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 1loh_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 TNVAYTGAFG 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 L 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 0.000 176.114 176.094 0.033 0.000 1.182 170 V CA 0.000 62.313 62.300 0.021 0.000 1.235 170 V CB 0.000 31.836 31.823 0.021 0.000 1.184 171 K N -0.413 120.011 120.400 0.040 0.000 2.234 171 K HA 0.820 5.021 4.320 -0.198 0.000 0.263 171 K C -1.586 175.056 176.600 0.070 0.000 1.006 171 K CA 0.333 56.656 56.287 0.060 0.000 0.854 171 K CB 1.703 34.239 32.500 0.060 0.000 1.497 171 K HN 1.230 nan 8.250 nan 0.000 0.417 172 D N -2.775 117.683 120.400 0.096 0.000 3.057 172 D HA 0.128 4.649 4.640 -0.198 0.000 0.328 172 D C 0.692 177.020 176.300 0.047 0.000 1.317 172 D CA -0.141 53.909 54.000 0.083 0.000 0.973 172 D CB -0.354 40.536 40.800 0.149 0.000 1.424 172 D HN 0.410 nan 8.370 nan 0.000 0.569 173 T N -2.992 111.536 114.554 -0.044 0.000 3.007 173 T HA -0.129 4.102 4.350 -0.198 0.000 0.270 173 T C 1.219 175.840 174.700 -0.132 0.000 1.107 173 T CA 1.018 63.045 62.100 -0.121 0.000 1.118 173 T CB -0.682 68.051 68.868 -0.224 0.000 0.889 173 T HN 0.366 nan 8.240 nan 0.000 0.506 174 Y N 2.667 122.978 120.300 0.020 0.000 2.184 174 Y HA -0.010 4.419 4.550 -0.201 0.000 0.290 174 Y C 3.244 179.162 175.900 0.030 0.000 1.129 174 Y CA 1.562 59.673 58.100 0.017 0.000 1.144 174 Y CB -0.970 37.496 38.460 0.011 0.000 0.995 174 Y HN 0.448 nan 8.280 nan 0.000 0.513 175 T N -2.773 111.900 114.554 0.198 0.000 2.915 175 T HA -0.142 4.090 4.350 -0.198 0.000 0.269 175 T C 1.365 176.130 174.700 0.109 0.000 1.071 175 T CA 1.449 63.632 62.100 0.139 0.000 1.132 175 T CB -0.360 68.576 68.868 0.112 0.000 0.878 175 T HN 0.142 nan 8.240 nan 0.000 0.479 176 D N 1.149 121.598 120.400 0.081 0.000 2.144 176 D HA -0.037 4.484 4.640 -0.198 0.000 0.199 176 D C 2.473 178.821 176.300 0.080 0.000 0.984 176 D CA 0.785 54.822 54.000 0.061 0.000 0.834 176 D CB -0.146 40.669 40.800 0.026 0.000 0.955 176 D HN 0.277 nan 8.370 nan 0.000 0.465 177 R N 0.142 120.691 120.500 0.081 0.000 2.090 177 R HA 0.057 4.278 4.340 -0.198 0.000 0.228 177 R C 2.511 178.908 176.300 0.163 0.000 1.110 177 R CA 0.278 56.439 56.100 0.101 0.000 0.973 177 R CB -0.739 29.602 30.300 0.069 0.000 0.869 177 R HN 0.301 nan 8.270 nan 0.000 0.440 178 L N 0.703 122.023 121.223 0.163 0.000 2.217 178 L HA -0.131 4.090 4.340 -0.198 0.000 0.211 178 L C 1.816 178.827 176.870 0.235 0.000 1.107 178 L CA 0.916 55.886 54.840 0.218 0.000 0.783 178 L CB -0.347 41.815 42.059 0.172 0.000 0.919 178 L HN 0.017 nan 8.230 nan 0.000 0.442 179 D N 0.161 120.661 120.400 0.167 0.000 2.117 179 D HA -0.166 4.355 4.640 -0.198 0.000 0.198 179 D C 1.754 178.143 176.300 0.147 0.000 0.982 179 D CA 1.145 55.225 54.000 0.134 0.000 0.828 179 D CB -0.052 40.804 40.800 0.093 0.000 0.967 179 D HN 0.238 nan 8.370 nan 0.000 0.464 180 D N -0.228 120.271 120.400 0.165 0.000 2.117 180 D HA -0.153 4.368 4.640 -0.198 0.000 0.197 180 D C 1.838 178.279 176.300 0.234 0.000 0.987 180 D CA 0.478 54.584 54.000 0.177 0.000 0.829 180 D CB -0.462 40.440 40.800 0.170 0.000 0.961 180 D HN 0.407 nan 8.370 nan 0.000 0.460 181 W N 1.565 122.906 121.300 0.068 0.000 2.358 181 W HA -0.181 4.355 4.660 -0.205 0.000 0.303 181 W C 1.407 177.968 176.519 0.069 0.000 1.208 181 W CA 0.767 58.150 57.345 0.064 0.000 1.274 181 W CB -0.053 29.441 29.460 0.056 0.000 1.138 181 W HN -0.059 nan 8.180 nan 0.000 0.515 182 N N 0.475 119.233 118.700 0.096 0.000 2.166 182 N HA -0.124 4.497 4.740 -0.198 0.000 0.186 182 N C 1.929 177.424 175.510 -0.025 0.000 1.019 182 N CA 1.972 55.018 53.050 -0.008 0.000 0.856 182 N CB -1.297 37.244 38.487 0.089 0.000 0.993 182 N HN 0.260 nan 8.380 nan 0.000 0.426 183 G N 0.384 109.217 108.800 0.055 0.000 2.443 183 G HA2 -0.112 3.729 3.960 -0.198 0.000 0.219 183 G HA3 -0.112 3.729 3.960 -0.198 0.000 0.219 183 G C 1.620 176.604 174.900 0.141 0.000 1.131 183 G CA 0.261 45.458 45.100 0.162 0.000 0.775 183 G HN 0.266 nan 8.290 nan 0.000 0.547 184 I N 0.838 121.381 120.570 -0.045 0.000 2.339 184 I HA 0.046 4.097 4.170 -0.198 0.000 0.245 184 I C 2.571 178.501 176.117 -0.311 0.000 1.096 184 I CA 0.680 61.881 61.300 -0.166 0.000 1.408 184 I CB -0.036 37.831 38.000 -0.221 0.000 1.092 184 I HN 0.282 nan 8.210 nan 0.000 0.423 185 I N -1.806 118.464 120.570 -0.499 0.000 2.876 185 I HA 0.132 4.183 4.170 -0.198 0.000 0.264 185 I C 2.064 178.013 176.117 -0.280 0.000 1.204 185 I CA 1.147 62.153 61.300 -0.490 0.000 1.485 185 I CB -0.140 37.422 38.000 -0.732 0.000 1.103 185 I HN 0.040 nan 8.210 nan 0.000 0.446 186 A N 1.038 123.746 122.820 -0.187 0.000 1.971 186 A HA 0.547 4.748 4.320 -0.198 0.000 0.200 186 A C 1.872 179.420 177.584 -0.061 0.000 1.658 186 A CA 0.673 52.628 52.037 -0.137 0.000 0.962 186 A CB -0.388 18.580 19.000 -0.053 0.000 1.053 186 A HN 0.731 nan 8.150 nan 0.000 0.533 187 G N 0.542 109.415 108.800 0.122 0.000 2.198 187 G HA2 -0.270 3.571 3.960 -0.198 0.000 0.257 187 G HA3 -0.270 3.571 3.960 -0.198 0.000 0.257 187 G C 0.482 175.704 174.900 0.537 0.000 1.042 187 G CA 0.660 46.010 45.100 0.416 0.000 0.791 187 G HN 0.340 nan 8.290 nan 0.000 0.502 188 N N 0.337 119.241 118.700 0.341 0.000 2.205 188 N HA -0.105 4.516 4.740 -0.198 0.000 0.186 188 N C 2.398 177.998 175.510 0.149 0.000 1.015 188 N CA 1.602 54.842 53.050 0.316 0.000 0.862 188 N CB -0.232 38.361 38.487 0.176 0.000 0.986 188 N HN 0.923 nan 8.380 nan 0.000 0.429 189 Q N -0.634 119.157 119.800 -0.014 0.000 2.437 189 Q HA -0.127 4.095 4.340 -0.198 0.000 0.210 189 Q C 0.370 176.195 176.000 -0.292 0.000 0.972 189 Q CA 1.118 56.793 55.803 -0.213 0.000 0.903 189 Q CB -0.153 28.356 28.738 -0.383 0.000 0.967 189 Q HN 0.455 nan 8.270 nan 0.000 0.486 190 Y N -1.221 119.148 120.300 0.115 0.000 2.467 190 Y HA 0.203 4.636 4.550 -0.195 0.000 0.250 190 Y C 0.070 175.970 175.900 -0.000 0.000 1.155 190 Y CA -1.063 57.080 58.100 0.071 0.000 1.249 190 Y CB 0.099 38.624 38.460 0.109 0.000 1.146 190 Y HN 0.102 nan 8.280 nan 0.000 0.524 191 Y N 2.578 122.825 120.300 -0.088 0.000 2.597 191 Y HA 0.210 4.642 4.550 -0.197 0.000 0.336 191 Y C -0.147 175.612 175.900 -0.234 0.000 1.216 191 Y CA -0.169 57.692 58.100 -0.399 0.000 1.463 191 Y CB 0.452 38.556 38.460 -0.594 0.000 1.303 191 Y HN 0.108 nan 8.280 nan 0.000 0.576 192 D N 2.773 122.516 120.400 -1.095 0.000 2.616 192 D HA 0.134 4.655 4.640 -0.198 0.000 0.238 192 D C 0.265 176.003 176.300 -0.936 0.000 1.354 192 D CA -0.004 53.572 54.000 -0.708 0.000 0.970 192 D CB 1.105 41.682 40.800 -0.372 0.000 1.369 192 D HN 0.518 nan 8.370 nan 0.000 0.585 193 S N 3.510 118.819 115.700 -0.650 0.000 2.419 193 S HA -0.151 4.200 4.470 -0.198 0.000 0.235 193 S C 1.507 175.958 174.600 -0.249 0.000 1.019 193 S CA 0.536 58.520 58.200 -0.360 0.000 0.982 193 S CB -0.036 63.114 63.200 -0.083 0.000 0.789 193 S HN 0.356 nan 8.310 nan 0.000 0.490 194 K N 1.854 122.117 120.400 -0.228 0.000 2.486 194 K HA 0.184 4.385 4.320 -0.198 0.000 0.194 194 K C 0.383 176.879 176.600 -0.173 0.000 1.033 194 K CA 0.021 56.212 56.287 -0.160 0.000 1.004 194 K CB -0.558 31.867 32.500 -0.125 0.000 0.798 194 K HN 0.409 nan 8.250 nan 0.000 0.495 195 N N 2.050 120.605 118.700 -0.243 0.000 2.406 195 N HA -0.035 4.586 4.740 -0.198 0.000 0.251 195 N C 0.232 175.625 175.510 -0.194 0.000 1.069 195 N CA 0.213 53.131 53.050 -0.219 0.000 0.947 195 N CB 1.173 39.506 38.487 -0.257 0.000 1.111 195 N HN -0.098 nan 8.380 nan 0.000 0.497 196 D N 2.030 122.332 120.400 -0.163 0.000 2.127 196 D HA -0.204 4.317 4.640 -0.198 0.000 0.190 196 D C 1.453 177.663 176.300 -0.149 0.000 1.000 196 D CA 1.682 55.595 54.000 -0.145 0.000 0.839 196 D CB 0.419 41.126 40.800 -0.155 0.000 0.955 196 D HN 0.565 nan 8.370 nan 0.000 0.446 197 Q N -0.597 119.067 119.800 -0.226 0.000 2.050 197 Q HA -0.103 4.118 4.340 -0.198 0.000 0.202 197 Q C 2.430 178.411 176.000 -0.032 0.000 0.980 197 Q CA 1.009 56.670 55.803 -0.236 0.000 0.840 197 Q CB -0.390 28.024 28.738 -0.540 0.000 0.898 197 Q HN 0.493 nan 8.270 nan 0.000 0.424 198 M N -0.085 119.511 119.600 -0.006 0.000 2.117 198 M HA -0.106 4.255 4.480 -0.198 0.000 0.262 198 M C 2.308 178.776 176.300 0.281 0.000 1.065 198 M CA 1.500 56.901 55.300 0.168 0.000 1.114 198 M CB -0.521 32.009 32.600 -0.116 0.000 1.361 198 M HN 0.149 nan 8.290 nan 0.000 0.408 199 A N 0.492 123.365 122.820 0.088 0.000 1.940 199 A HA -0.218 3.983 4.320 -0.198 0.000 0.219 199 A C 2.161 179.838 177.584 0.154 0.000 1.176 199 A CA 2.033 54.175 52.037 0.175 0.000 0.631 199 A CB -0.661 18.358 19.000 0.032 0.000 0.814 199 A HN 0.459 nan 8.150 nan 0.000 0.446 200 K N -0.904 119.551 120.400 0.093 0.000 2.097 200 K HA -0.097 4.105 4.320 -0.198 0.000 0.205 200 K C 1.866 178.528 176.600 0.103 0.000 1.050 200 K CA 1.384 57.711 56.287 0.067 0.000 0.938 200 K CB -0.227 32.283 32.500 0.017 0.000 0.718 200 K HN 0.385 nan 8.250 nan 0.000 0.442 201 L N 1.699 123.024 121.223 0.170 0.000 2.072 201 L HA -0.113 4.108 4.340 -0.198 0.000 0.205 201 L C 1.882 178.860 176.870 0.180 0.000 1.079 201 L CA 1.732 56.672 54.840 0.166 0.000 0.752 201 L CB -0.858 41.324 42.059 0.205 0.000 0.906 201 L HN 0.285 nan 8.230 nan 0.000 0.436 202 N N -0.786 118.088 118.700 0.290 0.000 2.166 202 N HA -0.272 4.349 4.740 -0.198 0.000 0.186 202 N C 1.876 177.438 175.510 0.088 0.000 1.019 202 N CA 1.333 54.487 53.050 0.173 0.000 0.856 202 N CB 0.043 38.535 38.487 0.008 0.000 0.993 202 N HN 0.453 nan 8.380 nan 0.000 0.426 203 Q N 1.435 121.291 119.800 0.093 0.000 2.119 203 Q HA -0.120 4.101 4.340 -0.198 0.000 0.201 203 Q C 1.819 177.851 176.000 0.052 0.000 0.972 203 Q CA 1.515 57.354 55.803 0.060 0.000 0.847 203 Q CB -0.233 28.535 28.738 0.050 0.000 0.903 203 Q HN 0.568 nan 8.270 nan 0.000 0.433 204 E N -0.607 119.624 120.200 0.052 0.000 2.072 204 E HA -0.175 4.056 4.350 -0.198 0.000 0.191 204 E C 1.702 178.317 176.600 0.025 0.000 0.985 204 E CA 1.055 57.474 56.400 0.032 0.000 0.801 204 E CB -0.215 29.500 29.700 0.025 0.000 0.750 204 E HN 0.433 nan 8.360 nan 0.000 0.452 205 L N 0.756 121.999 121.223 0.033 0.000 2.156 205 L HA -0.098 4.123 4.340 -0.198 0.000 0.208 205 L C 2.573 179.481 176.870 0.062 0.000 1.095 205 L CA 0.752 55.605 54.840 0.023 0.000 0.770 205 L CB -0.284 41.787 42.059 0.019 0.000 0.914 205 L HN 0.169 nan 8.230 nan 0.000 0.439 206 E N 0.221 120.481 120.200 0.099 0.000 2.072 206 E HA -0.143 4.088 4.350 -0.198 0.000 0.191 206 E C 2.187 178.897 176.600 0.184 0.000 0.985 206 E CA 1.365 57.880 56.400 0.191 0.000 0.801 206 E CB -0.245 29.521 29.700 0.110 0.000 0.750 206 E HN 0.506 nan 8.360 nan 0.000 0.452 207 G N 1.363 110.218 108.800 0.092 0.000 2.422 207 G HA2 -0.241 3.600 3.960 -0.198 0.000 0.218 207 G HA3 -0.241 3.600 3.960 -0.198 0.000 0.218 207 G C 1.662 176.581 174.900 0.032 0.000 1.140 207 G CA 0.599 45.737 45.100 0.064 0.000 0.775 207 G HN 0.185 nan 8.290 nan 0.000 0.545 208 K N -0.086 120.316 120.400 0.004 0.000 1.984 208 K HA -0.008 4.193 4.320 -0.198 0.000 0.209 208 K C 2.608 179.163 176.600 -0.075 0.000 1.046 208 K CA 1.170 57.429 56.287 -0.046 0.000 0.934 208 K CB -0.427 32.032 32.500 -0.068 0.000 0.717 208 K HN 0.138 nan 8.250 nan 0.000 0.438 209 V N 1.469 121.327 119.914 -0.092 0.000 2.324 209 V HA -0.314 3.687 4.120 -0.198 0.000 0.250 209 V C 2.307 178.278 176.094 -0.206 0.000 1.060 209 V CA 2.148 64.319 62.300 -0.216 0.000 1.042 209 V CB -0.799 30.786 31.823 -0.397 0.000 0.650 209 V HN 0.418 nan 8.190 nan 0.000 0.450 210 A N -0.253 122.537 122.820 -0.050 0.000 1.902 210 A HA -0.234 3.967 4.320 -0.198 0.000 0.217 210 A C 2.012 179.615 177.584 0.033 0.000 1.181 210 A CA 1.954 54.028 52.037 0.062 0.000 0.623 210 A CB -0.588 18.524 19.000 0.186 0.000 0.818 210 A HN 0.536 nan 8.150 nan 0.000 0.443 211 D N -0.119 120.290 120.400 0.015 0.000 2.117 211 D HA -0.071 4.450 4.640 -0.198 0.000 0.197 211 D C 2.296 178.621 176.300 0.042 0.000 0.987 211 D CA 1.579 55.589 54.000 0.016 0.000 0.829 211 D CB -0.357 40.436 40.800 -0.011 0.000 0.961 211 D HN 0.369 nan 8.370 nan 0.000 0.460 212 S N 0.249 115.951 115.700 0.004 0.000 2.368 212 S HA -0.041 4.310 4.470 -0.198 0.000 0.225 212 S C 2.158 176.973 174.600 0.357 0.000 1.030 212 S CA 0.461 58.719 58.200 0.098 0.000 0.999 212 S CB -0.141 62.983 63.200 -0.126 0.000 0.844 212 S HN 0.241 nan 8.310 nan 0.000 0.459 213 L N 1.581 122.878 121.223 0.123 0.000 2.156 213 L HA -0.048 4.173 4.340 -0.198 0.000 0.208 213 L C 2.389 179.288 176.870 0.049 0.000 1.095 213 L CA 1.269 56.147 54.840 0.064 0.000 0.770 213 L CB -0.466 41.566 42.059 -0.045 0.000 0.914 213 L HN 0.412 nan 8.230 nan 0.000 0.439 214 S N -2.307 113.429 115.700 0.061 0.000 2.575 214 S HA -0.017 4.334 4.470 -0.198 0.000 0.215 214 S C 1.668 176.284 174.600 0.027 0.000 0.966 214 S CA 0.380 58.599 58.200 0.032 0.000 0.911 214 S CB 0.131 63.351 63.200 0.033 0.000 0.780 214 S HN 0.436 nan 8.310 nan 0.000 0.514 215 S N 0.276 116.030 115.700 0.091 0.000 2.520 215 S HA 0.371 4.722 4.470 -0.198 0.000 0.219 215 S C 0.393 174.968 174.600 -0.041 0.000 1.028 215 S CA -0.570 57.679 58.200 0.082 0.000 0.921 215 S CB -0.581 62.734 63.200 0.191 0.000 0.844 215 S HN 0.522 nan 8.310 nan 0.000 0.495 216 I N 3.267 123.759 120.570 -0.131 0.000 2.683 216 I HA 0.092 4.143 4.170 -0.198 0.000 0.286 216 I C -0.100 175.692 176.117 -0.542 0.000 1.175 216 I CA 0.097 60.949 61.300 -0.747 0.000 1.429 216 I CB 0.848 38.411 38.000 -0.728 0.000 1.371 216 I HN 0.184 nan 8.210 nan 0.000 0.569 217 S N 4.742 120.055 115.700 -0.645 0.000 2.562 217 S HA 0.271 4.622 4.470 -0.198 0.000 0.281 217 S C -0.166 174.203 174.600 -0.386 0.000 1.333 217 S CA -0.514 57.419 58.200 -0.445 0.000 1.052 217 S CB 0.748 63.683 63.200 -0.442 0.000 0.884 217 S HN 0.724 nan 8.310 nan 0.000 0.506 218 S N 2.159 117.707 115.700 -0.253 0.000 2.775 218 S HA 0.574 4.925 4.470 -0.198 0.000 0.306 218 S C -1.231 173.283 174.600 -0.144 0.000 1.153 218 S CA -1.042 57.031 58.200 -0.211 0.000 0.867 218 S CB 0.988 64.088 63.200 -0.167 0.000 1.198 218 S HN 0.718 nan 8.310 nan 0.000 0.523 219 Q N -0.168 119.562 119.800 -0.116 0.000 3.217 219 Q HA -0.155 4.066 4.340 -0.198 0.000 0.027 219 Q C -0.065 175.899 176.000 -0.059 0.000 1.700 219 Q CA 0.730 56.489 55.803 -0.073 0.000 0.247 219 Q CB -0.754 27.952 28.738 -0.053 0.000 0.584 219 Q HN 1.990 nan 8.270 nan 0.000 0.322 220 A N 3.247 126.047 122.820 -0.033 0.000 1.867 220 A HA -0.182 4.019 4.320 -0.198 0.000 0.248 220 A C -0.303 177.278 177.584 -0.004 0.000 1.313 220 A CA 1.117 53.150 52.037 -0.006 0.000 0.732 220 A CB -0.914 18.086 19.000 0.001 0.000 1.196 220 A HN 0.698 nan 8.150 nan 0.000 0.275 221 D N -0.125 120.280 120.400 0.009 0.000 7.011 221 D HA -0.028 4.493 4.640 -0.198 0.000 0.125 221 D C 1.056 177.378 176.300 0.036 0.000 1.093 221 D CA 1.932 55.958 54.000 0.043 0.000 0.765 221 D CB 0.286 41.204 40.800 0.196 0.000 1.507 221 D HN 0.853 nan 8.370 nan 0.000 0.865 222 R N 2.613 123.060 120.500 -0.087 0.000 2.584 222 R HA 0.508 4.729 4.340 -0.198 0.000 0.253 222 R C 1.512 177.867 176.300 0.092 0.000 1.251 222 R CA -0.562 55.522 56.100 -0.027 0.000 1.129 222 R CB -0.145 30.132 30.300 -0.039 0.000 1.239 222 R HN 0.592 nan 8.270 nan 0.000 0.595 223 I N -2.666 117.904 120.570 0.000 0.000 3.956 223 I HA 0.330 4.381 4.170 -0.198 0.000 0.333 223 I C -0.608 175.581 176.117 0.120 0.000 1.302 223 I CA -0.082 61.213 61.300 -0.010 0.000 1.122 223 I CB 0.032 37.869 38.000 -0.270 0.000 1.013 223 I HN 0.554 nan 8.210 nan 0.000 0.405 224 Y N -2.291 117.995 120.300 -0.023 0.000 2.565 224 Y HA 0.449 4.880 4.550 -0.199 0.000 0.330 224 Y C -0.296 175.366 175.900 -0.397 0.000 1.150 224 Y CA -1.404 56.663 58.100 -0.055 0.000 1.055 224 Y CB 0.778 39.261 38.460 0.038 0.000 1.337 224 Y HN -0.210 nan 8.280 nan 0.000 0.457 225 L N 0.613 121.675 121.223 -0.269 0.000 2.068 225 L HA 0.072 4.293 4.340 -0.198 0.000 0.204 225 L C -0.035 176.368 176.870 -0.779 0.000 1.076 225 L CA 1.215 55.646 54.840 -0.681 0.000 0.753 225 L CB 0.224 41.955 42.059 -0.546 0.000 0.910 225 L HN 0.581 nan 8.230 nan 0.000 0.439 226 W N 0.079 121.278 121.300 -0.167 0.000 2.715 226 W HA 0.198 4.736 4.660 -0.203 0.000 0.331 226 W C 0.956 177.291 176.519 -0.306 0.000 1.031 226 W CA -0.726 56.496 57.345 -0.205 0.000 1.237 226 W CB 1.355 30.846 29.460 0.052 0.000 1.378 226 W HN 0.030 nan 8.180 nan 0.000 0.454 227 E N 1.861 121.813 120.200 -0.413 0.000 2.187 227 E HA -0.231 4.000 4.350 -0.198 0.000 0.199 227 E C 1.339 177.862 176.600 -0.130 0.000 1.004 227 E CA 1.572 57.745 56.400 -0.379 0.000 0.813 227 E CB 0.416 29.906 29.700 -0.349 0.000 0.736 227 E HN 0.398 nan 8.360 nan 0.000 0.468 228 K N -0.992 119.234 120.400 -0.289 0.000 2.217 228 K HA -0.086 4.115 4.320 -0.198 0.000 0.202 228 K C 0.378 176.524 176.600 -0.758 0.000 1.051 228 K CA 0.752 56.663 56.287 -0.625 0.000 0.952 228 K CB 0.111 31.986 32.500 -1.042 0.000 0.736 228 K HN 0.014 nan 8.250 nan 0.000 0.453 229 F N -0.471 119.559 119.950 0.133 0.000 2.679 229 F HA 0.213 4.621 4.527 -0.198 0.000 0.354 229 F C 0.932 176.868 175.800 0.227 0.000 1.423 229 F CA -0.717 57.372 58.000 0.148 0.000 1.141 229 F CB 0.329 39.396 39.000 0.112 0.000 1.168 229 F HN -0.124 nan 8.300 nan 0.000 0.530 230 S N -1.065 114.841 115.700 0.343 0.000 2.356 230 S HA -0.076 4.275 4.470 -0.198 0.000 0.219 230 S C 1.045 175.878 174.600 0.388 0.000 1.036 230 S CA 0.218 58.679 58.200 0.436 0.000 0.965 230 S CB -0.404 63.137 63.200 0.568 0.000 0.864 230 S HN 0.364 nan 8.310 nan 0.000 0.471 231 N N 2.475 121.353 118.700 0.297 0.000 2.383 231 N HA -0.074 4.547 4.740 -0.198 0.000 0.295 231 N C 0.230 175.907 175.510 0.278 0.000 1.281 231 N CA -0.231 52.968 53.050 0.249 0.000 1.048 231 N CB -0.479 38.098 38.487 0.150 0.000 1.455 231 N HN 0.648 nan 8.380 nan 0.000 0.488 232 Y N 1.525 121.933 120.300 0.180 0.000 2.584 232 Y HA 0.163 4.594 4.550 -0.197 0.000 0.317 232 Y C 1.075 177.081 175.900 0.177 0.000 1.208 232 Y CA 0.319 58.531 58.100 0.186 0.000 1.299 232 Y CB -0.181 38.396 38.460 0.194 0.000 1.047 232 Y HN 0.276 nan 8.280 nan 0.000 0.506 233 K N 0.003 120.309 120.400 -0.157 0.000 2.356 233 K HA 0.128 4.329 4.320 -0.198 0.000 0.195 233 K C -0.015 176.604 176.600 0.030 0.000 1.037 233 K CA 0.507 56.705 56.287 -0.149 0.000 1.014 233 K CB 0.320 32.708 32.500 -0.187 0.000 0.815 233 K HN 0.168 nan 8.250 nan 0.000 0.507 234 T N 1.459 116.060 114.554 0.079 0.000 2.794 234 T HA 0.027 4.258 4.350 -0.198 0.000 0.304 234 T C 1.087 175.865 174.700 0.131 0.000 0.973 234 T CA -0.347 61.816 62.100 0.105 0.000 0.972 234 T CB 1.369 70.304 68.868 0.111 0.000 0.952 234 T HN 0.143 nan 8.240 nan 0.000 0.509 235 S N 3.073 118.861 115.700 0.146 0.000 2.407 235 S HA -0.234 4.118 4.470 -0.198 0.000 0.235 235 S C 2.434 177.066 174.600 0.054 0.000 1.036 235 S CA 0.854 59.127 58.200 0.122 0.000 1.013 235 S CB -0.558 62.768 63.200 0.210 0.000 0.820 235 S HN 0.781 nan 8.310 nan 0.000 0.476 236 A N 3.254 126.117 122.820 0.071 0.000 1.873 236 A HA -0.229 3.972 4.320 -0.198 0.000 0.218 236 A C 2.051 179.660 177.584 0.042 0.000 1.193 236 A CA 1.885 53.952 52.037 0.049 0.000 0.629 236 A CB -1.353 17.681 19.000 0.058 0.000 0.826 236 A HN 0.757 nan 8.150 nan 0.000 0.447 237 N N -0.217 118.556 118.700 0.123 0.000 2.430 237 N HA -0.102 4.519 4.740 -0.198 0.000 0.186 237 N C 1.477 177.032 175.510 0.076 0.000 1.032 237 N CA 0.541 53.698 53.050 0.179 0.000 0.893 237 N CB -0.114 38.562 38.487 0.316 0.000 0.957 237 N HN 0.310 nan 8.380 nan 0.000 0.442 238 L N 0.911 122.159 121.223 0.042 0.000 2.007 238 L HA -0.107 4.114 4.340 -0.198 0.000 0.205 238 L C 2.813 179.690 176.870 0.011 0.000 1.073 238 L CA 1.899 56.749 54.840 0.017 0.000 0.744 238 L CB -1.524 40.466 42.059 -0.114 0.000 0.898 238 L HN 0.297 nan 8.230 nan 0.000 0.435 239 T N -2.531 111.988 114.554 -0.058 0.000 3.023 239 T HA -0.001 4.230 4.350 -0.198 0.000 0.266 239 T C 1.815 176.435 174.700 -0.134 0.000 1.093 239 T CA 0.899 62.963 62.100 -0.060 0.000 1.129 239 T CB -0.096 68.736 68.868 -0.061 0.000 0.899 239 T HN 0.253 nan 8.240 nan 0.000 0.491 240 A N 0.973 123.633 122.820 -0.267 0.000 2.014 240 A HA 0.076 4.277 4.320 -0.198 0.000 0.218 240 A C 2.535 179.717 177.584 -0.671 0.000 1.163 240 A CA 1.783 53.481 52.037 -0.565 0.000 0.652 240 A CB -1.171 17.262 19.000 -0.946 0.000 0.808 240 A HN 0.544 nan 8.150 nan 0.000 0.449 241 T N -1.615 112.677 114.554 -0.435 0.000 2.809 241 T HA -0.058 4.173 4.350 -0.198 0.000 0.260 241 T C 1.650 176.205 174.700 -0.240 0.000 1.039 241 T CA 1.400 63.328 62.100 -0.287 0.000 1.141 241 T CB -0.368 68.462 68.868 -0.064 0.000 0.869 241 T HN 0.525 nan 8.240 nan 0.000 0.437 242 Y N 1.277 121.490 120.300 -0.144 0.000 2.352 242 Y HA 0.068 4.497 4.550 -0.202 0.000 0.292 242 Y C 2.570 178.378 175.900 -0.152 0.000 1.136 242 Y CA 0.684 58.711 58.100 -0.122 0.000 1.227 242 Y CB -0.149 38.211 38.460 -0.166 0.000 0.991 242 Y HN 0.022 nan 8.280 nan 0.000 0.545 243 R N 0.023 120.480 120.500 -0.072 0.000 2.115 243 R HA -0.096 4.125 4.340 -0.198 0.000 0.226 243 R C 2.087 178.277 176.300 -0.183 0.000 1.100 243 R CA 0.979 57.005 56.100 -0.124 0.000 0.980 243 R CB -0.017 30.180 30.300 -0.172 0.000 0.875 243 R HN 0.220 nan 8.270 nan 0.000 0.445 244 K N 0.238 120.456 120.400 -0.303 0.000 2.148 244 K HA -0.079 4.122 4.320 -0.198 0.000 0.204 244 K C 1.844 178.318 176.600 -0.211 0.000 1.050 244 K CA 0.949 56.995 56.287 -0.401 0.000 0.942 244 K CB 0.061 32.031 32.500 -0.883 0.000 0.724 244 K HN 0.222 nan 8.250 nan 0.000 0.446 245 L N 0.393 121.564 121.223 -0.087 0.000 2.240 245 L HA -0.079 4.142 4.340 -0.198 0.000 0.211 245 L C 2.450 179.326 176.870 0.010 0.000 1.106 245 L CA 0.788 55.640 54.840 0.019 0.000 0.793 245 L CB -0.241 41.871 42.059 0.088 0.000 0.927 245 L HN 0.250 nan 8.230 nan 0.000 0.446 246 E N 0.743 120.939 120.200 -0.007 0.000 2.106 246 E HA -0.221 4.010 4.350 -0.198 0.000 0.192 246 E C 1.864 178.447 176.600 -0.027 0.000 0.984 246 E CA 1.037 57.436 56.400 -0.002 0.000 0.806 246 E CB 0.184 29.877 29.700 -0.013 0.000 0.750 246 E HN 0.496 nan 8.360 nan 0.000 0.458 247 E N 0.058 120.218 120.200 -0.066 0.000 2.077 247 E HA -0.193 4.038 4.350 -0.198 0.000 0.193 247 E C 2.129 178.692 176.600 -0.062 0.000 0.989 247 E CA 1.277 57.631 56.400 -0.076 0.000 0.800 247 E CB -0.063 29.568 29.700 -0.115 0.000 0.746 247 E HN 0.347 nan 8.360 nan 0.000 0.452 248 M N 0.148 119.706 119.600 -0.071 0.000 2.229 248 M HA -0.114 4.247 4.480 -0.198 0.000 0.264 248 M C 2.387 178.669 176.300 -0.031 0.000 1.063 248 M CA 1.154 56.406 55.300 -0.080 0.000 1.114 248 M CB -0.072 32.483 32.600 -0.075 0.000 1.387 248 M HN 0.125 nan 8.290 nan 0.000 0.420 249 A N 0.391 123.213 122.820 0.004 0.000 1.969 249 A HA -0.138 4.063 4.320 -0.198 0.000 0.218 249 A C 2.082 179.702 177.584 0.060 0.000 1.169 249 A CA 1.450 53.515 52.037 0.046 0.000 0.635 249 A CB -0.352 18.695 19.000 0.079 0.000 0.810 249 A HN 0.392 nan 8.150 nan 0.000 0.445 250 K N -0.705 119.717 120.400 0.036 0.000 2.001 250 K HA -0.119 4.082 4.320 -0.198 0.000 0.208 250 K C 2.293 178.940 176.600 0.078 0.000 1.048 250 K CA 1.401 57.713 56.287 0.043 0.000 0.932 250 K CB -0.152 32.345 32.500 -0.005 0.000 0.715 250 K HN 0.332 nan 8.250 nan 0.000 0.437 251 Q N 0.479 120.321 119.800 0.071 0.000 2.119 251 Q HA -0.091 4.130 4.340 -0.198 0.000 0.201 251 Q C 2.169 178.276 176.000 0.178 0.000 0.972 251 Q CA 0.879 56.758 55.803 0.126 0.000 0.847 251 Q CB -0.459 28.379 28.738 0.166 0.000 0.903 251 Q HN 0.115 nan 8.270 nan 0.000 0.433 252 V N 1.637 121.625 119.914 0.123 0.000 2.913 252 V HA -0.136 3.865 4.120 -0.198 0.000 0.260 252 V C 1.514 177.716 176.094 0.179 0.000 1.098 252 V CA 2.048 64.406 62.300 0.096 0.000 1.121 252 V CB -0.328 31.461 31.823 -0.056 0.000 0.714 252 V HN 0.545 nan 8.190 nan 0.000 0.487 253 T N -3.269 111.426 114.554 0.235 0.000 3.174 253 T HA 0.176 4.407 4.350 -0.198 0.000 0.269 253 T C 0.430 175.325 174.700 0.326 0.000 1.017 253 T CA -0.177 62.115 62.100 0.319 0.000 0.899 253 T CB -0.664 68.345 68.868 0.236 0.000 1.077 253 T HN 0.488 nan 8.240 nan 0.000 0.552 254 N N 1.821 120.693 118.700 0.287 0.000 2.546 254 N HA 0.279 4.900 4.740 -0.198 0.000 0.238 254 N C -2.203 173.198 175.510 -0.181 0.000 0.984 254 N CA -2.393 50.687 53.050 0.049 0.000 0.935 254 N CB 1.720 40.201 38.487 -0.009 0.000 1.122 254 N HN -0.139 nan 8.380 nan 0.000 0.510 255 P HA -0.107 nan 4.420 nan 0.000 0.219 255 P C 0.395 177.362 177.300 -0.554 0.000 1.144 255 P CA 1.156 63.511 63.100 -1.243 0.000 0.806 255 P CB 0.317 31.545 31.700 -0.786 0.000 0.771 256 S N -1.945 113.575 115.700 -0.301 0.000 2.575 256 S HA 0.085 4.436 4.470 -0.198 0.000 0.215 256 S C 0.900 175.410 174.600 -0.151 0.000 0.966 256 S CA -0.135 57.967 58.200 -0.164 0.000 0.911 256 S CB -0.313 62.866 63.200 -0.035 0.000 0.780 256 S HN 0.124 nan 8.310 nan 0.000 0.514 257 S N 1.697 117.322 115.700 -0.124 0.000 2.586 257 S HA 0.211 4.562 4.470 -0.198 0.000 0.274 257 S C 1.222 175.789 174.600 -0.054 0.000 1.281 257 S CA -0.817 57.350 58.200 -0.055 0.000 1.035 257 S CB 0.722 63.959 63.200 0.061 0.000 0.962 257 S HN 0.530 nan 8.310 nan 0.000 0.512 258 R N 2.324 122.697 120.500 -0.212 0.000 2.316 258 R HA 0.013 4.234 4.340 -0.198 0.000 0.202 258 R C -0.033 176.028 176.300 -0.400 0.000 1.029 258 R CA 1.353 57.253 56.100 -0.333 0.000 1.018 258 R CB -0.373 29.628 30.300 -0.499 0.000 0.888 258 R HN 0.694 nan 8.270 nan 0.000 0.471 259 Y N -0.964 119.367 120.300 0.052 0.000 2.507 259 Y HA 0.173 4.602 4.550 -0.202 0.000 0.254 259 Y C -0.198 175.744 175.900 