REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2brw_1_B DATA FIRST_RESID 170 DATA SEQUENCE VKDTYTDRLD DWNGIIAGNQ YYDSKNDQMA KLNQELEGKV ADSLSSISSQ DATA SEQUENCE ADRIYLWEKF SNYKTSANLT ATYRKLEEMA KQVTNPSSRY YQDETVVRTV DATA SEQUENCE RDSMEWMHKH VYNSEKSIVG NWWDYEIGTP RAINNTLSLM KEYFSDEEIK DATA SEQUENCE KYTDVIEKFV PDPEHFRKTT DNPFKALGGN LVDMGRVKVI AGLLRKDDQE DATA SEQUENCE ISSTIRSIEQ VFKLVDQGEG FYQDGSYIDH TNVAYTGAYG NVLIDGLSQL DATA SEQUENCE LPVIQKTKNP IDKDKMQTMY HWIDKSFAPL LVNGELMDMS RGRSISRANS DATA SEQUENCE EGHVAAVEVL RGIHRIADMS EGETKQRLQS LVKTIVQSDS YYDVFKNLKT DATA SEQUENCE YKDISLMQSL LSDAGVASVP RTSYLSAFNK MDKTAMYNAE KGFGFGLSLF DATA SEQUENCE SSRTLNYEHM NKENKRGWYT SDGMFYLYNG DLSHYSDGYW PTVNPYKMPG DATA SEQUENCE TTETDAKRAD SDTGKVLPSA FVGTSKLDDA NATATMDFTN WNQTLTAHKS DATA SEQUENCE WFMLKDKIAF LGSNIQNTST DTAATTIDQR KLESSNPYKV YVNDKEASLT DATA SEQUENCE EQEKDYPETQ SVFLESSDSK KNIGYFFFKK SSISMSKALQ KGAWKDINEG DATA SEQUENCE QSDKEVENEF LTISQAHKQN GDSYGYMLIP NVDRATFNQM IKELESSLIE DATA SEQUENCE NNETLQSVYD AKQGVWGIVK YDDSVSTISN QFQVLKRGVY TIRKEGDEYK DATA SEQUENCE IAYYNPETQE SAPDQEVFKK LE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 170 V HA 0.000 nan 4.120 nan 0.000 0.244 170 V C 0.000 176.122 176.094 0.046 0.000 1.182 170 V CA 0.000 62.320 62.300 0.033 0.000 1.235 170 V CB 0.000 31.843 31.823 0.033 0.000 1.184 171 K N 2.857 123.282 120.400 0.042 0.000 2.263 171 K HA 0.548 4.869 4.320 0.001 0.000 0.282 171 K C -1.014 175.621 176.600 0.057 0.000 1.089 171 K CA -0.212 56.104 56.287 0.048 0.000 0.907 171 K CB 0.590 33.109 32.500 0.032 0.000 1.148 171 K HN 0.891 nan 8.250 nan 0.000 0.470 172 D N 1.462 121.913 120.400 0.084 0.000 2.837 172 D HA -0.005 4.635 4.640 0.001 0.000 0.294 172 D C 0.838 177.173 176.300 0.059 0.000 1.158 172 D CA -0.602 53.449 54.000 0.086 0.000 1.073 172 D CB 0.426 41.319 40.800 0.154 0.000 1.419 172 D HN 0.268 nan 8.370 nan 0.000 0.584 173 T N -1.802 112.743 114.554 -0.015 0.000 2.803 173 T HA -0.177 4.173 4.350 0.001 0.000 0.269 173 T C 1.342 175.966 174.700 -0.126 0.000 1.052 173 T CA 1.499 63.526 62.100 -0.121 0.000 1.136 173 T CB -0.677 68.041 68.868 -0.250 0.000 0.864 173 T HN 0.381 nan 8.240 nan 0.000 0.467 174 Y N 1.938 122.245 120.300 0.011 0.000 2.114 174 Y HA -0.081 4.469 4.550 0.001 0.000 0.284 174 Y C 3.194 179.109 175.900 0.025 0.000 1.143 174 Y CA 1.829 59.936 58.100 0.011 0.000 1.135 174 Y CB -1.204 37.259 38.460 0.005 0.000 0.980 174 Y HN 0.409 nan 8.280 nan 0.000 0.499 175 T N -2.330 112.341 114.554 0.195 0.000 2.803 175 T HA -0.188 4.162 4.350 0.001 0.000 0.269 175 T C 1.372 176.134 174.700 0.102 0.000 1.052 175 T CA 1.631 63.809 62.100 0.130 0.000 1.136 175 T CB -0.456 68.472 68.868 0.101 0.000 0.864 175 T HN 0.203 nan 8.240 nan 0.000 0.467 176 D N 1.172 121.617 120.400 0.075 0.000 2.117 176 D HA -0.056 4.585 4.640 0.001 0.000 0.197 176 D C 2.471 178.813 176.300 0.070 0.000 0.987 176 D CA 0.883 54.915 54.000 0.053 0.000 0.829 176 D CB -0.204 40.607 40.800 0.018 0.000 0.961 