.000 1.277 693 A HN 0.919 nan 8.150 nan 0.000 0.417 694 T N 1.464 116.022 114.554 0.006 0.000 2.895 694 T HA 0.617 4.773 4.350 -0.323 0.000 0.283 694 T C -0.265 174.428 174.700 -0.012 0.000 1.014 694 T CA -0.044 62.102 62.100 0.077 0.000 1.037 694 T CB 1.260 70.183 68.868 0.092 0.000 1.006 694 T HN 0.602 nan 8.240 nan 0.000 0.468 695 T N 3.543 118.106 114.554 0.014 0.000 2.738 695 T HA 0.321 4.477 4.350 -0.323 0.000 0.298 695 T C 1.542 176.248 174.700 0.009 0.000 0.962 695 T CA -0.393 61.709 62.100 0.004 0.000 0.972 695 T CB 0.232 69.124 68.868 0.040 0.000 0.928 695 T HN 0.431 nan 8.240 nan 0.000 0.474 696 I N 1.407 121.911 120.570 -0.110 0.000 2.439 696 I HA 0.078 4.054 4.170 -0.323 0.000 0.251 696 I C 0.860 176.952 176.117 -0.041 0.000 1.139 696 I CA 0.912 62.063 61.300 -0.248 0.000 1.438 696 I CB 0.276 37.933 38.000 -0.571 0.000 1.085 696 I HN 0.518 nan 8.210 nan 0.000 0.427 697 D N -0.490 119.882 120.400 -0.047 0.000 2.751 697 D HA 0.135 4.581 4.640 -0.323 0.000 0.236 697 D C -1.521 174.778 176.300 -0.002 0.000 1.196 697 D CA -0.428 53.597 54.000 0.041 0.000 0.741 697 D CB 1.346 42.194 40.800 0.080 0.000 1.474 697 D HN -0.075 nan 8.370 nan 0.000 0.452 698 Q N 2.614 122.442 119.800 0.047 0.000 2.533 698 Q HA 0.418 4.564 4.340 -0.323 0.000 0.251 698 Q C -1.320 174.823 176.000 0.237 0.000 0.966 698 Q CA -0.700 55.176 55.803 0.122 0.000 0.714 698 Q CB 1.290 30.073 28.738 0.076 0.000 1.284 698 Q HN 0.204 nan 8.270 nan 0.000 0.478 699 R N 2.183 122.792 120.500 0.181 0.000 2.393 699 R HA 0.301 4.447 4.340 -0.323 0.000 0.310 699 R C -1.064 175.162 176.300 -0.123 0.000 0.968 699 R CA -0.434 55.767 56.100 0.170 0.000 0.867 699 R CB 1.081 31.397 30.300 0.027 0.000 1.124 699 R HN 0.335 nan 8.270 nan 0.000 0.450 700 K N 5.129 125.281 120.400 -0.413 0.000 2.349 700 K HA 0.200 4.327 4.320 -0.323 0.000 0.289 700 K C -0.629 175.646 176.600 -0.543 0.000 1.064 700 K CA -0.213 55.331 56.287 -1.239 0.000 0.947 700 K CB 0.338 31.991 32.500 -1.412 0.000 1.007 700 K HN 0.511 nan 8.250 nan 0.000 0.478 701 L N 3.253 124.209 121.223 -0.445 0.000 2.439 701 L HA 0.332 4.478 4.340 -0.323 0.000 0.259 701 L C 0.128 176.883 176.870 -0.192 0.000 1.129 701 L CA -0.679 54.050 54.840 -0.184 0.000 0.803 701 L CB 1.104 43.109 42.059 -0.089 0.000 1.161 701 L HN 0.630 nan 8.230 nan 0.000 0.462 702 E N -0.304 119.808 120.200 -0.146 0.000 2.158 702 E HA 0.142 4.298 4.350 -0.323 0.000 0.271 702 E C 0.376 176.910 176.600 -0.109 0.000 0.911 702 E CA -0.268 56.051 56.400 -0.134 0.000 0.767 702 E CB 1.832 31.448 29.700 -0.139 0.000 1.120 702 E HN 0.694 nan 8.360 nan 0.000 0.405 703 S N 1.722 117.373 115.700 -0.080 0.000 2.382 703 S HA -0.226 4.050 4.470 -0.323 0.000 0.228 703 S C 1.942 176.506 174.600 -0.060 0.000 1.027 703 S CA 1.568 59.732 58.200 -0.059 0.000 0.991 703 S CB -0.287 62.889 63.200 -0.039 0.000 0.823 703 S HN 0.504 nan 8.310 nan 0.000 0.469 704 S N 2.490 118.153 115.700 -0.061 0.000 2.355 704 S HA -0.012 4.265 4.470 -0.323 0.000 0.222 704 S C 0.877 175.427 174.600 -0.082 0.000 1.031 704 S CA 0.570 58.736 58.200 -0.056 0.000 0.993 704 S CB -0.815 62.358 63.200 -0.043 0.000 0.859 704 S HN 0.627 nan 8.310 nan 0.000 0.453 705 N N 3.546 122.172 118.700 -0.124 0.000 2.955 705 N HA 0.319 4.865 4.740 -0.323 0.000 0.242 705 N C -2.831 172.522 175.510 -0.262 0.000 1.123 705 N CA -1.121 51.815 53.050 -0.190 0.000 0.949 705 N CB 1.364 39.711 38.487 -0.233 0.000 1.214 705 N HN 0.460 nan 8.380 nan 0.000 0.504 706 P HA 0.132 nan 4.420 nan 0.000 0.274 706 P C -1.056 176.124 177.300 -0.200 0.000 1.246 706 P CA 0.015 63.028 63.100 -0.145 0.000 0.795 706 P CB 1.019 32.681 31.700 -0.065 0.000 1.006 707 Y N -0.429 119.842 120.300 -0.049 0.000 2.528 707 Y HA 0.461 4.817 4.550 -0.323 0.000 0.335 707 Y C 0.936 176.815 175.900 -0.036 0.000 1.093 707 Y CA -0.390 57.682 58.100 -0.047 0.000 1.134 707 Y CB 1.975 40.391 38.460 -0.075 0.000 1.253 707 Y HN 0.245 nan 8.280 nan 0.000 0.478 708 K N 1.873 122.400 120.400 0.212 0.000 2.323 708 K HA 0.671 4.797 4.320 -0.323 0.000 0.259 708 K C -1.899 174.738 176.600 0.061 0.000 0.947 708 K CA -0.546 55.782 56.287 0.069 0.000 0.819 708 K CB 1.099 33.643 32.500 0.074 0.000 1.109 708 K HN 0.487 nan 8.250 nan 0.000 0.429 709 V N 5.044 124.912 119.914 -0.075 0.000 2.427 709 V HA 0.360 4.286 4.120 -0.323 0.000 0.286 709 V C -1.097 174.918 176.094 -0.131 0.000 1.034 709 V CA -0.656 61.616 62.300 -0.046 0.000 0.893 709 V CB 0.804 32.571 31.823 -0.095 0.000 0.982 709 V HN 0.624 nan 8.190 nan 0.000 0.452 710 Y N 2.780 123.117 120.300 0.062 0.000 2.341 710 Y HA 0.634 4.990 4.550 -0.324 0.000 0.338 710 Y C -0.072 175.859 175.900 0.053 0.000 0.965 710 Y CA -0.963 57.187 58.100 0.083 0.000 1.108 710 Y CB 2.058 40.610 38.460 0.153 0.000 1.180 710 Y HN 0.345 nan 8.280 nan 0.000 0.458 711 V N 3.867 123.869 119.914 0.147 0.000 2.357 711 V HA 0.263 4.189 4.120 -0.323 0.000 0.284 711 V C -0.364 175.816 176.094 0.143 0.000 1.018 711 V CA -1.278 61.063 62.300 0.067 0.000 0.841 711 V CB 1.080 32.849 31.823 -0.090 0.000 0.991 711 V HN 0.919 nan 8.190 nan 0.000 0.437 712 N N 3.509 122.313 118.700 0.173 0.000 2.725 712 N HA -0.212 4.334 4.740 -0.323 0.000 0.251 712 N C 0.556 176.162 175.510 0.159 0.000 1.031 712 N CA 1.290 54.436 53.050 0.160 0.000 0.720 712 N CB -1.088 37.469 38.487 0.117 0.000 0.930 712 N HN 1.081 nan 8.380 nan 0.000 0.543 713 D N -2.327 118.196 120.400 0.205 0.000 3.070 713 D HA -0.211 4.235 4.640 -0.323 0.000 0.220 713 D C -0.638 175.840 176.300 0.297 0.000 1.176 713 D CA 1.483 55.598 54.000 0.193 0.000 0.924 713 D CB -0.069 40.770 40.800 0.065 0.000 1.124 713 D HN 0.363 nan 8.370 nan 0.000 0.411 714 K N 0.885 121.443 120.400 0.263 0.000 2.221 714 K HA 0.292 4.418 4.320 -0.323 0.000 0.258 714 K C 0.023 176.700 176.600 0.128 0.000 0.944 714 K CA -0.564 55.840 56.287 0.194 0.000 0.823 714 K CB 1.625 34.195 32.500 0.118 0.000 1.113 714 K HN 0.274 nan 8.250 nan 0.000 0.431 715 E N 1.268 121.451 120.200 -0.029 0.000 2.418 715 E HA 0.224 4.381 4.350 -0.323 0.000 0.261 715 E C -0.975 175.562 176.600 -0.105 0.000 1.070 715 E CA -0.062 56.175 56.400 -0.271 0.000 0.931 715 E CB 0.733 30.232 29.700 -0.335 0.000 0.954 715 E HN 0.604 nan 8.360 nan 0.000 0.439 716 A N 2.412 125.159 122.820 -0.121 0.000 2.498 716 A HA 0.505 4.631 4.320 -0.323 0.000 0.298 716 A C -1.139 176.427 177.584 -0.031 0.000 1.075 716 A CA -0.650 51.373 52.037 -0.023 0.000 0.714 716 A CB 2.183 21.175 19.000 -0.012 0.000 1.299 716 A HN 0.440 nan 8.150 nan 0.000 0.407 717 S N 1.240 116.953 115.700 0.022 0.000 2.594 717 S HA 0.479 4.755 4.470 -0.323 0.000 0.322 717 S C -0.283 174.345 174.600 0.046 0.000 1.085 717 S CA -0.333 57.873 58.200 0.011 0.000 1.116 717 S CB 0.099 63.302 63.200 0.005 0.000 0.979 717 S HN 0.525 nan 8.310 nan 0.000 0.465 718 L N 3.262 124.502 121.223 0.029 0.000 2.436 718 L HA 0.385 4.531 4.340 -0.323 0.000 0.265 718 L C 1.140 178.031 176.870 0.034 0.000 1.168 718 L CA -0.321 54.547 54.840 0.047 0.000 0.815 718 