0.070 0.000 1.171 259 Y CA -1.704 56.419 58.100 0.038 0.000 1.238 259 Y CB -0.227 38.242 38.460 0.014 0.000 1.148 259 Y HN 0.004 nan 8.280 nan 0.000 0.525 260 Y N 2.892 123.231 120.300 0.065 0.000 2.729 260 Y HA -0.043 4.398 4.550 -0.182 0.000 0.331 260 Y C 1.019 176.952 175.900 0.056 0.000 1.208 260 Y CA 0.040 58.172 58.100 0.054 0.000 1.521 260 Y CB -0.080 38.395 38.460 0.025 0.000 1.233 260 Y HN 0.407 nan 8.280 nan 0.000 0.539 261 Q N 1.928 121.503 119.800 -0.375 0.000 2.461 261 Q HA -0.338 3.883 4.340 -0.198 0.000 0.264 261 Q C -0.517 175.391 176.000 -0.153 0.000 1.085 261 Q CA 1.162 56.769 55.803 -0.327 0.000 1.006 261 Q CB -1.034 27.407 28.738 -0.495 0.000 1.437 261 Q HN 0.742 nan 8.270 nan 0.000 0.514 262 D N 0.790 121.146 120.400 -0.073 0.000 2.401 262 D HA -0.013 4.508 4.640 -0.198 0.000 0.254 262 D C 1.168 177.427 176.300 -0.068 0.000 1.192 262 D CA 0.597 54.587 54.000 -0.016 0.000 0.885 262 D CB 0.854 41.712 40.800 0.097 0.000 1.147 262 D HN 0.381 nan 8.370 nan 0.000 0.478 263 E N 1.924 122.092 120.200 -0.053 0.000 2.097 263 E HA -0.241 3.990 4.350 -0.198 0.000 0.196 263 E C 1.359 177.917 176.600 -0.070 0.000 1.000 263 E CA 1.709 58.071 56.400 -0.064 0.000 0.804 263 E CB -0.379 29.300 29.700 -0.035 0.000 0.740 263 E HN 0.393 nan 8.360 nan 0.000 0.454 264 T N 0.326 114.855 114.554 -0.043 0.000 2.737 264 T HA -0.073 4.158 4.350 -0.198 0.000 0.265 264 T C 1.959 176.617 174.700 -0.070 0.000 1.038 264 T CA 1.364 63.437 62.100 -0.045 0.000 1.144 264 T CB -0.230 68.628 68.868 -0.016 0.000 0.866 264 T HN 0.061 nan 8.240 nan 0.000 0.434 265 V N 1.229 121.101 119.914 -0.070 0.000 2.515 265 V HA -0.103 3.898 4.120 -0.198 0.000 0.250 265 V C 2.578 178.580 176.094 -0.155 0.000 1.058 265 V CA 1.077 63.313 62.300 -0.108 0.000 1.064 265 V CB -0.558 31.205 31.823 -0.100 0.000 0.675 265 V HN 0.306 nan 8.190 nan 0.000 0.461 266 V N -0.016 119.770 119.914 -0.214 0.000 2.358 266 V HA -0.223 3.778 4.120 -0.198 0.000 0.246 266 V C 2.533 178.487 176.094 -0.233 0.000 1.047 266 V CA 2.338 64.435 62.300 -0.339 0.000 1.035 266 V CB -0.670 30.873 31.823 -0.467 0.000 0.658 266 V HN 0.486 nan 8.190 nan 0.000 0.452 267 R N -0.308 120.100 120.500 -0.155 0.000 2.092 267 R HA -0.138 4.083 4.340 -0.198 0.000 0.231 267 R C 2.363 178.616 176.300 -0.077 0.000 1.119 267 R CA 1.888 57.926 56.100 -0.103 0.000 0.970 267 R CB -0.444 29.812 30.300 -0.074 0.000 0.864 267 R HN 0.480 nan 8.270 nan 0.000 0.440 268 T N 0.190 114.695 114.554 -0.082 0.000 2.720 268 T HA -0.114 4.117 4.350 -0.198 0.000 0.268 268 T C 1.720 176.401 174.700 -0.032 0.000 1.037 268 T CA 1.547 63.605 62.100 -0.071 0.000 1.144 268 T CB -0.092 68.733 68.868 -0.072 0.000 0.864 268 T HN 0.038 nan 8.240 nan 0.000 0.444 269 V N 1.156 121.056 119.914 -0.025 0.000 2.307 269 V HA -0.128 3.873 4.120 -0.198 0.000 0.245 269 V C 2.589 178.752 176.094 0.115 0.000 1.045 269 V CA 1.593 63.922 62.300 0.048 0.000 1.024 269 V CB -0.502 31.349 31.823 0.047 0.000 0.651 269 V HN 0.359 nan 8.190 nan 0.000 0.449 270 R N -0.185 120.339 120.500 0.039 0.000 2.096 270 R HA -0.162 4.059 4.340 -0.198 0.000 0.235 270 R C 2.030 178.414 176.300 0.141 0.000 1.127 270 R CA 1.745 57.899 56.100 0.090 0.000 0.968 270 R CB -0.338 29.881 30.300 -0.134 0.000 0.861 270 R HN 0.511 nan 8.270 nan 0.000 0.440 271 D N -0.292 120.152 120.400 0.073 0.000 2.103 271 D HA -0.043 4.478 4.640 -0.198 0.000 0.199 271 D C 1.900 178.272 176.300 0.121 0.000 0.978 271 D CA 1.202 55.255 54.000 0.090 0.000 0.829 271 D CB -0.162 40.646 40.800 0.013 0.000 0.981 271 D HN -0.043 nan 8.370 nan 0.000 0.464 272 S N 0.100 115.833 115.700 0.055 0.000 2.400 272 S HA -0.138 4.213 4.470 -0.198 0.000 0.232 272 S C 1.869 176.549 174.600 0.134 0.000 1.025 272 S CA 0.774 59.006 58.200 0.054 0.000 0.993 272 S CB -0.064 63.135 63.200 -0.003 0.000 0.808 272 S HN 0.216 nan 8.310 nan 0.000 0.478 273 M N 0.990 120.648 119.600 0.097 0.000 2.077 273 M HA -0.023 4.338 4.480 -0.198 0.000 0.261 273 M C 2.297 178.707 176.300 0.183 0.000 1.070 273 M CA 1.442 56.737 55.300 -0.008 0.000 1.125 273 M CB -1.388 30.962 32.600 -0.416 0.000 1.339 273 M HN 0.227 nan 8.290 nan 0.000 0.409 274 E N -0.617 119.767 120.200 0.306 0.000 2.077 274 E HA -0.236 3.995 4.350 -0.198 0.000 0.193 274 E C 1.916 178.806 176.600 0.482 0.000 0.989 274 E CA 1.736 58.447 56.400 0.518 0.000 0.800 274 E CB -0.469 29.486 29.700 0.426 0.000 0.746 274 E HN 0.472 nan 8.360 nan 0.000 0.452 275 W N 0.106 121.520 121.300 0.190 0.000 2.354 275 W HA -0.164 4.375 4.660 -0.202 0.000 0.315 275 W C 2.020 178.636 176.519 0.160 0.000 1.206 275 W CA 1.936 59.345 57.345 0.106 0.000 1.290 275 W CB -0.223 29.200 29.460 -0.061 0.000 1.152 275 W HN 0.072 nan 8.180 nan 0.000 0.489 276 M N -0.416 119.431 119.600 0.412 0.000 2.149 276 M HA -0.241 4.120 4.480 -0.198 0.000 0.261 276 M C 2.115 178.587 176.300 0.287 0.000 1.064 276 M CA 2.373 57.839 55.300 0.277 0.000 1.102 276 M CB -1.979 30.736 32.600 0.191 0.000 1.369 276 M HN 0.330 nan 8.290 nan 0.000 0.408 277 H N 0.571 119.831 119.070 0.316 0.000 2.387 277 H HA -0.060 4.380 4.556 -0.193 0.000 0.299 277 H C 1.891 177.320 175.328 0.167 0.000 1.090 277 H CA 1.811 58.057 56.048 0.331 0.000 1.332 277 H CB 0.126 30.166 29.762 0.463 0.000 1.386 277 H HN 0.230 nan 8.280 nan 0.000 0.516 278 K N -0.677 119.662 120.400 -0.102 0.000 2.167 278 K HA -0.047 4.154 4.320 -0.198 0.000 0.203 278 K C 1.183 177.551 176.600 -0.386 0.000 1.052 278 K CA 1.242 57.363 56.287 -0.278 0.000 0.956 278 K CB 0.117 32.610 32.500 -0.012 0.000 0.735 278 K HN 0.677 nan 8.250 nan 0.000 0.451 279 H N -1.292 117.482 119.070 -0.492 0.000 2.986 279 H HA 0.132 4.568 4.556 -0.199 0.000 0.267 279 H C 1.286 176.372 175.328 -0.404 0.000 1.072 279 H CA 0.153 55.866 56.048 -0.559 0.000 1.202 279 H CB 1.086 30.244 29.762 -1.005 0.000 1.535 279 H HN -0.083 nan 8.280 nan 0.000 0.522 280 V N -1.137 118.732 119.914 -0.075 0.000 3.161 280 V HA 0.042 4.043 4.120 -0.198 0.000 0.228 280 V C -0.631 175.663 176.094 0.332 0.000 1.415 280 V CA 0.030 62.399 62.300 0.115 0.000 1.285 280 V CB 0.809 32.718 31.823 0.144 0.000 1.100 280 V HN 0.119 nan 8.190 nan 0.000 0.478 281 Y N 4.522 124.945 120.300 0.205 0.000 2.402 281 Y HA 0.632 5.062 4.550 -0.200 0.000 0.325 281 Y C -0.413 175.657 175.900 0.283 0.000 1.009 281 Y CA -0.998 57.275 58.100 0.289 0.000 1.278 281 Y CB 0.705 39.353 38.460 0.312 0.000 1.105 281 Y HN 0.455 nan 8.280 nan 0.000 0.476 282 N N 1.341 120.065 118.700 0.040 0.000 2.853 282 N HA 0.163 4.784 4.740 -0.198 0.000 0.258 282 N C -0.243 175.208 175.510 -0.098 0.000 1.444 282 N CA -0.750 52.300 53.050 -0.001 0.000 0.837 282 N CB 1.576 40.002 38.487 -0.101 0.000 1.489 282 N HN 0.258 nan 8.380 nan 0.000 0.529 283 S N -0.019 115.610 115.700 -0.119 0.000 2.419 283 S HA -0.116 4.235 4.470 -0.198 0.000 0.233 283 S C 0.988 175.454 174.600 -0.223 0.000 1.016 283 S CA 1.248 59.309 58.200 -0.231 0.000 0.974 283 S CB -0.328 62.780 63.200 -0.153 0.000 0.786 283 S HN 0.550 nan 8.310 nan 0.000 0.492 284 E N 0.410 120.532 120.200 -0.130 0.000 2.502 284 E HA 0.070 4.301 4.350 -0.198 0.000 0.194 284 E C 0.372 176.944 176.600 -0.047 0.000 1.062 284 E CA 0.364 56.706 56.400 -0.095 0.000 0.867 284 E CB 0.292 29.946 29.700 -0.077 0.000 0.888 284 E HN 0.292 nan 8.360 nan 0.000 0.510 285 K N 0.647 121.047 120.400 -0.000 0.000 2.109 285 K HA 0.429 4.630 4.320 -0.198 0.000 0.243 285 K C -0.083 176.639 176.600 0.204 0.000 1.006 285 K CA -0.360 56.016 56.287 0.147 0.000 0.917 285 K CB 1.765 34.444 32.500 0.298 0.000 1.081 285 K HN -0.168 nan 8.250 nan 0.000 0.468 286 S N 0.333 116.161 115.700 0.213 0.000 2.568 286 S HA 0.423 4.774 4.470 -0.198 0.000 0.293 286 S C -0.075 174.468 174.600 -0.095 0.000 1.089 286 S CA -0.784 57.509 58.200 0.156 0.000 0.945 286 S CB 1.017 64.250 63.200 0.054 0.000 1.077 286 S HN 0.395 nan 8.310 nan 0.000 0.485 287 I N 2.540 122.934 120.570 -0.293 0.000 2.845 287 I HA -0.016 4.035 4.170 -0.198 0.000 0.290 287 I C -0.632 175.212 176.117 -0.454 0.000 1.202 287 I CA 0.384 61.130 61.300 -0.924 0.000 1.406 287 I CB -0.032 37.712 38.000 -0.426 0.000 1.383 287 I HN 0.150 nan 8.210 nan 0.000 0.549 288 V N 7.306 126.990 119.914 -0.384 0.000 2.325 288 V HA 0.733 4.734 4.120 -0.198 0.000 0.280 288 V C 0.613 176.815 176.094 0.181 0.000 1.016 288 V CA 0.318 62.634 62.300 0.027 0.000 0.818 288 V CB 0.368 32.270 31.823 0.131 0.000 1.019 288 V HN 1.178 nan 8.190 nan 0.000 0.434 289 G N 5.076 113.948 108.800 0.120 0.000 2.516 289 G HA2 -0.209 3.632 3.960 -0.198 0.000 0.220 289 G HA3 -0.209 3.632 3.960 -0.198 0.000 0.220 289 G C -0.172 174.839 174.900 0.184 0.000 1.165 289 G CA 0.007 45.199 45.100 0.154 0.000 1.013 289 G HN 0.782 nan 8.290 nan 0.000 0.590 290 N N 1.507 120.325 118.700 0.197 0.000 2.497 290 N HA 0.247 4.868 4.740 -0.198 0.000 0.271 290 N C 1.776 177.430 175.510 0.241 0.000 1.142 290 N CA 0.170 53.327 53.050 0.179 0.000 0.965 290 N CB 0.224 38.750 38.487 0.065 0.000 1.077 290 N HN 0.715 nan 8.380 nan 0.000 0.462 291 W N 3.956 125.387 121.300 0.218 0.000 2.363 291 W HA -0.124 4.417 4.660 -0.198 0.000 0.296 291 W C 1.277 177.942 176.519 0.243 0.000 1.212 291 W CA 0.030 57.497 57.345 0.204 0.000 1.260 291 W CB -1.191 28.377 29.460 0.180 0.000 1.131 291 W HN 0.700 nan 8.180 nan 0.000 0.530 292 W N 3.164 123.612 121.300 -1.421 0.000 2.290 292 W HA -0.277 4.265 4.660 -0.197 0.000 0.318 292 W C 2.081 178.275 176.519 -0.541 0.000 1.248 292 W CA 2.977 59.480 57.345 -1.403 0.000 1.263 292 W CB -0.479 28.267 29.460 -1.191 0.000 1.147 292 W HN -0.142 nan 8.180 nan 0.000 0.494 293 D N -1.646 118.733 120.400 -0.036 0.000 2.178 293 D HA -0.204 4.317 4.640 -0.198 0.000 0.202 293 D C 1.752 177.904 176.300 -0.247 0.000 0.974 293 D CA 1.528 55.472 54.000 -0.094 0.000 0.841 293 D CB -0.685 40.100 40.800 -0.024 0.000 0.953 293 D HN 0.291 nan 8.370 nan 0.000 0.478 294 Y N 0.987 121.192 120.300 -0.158 0.000 2.395 294 Y HA 0.019 4.450 4.550 -0.197 0.000 0.293 294 Y C 2.042 177.892 175.900 -0.084 0.000 1.123 294 Y CA 0.766 58.766 58.100 -0.166 0.000 1.227 294 Y CB 0.329 38.504 38.460 -0.475 0.000 1.012 294 Y HN -0.011 nan 8.280 nan 0.000 0.552 295 E N -1.488 118.754 120.200 0.070 0.000 2.434 295 E HA 0.172 4.403 4.350 -0.198 0.000 0.207 295 E C 1.145 177.712 176.600 -0.056 0.000 0.929 295 E CA 0.341 56.846 56.400 0.174 0.000 1.001 295 E CB 0.568 30.577 29.700 0.515 0.000 1.016 295 E HN 0.386 nan 8.360 nan 0.000 0.502 296 I N -0.563 119.682 120.570 -0.542 0.000 3.674 296 I HA 0.143 4.194 4.170 -0.198 0.000 0.248 296 I C 2.291 177.873 176.117 -0.891 0.000 1.134 296 I CA 0.425 61.232 61.300 -0.821 0.000 1.519 296 I CB -0.494 36.593 38.000 -1.523 0.000 1.598 296 I HN 0.056 nan 8.210 nan 0.000 0.442 297 G N 1.103 109.077 108.800 -1.377 0.000 2.586 297 G HA2 -0.269 3.572 3.960 -0.198 0.000 0.218 297 G HA3 -0.269 3.572 3.960 -0.198 0.000 0.218 297 G C 1.578 176.250 174.900 -0.381 0.000 1.216 297 G CA 2.118 46.787 45.100 -0.718 0.000 0.786 297 G HN 0.269 nan 8.290 nan 0.000 0.583 298 T N 2.117 116.429 114.554 -0.403 0.000 2.737 298 T HA -0.041 4.190 4.350 -0.198 0.000 0.265 298 T C 0.220 174.614 174.700 -0.510 0.000 1.038 298 T CA 1.660 63.464 62.100 -0.493 0.000 1.144 298 T CB -0.864 67.547 68.868 -0.763 0.000 0.866 298 T HN 0.252 nan 8.240 nan 0.000 0.434 299 P HA -0.015 nan 4.420 nan 0.000 0.218 299 P C 1.435 178.627 177.300 -0.178 0.000 1.148 299 P CA 1.096 64.067 63.100 -0.215 0.000 0.822 299 P CB -0.000 31.662 31.700 -0.063 0.000 0.784 300 R N -0.419 119.973 120.500 -0.179 0.000 2.062 300 R HA 0.002 4.223 4.340 -0.198 0.000 0.231 300 R C 2.360 178.624 176.300 -0.060 0.000 1.136 300 R CA 1.482 57.531 56.100 -0.086 0.000 0.948 300 R CB -1.092 29.162 30.300 -0.077 0.000 0.845 300 R HN 0.102 nan 8.270 nan 0.000 0.430 301 A N 1.026 123.778 122.820 -0.114 0.000 1.940 301 A HA -0.166 4.035 4.320 -0.198 0.000 0.219 301 A C 2.105 179.640 177.584 -0.081 0.000 1.176 301 A CA 1.323 53.316 52.037 -0.074 0.000 0.631 301 A CB -0.515 18.445 19.000 -0.066 0.000 0.814 301 A HN 0.220 nan 8.150 nan 0.000 0.446 302 I N -0.419 120.027 120.570 -0.206 0.000 2.233 302 I HA -0.203 3.848 4.170 -0.198 0.000 0.243 302 I C 2.109 178.165 176.117 -0.101 0.000 1.093 302 I CA 0.983 62.153 61.300 -0.217 0.000 1.380 302 I CB -0.456 37.315 38.000 -0.381 0.000 1.067 302 I HN 0.292 nan 8.210 nan 0.000 0.413 303 N N 1.322 119.981 118.700 -0.069 0.000 2.069 303 N HA -0.177 4.444 4.740 -0.198 0.000 0.191 303 N C 1.563 177.118 175.510 0.076 0.000 1.031 303 N CA 1.399 54.441 53.050 -0.014 0.000 0.852 303 N CB -0.620 37.853 38.487 -0.023 0.000 1.018 303 N HN 0.317 nan 8.380 nan 0.000 0.423 304 N N 0.123 118.898 118.700 0.125 0.000 2.142 304 N HA -0.058 4.563 4.740 -0.198 0.000 0.186 304 N C 1.675 177.257 175.510 0.121 0.000 1.023 304 N CA 1.167 54.332 53.050 0.193 0.000 0.852 304 N CB -0.843 37.735 38.487 0.150 0.000 0.998 304 N HN 0.231 nan 8.380 nan 0.000 0.424 305 T N 1.569 116.163 114.554 0.066 0.000 2.708 305 T HA -0.024 4.207 4.350 -0.198 0.000 0.266 305 T C 2.046 176.800 174.700 0.090 0.000 1.037 305 T CA 0.804 62.947 62.100 0.071 0.000 1.146 305 T CB -0.277 68.621 68.868 0.051 0.000 0.865 305 T HN 0.137 nan 8.240 nan 0.000 0.435 306 L N 0.556 121.783 121.223 0.006 0.000 2.109 306 L HA -0.038 4.183 4.340 -0.198 0.000 0.207 306 L C 2.875 179.813 176.870 0.112 0.000 1.086 306 L CA 0.841 55.664 54.840 -0.028 0.000 0.760 306 L CB -0.561 41.412 42.059 -0.144 0.000 0.910 306 L HN 0.253 nan 8.230 nan 0.000 0.437 307 S N 0.175 115.954 115.700 0.132 0.000 2.356 307 S HA -0.121 4.230 4.470 -0.198 0.000 0.223 307 S C 2.001 176.720 174.600 0.199 0.000 1.032 307 S CA 1.170 59.482 58.200 0.186 0.000 1.005 307 S CB -0.152 63.219 63.200 0.286 0.000 0.867 307 S HN 0.272 nan 8.310 nan 0.000 0.449 308 L N 0.389 121.726 121.223 0.190 0.000 2.027 308 L HA 0.039 4.260 4.340 -0.198 0.000 0.206 308 L C 2.056 179.063 176.870 0.230 0.000 1.074 308 L CA 1.142 56.090 54.840 0.179 0.000 0.745 308 L CB -0.313 41.830 42.059 0.140 0.000 0.898 308 L HN 0.345 nan 8.230 nan 0.000 0.433 309 M N 0.146 119.920 119.600 0.291 0.000 2.626 309 M HA 0.032 4.393 4.480 -0.198 0.000 0.262 309 M C 1.535 178.114 176.300 0.465 0.000 1.256 309 M CA 0.060 55.618 55.300 0.431 0.000 0.981 309 M CB 0.133 33.002 32.600 0.448 0.000 1.492 309 M HN 0.173 nan 8.290 nan 0.000 0.474 310 K N 0.326 120.914 120.400 0.313 0.000 2.281 310 K HA -0.145 4.056 4.320 -0.198 0.000 0.203 310 K C 0.810 177.514 176.600 0.174 0.000 1.046 310 K CA 1.342 57.785 56.287 0.260 0.000 0.938 310 K CB -0.166 32.438 32.500 0.172 0.000 0.737 310 K HN 0.443 nan 8.250 nan 0.000 0.458 311 E N -0.313 119.925 120.200 0.063 0.000 2.502 311 E HA -0.058 4.173 4.350 -0.198 0.000 0.194 311 E C 0.310 176.701 176.600 -0.348 0.000 1.062 311 E CA 0.401 56.704 56.400 -0.161 0.000 0.867 311 E CB 0.093 29.620 29.700 -0.289 0.000 0.888 311 E HN 0.500 nan 8.360 nan 0.000 0.510 312 Y N -1.521 118.785 120.300 0.011 0.000 2.426 312 Y HA 0.217 4.761 4.550 -0.010 0.000 0.249 312 Y C 0.209 175.953 175.900 -0.259 0.000 1.103 312 Y CA -0.266 57.745 58.100 -0.148 0.000 1.256 312 Y CB 0.694 38.999 38.460 -0.259 0.000 1.208 312 Y HN -0.124 nan 8.280 nan 0.000 0.519 313 F N 0.211 120.264 119.950 0.173 0.000 2.480 313 F HA 0.444 4.867 4.527 -0.174 0.000 0.329 313 F C 0.611 176.469 175.800 0.097 0.000 1.091 313 F CA -1.565 56.523 58.000 0.147 0.000 0.972 313 F CB 1.341 40.439 39.000 0.162 0.000 1.150 313 F HN -0.262 nan 8.300 nan 0.000 0.467 314 S N 0.735 116.609 115.700 0.291 0.000 2.632 314 S HA 0.191 4.542 4.470 -0.198 0.000 0.267 314 S C 0.619 175.307 174.600 0.147 0.000 1.276 314 S CA -0.732 57.565 58.200 0.161 0.000 0.998 314 S CB 1.048 64.314 63.200 0.111 0.000 0.953 314 S HN 0.599 nan 8.310 nan 0.000 0.547 315 D N 1.108 121.557 120.400 0.081 0.000 2.149 315 D HA -0.091 4.430 4.640 -0.198 0.000 0.198 315 D C 1.701 178.013 176.300 0.019 0.000 0.990 315 D CA 1.473 55.499 54.000 0.043 0.000 0.839 315 D CB -0.312 40.496 40.800 0.013 0.000 0.948 315 D HN 0.720 nan 8.370 nan 0.000 0.460 316 E N 0.773 120.982 120.200 0.016 0.000 2.085 316 E HA -0.152 4.079 4.350 -0.198 0.000 0.194 316 E C 1.988 178.557 176.600 -0.052 0.000 0.994 316 E CA 0.891 57.278 56.400 -0.020 0.000 0.801 316 E CB -0.061 29.631 29.700 -0.014 0.000 0.743 316 E HN 0.379 nan 8.360 nan 0.000 0.453 317 E N -0.261 119.950 120.200 0.018 0.000 2.107 317 E HA -0.107 4.124 4.350 -0.198 0.000 0.191 317 E C 2.002 178.602 176.600 -0.000 0.000 0.982 317 E CA 0.673 57.073 56.400 -0.000 0.000 0.809 317 E CB -0.028 29.879 29.700 0.346 0.000 0.756 317 E HN 0.244 nan 8.360 nan 0.000 0.459 318 I N 1.029 121.638 120.570 0.065 0.000 2.142 318 I HA -0.302 3.749 4.170 -0.198 0.000 0.240 318 I C 2.459 178.563 176.117 -0.022 0.000 1.078 318 I CA 1.188 62.502 61.300 0.024 0.000 1.343 318 I CB -0.182 37.829 38.000 0.018 0.000 1.046 318 I HN 0.012 nan 8.210 nan 0.000 0.405 319 K N 0.926 121.295 120.400 -0.052 0.000 2.020 319 K HA -0.287 3.914 4.320 -0.198 0.000 0.212 319 K C 2.214 178.752 176.600 -0.103 0.000 1.050 319 K CA 1.868 58.112 56.287 -0.070 0.000 0.929 319 K CB -0.200 32.256 32.500 -0.073 0.000 0.714 319 K HN 0.186 nan 8.250 nan 0.000 0.443 320 K N 0.007 120.291 120.400 -0.192 0.000 2.074 320 K HA -0.212 3.989 4.320 -0.198 0.000 0.209 320 K C 1.742 178.133 176.600 -0.348 0.000 1.048 320 K CA 1.753 57.843 56.287 -0.328 0.000 0.926 320 K CB -0.174 32.001 32.500 -0.541 0.000 0.713 320 K HN 0.140 nan 8.250 nan 0.000 0.444 321 Y N 0.545 120.769 120.300 -0.125 0.000 2.544 321 Y HA -0.020 4.404 4.550 -0.209 0.000 0.286 321 Y C 2.182 178.068 175.900 -0.023 0.000 1.141 321 Y CA 1.245 59.290 58.100 -0.092 0.000 1.299 321 Y CB 0.116 38.485 38.460 -0.153 0.000 1.030 321 Y HN 0.316 nan 8.280 nan 0.000 0.543 322 T N -5.025 109.578 114.554 0.082 0.000 3.023 322 T HA 0.041 4.272 4.350 -0.198 0.000 0.253 322 T C 1.278 176.008 174.700 0.048 0.000 1.038 322 T CA 0.203 62.340 62.100 0.061 0.000 0.962 322 T CB 0.036 68.910 68.868 0.009 0.000 1.018 322 T HN -0.006 nan 8.240 nan 0.000 0.521 323 D N 1.878 122.291 120.400 0.021 0.000 2.106 323 D HA -0.120 4.401 4.640 -0.198 0.000 0.191 323 D C 2.211 178.514 176.300 0.006 0.000 0.997 323 D CA 1.175 55.173 54.000 -0.004 0.000 0.834 323 D CB -0.587 40.200 40.800 -0.021 0.000 0.956 323 D HN 0.274 nan 8.370 nan 0.000 0.448 324 V N 0.859 120.803 119.914 0.050 0.000 2.546 324 V HA -0.231 3.770 4.120 -0.198 0.000 0.254 324 V C 2.216 178.379 176.094 0.115 0.000 1.076 324 V CA 1.238 63.545 62.300 0.011 0.000 1.087 324 V CB -0.322 31.519 31.823 0.030 0.000 0.674 324 V HN 0.168 nan 8.190 nan 0.000 0.470 325 I N -0.406 120.277 120.570 0.189 0.000 2.353 325 I HA -0.095 3.956 4.170 -0.198 0.000 0.248 325 I C 2.532 178.726 176.117 0.129 0.000 1.119 325 I CA 1.177 62.612 61.300 0.225 0.000 1.417 325 I CB -0.312 37.772 38.000 0.141 0.000 1.078 325 I HN 0.280 nan 8.210 nan 0.000 0.421 326 E N 0.764 120.991 120.200 0.045 0.000 2.150 326 E HA -0.211 4.020 4.350 -0.198 0.000 0.193 326 E C 1.982 178.560 176.600 -0.037 0.000 0.985 326 E CA 0.794 57.193 56.400 -0.003 0.000 0.814 326 E CB -0.250 29.433 29.700 -0.029 0.000 0.752 326 E HN 0.342 nan 8.360 nan 0.000 0.466 327 K N 0.092 120.436 120.400 -0.093 0.000 2.025 327 K HA -0.080 4.121 4.320 -0.198 0.000 0.207 327 K C 1.909 178.365 176.600 -0.240 0.000 1.049 327 K CA 0.882 57.027 56.287 -0.236 0.000 0.933 327 K CB -0.189 32.056 32.500 -0.425 0.000 0.714 327 K HN 0.062 nan 8.250 nan 0.000 0.438 328 F N 0.536 120.500 119.950 0.023 0.000 2.367 328 F HA -0.003 4.404 4.527 -0.200 0.000 0.298 328 F C 1.045 176.901 175.800 0.093 0.000 1.094 328 F CA 0.402 58.449 58.000 0.078 0.000 1.409 328 F CB 0.398 39.497 39.000 0.166 0.000 1.064 328 F HN -0.271 nan 8.300 nan 0.000 0.528 329 V N 2.129 122.175 119.914 0.220 0.000 2.384 329 V HA 0.186 4.187 4.120 -0.198 0.000 0.257 329 V C -1.812 174.286 176.094 0.008 0.000 0.969 329 V CA -0.814 61.552 62.300 0.110 0.000 0.910 329 V CB 0.987 32.890 31.823 0.133 0.000 1.150 329 V HN -0.076 nan 8.190 nan 0.000 0.481 330 P HA 0.103 nan 4.420 nan 0.000 0.228 330 P C 0.194 177.454 177.300 -0.065 0.000 1.166 330 P CA 0.601 63.673 63.100 -0.047 0.000 0.812 330 P CB 0.788 32.457 31.700 -0.052 0.000 0.857 331 D N 1.201 121.551 120.400 -0.084 0.000 2.373 331 D HA 0.160 4.681 4.640 -0.198 0.000 0.227 331 D C -1.540 174.662 176.300 -0.163 0.000 1.091 331 D CA -2.673 51.275 54.000 -0.087 0.000 0.840 331 D CB 1.284 42.058 40.800 -0.043 0.000 1.060 331 D HN -0.025 nan 8.370 nan 0.000 0.502 332 P HA -0.071 nan 4.420 nan 0.000 0.230 332 P C 0.306 177.463 177.300 -0.239 0.000 1.158 332 P CA 0.851 63.837 63.100 -0.190 0.000 0.769 332 P CB 0.499 32.131 31.700 -0.113 0.000 0.807 333 E N -1.625 118.450 120.200 -0.209 0.000 2.431 333 E HA 0.049 4.280 4.350 -0.198 0.000 0.200 333 E C -0.027 176.224 176.600 -0.583 0.000 0.995 333 E CA 0.182 56.393 56.400 -0.315 0.000 0.915 333 E CB 0.080 29.640 29.700 -0.233 0.000 0.930 333 E HN 0.481 nan 8.360 nan 0.000 0.496 334 H N -1.270 117.587 119.070 -0.355 0.000 2.747 334 H HA 0.421 4.858 4.556 -0.199 0.000 0.371 334 H C -1.202 173.750 175.328 -0.627 0.000 1.161 334 H CA -0.611 55.181 56.048 -0.427 0.000 1.167 334 H CB 1.233 30.833 29.762 -0.270 0.000 1.732 334 H HN -0.149 nan 8.280 nan 0.000 0.544 335 F N 0.249 119.835 119.950 -0.605 0.000 2.556 335 F HA 0.449 4.856 4.527 -0.199 0.000 0.327 335 F C 0.557 176.037 175.800 -0.534 0.000 1.059 335 F CA -0.847 56.778 58.000 -0.624 0.000 0.953 335 F CB 1.450 39.808 39.000 -1.070 0.000 1.227 335 F HN 0.506 nan 8.300 nan 0.000 0.478 336 R N 0.716 121.227 120.500 0.019 0.000 3.423 336 R HA -0.217 4.004 4.340 -0.198 0.000 0.271 336 R C 0.905 177.211 176.300 0.011 0.000 1.093 336 R CA 0.234 56.344 56.100 0.016 0.000 0.730 336 R CB -0.923 29.298 30.300 -0.133 0.000 1.190 336 R HN 0.427 nan 8.270 nan 0.000 0.437 337 K N 0.677 121.093 120.400 0.027 0.000 2.365 337 K HA -0.024 4.177 4.320 -0.198 0.000 0.199 337 K C 1.778 178.377 176.600 -0.002 0.000 1.045 337 K CA 1.858 58.134 56.287 -0.019 0.000 0.962 337 K CB 0.100 32.579 32.500 -0.035 0.000 0.759 337 K HN 0.479 nan 8.250 nan 0.000 0.469 338 T N -2.768 111.820 114.554 0.057 0.000 3.107 338 T HA 0.079 4.310 4.350 -0.198 0.000 0.249 338 T C 0.821 175.543 174.700 0.037 0.000 1.096 338 T CA 0.190 62.315 62.100 0.042 0.000 1.012 338 T CB -0.410 68.511 68.868 0.090 0.000 0.977 338 T HN 0.201 nan 8.240 nan 0.000 0.527 339 T N -1.571 113.003 114.554 0.033 0.000 2.876 339 T HA 0.436 4.667 4.350 -0.198 0.000 0.277 339 T C 0.324 175.023 174.700 -0.003 0.000 0.997 339 T CA -0.595 61.518 62.100 0.021 0.000 0.966 339 T CB 1.185 70.070 68.868 0.029 0.000 1.312 339 T HN -0.150 nan 8.240 nan 0.000 0.598 340 D N 0.155 120.553 120.400 -0.003 0.000 2.301 340 D HA 0.073 4.594 4.640 -0.198 0.000 0.206 340 D C 0.181 176.473 176.300 -0.013 0.000 0.979 340 D CA 0.561 54.554 54.000 -0.011 0.000 0.874 340 D CB 0.062 40.857 40.800 -0.008 0.000 0.968 340 D HN 0.559 nan 8.370 nan 0.000 0.510 341 N N 2.373 121.069 118.700 -0.006 0.000 2.990 341 N HA 0.196 4.817 4.740 -0.198 0.000 0.288 341 N C -2.616 172.906 175.510 0.020 0.000 1.624 341 N CA -0.956 52.094 53.050 0.000 0.000 0.961 341 N CB 1.931 40.415 38.487 -0.006 0.000 1.259 341 N HN 0.122 nan 8.380 nan 0.000 0.489 342 P HA 0.266 nan 4.420 nan 0.000 0.274 342 P C -0.690 176.693 177.300 0.138 0.000 1.256 342 P CA -0.226 62.882 63.100 0.012 0.000 0.795 342 P CB 0.632 32.296 31.700 -0.060 0.000 1.038 343 F N -2.306 117.653 119.950 0.016 0.000 2.613 343 F HA 0.679 5.087 4.527 -0.198 0.000 0.310 343 F C -0.460 175.387 175.800 0.078 0.000 1.085 343 F CA -1.894 56.129 58.000 0.039 0.000 0.945 343 F CB 1.306 40.265 39.000 -0.069 0.000 1.298 343 F HN 0.037 nan 8.300 nan 0.000 0.455 344 K N 2.687 123.183 120.400 0.160 0.000 2.378 344 K HA 0.605 4.806 4.320 -0.198 0.000 0.288 344 K C -0.266 176.343 176.600 0.016 0.000 1.057 344 K CA 0.064 56.241 56.287 -0.183 0.000 0.971 344 K CB 0.606 33.026 32.500 -0.132 0.000 0.975 344 K HN 0.942 nan 8.250 nan 0.000 0.475 345 A N 5.812 128.537 122.820 -0.159 0.000 2.492 345 A HA 0.355 4.556 4.320 -0.198 0.000 0.254 345 A C -0.595 177.050 177.584 0.101 0.000 1.091 345 A CA -0.046 52.053 52.037 0.102 0.000 0.768 345 A CB -0.262 18.711 19.000 -0.045 0.000 1.028 345 A HN 0.750 nan 8.150 nan 0.000 0.498 346 L N 1.994 123.331 121.223 0.191 0.000 2.359 346 L HA 0.656 4.877 4.340 -0.198 0.000 0.256 346 L C 1.264 178.193 176.870 0.100 0.000 1.026 346 L CA -0.274 54.617 54.840 0.085 0.000 0.828 346 L CB 1.811 43.885 42.059 0.024 0.000 1.406 346 L HN 1.121 nan 8.230 nan 0.000 0.413 347 G N 1.018 109.847 108.800 0.049 0.000 2.672 347 G HA2 -0.359 3.482 3.960 -0.198 0.000 0.324 347 G HA3 -0.359 3.482 3.960 -0.198 0.000 0.324 347 G C 0.923 175.900 174.900 0.128 0.000 1.286 347 G CA 0.743 45.889 45.100 0.077 0.000 1.004 347 G HN 1.039 nan 8.290 nan 0.000 0.548 348 G N -0.049 108.867 108.800 0.193 0.000 2.476 348 G HA2 -0.260 3.581 3.960 -0.198 0.000 0.218 348 G HA3 -0.260 3.581 3.960 -0.198 0.000 0.218 348 G C 1.601 176.665 174.900 0.274 0.000 1.164 348 G CA 1.694 46.932 45.100 0.230 0.000 0.768 348 G HN 0.831 nan 8.290 nan 0.000 0.560 349 N N -0.140 118.770 118.700 0.349 0.000 2.104 349 N HA -0.104 4.517 4.740 -0.198 0.000 0.190 349 N C 1.997 177.804 175.510 0.494 0.000 1.024 349 N CA 0.832 54.145 53.050 0.439 0.000 0.853 349 N CB -0.166 38.658 38.487 0.562 0.000 1.008 349 N HN 0.220 nan 8.380 nan 0.000 0.424 350 L N 0.855 122.273 121.223 0.324 0.000 2.083 350 L HA -0.065 4.156 4.340 -0.198 0.000 0.209 350 L C 1.827 178.786 176.870 0.150 0.000 1.083 350 L CA 1.332 56.289 54.840 0.195 0.000 0.752 350 L CB -0.411 41.700 42.059 0.087 0.000 0.899 350 L HN 0.003 nan 8.230 nan 0.000 0.433 351 V N -0.621 119.382 119.914 0.148 0.000 2.379 351 V HA -0.207 3.794 4.120 -0.198 0.000 0.245 351 V C 2.209 178.389 176.094 0.144 0.000 1.044 351 V CA 1.685 64.056 62.300 0.118 0.000 1.036 351 V CB -0.639 31.251 31.823 0.111 0.000 0.664 351 V HN 0.388 nan 8.190 nan 0.000 0.453 352 D N -0.481 120.037 120.400 0.196 0.000 2.218 352 D HA -0.173 4.348 4.640 -0.198 0.000 0.204 352 D C 1.983 178.413 176.300 0.217 0.000 0.976 352 D CA 1.115 55.222 54.000 0.178 0.000 0.853 352 D CB -0.084 40.808 40.800 0.153 0.000 0.939 352 D HN 0.362 nan 8.370 nan 0.000 0.481 353 M N 0.145 119.926 119.600 0.301 0.000 2.159 353 M HA -0.024 4.337 4.480 -0.198 0.000 0.263 353 M C 1.858 178.178 176.300 0.033 0.000 1.063 353 M CA 1.651 57.051 55.300 0.166 0.000 1.110 353 M CB -0.508 32.069 32.600 -0.038 0.000 1.374 353 M HN -0.040 nan 8.290 nan 0.000 0.411 354 G N -0.441 108.378 108.800 0.032 0.000 2.394 354 G HA2 -0.149 3.692 3.960 -0.198 0.000 0.215 354 G HA3 -0.149 3.692 3.960 -0.198 0.000 0.215 354 G C 1.675 176.533 174.900 -0.071 0.000 1.165 354 G CA 0.344 45.432 45.100 -0.020 0.000 0.784 354 G HN 0.471 nan 8.290 nan 0.000 0.535 355 R N -0.212 120.271 120.500 -0.028 0.000 2.237 355 R HA 0.054 4.275 4.340 -0.198 0.000 0.219 355 R C 2.255 178.499 176.300 -0.093 0.000 1.080 355 R CA 0.517 56.573 56.100 -0.073 0.000 0.995 355 R CB -0.104 30.250 30.300 0.091 0.000 0.875 355 R HN 0.344 nan 8.270 nan 0.000 0.462 356 V N 0.666 120.553 119.914 -0.045 0.000 2.391 356 V HA -0.113 3.888 4.120 -0.198 0.000 0.237 356 V C 1.934 177.989 176.094 -0.065 0.000 1.046 356 V CA 1.346 63.623 62.300 -0.039 0.000 1.053 356 V CB -0.090 31.751 31.823 0.029 0.000 0.704 356 V HN 0.188 nan 8.190 nan 0.000 0.475 357 K N -0.206 120.157 120.400 -0.062 0.000 2.186 357 K HA 0.007 4.208 4.320 -0.198 0.000 0.202 357 K C 2.007 178.552 176.600 -0.091 0.000 1.052 357 K CA 0.797 57.042 56.287 -0.071 0.000 0.965 357 K CB -0.132 32.326 32.500 -0.070 0.000 0.746 357 K HN 0.260 nan 8.250 nan 0.000 0.457 358 V N 2.081 121.924 119.914 -0.119 0.000 2.307 358 V HA -0.225 3.776 4.120 -0.198 0.000 0.245 358 V C 2.210 178.191 176.094 -0.189 0.000 1.045 358 V CA 1.366 63.585 62.300 -0.135 0.000 1.024 358 V CB -0.313 31.417 31.823 -0.154 0.000 0.651 358 V HN 0.213 nan 8.190 nan 0.000 0.449 359 I N 0.762 121.155 120.570 -0.295 0.000 2.202 359 I HA -0.162 3.889 4.170 -0.198 0.000 0.242 359 I C 2.733 178.746 176.117 -0.174 0.000 1.091 359 I CA 1.863 62.956 61.300 -0.346 0.000 1.368 359 I CB -1.865 35.844 38.000 -0.484 0.000 1.058 359 I HN 0.284 nan 8.210 nan 0.000 0.410 360 A N 1.140 123.882 122.820 -0.129 0.000 1.908 360 A HA -0.118 4.083 4.320 -0.198 0.000 0.218 360 A C 2.528 180.065 177.584 -0.079 0.000 1.181 360 A CA 1.952 53.940 52.037 -0.082 0.000 0.627 360 A CB -1.399 17.567 19.000 -0.057 0.000 0.818 360 A HN 0.436 nan 8.150 nan 0.000 0.445 361 G N -0.205 108.549 108.800 -0.077 0.000 2.440 361 G HA2 -0.189 3.652 3.960 -0.198 0.000 0.218 361 G HA3 -0.189 3.652 3.960 -0.198 0.000 0.218 361 G C 1.565 176.432 174.900 -0.055 0.000 1.154 361 G CA 1.098 46.163 45.100 -0.059 0.000 0.767 361 G HN 0.443 nan 8.290 nan 0.000 0.552 362 L N -0.226 120.982 121.223 -0.024 0.000 2.027 362 L HA 0.010 4.231 4.340 -0.198 0.000 0.206 362 L C 2.919 179.771 176.870 -0.031 0.000 1.074 362 L CA 0.568 55.444 54.840 0.059 0.000 0.745 362 L CB -0.396 41.691 42.059 0.048 0.000 0.898 362 L HN 0.176 nan 8.230 nan 0.000 0.433 363 L N -0.551 120.640 121.223 -0.052 0.000 2.083 363 L HA -0.196 4.025 4.340 -0.198 0.000 0.209 363 L C 2.382 179.189 176.870 -0.105 0.000 1.083 363 L CA 1.322 56.131 54.840 -0.051 0.000 0.752 363 L CB -0.354 41.681 42.059 -0.039 0.000 0.899 363 L HN 0.200 nan 8.230 nan 0.000 0.433 364 R N 0.060 120.477 120.500 -0.139 0.000 2.310 364 R HA 0.053 4.274 4.340 -0.198 0.000 0.202 364 R C 0.061 176.186 176.300 -0.291 0.000 0.933 364 R CA -0.098 55.903 56.100 -0.164 0.000 1.054 364 R CB 0.099 30.329 30.300 -0.117 0.000 0.985 364 R HN 0.151 nan 8.270 nan 0.000 0.489 365 K N 1.414 121.505 120.400 -0.514 0.000 3.071 365 K HA -0.190 4.011 4.320 -0.198 0.000 0.262 365 K C -0.654 175.563 176.600 -0.639 0.000 0.977 365 K CA 0.866 56.450 56.287 -1.172 0.000 0.721 365 K CB -1.070 30.853 32.500 -0.962 0.000 1.293 365 K HN 0.155 nan 8.250 nan 0.000 0.475 366 D N 0.623 120.839 120.400 -0.307 0.000 2.473 366 D HA 0.163 4.684 4.640 -0.198 0.000 0.226 366 D C 0.289 176.596 176.300 0.011 0.000 1.089 366 D CA -0.558 53.377 54.000 -0.108 0.000 0.883 366 D CB 0.786 41.532 40.800 -0.089 0.000 1.029 366 D HN 0.101 nan 8.370 nan 0.000 0.517 367 D N 1.531 121.983 120.400 0.087 0.000 2.106 367 D HA -0.218 4.303 4.640 -0.198 0.000 0.191 367 D C 1.660 177.992 176.300 0.053 0.000 0.997 367 D CA 1.005 55.077 54.000 0.119 0.000 0.834 367 D CB 0.262 41.134 40.800 0.119 0.000 0.956 367 D HN 0.344 nan 8.370 nan 0.000 0.448 368 Q N 0.621 120.437 119.800 0.026 0.000 2.096 368 Q HA -0.271 3.950 4.340 -0.198 0.000 0.208 368 Q C 2.100 178.100 176.000 -0.000 0.000 0.993 368 Q CA 1.605 57.413 55.803 0.008 0.000 0.862 368 Q CB -0.284 28.453 28.738 -0.003 0.000 0.915 368 Q HN 0.470 nan 8.270 nan 0.000 0.416 369 E N -0.413 119.782 120.200 -0.009 0.000 2.085 369 E HA -0.192 4.039 4.350 -0.198 0.000 0.194 369 E C 2.178 178.769 176.600 -0.015 0.000 0.994 369 E CA 1.286 57.673 56.400 -0.021 0.000 0.801 369 E CB -0.149 29.531 29.700 -0.033 0.000 0.743 369 E HN 0.377 nan 8.360 nan 0.000 0.453 370 I N 0.857 121.430 120.570 0.005 0.000 2.113 370 I HA -0.322 3.729 4.170 -0.198 0.000 0.238 370 I C 2.771 178.893 176.117 0.008 0.000 1.070 370 I CA 1.518 62.824 61.300 0.011 0.000 1.332 370 I CB -0.464 37.565 38.000 0.049 0.000 1.044 370 I HN 0.213 nan 8.210 nan 0.000 0.402 371 S N 0.714 116.424 115.700 0.016 0.000 2.359 371 S HA -0.252 4.099 4.470 -0.198 0.000 0.223 371 S C 2.184 176.789 174.600 0.007 0.000 1.039 371 S CA 1.717 59.925 58.200 0.014 0.000 1.042 371 S CB -1.184 62.026 63.200 0.016 0.000 0.915 371 S HN 0.567 nan 8.310 nan 0.000 0.439 372 S N 1.754 117.453 115.700 -0.002 0.000 2.359 372 S HA -0.149 4.202 4.470 -0.198 0.000 0.224 372 S C 2.001 176.589 174.600 -0.020 0.000 1.035 372 S CA 1.676 59.869 58.200 -0.012 0.000 1.018 372 S CB -1.776 61.412 63.200 -0.020 0.000 0.876 372 S HN 0.623 nan 8.310 nan 0.000 0.448 373 T N 2.626 117.163 114.554 -0.027 0.000 2.746 373 T HA 0.113 4.344 4.350 -0.198 0.000 0.267 373 T C 1.775 176.465 174.700 -0.017 0.000 1.039 373 T CA 1.452 63.529 62.100 -0.039 0.000 1.142 373 T CB -0.486 68.353 68.868 -0.048 0.000 0.866 373 T HN 0.367 nan 8.240 nan 0.000 0.444 374 I N 0.416 120.987 120.570 0.002 0.000 2.202 374 I HA -0.144 3.907 4.170 -0.198 0.000 0.242 374 I C 2.839 178.982 176.117 0.043 0.000 1.091 374 I CA 1.217 62.534 61.300 0.030 0.000 1.368 374 I CB -0.240 37.782 38.000 0.037 0.000 1.058 374 I HN 0.069 nan 8.210 nan 0.000 0.410 375 R N 0.105 120.624 120.500 0.031 0.000 2.103 375 R HA -0.212 4.009 4.340 -0.198 0.000 0.242 375 R C 2.578 178.895 176.300 0.029 0.000 1.142 375 R CA 1.921 58.042 56.100 0.036 0.000 0.960 375 R CB -0.434 29.878 30.300 0.020 0.000 0.858 375 R HN 0.242 nan 8.270 nan 0.000 0.439 376 S N 0.130 115.830 115.700 0.001 0.000 2.368 376 S HA -0.097 4.254 4.470 -0.198 0.000 0.225 376 S C 1.885 176.475 174.600 -0.016 0.000 1.030 376 S CA 1.096 59.283 58.200 -0.023 0.000 0.999 376 S CB -0.145 63.020 63.200 -0.058 0.000 0.844 376 S HN 0.265 nan 8.310 nan 0.000 0.459 377 I N 1.268 121.835 120.570 -0.005 0.000 2.208 377 I HA -0.194 3.857 4.170 -0.198 0.000 0.245 377 I C 2.456 178.546 176.117 -0.044 0.000 1.097 377 I CA 1.475 62.764 61.300 -0.019 0.000 1.363 377 I CB -0.317 37.690 38.000 0.013 0.000 1.051 377 I HN 0.404 nan 8.210 nan 0.000 0.413 378 E N 0.079 120.328 120.200 0.081 0.000 2.233 378 E HA -0.360 3.871 4.350 -0.198 0.000 0.199 378 E C 2.033 178.722 176.600 0.149 0.000 1.004 378 E CA 1.394 57.935 56.400 0.235 0.000 0.819 378 E CB -0.143 29.699 29.700 0.237 0.000 0.738 378 E HN 0.514 nan 8.360 nan 0.000 0.478 379 Q N 0.469 120.296 119.800 0.046 0.000 2.234 379 Q HA -0.162 4.059 4.340 -0.198 0.000 0.206 379 Q C 2.101 178.113 176.000 0.020 0.000 0.980 379 Q CA 1.057 56.883 55.803 0.039 0.000 0.869 379 Q CB -0.023 28.717 28.738 0.003 0.000 0.912 379 Q HN 0.215 nan 8.270 nan 0.000 0.436 380 V N 0.259 120.111 119.914 -0.104 0.000 2.720 380 V HA -0.182 3.819 4.120 -0.198 0.000 0.256 380 V C 1.072 177.214 176.094 0.079 0.000 1.082 380 V CA 1.328 63.566 62.300 -0.103 0.000 1.101 380 V CB -0.476 31.200 31.823 -0.244 0.000 0.693 380 V HN 0.433 nan 8.190 nan 0.000 0.479 381 F N 0.445 120.598 119.950 0.337 0.000 2.802 381 F HA 0.203 4.610 4.527 -0.199 0.000 0.300 381 F C 1.276 177.229 175.800 0.256 0.000 1.168 381 F CA -0.008 58.192 58.000 0.333 0.000 1.433 381 F CB -0.325 38.753 39.000 0.130 0.000 1.115 381 F HN 0.055 nan 8.300 nan 0.000 0.582 382 K N 1.211 121.809 120.400 0.330 0.000 2.172 382 K HA 0.328 4.529 4.320 -0.198 0.000 0.276 382 K C -0.540 176.188 176.600 0.214 0.000 1.013 382 K CA -0.825 55.590 56.287 0.214 0.000 0.913 382 K CB 1.960 34.535 32.500 0.124 0.000 1.055 382 K HN -0.078 nan 8.250 nan 0.000 0.461 383 L N 2.689 124.004 121.223 0.152 0.000 2.350 383 L HA 0.218 4.439 4.340 -0.198 0.000 0.275 383 L C -0.021 176.835 176.870 -0.024 0.000 1.099 383 L CA -0.316 54.594 54.840 0.117 0.000 0.808 383 L CB 1.433 43.527 42.059 0.059 0.000 1.149 383 L HN 0.445 nan 8.230 nan 0.000 0.442 384 V N -0.116 119.690 119.914 -0.180 0.000 2.994 384 V HA 0.731 4.732 4.120 -0.198 0.000 0.318 384 V C -0.264 175.499 176.094 -0.551 0.000 1.085 384 V CA -0.471 61.623 62.300 -0.344 0.000 0.998 384 V CB 1.921 33.488 31.823 -0.427 0.000 1.063 384 V HN 0.834 nan 8.190 nan 0.000 0.447 385 D N -0.675 119.511 120.400 -0.357 0.000 2.513 385 D HA 0.303 4.824 4.640 -0.198 0.000 0.222 385 D C 0.155 176.459 176.300 0.006 0.000 1.210 385 D CA -0.006 53.901 54.000 -0.156 0.000 0.825 385 D CB 0.375 41.178 40.800 0.005 0.000 1.037 385 D HN 0.752 nan 8.370 nan 0.000 0.506 386 Q N -0.249 119.470 119.800 -0.135 0.000 2.545 386 Q HA 0.439 4.660 4.340 -0.198 0.000 0.273 386 Q C -0.264 175.736 176.000 0.000 0.000 0.975 386 Q CA -0.159 55.685 55.803 0.068 0.000 0.876 386 Q CB 1.424 30.192 28.738 0.049 0.000 1.472 386 Q HN 0.287 nan 8.270 nan 0.000 0.389 387 G N 2.007 110.866 108.800 0.098 0.000 2.568 387 G HA2 -0.212 3.629 3.960 -0.198 0.000 0.222 387 G HA3 -0.212 3.629 3.960 -0.198 0.000 0.222 387 G C -1.062 173.843 174.900 0.009 0.000 1.321 387 G CA -0.131 44.983 45.100 0.024 0.000 0.893 387 G HN 0.626 nan 8.290 nan 0.000 0.569 388 E N 0.534 120.678 120.200 -0.093 0.000 2.301 388 E HA 0.539 4.770 4.350 -0.198 0.000 0.275 388 E C 0.639 177.064 176.600 -0.292 0.000 1.030 388 E CA 0.290 56.562 56.400 -0.214 0.000 0.852 388 E CB 1.338 30.901 29.700 -0.229 0.000 1.060 388 E HN 1.916 nan 8.360 nan 0.000 0.401 389 G N 1.312 109.788 108.800 -0.541 0.000 2.334 389 G HA2 -0.046 3.795 3.960 -0.198 0.000 0.315 389 G HA3 -0.046 3.795 3.960 -0.198 0.000 0.315 389 G C -1.510 173.142 174.900 -0.413 0.000 1.284 389 G CA -1.164 43.636 45.100 -0.499 0.000 0.985 389 G HN 0.283 nan 8.290 nan 0.000 0.504 390 F N 0.512 120.459 119.950 -0.006 0.000 2.394 390 F HA 0.720 5.128 4.527 -0.199 0.000 0.340 390 F C 0.352 176.232 175.800 0.132 0.000 1.105 390 F CA -0.160 57.939 58.000 0.165 0.000 1.124 390 F CB 1.107 40.186 39.000 0.131 0.000 1.145 390 F HN 0.400 nan 8.300 nan 0.000 0.505 391 Y N 1.153 121.624 120.300 0.285 0.000 2.534 391 Y HA 0.163 4.594 4.550 -0.198 0.000 0.329 391 Y C 1.435 177.493 175.900 0.264 0.000 1.154 391 Y CA -1.019 57.204 58.100 0.204 0.000 1.192 391 Y CB 0.899 39.442 38.460 0.138 0.000 1.275 391 Y HN 0.590 nan 8.280 nan 0.000 0.491 392 Q N 0.783 120.784 119.800 0.335 0.000 2.226 392 Q HA -0.183 4.038 4.340 -0.198 0.000 0.204 392 Q C 0.352 176.581 176.000 0.382 0.000 0.975 392 Q CA 2.118 58.096 55.803 0.292 0.000 0.866 392 Q CB -0.253 28.587 28.738 0.171 0.000 0.915 392 Q HN 0.889 nan 8.270 nan 0.000 0.440 393 D N -1.014 119.591 120.400 0.342 0.000 2.328 393 D HA 0.107 4.628 4.640 -0.198 0.000 0.226 393 D C 1.175 177.696 176.300 0.368 0.000 1.066 393 D CA 0.850 55.014 54.000 0.272 0.000 0.861 393 D CB 0.186 41.093 40.800 0.179 0.000 0.912 393 D HN 0.472 nan 8.370 nan 0.000 0.521 394 G N -0.297 108.766 108.800 0.439 0.000 2.234 394 G HA2 -0.274 3.567 3.960 -0.198 0.000 0.235 394 G HA3 -0.274 3.567 3.960 -0.198 0.000 0.235 394 G C 0.485 175.547 174.900 0.270 0.000 0.997 394 G CA 0.182 45.546 45.100 0.440 0.000 0.623 394 G HN 0.449 nan 8.290 nan 0.000 0.514 395 S N -0.296 115.555 115.700 0.252 0.000 2.576 395 S HA 0.479 4.830 4.470 -0.198 0.000 0.272 395 S C -0.415 174.249 174.600 0.107 0.000 1.352 395 S CA 0.495 58.679 58.200 -0.028 0.000 1.021 395 S CB 1.255 64.379 63.200 -0.126 0.000 0.887 395 S HN 0.930 nan 8.310 nan 0.000 0.542 396 Y N 1.436 121.619 120.300 -0.195 0.000 2.331 396 Y HA 0.509 4.940 4.550 -0.198 0.000 0.326 396 Y C -1.339 174.446 175.900 -0.191 0.000 1.020 396 Y CA -0.844 57.101 58.100 -0.259 0.000 1.136 396 Y CB 0.576 38.710 38.460 -0.544 0.000 1.157 396 Y HN 0.436 nan 8.280 nan 0.000 0.444 397 I N 5.760 125.946 120.570 -0.639 0.000 2.460 397 I HA 0.415 4.466 4.170 -0.198 0.000 0.298 397 I C -0.506 175.231 176.117 -0.633 0.000 0.989 397 I CA -0.309 60.736 61.300 -0.424 0.000 1.173 397 I CB 1.717 39.622 38.000 -0.159 0.000 1.338 397 I HN 0.720 nan 8.210 nan 0.000 0.456 398 D N 2.889 123.101 120.400 -0.314 0.000 2.626 398 D HA 0.276 4.797 4.640 -0.198 0.000 0.278 398 D C -0.427 175.790 176.300 -0.138 0.000 1.211 398 D CA -0.317 53.470 54.000 -0.355 0.000 0.903 398 D CB 1.470 41.945 40.800 -0.543 0.000 1.408 398 D HN 0.642 nan 8.370 nan 0.000 0.454 399 H N 0.741 119.603 119.070 -0.348 0.000 2.604 399 H HA -0.228 4.209 4.556 -0.199 0.000 0.321 399 H C 0.506 175.747 175.328 -0.145 0.000 1.132 399 H CA 0.633 56.538 56.048 -0.239 0.000 1.129 399 H CB -0.960 28.730 29.762 -0.119 0.000 1.526 399 H HN 0.548 nan 8.280 nan 0.000 0.415 400 T N -1.199 113.328 114.554 -0.046 0.000 12.892 400 T HA -0.342 3.889 4.350 -0.198 0.000 0.418 400 T C 0.929 175.611 174.700 -0.030 0.000 1.450 400 T CA 2.019 64.090 62.100 -0.047 0.000 2.382 400 T CB -0.901 67.939 68.868 -0.048 0.000 2.816 400 T HN 0.773 nan 8.240 nan 0.000 0.702 401 N N 0.480 119.171 118.700 -0.014 0.000 2.453 401 N HA 0.388 5.010 4.740 -0.198 0.000 0.267 401 N C -0.999 174.501 175.510 -0.017 0.000 1.482 401 N CA -0.177 52.865 53.050 -0.012 0.000 0.841 401 N CB -0.023 38.471 38.487 0.012 0.000 1.408 401 N HN 0.491 nan 8.380 nan 0.000 0.490 402 V N 0.564 120.466 119.914 -0.020 0.000 2.435 402 V HA 0.783 4.784 4.120 -0.198 0.000 0.290 402 V C 0.628 176.668 176.094 -0.091 0.000 1.030 402 V CA -1.270 60.992 62.300 -0.064 0.000 0.881 402 V CB 1.360 33.135 31.823 -0.080 0.000 0.983 402 V HN 0.413 nan 8.190 nan 0.000 0.445 403 A N 3.681 126.422 122.820 -0.131 0.000 2.505 403 A HA 0.364 4.565 4.320 -0.198 0.000 0.271 403 A C -0.306 177.210 177.584 -0.114 0.000 1.112 403 A CA 0.460 52.429 52.037 -0.112 0.000 0.781 403 A CB -0.552 18.383 19.000 -0.108 0.000 1.059 403 A HN 0.819 nan 8.150 nan 0.000 0.508 404 Y N 1.945 122.263 120.300 0.031 0.000 2.768 404 Y HA 0.116 4.548 4.550 -0.198 0.000 0.249 404 Y C 1.873 177.860 175.900 0.145 0.000 1.146 404 Y CA 0.042 58.220 58.100 0.131 0.000 1.171 404 Y CB -0.082 38.502 38.460 0.206 0.000 1.249 404 Y HN 0.736 nan 8.280 nan 0.000 0.567 405 T N -1.561 113.087 114.554 0.157 0.000 2.699 405 T HA -0.211 4.020 4.350 -0.198 0.000 0.268 405 T C 2.068 176.733 174.700 -0.058 0.000 1.036 405 T CA 1.807 63.797 62.100 -0.183 0.000 1.147 405 T CB -0.419 68.260 68.868 -0.315 0.000 0.862 405 T HN 0.556 nan 8.240 nan 0.000 0.446 406 G N -0.338 108.480 108.800 0.031 0.000 3.155 406 G HA2 0.412 4.253 3.960 -0.198 0.000 0.213 406 G HA3 0.412 4.253 3.960 -0.198 0.000 0.213 406 G C 0.850 175.777 174.900 0.045 0.000 1.196 406 G CA 0.627 45.758 45.100 0.052 0.000 0.846 406 G HN 0.633 nan 8.290 nan 0.000 0.516 407 A N -0.554 122.298 122.820 0.053 0.000 1.657 407 A HA 0.463 4.664 4.320 -0.198 0.000 0.202 407 A C 1.390 178.756 177.584 -0.363 0.000 1.712 407 A CA 0.065 52.023 52.037 -0.132 0.000 1.203 407 A CB -0.313 18.668 19.000 -0.032 0.000 1.093 407 A HN 0.083 nan 8.150 nan 0.000 0.507 408 F N 1.625 121.395 119.950 -0.300 0.000 2.293 408 F HA 0.134 4.542 4.527 -0.198 0.000 0.297 408 F C 2.553 178.154 175.800 -0.332 0.000 1.089 408 F CA 1.393 59.200 58.000 -0.321 0.000 1.377 408 F CB -0.257 38.536 39.000 -0.345 0.000 1.051 408 F HN 0.338 nan 8.300 nan 0.000 0.511 409 G N -0.020 108.578 108.800 -0.337 0.000 2.418 409 G HA2 -0.268 3.573 3.960 -0.198 0.000 0.217 409 G HA3 -0.268 3.573 3.960 -0.198 0.000 0.217 409 G C 1.565 176.494 174.900 0.048 0.000 1.158 409 G CA 0.992 45.834 45.100 -0.430 0.000 0.771 409 G HN 0.236 nan 8.290 nan 0.000 0.545 410 N N 0.667 119.374 118.700 0.011 0.000 2.025 410 N HA -0.133 4.488 4.740 -0.198 0.000 0.194 410 N C 2.279 177.741 175.510 -0.080 0.000 1.044 410 N CA 1.434 54.446 53.050 -0.065 0.000 0.851 410 N CB -0.930 37.498 38.487 -0.098 0.000 1.036 410 N HN 0.174 nan 8.380 nan 0.000 0.422 411 V N 1.411 121.266 119.914 -0.100 0.000 2.380 411 V HA -0.199 3.802 4.120 -0.198 0.000 0.251 411 V C 2.328 178.429 176.094 0.011 0.000 1.063 411 V CA 1.218 63.486 62.300 -0.053 0.000 1.055 411 V CB -0.631 31.148 31.823 -0.073 0.000 0.657 411 V HN 0.279 nan 8.190 nan 0.000 0.455 412 L N -0.695 120.532 121.223 0.007 0.000 1.961 412 L HA -0.193 4.028 4.340 -0.198 0.000 0.210 412 L C 2.349 179.272 176.870 0.088 0.000 1.072 412 L CA 2.097 56.959 54.840 0.037 0.000 0.749 412 L CB -0.223 41.806 42.059 -0.051 0.000 0.889 412 L HN 0.268 nan 8.230 nan 0.000 0.432 413 I N -0.282 120.341 120.570 0.088 0.000 2.179 413 I HA -0.331 3.720 4.170 -0.198 0.000 0.242 413 I C 2.168 178.304 176.117 0.031 0.000 1.088 413 I CA 1.799 63.152 61.300 0.088 0.000 1.357 413 I CB -0.255 37.671 38.000 -0.125 0.000 1.051 413 I HN 0.405 nan 8.210 nan 0.000 0.409 414 D N 0.343 120.728 120.400 -0.024 0.000 2.092 414 D HA -0.180 4.341 4.640 -0.198 0.000 0.193 414 D C 2.114 178.437 176.300 0.038 0.000 0.994 414 D CA 1.808 55.797 54.000 -0.019 0.000 0.828 414 D CB -0.566 40.208 40.800 -0.043 0.000 0.963 414 D HN 0.448 nan 8.370 nan 0.000 0.450 415 G N 0.287 109.128 108.800 0.069 0.000 2.394 415 G HA2 -0.190 3.651 3.960 -0.198 0.000 0.215 415 G HA3 -0.190 3.651 3.960 -0.198 0.000 0.215 415 G C 1.644 176.640 174.900 0.160 0.000 1.165 415 G CA 0.702 45.877 45.100 0.124 0.000 0.784 415 G HN 0.334 nan 8.290 nan 0.000 0.535 416 L N 2.088 123.404 121.223 0.154 0.000 2.046 416 L HA -0.080 4.141 4.340 -0.198 0.000 0.208 416 L C 3.146 180.127 176.870 0.186 0.000 1.077 416 L CA 2.485 57.437 54.840 0.187 0.000 0.747 416 L CB -0.679 41.527 42.059 0.244 0.000 0.896 416 L HN 0.355 nan 8.230 nan 0.000 0.432 417 S N -1.736 114.052 115.700 0.147 0.000 2.419 417 S HA -0.236 4.115 4.470 -0.198 0.000 0.233 417 S C 1.808 176.477 174.600 0.116 0.000 1.016 417 S CA 1.168 59.435 58.200 0.112 0.000 0.974 417 S CB -0.581 62.656 63.200 0.062 0.000 0.786 417 S HN 0.665 nan 8.310 nan 0.000 0.492 418 Q N -0.159 119.727 119.800 0.142 0.000 2.137 418 Q HA 0.118 4.339 4.340 -0.198 0.000 0.198 418 Q C 2.033 178.266 176.000 0.389 0.000 0.960 418 Q CA 0.831 56.737 55.803 0.172 0.000 0.847 418 Q CB -0.247 28.570 28.738 0.132 0.000 0.915 418 Q HN 0.413 nan 8.270 nan 0.000 0.448 419 L N 0.669 122.118 121.223 0.376 0.000 2.095 419 L HA -0.074 4.147 4.340 -0.198 0.000 0.204 419 L C 2.040 179.037 176.870 0.211 0.000 1.080 419 L CA 1.294 56.319 54.840 0.308 0.000 0.759 419 L CB -0.745 41.422 42.059 0.181 0.000 0.914 419 L HN 0.205 nan 8.230 nan 0.000 0.439 420 L N -0.138 121.198 121.223 0.188 0.000 2.010 420 L HA -0.264 3.957 4.340 -0.198 0.000 0.219 420 L C -0.146 176.801 176.870 0.129 0.000 1.077 420 L CA 1.840 56.773 54.840 0.155 0.000 0.773 420 L CB -1.920 40.226 42.059 0.144 0.000 0.892 420 L HN 0.246 nan 8.230 nan 0.000 0.436 421 P HA -0.138 nan 4.420 nan 0.000 0.216 421 P C 1.873 179.248 177.300 0.125 0.000 1.150 421 P CA 1.198 64.368 63.100 0.117 0.000 0.837 421 P CB 0.060 31.832 31.700 0.120 0.000 0.786 422 V N -0.592 119.420 119.914 0.164 0.000 2.283 422 V HA -0.189 3.812 4.120 -0.198 0.000 0.243 422 V C 2.391 178.534 176.094 0.081 0.000 1.039 422 V CA 1.437 63.821 62.300 0.141 0.000 1.016 422 V CB -1.065 30.864 31.823 0.177 0.000 0.650 422 V HN 0.014 nan 8.190 nan 0.000 0.449 423 I N -0.060 120.556 120.570 0.076 0.000 2.194 423 I HA -0.279 3.772 4.170 -0.198 0.000 0.246 423 I C 2.583 178.731 176.117 0.052 0.000 1.093 423 I CA 1.317 62.651 61.300 0.057 0.000 1.355 423 I CB -0.319 37.728 38.000 0.078 0.000 1.046 423 I HN 0.318 nan 8.210 nan 0.000 0.413 424 Q N 0.455 120.292 119.800 0.062 0.000 2.439 424 Q HA -0.139 4.082 4.340 -0.198 0.000 0.211 424 Q C 1.492 177.512 176.000 0.033 0.000 0.978 424 Q CA 1.209 57.039 55.803 0.045 0.000 0.897 424 Q CB -0.183 28.584 28.738 0.048 0.000 0.956 424 Q HN 0.477 nan 8.270 nan 0.000 0.483 425 K N 0.201 120.622 120.400 0.035 0.000 2.414 425 K HA 0.073 4.274 4.320 -0.198 0.000 0.204 425 K C 0.500 177.100 176.600 0.000 0.000 1.026 425 K CA 0.013 56.313 56.287 0.021 0.000 1.108 425 K CB 0.760 33.280 32.500 0.033 0.000 0.855 425 K HN 0.201 nan 8.250 nan 0.000 0.517 426 T N -2.622 111.933 114.554 0.000 0.000 2.867 426 T HA 0.219 4.450 4.350 -0.198 0.000 0.286 426 T C 1.088 175.774 174.700 -0.023 0.000 1.022 426 T CA -0.589 61.498 62.100 -0.021 0.000 0.933 426 T CB 1.176 70.041 68.868 -0.005 0.000 1.280 426 T HN -0.146 nan 8.240 nan 0.000 0.566 427 K N -0.088 120.294 120.400 -0.031 0.000 2.365 427 K HA 0.079 4.280 4.320 -0.198 0.000 0.199 427 K C -0.032 176.566 176.600 -0.005 0.000 1.045 427 K CA 0.651 56.925 56.287 -0.023 0.000 0.962 427 K CB -0.163 32.322 32.500 -0.025 0.000 0.759 427 K HN 0.501 nan 8.250 nan 0.000 0.469 428 N N 1.115 119.818 118.700 0.005 0.000 2.813 428 N HA 0.143 4.764 4.740 -0.198 0.000 0.282 428 N C -2.797 172.727 175.510 0.023 0.000 1.748 428 N CA -1.254 51.805 53.050 0.015 0.000 0.860 428 N CB 1.244 39.743 38.487 0.020 0.000 1.204 428 N HN 0.022 nan 8.380 nan 0.000 0.490 429 P HA 0.116 nan 4.420 nan 0.000 0.272 429 P C -0.134 177.179 177.300 0.023 0.000 1.223 429 P CA -0.069 63.045 63.100 0.022 0.000 0.784 429 P CB 1.398 33.105 31.700 0.012 0.000 0.923 430 I N 2.096 122.683 120.570 0.027 0.000 2.395 430 I HA 0.110 4.161 4.170 -0.198 0.000 0.289 430 I C 0.651 176.742 176.117 -0.044 0.000 1.023 430 I CA -0.540 60.767 61.300 0.012 0.000 1.350 430 I CB 0.270 38.296 38.000 0.044 0.000 1.409 430 I HN 0.185 nan 8.210 nan 0.000 0.507 431 D N 6.176 126.546 120.400 -0.051 0.000 2.525 431 D HA -0.037 4.484 4.640 -0.198 0.000 0.235 431 D C 0.962 177.193 176.300 -0.117 0.000 1.137 431 D CA 0.160 54.121 54.000 -0.065 0.000 0.868 431 D CB 0.713 41.483 40.800 -0.050 0.000 1.180 431 D HN 0.401 nan 8.370 nan 0.000 0.465 432 K N 1.765 122.113 120.400 -0.087 0.000 2.044 432 K HA -0.186 4.015 4.320 -0.198 0.000 0.210 432 K C 1.198 177.728 176.600 -0.118 0.000 1.049 432 K CA 1.477 57.709 56.287 -0.092 0.000 0.927 432 K CB -0.154 32.316 32.500 -0.048 0.000 0.713 432 K HN 0.362 nan 8.250 nan 0.000 0.443 433 D N 0.770 121.114 120.400 -0.093 0.000 2.123 433 D HA -0.145 4.376 4.640 -0.198 0.000 0.196 433 D C 1.519 177.735 176.300 -0.140 0.000 0.992 433 D CA 1.226 55.174 54.000 -0.087 0.000 0.833 433 D CB -0.093 40.673 40.800 -0.055 0.000 0.954 433 D HN 0.169 nan 8.370 nan 0.000 0.455 434 K N -0.418 119.871 120.400 -0.185 0.000 2.211 434 K HA 0.044 4.245 4.320 -0.198 0.000 0.203 434 K C 1.671 177.899 176.600 -0.619 0.000 1.050 434 K CA 0.780 56.911 56.287 -0.259 0.000 0.945 434 K CB 0.025 32.412 32.500 -0.188 0.000 0.732 434 K HN 0.184 nan 8.250 nan 0.000 0.451 435 M N -0.053 119.123 119.600 -0.707 0.000 2.561 435 M HA -0.014 4.347 4.480 -0.198 0.000 0.238 435 M C 1.559 177.539 176.300 -0.533 0.000 1.131 435 M CA 0.334 55.071 55.300 -0.939 0.000 1.046 435 M CB 0.376 32.570 32.600 -0.676 0.000 1.532 435 M HN -0.043 nan 8.290 nan 0.000 0.497 436 Q N 0.985 120.612 119.800 -0.290 0.000 2.077 436 Q HA -0.170 4.051 4.340 -0.198 0.000 0.206 436 Q C 2.125 178.020 176.000 -0.174 0.000 0.989 436 Q CA 2.728 58.478 55.803 -0.087 0.000 0.853 436 Q CB -0.656 28.053 28.738 -0.048 0.000 0.907 436 Q HN 0.635 nan 8.270 nan 0.000 0.418 437 T N -2.170 112.211 114.554 -0.288 0.000 2.897 437 T HA -0.201 4.030 4.350 -0.198 0.000 0.271 437 T C 1.777 175.895 174.700 -0.969 0.000 1.084 437 T CA 1.410 63.273 62.100 -0.395 0.000 1.123 437 T CB -0.267 68.476 68.868 -0.208 0.000 0.865 437 T HN 0.228 nan 8.240 nan 0.000 0.496 438 M N 0.206 119.083 119.600 -1.205 0.000 2.106 438 M HA -0.110 4.251 4.480 -0.198 0.000 0.259 438 M C 1.951 177.721 176.300 -0.883 0.000 1.068 438 M CA 1.963 56.353 55.300 -1.517 0.000 1.100 438 M CB -0.501 31.427 32.600 -1.119 0.000 1.351 438 M HN 0.339 nan 8.290 nan 0.000 0.404 439 Y N -1.971 118.137 120.300 -0.320 0.000 2.421 439 Y HA -0.198 4.233 4.550 -0.198 0.000 0.292 439 Y C 2.467 178.312 175.900 -0.092 0.000 1.136 439 Y CA 1.082 59.097 58.100 -0.142 0.000 1.255 439 Y CB -1.034 37.362 38.460 -0.106 0.000 0.991 439 Y HN 0.377 nan 8.280 nan 0.000 0.552 440 H N -0.844 118.141 119.070 -0.141 0.000 2.428 440 H