L CB 0.737 42.801 42.059 0.009 0.000 1.109 718 L HN 0.570 nan 8.230 nan 0.000 0.462 719 T N -2.171 112.407 114.554 0.040 0.000 2.952 719 T HA 0.311 4.467 4.350 -0.323 0.000 0.286 719 T C 0.627 175.336 174.700 0.014 0.000 1.024 719 T CA -0.825 61.287 62.100 0.020 0.000 1.029 719 T CB 1.764 70.640 68.868 0.014 0.000 1.094 719 T HN 0.557 nan 8.240 nan 0.000 0.515 720 E N 0.090 120.294 120.200 0.006 0.000 2.072 720 E HA -0.014 4.142 4.350 -0.323 0.000 0.190 720 E C 1.490 178.090 176.600 0.000 0.000 0.982 720 E CA 0.835 57.238 56.400 0.004 0.000 0.803 720 E CB -0.014 29.687 29.700 0.000 0.000 0.755 720 E HN 0.696 nan 8.360 nan 0.000 0.453 721 Q N 0.366 120.164 119.800 -0.003 0.000 2.591 721 Q HA 0.074 4.220 4.340 -0.323 0.000 0.204 721 Q C -0.377 175.620 176.000 -0.004 0.000 1.148 721 Q CA 0.097 55.895 55.803 -0.009 0.000 0.981 721 Q CB 0.485 29.214 28.738 -0.015 0.000 3.255 721 Q HN 0.004 nan 8.270 nan 0.000 0.512 722 E N -0.181 120.012 120.200 -0.011 0.000 2.275 722 E HA 0.310 4.466 4.350 -0.323 0.000 0.270 722 E C -1.619 174.967 176.600 -0.024 0.000 0.882 722 E CA -0.499 55.899 56.400 -0.003 0.000 0.758 722 E CB 1.363 31.056 29.700 -0.011 0.000 1.195 722 E HN 0.306 nan 8.360 nan 0.000 0.419 723 K N 2.828 123.226 120.400 -0.003 0.000 2.164 723 K HA 0.302 4.428 4.320 -0.323 0.000 0.258 723 K C -1.070 175.413 176.600 -0.195 0.000 0.951 723 K CA -0.806 55.390 56.287 -0.151 0.000 0.844 723 K CB 1.179 33.532 32.500 -0.245 0.000 1.099 723 K HN 0.473 nan 8.250 nan 0.000 0.435 724 D N 1.944 122.154 120.400 -0.317 0.000 2.177 724 D HA 0.175 4.621 4.640 -0.323 0.000 0.247 724 D C -0.846 175.198 176.300 -0.427 0.000 1.063 724 D CA -0.036 53.836 54.000 -0.213 0.000 0.867 724 D CB 0.968 41.682 40.800 -0.144 0.000 1.168 724 D HN 0.347 nan 8.370 nan 0.000 0.445 725 Y N 1.861 122.109 120.300 -0.086 0.000 2.686 725 Y HA 0.231 4.587 4.550 -0.322 0.000 0.331 725 Y C -1.983 173.852 175.900 -0.109 0.000 0.996 725 Y CA -2.043 56.005 58.100 -0.088 0.000 1.293 725 Y CB 1.500 39.904 38.460 -0.093 0.000 1.092 725 Y HN 0.106 nan 8.280 nan 0.000 0.524 726 P HA 0.013 nan 4.420 nan 0.000 0.274 726 P C -0.242 177.043 177.300 -0.026 0.000 1.237 726 P CA 0.016 63.097 63.100 -0.032 0.000 0.793 726 P CB 0.959 32.636 31.700 -0.039 0.000 0.977 727 E N -1.758 118.416 120.200 -0.044 0.000 2.228 727 E HA -0.145 4.011 4.350 -0.323 0.000 0.213 727 E C -0.507 176.064 176.600 -0.049 0.000 1.282 727 E CA 0.992 57.371 56.400 -0.035 0.000 0.707 727 E CB -2.700 26.997 29.700 -0.005 0.000 1.150 727 E HN 0.441 nan 8.360 nan 0.000 0.362 728 T N 0.700 115.168 114.554 -0.143 0.000 2.817 728 T HA 0.245 4.401 4.350 -0.323 0.000 0.293 728 T C 1.343 175.925 174.700 -0.196 0.000 0.964 728 T CA -0.153 61.829 62.100 -0.195 0.000 1.085 728 T CB 1.649 70.283 68.868 -0.389 0.000 0.921 728 T HN 0.233 nan 8.240 nan 0.000 0.502 729 Q N 2.565 122.386 119.800 0.035 0.000 2.394 729 Q HA 0.201 4.347 4.340 -0.323 0.000 0.218 729 Q C 0.388 176.678 176.000 0.482 0.000 0.907 729 Q CA 0.275 56.209 55.803 0.219 0.000 0.919 729 Q CB 0.612 29.476 28.738 0.209 0.000 1.051 729 Q HN 0.767 nan 8.270 nan 0.000 0.538 730 S N -2.180 113.780 115.700 0.433 0.000 2.578 730 S HA 0.678 4.954 4.470 -0.323 0.000 0.272 730 S C -1.418 173.442 174.600 0.434 0.000 1.145 730 S CA -0.857 57.697 58.200 0.588 0.000 0.835 730 S CB 1.476 65.033 63.200 0.595 0.000 1.104 730 S HN -0.052 nan 8.310 nan 0.000 0.458 731 V N 2.002 122.190 119.914 0.457 0.000 2.686 731 V HA 0.708 4.634 4.120 -0.323 0.000 0.306 731 V C -1.616 174.639 176.094 0.268 0.000 1.065 731 V CA -0.507 61.949 62.300 0.260 0.000 0.894 731 V CB 1.653 33.516 31.823 0.066 0.000 1.004 731 V HN 0.905 nan 8.190 nan 0.000 0.424 732 F N 5.533 125.496 119.950 0.020 0.000 2.477 732 F HA 0.678 5.011 4.527 -0.322 0.000 0.335 732 F C -0.643 175.132 175.800 -0.042 0.000 1.130 732 F CA -0.740 57.158 58.000 -0.169 0.000 0.948 732 F CB 1.494 40.346 39.000 -0.248 0.000 1.154 732 F HN 0.310 nan 8.300 nan 0.000 0.439 733 L N 5.795 126.563 121.223 -0.759 0.000 2.264 733 L HA 0.421 4.567 4.340 -0.323 0.000 0.287 733 L C -0.215 176.278 176.870 -0.628 0.000 1.039 733 L CA -0.417 54.035 54.840 -0.646 0.000 0.829 733 L CB 1.186 42.637 42.059 -1.014 0.000 1.211 733 L HN 0.607 nan 8.230 nan 0.000 0.427 734 E N 2.422 122.626 120.200 0.006 0.000 2.231 734 E HA 0.462 4.618 4.350 -0.323 0.000 0.277 734 E C -0.908 175.898 176.600 0.344 0.000 0.999 734 E CA -0.249 56.299 56.400 0.246 0.000 0.827 734 E CB 1.837 31.877 29.700 0.567 0.000 1.101 734 E HN 0.521 nan 8.360 nan 0.000 0.393 735 S N 1.477 117.283 115.700 0.177 0.000 2.671 735 S HA 0.230 4.506 4.470 -0.323 0.000 0.299 735 S C 0.613 175.222 174.600 0.015 0.000 1.116 735 S CA -0.101 58.078 58.200 -0.035 0.000 0.912 735 S CB 1.435 64.526 63.200 -0.181 0.000 1.130 735 S HN 0.557 nan 8.310 nan 0.000 0.501 736 S N 0.688 116.367 115.700 -0.034 0.000 2.561 736 S HA 0.096 4.372 4.470 -0.323 0.000 0.225 736 S C 0.076 174.681 174.600 0.007 0.000 0.977 736 S CA 0.412 58.612 58.200 0.000 0.000 0.926 736 S CB -0.443 62.747 63.200 -0.017 0.000 0.769 736 S HN 0.710 nan 8.310 nan 0.000 0.533 737 D N 1.283 121.679 120.400 -0.006 0.000 2.481 737 D HA 0.400 4.846 4.640 -0.323 0.000 0.246 737 D C 0.975 177.295 176.300 0.033 0.000 1.109 737 D CA -0.260 53.747 54.000 0.010 0.000 0.845 737 D CB 1.956 42.751 40.800 -0.008 0.000 1.160 737 D HN 0.057 nan 8.370 nan 0.000 0.534 738 S N 3.634 119.368 115.700 0.057 0.000 2.442 738 S HA -0.145 4.131 4.470 -0.323 0.000 0.236 738 S C 1.481 176.122 174.600 0.068 0.000 1.007 738 S CA 0.466 58.713 58.200 0.078 0.000 0.965 738 S CB -0.110 63.142 63.200 0.086 0.000 0.773 738 S HN 0.353 nan 8.310 nan 0.000 0.504 739 K N 1.426 121.864 120.400 0.064 0.000 2.504 739 K HA 0.142 4.268 4.320 -0.323 0.000 0.195 739 K C 1.302 177.940 176.600 0.063 0.000 1.036 739 K CA 0.664 56.998 56.287 0.077 0.000 0.984 739 K CB -0.086 32.467 32.500 0.089 0.000 0.788 739 K HN 0.570 nan 8.250 nan 0.000 0.488 740 K N 0.113 120.539 120.400 0.045 0.000 2.355 740 K HA 0.109 4.235 4.320 -0.323 0.000 0.198 740 K C 0.051 176.710 176.600 0.098 0.000 1.039 740 K CA -0.293 56.029 56.287 0.057 0.000 1.075 740 K CB 0.385 32.885 32.500 -0.001 0.000 0.870 740 K HN -0.009 nan 8.250 nan 0.000 0.540 741 N N 1.716 120.431 118.700 0.025 0.000 2.441 741 N HA 0.126 4.672 4.740 -0.323 0.000 0.251 741 N C -0.388 174.924 175.510 -0.329 0.000 1.242 741 N CA 0.612 53.581 53.050 -0.136 0.000 0.898 741 N CB 0.637 39.075 38.487 -0.082 0.000 1.100 741 N HN 0.060 nan 8.380 nan 0.000 0.443 742 I N -0.127 120.054 120.570 -0.648 0.000 2.619 742 I HA 0.474 4.450 4.170 -0.323 0.000 0.292 742 I C 0.410 175.961 176.117 -0.944 0.000 1.100 742 I CA -0.887 60.008 61.300 -0.675 0.000 1.043 742 I CB 2.398 40.063 38.000 -0.559 0.000 1.239 742 I HN 0.389 nan 8.210 nan 0.000 0.420 743 G N 4.102 112.390 108.800 -0.854 0.000 2.563 743 G HA2 0.751 4.517 3.960 -0.323 0.000 0.302 743 G HA3 0.751 4.517 3.960 -0.323 0.000 0.302 743 G C -2.035 172.505 