HA -0.145 4.292 4.556 -0.199 0.000 0.296 440 H C 1.275 176.612 175.328 0.014 0.000 1.062 440 H CA 1.564 57.581 56.048 -0.052 0.000 1.350 440 H CB -0.065 29.659 29.762 -0.063 0.000 1.403 440 H HN 0.313 nan 8.280 nan 0.000 0.533 441 W N 1.101 122.338 121.300 -0.105 0.000 2.379 441 W HA -0.069 4.472 4.660 -0.199 0.000 0.307 441 W C 2.593 179.092 176.519 -0.034 0.000 1.200 441 W CA 0.094 57.237 57.345 -0.337 0.000 1.297 441 W CB -1.208 27.889 29.460 -0.606 0.000 1.140 441 W HN 0.153 nan 8.180 nan 0.000 0.507 442 I N 0.511 121.289 120.570 0.347 0.000 2.099 442 I HA -0.325 3.726 4.170 -0.198 0.000 0.239 442 I C 2.172 178.391 176.117 0.169 0.000 1.066 442 I CA 1.848 63.345 61.300 0.328 0.000 1.324 442 I CB -0.658 37.452 38.000 0.184 0.000 1.037 442 I HN -0.145 nan 8.210 nan 0.000 0.401 443 D N 0.552 120.990 120.400 0.062 0.000 2.117 443 D HA -0.120 4.401 4.640 -0.198 0.000 0.198 443 D C 2.217 178.476 176.300 -0.068 0.000 0.982 443 D CA 1.154 55.139 54.000 -0.023 0.000 0.828 443 D CB -0.116 40.653 40.800 -0.053 0.000 0.967 443 D HN 0.201 nan 8.370 nan 0.000 0.464 444 K N 0.059 120.392 120.400 -0.111 0.000 2.242 444 K HA 0.171 4.372 4.320 -0.198 0.000 0.200 444 K C 2.101 178.780 176.600 0.132 0.000 1.050 444 K CA 0.307 56.553 56.287 -0.067 0.000 0.981 444 K CB 0.368 32.705 32.500 -0.273 0.000 0.795 444 K HN -0.039 nan 8.250 nan 0.000 0.477 445 S N 0.151 115.880 115.700 0.049 0.000 2.444 445 S HA 0.109 4.460 4.470 -0.198 0.000 0.223 445 S C 1.732 176.214 174.600 -0.196 0.000 1.054 445 S CA 0.376 58.520 58.200 -0.094 0.000 0.947 445 S CB -0.126 62.943 63.200 -0.219 0.000 0.850 445 S HN 0.070 nan 8.310 nan 0.000 0.527 446 F N 2.234 122.217 119.950 0.054 0.000 2.123 446 F HA 0.256 4.664 4.527 -0.198 0.000 0.289 446 F C 2.666 178.448 175.800 -0.031 0.000 1.099 446 F CA 0.547 58.550 58.000 0.005 0.000 1.234 446 F CB -1.218 37.791 39.000 0.016 0.000 1.034 446 F HN 0.149 nan 8.300 nan 0.000 0.479 447 A N 0.854 123.764 122.820 0.151 0.000 1.896 447 A HA -0.222 3.979 4.320 -0.198 0.000 0.220 447 A C -0.190 177.316 177.584 -0.130 0.000 1.206 447 A CA 2.314 54.339 52.037 -0.019 0.000 0.647 447 A CB -2.229 16.719 19.000 -0.086 0.000 0.828 447 A HN 0.267 nan 8.150 nan 0.000 0.455 448 P HA -0.072 nan 4.420 nan 0.000 0.222 448 P C 1.024 178.391 177.300 0.111 0.000 1.147 448 P CA 0.779 63.756 63.100 -0.206 0.000 0.790 448 P CB -0.110 31.563 31.700 -0.044 0.000 0.780 449 L N -2.129 119.145 121.223 0.086 0.000 2.558 449 L HA 0.084 4.305 4.340 -0.198 0.000 0.225 449 L C 0.720 177.546 176.870 -0.074 0.000 1.128 449 L CA 0.044 54.901 54.840 0.028 0.000 0.868 449 L CB -0.319 41.742 42.059 0.003 0.000 1.006 449 L HN -0.047 nan 8.230 nan 0.000 0.454 450 L N 0.684 121.871 121.223 -0.060 0.000 2.265 450 L HA 0.374 4.595 4.340 -0.198 0.000 0.289 450 L C -0.730 176.040 176.870 -0.168 0.000 1.033 450 L CA -0.312 54.456 54.840 -0.121 0.000 0.814 450 L CB 1.772 43.787 42.059 -0.073 0.000 1.203 450 L HN -0.250 nan 8.230 nan 0.000 0.423 451 V N 3.731 123.482 119.914 -0.273 0.000 2.380 451 V HA 0.311 4.312 4.120 -0.198 0.000 0.286 451 V C -0.147 175.849 176.094 -0.162 0.000 1.015 451 V CA -0.739 61.386 62.300 -0.292 0.000 0.834 451 V CB 1.278 32.861 31.823 -0.401 0.000 1.009 451 V HN 0.869 nan 8.190 nan 0.000 0.428 452 N N 4.104 122.754 118.700 -0.084 0.000 2.738 452 N HA -0.202 4.419 4.740 -0.198 0.000 0.249 452 N C 1.197 176.795 175.510 0.147 0.000 1.047 452 N CA 1.548 54.639 53.050 0.067 0.000 0.707 452 N CB -1.011 37.574 38.487 0.163 0.000 0.937 452 N HN 1.532 nan 8.380 nan 0.000 0.545 453 G N -0.685 108.148 108.800 0.054 0.000 2.184 453 G HA2 -0.352 3.489 3.960 -0.198 0.000 0.264 453 G HA3 -0.352 3.489 3.960 -0.198 0.000 0.264 453 G C -0.157 174.686 174.900 -0.096 0.000 0.975 453 G CA 0.776 45.938 45.100 0.104 0.000 0.642 453 G HN 0.688 nan 8.290 nan 0.000 0.536 454 E N -0.129 119.860 120.200 -0.353 0.000 2.166 454 E HA 0.597 4.828 4.350 -0.198 0.000 0.275 454 E C -0.429 175.964 176.600 -0.345 0.000 0.941 454 E CA -1.093 54.954 56.400 -0.590 0.000 0.784 454 E CB 0.841 30.142 29.700 -0.666 0.000 1.115 454 E HN 0.175 nan 8.360 nan 0.000 0.399 455 L N 5.605 126.679 121.223 -0.248 0.000 2.260 455 L HA 0.311 4.532 4.340 -0.198 0.000 0.289 455 L C -0.339 176.424 176.870 -0.180 0.000 1.057 455 L CA 0.053 54.792 54.840 -0.169 0.000 0.811 455 L CB 0.672 42.673 42.059 -0.097 0.000 1.184 455 L HN 0.767 nan 8.230 nan 0.000 0.429 456 M N 4.592 124.049 119.600 -0.238 0.000 2.338 456 M HA -0.063 4.298 4.480 -0.198 0.000 0.360 456 M C 0.875 177.039 176.300 -0.226 0.000 1.547 456 M CA 0.145 55.288 55.300 -0.261 0.000 1.001 456 M CB 0.175 32.615 32.600 -0.267 0.000 2.008 456 M HN 0.587 nan 8.290 nan 0.000 0.464 457 D N 3.296 123.551 120.400 -0.241 0.000 2.182 457 D HA -0.197 4.324 4.640 -0.198 0.000 0.201 457 D C 1.839 178.042 176.300 -0.161 0.000 0.986 457 D CA 1.516 55.453 54.000 -0.104 0.000 0.847 457 D CB -0.176 40.757 40.800 0.221 0.000 0.942 457 D HN 0.749 nan 8.370 nan 0.000 0.467 458 M N 0.109 119.497 119.600 -0.355 0.000 2.623 458 M HA -0.074 4.287 4.480 -0.198 0.000 0.258 458 M C 1.323 177.548 176.300 -0.125 0.000 1.067 458 M CA 1.508 56.714 55.300 -0.156 0.000 1.068 458 M CB -0.066 32.438 32.600 -0.159 0.000 1.409 458 M HN -0.055 nan 8.290 nan 0.000 0.504 459 S N -0.430 115.185 115.700 -0.141 0.000 2.603 459 S HA 0.278 4.629 4.470 -0.198 0.000 0.232 459 S C 1.183 175.744 174.600 -0.064 0.000 1.016 459 S CA -0.836 57.294 58.200 -0.116 0.000 0.976 459 S CB 0.116 63.243 63.200 -0.121 0.000 0.921 459 S HN 0.683 nan 8.310 nan 0.000 0.516 460 R N 1.346 121.799 120.500 -0.078 0.000 2.427 460 R HA 0.369 4.590 4.340 -0.198 0.000 0.262 460 R C 1.633 177.923 176.300 -0.017 0.000 0.943 460 R CA 0.230 56.328 56.100 -0.004 0.000 1.081 460 R CB -0.069 30.212 30.300 -0.031 0.000 1.166 460 R HN 0.468 nan 8.270 nan 0.000 0.534 461 G N 3.237 111.866 108.800 -0.286 0.000 2.672 461 G HA2 -0.457 3.384 3.960 -0.198 0.000 0.324 461 G HA3 -0.457 3.384 3.960 -0.198 0.000 0.324 461 G C 0.765 175.568 174.900 -0.161 0.000 1.286 461 G CA 0.901 45.740 45.100 -0.434 0.000 1.004 461 G HN 0.535 nan 8.290 nan 0.000 0.548 462 R N 0.088 120.590 120.500 0.004 0.000 2.299 462 R HA 0.373 4.594 4.340 -0.198 0.000 0.197 462 R C 2.314 178.577 176.300 -0.063 0.000 0.971 462 R CA 1.466 57.550 56.100 -0.027 0.000 1.030 462 R CB -0.237 30.099 30.300 0.060 0.000 0.932 462 R HN 0.297 nan 8.270 nan 0.000 0.477 463 S N 2.003 117.680 115.700 -0.039 0.000 2.442 463 S HA -0.077 4.274 4.470 -0.198 0.000 0.236 463 S C 1.873 176.414 174.600 -0.098 0.000 1.007 463 S CA 1.344 59.497 58.200 -0.079 0.000 0.965 463 S CB -0.338 62.819 63.200 -0.072 0.000 0.773 463 S HN 0.595 nan 8.310 nan 0.000 0.504 464 I N 0.821 121.278 120.570 -0.188 0.000 2.700 464 I HA -0.079 3.972 4.170 -0.198 0.000 0.261 464 I C 1.766 177.779 176.117 -0.173 0.000 1.219 464 I CA 1.366 62.475 61.300 -0.319 0.000 1.463 464 I CB -0.530 36.933 38.000 -0.896 0.000 1.092 464 I HN 0.224 nan 8.210 nan 0.000 0.452 465 S N 0.314 115.963 115.700 -0.085 0.000 2.593 465 S HA 0.226 4.577 4.470 -0.198 0.000 0.217 465 S C 0.779 175.548 174.600 0.282 0.000 0.966 465 S CA -0.547 57.737 58.200 0.141 0.000 0.914 465 S CB -0.291 62.904 63.200 -0.008 0.000 0.776 465 S HN 0.472 nan 8.310 nan 0.000 0.523 466 R N 0.726 121.265 120.500 0.065 0.000 2.229 466 R HA 0.603 4.824 4.340 -0.198 0.000 0.328 466 R C 1.180 177.135 176.300 -0.575 0.000 1.009 466 R CA 0.195 56.192 56.100 -0.172 0.000 0.864 466 R CB 0.988 31.193 30.300 -0.159 0.000 1.085 466 R HN 0.270 nan 8.270 nan 0.000 0.453 467 A N 3.622 125.777 122.820 -1.109 0.000 1.933 467 A HA -0.210 3.991 4.320 -0.198 0.000 0.218 467 A C 1.365 178.531 177.584 -0.697 0.000 1.175 467 A CA 1.633 52.645 52.037 -1.708 0.000 0.628 467 A CB -0.576 17.378 19.000 -1.743 0.000 0.814 467 A HN 0.960 nan 8.150 nan 0.000 0.444 468 N N -1.390 117.056 118.700 -0.424 0.000 2.362 468 N HA 0.098 4.719 4.740 -0.198 0.000 0.204 468 N C -0.178 175.237 175.510 -0.159 0.000 1.166 468 N CA 0.563 53.478 53.050 -0.224 0.000 0.831 468 N CB 0.274 38.658 38.487 -0.170 0.000 1.008 468 N HN 0.129 nan 8.380 nan 0.000 0.472 469 S N -0.091 115.509 115.700 -0.166 0.000 2.825 469 S HA 0.119 4.470 4.470 -0.198 0.000 0.242 469 S C -0.464 174.124 174.600 -0.020 0.000 0.980 469 S CA -0.684 57.456 58.200 -0.099 0.000 1.107 469 S CB 0.333 63.466 63.200 -0.111 0.000 1.172 469 S HN 0.317 nan 8.310 nan 0.000 0.483 470 E N 0.780 121.002 120.200 0.037 0.000 2.410 470 E HA 0.257 4.488 4.350 -0.198 0.000 0.255 470 E C 1.638 178.301 176.600 0.105 0.000 1.194 470 E CA 0.096 56.606 56.400 0.184 0.000 0.955 470 E CB 0.285 30.160 29.700 0.293 0.000 0.988 470 E HN 0.349 nan 8.360 nan 0.000 0.461 471 G N 0.790 109.689 108.800 0.166 0.000 2.624 471 G HA2 -0.333 3.508 3.960 -0.198 0.000 0.221 471 G HA3 -0.333 3.508 3.960 -0.198 0.000 0.221 471 G C 1.123 175.958 174.900 -0.109 0.000 1.169 471 G CA 1.149 46.269 45.100 0.032 0.000 0.771 471 G HN 0.592 nan 8.290 nan 0.000 0.598 472 H N -0.304 118.734 119.070 -0.053 0.000 2.395 472 H HA 0.009 4.445 4.556 -0.199 0.000 0.299 472 H C 2.857 177.907 175.328 -0.464 0.000 1.070 472 H CA 1.222 57.163 56.048 -0.178 0.000 1.356 472 H CB -0.105 29.606 29.762 -0.086 0.000 1.401 472 H HN 0.274 nan 8.280 nan 0.000 0.524 473 V N 1.188 120.818 119.914 -0.474 0.000 2.307 473 V HA -0.208 3.793 4.120 -0.198 0.000 0.245 473 V C 2.877 178.870 176.094 -0.168 0.000 1.045 473 V CA 1.496 63.534 62.300 -0.437 0.000 1.024 473 V CB -0.990 30.667 31.823 -0.277 0.000 0.651 473 V HN 0.423 nan 8.190 nan 0.000 0.449 474 A N 0.224 122.969 122.820 -0.125 0.000 1.933 474 A HA -0.126 4.075 4.320 -0.198 0.000 0.218 474 A C 2.437 179.968 177.584 -0.087 0.000 1.175 474 A CA 2.095 54.077 52.037 -0.092 0.000 0.628 474 A CB -0.827 18.130 19.000 -0.071 0.000 0.814 474 A HN 0.585 nan 8.150 nan 0.000 0.444 475 A N -0.475 122.289 122.820 -0.093 0.000 1.940 475 A HA -0.051 4.150 4.320 -0.198 0.000 0.219 475 A C 2.151 179.697 177.584 -0.063 0.000 1.176 475 A CA 1.840 53.828 52.037 -0.081 0.000 0.631 475 A CB -0.929 18.018 19.000 -0.089 0.000 0.814 475 A HN 0.462 nan 8.150 nan 0.000 0.446 476 V N -0.232 119.663 119.914 -0.032 0.000 2.594 476 V HA -0.254 3.747 4.120 -0.198 0.000 0.253 476 V C 2.344 178.408 176.094 -0.049 0.000 1.069 476 V CA 2.149 64.445 62.300 -0.007 0.000 1.082 476 V CB -0.748 31.120 31.823 0.076 0.000 0.680 476 V HN 0.695 nan 8.190 nan 0.000 0.469 477 E N -0.018 120.140 120.200 -0.069 0.000 2.077 477 E HA -0.179 4.052 4.350 -0.198 0.000 0.193 477 E C 2.194 178.712 176.600 -0.135 0.000 0.989 477 E CA 1.586 57.932 56.400 -0.091 0.000 0.800 477 E CB -0.004 29.638 29.700 -0.097 0.000 0.746 477 E HN 0.464 nan 8.360 nan 0.000 0.452 478 V N 0.854 120.662 119.914 -0.177 0.000 2.283 478 V HA -0.235 3.766 4.120 -0.198 0.000 0.243 478 V C 2.353 178.305 176.094 -0.235 0.000 1.039 478 V CA 1.331 63.443 62.300 -0.314 0.000 1.016 478 V CB -0.442 31.163 31.823 -0.364 0.000 0.650 478 V HN 0.292 nan 8.190 nan 0.000 0.449 479 L N 0.642 121.779 121.223 -0.144 0.000 2.013 479 L HA -0.239 3.982 4.340 -0.198 0.000 0.212 479 L C 2.876 179.718 176.870 -0.047 0.000 1.073 479 L CA 2.334 57.119 54.840 -0.091 0.000 0.753 479 L CB -0.763 41.258 42.059 -0.064 0.000 0.890 479 L HN 0.438 nan 8.230 nan 0.000 0.432 480 R N 0.066 120.538 120.500 -0.048 0.000 2.152 480 R HA -0.079 4.142 4.340 -0.198 0.000 0.232 480 R C 2.138 178.423 176.300 -0.025 0.000 1.117 480 R CA 1.327 57.413 56.100 -0.022 0.000 0.981 480 R CB -1.013 29.256 30.300 -0.051 0.000 0.870 480 R HN 0.319 nan 8.270 nan 0.000 0.451 481 G N 2.018 110.779 108.800 -0.065 0.000 2.394 481 G HA2 -0.134 3.707 3.960 -0.198 0.000 0.214 481 G HA3 -0.134 3.707 3.960 -0.198 0.000 0.214 481 G C 1.557 176.440 174.900 -0.029 0.000 1.176 481 G CA 0.659 45.725 45.100 -0.057 0.000 0.786 481 G HN 0.195 nan 8.290 nan 0.000 0.533 482 I N 0.139 120.673 120.570 -0.060 0.000 2.208 482 I HA -0.238 3.813 4.170 -0.198 0.000 0.245 482 I C 2.597 178.755 176.117 0.069 0.000 1.097 482 I CA 1.360 62.650 61.300 -0.018 0.000 1.363 482 I CB -0.346 37.621 38.000 -0.054 0.000 1.051 482 I HN 0.152 nan 8.210 nan 0.000 0.413 483 H N 1.725 120.766 119.070 -0.049 0.000 2.353 483 H HA -0.088 4.350 4.556 -0.197 0.000 0.300 483 H C 2.342 177.655 175.328 -0.025 0.000 1.090 483 H CA 1.685 57.711 56.048 -0.038 0.000 1.327 483 H CB -0.047 29.681 29.762 -0.057 0.000 1.383 483 H HN 0.191 nan 8.280 nan 0.000 0.508 484 R N -0.457 120.076 120.500 0.056 0.000 2.096 484 R HA -0.080 4.141 4.340 -0.198 0.000 0.235 484 R C 2.654 178.978 176.300 0.039 0.000 1.127 484 R CA 1.503 57.594 56.100 -0.015 0.000 0.968 484 R CB -0.173 30.113 30.300 -0.022 0.000 0.861 484 R HN 0.332 nan 8.270 nan 0.000 0.440 485 I N 0.448 121.056 120.570 0.063 0.000 2.202 485 I HA -0.246 3.805 4.170 -0.198 0.000 0.242 485 I C 2.624 178.812 176.117 0.119 0.000 1.091 485 I CA 1.185 62.528 61.300 0.073 0.000 1.368 485 I CB -0.407 37.617 38.000 0.040 0.000 1.058 485 I HN 0.173 nan 8.210 nan 0.000 0.410 486 A N 0.398 123.301 122.820 0.138 0.000 1.917 486 A HA -0.337 3.864 4.320 -0.198 0.000 0.219 486 A C 1.991 179.643 177.584 0.115 0.000 1.182 486 A CA 2.490 54.609 52.037 0.138 0.000 0.633 486 A CB -0.846 18.233 19.000 0.132 0.000 0.819 486 A HN 0.471 nan 8.150 nan 0.000 0.448 487 D N -0.241 120.226 120.400 0.112 0.000 2.218 487 D HA -0.154 4.367 4.640 -0.198 0.000 0.204 487 D C 1.924 178.251 176.300 0.045 0.000 0.976 487 D CA 1.657 55.692 54.000 0.058 0.000 0.853 487 D CB -0.201 40.590 40.800 -0.014 0.000 0.939 487 D HN 0.644 nan 8.370 nan 0.000 0.481 488 M N -1.835 117.800 119.600 0.057 0.000 2.428 488 M HA 0.288 4.649 4.480 -0.198 0.000 0.239 488 M C 0.413 176.752 176.300 0.065 0.000 1.121 488 M CA -0.221 55.112 55.300 0.055 0.000 1.019 488 M CB 0.821 33.455 32.600 0.057 0.000 1.485 488 M HN -0.286 nan 8.290 nan 0.000 0.484 489 S N 1.529 117.276 115.700 0.079 0.000 2.623 489 S HA 0.549 4.900 4.470 -0.198 0.000 0.278 489 S C -0.179 174.437 174.600 0.026 0.000 1.148 489 S CA -0.731 57.511 58.200 0.070 0.000 1.028 489 S CB 0.897 64.151 63.200 0.091 0.000 1.145 489 S HN 0.608 nan 8.310 nan 0.000 0.523 490 E N -1.635 118.560 120.200 -0.008 0.000 2.401 490 E HA 0.548 4.779 4.350 -0.198 0.000 0.280 490 E C 0.074 176.651 176.600 -0.037 0.000 1.039 490 E CA -0.803 55.588 56.400 -0.015 0.000 0.814 490 E CB 0.560 30.254 29.700 -0.010 0.000 1.275 490 E HN 0.830 nan 8.360 nan 0.000 0.448 491 G N 2.109 110.892 108.800 -0.028 0.000 2.556 491 G HA2 -0.445 3.396 3.960 -0.198 0.000 0.283 491 G HA3 -0.445 3.396 3.960 -0.198 0.000 0.283 491 G C 0.774 175.647 174.900 -0.044 0.000 1.177 491 G CA 0.811 45.890 45.100 -0.035 0.000 0.978 491 G HN 0.725 nan 8.290 nan 0.000 0.554 492 E N -0.570 119.595 120.200 -0.058 0.000 2.038 492 E HA -0.039 4.192 4.350 -0.198 0.000 0.195 492 E C 2.956 179.506 176.600 -0.084 0.000 1.000 492 E CA 2.526 58.888 56.400 -0.064 0.000 0.803 492 E CB -0.548 29.110 29.700 -0.071 0.000 0.750 492 E HN 0.550 nan 8.360 nan 0.000 0.448 493 T N 0.554 115.029 114.554 -0.132 0.000 2.665 493 T HA -0.265 3.966 4.350 -0.198 0.000 0.268 493 T C 1.815 176.459 174.700 -0.094 0.000 1.035 493 T CA 1.848 63.834 62.100 -0.190 0.000 1.151 493 T CB -0.282 68.368 68.868 -0.362 0.000 0.862 493 T HN 0.169 nan 8.240 nan 0.000 0.438 494 K N 0.669 121.036 120.400 -0.055 0.000 2.026 494 K HA -0.134 4.068 4.320 -0.198 0.000 0.208 494 K C 2.491 179.086 176.600 -0.007 0.000 1.048 494 K CA 1.319 57.604 56.287 -0.004 0.000 0.929 494 K CB -0.121 32.383 32.500 0.006 0.000 0.713 494 K HN 0.339 nan 8.250 nan 0.000 0.439 495 Q N 0.337 120.124 119.800 -0.022 0.000 2.002 495 Q HA -0.225 3.996 4.340 -0.198 0.000 0.204 495 Q C 2.195 178.179 176.000 -0.027 0.000 0.988 495 Q CA 2.500 58.291 55.803 -0.021 0.000 0.843 495 Q CB -0.146 28.578 28.738 -0.024 0.000 0.908 495 Q HN 0.429 nan 8.270 nan 0.000 0.420 496 R N 0.176 120.655 120.500 -0.034 0.000 2.120 496 R HA -0.120 4.101 4.340 -0.198 0.000 0.234 496 R C 2.097 178.381 176.300 -0.028 0.000 1.123 496 R CA 1.322 57.403 56.100 -0.032 0.000 0.975 496 R CB -0.607 29.671 30.300 -0.038 0.000 0.866 496 R HN 0.215 nan 8.270 nan 0.000 0.446 497 L N 0.910 122.122 121.223 -0.019 0.000 2.056 497 L HA -0.134 4.087 4.340 -0.198 0.000 0.207 497 L C 2.777 179.615 176.870 -0.053 0.000 1.078 497 L CA 1.509 56.345 54.840 -0.007 0.000 0.749 497 L CB -0.519 41.566 42.059 0.043 0.000 0.901 497 L HN 0.332 nan 8.230 nan 0.000 0.433 498 Q N -0.483 119.281 119.800 -0.060 0.000 2.061 498 Q HA -0.193 4.028 4.340 -0.198 0.000 0.204 498 Q C 2.411 178.341 176.000 -0.117 0.000 0.984 498 Q CA 1.935 57.666 55.803 -0.121 0.000 0.846 498 Q CB -0.141 28.559 28.738 -0.063 0.000 0.902 498 Q HN 0.418 nan 8.270 nan 0.000 0.421 499 S N 0.925 116.585 115.700 -0.066 0.000 2.382 499 S HA -0.135 4.216 4.470 -0.198 0.000 0.228 499 S C 1.809 176.377 174.600 -0.053 0.000 1.027 499 S CA 0.820 58.990 58.200 -0.050 0.000 0.991 499 S CB -0.239 62.944 63.200 -0.028 0.000 0.823 499 S HN 0.223 nan 8.310 nan 0.000 0.469 500 L N 1.920 123.111 121.223 -0.053 0.000 1.994 500 L HA -0.048 4.173 4.340 -0.198 0.000 0.208 500 L C 2.220 179.048 176.870 -0.071 0.000 1.071 500 L CA 1.670 56.481 54.840 -0.048 0.000 0.745 500 L CB -0.827 41.210 42.059 -0.036 0.000 0.892 500 L HN 0.128 nan 8.230 nan 0.000 0.431 501 V N -0.189 119.657 119.914 -0.114 0.000 2.295 501 V HA -0.320 3.681 4.120 -0.198 0.000 0.246 501 V C 2.638 178.652 176.094 -0.133 0.000 1.049 501 V CA 2.129 64.338 62.300 -0.152 0.000 1.024 501 V CB -0.704 30.942 31.823 -0.295 0.000 0.648 501 V HN 0.501 nan 8.190 nan 0.000 0.447 502 K N -0.349 119.968 120.400 -0.138 0.000 2.001 502 K HA -0.271 3.930 4.320 -0.198 0.000 0.214 502 K C 2.402 178.975 176.600 -0.045 0.000 1.050 502 K CA 2.315 58.549 56.287 -0.088 0.000 0.934 502 K CB -0.564 31.893 32.500 -0.070 0.000 0.718 502 K HN 0.467 nan 8.250 nan 0.000 0.443 503 T N 0.615 115.149 114.554 -0.033 0.000 2.759 503 T HA -0.117 4.114 4.350 -0.198 0.000 0.269 503 T C 1.853 176.550 174.700 -0.005 0.000 1.042 503 T CA 1.522 63.617 62.100 -0.009 0.000 1.140 503 T CB -0.172 68.696 68.868 -0.000 0.000 0.864 503 T HN 0.236 nan 8.240 nan 0.000 0.455 504 I N 0.488 121.046 120.570 -0.021 0.000 2.142 504 I HA -0.130 3.921 4.170 -0.198 0.000 0.240 504 I C 2.543 178.665 176.117 0.009 0.000 1.078 504 I CA 0.995 62.286 61.300 -0.016 0.000 1.343 504 I CB -0.399 37.580 38.000 -0.034 0.000 1.046 504 I HN 0.123 nan 8.210 nan 0.000 0.405 505 V N 0.460 120.369 119.914 -0.009 0.000 2.332 505 V HA -0.314 3.687 4.120 -0.198 0.000 0.248 505 V C 2.342 178.451 176.094 0.026 0.000 1.055 505 V CA 1.865 64.166 62.300 0.002 0.000 1.038 505 V CB -0.737 31.057 31.823 -0.048 0.000 0.651 505 V HN 0.501 nan 8.190 nan 0.000 0.450 506 Q N 0.047 119.858 119.800 0.019 0.000 2.297 506 Q HA -0.098 4.123 4.340 -0.198 0.000 0.204 506 Q C 2.310 178.341 176.000 0.053 0.000 0.962 506 Q CA 1.453 57.276 55.803 0.034 0.000 0.879 506 Q CB -0.153 28.600 28.738 0.025 0.000 0.947 506 Q HN 0.807 nan 8.270 nan 0.000 0.462 507 S N -0.076 115.658 115.700 0.058 0.000 2.527 507 S HA -0.051 4.300 4.470 -0.198 0.000 0.222 507 S C 0.568 175.237 174.600 0.113 0.000 0.985 507 S CA 0.059 58.306 58.200 0.078 0.000 0.921 507 S CB 0.171 63.409 63.200 0.063 0.000 0.772 507 S HN 0.075 nan 8.310 nan 0.000 0.529 508 D N 2.633 123.108 120.400 0.125 0.000 2.422 508 D HA 0.278 4.799 4.640 -0.198 0.000 0.227 508 D C 0.891 177.273 176.300 0.137 0.000 1.190 508 D CA 0.015 54.124 54.000 0.182 0.000 0.905 508 D CB 1.164 42.105 40.800 0.234 0.000 1.034 508 D HN 0.376 nan 8.370 nan 0.000 0.507 509 S N 2.714 118.499 115.700 0.142 0.000 2.575 509 S HA -0.075 4.276 4.470 -0.198 0.000 0.215 509 S C 1.470 176.139 174.600 0.115 0.000 0.966 509 S CA -0.204 58.060 58.200 0.107 0.000 0.911 509 S CB -0.148 63.114 63.200 0.103 0.000 0.780 509 S HN 0.567 nan 8.310 nan 0.000 0.514 510 Y N 1.036 121.321 120.300 -0.024 0.000 2.464 510 Y HA 0.403 4.834 4.550 -0.198 0.000 0.288 510 Y C 0.213 176.088 175.900 -0.042 0.000 1.133 510 Y CA -0.415 57.636 58.100 -0.082 0.000 1.223 510 Y CB 0.150 38.481 38.460 -0.214 0.000 1.187 510 Y HN 0.296 nan 8.280 nan 0.000 0.539 511 Y N 1.958 122.055 120.300 -0.338 0.000 2.352 511 Y HA 0.347 4.778 4.550 -0.199 0.000 0.339 511 Y C -0.888 174.946 175.900 -0.110 0.000 0.992 511 Y CA -1.858 56.051 58.100 -0.318 0.000 1.100 511 Y CB 0.775 39.157 38.460 -0.131 0.000 1.192 511 Y HN 0.078 nan 8.280 nan 0.000 0.458 512 D N 5.104 125.099 120.400 -0.673 0.000 2.374 512 D HA -0.004 4.517 4.640 -0.198 0.000 0.240 512 D C 1.004 176.962 176.300 -0.570 0.000 1.229 512 D CA 0.324 54.057 54.000 -0.444 0.000 0.895 512 D CB 1.116 41.725 40.800 -0.318 0.000 1.046 512 D HN 0.571 nan 8.370 nan 0.000 0.498 513 V N 4.766 124.530 119.914 -0.250 0.000 2.511 513 V HA -0.282 3.719 4.120 -0.198 0.000 0.257 513 V C 1.557 177.494 176.094 -0.262 0.000 1.088 513 V CA 1.775 63.962 62.300 -0.188 0.000 1.098 513 V CB -0.680 31.000 31.823 -0.238 0.000 0.674 513 V HN 0.569 nan 8.190 nan 0.000 0.470 514 F N 0.088 119.962 119.950 -0.127 0.000 2.502 514 F HA 0.028 4.436 4.527 -0.199 0.000 0.298 514 F C 2.230 177.978 175.800 -0.087 0.000 1.111 514 F CA 1.042 58.996 58.000 -0.078 0.000 1.445 514 F CB -0.330 38.630 39.000 -0.067 0.000 1.081 514 F HN 0.108 nan 8.300 nan 0.000 0.558 515 K N -0.271 120.101 120.400 -0.047 0.000 2.360 515 K HA -0.149 4.053 4.320 -0.198 0.000 0.201 515 K C 0.653 177.306 176.600 0.089 0.000 1.046 515 K CA 0.935 57.199 56.287 -0.038 0.000 0.945 515 K CB -0.197 32.162 32.500 -0.235 0.000 0.750 515 K HN 0.096 nan 8.250 nan 0.000 0.464 516 N N 0.425 119.195 118.700 0.117 0.000 2.517 516 N HA 0.158 4.779 4.740 -0.198 0.000 0.285 516 N C -1.495 174.038 175.510 0.039 0.000 1.528 516 N CA -0.055 53.063 53.050 0.112 0.000 0.892 516 N CB 0.457 39.054 38.487 0.185 0.000 1.356 516 N HN -0.047 nan 8.380 nan 0.000 0.495 517 L N 1.492 122.732 121.223 0.029 0.000 2.353 517 L HA 0.425 4.646 4.340 -0.198 0.000 0.270 517 L C 0.329 177.205 176.870 0.011 0.000 1.003 517 L CA -0.486 54.355 54.840 0.002 0.000 0.862 517 L CB 1.335 43.395 42.059 0.003 0.000 1.221 517 L HN -0.094 nan 8.230 nan 0.000 0.430 518 K N 1.581 121.956 120.400 -0.041 0.000 2.570 518 K HA 0.223 4.424 4.320 -0.198 0.000 0.210 518 K C 0.260 176.758 176.600 -0.171 0.000 1.048 518 K CA -0.072 56.165 56.287 -0.083 0.000 1.167 518 K CB 0.487 32.939 32.500 -0.080 0.000 0.892 518 K HN 0.598 nan 8.250 nan 0.000 0.480 519 T N -3.715 110.731 114.554 -0.179 0.000 2.894 519 T HA 0.352 4.583 4.350 -0.198 0.000 0.309 519 T C 0.494 175.081 174.700 -0.188 0.000 1.208 519 T CA -0.708 61.219 62.100 -0.289 0.000 1.016 519 T CB 0.725 69.469 68.868 -0.206 0.000 1.192 519 T HN -0.062 nan 8.240 nan 0.000 0.491 520 Y N 0.678 121.025 120.300 0.077 0.000 2.293 520 Y HA 0.141 4.570 4.550 -0.201 0.000 0.291 520 Y C 2.562 178.460 175.900 -0.004 0.000 1.137 520 Y CA 0.632 58.798 58.100 0.110 0.000 1.202 520 Y CB -0.343 38.257 38.460 0.234 0.000 0.990 520 Y HN 0.507 nan 8.280 nan 0.000 0.537 521 K N 0.574 120.979 120.400 0.007 0.000 2.097 521 K HA -0.136 4.065 4.320 -0.198 0.000 0.205 521 K C 1.314 177.787 176.600 -0.211 0.000 1.050 521 K CA 1.252 57.348 56.287 -0.317 0.000 0.938 521 K CB -0.362 31.903 32.500 -0.391 0.000 0.718 521 K HN 0.322 nan 8.250 nan 0.000 0.442 522 D N 0.417 120.742 120.400 -0.125 0.000 2.144 522 D HA -0.073 4.448 4.640 -0.198 0.000 0.200 522 D C 2.050 178.332 176.300 -0.030 0.000 0.978 522 D CA 0.726 54.659 54.000 -0.113 0.000 0.833 522 D CB 0.026 40.770 40.800 -0.092 0.000 0.961 522 D HN 0.206 nan 8.370 nan 0.000 0.470 523 I N 0.539 121.157 120.570 0.079 0.000 2.202 523 I HA -0.241 3.810 4.170 -0.198 0.000 0.242 523 I C 2.578 178.829 176.117 0.222 0.000 1.091 523 I CA 0.793 62.251 61.300 0.265 0.000 1.368 523 I CB -0.183 37.997 38.000 0.300 0.000 1.058 523 I HN -0.063 nan 8.210 nan 0.000 0.410 524 S N 1.140 116.890 115.700 0.084 0.000 2.359 524 S HA -0.178 4.173 4.470 -0.198 0.000 0.224 524 S C 2.129 176.725 174.600 -0.007 0.000 1.035 524 S CA 1.361 59.574 58.200 0.021 0.000 1.018 524 S CB -0.406 62.757 63.200 -0.062 0.000 0.876 524 S HN 0.336 nan 8.310 nan 0.000 0.448 525 L N 0.276 121.437 121.223 -0.103 0.000 2.042 525 L HA -0.113 4.108 4.340 -0.198 0.000 0.210 525 L C 2.771 179.661 176.870 0.032 0.000 1.076 525 L CA 1.798 56.530 54.840 -0.180 0.000 0.749 525 L CB -0.432 41.322 42.059 -0.508 0.000 0.893 525 L HN 0.428 nan 8.230 nan 0.000 0.432 526 M N -0.563 119.085 119.600 0.080 0.000 2.229 526 M HA -0.196 4.165 4.480 -0.198 0.000 0.264 526 M C 2.144 178.571 176.300 0.212 0.000 1.063 526 M CA 1.738 57.134 55.300 0.161 0.000 1.114 526 M CB -0.283 32.257 32.600 -0.101 0.000 1.387 526 M HN 0.142 nan 8.290 nan 0.000 0.420 527 Q N -0.885 119.078 119.800 0.272 0.000 2.046 527 Q HA -0.142 4.079 4.340 -0.198 0.000 0.200 527 Q C 2.147 178.227 176.000 0.134 0.000 0.975 527 Q CA 2.125 58.074 55.803 0.243 0.000 0.836 527 Q CB -0.344 28.490 28.738 0.161 0.000 0.896 527 Q HN 0.752 nan 8.270 nan 0.000 0.428 528 S N 0.633 116.394 115.700 0.101 0.000 2.402 528 S HA -0.151 4.200 4.470 -0.198 0.000 0.229 528 S C 1.928 176.576 174.600 0.081 0.000 1.021 528 S CA 0.929 59.172 58.200 0.072 0.000 0.974 528 S CB -0.315 62.916 63.200 0.051 0.000 0.800 528 S HN 0.329 nan 8.310 nan 0.000 0.484 529 L N 1.263 122.558 121.223 0.120 0.000 2.027 529 L HA 0.157 4.378 4.340 -0.198 0.000 0.206 529 L C 2.323 179.217 176.870 0.040 0.000 1.074 529 L CA 1.638 56.528 54.840 0.084 0.000 0.745 529 L