174.900 -0.599 0.000 1.301 743 G CA -0.384 44.178 45.100 -0.897 0.000 0.965 743 G HN 0.389 nan 8.290 nan 0.000 0.480 744 Y N 0.287 120.588 120.300 0.002 0.000 2.346 744 Y HA 0.501 4.855 4.550 -0.327 0.000 0.332 744 Y C -0.917 175.126 175.900 0.237 0.000 0.985 744 Y CA -1.088 57.018 58.100 0.009 0.000 1.112 744 Y CB 2.290 40.608 38.460 -0.236 0.000 1.170 744 Y HN 0.531 nan 8.280 nan 0.000 0.447 745 F N 4.706 124.670 119.950 0.023 0.000 2.444 745 F HA 0.668 5.000 4.527 -0.325 0.000 0.342 745 F C -1.677 173.875 175.800 -0.413 0.000 1.121 745 F CA -2.276 55.674 58.000 -0.084 0.000 0.997 745 F CB 0.463 39.355 39.000 -0.181 0.000 1.130 745 F HN 0.266 nan 8.300 nan 0.000 0.454 746 F N 7.474 127.077 119.950 -0.579 0.000 2.391 746 F HA 0.307 4.644 4.527 -0.317 0.000 0.359 746 F C 0.512 175.643 175.800 -1.115 0.000 1.122 746 F CA -0.497 57.105 58.000 -0.663 0.000 1.120 746 F CB 0.528 39.427 39.000 -0.169 0.000 1.142 746 F HN 0.443 nan 8.300 nan 0.000 0.483 747 F N 0.643 120.194 119.950 -0.666 0.000 2.250 747 F HA -0.070 4.259 4.527 -0.330 0.000 0.301 747 F C 1.169 176.895 175.800 -0.124 0.000 1.077 747 F CA 0.991 58.709 58.000 -0.471 0.000 1.348 747 F CB -0.302 38.562 39.000 -0.228 0.000 1.040 747 F HN 0.145 nan 8.300 nan 0.000 0.509 748 K N 0.617 121.094 120.400 0.129 0.000 2.507 748 K HA 0.205 4.331 4.320 -0.323 0.000 0.251 748 K C -0.596 176.079 176.600 0.125 0.000 0.943 748 K CA -0.701 55.665 56.287 0.132 0.000 0.794 748 K CB 1.991 34.571 32.500 0.133 0.000 1.188 748 K HN -0.054 nan 8.250 nan 0.000 0.428 749 K N 1.645 122.094 120.400 0.081 0.000 2.473 749 K HA 0.015 4.141 4.320 -0.323 0.000 0.277 749 K C -0.067 176.509 176.600 -0.041 0.000 1.052 749 K CA 0.602 56.896 56.287 0.012 0.000 1.114 749 K CB 0.188 32.698 32.500 0.017 0.000 0.869 749 K HN 0.403 nan 8.250 nan 0.000 0.481 750 S N 1.155 116.728 115.700 -0.213 0.000 2.648 750 S HA 0.257 4.533 4.470 -0.323 0.000 0.305 750 S C -0.519 173.925 174.600 -0.261 0.000 1.094 750 S CA -0.900 57.177 58.200 -0.204 0.000 0.983 750 S CB 1.974 65.055 63.200 -0.198 0.000 1.101 750 S HN 0.502 nan 8.310 nan 0.000 0.514 751 S N 1.965 117.583 115.700 -0.137 0.000 2.423 751 S HA 0.574 4.850 4.470 -0.323 0.000 0.317 751 S C -0.252 174.282 174.600 -0.110 0.000 1.065 751 S CA -0.800 57.336 58.200 -0.108 0.000 1.111 751 S CB -0.909 62.259 63.200 -0.053 0.000 0.968 751 S HN 0.574 nan 8.310 nan 0.000 0.474 752 I N 2.186 122.681 120.570 -0.124 0.000 3.023 752 I HA 0.879 4.856 4.170 -0.323 0.000 0.312 752 I C -0.478 175.648 176.117 0.015 0.000 1.056 752 I CA -0.911 60.335 61.300 -0.090 0.000 1.033 752 I CB 2.317 40.219 38.000 -0.162 0.000 1.233 752 I HN 0.552 nan 8.210 nan 0.000 0.462 753 S N 3.540 119.246 115.700 0.009 0.000 2.568 753 S HA 0.814 5.090 4.470 -0.323 0.000 0.293 753 S C -0.753 173.878 174.600 0.051 0.000 1.089 753 S CA -0.852 57.392 58.200 0.074 0.000 0.945 753 S CB 2.018 65.221 63.200 0.004 0.000 1.077 753 S HN 0.764 nan 8.310 nan 0.000 0.485 754 M N 1.857 121.535 119.600 0.130 0.000 2.575 754 M HA 0.677 4.964 4.480 -0.323 0.000 0.284 754 M C -1.089 175.247 176.300 0.059 0.000 1.253 754 M CA -0.498 54.822 55.300 0.033 0.000 0.861 754 M CB 2.698 35.251 32.600 -0.080 0.000 1.733 754 M HN 1.100 nan 8.290 nan 0.000 0.462 755 S N 0.729 116.433 115.700 0.007 0.000 2.615 755 S HA 0.678 4.955 4.470 -0.323 0.000 0.268 755 S C -1.646 172.957 174.600 0.005 0.000 1.146 755 S CA -1.047 57.162 58.200 0.015 0.000 0.818 755 S CB 2.635 65.841 63.200 0.010 0.000 1.111 755 S HN 0.763 nan 8.310 nan 0.000 0.465 756 K N 0.428 120.836 120.400 0.014 0.000 2.565 756 K HA 0.748 4.874 4.320 -0.323 0.000 0.249 756 K C -1.316 175.300 176.600 0.026 0.000 0.958 756 K CA -0.439 55.860 56.287 0.021 0.000 0.806 756 K CB 1.535 34.041 32.500 0.010 0.000 1.194 756 K HN 1.238 nan 8.250 nan 0.000 0.434 757 A N 3.145 125.991 122.820 0.043 0.000 2.610 757 A HA 0.536 4.662 4.320 -0.323 0.000 0.291 757 A C -2.125 175.493 177.584 0.057 0.000 1.086 757 A CA -0.800 51.257 52.037 0.034 0.000 0.677 757 A CB 1.279 20.288 19.000 0.015 0.000 1.278 757 A HN 0.583 nan 8.150 nan 0.000 0.414 758 L N 0.812 122.056 121.223 0.035 0.000 2.313 758 L HA 0.460 4.606 4.340 -0.323 0.000 0.282 758 L C 0.006 176.888 176.870 0.021 0.000 1.092 758 L CA 0.764 55.628 54.840 0.041 0.000 0.831 758 L CB 0.632 42.703 42.059 0.020 0.000 1.159 758 L HN 0.685 nan 8.230 nan 0.000 0.442 759 Q N 4.843 124.660 119.800 0.029 0.000 2.322 759 Q HA 0.460 4.607 4.340 -0.323 0.000 0.265 759 Q C -1.001 174.963 176.000 -0.060 0.000 0.985 759 Q CA -0.637 55.129 55.803 -0.062 0.000 0.849 759 Q CB 1.962 30.573 28.738 -0.212 0.000 1.274 759 Q HN 0.505 nan 8.270 nan 0.000 0.449 760 K N 0.849 121.209 120.400 -0.067 0.000 2.203 760 K HA 0.839 4.965 4.320 -0.323 0.000 0.251 760 K C -0.433 176.114 176.600 -0.089 0.000 0.944 760 K CA -0.803 55.449 56.287 -0.059 0.000 0.829 760 K CB 1.941 34.423 32.500 -0.031 0.000 1.125 760 K HN 0.717 nan 8.250 nan 0.000 0.430 761 G N 0.046 108.788 108.800 -0.097 0.000 2.667 761 G HA2 0.580 4.347 3.960 -0.323 0.000 0.294 761 G HA3 0.580 4.347 3.960 -0.323 0.000 0.294 761 G C -1.920 172.912 174.900 -0.112 0.000 1.467 761 G CA -0.735 44.292 45.100 -0.122 0.000 0.852 761 G HN 0.604 nan 8.290 nan 0.000 0.521 762 A N -0.171 122.601 122.820 -0.079 0.000 2.350 762 A HA 0.636 4.762 4.320 -0.323 0.000 0.324 762 A C 0.378 177.965 177.584 0.005 0.000 1.118 762 A CA -0.718 51.316 52.037 -0.006 0.000 0.783 762 A CB 0.777 19.806 19.000 0.049 0.000 1.236 762 A HN 0.844 nan 8.150 nan 0.000 0.457 763 W N 1.458 122.771 121.300 0.021 0.000 2.321 763 W HA -0.185 4.279 4.660 -0.326 0.000 0.285 763 W C 2.077 178.600 176.519 0.007 0.000 1.213 763 W CA 1.874 59.234 57.345 0.025 0.000 1.205 763 W CB 0.180 29.661 29.460 0.035 0.000 1.134 763 W HN 0.820 nan 8.180 nan 0.000 0.549 764 K N 0.466 120.990 120.400 0.207 0.000 2.147 764 K HA -0.183 3.943 4.320 -0.323 0.000 0.205 764 K C 1.330 177.970 176.600 0.066 0.000 1.049 764 K CA 1.730 58.090 56.287 0.120 0.000 0.936 764 K CB -0.224 32.328 32.500 0.086 0.000 0.722 764 K HN 0.008 nan 8.250 nan 0.000 0.446 765 D N 0.605 121.024 120.400 0.032 0.000 2.218 765 D HA -0.166 4.280 4.640 -0.323 0.000 0.204 765 D C 1.666 177.942 176.300 -0.041 0.000 0.976 765 D CA 1.310 55.303 54.000 -0.011 0.000 0.853 765 D CB -0.039 40.736 40.800 -0.041 0.000 0.939 765 D HN 0.564 nan 8.370 nan 0.000 0.481 766 I N -4.043 116.510 120.570 -0.028 0.000 4.139 766 I HA 0.249 4.225 4.170 -0.323 0.000 0.335 766 I C 0.092 176.218 176.117 0.014 0.000 1.327 766 I CA -0.233 61.029 61.300 -0.063 0.000 1.112 766 I CB 0.471 38.414 38.000 -0.095 0.000 1.058 766 I HN -0.269 nan 8.210 nan 0.000 0.396 767 N N 1.821 120.566 118.700 0.075 0.000 2.655 767 N HA 0.082 4.628 4.740 -0.323 0.000 0.277 767 N C 0.453 176.008 175.510 0.076 0.000 1.177 767 N CA -0.078 53.024 53.050 0.087 0.000 0.882 767 N CB 1.495 40.059 38.487 0.128 0.000 1.481 767 N HN -0.008 nan 8.380 nan 0.000 0.547 768 E N 2.218 122.451 120.200 0.055 0.000 