CB -0.533 41.580 42.059 0.089 0.000 0.898 529 L HN 0.350 nan 8.230 nan 0.000 0.433 530 L N -0.572 120.687 121.223 0.059 0.000 2.201 530 L HA -0.118 4.103 4.340 -0.198 0.000 0.212 530 L C 2.490 179.388 176.870 0.046 0.000 1.105 530 L CA 1.262 56.132 54.840 0.050 0.000 0.775 530 L CB -0.633 41.478 42.059 0.087 0.000 0.913 530 L HN 0.555 nan 8.230 nan 0.000 0.440 531 S N -2.518 113.213 115.700 0.051 0.000 2.503 531 S HA -0.046 4.305 4.470 -0.198 0.000 0.217 531 S C 0.848 175.463 174.600 0.026 0.000 0.999 531 S CA -0.302 57.919 58.200 0.036 0.000 0.914 531 S CB -0.140 63.080 63.200 0.034 0.000 0.782 531 S HN 0.263 nan 8.310 nan 0.000 0.520 532 D N 2.132 122.549 120.400 0.028 0.000 2.344 532 D HA 0.443 4.964 4.640 -0.198 0.000 0.253 532 D C 1.095 177.404 176.300 0.014 0.000 1.255 532 D CA 0.235 54.247 54.000 0.020 0.000 0.894 532 D CB 1.164 41.978 40.800 0.024 0.000 1.067 532 D HN 0.254 nan 8.370 nan 0.000 0.492 533 A N 3.381 126.208 122.820 0.011 0.000 2.067 533 A HA 0.013 4.214 4.320 -0.198 0.000 0.219 533 A C 2.021 179.609 177.584 0.006 0.000 1.158 533 A CA 1.260 53.302 52.037 0.009 0.000 0.661 533 A CB -0.336 18.669 19.000 0.008 0.000 0.801 533 A HN 0.616 nan 8.150 nan 0.000 0.452 534 G N -0.852 107.952 108.800 0.006 0.000 2.509 534 G HA2 0.170 4.011 3.960 -0.198 0.000 0.218 534 G HA3 0.170 4.011 3.960 -0.198 0.000 0.218 534 G C 0.454 175.355 174.900 0.001 0.000 1.124 534 G CA 0.773 45.875 45.100 0.004 0.000 0.776 534 G HN 0.280 nan 8.290 nan 0.000 0.547 535 V N 1.724 121.639 119.914 0.001 0.000 2.348 535 V HA 0.591 4.592 4.120 -0.198 0.000 0.270 535 V C 0.734 176.824 176.094 -0.007 0.000 1.037 535 V CA -1.121 61.176 62.300 -0.006 0.000 0.872 535 V CB 0.527 32.343 31.823 -0.011 0.000 1.002 535 V HN 0.395 nan 8.190 nan 0.000 0.464 536 A N 4.151 126.966 122.820 -0.007 0.000 2.498 536 A HA 0.436 4.637 4.320 -0.198 0.000 0.239 536 A C 0.632 178.212 177.584 -0.006 0.000 1.068 536 A CA 0.244 52.279 52.037 -0.004 0.000 0.766 536 A CB 0.406 19.405 19.000 -0.002 0.000 1.003 536 A HN 0.891 nan 8.150 nan 0.000 0.497 537 S N 2.309 118.009 115.700 0.001 0.000 2.259 537 S HA 0.486 4.837 4.470 -0.198 0.000 0.181 537 S C -0.889 173.718 174.600 0.013 0.000 1.589 537 S CA -0.496 57.706 58.200 0.002 0.000 1.234 537 S CB -0.194 63.008 63.200 0.003 0.000 1.119 537 S HN 0.653 nan 8.310 nan 0.000 0.458 538 V N 5.481 125.404 119.914 0.016 0.000 2.483 538 V HA 0.523 4.524 4.120 -0.198 0.000 0.295 538 V C -2.154 173.964 176.094 0.040 0.000 1.035 538 V CA -2.065 60.252 62.300 0.027 0.000 0.896 538 V CB 1.471 33.309 31.823 0.025 0.000 0.986 538 V HN 0.603 nan 8.190 nan 0.000 0.447 539 P HA 0.098 nan 4.420 nan 0.000 0.264 539 P C -0.260 177.099 177.300 0.099 0.000 1.183 539 P CA -0.018 63.130 63.100 0.079 0.000 0.763 539 P CB 0.267 32.022 31.700 0.090 0.000 0.807 540 R N 1.161 121.732 120.500 0.119 0.000 2.643 540 R HA 0.247 4.468 4.340 -0.198 0.000 0.270 540 R C 0.718 177.163 176.300 0.243 0.000 1.061 540 R CA -0.270 55.923 56.100 0.156 0.000 1.107 540 R CB -0.335 30.050 30.300 0.143 0.000 0.999 540 R HN 0.350 nan 8.270 nan 0.000 0.460 541 T N 0.394 115.073 114.554 0.207 0.000 2.788 541 T HA 0.101 4.332 4.350 -0.198 0.000 0.280 541 T C 0.245 175.083 174.700 0.229 0.000 0.984 541 T CA -0.396 61.805 62.100 0.169 0.000 0.972 541 T CB 0.752 69.684 68.868 0.107 0.000 1.039 541 T HN 0.565 nan 8.240 nan 0.000 0.530 542 S N 1.611 117.344 115.700 0.055 0.000 2.572 542 S HA 0.455 4.806 4.470 -0.198 0.000 0.279 542 S C -1.044 173.599 174.600 0.073 0.000 1.341 542 S CA -0.126 58.029 58.200 -0.076 0.000 1.043 542 S CB -0.206 62.892 63.200 -0.170 0.000 0.887 542 S HN 0.659 nan 8.310 nan 0.000 0.516 543 Y N -0.277 120.056 120.300 0.056 0.000 2.641 543 Y HA 0.724 5.155 4.550 -0.198 0.000 0.333 543 Y C -1.679 174.233 175.900 0.021 0.000 1.174 543 Y CA -1.485 56.635 58.100 0.035 0.000 1.057 543 Y CB 0.974 39.462 38.460 0.047 0.000 1.322 543 Y HN 0.505 nan 8.280 nan 0.000 0.457 544 L N 2.530 123.886 121.223 0.222 0.000 2.491 544 L HA 0.651 4.872 4.340 -0.198 0.000 0.267 544 L C -1.310 175.575 176.870 0.024 0.000 0.971 544 L CA -0.352 54.555 54.840 0.111 0.000 0.857 544 L CB 1.878 43.955 42.059 0.030 0.000 1.226 544 L HN 0.828 nan 8.230 nan 0.000 0.408 545 S N 3.301 118.954 115.700 -0.077 0.000 2.433 545 S HA 0.663 5.014 4.470 -0.198 0.000 0.310 545 S C 0.036 174.282 174.600 -0.590 0.000 1.097 545 S CA -0.443 57.490 58.200 -0.444 0.000 1.103 545 S CB 1.537 64.256 63.200 -0.802 0.000 0.992 545 S HN 0.649 nan 8.310 nan 0.000 0.469 546 A N 3.803 126.349 122.820 -0.458 0.000 2.621 546 A HA 0.541 4.742 4.320 -0.198 0.000 0.329 546 A C -0.543 176.856 177.584 -0.308 0.000 1.458 546 A CA -0.468 51.367 52.037 -0.336 0.000 1.052 546 A CB -0.597 18.247 19.000 -0.260 0.000 1.142 546 A HN 0.684 nan 8.150 nan 0.000 0.523 547 F N 2.215 122.129 119.950 -0.059 0.000 2.626 547 F HA 0.149 4.557 4.527 -0.198 0.000 0.353 547 F C 1.303 177.048 175.800 -0.091 0.000 1.230 547 F CA -0.680 57.284 58.000 -0.060 0.000 1.298 547 F CB -0.310 38.663 39.000 -0.044 0.000 1.670 547 F HN 0.551 nan 8.300 nan 0.000 0.633 548 N N 1.010 119.716 118.700 0.010 0.000 2.381 548 N HA -0.119 4.502 4.740 -0.198 0.000 0.182 548 N C 1.667 177.167 175.510 -0.016 0.000 1.025 548 N CA 0.765 53.797 53.050 -0.031 0.000 0.888 548 N CB 0.173 38.580 38.487 -0.134 0.000 0.965 548 N HN 0.280 nan 8.380 nan 0.000 0.438 549 K N 0.755 121.114 120.400 -0.068 0.000 2.525 549 K HA 0.052 4.253 4.320 -0.198 0.000 0.192 549 K C 1.463 177.871 176.600 -0.320 0.000 1.029 549 K CA 0.293 56.421 56.287 -0.266 0.000 1.029 549 K CB 0.024 32.186 32.500 -0.564 0.000 0.814 549 K HN 0.460 nan 8.250 nan 0.000 0.503 550 M N -2.116 117.398 119.600 -0.143 0.000 2.414 550 M HA 0.252 4.613 4.480 -0.198 0.000 0.393 550 M C -1.155 175.140 176.300 -0.008 0.000 1.055 550 M CA -0.129 55.105 55.300 -0.110 0.000 0.937 550 M CB 0.689 33.199 32.600 -0.149 0.000 1.631 550 M HN -0.209 nan 8.290 nan 0.000 0.567 551 D N 2.230 122.642 120.400 0.020 0.000 2.701 551 D HA -0.118 4.403 4.640 -0.198 0.000 0.235 551 D C -0.720 175.617 176.300 0.061 0.000 1.155 551 D CA 1.093 55.123 54.000 0.050 0.000 0.649 551 D CB -0.450 40.398 40.800 0.081 0.000 1.050 551 D HN 0.496 nan 8.370 nan 0.000 0.425 552 K N -0.194 120.263 120.400 0.096 0.000 2.385 552 K HA 0.661 4.862 4.320 -0.198 0.000 0.248 552 K C 0.044 176.735 176.600 0.152 0.000 0.955 552 K CA -0.518 55.841 56.287 0.120 0.000 0.816 552 K CB 2.215 34.804 32.500 0.148 0.000 1.250 552 K HN -0.135 nan 8.250 nan 0.000 0.434 553 T N 0.589 115.186 114.554 0.072 0.000 3.011 553 T HA 0.578 4.809 4.350 -0.198 0.000 0.303 553 T C -1.240 173.489 174.700 0.048 0.000 0.997 553 T CA -0.641 61.460 62.100 0.003 0.000 1.007 553 T CB 1.561 70.406 68.868 -0.037 0.000 1.017 553 T HN 0.592 nan 8.240 nan 0.000 0.443 554 A N 4.221 127.072 122.820 0.051 0.000 2.318 554 A HA 0.894 5.095 4.320 -0.198 0.000 0.324 554 A C -0.492 177.209 177.584 0.195 0.000 1.170 554 A CA -0.742 51.395 52.037 0.167 0.000 0.810 554 A CB 1.070 20.238 19.000 0.280 0.000 1.198 554 A HN 0.834 nan 8.150 nan 0.000 0.484 555 M N 2.927 122.677 119.600 0.250 0.000 2.457 555 M HA 0.655 5.016 4.480 -0.198 0.000 0.300 555 M C -2.335 173.991 176.300 0.043 0.000 1.141 555 M CA -0.645 54.752 55.300 0.163 0.000 0.901 555 M CB 2.094 34.871 32.600 0.294 0.000 1.687 555 M HN 0.802 nan 8.290 nan 0.000 0.449 556 Y N 3.395 123.402 120.300 -0.488 0.000 2.396 556 Y HA 0.405 4.836 4.550 -0.198 0.000 0.332 556 Y C -1.706 173.836 175.900 -0.597 0.000 1.034 556 Y CA -0.839 56.884 58.100 -0.628 0.000 1.057 556 Y CB 1.660 39.519 38.460 -1.001 0.000 1.220 556 Y HN 0.817 nan 8.280 nan 0.000 0.440 557 N N 4.217 122.090 118.700 -1.379 0.000 2.501 557 N HA 0.525 5.146 4.740 -0.198 0.000 0.245 557 N C 0.327 175.077 175.510 -1.266 0.000 0.974 557 N CA 0.361 52.729 53.050 -1.136 0.000 0.941 557 N CB 1.362 39.152 38.487 -1.162 0.000 1.122 557 N HN 0.813 nan 8.380 nan 0.000 0.507 558 A N 3.004 125.298 122.820 -0.877 0.000 1.968 558 A HA -0.133 4.068 4.320 -0.198 0.000 0.217 558 A C 1.892 179.336 177.584 -0.233 0.000 1.169 558 A CA 1.030 52.789 52.037 -0.464 0.000 0.638 558 A CB -0.406 18.541 19.000 -0.089 0.000 0.812 558 A HN 0.873 nan 8.150 nan 0.000 0.446 559 E N -0.116 119.954 120.200 -0.216 0.000 2.031 559 E HA -0.218 4.013 4.350 -0.198 0.000 0.193 559 E C 1.671 178.227 176.600 -0.073 0.000 0.994 559 E CA 1.550 57.885 56.400 -0.107 0.000 0.800 559 E CB -0.089 29.558 29.700 -0.088 0.000 0.752 559 E HN 0.474 nan 8.360 nan 0.000 0.447 560 K N -1.037 119.304 120.400 -0.099 0.000 2.379 560 K HA 0.142 4.343 4.320 -0.198 0.000 0.194 560 K C 0.598 177.235 176.600 0.062 0.000 1.031 560 K CA 0.607 56.914 56.287 0.034 0.000 1.037 560 K CB 0.823 33.431 32.500 0.180 0.000 0.824 560 K HN 0.330 nan 8.250 nan 0.000 0.516 561 G N 1.637 110.371 108.800 -0.109 0.000 2.246 561 G HA2 -0.256 3.585 3.960 -0.198 0.000 0.273 561 G HA3 -0.256 3.585 3.960 -0.198 0.000 0.273 561 G C -0.221 174.790 174.900 0.184 0.000 1.055 561 G CA 0.545 45.647 45.100 0.003 0.000 0.851 561 G HN 0.322 nan 8.290 nan 0.000 0.500 562 F N -0.950 119.005 119.950 0.009 0.000 2.577 562 F HA 0.888 5.296 4.527 -0.198 0.000 0.318 562 F C 0.290 176.256 175.800 0.276 0.000 1.065 562 F CA -1.572 56.532 58.000 0.174 0.000 0.929 562 F CB 1.362 40.437 39.000 0.125 0.000 1.237 562 F HN 0.358 nan 8.300 nan 0.000 0.468 563 G N 1.137 110.348 108.800 0.685 0.000 2.453 563 G HA2 0.628 4.470 3.960 -0.198 0.000 0.323 563 G HA3 0.628 4.470 3.960 -0.198 0.000 0.323 563 G C -2.493 172.912 174.900 0.841 0.000 1.198 563 G CA -0.824 44.664 45.100 0.647 0.000 0.959 563 G HN 0.845 nan 8.290 nan 0.000 0.482 564 F N 0.999 121.257 119.950 0.513 0.000 2.574 564 F HA 0.692 5.100 4.527 -0.198 0.000 0.313 564 F C -0.050 175.989 175.800 0.399 0.000 1.130 564 F CA -0.777 57.522 58.000 0.498 0.000 0.936 564 F CB 2.210 41.485 39.000 0.458 0.000 1.219 564 F HN 0.733 nan 8.300 nan 0.000 0.445 565 G N 5.762 114.423 108.800 -0.232 0.000 2.530 565 G HA2 0.569 4.410 3.960 -0.198 0.000 0.316 565 G HA3 0.569 4.410 3.960 -0.198 0.000 0.316 565 G C -2.485 172.120 174.900 -0.491 0.000 1.298 565 G CA -0.697 44.274 45.100 -0.216 0.000 0.948 565 G HN 0.660 nan 8.290 nan 0.000 0.486 566 L N 2.254 123.239 121.223 -0.397 0.000 2.298 566 L HA 0.710 4.931 4.340 -0.198 0.000 0.284 566 L C 0.103 176.880 176.870 -0.156 0.000 1.013 566 L CA -0.631 53.976 54.840 -0.389 0.000 0.824 566 L CB 1.847 43.628 42.059 -0.464 0.000 1.221 566 L HN 0.380 nan 8.230 nan 0.000 0.418 567 S N 5.951 121.624 115.700 -0.045 0.000 2.438 567 S HA 0.830 5.181 4.470 -0.198 0.000 0.316 567 S C -0.553 174.106 174.600 0.098 0.000 1.084 567 S CA -0.518 57.728 58.200 0.076 0.000 1.107 567 S CB 0.004 63.338 63.200 0.224 0.000 0.981 567 S HN 0.575 nan 8.310 nan 0.000 0.466 568 L N 3.572 124.871 121.223 0.127 0.000 2.223 568 L HA 0.857 5.078 4.340 -0.198 0.000 0.243 568 L C -0.920 176.189 176.870 0.398 0.000 1.105 568 L CA -1.302 53.694 54.840 0.260 0.000 0.943 568 L CB 1.316 43.454 42.059 0.133 0.000 1.542 568 L HN 0.674 nan 8.230 nan 0.000 0.437 569 F N -1.119 118.922 119.950 0.152 0.000 2.741 569 F HA 0.848 5.256 4.527 -0.198 0.000 0.313 569 F C -0.667 175.224 175.800 0.152 0.000 1.153 569 F CA -0.539 57.541 58.000 0.133 0.000 0.931 569 F CB 1.177 40.269 39.000 0.152 0.000 1.335 569 F HN 0.610 nan 8.300 nan 0.000 0.460 570 S N -0.444 115.248 115.700 -0.014 0.000 2.973 570 S HA 0.425 4.776 4.470 -0.198 0.000 0.317 570 S C 0.403 174.998 174.600 -0.009 0.000 1.196 570 S CA -0.022 58.097 58.200 -0.135 0.000 0.894 570 S CB 0.576 63.762 63.200 -0.024 0.000 1.292 570 S HN 1.536 nan 8.310 nan 0.000 0.614 571 S N 0.344 116.047 115.700 0.005 0.000 2.474 571 S HA -0.020 4.331 4.470 -0.198 0.000 0.235 571 S C 1.369 176.010 174.600 0.068 0.000 0.997 571 S CA 0.599 58.828 58.200 0.048 0.000 0.949 571 S CB -0.614 62.609 63.200 0.037 0.000 0.766 571 S HN 0.665 nan 8.310 nan 0.000 0.517 572 R N 1.293 121.830 120.500 0.063 0.000 2.280 572 R HA 0.180 4.401 4.340 -0.198 0.000 0.195 572 R C 0.187 176.528 176.300 0.069 0.000 0.935 572 R CA 0.873 57.008 56.100 0.057 0.000 1.033 572 R CB 0.295 30.617 30.300 0.036 0.000 0.964 572 R HN 0.642 nan 8.270 nan 0.000 0.489 573 T N -2.150 112.480 114.554 0.127 0.000 2.900 573 T HA 0.393 4.624 4.350 -0.198 0.000 0.303 573 T C -0.804 174.048 174.700 0.254 0.000 1.142 573 T CA -0.952 61.235 62.100 0.146 0.000 1.007 573 T CB 1.871 70.819 68.868 0.134 0.000 1.156 573 T HN -0.129 nan 8.240 nan 0.000 0.490 574 L N 3.097 124.400 121.223 0.133 0.000 2.380 574 L HA 0.336 4.557 4.340 -0.198 0.000 0.273 574 L C 1.477 178.319 176.870 -0.047 0.000 1.138 574 L CA -0.183 54.696 54.840 0.065 0.000 0.832 574 L CB 0.559 42.600 42.059 -0.031 0.000 1.124 574 L HN 0.877 nan 8.230 nan 0.000 0.454 575 N N 2.899 121.371 118.700 -0.379 0.000 2.080 575 N HA -0.113 4.508 4.740 -0.198 0.000 0.189 575 N C -0.392 175.026 175.510 -0.152 0.000 1.036 575 N CA 1.619 54.230 53.050 -0.732 0.000 0.846 575 N CB -0.478 37.137 38.487 -1.453 0.000 1.015 575 N HN 0.588 nan 8.380 nan 0.000 0.423 576 Y N -2.800 117.357 120.300 -0.238 0.000 2.571 576 Y HA 0.620 5.051 4.550 -0.198 0.000 0.341 576 Y C -1.271 174.565 175.900 -0.107 0.000 1.076 576 Y CA -1.554 56.445 58.100 -0.168 0.000 1.029 576 Y CB 1.097 39.457 38.460 -0.167 0.000 1.308 576 Y HN -0.068 nan 8.280 nan 0.000 0.461 577 E N 2.746 122.843 120.200 -0.172 0.000 2.113 577 E HA 0.143 4.374 4.350 -0.198 0.000 0.273 577 E C -1.660 174.919 176.600 -0.035 0.000 0.924 577 E CA -0.592 55.706 56.400 -0.169 0.000 0.764 577 E CB 0.616 30.297 29.700 -0.031 0.000 1.104 577 E HN 0.910 nan 8.360 nan 0.000 0.406 578 H N 6.172 125.100 119.070 -0.235 0.000 2.792 578 H HA 0.396 4.833 4.556 -0.198 0.000 0.298 578 H C -1.160 174.130 175.328 -0.064 0.000 1.042 578 H CA -0.634 55.365 56.048 -0.081 0.000 1.300 578 H CB 0.777 30.533 29.762 -0.010 0.000 1.431 578 H HN 0.463 nan 8.280 nan 0.000 0.496 579 M N 4.852 124.487 119.600 0.058 0.000 2.484 579 M HA 0.213 4.575 4.480 -0.198 0.000 0.289 579 M C -0.816 175.493 176.300 0.015 0.000 1.206 579 M CA -0.457 54.808 55.300 -0.058 0.000 0.892 579 M CB 1.608 34.205 32.600 -0.005 0.000 1.712 579 M HN 0.783 nan 8.290 nan 0.000 0.462 580 N N 2.264 120.948 118.700 -0.027 0.000 2.725 580 N HA -0.201 4.420 4.740 -0.198 0.000 0.249 580 N C -0.682 174.856 175.510 0.046 0.000 1.103 580 N CA 1.589 54.639 53.050 0.002 0.000 0.707 580 N CB -1.247 37.229 38.487 -0.019 0.000 1.043 580 N HN 0.821 nan 8.380 nan 0.000 0.553 581 K N -2.389 118.081 120.400 0.115 0.000 3.446 581 K HA -0.224 3.977 4.320 -0.198 0.000 0.312 581 K C -0.569 176.118 176.600 0.145 0.000 1.329 581 K CA 1.616 58.021 56.287 0.196 0.000 0.935 581 K CB -1.140 31.421 32.500 0.101 0.000 1.281 581 K HN 0.649 nan 8.250 nan 0.000 0.457 582 E N 0.698 120.990 120.200 0.153 0.000 2.204 582 E HA 0.371 4.602 4.350 -0.198 0.000 0.276 582 E C -0.135 176.486 176.600 0.036 0.000 0.974 582 E CA -1.076 55.359 56.400 0.059 0.000 0.815 582 E CB 1.045 30.760 29.700 0.025 0.000 1.119 582 E HN 0.204 nan 8.360 nan 0.000 0.393 583 N N 1.843 120.487 118.700 -0.094 0.000 2.746 583 N HA -0.188 4.433 4.740 -0.198 0.000 0.250 583 N C -0.094 175.196 175.510 -0.366 0.000 1.055 583 N CA 0.569 53.499 53.050 -0.200 0.000 0.699 583 N CB -0.750 37.666 38.487 -0.118 0.000 0.919 583 N HN 0.537 nan 8.380 nan 0.000 0.548 584 K N -0.065 120.019 120.400 -0.528 0.000 2.283 584 K HA -0.025 4.176 4.320 -0.198 0.000 0.202 584 K C 0.772 176.861 176.600 -0.851 0.000 1.048 584 K CA 1.069 56.886 56.287 -0.784 0.000 0.948 584 K CB 0.084 32.285 32.500 -0.498 0.000 0.742 584 K HN 0.429 nan 8.250 nan 0.000 0.458 585 R N -0.148 119.733 120.500 -1.032 0.000 2.700 585 R HA 0.140 4.361 4.340 -0.198 0.000 0.399 585 R C 0.850 176.158 176.300 -1.653 0.000 1.115 585 R CA -0.098 54.836 56.100 -1.944 0.000 1.058 585 R CB 0.988 30.331 30.300 -1.595 0.000 1.389 585 R HN 0.049 nan 8.270 nan 0.000 0.582 586 G N 0.301 108.365 108.800 -1.227 0.000 3.210 586 G HA2 -0.082 3.759 3.960 -0.198 0.000 0.220 586 G HA3 -0.082 3.759 3.960 -0.198 0.000 0.220 586 G C 0.704 174.872 174.900 -1.220 0.000 1.200 586 G CA -0.401 44.170 45.100 -0.881 0.000 0.834 586 G HN 0.315 nan 8.290 nan 0.000 0.524 587 W N 0.695 121.113 121.300 -1.471 0.000 2.262 587 W HA -0.225 4.316 4.660 -0.198 0.000 0.331 587 W C 1.195 177.228 176.519 -0.810 0.000 1.315 587 W CA 1.064 57.489 57.345 -1.533 0.000 1.302 587 W CB -1.079 27.433 29.460 -1.579 0.000 1.128 587 W HN 0.409 nan 8.180 nan 0.000 0.482 588 Y N 0.204 120.466 120.300 -0.064 0.000 2.507 588 Y HA 0.096 4.527 4.550 -0.198 0.000 0.254 588 Y C 2.257 178.200 175.900 0.071 0.000 1.171 588 Y CA 0.497 58.639 58.100 0.072 0.000 1.238 588 Y CB -1.429 37.110 38.460 0.131 0.000 1.148 588 Y HN -0.082 nan 8.280 nan 0.000 0.525 589 T N -4.362 110.262 114.554 0.116 0.000 3.139 589 T HA -0.047 4.184 4.350 -0.198 0.000 0.267 589 T C 1.243 176.058 174.700 0.192 0.000 1.164 589 T CA 1.268 63.464 62.100 0.160 0.000 1.075 589 T CB -0.225 68.715 68.868 0.120 0.000 0.904 589 T HN 0.145 nan 8.240 nan 0.000 0.540 590 S N 0.243 116.068 115.700 0.209 0.000 2.893 590 S HA 0.189 4.540 4.470 -0.198 0.000 0.258 590 S C -0.156 174.717 174.600 0.455 0.000 1.034 590 S CA -0.475 57.884 58.200 0.264 0.000 1.167 590 S CB 0.403 63.697 63.200 0.156 0.000 1.137 590 S HN 0.361 nan 8.310 nan 0.000 0.650 591 D N 2.370 123.035 120.400 0.443 0.000 3.008 591 D HA 0.374 4.895 4.640 -0.198 0.000 0.242 591 D C 1.097 177.565 176.300 0.279 0.000 1.222 591 D CA 0.397 54.697 54.000 0.499 0.000 0.883 591 D CB -0.397 40.675 40.800 0.453 0.000 1.110 591 D HN 0.461 nan 8.370 nan 0.000 0.455 592 G N 1.229 110.243 108.800 0.357 0.000 2.204 592 G HA2 -0.307 3.534 3.960 -0.198 0.000 0.244 592 G HA3 -0.307 3.534 3.960 -0.198 0.000 0.244 592 G C 0.243 175.384 174.900 0.402 0.000 1.062 592 G CA -0.103 45.255 45.100 0.430 0.000 0.798 592 G HN 0.406 nan 8.290 nan 0.000 0.496 593 M N 0.473 120.225 119.600 0.253 0.000 2.211 593 M HA 0.682 5.043 4.480 -0.198 0.000 0.356 593 M C 0.397 176.787 176.300 0.150 0.000 1.216 593 M CA -0.857 54.556 55.300 0.188 0.000 1.134 593 M CB 0.321 32.972 32.600 0.085 0.000 1.564 593 M HN 0.513 nan 8.290 nan 0.000 0.463 594 F N 3.722 123.709 119.950 0.063 0.000 2.538 594 F HA 0.687 5.095 4.527 -0.198 0.000 0.325 594 F C -2.292 173.441 175.800 -0.111 0.000 1.066 594 F CA -0.943 57.065 58.000 0.012 0.000 0.946 594 F CB 0.865 40.110 39.000 0.409 0.000 1.199 594 F HN 0.458 nan 8.300 nan 0.000 0.473 595 Y N 3.150 123.331 120.300 -0.198 0.000 2.409 595 Y HA 0.624 5.055 4.550 -0.198 0.000 0.343 595 Y C -1.094 174.806 175.900 0.001 0.000 0.973 595 Y CA -1.032 56.883 58.100 -0.309 0.000 1.064 595 Y CB 2.154 40.362 38.460 -0.420 0.000 1.207 595 Y HN 0.790 nan 8.280 nan 0.000 0.452 596 L N 4.365 125.662 121.223 0.124 0.000 2.343 596 L HA 0.542 4.763 4.340 -0.198 0.000 0.278 596 L C -2.027 174.835 176.870 -0.013 0.000 0.996 596 L CA -0.837 54.158 54.840 0.258 0.000 0.831 596 L CB 0.417 42.669 42.059 0.321 0.000 1.232 596 L HN 0.465 nan 8.230 nan 0.000 0.413 597 Y N 5.540 126.071 120.300 0.386 0.000 2.385 597 Y HA 0.486 4.917 4.550 -0.198 0.000 0.341 597 Y C 0.395 176.471 175.900 0.292 0.000 0.965 597 Y CA -0.460 57.830 58.100 0.317 0.000 1.180 597 Y CB 0.715 39.347 38.460 0.288 0.000 1.139 597 Y HN 0.801 nan 8.280 nan 0.000 0.502 598 N N -0.007 118.863 118.700 0.283 0.000 3.369 598 N HA 0.344 4.965 4.740 -0.198 0.000 0.362 598 N C 1.405 177.027 175.510 0.187 0.000 1.523 598 N CA -0.284 52.907 53.050 0.235 0.000 0.684 598 N CB -0.257 38.307 38.487 0.129 0.000 1.796 598 N HN 0.477 nan 8.380 nan 0.000 0.641 599 G N -1.166 107.714 108.800 0.133 0.000 2.517 599 G HA2 -0.234 3.607 3.960 -0.198 0.000 0.222 599 G HA3 -0.234 3.607 3.960 -0.198 0.000 0.222 599 G C 0.076 175.024 174.900 0.079 0.000 1.109 599 G CA 1.272 46.433 45.100 0.103 0.000 0.746 599 G HN 0.715 nan 8.290 nan 0.000 0.576 600 D N 0.288 120.720 120.400 0.054 0.000 2.470 600 D HA 0.232 4.753 4.640 -0.198 0.000 0.226 600 D C 1.381 177.701 176.300 0.033 0.000 1.196 600 D CA -0.482 53.526 54.000 0.013 0.000 0.979 600 D CB 0.471 41.262 40.800 -0.015 0.000 1.059 600 D HN -0.092 nan 8.370 nan 0.000 0.515 601 L N 2.436 123.682 121.223 0.039 0.000 2.456 601 L HA -0.073 4.148 4.340 -0.198 0.000 0.224 601 L C 2.192 178.958 176.870 -0.173 0.000 1.148 601 L CA 1.042 55.942 54.840 0.100 0.000 0.825 601 L CB -0.537 41.619 42.059 0.162 0.000 0.937 601 L HN 0.420 nan 8.230 nan 0.000 0.450 602 S N -2.895 112.505 115.700 -0.499 0.000 2.577 602 S HA -0.047 4.304 4.470 -0.198 0.000 0.219 602 S C 1.914 176.318 174.600 -0.326 0.000 0.962 602 S CA -0.286 57.440 58.200 -0.790 0.000 0.921 602 S CB -0.612 62.076 63.200 -0.854 0.000 0.789 602 S HN 0.498 nan 8.310 nan 0.000 0.497 603 H N 1.412 120.284 119.070 -0.329 0.000 2.265 603 H HA -0.180 4.257 4.556 -0.198 0.000 0.295 603 H C 0.397 175.333 175.328 -0.654 0.000 1.084 603 H CA 2.212 57.952 56.048 -0.514 0.000 1.261 603 H CB -0.351 28.970 29.762 -0.734 0.000 1.360 603 H HN 0.617 nan 8.280 nan 0.000 0.487 604 Y N 0.795 120.930 120.300 -0.276 0.000 2.470 604 Y HA 0.173 4.604 4.550 -0.198 0.000 0.302 604 Y C 0.927 176.789 175.900 -0.063 0.000 1.194 604 Y CA -0.211 57.607 58.100 -0.469 0.000 1.271 604 Y CB 0.338 38.648 38.460 -0.250 0.000 1.092 604 Y HN 0.000 nan 8.280 nan 0.000 0.513 605 S N -1.431 114.308 115.700 0.065 0.000 2.837 605 S HA 0.280 4.632 4.470 -0.198 0.000 0.314 605 S C -0.380 174.331 174.600 0.184 0.000 1.098 605 S CA -0.791 57.544 58.200 0.224 0.000 0.903 605 S CB 0.986 64.330 63.200 0.241 0.000 1.310 605 S HN 0.235 nan 8.310 nan 0.000 0.581 606 D N 0.476 121.043 120.400 0.278 0.000 2.772 606 D HA -0.118 4.403 4.640 -0.198 0.000 0.233 606 D C 0.646 177.080 176.300 0.223 0.000 1.143 606 D CA 1.559 55.700 54.000 0.234 0.000 0.700 606 D CB -1.618 39.257 40.800 0.125 0.000 1.076 606 D HN 1.204 nan 8.370 nan 0.000 0.430 607 G N -0.802 108.210 108.800 0.352 0.000 2.171 607 G HA2 -0.435 3.406 3.960 -0.198 0.000 0.238 607 G HA3 -0.435 3.406 3.960 -0.198 0.000 0.238 607 G C 0.541 175.433 174.900 -0.013 0.000 1.039 607 G CA 0.730 45.929 45.100 0.166 0.000 0.759 607 G HN 0.512 nan 8.290 nan 0.000 0.501 608 Y N -0.621 119.633 120.300 -0.078 0.000 2.114 608 Y HA -0.017 4.413 4.550 -0.199 0.000 0.284 608 Y C 2.532 178.265 175.900 -0.279 0.000 1.143 608 Y CA 2.488 60.477 58.100 -0.186 0.000 1.135 608 Y CB -0.349 37.887 38.460 -0.372 0.000 0.980 608 Y HN 0.370 nan 8.280 nan 0.000 0.499 609 W N 1.367 122.569 121.300 -0.163 0.000 2.333 609 W HA -0.158 4.383 4.660 -0.198 0.000 0.316 609 W C -0.309 175.846 176.519 -0.606 0.000 1.215 609 W CA 1.380 58.498 57.345 -0.378 0.000 1.278 609 W CB -1.595 27.781 29.460 -0.140 0.000 1.154 609 W HN 0.178 nan 8.180 nan 0.000 0.486 610 P HA -0.009 nan 4.420 nan 0.000 0.245 610 P C 0.871 177.922 177.300 -0.415 0.000 1.212 610 P CA 1.738 64.479 63.100 -0.598 0.000 0.774 610 P CB -0.064 31.055 31.700 -0.969 0.000 0.999 611 T N -4.853 109.464 114.554 -0.395 0.000 2.959 611 T HA 0.134 4.365 4.350 -0.198 0.000 0.254 611 T C 0.689 175.043 174.700 -0.576 0.000 1.003 611 T CA -0.144 61.773 62.100 -0.304 0.000 0.950 611 T CB -0.634 68.203 68.868 -0.051 0.000 1.090 611 T HN -0.102 nan 8.240 nan 0.000 0.503 612 V N 3.701 123.128 119.914 -0.813 0.000 2.655 612 V HA 0.287 4.289 4.120 -0.198 0.000 0.300 612 V C 0.118 175.799 176.094 -0.688 0.000 1.044 612 V CA -0.619 60.978 62.300 -1.171 0.000 1.095 612 V CB 0.414 31.441 31.823 -1.326 0.000 0.952 612 V HN 0.544 nan 8.190 nan 0.000 0.485 613 N N 8.860 127.200 118.700 -0.600 0.000 2.406 613 N HA 0.208 4.829 4.740 -0.198 0.000 0.265 613 N C -1.379 174.038 175.510 -0.155 0.000 1.203 613 N CA -1.833 51.060 53.050 -0.262 0.000 0.945 613 N CB 1.273 39.660 38.487 -0.167 0.000 1.165 613 N HN 0.484 nan 8.380 nan 0.000 0.485 614 P HA -0.123 nan 4.420 nan 0.000 0.228 614 P C 0.424 177.728 177.300 0.007 0.000 1.151 614 P CA 1.144 64.135 63.100 -0.181 0.000 0.770 614 P CB 0.000 31.418 31.700 -0.470 0.000 0.786 615 Y N 0.722 121.157 120.300 0.226 0.000 2.517 615 Y HA 0.079 4.510 4.550 -0.198 0.000 0.281 615 Y C 1.513 177.540 175.900 0.211 0.000 1.125 615 Y CA 0.716 59.014 58.100 0.329 0.000 1.283 615 Y CB 0.051 38.627 38.460 0.193 0.000 1.042 615 Y HN -0.085 nan 8.280 nan 0.000 0.547 616 K N 0.003 120.530 120.400 0.211 0.000 3.237 616 K HA 0.234 4.435 4.320 -0.198 0.000 0.197 616 K C -0.607 176.027 176.600 0.055 0.000 1.133 616 K CA -0.345 56.005 56.287 0.105 0.000 0.944 616 K CB 0.384 32.912 32.500 0.047 0.000 0.952 616 K HN 0.001 nan 8.250 nan 0.000 0.515 617 M N 2.208 121.867 119.600 0.099 0.000 2.251 617 M HA 0.102 4.463 4.480 -0.198 0.000 0.343 617 M C -2.331 173.997 176.300 0.047 0.000 1.245 617 M CA -2.728 52.606 55.300 0.057 0.000 1.061 617 M CB -0.760 31.916 32.600 0.126 0.000 1.723 617 M HN -0.012 nan 8.290 nan 0.000 0.449 618 P HA 0.193 nan 4.420 nan 0.000 0.263 618 P C 0.873 178.328 177.300 0.258 0.000 1.195 618 P CA 0.821 63.931 63.100 0.017 0.000 0.762 618 P CB 0.421 31.939 31.700 -0.303 0.000 0.799 619 G N 1.910 110.982 108.800 0.453 0.000 2.225 619 G HA2 -0.232 3.609 3.960 -0.198 0.000 0.254 619 G HA3 -0.232 3.609 3.960 -0.198 0.000 0.254 619 G C 0.345 175.490 174.900 0.408 0.000 0.988 619 G CA 0.358 45.838 45.100 0.633 0.000 0.625 619 G HN 0.812 nan 8.290 nan 0.000 0.527 620 T N -0.634 114.064 114.554 0.240 0.000 2.910 620 T HA 0.593 4.824 4.350 -0.198 0.000 0.293 620 T C 0.004 174.732 174.700 0.046 0.000 1.015 620 T CA 0.523 62.692 62.100 0.115 0.000 1.094 620 T CB 2.018 70.933 68.868 0.078 0.000 0.968 620 T HN 0.321 nan 8.240 nan 0.000 0.521 621 T N 3.885 118.416 114.554 -0.038 0.000 2.758 621 T HA 0.551 4.782 4.350 -0.198 0.000 0.285 621 T C -0.597 174.145 174.700 0.069 0.000 0.981 621 T CA -0.709 61.429 62.100 0.063 0.000 0.965 621 T CB 0.759 69.691 68.868 0.107 0.000 0.927 621 T HN 0.716 nan 8.240 nan 0.000 0.448 622 E N 1.360 121.617 120.200 0.095 0.000 2.430 622 E HA 0.400 4.631 4.350 -0.198 0.000 0.279 622 E C -0.515 176.161 176.600 0.126 0.000 1.003 622 E CA -0.849 55.591 56.400 0.068 0.000 0.801 622 E CB 1.536 31.080 29.700 -0.261 0.000 1.313 622 E HN 0.647 nan 8.360 nan 0.000 0.459 623 T N -2.141 112.514 114.554 0.169 0.000 2.927 623 T HA 0.267 4.498 4.350 -0.198 0.000 0.281 623 T C 0.509 175.314 174.700 0.175 0.000 0.998 623 T CA -0.654 61.546 62.100 0.166 0.000 1.019 623 T CB 0.749 69.724 68.868 0.178 0.000 1.061 623 T HN 0.460 nan 8.240 nan 0.000 0.518 624 D N -0.090 120.383 120.400 0.122 0.000 2.434 624 D HA 0.224 4.745 4.640 -0.198 0.000 0.232 624 D C 0.724 177.058 176.300 0.056 0.000 1.166 624 D CA -0.530 53.516 54.000 0.076 0.000 0.830 624 D CB -0.815 39.983 40.800 -0.003 0.000 0.960 624 D HN 0.768 nan 8.370 nan 0.000 0.497 625 A N 0.699 123.620 122.820 0.169 0.000 2.445 625 A HA 0.205 4.406 4.320 -0.198 0.000 0.242 625 A C 0.590 178.252 177.584 0.131 0.000 1.075 625 A CA -0.474 51.666 52.037 0.171 0.000 0.777 625 A CB 0.318 19.512 19.000 0.323 0.000 1.013 625 A HN 0.324 nan 8.150 nan 0.000 0.493 626 K N 1.050 121.473 120.400 0.038 0.000 2.319 626 K HA 0.235 4.436 4.320 -0.198 0.000 0.265 626 K C -0.313 176.225 176.600 -0.104 0.000 1.000 626 K CA -0.038 56.246 56.287 -0.005 0.000 0.943 626 K CB 0.379 32.862 32.500 -0.028 0.000 0.950 626 K HN 0.696 nan 8.250 nan 0.000 0.485 627 R N 1.070 121.390 120.500 -0.300 0.000 2.807 627 R HA 0.491 4.712 4.340 -0.198 0.000 0.276 627 R C -1.156 174.809 176.300 -0.557 0.000 0.979 627 R CA -0.918 54.641 56.100 -0.901 0.000 0.928 627 R CB 1.915 30.885 30.300 -2.217 0.000 1.191 627 R HN 0.756 nan 8.270 nan 0.000 0.471 628 A N 1.013 123.592 122.820 -0.402 0.000 2.292 628 A HA 0.325 4.526 4.320 -0.198 0.000 0.319 628 A C 0.171 177.863 177.584 0.180 0.000 1.206 628 A CA -0.532 51.476 52.037 -0.048 0.000 0.835 628 A CB 0.512 19.505 19.000 -0.012 0.000 1.164 628 A HN 0.619 nan 8.150 nan 0.000 0.505 629 D N 1.434 121.984 120.400 0.250 0.000 2.221 629 D HA -0.153 4.368 4.640 -0.198 0.000 0.204 629 D C 2.146 178.586 176.300 0.234 0.000 0.982 629 D CA 2.080 56.213 54.000 0.222 0.000 0.857 629 D CB -0.084 40.766 40.800 0.083 0.000 0.934 629 D HN 0.644 nan 8.370 nan 0.000 0.475 630 S N -0.121 115.719 115.700 0.234 0.000 2.515 630 S HA -0.078 4.273 4.470 -0.198 0.000 0.231 630 S C 0.630 175.401 174.600 0.286 0.000 0.987 630 S CA -0.098 58.266 58.200 0.273 0.000 0.936 630 S CB -0.051 63.241 63.200 0.154 0.000 0.766 630 S HN -0.034 nan 8.310 nan 0.000 0.528 631 D N 2.551 123.126 120.400 0.292 0.000 2.364 631 D HA 0.381 4.902 4.640 -0.198 0.000 0.236 631 D C 0.676 177.197 176.300 0.369 0.000 1.221 631 D CA 0.942 55.105 54.000 0.271 0.000 0.891 631 D CB 0.864 41.788 40.800 0.206 0.000 1.190 631 D HN 0.552 nan 8.370 nan 0.000 0.449 632 T N -2.830 111.835 114.554 0.186 0.000 2.887 632 T HA 0.684 4.915 4.350 -0.198 0.000 0.292 632 T C 0.487 175.079 174.700 -0.180 0.000 1.087 632 T CA -0.973 61.099 62.100 -0.046 0.000 1.009 632 T CB 1.237 70.038 68.868 -0.113 0.000 1.203 632 T HN 0.276 nan 8.240 nan 0.000 0.518 633 G N 0.794 109.281 108.800 -0.522 0.000 2.664 633 G HA2 0.503 4.344 3.960 -0.198 0.000 0.242 633 G HA3 0.503 4.344 3.960 -0.198 0.000 0.242 633 G C -0.661 174.194 174.900 -0.074 0.000 1.225 633 G CA -0.429 44.431 45.100 -0.401 0.000 0.849 633 G HN 0.723 nan 8.290 nan 0.000 0.581 634 K N -0.570 119.847 120.400 0.029 0.000 2.508 634 K HA 0.464 4.665 4.320 -0.198 0.000 0.260 634 K C -0.045 176.708 176.600 0.255 0.000 0.949 634 K CA -0.723 55.653 56.287 0.149 0.000 0.834 634 K CB 1.969 34.615 32.500 0.243 0.000 1.365 634 K HN 0.510 nan 8.250 nan 0.000 0.437 635 V N -1.092 118.993 119.914 0.285 0.000 3.170 635 V HA 0.510 4.511 4.120 -0.198 0.000 0.309 635 V C 0.118 176.482 176.094 0.450 0.000 1.071 635 V CA -1.049 61.486 62.300 0.392 0.000 1.063 635 V CB 0.892 32.840 31.823 0.209 0.000 1.123 635 V HN 0.646 nan 8.190 nan 0.000 0.464 636 L N 2.716 124.079 121.223 0.233 0.000 2.357 636 L HA 0.558 4.779 4.340 -0.198 0.000 0.273 636 L C -1.720 175.150 176.870 -0.000 0.000 1.080 636 L CA -1.402 53.405 54.840 -0.054 0.000 0.803 636 L CB 1.353 43.039 42.059 -0.622 0.000 1.174 636 L HN 0.472 nan 8.230 nan 0.000 0.443 637 P HA -0.102 nan 4.420 nan 0.000 0.215 637 P C 0.006 177.316 177.300 0.017 0.000 1.157 637 P CA 0.908 64.018 63.100 0.017 0.000 0.868 637 P CB 0.146 31.850 31.700 0.006 0.000 0.788 638 S N -1.643 114.064 115.700 0.011 0.000 2.610 638 S HA 0.492 4.843 4.470 -0.198 0.000 0.273 638 S C 0.957 175.586 174.600 0.048 0.000 1.274 638 S CA -0.152 58.078 58.200 0.051 0.000 1.023 638 S CB 0.559 63.822 63.200 0.106 0.000 0.962 638 S HN 0.060 nan 8.310 nan 0.000 0.523 639 A N 3.508 126.377 122.820 0.082 0.000 2.390 639 A HA 0.337 4.538 4.320 -0.198 0.000 0.232 639 A C 0.322 177.976 177.584 0.117 0.000 1.233 639 A CA -0.292 51.788 52.037 0.072 0.000 0.907 639 A CB -0.197 18.838 19.000 0.058 0.000 0.967 639 A HN 0.720 nan 8.150 nan 0.000 0.512 640 F N 1.799 121.727 119.950 -0.036 0.000 2.661 640 F HA 0.445 4.853 4.527 -0.198 0.000 0.356 640 F C -0.487 175.300 175.800 -0.022 0.000 1.244 640 F CA -0.624 57.335 58.000 -0.069 0.000 1.290 640 F CB 0.014 38.955 39.000 -0.099 0.000 1.677 640 F HN -0.092 nan 8.300 nan 0.000 0.649 641 V N 2.551 122.382 119.914 -0.139 0.000 2.612 641 V HA 0.881 4.882 4.120 -0.198 0.000 0.301 641 V C -0.027 176.022 176.094 -0.075 0.000 1.059 641 V CA -0.431 61.814 62.300 -0.093 0.000 0.886 641 V CB 1.302 33.125 31.823 0.001 0.000 1.007 641 V HN 0.677 nan 8.190 nan 0.000 0.426 642 G N 2.444 111.201 108.800 -0.072 0.000 2.338 642 G HA2 0.558 4.399 3.960 -0.198 0.000 0.295 642 G HA3 0.558 4.399 3.960 -0.198 0.000 0.295 642 G C -1.229 173.665 174.900 -0.011 0.000 1.461 642 G CA -0.431 44.693 45.100 0.041 0.000 0.817 642 G HN 0.503 nan 8.290 nan 0.000 0.556 643 T N 0.401 114.899 114.554 -0.092 0.000 2.812 643 T HA 0.611 4.842 4.350 -0.198 0.000 0.282 643 T C -0.241 174.304 174.700 -0.259 0.000 0.990 643 T CA -0.349 61.663 62.100 -0.146 0.000 0.960 643 T CB 1.573 70.352 68.868 -0.148 0.000 0.948 643 T HN 0.698 nan 8.240 nan 0.000 0.438 644 S N 2.913 118.537 115.700 -0.126 0.000 2.420 644 S HA 0.366 4.717 4.470 -0.198 0.000 0.313 644 S C -0.188 174.373 174.600 -0.066 0.000 1.079 644 S CA -0.823 57.310 58.200 -0.111 0.000 1.104 644 S CB -0.001 63.185 63.200 -0.023 0.000 0.969 644 S HN 0.639 nan 8.310 nan 0.000 0.471 645 K N 5.062 125.403 120.400 -0.099 0.000 2.211 645 K HA 0.289 4.490 4.320 -0.198 0.000 0.275 645 K C 0.590 177.183 176.600 -0.011 0.000 1.024 645 K CA -0.721 55.535 56.287 -0.051 0.000 0.887 645 K CB 0.981 33.429 32.500 -0.086 0.000 1.084 645 K HN 0.564 nan 8.250 nan 0.000 0.463 646 L N 3.807 125.045 121.223 0.025 0.000 2.130 646 L HA 0.132 4.353 4.340 -0.198 0.000 0.200 646 L C -0.105 176.780 176.870 0.024 0.000 1.075 646 L CA 1.826 56.691 54.840 0.040 0.000 0.768 646 L CB -0.160 41.943 42.059 0.073 0.000 0.933 646 L HN 0.993 nan 8.230 nan 0.000 0.451 647 D N -3.667 116.746 120.400 0.021 0.000 3.009 647 D HA 0.161 4.682 4.640 -0.198 0.000 0.318 647 D C 0.065 176.372 176.300 0.012 0.000 1.273 647 D CA -0.214 53.795 54.000 0.015 0.000 1.001 647 D CB -0.373 40.437 40.800 0.017 0.000 1.411 647 D HN -0.128 nan 8.370 nan 0.000 0.577 648 D N -0.809 119.600 120.400 0.015 0.000 2.378 648 D HA 0.189 4.710 4.640 -0.198 0.000 0.227 648 D C 0.968 177.263 176.300 -0.009 0.000 1.012 648 D CA 0.965 54.978 54.000 0.021 0.000 0.905 648 D CB 0.261 41.084 40.800 0.039 0.000 0.895 648 D HN 0.451 nan 8.370 nan 0.000 0.532 649 A N -0.142 122.670 122.820 -0.013 0.000 2.390 649 A HA 0.122 4.323 4.320 -0.198 0.000 0.225 649 A C 0.506 178.089 177.584 -0.002 0.000 1.232 649 A CA -0.229 51.789 52.037 -0.032 0.000 0.964 649 A CB 0.625 19.600 19.000 -0.042 0.000 1.064 649 A HN -0.016 nan 8.150 nan 0.000 0.525 650 N N 0.037 118.749 118.700 0.020 0.000 2.249 650 N HA 0.661 5.282 4.740 -0.198 0.000 0.296 650 N C -0.927 174.616 175.510 0.055 0.000 1.051 650 N CA 0.253 53.332 53.050 0.048 0.000 0.815 650 N CB 2.248 40.775 38.487 0.066 0.000 1.487 650 N HN 0.340 nan 8.380 nan 0.000 0.475 651 A N 0.829 123.690 122.820 0.069 0.000 2.608 651 A HA 0.746 4.947 4.320 -0.198 0.000 0.292 651 A C -1.159 176.463 177.584 0.064 0.000 1.066 651 A CA -0.549 51.519 52.037 0.052 0.000 0.676 651 A CB 1.552 20.559 19.000 0.013 0.000 1.277 651 A HN 0.404 nan 8.150 nan 0.000 0.413 652 T N 0.477 115.052 114.554 0.035 0.000 2.876 652 T HA 0.826 5.057 4.350 -0.198 0.000 0.289 652 T C -0.240 174.421 174.700 -0.065 0.000 1.014 652 T CA 0.221 62.301 62.100 -0.034 0.000 0.986 652 T CB 1.737 70.626 68.868 0.034 0.000 1.021 652 T HN 1.844 nan 8.240 nan 0.000 0.458 653 A N 1.432 124.196 122.820 -0.094 0.000 2.515 653 A HA 0.955 5.156 4.320 -0.198 0.000 0.296 653 A C -0.491 177.148 177.584 0.093 0.000 1.094 653 A CA -0.810 51.240 52.037 0.022 0.000 0.718 653 A CB 2.265 21.317 19.000 0.088 0.000 1.307 653 A HN 0.761 nan 8.150 nan 0.000 0.408 654 T N 0.450 115.070 114.554 0.109 0.000 2.889 654 T HA 0.646 4.877 4.350 -0.198 0.000 0.315 654 T C -1.588 173.232 174.700 0.199 0.000 1.291 654 T CA -0.353 61.818 62.100 0.118 0.000 1.028 654 T CB 1.132 69.917 68.868 -0.138 0.000 1.235 654 T HN 0.896 nan 8.240 nan 0.000 0.491 655 M N 3.582 123.376 119.600 0.323 0.000 2.183 655 M HA 0.353 4.714 4.480 -0.198 0.000 0.277 655 M C -1.576 174.961 176.300 0.396 0.000 0.995 655 M CA -0.638 54.870 55.300 0.347 0.000 0.969 655 M CB 1.552 34.467 32.600 0.525 0.000 1.659 655 M HN 0.574 nan 8.290 nan 0.000 0.462 656 D N 4.693 125.322 120.400 0.382 0.000 2.455 656 D HA 0.121 4.642 4.640 -0.198 0.000 0.234 656 D C -1.235 175.274 176.300 0.348 0.000 1.224 656 D CA 0.228 54.492 54.000 0.438 0.000 0.999 656 D CB -0.155 40.922 40.800 0.460 0.000 1.072 656 D HN 0.395 nan 8.370 nan 0.000 0.514 657 F N 2.400 122.487 119.950 0.228 0.000 2.412 657 F HA 0.405 4.813 4.527 -0.198 0.000 0.348 657 F C -0.075 175.823 175.800 0.164 0.000 1.102 657 F CA -0.047 58.066 58.000 0.190 0.000 1.196 657 F CB 1.138 40.278 39.000 0.234 0.000 1.144 657 F HN 0.009 nan 8.300 nan 0.000 0.541 658 T N 6.108 120.152 114.554 -0.850 0.000 2.991 658 T HA 0.217 4.448 4.350 -0.198 0.000 0.303 658 T C -0.733 173.374 174.700 -0.988 0.000 1.015 658 T CA -1.022 60.669 62.100 -0.682 0.000 1.007 658 T CB 0.955 69.669 68.868 -0.256 0.000 1.034 658 T HN 0.695 nan 8.240 nan 0.000 0.446 659 N N 2.506 120.797 118.700 -0.681 0.000 2.354 659 N HA 0.033 4.654 4.740 -0.198 0.000 0.246 659 N C 1.815 177.333 175.510 0.013 0.000 1.285 659 N CA -0.899 52.044 53.050 -0.180 0.000 0.925 659 N CB 0.465 39.055 38.487 0.172 0.000 1.174 659 N HN 0.884 nan 8.380 nan 0.000 0.478 660 W N 1.040 122.450 121.300 0.184 0.000 2.296 660 W HA -0.255 4.286 4.660 -0.198 0.000 0.296 660 W C -0.056 176.531 176.519 0.113 0.000 1.220 660 W CA 1.544 59.002 57.345 0.189 0.000 1.223 660 W CB -1.347 28.253 29.460 0.235 0.000 1.139 660 W HN 0.672 nan 8.180 nan 0.000 0.534 661 N N 0.419 118.543 118.700 -0.959 0.000 2.351 661 N HA 0.042 4.663 4.740 -0.198 0.000 0.254 661 N C -0.001 175.230 175.510 -0.463 0.000 1.241 661 N CA -0.030 52.492 53.050 -0.880 0.000 0.883 661 N CB -0.694 36.849 38.487 -1.574 0.000 1.202 661 N HN 0.050 nan 8.380 nan 0.000 0.512 662 Q N -0.382 119.238 119.800 -0.299 0.000 2.423 662 Q HA -0.186 4.035 4.340 -0.198 0.000 0.332 662 Q C 0.220 176.119 176.000 -0.169 0.000 1.355 662 Q CA 1.506 57.196 55.803 -0.189 0.000 0.947 662 Q CB -2.521 26.141 28.738 -0.127 0.000 1.189 662 Q HN 0.741 nan 8.270 nan 0.000 0.418 663 T N -4.071 110.377 114.554 -0.177 0.000 2.975 663 T HA 0.456 4.687 4.350 -0.198 0.000 0.261 663 T C 0.279 174.950 174.700 -0.048 0.000 0.984 663 T CA -0.091 61.943 62.100 -0.110 0.000 0.911 663 T CB 0.558 69.355 68.868 -0.118 0.000 1.127 663 T HN 0.302 nan 8.240 nan 0.000 0.514 664 L N 2.225 123.424 121.223 -0.041 0.000 2.422 664 L HA 0.757 4.978 4.340 -0.198 0.000 0.264 664 L C -1.056 175.825 176.870 0.020 0.000 0.984 664 L CA -0.359 54.503 54.840 0.036 0.000 0.819 664 L CB 2.367 44.509 42.059 0.138 0.000 1.330 664 L HN 0.362 nan 8.230 nan 0.000 0.410 665 T N 1.317 115.912 114.554 0.068 0.000 2.901 665 T HA 0.973 5.204 4.350 -0.198 0.000 0.293 665 T C -0.863 173.941 174.700 0.175 0.000 1.084 665 T CA -0.304 61.852 62.100 0.094 0.000 1.008 665 T CB 2.105 70.988 68.868 0.026 0.000 1.170 665 T HN 1.133 nan 8.240 nan 0.000 0.509 666 A N 1.266 124.242 122.820 0.260 0.000 2.573 666 A HA 0.551 4.752 4.320 -0.198 0.000 0.299 666 A C -1.630 176.126 177.584 0.287 0.000 1.060 666 A CA -0.881 51.262 52.037 0.178 0.000 0.736 666 A CB 0.646 19.777 19.000 0.219 0.000 1.280 666 A HN 0.934 nan 8.150 nan 0.000 0.401 667 H N 1.921 120.947 119.070 -0.073 0.000 2.872 667 H HA 0.352 4.789 4.556 -0.198 0.000 0.273 667 H C -0.265 175.019 175.328 -0.074 0.000 1.205 667 H CA 0.227 56.213 56.048 -0.105 0.000 1.342 667 H CB 0.462 29.956 29.762 -0.446 0.000 1.469 667 H HN 0.470 nan 8.280 nan 0.000 0.487 668 K N 2.190 122.641 120.400 0.085 0.000 2.234 668 K HA 0.475 4.676 4.320 -0.198 0.000 0.277 668 K C -0.266 176.028 176.600 -0.509 0.000 1.038 668 K CA -0.394 55.737 56.287 -0.260 0.000 0.888 668 K CB 1.283 33.646 32.500 -0.229 0.000 1.091 668 K HN 0.373 nan 8.250 nan 0.000 0.467 669 S N 1.970 117.284 115.700 -0.642 0.000 2.542 669 S HA 0.525 4.876 4.470 -0.198 0.000 0.293 669 S C -1.298 172.842 174.600 -0.766 0.000 1.089 669 S CA -0.905 56.980 58.200 -0.524 0.000 0.961 669 S CB 1.154 64.251 63.200 -0.171 0.000 1.062 669 S HN 0.442 nan 8.310 nan 0.000 0.483 670 W N 1.859 122.878 121.300 -0.468 0.000 2.785 670 W HA 0.485 5.026 4.660 -0.198 0.000 0.333 670 W C -1.879 174.235 176.519 -0.673 0.000 1.062 670 W CA -0.754 56.326 57.345 -0.441 0.000 1.233 670 W CB 1.312 30.591 29.460 -0.302 0.000 1.413 670 W HN 0.526 nan 8.180 nan 0.000 0.489 671 F N 2.568 122.587 119.950 0.115 0.000 2.366 671 F HA 0.388 4.796 4.527 -0.198 0.000 0.366 671 F C 0.274 176.099 175.800 0.042 0.000 1.096 671 F CA -0.790 57.270 58.000 0.100 0.000 1.060 671 F CB 0.860 39.922 39.000 0.103 0.000 1.282 671 F HN -0.055 nan 8.300 nan 0.000 0.450 672 M N 4.878 124.548 119.600 0.117 0.000 2.156 672 M HA 0.304 4.665 4.480 -0.198 0.000 0.345 672 M C -0.504 175.844 176.300 0.081 0.000 1.398 672 M CA 0.214 55.533 55.300 0.031 0.000 1.148 672 M CB 0.482 33.088 32.600 0.010 0.000 1.663 672 M HN 0.483 nan 8.290 nan 0.000 0.464 673 L N 4.565 125.833 121.223 0.076 0.000 2.679 673 L HA 0.308 4.529 4.340 -0.198 0.000 0.238 673 L C 0.712 177.610 176.870 0.046 0.000 1.330 673 L CA -0.241 54.640 54.840 0.068 0.000 0.935 673 L CB 0.031 42.134 42.059 0.074 0.000 1.243 673 L HN 0.851 nan 8.230 nan 0.000 0.484 674 K N 1.334 121.751 120.400 0.029 0.000 10.883 674 K HA -0.309 3.892 4.320 -0.198 0.000 0.526 674 K C 0.703 177.333 176.600 0.050 0.000 0.382 674 K CA 2.467 58.756 56.287 0.003 0.000 1.943 674 K CB -0.838 31.656 32.500 -0.009 0.000 0.766 674 K HN 0.699 nan 8.250 nan 0.000 1.214 675 D N 0.920 121.397 120.400 0.128 0.000 2.479 675 D HA 0.193 4.714 4.640 -0.198 0.000 0.218 675 D C -0.212 176.251 176.300 0.272 0.000 1.177 675 D CA 0.138 54.318 54.000 0.299 0.000 0.830 675 D CB 0.246 41.151 40.800 0.175 0.000 1.014 675 D HN 0.589 nan 8.370 nan 0.000 0.503 676 K N -0.722 119.786 120.400 0.179 0.000 2.579 676 K HA 0.621 4.822 4.320 -0.198 0.000 0.284 676 K C -1.726 174.892 176.600 0.030 0.000 0.990 676 K CA -1.005 55.315 56.287 0.056 0.000 0.880 676 K CB 1.156 33.694 32.500 0.062 0.000 1.488 676 K HN -0.115 nan 8.250 nan 0.000 0.425 677 I N 1.049 121.619 120.570 0.000 0.000 2.512 677 I HA 0.390 4.441 4.170 -0.198 0.000 0.287 677 I C -0.902 175.333 176.117 0.197 0.000 1.069 677 I CA -0.472 60.806 61.300 -0.037 0.000 1.056 677 I CB 2.106 39.843 38.000 -0.438 0.000 1.229 677 I HN 0.846 nan 8.210 nan 0.000 0.429 678 A N 6.034 129.018 122.820 0.273 0.000 2.301 678 A HA 0.782 4.983 4.320 -0.198 0.000 0.298 678 A C -1.083 176.723 177.584 0.369 0.000 1.185 678 A CA -0.132 52.159 52.037 0.423 0.000 0.830 678 A CB 0.097 19.371 19.000 0.457 0.000 1.112 678 A HN 0.454 nan 8.150 nan 0.000 0.508 679 F N 2.343 122.283 119.950 -0.016 0.000 2.388 679 F HA 0.510 4.918 4.527 -0.198 0.000 0.358 679 F C 0.026 175.791 175.800 -0.060 0.000 1.122 679 F CA -0.436 57.456 58.000 -0.181 0.000 1.056 679 F CB 1.377 39.994 39.000 -0.638 0.000 1.155 679 F HN 0.327 nan 8.300 nan 0.000 0.461 680 L N 2.872 124.149 121.223 0.091 0.000 2.365 680 L HA 0.854 5.075 4.340 -0.198 0.000 0.273 680 L C 0.062 176.607 176.870 -0.542 0.000 1.000 680 L CA -0.821 53.974 54.840 -0.075 0.000 0.819 680 L CB 2.220 44.364 42.059 0.142 0.000 1.284 680 L HN 0.727 nan 8.230 nan 0.000 0.418 681 G N 0.892 109.036 108.800 -1.094 0.000 2.732 681 G HA2 0.635 4.476 3.960 -0.198 0.000 0.295 681 G HA3 0.635 4.476 3.960 -0.198 0.000 0.295 681 G C -0.985 173.550 174.900 -0.607 0.000 1.456 681 G CA -0.242 44.158 45.100 -1.165 0.000 1.050 681 G HN 0.603 nan 8.290 nan 0.000 0.525 682 S N 0.872 116.373 115.700 -0.332 0.000 2.697 682 S HA 0.608 4.959 4.470 -0.198 0.000 0.289 682 S C 0.332 174.749 174.600 -0.305 0.000 1.149 682 S CA -0.528 57.521 58.200 -0.251 0.000 0.850 682 S CB 1.639 64.735 63.200 -0.174 0.000 1.151 682 S HN 1.131 nan 8.310 nan 0.000 0.491 683 N N -0.199 118.321 118.700 -0.300 0.000 2.740 683 N HA -0.144 4.477 4.740 -0.198 0.000 0.248 683 N C -1.011 174.347 175.510 -0.254 0.000 1.062 683 N CA 0.305 53.140 53.050 -0.359 0.000 0.704 683 N CB -1.023 37.004 38.487 -0.767 0.000 0.968 683 N HN 0.697 nan 8.380 nan 0.000 0.547 684 I N 1.766 122.228 120.570 -0.179 0.000 2.452 684 I HA 0.048 4.099 4.170 -0.198 0.000 0.287 684 I C 0.454 176.532 176.117 -0.066 0.000 1.079 684 I CA 0.477 61.704 61.300 -0.123 0.000 1.387 684 I CB 0.950 38.819 38.000 -0.218 0.000 1.404 684 I HN 0.115 nan 8.210 nan 0.000 0.522 685 Q N 5.326 125.110 119.800 -0.027 0.000 2.359 685 Q HA 0.450 4.671 4.340 -0.198 0.000 0.274 685 Q C -1.048 174.962 176.000 0.018 0.000 1.074 685 Q CA -1.023 54.773 55.803 -0.012 0.000 0.810 685 Q CB 2.853 31.570 28.738 -0.035 0.000 1.342 685 Q HN 0.451 nan 8.270 nan 0.000 0.427 686 N N 0.256 118.968 118.700 0.021 0.000 2.480 686 N HA 0.203 4.824 4.740 -0.198 0.000 0.289 686 N C -0.375 175.141 175.510 0.011 0.000 1.073 686 N CA -0.265 52.802 53.050 0.028 0.000 0.885 686 N CB 1.666 40.185 38.487 0.054 0.000 1.421 686 N HN 0.657 nan 8.380 nan 0.000 0.503 687 T N -0.902 113.650 114.554 -0.004 0.000 3.069 687 T HA 0.168 4.399 4.350 -0.198 0.000 0.252 687 T C 0.911 175.604 174.700 -0.011 0.000 1.053 687 T CA 0.065 62.158 62.100 -0.012 0.000 0.964 687 T CB -0.219 68.634 68.868 -0.025 0.000 1.005 687 T HN 0.387 nan 8.240 nan 0.000 0.532 688 S N 1.423 117.120 115.700 -0.005 0.000 2.713 688 S HA 0.373 4.724 4.470 -0.198 0.000 0.277 688 S C 1.354 175.962 174.600 0.013 0.000 1.168 688 S CA 0.117 58.316 58.200 -0.001 0.000 0.994 688 S CB 1.145 64.346 63.200 0.001 0.000 1.054 688 S HN 0.350 nan 8.310 nan 0.000 0.555 689 T N -1.543 113.020 114.554 0.016 0.000 3.057 689 T HA 0.184 4.415 4.350 -0.198 0.000 0.254 689 T C 0.076 174.791 174.700 0.026 0.000 1.094 689 T CA -0.111 62.000 62.100 0.018 0.000 1.088 689 T CB -0.548 68.328 68.868 0.013 0.000 0.934 689 T HN 0.624 nan 8.240 nan 0.000 0.497 690 D N 3.380 123.803 120.400 0.039 0.000 2.362 690 D HA 0.196 4.717 4.640 -0.198 0.000 0.242 690 D C 0.159 176.491 176.300 0.052 0.000 1.132 690 D CA 0.119 54.148 54.000 0.049 0.000 0.907 690 D CB 0.988 41.835 40.800 0.078 0.000 1.195 690 D HN 0.292 nan 8.370 nan 0.000 0.429 691 T N -0.972 113.609 114.554 0.045 0.000 2.907 691 T HA 0.489 4.720 4.350 -0.198 0.000 0.298 691 T C 0.047 174.792 174.700 0.075 0.000 1.017 691 T CA -0.936 61.192 62.100 0.047 0.000 1.118 691 T CB 1.303 70.184 68.868 0.022 0.000 0.948 691 T HN 0.446 nan 8.240 nan 0.000 0.531 692 A N 1.378 124.256 122.820 0.098 0.000 2.330 692 A HA 0.892 5.093 4.320 -0.198 0.000 0.327 692 A C -0.116 177.564 177.584 0.159 0.000 1.155 692 A CA -0.737 51.394 52.037 0.158 0.000 0.803 692 A CB 0.885 20.005 19.000 0.199 0.000 1.208 692 A HN 1.471 nan 8.150 nan 0.000 0.477 693 A N 1.104 124.033 122.820 0.181 0.000 2.604 693 A HA 0.771 4.972 4.320 -0.198 0.000 0.295 693 A C -0.487 177.189 177.584 0.153 0.000 1.067 693 A CA -0.429 51.633 52.037 0.042 0.000 0.683 693 A CB 0.996 19.962 19.000 -0.056 0.000 1.281 693 A HN 0.836 nan 8.150 nan 0.000 0.407 694 T N 1.737 116.360 114.554 0.114 0.000 2.794 694 T HA 0.534 4.765 4.350 -0.198 0.000 0.280 694 T C -0.132 174.564 174.700 -0.007 0.000 0.987 694 T CA 0.025 62.202 62.100 0.128 0.000 0.993 694 T CB 1.115 70.070 68.868 0.146 0.000 0.939 694 T HN 0.568 nan 8.240 nan 0.000 0.449 695 T N 4.276 118.838 114.554 0.014 0.000 2.739 695 T HA 0.244 4.475 4.350 -0.198 0.000 0.298 695 T C 1.685 176.379 174.700 -0.009 0.000 0.929 695 T CA -0.271 61.826 62.100 -0.006 0.000 1.014 695 T CB -0.012 68.874 68.868 0.030 0.000 0.914 695 T HN 0.449 nan 8.240 nan 0.000 0.509 696 I N 1.824 122.310 120.570 -0.141 0.000 2.315 696 I HA -0.011 4.040 4.170 -0.198 0.000 0.248 696 I C 1.000 177.055 176.117 -0.103 0.000 1.117 696 I CA 1.154 62.275 61.300 -0.299 0.000 1.404 696 I CB 0.260 37.866 38.000 -0.657 0.000 1.071 696 I HN 0.527 nan 8.210 nan 0.000 0.419 697 D N -1.052 119.300 120.400 -0.080 0.000 2.728 697 D HA 0.176 4.697 4.640 -0.198 0.000 0.249 697 D C -1.429 174.877 176.300 0.009 0.000 1.225 697 D CA -0.458 53.574 54.000 0.053 0.000 0.748 697 D CB 1.277 42.123 40.800 0.077 0.000 1.326 697 D HN -0.074 nan 8.370 nan 0.000 0.426 698 Q N 2.445 122.280 119.800 0.058 0.000 2.786 698 Q HA 0.353 4.574 4.340 -0.198 0.000 0.240 698 Q C -1.326 174.833 176.000 0.265 0.000 0.928 698 Q CA -0.672 55.205 55.803 0.123 0.000 0.721 698 Q CB 1.072 29.838 28.738 0.048 0.000 1.318 698 Q HN 0.217 nan 8.270 nan 0.000 0.474 699 R N 2.035 122.667 120.500 0.221 0.000 2.312 699 R HA 0.288 4.509 4.340 -0.198 0.000 0.311 699 R C -0.792 175.570 176.300 0.104 0.000 1.004 699 R CA -0.293 55.947 56.100 0.232 0.000 0.902 699 R CB 0.925 31.250 30.300 0.042 0.000 1.073 699 R HN 0.207 nan 8.270 nan 0.000 0.457 700 K N 5.296 125.664 120.400 -0.053 0.000 2.297 700 K HA 0.186 4.387 4.320 -0.198 0.000 0.286 700 K C -0.490 175.894 176.600 -0.359 0.000 1.053 700 K CA -0.183 55.610 56.287 -0.824 0.000 0.940 700 K CB 0.433 32.294 32.500 -1.065 0.000 1.019 700 K HN 0.567 nan 8.250 nan 0.000 0.475 701 L N 2.945 123.957 121.223 -0.352 0.000 2.439 701 L HA 0.333 4.554 4.340 -0.198 0.000 0.259 701 L C 0.327 177.100 176.870 -0.161 0.000 1.129 701 L CA -0.568 54.192 54.840 -0.134 0.000 0.803 701 L CB 0.767 42.785 42.059 -0.068 0.000 1.161 701 L HN 0.521 nan 8.230 nan 0.000 0.462 702 E N -0.340 119.787 120.200 -0.122 0.000 2.158 702 E HA 0.131 4.362 4.350 -0.198 0.000 0.271 702 E C 0.369 176.911 176.600 -0.096 0.000 0.911 702 E CA -0.267 56.065 56.400 -0.113 0.000 0.767 702 E CB 1.798 31.428 29.700 -0.117 0.000 1.120 702 E HN 0.680 nan 8.360 nan 0.000 0.405 703 S N 1.516 117.173 115.700 -0.071 0.000 2.419 703 S HA -0.210 4.141 4.470 -0.198 0.000 0.233 703 S C 1.888 176.455 174.600 -0.055 0.000 1.016 703 S CA 1.492 59.660 58.200 -0.054 0.000 0.974 703 S CB -0.186 62.992 63.200 -0.037 0.000 0.786 703 S HN 0.481 nan 8.310 nan 0.000 0.492 704 S N 1.506 117.172 115.700 -0.057 0.000 2.425 704 S HA 0.115 4.466 4.470 -0.198 0.000 0.225 704 S C 0.920 175.472 174.600 -0.079 0.000 1.024 704 S CA 0.123 58.291 58.200 -0.054 0.000 0.951 704 S CB -0.549 62.628 63.200 -0.037 0.000 0.796 704 S HN 0.559 nan 8.310 nan 0.000 0.498 705 N N 3.266 121.893 118.700 -0.122 0.000 2.990 705 N HA 0.308 4.929 4.740 -0.198 0.000 0.288 705 N C -2.908 172.438 175.510 -0.273 0.000 1.624 705 N CA -1.106 51.832 53.050 -0.186 0.000 0.961 705 N CB 1.208 39.563 38.487 -0.220 0.000 1.259 705 N HN 0.424 nan 8.380 nan 0.000 0.489 706 P HA 0.006 nan 4.420 nan 0.000 0.268 706 P C -0.827 176.362 177.300 -0.185 0.000 1.208 706 P CA 0.331 63.344 63.100 -0.144 0.000 0.777 706 P CB 0.724 32.387 31.700 -0.062 0.000 0.875 707 Y N 0.208 120.471 120.300 -0.063 0.000 2.420 707 Y HA 0.423 4.854 4.550 -0.198 0.000 0.334 707 Y C 1.077 176.934 175.900 -0.072 0.000 1.094 707 Y CA -0.343 57.713 58.100 -0.074 0.000 1.126 707 Y CB 1.705 40.105 38.460 -0.101 0.000 1.217 707 Y HN 0.234 nan 8.280 nan 0.000 0.462 708 K N 1.783 122.267 120.400 0.140 0.000 2.293 708 K HA 0.578 4.779 4.320 -0.198 0.000 0.267 708 K C -1.663 174.879 176.600 -0.098 0.000 1.010 708 K CA -0.444 55.828 56.287 -0.025 0.000 0.875 708 K CB 0.757 33.263 32.500 0.009 0.000 1.106 708 K HN 0.457 nan 8.250 nan 0.000 0.450 709 V N 5.668 125.462 119.914 -0.200 0.000 2.432 709 V HA 0.278 4.279 4.120 -0.198 0.000 0.275 709 V C -0.822 175.109 176.094 -0.271 0.000 1.043 709 V CA -0.507 61.691 62.300 -0.169 0.000 0.925 709 V CB 0.240 31.979 31.823 -0.139 0.000 0.985 709 V HN 0.605 nan 8.190 nan 0.000 0.466 710 Y N 2.922 123.237 120.300 0.026 0.000 2.393 710 Y HA 0.656 5.087 4.550 -0.198 0.000 0.341 710 Y C -0.049 175.864 175.900 0.022 0.000 0.988 710 Y CA -0.927 57.209 58.100 0.061 0.000 1.078 710 