2.086 768 E HA -0.152 4.005 4.350 -0.323 0.000 0.205 768 E C 1.283 177.903 176.600 0.033 0.000 1.027 768 E CA 1.792 58.218 56.400 0.042 0.000 0.830 768 E CB -0.216 29.504 29.700 0.034 0.000 0.751 768 E HN 0.772 nan 8.360 nan 0.000 0.456 769 G N 1.065 109.876 108.800 0.019 0.000 2.882 769 G HA2 -0.121 3.645 3.960 -0.323 0.000 0.206 769 G HA3 -0.121 3.645 3.960 -0.323 0.000 0.206 769 G C 0.750 175.652 174.900 0.004 0.000 1.155 769 G CA 0.072 45.173 45.100 0.001 0.000 0.800 769 G HN 0.037 nan 8.290 nan 0.000 0.524 770 Q N -0.206 119.617 119.800 0.038 0.000 2.194 770 Q HA 0.356 4.502 4.340 -0.323 0.000 0.245 770 Q C -0.028 176.016 176.000 0.073 0.000 0.993 770 Q CA -0.516 55.316 55.803 0.049 0.000 0.930 770 Q CB 1.216 30.035 28.738 0.136 0.000 1.238 770 Q HN 0.090 nan 8.270 nan 0.000 0.486 771 S N 0.581 116.327 115.700 0.076 0.000 2.549 771 S HA -0.023 4.253 4.470 -0.323 0.000 0.283 771 S C 0.259 174.943 174.600 0.139 0.000 1.320 771 S CA -0.246 58.008 58.200 0.090 0.000 1.058 771 S CB 0.119 63.360 63.200 0.068 0.000 0.882 771 S HN 0.552 nan 8.310 nan 0.000 0.498 772 D N 2.389 122.844 120.400 0.091 0.000 2.340 772 D HA 0.061 4.507 4.640 -0.323 0.000 0.220 772 D C 0.340 176.687 176.300 0.080 0.000 1.039 772 D CA -0.143 53.906 54.000 0.081 0.000 0.866 772 D CB -0.023 40.809 40.800 0.052 0.000 0.913 772 D HN 0.305 nan 8.370 nan 0.000 0.523 773 K N 1.940 122.398 120.400 0.097 0.000 2.447 773 K HA -0.025 4.101 4.320 -0.323 0.000 0.281 773 K C -0.113 176.545 176.600 0.097 0.000 1.031 773 K CA -0.203 56.137 56.287 0.089 0.000 1.019 773 K CB 0.287 32.844 32.500 0.096 0.000 0.918 773 K HN 0.203 nan 8.250 nan 0.000 0.476 774 E N 3.172 123.409 120.200 0.062 0.000 2.415 774 E HA 0.112 4.268 4.350 -0.323 0.000 0.263 774 E C -0.955 175.675 176.600 0.050 0.000 0.995 774 E CA -0.380 56.045 56.400 0.042 0.000 0.915 774 E CB 0.551 30.266 29.700 0.025 0.000 0.951 774 E HN 0.387 nan 8.360 nan 0.000 0.449 775 V N 4.226 124.155 119.914 0.025 0.000 2.815 775 V HA 0.458 4.384 4.120 -0.323 0.000 0.314 775 V C -0.372 175.718 176.094 -0.006 0.000 1.064 775 V CA -0.605 61.711 62.300 0.026 0.000 0.952 775 V CB 1.733 33.558 31.823 0.003 0.000 1.020 775 V HN 0.851 nan 8.190 nan 0.000 0.439 776 E N 2.576 122.783 120.200 0.012 0.000 2.352 776 E HA 0.547 4.704 4.350 -0.323 0.000 0.280 776 E C -1.928 174.693 176.600 0.035 0.000 0.930 776 E CA -0.913 55.495 56.400 0.013 0.000 0.765 776 E CB 2.527 32.234 29.700 0.012 0.000 1.219 776 E HN 0.608 nan 8.360 nan 0.000 0.434 777 N N 1.419 120.166 118.700 0.079 0.000 2.610 777 N HA 0.207 4.753 4.740 -0.323 0.000 0.264 777 N C -1.590 174.014 175.510 0.157 0.000 1.348 777 N CA -0.649 52.450 53.050 0.082 0.000 0.819 777 N CB 2.344 40.891 38.487 0.100 0.000 1.521 777 N HN 0.691 nan 8.380 nan 0.000 0.497 778 E N 0.679 120.890 120.200 0.018 0.000 2.204 778 E HA 0.504 4.660 4.350 -0.323 0.000 0.276 778 E C -1.301 175.291 176.600 -0.015 0.000 0.974 778 E CA -0.295 56.140 56.400 0.058 0.000 0.815 778 E CB 0.800 30.490 29.700 -0.017 0.000 1.119 778 E HN 0.262 nan 8.360 nan 0.000 0.393 779 F N 2.754 122.660 119.950 -0.073 0.000 2.565 779 F HA 0.388 4.718 4.527 -0.328 0.000 0.313 779 F C -0.533 175.233 175.800 -0.057 0.000 1.091 779 F CA -0.796 57.160 58.000 -0.075 0.000 0.915 779 F CB 1.625 40.560 39.000 -0.108 0.000 1.208 779 F HN 0.362 nan 8.300 nan 0.000 0.453 780 L N 2.728 124.011 121.223 0.099 0.000 2.265 780 L HA 0.603 4.749 4.340 -0.323 0.000 0.289 780 L C -0.792 176.092 176.870 0.022 0.000 1.033 780 L CA 0.040 54.893 54.840 0.022 0.000 0.814 780 L CB 0.874 42.904 42.059 -0.048 0.000 1.203 780 L HN 0.636 nan 8.230 nan 0.000 0.423 781 T N 6.137 120.689 114.554 -0.003 0.000 2.797 781 T HA 0.573 4.729 4.350 -0.323 0.000 0.279 781 T C -0.277 174.370 174.700 -0.088 0.000 0.991 781 T CA -0.246 61.837 62.100 -0.029 0.000 0.979 781 T CB 1.349 70.207 68.868 -0.016 0.000 0.943 781 T HN 0.380 nan 8.240 nan 0.000 0.444 782 I N 3.341 123.829 120.570 -0.135 0.000 2.439 782 I HA 0.430 4.406 4.170 -0.323 0.000 0.283 782 I C 0.125 176.141 176.117 -0.168 0.000 1.023 782 I CA -0.619 60.560 61.300 -0.201 0.000 1.100 782 I CB 1.518 39.289 38.000 -0.382 0.000 1.238 782 I HN 0.671 nan 8.210 nan 0.000 0.445 783 S N 4.726 120.353 115.700 -0.122 0.000 2.632 783 S HA 0.637 4.913 4.470 -0.323 0.000 0.289 783 S C -0.927 173.611 174.600 -0.102 0.000 1.115 783 S CA -0.829 57.309 58.200 -0.104 0.000 0.889 783 S CB 2.546 65.700 63.200 -0.076 0.000 1.116 783 S HN 0.643 nan 8.310 nan 0.000 0.486 784 Q N 0.651 120.378 119.800 -0.122 0.000 2.290 784 Q HA 0.618 4.764 4.340 -0.323 0.000 0.269 784 Q C -0.739 175.036 176.000 -0.375 0.000 1.016 784 Q CA -0.792 54.920 55.803 -0.152 0.000 0.754 784 Q CB 1.704 30.433 28.738 -0.014 0.000 1.247 784 Q HN 1.037 nan 8.270 nan 0.000 0.451 785 A N 3.273 125.922 122.820 -0.285 0.000 2.366 785 A HA 0.357 4.483 4.320 -0.323 0.000 0.249 785 A C -0.868 176.465 177.584 -0.419 0.000 1.084 785 A CA -0.057 51.797 52.037 -0.306 0.000 0.794 785 A CB 0.350 19.276 19.000 -0.122 0.000 1.034 785 A HN 0.802 nan 8.150 nan 0.000 0.491 786 H N 1.442 120.551 119.070 0.065 0.000 2.953 786 H HA 0.253 4.614 4.556 -0.325 0.000 0.290 786 H C 0.090 175.445 175.328 0.046 0.000 1.113 786 H CA -0.524 55.567 56.048 0.071 0.000 1.454 786 H CB 1.248 31.070 29.762 0.100 0.000 1.525 786 H HN 0.805 nan 8.280 nan 0.000 0.505 787 K N 1.223 121.696 120.400 0.123 0.000 2.186 787 K HA 0.051 4.177 4.320 -0.323 0.000 0.202 787 K C 0.284 176.921 176.600 0.061 0.000 1.052 787 K CA 0.724 57.053 56.287 0.070 0.000 0.965 787 K CB 0.632 33.156 32.500 0.040 0.000 0.746 787 K HN 0.480 nan 8.250 nan 0.000 0.457 788 Q N 0.549 120.388 119.800 0.065 0.000 2.297 788 Q HA 0.242 4.388 4.340 -0.323 0.000 0.269 788 Q C -0.793 175.226 176.000 0.031 0.000 1.051 788 Q CA -1.069 54.757 55.803 0.038 0.000 0.869 788 Q CB 1.185 29.939 28.738 0.026 0.000 1.346 788 Q HN -0.025 nan 8.270 nan 0.000 0.457 789 N N 0.272 118.978 118.700 0.010 0.000 2.518 789 N HA 0.189 4.735 4.740 -0.323 0.000 0.266 789 N C 0.622 176.116 175.510 -0.026 0.000 1.196 789 N CA 1.213 54.258 53.050 -0.008 0.000 0.947 789 N CB 0.922 39.400 38.487 -0.016 0.000 1.098 789 N HN 0.927 nan 8.380 nan 0.000 0.450 790 G N 0.771 109.539 108.800 -0.053 0.000 2.136 790 G HA2 -0.225 3.541 3.960 -0.323 0.000 0.242 790 G HA3 -0.225 3.541 3.960 -0.323 0.000 0.242 790 G C -0.144 174.710 174.900 -0.076 0.000 0.989 790 G CA -0.090 44.962 45.100 -0.080 0.000 0.682 790 G HN 0.567 nan 8.290 nan 0.000 0.522 791 D N 0.364 120.725 120.400 -0.064 0.000 2.414 791 D HA 0.682 5.128 4.640 -0.323 0.000 0.251 791 D C 0.982 177.200 176.300 -0.136 0.000 1.252 791 D CA 0.935 54.906 54.000 -0.048 0.000 0.999 791 D CB 1.259 42.081 40.800 0.036 0.000 1.093 791 D HN 0.868 nan 8.370 nan 0.000 0.515 792 S N -1.288 114.361 115.700 -0.085 0.000 2.636 792 S HA 0.651 4.928 4.470 -0.323 0.000 0.268 792 S C -1.547 173.099 174.600 0.077 0.000 1.159 792 S CA -1.019 57.091 58.200 -0.150 0.000 0.815 792 S CB 1.210 