Y CB 2.167 40.725 38.460 0.163 0.000 1.203 710 Y HN 0.335 nan 8.280 nan 0.000 0.453 711 V N 3.873 123.859 119.914 0.120 0.000 2.376 711 V HA 0.272 4.273 4.120 -0.198 0.000 0.287 711 V C -0.497 175.675 176.094 0.131 0.000 1.015 711 V CA -1.171 61.147 62.300 0.030 0.000 0.834 711 V CB 1.131 32.807 31.823 -0.245 0.000 1.001 711 V HN 0.948 nan 8.190 nan 0.000 0.428 712 N N 3.376 122.186 118.700 0.185 0.000 2.747 712 N HA -0.185 4.436 4.740 -0.198 0.000 0.249 712 N C 0.425 176.032 175.510 0.161 0.000 1.107 712 N CA 1.331 54.484 53.050 0.172 0.000 0.707 712 N CB -1.103 37.463 38.487 0.132 0.000 1.054 712 N HN 1.063 nan 8.380 nan 0.000 0.555 713 D N -1.526 118.997 120.400 0.205 0.000 2.945 713 D HA -0.196 4.325 4.640 -0.198 0.000 0.225 713 D C -0.874 175.581 176.300 0.258 0.000 1.158 713 D CA 1.379 55.475 54.000 0.160 0.000 0.805 713 D CB -0.571 40.252 40.800 0.039 0.000 1.098 713 D HN 0.575 nan 8.370 nan 0.000 0.426 714 K N 0.612 121.194 120.400 0.304 0.000 2.463 714 K HA 0.303 4.504 4.320 -0.198 0.000 0.255 714 K C -0.270 176.439 176.600 0.182 0.000 0.942 714 K CA -0.904 55.528 56.287 0.242 0.000 0.814 714 K CB 1.673 34.259 32.500 0.143 0.000 1.122 714 K HN 0.143 nan 8.250 nan 0.000 0.425 715 E N 2.158 122.405 120.200 0.079 0.000 2.608 715 E HA 0.014 4.245 4.350 -0.198 0.000 0.259 715 E C -1.190 175.349 176.600 -0.102 0.000 0.951 715 E CA 0.261 56.529 56.400 -0.219 0.000 0.945 715 E CB 0.522 30.112 29.700 -0.183 0.000 0.916 715 E HN 0.570 nan 8.360 nan 0.000 0.477 716 A N 3.806 126.536 122.820 -0.150 0.000 2.386 716 A HA 0.555 4.756 4.320 -0.198 0.000 0.311 716 A C -1.004 176.553 177.584 -0.046 0.000 1.068 716 A CA -0.755 51.252 52.037 -0.050 0.000 0.743 716 A CB 1.795 20.733 19.000 -0.103 0.000 1.258 716 A HN 0.585 nan 8.150 nan 0.000 0.429 717 S N 2.481 118.193 115.700 0.020 0.000 2.461 717 S HA 0.551 4.902 4.470 -0.198 0.000 0.322 717 S C -0.244 174.385 174.600 0.048 0.000 1.063 717 S CA -0.513 57.694 58.200 0.012 0.000 1.120 717 S CB 0.237 63.443 63.200 0.010 0.000 0.968 717 S HN 0.555 nan 8.310 nan 0.000 0.467 718 L N 3.416 124.657 121.223 0.029 0.000 2.375 718 L HA 0.567 4.788 4.340 -0.198 0.000 0.271 718 L C 0.850 177.738 176.870 0.030 0.000 1.107 718 L CA -0.388 54.481 54.840 0.048 0.000 0.806 718 L CB 1.059 43.132 42.059 0.023 0.000 1.146 718 L HN 0.717 nan 8.230 nan 0.000 0.447 719 T N -3.281 111.292 114.554 0.032 0.000 2.888 719 T HA 0.237 4.468 4.350 -0.198 0.000 0.288 719 T C 0.599 175.307 174.700 0.013 0.000 1.063 719 T CA -0.822 61.287 62.100 0.016 0.000 1.010 719 T CB 2.084 70.957 68.868 0.008 0.000 1.214 719 T HN 0.550 nan 8.240 nan 0.000 0.533 720 E N -0.092 120.112 120.200 0.007 0.000 2.077 720 E HA -0.111 4.120 4.350 -0.198 0.000 0.193 720 E C 0.626 177.226 176.600 -0.001 0.000 0.989 720 E CA 0.942 57.345 56.400 0.005 0.000 0.800 720 E CB 0.120 29.821 29.700 0.002 0.000 0.746 720 E HN 0.517 nan 8.360 nan 0.000 0.452 721 Q N 1.441 121.238 119.800 -0.006 0.000 2.313 721 Q HA 0.018 4.239 4.340 -0.198 0.000 0.266 721 Q C -0.591 175.400 176.000 -0.015 0.000 0.989 721 Q CA 0.188 55.981 55.803 -0.015 0.000 0.890 721 Q CB 0.817 29.543 28.738 -0.021 0.000 1.200 721 Q HN 0.158 nan 8.270 nan 0.000 0.396 722 E N 2.517 122.704 120.200 -0.022 0.000 2.442 722 E HA -0.038 4.193 4.350 -0.198 0.000 0.262 722 E C -0.835 175.738 176.600 -0.045 0.000 1.004 722 E CA 0.734 57.120 56.400 -0.022 0.000 0.928 722 E CB 0.619 30.299 29.700 -0.032 0.000 0.937 722 E HN 0.234 nan 8.360 nan 0.000 0.446 723 K N 2.565 122.940 120.400 -0.043 0.000 2.324 723 K HA 0.275 4.476 4.320 -0.198 0.000 0.253 723 K C -1.343 175.100 176.600 -0.262 0.000 0.932 723 K CA -0.833 55.353 56.287 -0.168 0.000 0.799 723 K CB 1.430 33.827 32.500 -0.171 0.000 1.154 723 K HN 0.359 nan 8.250 nan 0.000 0.425 724 D N 1.734 121.911 120.400 -0.370 0.000 2.177 724 D HA 0.194 4.715 4.640 -0.198 0.000 0.247 724 D C -0.849 175.132 176.300 -0.532 0.000 1.063 724 D CA -0.064 53.753 54.000 -0.305 0.000 0.867 724 D CB 0.927 41.616 40.800 -0.185 0.000 1.168 724 D HN 0.356 nan 8.370 nan 0.000 0.445 725 Y N 1.388 121.633 120.300 -0.091 0.000 2.555 725 Y HA 0.276 4.707 4.550 -0.198 0.000 0.326 725 Y C -2.154 173.680 175.900 -0.110 0.000 0.984 725 Y CA -2.063 55.985 58.100 -0.086 0.000 1.298 725 Y CB 1.656 40.065 38.460 -0.085 0.000 1.094 725 Y HN 0.096 nan 8.280 nan 0.000 0.500 726 P HA 0.130 nan 4.420 nan 0.000 0.276 726 P C -0.240 177.053 177.300 -0.012 0.000 1.244 726 P CA -0.218 62.862 63.100 -0.032 0.000 0.801 726 P CB 0.796 32.472 31.700 -0.040 0.000 1.006 727 E N -2.119 118.062 120.200 -0.031 0.000 2.476 727 E HA -0.154 4.077 4.350 -0.198 0.000 0.251 727 E C -0.640 175.956 176.600 -0.007 0.000 1.130 727 E CA 0.912 57.304 56.400 -0.012 0.000 0.736 727 E CB -2.701 27.007 29.700 0.013 0.000 1.298 727 E HN 0.419 nan 8.360 nan 0.000 0.400 728 T N 0.762 115.270 114.554 -0.077 0.000 2.761 728 T HA 0.211 4.442 4.350 -0.198 0.000 0.296 728 T C 1.302 175.986 174.700 -0.025 0.000 0.934 728 T CA 0.047 62.100 62.100 -0.077 0.000 1.091 728 T CB 1.380 70.107 68.868 -0.235 0.000 0.896 728 T HN 0.193 nan 8.240 nan 0.000 0.515 729 Q N 2.597 122.494 119.800 0.161 0.000 2.391 729 Q HA 0.185 4.406 4.340 -0.198 0.000 0.211 729 Q C 0.449 176.768 176.000 0.531 0.000 0.908 729 Q CA 0.105 56.086 55.803 0.296 0.000 0.920 729 Q CB 0.540 29.432 28.738 0.257 0.000 1.056 729 Q HN 0.768 nan 8.270 nan 0.000 0.523 730 S N -2.400 113.608 115.700 0.514 0.000 2.595 730 S HA 0.661 5.013 4.470 -0.198 0.000 0.270 730 S C -1.449 173.442 174.600 0.485 0.000 1.145 730 S CA -0.895 57.667 58.200 0.603 0.000 0.825 730 S CB 1.438 64.987 63.200 0.582 0.000 1.107 730 S HN -0.089 nan 8.310 nan 0.000 0.461 731 V N 2.001 122.204 119.914 0.482 0.000 2.760 731 V HA 0.771 4.772 4.120 -0.198 0.000 0.309 731 V C -1.631 174.614 176.094 0.251 0.000 1.077 731 V CA -0.545 61.944 62.300 0.316 0.000 0.910 731 V CB 1.786 33.752 31.823 0.239 0.000 1.008 731 V HN 0.926 nan 8.190 nan 0.000 0.424 732 F N 5.093 125.038 119.950 -0.008 0.000 2.539 732 F HA 0.671 5.079 4.527 -0.198 0.000 0.318 732 F C -0.898 174.863 175.800 -0.067 0.000 1.135 732 F CA -0.774 57.085 58.000 -0.234 0.000 0.915 732 F CB 1.591 40.412 39.000 -0.299 0.000 1.176 732 F HN 0.301 nan 8.300 nan 0.000 0.440 733 L N 5.663 126.345 121.223 -0.900 0.000 2.264 733 L HA 0.398 4.619 4.340 -0.198 0.000 0.287 733 L C -0.330 176.105 176.870 -0.725 0.000 1.039 733 L CA -0.408 54.004 54.840 -0.714 0.000 0.829 733 L CB 1.273 42.738 42.059 -0.990 0.000 1.211 733 L HN 0.620 nan 8.230 nan 0.000 0.427 734 E N 2.949 123.070 120.200 -0.132 0.000 2.109 734 E HA 0.311 4.542 4.350 -0.198 0.000 0.278 734 E C -0.794 175.936 176.600 0.218 0.000 0.954 734 E CA -0.202 56.260 56.400 0.102 0.000 0.779 734 E CB 1.623 31.617 29.700 0.490 0.000 1.093 734 E HN 0.532 nan 8.360 nan 0.000 0.401 735 S N 2.244 118.007 115.700 0.105 0.000 2.747 735 S HA 0.220 4.571 4.470 -0.198 0.000 0.300 735 S C 1.103 175.695 174.600 -0.014 0.000 1.121 735 S CA 0.015 58.163 58.200 -0.087 0.000 0.995 735 S CB 1.408 64.451 63.200 -0.261 0.000 1.113 735 S HN 0.594 nan 8.310 nan 0.000 0.547 736 S N 0.662 116.331 115.700 -0.052 0.000 2.428 736 S HA 0.019 4.370 4.470 -0.198 0.000 0.230 736 S C 0.330 174.928 174.600 -0.002 0.000 1.014 736 S CA 0.523 58.716 58.200 -0.011 0.000 0.957 736 S CB -0.371 62.813 63.200 -0.026 0.000 0.784 736 S HN 0.725 nan 8.310 nan 0.000 0.499 737 D N 1.198 121.583 120.400 -0.025 0.000 2.412 737 D HA 0.437 4.958 4.640 -0.198 0.000 0.224 737 D C 0.500 176.812 176.300 0.019 0.000 1.093 737 D CA -0.203 53.796 54.000 -0.003 0.000 0.850 737 D CB 1.411 42.201 40.800 -0.017 0.000 1.046 737 D HN 0.034 nan 8.370 nan 0.000 0.507 738 S N 2.797 118.524 115.700 0.045 0.000 2.420 738 S HA -0.178 4.173 4.470 -0.198 0.000 0.237 738 S C 1.437 176.074 174.600 0.062 0.000 1.023 738 S CA 1.041 59.282 58.200 0.068 0.000 0.991 738 S CB 0.078 63.321 63.200 0.073 0.000 0.792 738 S HN 0.352 nan 8.310 nan 0.000 0.488 739 K N 0.930 121.365 120.400 0.059 0.000 2.569 739 K HA 0.176 4.377 4.320 -0.198 0.000 0.193 739 K C 0.963 177.602 176.600 0.065 0.000 1.026 739 K CA 0.482 56.815 56.287 0.076 0.000 1.093 739 K CB 0.112 32.665 32.500 0.089 0.000 0.849 739 K HN 0.170 nan 8.250 nan 0.000 0.509 740 K N -0.603 119.821 120.400 0.040 0.000 2.520 740 K HA 0.176 4.377 4.320 -0.198 0.000 0.206 740 K C -0.522 176.134 176.600 0.094 0.000 1.122 740 K CA -0.246 56.069 56.287 0.047 0.000 1.045 740 K CB 0.641 33.127 32.500 -0.023 0.000 0.932 740 K HN -0.008 nan 8.250 nan 0.000 0.571 741 N N 1.405 120.109 118.700 0.006 0.000 2.525 741 N HA 0.274 4.895 4.740 -0.198 0.000 0.271 741 N C -0.623 174.696 175.510 -0.318 0.000 1.194 741 N CA 0.247 53.205 53.050 -0.153 0.000 0.964 741 N CB 0.784 39.217 38.487 -0.090 0.000 1.126 741 N HN 0.046 nan 8.380 nan 0.000 0.452 742 I N 0.116 120.311 120.570 -0.625 0.000 2.512 742 I HA 0.428 4.479 4.170 -0.198 0.000 0.287 742 I C 0.359 175.881 176.117 -0.991 0.000 1.069 742 I CA -0.813 60.063 61.300 -0.705 0.000 1.056 742 I CB 2.183 39.799 38.000 -0.640 0.000 1.229 742 I HN 0.379 nan 8.210 nan 0.000 0.429 743 G N 4.760 113.028 108.800 -0.887 0.000 2.448 743 G HA2 0.730 4.571 3.960 -0.198 0.000 0.324 743 G HA3 0.730 4.571 3.960 -0.198 0.000 0.324 743 G C -1.752 172.699 174.900 -0.748 0.000 1.203 743 G CA -0.423 44.101 45.100 -0.959 0.000 0.954 743 G HN 0.427 nan 8.290 nan 0.000 0.480 744 Y N 0.684 120.913 120.300 -0.118 0.000 2.327 744 Y HA 0.424 4.855 4.550 -0.198 0.000 0.325 744 Y C -0.851 175.004 175.900 -0.076 0.000 0.999 744 Y CA -1.098 56.884 58.100 -0.197 0.000 1.195 744 Y CB 2.082 40.240 38.460 -0.503 0.000 1.132 744 Y HN 0.503 nan 8.280 nan 0.000 0.455 745 F N 4.869 124.743 119.950 -0.126 0.000 2.385 745 F HA 0.590 4.998 4.527 -0.198 0.000 0.360 745 F C -1.398 174.106 175.800 -0.494 0.000 1.122 745 F CA -2.258 55.629 58.000 -0.189 0.000 1.090 745 F CB 0.227 39.107 39.000 -0.199 0.000 1.150 745 F HN 0.290 nan 8.300 nan 0.000 0.472 746 F N 7.898 127.541 119.950 -0.511 0.000 2.375 746 F HA 0.245 4.653 4.527 -0.198 0.000 0.362 746 F C 0.704 175.956 175.800 -0.914 0.000 1.129 746 F CA -0.417 57.257 58.000 -0.543 0.000 1.154 746 F CB 0.149 39.051 39.000 -0.163 0.000 1.205 746 F HN 0.456 nan 8.300 nan 0.000 0.513 747 F N 1.020 120.626 119.950 -0.573 0.000 2.141 747 F HA -0.210 4.198 4.527 -0.198 0.000 0.300 747 F C 1.186 176.881 175.800 -0.175 0.000 1.079 747 F CA 1.322 59.038 58.000 -0.473 0.000 1.264 747 F CB -0.510 38.378 39.000 -0.186 0.000 1.011 747 F HN 0.170 nan 8.300 nan 0.000 0.487 748 K N 0.345 120.818 120.400 0.123 0.000 2.378 748 K HA 0.295 4.496 4.320 -0.198 0.000 0.252 748 K C -0.435 176.225 176.600 0.099 0.000 0.931 748 K CA -0.983 55.373 56.287 0.115 0.000 0.794 748 K CB 2.249 34.822 32.500 0.121 0.000 1.181 748 K HN -0.117 nan 8.250 nan 0.000 0.425 749 K N 1.647 122.091 120.400 0.074 0.000 2.491 749 K HA 0.019 4.220 4.320 -0.198 0.000 0.279 749 K C -0.192 176.396 176.600 -0.019 0.000 1.026 749 K CA 0.598 56.905 56.287 0.033 0.000 1.070 749 K CB 0.234 32.756 32.500 0.036 0.000 0.887 749 K HN 0.634 nan 8.250 nan 0.000 0.481 750 S N 0.902 116.515 115.700 -0.145 0.000 2.632 750 S HA 0.356 4.707 4.470 -0.198 0.000 0.289 750 S C -0.734 173.718 174.600 -0.247 0.000 1.115 750 S CA -1.120 56.972 58.200 -0.180 0.000 0.889 750 S CB 1.959 65.044 63.200 -0.192 0.000 1.116 750 S HN 0.332 nan 8.310 nan 0.000 0.486 751 S N 1.374 116.974 115.700 -0.167 0.000 2.430 751 S HA 0.602 4.953 4.470 -0.198 0.000 0.289 751 S C 0.016 174.506 174.600 -0.183 0.000 1.143 751 S CA -0.701 57.412 58.200 -0.145 0.000 1.067 751 S CB -0.696 62.450 63.200 -0.090 0.000 0.964 751 S HN 0.618 nan 8.310 nan 0.000 0.485 752 I N 0.198 120.658 120.570 -0.182 0.000 3.108 752 I HA 0.826 4.877 4.170 -0.198 0.000 0.312 752 I C -0.436 175.653 176.117 -0.048 0.000 1.095 752 I CA -0.721 60.477 61.300 -0.169 0.000 1.000 752 I CB 2.303 40.132 38.000 -0.284 0.000 1.229 752 I HN 0.308 nan 8.210 nan 0.000 0.454 753 S N 2.951 118.624 115.700 -0.044 0.000 2.548 753 S HA 0.785 5.136 4.470 -0.198 0.000 0.286 753 S C -0.697 173.919 174.600 0.026 0.000 1.098 753 S CA -0.763 57.445 58.200 0.013 0.000 0.930 753 S CB 1.733 64.909 63.200 -0.040 0.000 1.070 753 S HN 0.598 nan 8.310 nan 0.000 0.480 754 M N 2.087 121.749 119.600 0.103 0.000 2.531 754 M HA 0.597 4.958 4.480 -0.198 0.000 0.286 754 M C -1.173 175.167 176.300 0.066 0.000 1.232 754 M CA -0.524 54.809 55.300 0.056 0.000 0.877 754 M CB 2.526 35.149 32.600 0.037 0.000 1.726 754 M HN 0.808 nan 8.290 nan 0.000 0.463 755 S N 1.153 116.868 115.700 0.026 0.000 2.552 755 S HA 0.632 4.983 4.470 -0.198 0.000 0.272 755 S C -1.703 172.911 174.600 0.022 0.000 1.150 755 S CA -1.053 57.163 58.200 0.026 0.000 0.849 755 S CB 2.446 65.653 63.200 0.012 0.000 1.113 755 S HN 0.764 nan 8.310 nan 0.000 0.458 756 K N 1.047 121.462 120.400 0.026 0.000 2.426 756 K HA 0.820 5.021 4.320 -0.198 0.000 0.254 756 K C -1.082 175.539 176.600 0.036 0.000 0.936 756 K CA -0.521 55.785 56.287 0.033 0.000 0.801 756 K CB 1.640 34.152 32.500 0.021 0.000 1.139 756 K HN 1.234 nan 8.250 nan 0.000 0.424 757 A N 3.368 126.223 122.820 0.058 0.000 2.604 757 A HA 0.453 4.654 4.320 -0.198 0.000 0.295 757 A C -2.049 175.581 177.584 0.077 0.000 1.067 757 A CA -0.833 51.233 52.037 0.049 0.000 0.683 757 A CB 1.266 20.284 19.000 0.030 0.000 1.281 757 A HN 0.650 nan 8.150 nan 0.000 0.407 758 L N 0.884 122.138 121.223 0.051 0.000 2.360 758 L HA 0.442 4.663 4.340 -0.198 0.000 0.276 758 L C -0.004 176.901 176.870 0.058 0.000 1.121 758 L CA 0.912 55.787 54.840 0.059 0.000 0.845 758 L CB 0.497 42.573 42.059 0.029 0.000 1.143 758 L HN 0.665 nan 8.230 nan 0.000 0.452 759 Q N 5.182 125.039 119.800 0.094 0.000 2.341 759 Q HA 0.391 4.612 4.340 -0.198 0.000 0.268 759 Q C -0.893 175.106 176.000 -0.001 0.000 1.013 759 Q CA -0.599 55.214 55.803 0.018 0.000 0.798 759 Q CB 1.801 30.498 28.738 -0.068 0.000 1.253 759 Q HN 0.550 nan 8.270 nan 0.000 0.457 760 K N 0.848 121.233 120.400 -0.025 0.000 2.098 760 K HA 0.808 5.009 4.320 -0.198 0.000 0.261 760 K C -0.013 176.548 176.600 -0.066 0.000 0.987 760 K CA -0.518 55.750 56.287 -0.031 0.000 0.916 760 K CB 1.456 33.947 32.500 -0.016 0.000 1.039 760 K HN 0.722 nan 8.250 nan 0.000 0.455 761 G N -0.483 108.274 108.800 -0.073 0.000 2.441 761 G HA2 0.576 4.417 3.960 -0.198 0.000 0.294 761 G HA3 0.576 4.417 3.960 -0.198 0.000 0.294 761 G C -2.021 172.821 174.900 -0.098 0.000 1.393 761 G CA -0.571 44.467 45.100 -0.104 0.000 0.796 761 G HN 0.647 nan 8.290 nan 0.000 0.494 762 A N -1.423 121.336 122.820 -0.102 0.000 2.498 762 A HA 0.657 4.858 4.320 -0.198 0.000 0.298 762 A C -0.010 177.541 177.584 -0.055 0.000 1.075 762 A CA -0.593 51.422 52.037 -0.037 0.000 0.714 762 A CB 0.874 19.893 19.000 0.033 0.000 1.299 762 A HN 0.878 nan 8.150 nan 0.000 0.407 763 W N 0.840 122.146 121.300 0.010 0.000 2.374 763 W HA -0.072 4.470 4.660 -0.197 0.000 0.288 763 W C 2.111 178.620 176.519 -0.017 0.000 1.218 763 W CA 1.684 59.032 57.345 0.006 0.000 1.245 763 W CB 0.274 29.745 29.460 0.019 0.000 1.126 763 W HN 0.798 nan 8.180 nan 0.000 0.545 764 K N 0.536 121.052 120.400 0.195 0.000 2.209 764 K HA -0.198 4.003 4.320 -0.198 0.000 0.204 764 K C 1.192 177.818 176.600 0.043 0.000 1.048 764 K CA 1.712 58.061 56.287 0.104 0.000 0.940 764 K CB -0.250 32.298 32.500 0.079 0.000 0.729 764 K HN 0.026 nan 8.250 nan 0.000 0.451 765 D N 0.551 120.956 120.400 0.009 0.000 2.182 765 D HA -0.168 4.353 4.640 -0.198 0.000 0.201 765 D C 1.652 177.901 176.300 -0.085 0.000 0.986 765 D CA 1.389 55.364 54.000 -0.041 0.000 0.847 765 D CB 0.016 40.772 40.800 -0.075 0.000 0.942 765 D HN 0.561 nan 8.370 nan 0.000 0.467 766 I N -4.150 116.373 120.570 -0.079 0.000 4.227 766 I HA 0.264 4.315 4.170 -0.198 0.000 0.334 766 I C 0.118 176.191 176.117 -0.073 0.000 1.341 766 I CA -0.294 60.923 61.300 -0.138 0.000 1.123 766 I CB 0.486 38.382 38.000 -0.174 0.000 1.097 766 I HN -0.267 nan 8.210 nan 0.000 0.399 767 N N 1.857 120.565 118.700 0.014 0.000 2.664 767 N HA 0.070 4.691 4.740 -0.198 0.000 0.268 767 N C 0.516 176.055 175.510 0.048 0.000 1.222 767 N CA -0.014 53.058 53.050 0.037 0.000 0.805 767 N CB 1.195 39.730 38.487 0.079 0.000 1.399 767 N HN -0.017 nan 8.380 nan 0.000 0.547 768 E N 2.181 122.403 120.200 0.036 0.000 2.164 768 E HA -0.162 4.069 4.350 -0.198 0.000 0.206 768 E C 1.249 177.873 176.600 0.039 0.000 1.032 768 E CA 1.743 58.167 56.400 0.041 0.000 0.832 768 E CB -0.124 29.604 29.700 0.046 0.000 0.742 768 E HN 0.758 nan 8.360 nan 0.000 0.460 769 G N 0.351 109.169 108.800 0.030 0.000 3.026 769 G HA2 -0.083 3.758 3.960 -0.198 0.000 0.208 769 G HA3 -0.083 3.758 3.960 -0.198 0.000 0.208 769 G C 0.757 175.668 174.900 0.018 0.000 1.169 769 G CA -0.116 44.996 45.100 0.020 0.000 0.788 769 G HN 0.045 nan 8.290 nan 0.000 0.533 770 Q N 0.016 119.840 119.800 0.041 0.000 2.166 770 Q HA 0.369 4.590 4.340 -0.198 0.000 0.226 770 Q C 0.184 176.226 176.000 0.070 0.000 0.989 770 Q CA -0.453 55.379 55.803 0.048 0.000 0.966 770 Q CB 1.068 29.881 28.738 0.124 0.000 1.173 770 Q HN 0.134 nan 8.270 nan 0.000 0.509 771 S N 0.705 116.451 115.700 0.076 0.000 2.580 771 S HA 0.020 4.371 4.470 -0.198 0.000 0.274 771 S C 0.399 175.077 174.600 0.129 0.000 1.329 771 S CA -0.366 57.886 58.200 0.085 0.000 1.036 771 S CB 0.343 63.585 63.200 0.069 0.000 0.919 771 S HN 0.570 nan 8.310 nan 0.000 0.515 772 D N 2.684 123.137 120.400 0.088 0.000 2.328 772 D HA 0.026 4.547 4.640 -0.198 0.000 0.221 772 D C 0.406 176.753 176.300 0.078 0.000 1.072 772 D CA -0.153 53.895 54.000 0.079 0.000 0.850 772 D CB -0.205 40.626 40.800 0.052 0.000 0.922 772 D HN 0.534 nan 8.370 nan 0.000 0.516 773 K N 1.427 121.884 120.400 0.094 0.000 2.489 773 K HA -0.076 4.125 4.320 -0.198 0.000 0.278 773 K C 0.163 176.819 176.600 0.093 0.000 1.000 773 K CA -0.239 56.100 56.287 0.086 0.000 1.012 773 K CB 0.599 33.156 32.500 0.095 0.000 0.903 773 K HN 0.087 nan 8.250 nan 0.000 0.485 774 E N 2.957 123.195 120.200 0.062 0.000 2.360 774 E HA 0.132 4.363 4.350 -0.198 0.000 0.269 774 E C -1.157 175.475 176.600 0.053 0.000 1.022 774 E CA -0.664 55.763 56.400 0.045 0.000 0.887 774 E CB 0.851 30.568 29.700 0.028 0.000 0.990 774 E HN 0.279 nan 8.360 nan 0.000 0.426 775 V N 3.960 123.891 119.914 0.029 0.000 2.960 775 V HA 0.496 4.497 4.120 -0.198 0.000 0.315 775 V C -0.535 175.560 176.094 0.002 0.000 1.087 775 V CA -0.647 61.671 62.300 0.031 0.000 0.982 775 V CB 1.745 33.571 31.823 0.006 0.000 1.039 775 V HN 0.908 nan 8.190 nan 0.000 0.437 776 E N 1.918 122.129 120.200 0.018 0.000 2.392 776 E HA 0.611 4.842 4.350 -0.198 0.000 0.279 776 E C -1.820 174.797 176.600 0.028 0.000 0.964 776 E CA -1.039 55.373 56.400 0.021 0.000 0.777 776 E CB 2.535 32.247 29.700 0.019 0.000 1.249 776 E HN 0.517 nan 8.360 nan 0.000 0.449 777 N N 0.711 119.447 118.700 0.060 0.000 2.598 777 N HA 0.212 4.833 4.740 -0.198 0.000 0.263 777 N C -1.674 173.845 175.510 0.016 0.000 1.254 777 N CA -0.655 52.386 53.050 -0.014 0.000 0.863 777 N CB 2.441 40.877 38.487 -0.085 0.000 1.586 777 N HN 0.681 nan 8.380 nan 0.000 0.491 778 E N 0.425 120.542 120.200 -0.138 0.000 2.266 778 E HA 0.549 4.780 4.350 -0.198 0.000 0.277 778 E C -1.348 175.102 176.600 -0.251 0.000 1.018 778 E CA -0.121 56.236 56.400 -0.070 0.000 0.840 778 E CB 0.669 30.329 29.700 -0.067 0.000 1.082 778 E HN 0.287 nan 8.360 nan 0.000 0.395 779 F N 3.101 123.026 119.950 -0.042 0.000 2.576 779 F HA 0.381 4.789 4.527 -0.199 0.000 0.313 779 F C -0.966 174.816 175.800 -0.031 0.000 1.078 779 F CA -1.123 56.853 58.000 -0.041 0.000 0.921 779 F CB 1.549 40.505 39.000 -0.072 0.000 1.232 779 F HN 0.286 nan 8.300 nan 0.000 0.459 780 L N 2.814 124.119 121.223 0.135 0.000 2.305 780 L HA 0.632 4.853 4.340 -0.198 0.000 0.284 780 L C -0.693 176.205 176.870 0.048 0.000 1.013 780 L CA -0.124 54.745 54.840 0.048 0.000 0.819 780 L CB 0.734 42.778 42.059 -0.025 0.000 1.227 780 L HN 0.585 nan 8.230 nan 0.000 0.417 781 T N 6.812 121.377 114.554 0.018 0.000 2.797 781 T HA 0.704 4.935 4.350 -0.198 0.000 0.279 781 T C -0.125 174.535 174.700 -0.066 0.000 0.991 781 T CA -0.179 61.913 62.100 -0.014 0.000 0.979 781 T CB 1.270 70.132 68.868 -0.009 0.000 0.943 781 T HN 0.476 nan 8.240 nan 0.000 0.444 782 I N 2.853 123.352 120.570 -0.118 0.000 2.498 782 I HA 0.602 4.653 4.170 -0.198 0.000 0.290 782 I C -0.104 175.910 176.117 -0.172 0.000 1.032 782 I CA -0.606 60.585 61.300 -0.180 0.000 1.073 782 I CB 2.090 39.882 38.000 -0.346 0.000 1.251 782 I HN 0.740 nan 8.210 nan 0.000 0.426 783 S N 4.236 119.846 115.700 -0.149 0.000 2.570 783 S HA 0.537 4.888 4.470 -0.198 0.000 0.270 783 S C -1.235 173.269 174.600 -0.160 0.000 1.149 783 S CA -0.905 57.210 58.200 -0.141 0.000 0.837 783 S CB 2.184 65.327 63.200 -0.095 0.000 1.124 783 S HN 0.656 nan 8.310 nan 0.000 0.465 784 Q N 0.787 120.476 119.800 -0.185 0.000 2.327 784 Q HA 0.668 4.889 4.340 -0.198 0.000 0.270 784 Q C -0.697 175.029 176.000 -0.457 0.000 1.022 784 Q CA -0.840 54.816 55.803 -0.245 0.000 0.773 784 Q CB 1.703 30.352 28.738 -0.148 0.000 1.251 784 Q HN 1.057 nan 8.270 nan 0.000 0.457 785 A N 3.741 126.355 122.820 -0.343 0.000 2.371 785 A HA 0.341 4.542 4.320 -0.198 0.000 0.257 785 A C -0.904 176.430 177.584 -0.416 0.000 1.089 785 A CA -0.234 51.605 52.037 -0.330 0.000 0.794 785 A CB 0.336 19.250 19.000 -0.143 0.000 1.029 785 A HN 0.815 nan 8.150 nan 0.000 0.488 786 H N 2.285 121.386 119.070 0.052 0.000 2.736 786 H HA 0.242 4.679 4.556 -0.198 0.000 0.271 786 H C -0.129 175.224 175.328 0.042 0.000 1.184 786 H CA -0.377 55.708 56.048 0.061 0.000 1.378 786 H CB 1.003 30.820 29.762 0.092 0.000 1.428 786 H HN 0.775 nan 8.280 nan 0.000 0.500 787 K N 1.212 121.673 120.400 0.102 0.000 2.444 787 K HA 0.092 4.293 4.320 -0.198 0.000 0.193 787 K C 0.250 176.885 176.600 0.058 0.000 1.024 787 K CA 0.436 56.761 56.287 0.063 0.000 1.077 787 K CB 0.733 33.249 32.500 0.027 0.000 0.833 787 K HN 0.489 nan 8.250 nan 0.000 0.517 788 Q N -0.185 119.659 119.800 0.073 0.000 2.456 788 Q HA 0.267 4.488 4.340 -0.198 0.000 0.283 788 Q C -1.130 174.894 176.000 0.039 0.000 1.084 788 Q CA -1.071 54.760 55.803 0.046 0.000 0.801 788 Q CB 1.623 30.382 28.738 0.034 0.000 1.434 788 Q HN -0.016 nan 8.270 nan 0.000 0.419 789 N N 0.106 118.815 118.700 0.016 0.000 2.530 789 N HA 0.266 4.887 4.740 -0.198 0.000 0.273 789 N C 0.524 176.024 175.510 -0.016 0.000 1.173 789 N CA 1.231 54.279 53.050 -0.003 0.000 0.967 789 N CB 1.129 39.609 38.487 -0.011 0.000 1.109 789 N HN 0.905 nan 8.380 nan 0.000 0.453 790 G N 0.958 109.733 108.800 -0.042 0.000 2.137 790 G HA2 -0.226 3.615 3.960 -0.198 0.000 0.237 790 G HA3 -0.226 3.615 3.960 -0.198 0.000 0.237 790 G C -0.128 174.745 174.900 -0.044 0.000 1.002 790 G CA -0.170 44.894 45.100 -0.060 0.000 0.702 790 G HN 0.559 nan 8.290 nan 0.000 0.515 791 D N 0.435 120.818 120.400 -0.027 0.000 2.398 791 D HA 0.716 5.237 4.640 -0.198 0.000 0.247 791 D C 0.896 177.171 176.300 -0.041 0.000 1.227 791 D CA 0.912 54.922 54.000 0.016 0.000 0.980 791 D CB 1.332 42.194 40.800 0.103 0.000 1.106 791 D HN 0.812 nan 8.370 nan 0.000 0.493 792 S N -0.795 114.924 115.700 0.032 0.000 2.636 792 S HA 0.685 5.036 4.470 -0.198 0.000 0.268 792 S C -1.565 173.144 174.600 0.180 0.000 1.159 792 S CA -1.006 57.175 58.200 -0.032 0.000 0.815 792 S CB 1.314 64.473 63.200 -0.068 0.000 1.130 792 S HN 0.496 nan 8.310 nan 0.000 0.471 793 Y N -1.884 118.512 120.300 0.159 0.000 2.571 793 Y HA 0.908 5.339 4.550 -0.198 0.000 0.341 793 Y C -0.528 175.516 175.900 0.239 0.000 1.076 793 Y CA -0.775 57.492 58.100 0.278 0.000 1.029 793 Y CB 1.245 39.949 38.460 0.406 0.000 1.308 793 Y HN 1.306 nan 8.280 nan 0.000 0.461 794 G N 2.111 111.264 108.800 0.588 0.000 2.552 794 G HA2 0.536 4.377 3.960 -0.198 0.000 0.288 794 G HA3 0.536 4.377 3.960 -0.198 0.000 0.288 794 G C -2.305 172.860 174.900 0.441 0.000 1.358 794 G CA -0.761 44.641 45.100 0.503 0.000 1.305 794 G HN 1.155 nan 8.290 nan 0.000 0.602 795 Y N -0.243 120.155 120.300 0.163 0.000 2.609 795 Y HA 0.836 5.267 4.550 -0.198 0.000 0.336 795 Y C -0.911 174.805 175.900 -0.306 0.000 1.129 795 Y CA -2.049 55.753 58.100 -0.497 0.000 1.040 795 Y CB 1.929 40.001 38.460 -0.647 0.000 1.310 795 Y HN 0.550 nan 8.280 nan 0.000 0.460 796 M N 3.442 122.846 119.600 -0.327 0.000 2.268 796 M HA 0.567 4.928 4.480 -0.198 0.000 0.344 796 M C -1.998 174.378 176.300 0.128 0.000 1.106 796 M CA -0.994 54.325 55.300 0.032 0.000 1.010 796 M CB 1.407 34.049 32.600 0.070 0.000 1.649 796 M HN 0.768 nan 8.290 nan 0.000 0.443 797 L N 7.186 128.512 121.223 0.172 0.000 2.257 797 L HA 0.612 4.833 4.340 -0.198 0.000 0.290 797 L C -1.555 175.268 176.870 -0.078 0.000 1.044 797 L CA 0.253 55.094 54.840 0.002 0.000 0.810 797 L CB 0.343 42.422 42.059 0.034 0.000 1.193 797 L HN 0.749 nan 8.230 nan 0.000 0.425 798 I N 8.488 128.979 120.570 -0.131 0.000 2.437 798 I HA 0.433 4.484 4.170 -0.198 0.000 0.279 798 I C -2.233 173.751 176.117 -0.221 0.000 1.028 798 I CA -1.460 59.784 61.300 -0.092 0.000 1.142 798 I CB 1.435 39.525 38.000 0.150 0.000 1.266 798 I HN 0.530 nan 8.210 nan 0.000 0.461 799 P HA 0.392 nan 4.420 nan 0.000 0.285 799 P C -0.725 176.462 177.300 -0.189 0.000 1.285 799 P CA -0.600 62.278 63.100 -0.369 0.000 0.854 799 P CB 0.800 32.147 31.700 -0.588 0.000 1.180 800 N N -2.641 116.012 118.700 -0.079 0.000 2.721 800 N HA -0.112 4.509 4.740 -0.198 0.000 0.249 800 N C -0.199 175.357 175.510 0.077 0.000 1.072 800 N CA 1.197 54.271 53.050 0.041 0.000 0.710 800 N CB -2.185 36.379 38.487 0.128 0.000 