64.318 63.200 -0.153 0.000 1.130 792 S HN 0.500 nan 8.310 nan 0.000 0.471 793 Y N -1.816 118.557 120.300 0.123 0.000 2.588 793 Y HA 0.936 5.286 4.550 -0.333 0.000 0.343 793 Y C -0.347 175.686 175.900 0.222 0.000 1.065 793 Y CA -0.862 57.403 58.100 0.275 0.000 1.038 793 Y CB 1.349 40.057 38.460 0.412 0.000 1.297 793 Y HN 1.276 nan 8.280 nan 0.000 0.467 794 G N 1.971 111.102 108.800 0.552 0.000 2.267 794 G HA2 0.510 4.276 3.960 -0.323 0.000 0.285 794 G HA3 0.510 4.276 3.960 -0.323 0.000 0.285 794 G C -2.272 172.857 174.900 0.381 0.000 1.323 794 G CA -0.751 44.616 45.100 0.444 0.000 1.306 794 G HN 1.069 nan 8.290 nan 0.000 0.617 795 Y N -0.122 120.274 120.300 0.159 0.000 2.597 795 Y HA 0.852 5.207 4.550 -0.324 0.000 0.340 795 Y C -0.917 174.857 175.900 -0.211 0.000 1.097 795 Y CA -2.198 55.596 58.100 -0.510 0.000 1.037 795 Y CB 2.027 39.984 38.460 -0.839 0.000 1.305 795 Y HN 0.477 nan 8.280 nan 0.000 0.463 796 M N 3.704 123.155 119.600 -0.248 0.000 2.227 796 M HA 0.553 4.839 4.480 -0.323 0.000 0.335 796 M C -2.089 174.293 176.300 0.136 0.000 1.053 796 M CA -1.036 54.321 55.300 0.094 0.000 0.973 796 M CB 1.383 34.059 32.600 0.127 0.000 1.623 796 M HN 0.778 nan 8.290 nan 0.000 0.434 797 L N 7.275 128.594 121.223 0.160 0.000 2.257 797 L HA 0.644 4.790 4.340 -0.323 0.000 0.290 797 L C -1.559 175.253 176.870 -0.095 0.000 1.044 797 L CA 0.176 54.971 54.840 -0.074 0.000 0.810 797 L CB 0.376 42.396 42.059 -0.066 0.000 1.193 797 L HN 0.746 nan 8.230 nan 0.000 0.425 798 I N 8.229 128.723 120.570 -0.127 0.000 2.382 798 I HA 0.462 4.439 4.170 -0.323 0.000 0.285 798 I C -2.298 173.692 176.117 -0.212 0.000 1.007 798 I CA -1.522 59.735 61.300 -0.072 0.000 1.142 798 I CB 1.632 39.736 38.000 0.172 0.000 1.289 798 I HN 0.519 nan 8.210 nan 0.000 0.453 799 P HA 0.386 nan 4.420 nan 0.000 0.287 799 P C -0.824 176.354 177.300 -0.203 0.000 1.290 799 P CA -0.584 62.277 63.100 -0.399 0.000 0.889 799 P CB 1.237 32.511 31.700 -0.711 0.000 1.190 800 N N -2.362 116.281 118.700 -0.095 0.000 2.735 800 N HA -0.114 4.432 4.740 -0.323 0.000 0.248 800 N C -0.114 175.447 175.510 0.085 0.000 1.083 800 N CA 1.289 54.362 53.050 0.038 0.000 0.703 800 N CB -2.156 36.411 38.487 0.134 0.000 1.005 800 N HN 0.446 nan 8.380 nan 0.000 0.550 801 V N -3.801 116.179 119.914 0.110 0.000 3.078 801 V HA 0.830 4.756 4.120 -0.323 0.000 0.311 801 V C 0.029 176.256 176.094 0.221 0.000 1.138 801 V CA -1.189 61.197 62.300 0.145 0.000 1.007 801 V CB 2.460 34.371 31.823 0.148 0.000 1.045 801 V HN 0.145 nan 8.190 nan 0.000 0.432 802 D N 1.393 121.882 120.400 0.149 0.000 2.383 802 D HA 0.264 4.710 4.640 -0.323 0.000 0.248 802 D C 1.087 177.343 176.300 -0.075 0.000 1.170 802 D CA -0.416 53.663 54.000 0.131 0.000 0.977 802 D CB 0.947 41.778 40.800 0.051 0.000 1.120 802 D HN 0.721 nan 8.370 nan 0.000 0.481 803 R N 0.151 120.430 120.500 -0.368 0.000 2.117 803 R HA -0.205 3.941 4.340 -0.323 0.000 0.243 803 R C 1.847 177.896 176.300 -0.418 0.000 1.143 803 R CA 1.728 57.306 56.100 -0.871 0.000 0.968 803 R CB -0.530 29.272 30.300 -0.830 0.000 0.863 803 R HN 0.587 nan 8.270 nan 0.000 0.444 804 A N -0.647 122.033 122.820 -0.232 0.000 1.929 804 A HA -0.066 4.060 4.320 -0.323 0.000 0.216 804 A C 2.068 179.575 177.584 -0.128 0.000 1.176 804 A CA 1.702 53.644 52.037 -0.159 0.000 0.628 804 A CB -0.439 18.500 19.000 -0.103 0.000 0.816 804 A HN 0.414 nan 8.150 nan 0.000 0.444 805 T N -1.045 113.458 114.554 -0.085 0.000 2.942 805 T HA -0.016 4.140 4.350 -0.323 0.000 0.265 805 T C 1.550 176.216 174.700 -0.057 0.000 1.062 805 T CA 1.187 63.255 62.100 -0.054 0.000 1.139 805 T CB -0.311 68.556 68.868 -0.002 0.000 0.883 805 T HN 0.472 nan 8.240 nan 0.000 0.468 806 F N 3.071 122.900 119.950 -0.202 0.000 2.146 806 F HA -0.045 4.286 4.527 -0.326 0.000 0.298 806 F C 1.914 177.576 175.800 -0.229 0.000 1.096 806 F CA 1.004 58.888 58.000 -0.194 0.000 1.275 806 F CB -0.393 38.441 39.000 -0.278 0.000 1.008 806 F HN 0.036 nan 8.300 nan 0.000 0.480 807 N N 0.259 118.743 118.700 -0.361 0.000 2.396 807 N HA -0.145 4.402 4.740 -0.323 0.000 0.180 807 N C 1.722 177.026 175.510 -0.344 0.000 1.028 807 N CA 0.894 53.705 53.050 -0.398 0.000 0.893 807 N CB -0.299 38.041 38.487 -0.244 0.000 0.967 807 N HN 0.406 nan 8.380 nan 0.000 0.440 808 Q N 0.640 120.279 119.800 -0.268 0.000 2.062 808 Q HA 0.173 4.319 4.340 -0.323 0.000 0.196 808 Q C 1.966 177.815 176.000 -0.253 0.000 0.967 808 Q CA 1.064 56.740 55.803 -0.211 0.000 0.832 808 Q CB -0.061 28.591 28.738 -0.144 0.000 0.899 808 Q HN 0.258 nan 8.270 nan 0.000 0.442 809 M N 0.305 119.738 119.600 -0.278 0.000 2.213 809 M HA -0.110 4.176 4.480 -0.323 0.000 0.263 809 M C 1.936 177.971 176.300 -0.442 0.000 1.062 809 M CA 1.285 56.413 55.300 -0.286 0.000 1.105 809 M CB -0.492 31.977 32.600 -0.218 0.000 1.385 809 M HN 0.406 nan 8.290 nan 0.000 0.417 810 I N -1.825 118.350 120.570 -0.658 0.000 2.614 810 I HA -0.148 3.828 4.170 -0.323 0.000 0.258 810 I C 2.151 177.861 176.117 -0.678 0.000 1.189 810 I CA 1.278 61.994 61.300 -0.974 0.000 1.462 810 I CB -0.445 36.931 38.000 -1.041 0.000 1.092 810 I HN 0.090 nan 8.210 nan 0.000 0.442 811 K N 1.802 121.958 120.400 -0.406 0.000 2.305 811 K HA -0.007 4.119 4.320 -0.323 0.000 0.199 811 K C 1.754 178.245 176.600 -0.181 0.000 1.047 811 K CA 1.173 57.315 56.287 -0.243 0.000 0.976 811 K CB -0.044 32.347 32.500 -0.181 0.000 0.765 811 K HN 0.530 nan 8.250 nan 0.000 0.474 812 E N -0.021 120.057 120.200 -0.203 0.000 2.170 812 E HA 0.010 4.166 4.350 -0.323 0.000 0.191 812 E C 0.790 177.331 176.600 -0.100 0.000 0.981 812 E CA 0.626 56.946 56.400 -0.135 0.000 0.830 812 E CB 0.069 29.689 29.700 -0.134 0.000 0.775 812 E HN 0.211 nan 8.360 nan 0.000 0.470 813 L N 1.455 122.599 121.223 -0.132 0.000 2.715 813 L HA 0.104 4.251 4.340 -0.323 0.000 0.238 813 L C 1.839 178.814 176.870 0.174 0.000 1.212 813 L CA -0.050 54.809 54.840 0.030 0.000 1.017 813 L CB -0.198 41.920 42.059 0.097 0.000 1.269 813 L HN 0.105 nan 8.230 nan 0.000 0.452 814 E N 0.816 121.059 120.200 0.073 0.000 2.070 814 E HA -0.187 3.969 4.350 -0.323 0.000 0.197 814 E C 0.733 177.454 176.600 0.202 0.000 1.004 814 E CA 1.387 57.873 56.400 0.143 0.000 0.805 814 E CB 0.234 29.968 29.700 0.057 0.000 0.744 814 E HN 0.333 nan 8.360 nan 0.000 0.451 815 S N -0.626 115.165 115.700 0.152 0.000 2.499 815 S HA 0.084 4.360 4.470 -0.323 0.000 0.238 815 S C 0.610 175.296 174.600 0.144 0.000 1.205 815 S CA 0.009 58.291 58.200 0.138 0.000 1.203 815 S CB 1.084 64.347 63.200 0.104 0.000 0.954 815 S HN 0.270 nan 8.310 nan 0.000 0.484 816 S N 0.573 116.371 115.700 0.163 0.000 2.470 816 S HA 0.148 4.424 4.470 -0.323 0.000 0.225 816 S C 0.564 175.124 174.600 -0.066 0.000 1.006 816 S CA -0.129 58.130 58.200 0.099 0.000 0.934 816 S CB -0.325 62.974 63.200 0.165 0.000 0.778 816 S HN 0.437 nan 8.310 nan 0.000 0.517 817 L N 2.870 123.995 121.223 -0.163 0.000 2.342 817 L HA 0.329 4.475 4.340 -0.323 0.000 0.285 817 L C 0.702 177.472 176.870 -0.166 0.000 1.095 817 L CA -0.235 54.377 54.840 -0.380 0.000 0.843 817 L CB -0.057 41.735 42.059 -0.446 0.000 1.201 817 L HN 0.101 nan 8.230 nan 0.000 0.445 818 I N 2.506 122.991 120.570 -0.142 0.000 2.480 818 I HA 0.148 4.124 4.170 -0.323 0.000 0.251 818 I C 0.642 176.708 176.117 -0.085 0.000 1.124 818 I CA 0.692 61.957 61.300 -0.059 0.000 1.444 818 I CB -0.670 37.338 38.000 0.013 0.000 1.098 818 I HN 0.712 nan 8.210 nan 0.000 0.428 819 E N 0.191 120.316 120.200 -0.125 0.000 2.389 819 E HA 0.281 4.437 4.350 -0.323 0.000 0.281 819 E C -1.050 175.482 176.600 -0.113 0.000 1.072 819 E CA -0.451 55.891 56.400 -0.096 0.000 0.845 819 E CB 1.002 30.670 29.700 -0.053 0.000 1.239 819 E HN 0.132 nan 8.360 nan 0.000 0.434 820 N N 3.092 121.738 118.700 -0.089 0.000 2.751 820 N HA 0.225 4.771 4.740 -0.323 0.000 0.238 820 N C -1.460 174.006 175.510 -0.074 0.000 1.351 820 N CA -0.261 52.736 53.050 -0.087 0.000 0.751 820 N CB 0.012 38.423 38.487 -0.126 0.000 1.342 820 N HN 0.544 nan 8.380 nan 0.000 0.540 821 N N -0.064 118.606 118.700 -0.049 0.000 3.167 821 N HA 0.197 4.743 4.740 -0.323 0.000 0.323 821 N C 0.771 176.237 175.510 -0.074 0.000 1.478 821 N CA -0.592 52.418 53.050 -0.066 0.000 0.753 821 N CB 0.267 38.726 38.487 -0.047 0.000 1.721 821 N HN 0.054 nan 8.380 nan 0.000 0.618 822 E N -1.330 118.804 120.200 -0.110 0.000 2.515 822 E HA -0.079 4.078 4.350 -0.323 0.000 0.201 822 E C 0.228 176.816 176.600 -0.020 0.000 1.071 822 E CA 1.468 57.766 56.400 -0.171 0.000 0.880 822 E CB -0.916 28.668 29.700 -0.195 0.000 0.828 822 E HN 0.808 nan 8.360 nan 0.000 0.540 823 T N -2.699 111.887 114.554 0.054 0.000 2.993 823 T HA 0.358 4.514 4.350 -0.323 0.000 0.260 823 T C 0.206 175.030 174.700 0.208 0.000 0.939 823 T CA -0.327 61.858 62.100 0.142 0.000 0.886 823 T CB 0.193 69.113 68.868 0.086 0.000 1.209 823 T HN 0.075 nan 8.240 nan 0.000 0.518 824 L N 1.285 122.597 121.223 0.150 0.000 2.464 824 L HA 0.665 4.811 4.340 -0.323 0.000 0.266 824 L C -1.996 174.955 176.870 0.135 0.000 0.965 824 L CA -0.408 54.526 54.840 0.158 0.000 0.833 824 L CB 2.436 44.543 42.059 0.080 0.000 1.296 824 L HN 0.141 nan 8.230 nan 0.000 0.405 825 Q N 2.811 122.732 119.800 0.203 0.000 2.304 825 Q HA 0.771 4.917 4.340 -0.323 0.000 0.270 825 Q C -1.534 174.593 176.000 0.212 0.000 1.035 825 Q CA -0.608 55.305 55.803 0.183 0.000 0.781 825 Q CB 2.366 31.283 28.738 0.298 0.000 1.261 825 Q HN 0.634 nan 8.270 nan 0.000 0.444 826 S N 1.532 117.209 115.700 -0.038 0.000 2.535 826 S HA 0.682 4.958 4.470 -0.323 0.000 0.272 826 S C -1.689 172.681 174.600 -0.383 0.000 1.149 826 S CA -0.484 57.657 58.200 -0.098 0.000 0.888 826 S CB 1.527 64.778 63.200 0.085 0.000 1.110 826 S HN 0.306 nan 8.310 nan 0.000 0.463 827 V N 4.309 123.944 119.914 -0.466 0.000 2.823 827 V HA 0.624 4.550 4.120 -0.323 0.000 0.312 827 V C -1.361 174.744 176.094 0.019 0.000 1.072 827 V CA -0.716 61.345 62.300 -0.399 0.000 0.937 827 V CB 1.886 33.293 31.823 -0.693 0.000 1.013 827 V HN 0.873 nan 8.190 nan 0.000 0.430 828 Y N 2.459 122.684 120.300 -0.125 0.000 2.409 828 Y HA 0.615 4.970 4.550 -0.324 0.000 0.343 828 Y C -0.636 175.157 175.900 -0.179 0.000 0.973 828 Y CA -1.383 56.603 58.100 -0.189 0.000 1.064 828 Y CB 1.840 40.177 38.460 -0.205 0.000 1.207 828 Y HN 0.691 nan 8.280 nan 0.000 0.452 829 D N 4.712 124.597 120.400 -0.859 0.000 2.473 829 D HA 0.371 4.817 4.640 -0.323 0.000 0.226 829 D C 0.535 176.133 176.300 -1.171 0.000 1.089 829 D CA 0.226 53.802 54.000 -0.708 0.000 0.883 829 D CB 1.429 42.021 40.800 -0.347 0.000 1.029 829 D HN 0.804 nan 8.370 nan 0.000 0.517 830 A N 4.647 126.833 122.820 -1.057 0.000 1.933 830 A HA -0.173 3.953 4.320 -0.323 0.000 0.218 830 A C 2.054 179.416 177.584 -0.369 0.000 1.175 830 A CA 1.201 52.804 52.037 -0.723 0.000 0.628 830 A CB -0.189 18.665 19.000 -0.243 0.000 0.814 830 A HN 0.564 nan 8.150 nan 0.000 0.444 831 K N -0.775 119.453 120.400 -0.286 0.000 2.032 831 K HA -0.194 3.932 4.320 -0.323 0.000 0.209 831 K C 2.290 178.795 176.600 -0.158 0.000 1.048 831 K CA 1.966 58.150 56.287 -0.172 0.000 0.927 831 K CB -0.152 32.267 32.500 -0.135 0.000 0.712 831 K HN 0.639 nan 8.250 nan 0.000 0.441 832 Q N -1.459 118.223 119.800 -0.198 0.000 2.302 832 Q HA 0.049 4.195 4.340 -0.323 0.000 0.202 832 Q C 0.539 176.460 176.000 -0.131 0.000 0.936 832 Q CA 0.644 56.365 55.803 -0.136 0.000 0.886 832 Q CB 0.764 29.436 28.738 -0.110 0.000 0.986 832 Q HN 0.535 nan 8.270 nan 0.000 0.487 833 G N 0.953 109.606 108.800 -0.246 0.000 2.303 833 G HA2 -0.189 3.577 3.960 -0.323 0.000 0.260 833 G HA3 -0.189 3.577 3.960 -0.323 0.000 0.260 833 G C -0.448 174.372 174.900 -0.133 0.000 1.106 833 G CA -0.064 44.936 45.100 -0.167 0.000 0.900 833 G HN 0.156 nan 8.290 nan 0.000 0.495 834 V N 0.679 120.437 119.914 -0.260 0.000 2.735 834 V HA 0.804 4.730 4.120 -0.323 0.000 0.310 834 V C -0.132 175.989 176.094 0.044 0.000 1.061 834 V CA -1.072 61.230 62.300 0.003 0.000 0.913 834 V CB 2.008 33.850 31.823 0.033 0.000 1.005 834 V HN 0.355 nan 8.190 nan 0.000 0.428 835 W N 1.619 123.137 121.300 0.363 0.000 2.736 835 W HA 0.711 5.174 4.660 -0.328 0.000 0.335 835 W C 0.163 176.879 176.519 0.328 0.000 1.059 835 W CA -0.872 56.710 57.345 0.394 0.000 1.226 835 W CB 2.576 32.309 29.460 0.454 0.000 1.416 835 W HN 0.737 nan 8.180 nan 0.000 0.505 836 G N 3.245 112.404 108.800 0.597 0.000 2.574 836 G HA2 0.717 4.483 3.960 -0.323 0.000 0.306 836 G HA3 0.717 4.483 3.960 -0.323 0.000 0.306 836 G C -1.309 174.012 174.900 0.703 0.000 1.334 836 G CA -0.491 45.004 45.100 0.658 0.000 0.954 836 G HN 0.339 nan 8.290 nan 0.000 0.500 837 I N 1.679 122.583 120.570 0.558 0.000 2.545 837 I HA 0.466 4.443 4.170 -0.323 0.000 0.292 837 I C -0.710 175.680 176.117 0.455 0.000 1.040 837 I CA -1.246 60.331 61.300 0.462 0.000 1.068 837 I CB 2.689 40.826 38.000 0.228 0.000 1.251 837 I HN 0.079 nan 8.210 nan 0.000 0.424 838 V N 5.418 125.581 119.914 0.415 0.000 2.483 838 V HA 0.416 4.342 4.120 -0.323 0.000 0.297 838 V C -0.353 175.969 176.094 0.379 0.000 1.027 838 V CA -0.741 61.786 62.300 0.379 0.000 0.855 838 V CB 1.978 34.003 31.823 0.336 0.000 0.995 838 V HN 0.635 nan 8.190 nan 0.000 0.424 839 K N 3.277 123.908 120.400 0.386 0.000 2.292 839 K HA 0.478 4.604 4.320 -0.323 0.000 0.257 839 K C -0.717 175.995 176.600 0.187 0.000 0.940 839 K CA -0.616 55.858 56.287 0.313 0.000 0.811 839 K CB 2.109 34.796 32.500 0.312 0.000 1.120 839 K HN 0.613 nan 8.250 nan 0.000 0.428 840 Y N 0.847 121.175 120.300 0.046 0.000 2.457 840 Y HA 0.012 4.364 4.550 -0.329 0.000 0.263 840 Y C 0.036 175.841 175.900 -0.158 0.000 1.164 840 Y CA -0.037 57.958 58.100 -0.174 0.000 1.274 840 Y CB 0.542 38.897 38.460 -0.176 0.000 1.097 840 Y HN 0.684 nan 8.280 nan 0.000 0.523 841 D N -3.494 116.944 120.400 0.063 0.000 2.626 841 D HA 0.140 4.586 4.640 -0.323 0.000 0.278 841 D C -0.832 175.496 176.300 0.047 0.000 1.211 841 D CA -0.716 53.301 54.000 0.029 0.000 0.903 841 D CB 0.508 41.331 40.800 0.039 0.000 1.408 841 D HN -0.218 nan 8.370 nan 0.000 0.454 842 D N -0.003 120.414 