0.993 800 N HN 0.432 nan 8.380 nan 0.000 0.547 801 V N -3.492 116.481 119.914 0.099 0.000 2.962 801 V HA 0.784 4.785 4.120 -0.198 0.000 0.313 801 V C 0.207 176.410 176.094 0.182 0.000 1.099 801 V CA -1.285 61.086 62.300 0.118 0.000 0.971 801 V CB 2.425 34.316 31.823 0.113 0.000 1.028 801 V HN 0.165 nan 8.190 nan 0.000 0.430 802 D N 2.036 122.506 120.400 0.116 0.000 2.377 802 D HA 0.256 4.777 4.640 -0.198 0.000 0.245 802 D C 1.170 177.431 176.300 -0.065 0.000 1.196 802 D CA -0.244 53.828 54.000 0.120 0.000 0.962 802 D CB 0.851 41.684 40.800 0.054 0.000 1.127 802 D HN 0.700 nan 8.370 nan 0.000 0.471 803 R N 0.270 120.626 120.500 -0.239 0.000 2.112 803 R HA -0.263 3.958 4.340 -0.198 0.000 0.242 803 R C 2.039 178.079 176.300 -0.433 0.000 1.137 803 R CA 2.035 57.677 56.100 -0.763 0.000 0.944 803 R CB -0.777 29.181 30.300 -0.569 0.000 0.857 803 R HN 0.612 nan 8.270 nan 0.000 0.435 804 A N -0.306 122.369 122.820 -0.241 0.000 1.940 804 A HA -0.152 4.049 4.320 -0.198 0.000 0.219 804 A C 2.179 179.669 177.584 -0.156 0.000 1.176 804 A CA 2.113 54.045 52.037 -0.175 0.000 0.631 804 A CB -0.826 18.106 19.000 -0.113 0.000 0.814 804 A HN 0.535 nan 8.150 nan 0.000 0.446 805 T N -0.905 113.578 114.554 -0.118 0.000 2.857 805 T HA -0.074 4.157 4.350 -0.198 0.000 0.266 805 T C 1.606 176.242 174.700 -0.105 0.000 1.048 805 T CA 1.333 63.381 62.100 -0.088 0.000 1.139 805 T CB -0.374 68.474 68.868 -0.034 0.000 0.874 805 T HN 0.486 nan 8.240 nan 0.000 0.455 806 F N 3.299 123.080 119.950 -0.282 0.000 2.075 806 F HA -0.132 4.276 4.527 -0.198 0.000 0.297 806 F C 2.028 177.645 175.800 -0.305 0.000 1.113 806 F CA 1.190 59.008 58.000 -0.303 0.000 1.218 806 F CB -0.623 38.069 39.000 -0.513 0.000 0.984 806 F HN 0.013 nan 8.300 nan 0.000 0.472 807 N N 0.474 118.914 118.700 -0.433 0.000 2.205 807 N HA -0.237 4.384 4.740 -0.198 0.000 0.186 807 N C 1.861 177.122 175.510 -0.414 0.000 1.015 807 N CA 1.492 54.260 53.050 -0.469 0.000 0.862 807 N CB -0.501 37.820 38.487 -0.276 0.000 0.986 807 N HN 0.567 nan 8.380 nan 0.000 0.429 808 Q N 0.029 119.639 119.800 -0.317 0.000 2.096 808 Q HA 0.116 4.337 4.340 -0.198 0.000 0.197 808 Q C 2.125 177.949 176.000 -0.293 0.000 0.964 808 Q CA 0.649 56.301 55.803 -0.251 0.000 0.838 808 Q CB 0.066 28.701 28.738 -0.172 0.000 0.906 808 Q HN 0.229 nan 8.270 nan 0.000 0.444 809 M N 0.512 119.921 119.600 -0.319 0.000 2.159 809 M HA -0.145 4.216 4.480 -0.198 0.000 0.263 809 M C 1.916 177.946 176.300 -0.450 0.000 1.063 809 M CA 1.327 56.444 55.300 -0.306 0.000 1.110 809 M CB -0.084 32.379 32.600 -0.228 0.000 1.374 809 M HN 0.472 nan 8.290 nan 0.000 0.411 810 I N -3.047 117.095 120.570 -0.714 0.000 2.928 810 I HA -0.144 3.907 4.170 -0.198 0.000 0.266 810 I C 1.793 177.408 176.117 -0.837 0.000 1.234 810 I CA 0.902 61.556 61.300 -1.077 0.000 1.483 810 I CB -0.448 36.682 38.000 -1.451 0.000 1.097 810 I HN 0.090 nan 8.210 nan 0.000 0.455 811 K N 1.839 121.942 120.400 -0.495 0.000 2.076 811 K HA -0.060 4.141 4.320 -0.198 0.000 0.204 811 K C 1.946 178.418 176.600 -0.213 0.000 1.051 811 K CA 1.442 57.550 56.287 -0.298 0.000 0.949 811 K CB -0.117 32.255 32.500 -0.214 0.000 0.726 811 K HN 0.587 nan 8.250 nan 0.000 0.443 812 E N 0.690 120.761 120.200 -0.215 0.000 2.106 812 E HA -0.138 4.093 4.350 -0.198 0.000 0.192 812 E C 1.480 178.015 176.600 -0.109 0.000 0.984 812 E CA 0.632 56.948 56.400 -0.140 0.000 0.806 812 E CB -0.071 29.546 29.700 -0.138 0.000 0.750 812 E HN 0.040 nan 8.360 nan 0.000 0.458 813 L N 1.517 122.641 121.223 -0.165 0.000 2.610 813 L HA -0.018 4.203 4.340 -0.198 0.000 0.232 813 L C 1.829 178.808 176.870 0.181 0.000 1.149 813 L CA 0.865 55.696 54.840 -0.016 0.000 0.872 813 L CB -0.604 41.417 42.059 -0.063 0.000 0.992 813 L HN -0.018 nan 8.230 nan 0.000 0.447 814 E N 0.188 120.428 120.200 0.066 0.000 2.331 814 E HA -0.129 4.102 4.350 -0.198 0.000 0.199 814 E C 1.268 178.013 176.600 0.241 0.000 1.008 814 E CA 1.006 57.535 56.400 0.216 0.000 0.843 814 E CB 0.075 29.829 29.700 0.092 0.000 0.761 814 E HN 0.461 nan 8.360 nan 0.000 0.507 815 S N -2.174 113.634 115.700 0.179 0.000 3.021 815 S HA 0.131 4.482 4.470 -0.198 0.000 0.252 815 S C 1.152 175.824 174.600 0.119 0.000 0.996 815 S CA 0.096 58.378 58.200 0.137 0.000 1.084 815 S CB 0.053 63.315 63.200 0.102 0.000 1.021 815 S HN 0.146 nan 8.310 nan 0.000 0.566 816 S N 1.178 116.961 115.700 0.139 0.000 2.428 816 S HA 0.156 4.507 4.470 -0.198 0.000 0.230 816 S C 0.826 175.338 174.600 -0.146 0.000 1.014 816 S CA -0.164 58.068 58.200 0.054 0.000 0.957 816 S CB -0.408 62.873 63.200 0.135 0.000 0.784 816 S HN 0.557 nan 8.310 nan 0.000 0.499 817 L N 3.308 124.327 121.223 -0.340 0.000 2.456 817 L HA 0.189 4.410 4.340 -0.198 0.000 0.277 817 L C 0.675 177.400 176.870 -0.241 0.000 1.124 817 L CA 0.126 54.627 54.840 -0.564 0.000 0.880 817 L CB 0.056 41.695 42.059 -0.700 0.000 1.192 817 L HN 0.229 nan 8.230 nan 0.000 0.463 818 I N 3.025 123.480 120.570 -0.191 0.000 2.480 818 I HA 0.077 4.128 4.170 -0.198 0.000 0.251 818 I C 0.746 176.805 176.117 -0.097 0.000 1.124 818 I CA 0.752 62.005 61.300 -0.080 0.000 1.444 818 I CB -0.249 37.753 38.000 0.003 0.000 1.098 818 I HN 0.615 nan 8.210 nan 0.000 0.428 819 E N 0.335 120.456 120.200 -0.132 0.000 2.392 819 E HA 0.302 4.533 4.350 -0.198 0.000 0.281 819 E C -1.074 175.469 176.600 -0.094 0.000 1.088 819 E CA -0.505 55.841 56.400 -0.090 0.000 0.850 819 E CB 1.106 30.777 29.700 -0.047 0.000 1.267 819 E HN 0.135 nan 8.360 nan 0.000 0.438 820 N N 2.930 121.594 118.700 -0.059 0.000 2.946 820 N HA 0.160 4.781 4.740 -0.198 0.000 0.213 820 N C -1.403 174.086 175.510 -0.035 0.000 1.440 820 N CA -0.205 52.818 53.050 -0.045 0.000 0.745 820 N CB -0.061 38.378 38.487 -0.079 0.000 1.471 820 N HN 0.514 nan 8.380 nan 0.000 0.569 821 N N 0.249 118.943 118.700 -0.010 0.000 3.294 821 N HA 0.204 4.825 4.740 -0.198 0.000 0.355 821 N C 0.989 176.482 175.510 -0.028 0.000 1.497 821 N CA -0.540 52.493 53.050 -0.028 0.000 0.707 821 N CB 0.074 38.550 38.487 -0.018 0.000 1.732 821 N HN 0.125 nan 8.380 nan 0.000 0.640 822 E N -0.987 119.177 120.200 -0.059 0.000 2.338 822 E HA -0.113 4.118 4.350 -0.198 0.000 0.197 822 E C 0.386 177.026 176.600 0.067 0.000 1.007 822 E CA 1.880 58.219 56.400 -0.101 0.000 0.849 822 E CB -0.685 28.932 29.700 -0.139 0.000 0.774 822 E HN 0.794 nan 8.360 nan 0.000 0.506 823 T N -1.999 112.625 114.554 0.117 0.000 2.964 823 T HA 0.324 4.555 4.350 -0.198 0.000 0.249 823 T C 0.437 175.296 174.700 0.265 0.000 1.000 823 T CA -0.340 61.887 62.100 0.210 0.000 0.992 823 T CB 0.251 69.197 68.868 0.129 0.000 1.087 823 T HN 0.073 nan 8.240 nan 0.000 0.489 824 L N 1.526 122.863 121.223 0.190 0.000 2.410 824 L HA 0.609 4.830 4.340 -0.198 0.000 0.270 824 L C -1.777 175.195 176.870 0.168 0.000 0.983 824 L CA -0.558 54.392 54.840 0.183 0.000 0.822 824 L CB 2.317 44.430 42.059 0.090 0.000 1.285 824 L HN 0.116 nan 8.230 nan 0.000 0.409 825 Q N 3.151 123.097 119.800 0.243 0.000 2.292 825 Q HA 0.708 4.929 4.340 -0.198 0.000 0.270 825 Q C -1.476 174.678 176.000 0.257 0.000 1.024 825 Q CA -0.560 55.386 55.803 0.239 0.000 0.768 825 Q CB 2.297 31.267 28.738 0.388 0.000 1.250 825 Q HN 0.638 nan 8.270 nan 0.000 0.447 826 S N 1.772 117.438 115.700 -0.057 0.000 2.533 826 S HA 0.674 5.025 4.470 -0.198 0.000 0.271 826 S C -1.569 172.764 174.600 -0.445 0.000 1.143 826 S CA -0.467 57.642 58.200 -0.153 0.000 0.891 826 S CB 1.566 64.812 63.200 0.076 0.000 1.105 826 S HN 0.305 nan 8.310 nan 0.000 0.468 827 V N 4.601 124.187 119.914 -0.548 0.000 2.735 827 V HA 0.595 4.596 4.120 -0.198 0.000 0.310 827 V C -1.365 174.722 176.094 -0.013 0.000 1.061 827 V CA -0.715 61.336 62.300 -0.416 0.000 0.913 827 V CB 1.839 33.283 31.823 -0.631 0.000 1.005 827 V HN 0.870 nan 8.190 nan 0.000 0.428 828 Y N 2.704 122.911 120.300 -0.156 0.000 2.376 828 Y HA 0.600 5.031 4.550 -0.198 0.000 0.340 828 Y C -0.546 175.226 175.900 -0.214 0.000 0.965 828 Y CA -1.329 56.625 58.100 -0.244 0.000 1.078 828 Y CB 1.780 40.063 38.460 -0.294 0.000 1.193 828 Y HN 0.684 nan 8.280 nan 0.000 0.452 829 D N 4.964 124.903 120.400 -0.769 0.000 2.467 829 D HA 0.353 4.874 4.640 -0.198 0.000 0.220 829 D C 0.692 176.341 176.300 -1.085 0.000 1.103 829 D CA 0.325 53.927 54.000 -0.664 0.000 0.886 829 D CB 1.260 41.870 40.800 -0.318 0.000 1.025 829 D HN 0.812 nan 8.370 nan 0.000 0.514 830 A N 4.677 126.844 122.820 -1.088 0.000 1.940 830 A HA -0.189 4.012 4.320 -0.198 0.000 0.219 830 A C 2.055 179.409 177.584 -0.383 0.000 1.176 830 A CA 1.181 52.745 52.037 -0.788 0.000 0.631 830 A CB -0.174 18.623 19.000 -0.338 0.000 0.814 830 A HN 0.524 nan 8.150 nan 0.000 0.446 831 K N -0.931 119.295 120.400 -0.291 0.000 2.057 831 K HA -0.159 4.042 4.320 -0.198 0.000 0.207 831 K C 2.232 178.738 176.600 -0.158 0.000 1.049 831 K CA 1.735 57.918 56.287 -0.173 0.000 0.931 831 K CB -0.137 32.282 32.500 -0.136 0.000 0.714 831 K HN 0.613 nan 8.250 nan 0.000 0.440 832 Q N -1.100 118.579 119.800 -0.202 0.000 2.302 832 Q HA 0.020 4.241 4.340 -0.198 0.000 0.202 832 Q C 0.575 176.494 176.000 -0.136 0.000 0.936 832 Q CA 0.565 56.284 55.803 -0.141 0.000 0.886 832 Q CB 0.729 29.396 28.738 -0.118 0.000 0.986 832 Q HN 0.523 nan 8.270 nan 0.000 0.487 833 G N 0.963 109.612 108.800 -0.253 0.000 2.225 833 G HA2 -0.213 3.628 3.960 -0.198 0.000 0.264 833 G HA3 -0.213 3.628 3.960 -0.198 0.000 0.264 833 G C -0.299 174.540 174.900 -0.102 0.000 1.060 833 G CA 0.144 45.147 45.100 -0.162 0.000 0.833 833 G HN 0.188 nan 8.290 nan 0.000 0.498 834 V N 0.643 120.437 119.914 -0.200 0.000 2.628 834 V HA 0.757 4.758 4.120 -0.198 0.000 0.306 834 V C 0.003 176.154 176.094 0.095 0.000 1.045 834 V CA -0.991 61.339 62.300 0.051 0.000 0.905 834 V CB 1.779 33.632 31.823 0.050 0.000 0.997 834 V HN 0.317 nan 8.190 nan 0.000 0.436 835 W N 2.078 123.595 121.300 0.362 0.000 2.632 835 W HA 0.669 5.210 4.660 -0.198 0.000 0.328 835 W C 0.233 176.959 176.519 0.345 0.000 1.044 835 W CA -0.784 56.806 57.345 0.408 0.000 1.225 835 W CB 2.464 32.216 29.460 0.488 0.000 1.396 835 W HN 0.731 nan 8.180 nan 0.000 0.499 836 G N 3.579 112.724 108.800 0.575 0.000 2.368 836 G HA2 0.754 4.595 3.960 -0.198 0.000 0.320 836 G HA3 0.754 4.595 3.960 -0.198 0.000 0.320 836 G C -1.271 174.058 174.900 0.714 0.000 1.158 836 G CA -0.500 45.005 45.100 0.675 0.000 0.912 836 G HN 0.375 nan 8.290 nan 0.000 0.456 837 I N 1.588 122.537 120.570 0.631 0.000 2.619 837 I HA 0.365 4.416 4.170 -0.198 0.000 0.292 837 I C -0.855 175.570 176.117 0.514 0.000 1.100 837 I CA -1.083 60.539 61.300 0.537 0.000 1.043 837 I CB 2.799 40.984 38.000 0.307 0.000 1.239 837 I HN 0.125 nan 8.210 nan 0.000 0.420 838 V N 5.544 125.732 119.914 0.458 0.000 2.483 838 V HA 0.397 4.398 4.120 -0.198 0.000 0.297 838 V C -0.392 175.926 176.094 0.373 0.000 1.027 838 V CA -0.723 61.795 62.300 0.365 0.000 0.855 838 V CB 1.963 33.948 31.823 0.271 0.000 0.995 838 V HN 0.612 nan 8.190 nan 0.000 0.424 839 K N 3.270 123.899 120.400 0.382 0.000 2.274 839 K HA 0.471 4.672 4.320 -0.198 0.000 0.262 839 K C -0.544 176.188 176.600 0.218 0.000 0.961 839 K CA -0.544 55.937 56.287 0.323 0.000 0.833 839 K CB 1.801 34.498 32.500 0.328 0.000 1.102 839 K HN 0.610 nan 8.250 nan 0.000 0.436 840 Y N 0.783 121.166 120.300 0.138 0.000 2.462 840 Y HA -0.005 4.426 4.550 -0.198 0.000 0.261 840 Y C 0.213 176.039 175.900 -0.123 0.000 1.146 840 Y CA 0.049 58.110 58.100 -0.066 0.000 1.283 840 Y CB 0.529 38.956 38.460 -0.055 0.000 1.090 840 Y HN 0.661 nan 8.280 nan 0.000 0.526 841 D N -3.260 117.191 120.400 0.084 0.000 2.610 841 D HA 0.148 4.669 4.640 -0.198 0.000 0.271 841 D C -0.677 175.651 176.300 0.048 0.000 1.174 841 D CA -0.710 53.312 54.000 0.035 0.000 0.949 841 D CB 0.553 41.383 40.800 0.049 0.000 1.430 841 D HN -0.283 nan 8.370 nan 0.000 0.467 842 D N -0.359 120.057 120.400 0.026 0.000 2.352 842 D HA 0.126 4.647 4.640 -0.198 0.000 0.236 842 D C 0.228 176.539 176.300 0.018 0.000 1.148 842 D CA 0.053 54.072 54.000 0.031 0.000 0.844 842 D CB -0.271 40.538 40.800 0.015 0.000 0.933 842 D HN 0.421 nan 8.370 nan 0.000 0.507 843 S N -1.093 114.617 115.700 0.018 0.000 2.608 843 S HA 0.243 4.594 4.470 -0.198 0.000 0.261 843 S C 0.438 175.029 174.600 -0.015 0.000 1.314 843 S CA -0.816 57.383 58.200 -0.001 0.000 0.992 843 S CB 1.480 64.680 63.200 -0.000 0.000 0.935 843 S HN -0.104 nan 8.310 nan 0.000 0.564 844 V N 2.332 122.223 119.914 -0.038 0.000 2.408 844 V HA 0.289 4.290 4.120 -0.198 0.000 0.267 844 V C 0.056 176.097 176.094 -0.089 0.000 1.047 844 V CA -0.186 62.073 62.300 -0.068 0.000 0.937 844 V CB 0.529 32.306 31.823 -0.077 0.000 0.999 844 V HN 0.920 nan 8.190 nan 0.000 0.472 845 S N 3.663 119.294 115.700 -0.115 0.000 2.438 845 S HA 0.376 4.727 4.470 -0.198 0.000 0.316 845 S C 0.225 174.680 174.600 -0.241 0.000 1.084 845 S CA -0.453 57.658 58.200 -0.148 0.000 1.107 845 S CB 1.143 64.269 63.200 -0.124 0.000 0.981 845 S HN 0.778 nan 8.310 nan 0.000 0.466 846 T N 4.900 119.302 114.554 -0.253 0.000 2.749 846 T HA 0.371 4.602 4.350 -0.198 0.000 0.295 846 T C -0.016 174.409 174.700 -0.459 0.000 0.936 846 T CA -0.375 61.515 62.100 -0.351 0.000 1.060 846 T CB 0.083 68.795 68.868 -0.261 0.000 0.904 846 T HN 0.334 nan 8.240 nan 0.000 0.500 847 I N 2.609 122.698 120.570 -0.801 0.000 2.354 847 I HA 0.264 4.315 4.170 -0.198 0.000 0.292 847 I C 1.054 176.655 176.117 -0.861 0.000 0.989 847 I CA -0.626 60.108 61.300 -0.942 0.000 1.188 847 I CB 0.923 37.994 38.000 -1.547 0.000 1.342 847 I HN 0.747 nan 8.210 nan 0.000 0.457 848 S N 4.436 119.879 115.700 -0.430 0.000 3.364 848 S HA -0.301 4.050 4.470 -0.198 0.000 0.361 848 S C 0.844 175.319 174.600 -0.210 0.000 1.107 848 S CA 1.310 59.377 58.200 -0.222 0.000 1.029 848 S CB -1.507 61.664 63.200 -0.047 0.000 0.912 848 S HN 0.903 nan 8.310 nan 0.000 0.513 849 N N -0.931 117.607 118.700 -0.270 0.000 2.714 849 N HA -0.271 4.350 4.740 -0.198 0.000 0.250 849 N C 0.854 176.264 175.510 -0.167 0.000 1.117 849 N CA 1.337 54.270 53.050 -0.195 0.000 0.719 849 N CB -0.414 38.011 38.487 -0.103 0.000 1.081 849 N HN 0.716 nan 8.380 nan 0.000 0.557 850 Q N -1.198 118.444 119.800 -0.263 0.000 2.511 850 Q HA 0.192 4.413 4.340 -0.198 0.000 0.236 850 Q C 0.478 176.389 176.000 -0.148 0.000 0.893 850 Q CA 0.800 56.556 55.803 -0.079 0.000 0.947 850 Q CB 0.538 29.364 28.738 0.147 0.000 1.110 850 Q HN 0.478 nan 8.270 nan 0.000 0.591 851 F N -0.506 119.155 119.950 -0.481 0.000 2.726 851 F HA 0.688 5.096 4.527 -0.198 0.000 0.324 851 F C -1.215 174.225 175.800 -0.601 0.000 1.140 851 F CA -1.380 56.206 58.000 -0.690 0.000 0.964 851 F CB 1.473 39.840 39.000 -1.055 0.000 1.399 851 F HN -0.329 nan 8.300 nan 0.000 0.491 852 Q N 1.419 120.949 119.800 -0.449 0.000 2.323 852 Q HA 0.649 4.870 4.340 -0.198 0.000 0.271 852 Q C -1.499 174.329 176.000 -0.287 0.000 1.048 852 Q CA -1.206 54.377 55.803 -0.367 0.000 0.792 852 Q CB 3.065 31.619 28.738 -0.307 0.000 1.280 852 Q HN 0.715 nan 8.270 nan 0.000 0.441 853 V N 1.360 121.148 119.914 -0.210 0.000 2.435 853 V HA 0.453 4.454 4.120 -0.198 0.000 0.290 853 V C 0.217 176.243 176.094 -0.114 0.000 1.030 853 V CA -0.545 61.635 62.300 -0.201 0.000 0.881 853 V CB 1.032 32.538 31.823 -0.529 0.000 0.983 853 V HN 0.833 nan 8.190 nan 0.000 0.445 854 L N 1.285 122.506 121.223 -0.003 0.000 2.672 854 L HA 0.466 4.687 4.340 -0.198 0.000 0.236 854 L C 0.923 177.836 176.870 0.071 0.000 1.092 854 L CA 0.207 55.054 54.840 0.012 0.000 0.887 854 L CB -0.028 42.019 42.059 -0.021 0.000 1.168 854 L HN 0.585 nan 8.230 nan 0.000 0.502 855 K N 1.240 121.749 120.400 0.181 0.000 2.259 855 K HA 0.419 4.620 4.320 -0.198 0.000 0.249 855 K C -0.418 176.373 176.600 0.319 0.000 0.942 855 K CA -0.909 55.478 56.287 0.166 0.000 0.816 855 K CB 2.637 35.138 32.500 0.001 0.000 1.155 855 K HN -0.086 nan 8.250 nan 0.000 0.428 856 R N 0.769 121.391 120.500 0.204 0.000 2.522 856 R HA 0.244 4.465 4.340 -0.198 0.000 0.284 856 R C 0.019 176.522 176.300 0.337 0.000 1.032 856 R CA 0.938 57.148 56.100 0.185 0.000 1.049 856 R CB 0.072 30.359 30.300 -0.022 0.000 0.956 856 R HN 0.815 nan 8.270 nan 0.000 0.422 857 G N 1.376 110.437 108.800 0.434 0.000 2.350 857 G HA2 0.162 4.003 3.960 -0.198 0.000 0.282 857 G HA3 0.162 4.003 3.960 -0.198 0.000 0.282 857 G C -1.747 173.245 174.900 0.152 0.000 1.314 857 G CA -0.435 44.825 45.100 0.266 0.000 0.915 857 G HN 0.550 nan 8.290 nan 0.000 0.499 858 V N 0.582 120.394 119.914 -0.170 0.000 2.495 858 V HA 0.752 4.753 4.120 -0.198 0.000 0.298 858 V C -1.098 174.978 176.094 -0.030 0.000 1.031 858 V CA -0.635 61.658 62.300 -0.012 0.000 0.871 858 V CB 1.146 32.911 31.823 -0.096 0.000 0.988 858 V HN 0.657 nan 8.190 nan 0.000 0.432 859 Y N 1.218 121.628 120.300 0.184 0.000 2.499 859 Y HA 0.737 5.168 4.550 -0.198 0.000 0.347 859 Y C 0.303 176.337 175.900 0.224 0.000 0.987 859 Y CA -1.067 57.174 58.100 0.234 0.000 1.044 859 Y CB 2.527 41.168 38.460 0.301 0.000 1.245 859 Y HN 0.512 nan 8.280 nan 0.000 0.461 860 T N 3.907 118.674 114.554 0.355 0.000 3.066 860 T HA 0.597 4.828 4.350 -0.198 0.000 0.318 860 T C -0.787 174.066 174.700 0.255 0.000 0.979 860 T CA -0.368 61.907 62.100 0.293 0.000 1.025 860 T CB 0.273 69.255 68.868 0.189 0.000 1.002 860 T HN 0.380 nan 8.240 nan 0.000 0.453 861 I N 2.366 123.122 120.570 0.310 0.000 2.530 861 I HA 0.602 4.653 4.170 -0.198 0.000 0.297 861 I C 0.056 176.397 176.117 0.374 0.000 1.011 861 I CA -0.923 60.516 61.300 0.232 0.000 1.107 861 I CB 2.089 40.114 38.000 0.042 0.000 1.285 861 I HN 0.269 nan 8.210 nan 0.000 0.436 862 R N 5.475 126.140 120.500 0.274 0.000 2.513 862 R HA 0.409 4.630 4.340 -0.198 0.000 0.301 862 R C -1.106 175.343 176.300 0.248 0.000 0.968 862 R CA -0.816 55.450 56.100 0.276 0.000 0.872 862 R CB 1.683 32.065 30.300 0.136 0.000 1.177 862 R HN 0.571 nan 8.270 nan 0.000 0.444 863 K N 3.452 124.032 120.400 0.300 0.000 2.248 863 K HA 0.149 4.350 4.320 -0.198 0.000 0.281 863 K C -0.978 175.595 176.600 -0.044 0.000 1.054 863 K CA -0.135 56.150 56.287 -0.002 0.000 0.903 863 K CB 1.018 33.601 32.500 0.138 0.000 1.077 863 K HN 0.585 nan 8.250 nan 0.000 0.474 864 E N 3.498 123.623 120.200 -0.125 0.000 2.346 864 E HA 0.226 4.457 4.350 -0.198 0.000 0.239 864 E C 0.072 176.621 176.600 -0.085 0.000 0.943 864 E CA -0.277 56.083 56.400 -0.066 0.000 0.751 864 E CB 1.262 30.939 29.700 -0.038 0.000 1.241 864 E HN 1.024 nan 8.360 nan 0.000 0.423 865 G N 3.410 112.170 108.800 -0.066 0.000 2.523 865 G HA2 -0.326 3.515 3.960 -0.198 0.000 0.271 865 G HA3 -0.326 3.515 3.960 -0.198 0.000 0.271 865 G C 0.290 175.138 174.900 -0.086 0.000 1.146 865 G CA 0.197 45.268 45.100 -0.049 0.000 0.961 865 G HN 0.551 nan 8.290 nan 0.000 0.549 866 D N 2.127 122.492 120.400 -0.059 0.000 2.349 866 D HA 0.270 4.791 4.640 -0.198 0.000 0.214 866 D C 0.665 176.922 176.300 -0.071 0.000 1.063 866 D CA 0.524 54.499 54.000 -0.041 0.000 0.847 866 D CB 0.355 41.170 40.800 0.025 0.000 0.933 866 D HN 0.377 nan 8.370 nan 0.000 0.513 867 E N 0.198 120.319 120.200 -0.132 0.000 2.222 867 E HA 0.330 4.561 4.350 -0.198 0.000 0.272 867 E C -0.685 175.762 176.600 -0.255 0.000 0.982 867 E CA -0.639 55.707 56.400 -0.090 0.000 0.842 867 E CB 1.220 30.899 29.700 -0.036 0.000 1.144 867 E HN 0.058 nan 8.360 nan 0.000 0.397 868 Y N 0.424 120.704 120.300 -0.033 0.000 2.361 868 Y HA 0.291 4.722 4.550 -0.198 0.000 0.337 868 Y C 0.499 176.275 175.900 -0.207 0.000 0.965 868 Y CA -0.626 57.392 58.100 -0.137 0.000 1.091 868 Y CB 1.758 40.038 38.460 -0.301 0.000 1.182 868 Y HN 0.030 nan 8.280 nan 0.000 0.450 869 K N 4.551 124.950 120.400 -0.002 0.000 2.211 869 K HA 0.577 4.778 4.320 -0.198 0.000 0.275 869 K C -1.212 175.343 176.600 -0.075 0.000 1.024 869 K CA -0.419 55.848 56.287 -0.032 0.000 0.887 869 K CB 0.960 33.467 32.500 0.011 0.000 1.084 869 K HN 0.655 nan 8.250 nan 0.000 0.463 870 I N 2.048 122.551 120.570 -0.111 0.000 2.465 870 I HA 0.321 4.372 4.170 -0.198 0.000 0.291 870 I C -0.443 175.684 176.117 0.017 0.000 1.014 870 I CA -0.664 60.575 61.300 -0.101 0.000 1.093 870 I CB 2.091 39.950 38.000 -0.236 0.000 1.267 870 I HN 0.520 nan 8.210 nan 0.000 0.431 871 A N 6.065 128.936 122.820 0.085 0.000 2.483 871 A HA 0.525 4.726 4.320 -0.198 0.000 0.308 871 A C -1.402 176.258 177.584 0.128 0.000 1.291 871 A CA -0.359 51.733 52.037 0.091 0.000 0.774 871 A CB 0.246 19.287 19.000 0.069 0.000 1.134 871 A HN 0.627 nan 8.150 nan 0.000 0.471 872 Y N 2.266 122.554 120.300 -0.019 0.000 2.377 872 Y HA 0.660 5.091 4.550 -0.198 0.000 0.339 872 Y C -1.582 174.301 175.900 -0.028 0.000 1.011 872 Y CA -1.279 56.731 58.100 -0.150 0.000 1.093 872 Y CB 1.319 39.638 38.460 -0.235 0.000 1.201 872 Y HN 0.590 nan 8.280 nan 0.000 0.455 873 Y N 6.295 125.851 120.300 -1.241 0.000 2.386 873 Y HA 0.326 4.757 4.550 -0.198 0.000 0.334 873 Y C -1.286 173.995 175.900 -1.033 0.000 1.002 873 Y CA -1.395 56.150 58.100 -0.926 0.000 1.068 873 Y CB 1.385 39.578 38.460 -0.445 0.000 1.203 873 Y HN 0.791 nan 8.280 nan 0.000 0.443 874 N N 8.166 126.117 118.700 -1.248 0.000 2.485 874 N HA 0.261 4.882 4.740 -0.198 0.000 0.243 874 N C -2.079 172.847 175.510 -0.973 0.000 0.987 874 N CA -2.091 50.513 53.050 -0.743 0.000 0.940 874 N CB 1.425 39.746 38.487 -0.277 0.000 1.122 874 N HN 0.369 nan 8.380 nan 0.000 0.509 875 P HA -0.101 nan 4.420 nan 0.000 0.223 875 P C 0.464 177.642 177.300 -0.204 0.000 1.151 875 P CA 1.120 63.917 63.100 -0.505 0.000 0.787 875 P CB 0.465 31.945 31.700 -0.366 0.000 0.788 876 E N -0.188 119.967 120.200 -0.075 0.000 2.033 876 E HA -0.088 4.143 4.350 -0.198 0.000 0.189 876 E C 1.963 178.540 176.600 -0.039 0.000 0.979 876 E CA 1.947 58.350 56.400 0.005 0.000 0.802 876 E CB -0.405 29.332 29.700 0.062 0.000 0.763 876 E HN 0.314 nan 8.360 nan 0.000 0.449 877 T N -1.974 112.533 114.554 -0.078 0.000 3.100 877 T HA -0.008 4.223 4.350 -0.198 0.000 0.253 877 T C 0.458 175.116 174.700 -0.070 0.000 1.118 877 T CA 0.028 62.096 62.100 -0.053 0.000 1.058 877 T CB 0.075 68.922 68.868 -0.036 0.000 0.953 877 T HN 0.099 nan 8.240 nan 0.000 0.515 878 Q N 0.878 120.573 119.800 -0.175 0.000 2.463 878 Q HA -0.147 4.074 4.340 -0.198 0.000 0.299 878 Q C -0.801 175.189 176.000 -0.017 0.000 1.353 878 Q CA 0.761 56.502 55.803 -0.104 0.000 0.828 878 Q CB -1.620 27.164 28.738 0.077 0.000 1.157 878 Q HN 0.777 nan 8.270 nan 0.000 0.436 879 E N -0.776 119.322 120.200 -0.170 0.000 2.429 879 E HA 0.588 4.819 4.350 -0.198 0.000 0.276 879 E C -0.553 176.033 176.600 -0.024 0.000 0.953 879 E CA -0.460 55.937 56.400 -0.005 0.000 0.787 879 E CB 2.082 31.793 29.700 0.020 0.000 1.307 879 E HN 0.085 nan 8.360 nan 0.000 0.458 880 S N -0.191 115.577 115.700 0.113 0.000 2.448 880 S HA 0.876 5.227 4.470 -0.198 0.000 0.271 880 S C -0.983 173.783 174.600 0.277 0.000 1.145 880 S CA 0.289 58.602 58.200 0.187 0.000 1.022 880 S CB 0.968 64.277 63.200 0.181 0.000 1.202 880 S HN 0.621 nan 8.310 nan 0.000 0.479 881 A N 0.614 123.611 122.820 0.295 0.000 2.590 881 A HA 0.649 4.850 4.320 -0.198 0.000 0.294 881 A C -3.169 174.456 177.584 0.068 0.000 1.046 881 A CA -1.139 50.983 52.037 0.142 0.000 0.684 881 A CB 0.031 19.065 19.000 0.057 0.000 1.279 881 A HN 0.550 nan 8.150 nan 0.000 0.415 882 P HA 0.148 nan 4.420 nan 0.000 0.265 882 P C 0.034 177.340 177.300 0.010 0.000 1.193 882 P CA 0.117 63.232 63.100 0.025 0.000 0.765 882 P CB 0.541 32.253 31.700 0.020 0.000 0.823 883 D N 2.264 122.680 120.400 0.027 0.000 2.133 883 D HA -0.227 4.294 4.640 -0.198 0.000 0.192 883 D C 1.760 178.111 176.300 0.083 0.000 1.001 883 D CA 1.443 55.469 54.000 0.044 0.000 0.844 883 D CB -0.298 40.520 40.800 0.030 0.000 0.944 883 D HN 0.554 nan 8.370 nan 0.000 0.447 884 Q N 1.176 121.013 119.800 0.062 0.000 2.437 884 Q HA -0.128 4.093 4.340 -0.198 0.000 0.210 884 Q C 1.294 177.306 176.000 0.020 0.000 0.972 884 Q CA 1.060 56.897 55.803 0.057 0.000 0.903 884 Q CB -0.288 28.474 28.738 0.039 0.000 0.967 884 Q HN 0.407 nan 8.270 nan 0.000 0.486 885 E N 0.373 120.568 120.200 -0.008 0.000 2.250 885 E HA -0.036 4.195 4.350 -0.198 0.000 0.192 885 E C 1.788 178.341 176.600 -0.077 0.000 0.986 885 E CA 1.109 57.481 56.400 -0.046 0.000 0.849 885 E CB 0.587 30.247 29.700 -0.066 0.000 0.797 885 E HN 0.383 nan 8.360 nan 0.000 0.482 886 V N -2.446 117.419 119.914 -0.080 0.000 3.612 886 V HA 0.316 4.317 4.120 -0.198 0.000 0.268 886 V C -0.027 176.180 176.094 0.189 0.000 1.365 886 V CA -0.377 61.896 62.300 -0.045 0.000 1.044 886 V CB 0.194 31.762 31.823 -0.424 0.000 0.820 886 V HN 0.043 nan 8.190 nan 0.000 0.444 887 F N 1.899 121.838 119.950 -0.020 0.000 2.556 887 F HA 0.775 5.183 4.527 -0.198 0.000 0.314 887 F C -0.685 175.076 175.800 -0.065 0.000 1.106 887 F CA -0.948 57.028 58.000 -0.040 0.000 0.911 887 F CB 1.953 40.918 39.000 -0.059 0.000 1.190 887 F HN 0.029 nan 8.300 nan 0.000 0.448 888 K N 6.260 126.193 120.400 -0.779 0.000 2.578 888 K HA 0.284 4.485 4.320 -0.198 0.000 0.250 888 K C -1.321 174.801 176.600 -0.796 0.000 0.955 888 K CA -0.783 55.176 56.287 -0.547 0.000 0.825 888 K CB 1.332 33.659 32.500 -0.288 0.000 1.151 888 K HN 0.624 nan 8.250 nan 0.000 0.432 889 K N 4.467 124.566 120.400 -0.501 0.000 2.368 889 K HA 0.241 4.442 4.320 -0.198 0.000 0.282 889 K C -0.119 176.371 176.600 -0.184 0.000 1.035 889 K CA -0.048 56.056 56.287 -0.304 0.000 0.973 889 K CB 0.259 32.796 32.500 0.062 0.000 0.957 889 K HN 0.582 nan 8.250 nan 0.000 0.474 890 L N 0.000 121.127 121.223 -0.160 0.000 2.949 890 L HA 0.000 4.221 4.340 -0.198 0.000 0.249 890 L CA 0.000 54.773 54.840 -0.112 0.000 0.813 890 L CB 0.000 41.983 42.059 -0.127 0.000 0.961 890 L HN 0.000 nan 8.230 nan 0.000 0.502