120.400 0.029 0.000 2.706 842 D HA 0.117 4.563 4.640 -0.323 0.000 0.236 842 D C 0.111 176.421 176.300 0.017 0.000 1.231 842 D CA 0.046 54.065 54.000 0.031 0.000 0.828 842 D CB 0.126 40.938 40.800 0.019 0.000 1.015 842 D HN 0.422 nan 8.370 nan 0.000 0.484 843 S N -0.876 114.835 115.700 0.018 0.000 2.655 843 S HA 0.341 4.617 4.470 -0.323 0.000 0.265 843 S C 0.340 174.934 174.600 -0.010 0.000 1.240 843 S CA -0.701 57.500 58.200 0.001 0.000 0.986 843 S CB 1.777 64.979 63.200 0.003 0.000 0.985 843 S HN -0.098 nan 8.310 nan 0.000 0.562 844 V N 1.959 121.856 119.914 -0.028 0.000 2.406 844 V HA 0.445 4.371 4.120 -0.323 0.000 0.272 844 V C -0.032 176.024 176.094 -0.063 0.000 1.043 844 V CA -0.406 61.864 62.300 -0.050 0.000 0.915 844 V CB 0.800 32.587 31.823 -0.060 0.000 0.988 844 V HN 0.921 nan 8.190 nan 0.000 0.466 845 S N 2.984 118.634 115.700 -0.082 0.000 2.478 845 S HA 0.522 4.798 4.470 -0.323 0.000 0.312 845 S C 0.002 174.506 174.600 -0.159 0.000 1.094 845 S CA -0.551 57.589 58.200 -0.101 0.000 1.081 845 S CB 1.640 64.790 63.200 -0.083 0.000 1.007 845 S HN 0.775 nan 8.310 nan 0.000 0.475 846 T N 4.349 118.794 114.554 -0.181 0.000 2.749 846 T HA 0.436 4.592 4.350 -0.323 0.000 0.287 846 T C -0.175 174.313 174.700 -0.352 0.000 0.970 846 T CA -0.504 61.437 62.100 -0.265 0.000 0.980 846 T CB 0.151 68.890 68.868 -0.215 0.000 0.924 846 T HN 0.357 nan 8.240 nan 0.000 0.456 847 I N 2.435 122.636 120.570 -0.616 0.000 2.354 847 I HA 0.286 4.262 4.170 -0.323 0.000 0.292 847 I C 0.959 176.588 176.117 -0.815 0.000 0.989 847 I CA -0.627 60.225 61.300 -0.747 0.000 1.188 847 I CB 0.804 38.171 38.000 -1.054 0.000 1.342 847 I HN 0.770 nan 8.210 nan 0.000 0.457 848 S N 4.137 119.587 115.700 -0.416 0.000 3.350 848 S HA -0.311 3.965 4.470 -0.323 0.000 0.341 848 S C 0.939 175.389 174.600 -0.251 0.000 1.176 848 S CA 1.318 59.362 58.200 -0.261 0.000 0.972 848 S CB -1.695 61.414 63.200 -0.151 0.000 0.953 848 S HN 0.951 nan 8.310 nan 0.000 0.565 849 N N -0.726 117.802 118.700 -0.287 0.000 2.693 849 N HA -0.283 4.263 4.740 -0.323 0.000 0.249 849 N C 0.703 176.088 175.510 -0.208 0.000 1.119 849 N CA 1.439 54.361 53.050 -0.214 0.000 0.717 849 N CB -0.424 37.990 38.487 -0.121 0.000 1.071 849 N HN 0.757 nan 8.380 nan 0.000 0.555 850 Q N -1.587 118.000 119.800 -0.354 0.000 2.471 850 Q HA 0.201 4.347 4.340 -0.323 0.000 0.241 850 Q C -0.165 175.693 176.000 -0.236 0.000 0.886 850 Q CA 0.927 56.603 55.803 -0.212 0.000 0.953 850 Q CB 0.628 29.315 28.738 -0.085 0.000 1.108 850 Q HN 0.455 nan 8.270 nan 0.000 0.575 851 F N -1.631 118.073 119.950 -0.409 0.000 2.779 851 F HA 0.546 4.878 4.527 -0.325 0.000 0.316 851 F C -1.637 173.848 175.800 -0.525 0.000 1.164 851 F CA -1.283 56.362 58.000 -0.592 0.000 0.924 851 F CB 1.034 39.485 39.000 -0.915 0.000 1.348 851 F HN -0.347 nan 8.300 nan 0.000 0.467 852 Q N 1.290 120.926 119.800 -0.273 0.000 2.375 852 Q HA 0.714 4.861 4.340 -0.323 0.000 0.271 852 Q C -1.422 174.460 176.000 -0.196 0.000 1.074 852 Q CA -1.445 54.223 55.803 -0.225 0.000 0.808 852 Q CB 3.398 32.004 28.738 -0.220 0.000 1.327 852 Q HN 0.730 nan 8.270 nan 0.000 0.441 853 V N 0.191 120.019 119.914 -0.144 0.000 2.495 853 V HA 0.425 4.352 4.120 -0.323 0.000 0.298 853 V C 0.259 176.306 176.094 -0.078 0.000 1.031 853 V CA -0.620 61.587 62.300 -0.155 0.000 0.871 853 V CB 0.891 32.440 31.823 -0.456 0.000 0.988 853 V HN 0.823 nan 8.190 nan 0.000 0.432 854 L N 1.271 122.492 121.223 -0.003 0.000 2.408 854 L HA 0.418 4.564 4.340 -0.323 0.000 0.215 854 L C 0.938 177.842 176.870 0.057 0.000 1.081 854 L CA 0.458 55.303 54.840 0.008 0.000 0.840 854 L CB -0.257 41.791 42.059 -0.018 0.000 1.002 854 L HN 0.534 nan 8.230 nan 0.000 0.468 855 K N 1.339 121.819 120.400 0.133 0.000 2.208 855 K HA 0.351 4.477 4.320 -0.323 0.000 0.247 855 K C -0.556 176.206 176.600 0.271 0.000 0.953 855 K CA -0.807 55.561 56.287 0.135 0.000 0.837 855 K CB 2.357 34.868 32.500 0.018 0.000 1.131 855 K HN -0.068 nan 8.250 nan 0.000 0.431 856 R N 0.503 121.110 120.500 0.179 0.000 2.502 856 R HA 0.241 4.387 4.340 -0.323 0.000 0.292 856 R C 0.145 176.623 176.300 0.297 0.000 0.998 856 R CA 1.007 57.205 56.100 0.165 0.000 1.056 856 R CB -0.103 30.196 30.300 -0.002 0.000 0.939 856 R HN 0.842 nan 8.270 nan 0.000 0.411 857 G N 1.598 110.630 108.800 0.386 0.000 2.368 857 G HA2 0.213 3.979 3.960 -0.323 0.000 0.269 857 G HA3 0.213 3.979 3.960 -0.323 0.000 0.269 857 G C -1.776 173.261 174.900 0.229 0.000 1.291 857 G CA -0.405 44.864 45.100 0.281 0.000 0.903 857 G HN 0.518 nan 8.290 nan 0.000 0.483 858 V N 0.641 120.503 119.914 -0.087 0.000 2.588 858 V HA 0.748 4.675 4.120 -0.323 0.000 0.304 858 V C -1.276 174.828 176.094 0.016 0.000 1.042 858 V CA -0.664 61.668 62.300 0.053 0.000 0.877 858 V CB 1.190 32.982 31.823 -0.051 0.000 0.996 858 V HN 0.664 nan 8.190 nan 0.000 0.425 859 Y N 1.184 121.592 120.300 0.180 0.000 2.536 859 Y HA 0.763 5.118 4.550 -0.326 0.000 0.347 859 Y C 0.291 176.307 175.900 0.194 0.000 1.000 859 Y CA -1.201 57.026 58.100 0.211 0.000 1.051 859 Y CB 2.512 41.122 38.460 0.251 0.000 1.259 859 Y HN 0.509 nan 8.280 nan 0.000 0.468 860 T N 3.780 118.534 114.554 0.333 0.000 3.066 860 T HA 0.611 4.767 4.350 -0.323 0.000 0.318 860 T C -0.797 174.061 174.700 0.264 0.000 0.979 860 T CA -0.387 61.883 62.100 0.282 0.000 1.025 860 T CB 0.140 69.116 68.868 0.179 0.000 1.002 860 T HN 0.391 nan 8.240 nan 0.000 0.453 861 I N 2.656 123.437 120.570 0.351 0.000 2.465 861 I HA 0.582 4.558 4.170 -0.323 0.000 0.291 861 I C 0.052 176.466 176.117 0.495 0.000 1.014 861 I CA -1.015 60.478 61.300 0.321 0.000 1.093 861 I CB 2.234 40.319 38.000 0.141 0.000 1.267 861 I HN 0.348 nan 8.210 nan 0.000 0.431 862 R N 5.764 126.472 120.500 0.347 0.000 2.494 862 R HA 0.419 4.565 4.340 -0.323 0.000 0.305 862 R C -0.874 175.630 176.300 0.340 0.000 0.959 862 R CA -0.803 55.492 56.100 0.325 0.000 0.864 862 R CB 1.566 31.962 30.300 0.159 0.000 1.159 862 R HN 0.563 nan 8.270 nan 0.000 0.446 863 K N 3.531 124.166 120.400 0.392 0.000 2.285 863 K HA 0.100 4.226 4.320 -0.323 0.000 0.286 863 K C -0.969 175.631 176.600 -0.000 0.000 1.072 863 K CA -0.106 56.268 56.287 0.144 0.000 0.913 863 K CB 0.857 33.533 32.500 0.294 0.000 1.067 863 K HN 0.616 nan 8.250 nan 0.000 0.479 864 E N 3.752 123.895 120.200 -0.095 0.000 2.173 864 E HA 0.200 4.356 4.350 -0.323 0.000 0.249 864 E C 0.356 176.903 176.600 -0.088 0.000 0.923 864 E CA -0.322 56.044 56.400 -0.057 0.000 0.754 864 E CB 1.218 30.900 29.700 -0.030 0.000 1.177 864 E HN 1.013 nan 8.360 nan 0.000 0.430 865 G N 3.817 112.578 108.800 -0.065 0.000 2.543 865 G HA2 -0.340 3.427 3.960 -0.323 0.000 0.286 865 G HA3 -0.340 3.427 3.960 -0.323 0.000 0.286 865 G C 0.396 175.238 174.900 -0.096 0.000 1.153 865 G CA 0.250 45.318 45.100 -0.054 0.000 0.968 865 G HN 0.582 nan 8.290 nan 0.000 0.544 866 D N 2.229 122.579 120.400 -0.084 0.000 2.369 866 D HA 0.191 4.637 4.640 -0.323 0.000 0.211 866 D C 1.092 177.305 176.300 -0.144 0.000 1.077 866 D CA 0.491 54.442 54.000 -0.081 0.000 0.842 866 D CB 0.423 41.223 40.800 -0.000 0.000 0.947 866 D HN 0.581 nan 8.370 nan 0.000 0.509 867 E N 0.010 120.093 120.200 -0.195 0.000 2.504 867 E HA 0.374 4.530 4.350 -0.323 0.000 0.253 867 E C -0.704 175.658 176.600 -0.396 0.000 1.151 867 E CA -0.503 55.807 56.400 -0.150 0.000 0.972 867 E CB 1.178 30.843 29.700 -0.057 0.000 1.247 867 E HN -0.040 nan 8.360 nan 0.000 0.519 868 Y N 0.082 120.363 120.300 -0.032 0.000 2.298 868 Y HA 0.183 4.539 4.550 -0.324 0.000 0.322 868 Y C -0.241 175.542 175.900 -0.194 0.000 1.138 868 Y CA -0.620 57.404 58.100 -0.125 0.000 1.127 868 Y CB 1.514 39.771 38.460 -0.339 0.000 1.178 868 Y HN 0.213 nan 8.280 nan 0.000 0.428 869 K N 4.734 125.153 120.400 0.031 0.000 2.312 869 K HA 0.566 4.692 4.320 -0.323 0.000 0.287 869 K C -1.059 175.521 176.600 -0.033 0.000 1.062 869 K CA -0.044 56.241 56.287 -0.004 0.000 0.934 869 K CB 0.383 32.900 32.500 0.028 0.000 1.027 869 K HN 0.684 nan 8.250 nan 0.000 0.478 870 I N 3.441 123.960 120.570 -0.085 0.000 2.406 870 I HA 0.308 4.284 4.170 -0.323 0.000 0.290 870 I C -0.464 175.665 176.117 0.020 0.000 0.999 870 I CA -0.731 60.521 61.300 -0.080 0.000 1.124 870 I CB 2.011 39.876 38.000 -0.225 0.000 1.289 870 I HN 0.609 nan 8.210 nan 0.000 0.441 871 A N 6.587 129.453 122.820 0.076 0.000 2.328 871 A HA 0.541 4.667 4.320 -0.323 0.000 0.318 871 A C -1.349 176.299 177.584 0.107 0.000 1.347 871 A CA -0.348 51.735 52.037 0.077 0.000 0.842 871 A CB 0.290 19.323 19.000 0.056 0.000 1.148 871 A HN 0.631 nan 8.150 nan 0.000 0.499 872 Y N 2.468 122.741 120.300 -0.045 0.000 2.393 872 Y HA 0.661 5.021 4.550 -0.316 0.000 0.341 872 Y C -1.604 174.270 175.900 -0.044 0.000 0.988 872 Y CA -1.399 56.596 58.100 -0.176 0.000 1.078 872 Y CB 1.499 39.786 38.460 -0.287 0.000 1.203 872 Y HN 0.626 nan 8.280 nan 0.000 0.453 873 Y N 5.921 125.416 120.300 -1.341 0.000 2.441 873 Y HA 0.326 4.684 4.550 -0.321 0.000 0.334 873 Y C -1.497 173.819 175.900 -0.973 0.000 1.061 873 Y CA -1.229 56.306 58.100 -0.942 0.000 1.032 873 Y CB 1.475 39.662 38.460 -0.455 0.000 1.266 873 Y HN 0.790 nan 8.280 nan 0.000 0.441 874 N N 8.349 126.307 118.700 -1.237 0.000 2.527 874 N HA 0.254 4.801 4.740 -0.323 0.000 0.236 874 N C -1.997 172.940 175.510 -0.955 0.000 0.999 874 N CA -2.193 50.398 53.050 -0.766 0.000 0.935 874 N CB 1.375 39.669 38.487 -0.322 0.000 1.132 874 N HN 0.409 nan 8.380 nan 0.000 0.511 875 P HA -0.185 nan 4.420 nan 0.000 0.218 875 P C 0.386 177.534 177.300 -0.254 0.000 1.146 875 P CA 1.375 64.183 63.100 -0.486 0.000 0.813 875 P CB 0.406 31.861 31.700 -0.409 0.000 0.778 876 E N -0.390 119.728 120.200 -0.138 0.000 2.107 876 E HA -0.082 4.074 4.350 -0.323 0.000 0.191 876 E C 2.019 178.580 176.600 -0.066 0.000 0.982 876 E CA 1.837 58.220 56.400 -0.028 0.000 0.809 876 E CB -0.418 29.320 29.700 0.063 0.000 0.756 876 E HN 0.396 nan 8.360 nan 0.000 0.459 877 T N -2.439 112.040 114.554 -0.125 0.000 3.044 877 T HA 0.014 4.170 4.350 -0.323 0.000 0.250 877 T C 0.670 175.295 174.700 -0.125 0.000 1.081 877 T CA -0.066 61.977 62.100 -0.095 0.000 1.040 877 T CB 0.176 68.998 68.868 -0.077 0.000 0.962 877 T HN 0.072 nan 8.240 nan 0.000 0.506 878 Q N 0.814 120.454 119.800 -0.265 0.000 2.475 878 Q HA -0.157 3.989 4.340 -0.323 0.000 0.280 878 Q C -0.841 175.121 176.000 -0.064 0.000 1.234 878 Q CA 0.914 56.606 55.803 -0.185 0.000 0.873 878 Q CB -1.761 27.005 28.738 0.047 0.000 1.256 878 Q HN 0.791 nan 8.270 nan 0.000 0.475 879 E N -0.787 119.275 120.200 -0.231 0.000 2.429 879 E HA 0.609 4.765 4.350 -0.323 0.000 0.276 879 E C -0.518 176.034 176.600 -0.080 0.000 0.953 879 E CA -0.445 55.930 56.400 -0.041 0.000 0.787 879 E CB 1.981 31.676 29.700 -0.008 0.000 1.307 879 E HN 0.067 nan 8.360 nan 0.000 0.458 880 S N -0.026 115.711 115.700 0.063 0.000 2.414 880 S HA 0.862 5.138 4.470 -0.323 0.000 0.267 880 S C -0.735 174.006 174.600 0.234 0.000 1.165 880 S CA 0.367 58.639 58.200 0.120 0.000 1.028 880 S CB 0.852 64.138 63.200 0.143 0.000 1.154 880 S HN 0.644 nan 8.310 nan 0.000 0.472 881 A N 0.298 123.293 122.820 0.291 0.000 2.566 881 A HA 0.682 4.808 4.320 -0.323 0.000 0.290 881 A C -3.160 174.465 177.584 0.069 0.000 1.071 881 A CA -1.144 50.982 52.037 0.147 0.000 0.658 881 A CB -0.007 19.037 19.000 0.074 0.000 1.285 881 A HN 0.572 nan 8.150 nan 0.000 0.427 882 P HA 0.254 nan 4.420 nan 0.000 0.271 882 P C -0.067 177.230 177.300 -0.005 0.000 1.216 882 P CA -0.179 62.929 63.100 0.013 0.000 0.776 882 P CB 0.588 32.295 31.700 0.012 0.000 0.881 883 D N 1.470 121.879 120.400 0.015 0.000 2.158 883 D HA -0.203 4.243 4.640 -0.323 0.000 0.197 883 D C 1.576 177.928 176.300 0.087 0.000 0.995 883 D CA 1.410 55.431 54.000 0.034 0.000 0.846 883 D CB 0.014 40.823 40.800 0.015 0.000 0.941 883 D HN 0.543 nan 8.370 nan 0.000 0.456 884 Q N 0.509 120.344 119.800 0.058 0.000 2.084 884 Q HA -0.164 3.982 4.340 -0.323 0.000 0.202 884 Q C 2.117 178.127 176.000 0.017 0.000 0.978 884 Q CA 0.865 56.698 55.803 0.049 0.000 0.844 884 Q CB -0.141 28.615 28.738 0.030 0.000 0.898 884 Q HN 0.451 nan 8.270 nan 0.000 0.426 885 E N 0.003 120.196 120.200 -0.012 0.000 2.150 885 E HA -0.142 4.014 4.350 -0.323 0.000 0.193 885 E C 1.821 178.375 176.600 -0.078 0.000 0.985 885 E CA 1.470 57.842 56.400 -0.048 0.000 0.814 885 E CB 0.328 29.988 29.700 -0.066 0.000 0.752 885 E HN 0.297 nan 8.360 nan 0.000 0.466 886 V N -2.522 117.338 119.914 -0.090 0.000 3.604 886 V HA 0.310 4.236 4.120 -0.323 0.000 0.277 886 V C 0.125 176.307 176.094 0.146 0.000 1.399 886 V CA -0.398 61.866 62.300 -0.060 0.000 1.034 886 V CB 0.106 31.689 31.823 -0.399 0.000 0.824 886 V HN 0.097 nan 8.190 nan 0.000 0.439 887 F N 1.452 121.367 119.950 -0.060 0.000 2.563 887 F HA 0.774 5.107 4.527 -0.323 0.000 0.316 887 F C -0.607 175.135 175.800 -0.097 0.000 1.076 887 F CA -0.951 56.991 58.000 -0.097 0.000 0.921 887 F CB 1.948 40.862 39.000 -0.144 0.000 1.209 887 F HN -0.043 nan 8.300 nan 0.000 0.462 888 K N 5.596 125.427 120.400 -0.948 0.000 2.615 888 K HA 0.234 4.360 4.320 -0.323 0.000 0.249 888 K C -1.379 174.688 176.600 -0.887 0.000 0.977 888 K CA -0.821 55.066 56.287 -0.666 0.000 0.833 888 K CB 1.571 33.879 32.500 -0.319 0.000 1.208 888 K HN 0.775 nan 8.250 nan 0.000 0.443 889 K N 4.935 124.995 120.400 -0.566 0.000 2.382 889 K HA 0.172 4.298 4.320 -0.323 0.000 0.275 889 K C -0.478 176.020 176.600 -0.170 0.000 1.009 889 K CA -0.261 55.855 56.287 -0.285 0.000 0.970 889 K CB 0.542 33.081 32.500 0.066 0.000 0.934 889 K HN 0.551 nan 8.250 nan 0.000 0.479 890 L N 2.435 123.592 121.223 -0.111 0.000 2.399 890 L HA 0.470 4.616 4.340 -0.323 0.000 0.266 890 L C 0.486 177.341 176.870 -0.025 0.000 1.114 890 L CA 0.127 54.916 54.840 -0.086 0.000 0.804 890 L CB 1.397 43.393 42.059 -0.104 0.000 1.146 890 L HN 0.992 nan 8.230 nan 0.000 0.451 891 E N 0.000 120.183 120.200 -0.029 0.000 2.725 891 E HA 0.000 4.156 4.350 -0.323 0.000 0.291 891 E CA 0.000 nan 56.400 nan 0.000 0.976 891 E CB 0.000 nan 29.700 nan 0.000 0.812 891 E HN 0.000 nan 8.360 nan 0.000 0.440