176 D HN 0.318 nan 8.370 nan 0.000 0.460 177 R N 0.204 120.746 120.500 0.070 0.000 2.115 177 R HA 0.065 4.405 4.340 0.001 0.000 0.226 177 R C 2.483 178.876 176.300 0.154 0.000 1.100 177 R CA 0.193 56.346 56.100 0.089 0.000 0.980 177 R CB -0.701 29.630 30.300 0.053 0.000 0.875 177 R HN 0.311 nan 8.270 nan 0.000 0.445 178 L N 0.676 121.995 121.223 0.159 0.000 2.217 178 L HA -0.107 4.234 4.340 0.001 0.000 0.211 178 L C 1.634 178.637 176.870 0.221 0.000 1.107 178 L CA 0.922 55.891 54.840 0.216 0.000 0.783 178 L CB -0.269 41.894 42.059 0.173 0.000 0.919 178 L HN 0.053 nan 8.230 nan 0.000 0.442 179 D N -0.038 120.455 120.400 0.156 0.000 2.183 179 D HA -0.143 4.497 4.640 0.001 0.000 0.203 179 D C 1.544 177.927 176.300 0.137 0.000 0.969 179 D CA 0.951 55.026 54.000 0.126 0.000 0.842 179 D CB 0.082 40.934 40.800 0.087 0.000 0.957 179 D HN 0.334 nan 8.370 nan 0.000 0.484 180 D N 0.031 120.528 120.400 0.161 0.000 2.123 180 D HA -0.129 4.511 4.640 0.001 0.000 0.200 180 D C 1.893 178.324 176.300 0.217 0.000 0.976 180 D CA 0.371 54.472 54.000 0.169 0.000 0.831 180 D CB -0.387 40.509 40.800 0.161 0.000 0.974 180 D HN 0.394 nan 8.370 nan 0.000 0.469 181 W N 2.065 123.399 121.300 0.056 0.000 2.333 181 W HA -0.214 4.446 4.660 0.001 0.000 0.316 181 W C 1.644 178.198 176.519 0.058 0.000 1.215 181 W CA 0.874 58.249 57.345 0.050 0.000 1.278 181 W CB -0.101 29.386 29.460 0.044 0.000 1.154 181 W HN -0.072 nan 8.180 nan 0.000 0.486 182 N N 0.460 119.185 118.700 0.041 0.000 2.137 182 N HA -0.159 4.581 4.740 0.001 0.000 0.190 182 N C 1.839 177.317 175.510 -0.054 0.000 1.017 182 N CA 2.003 55.017 53.050 -0.060 0.000 0.859 182 N CB -1.368 37.154 38.487 0.058 0.000 1.002 182 N HN 0.314 nan 8.380 nan 0.000 0.428 183 G N 0.501 109.325 108.800 0.041 0.000 2.448 183 G HA2 -0.138 3.822 3.960 0.001 0.000 0.219 183 G HA3 -0.138 3.822 3.960 0.001 0.000 0.219 183 G C 1.579 176.518 174.900 0.066 0.000 1.127 183 G CA 0.315 45.499 45.100 0.141 0.000 0.766 183 G HN 0.310 nan 8.290 nan 0.000 0.552 184 I N 0.693 121.203 120.570 -0.100 0.000 2.852 184 I HA 0.102 4.272 4.170 0.001 0.000 0.264 184 I C 2.470 178.379 176.117 -0.347 0.000 1.179 184 I CA 0.394 61.571 61.300 -0.206 0.000 1.480 184 I CB 0.083 37.968 38.000 -0.192 0.000 1.111 184 I HN 0.321 nan 8.210 nan 0.000 0.441 185 I N -2.038 118.243 120.570 -0.482 0.000 2.810 185 I HA 0.224 4.395 4.170 0.001 0.000 0.262 185 I C 2.276 178.217 176.117 -0.294 0.000 1.131 185 I CA 0.931 61.950 61.300 -0.468 0.000 1.453 185 I CB -0.291 37.329 38.000 -0.634 0.000 1.161 185 I HN -0.043 nan 8.210 nan 0.000 0.444 186 A N 1.210 123.907 122.820 -0.205 0.000 2.010 186 A HA 0.494 4.815 4.320 0.001 0.000 0.210 186 A C 1.948 179.538 177.584 0.010 0.000 1.479 186 A CA 0.797 52.762 52.037 -0.120 0.000 0.748 186 A CB -0.948 18.031 19.000 -0.035 0.000 1.125 186 A HN 0.794 nan 8.150 nan 0.000 0.522 187 G N 0.656 109.538 108.800 0.136 0.000 2.295 187 G HA2 -0.260 3.700 3.960 0.001 0.000 0.287 187 G HA3 -0.260 3.700 3.960 0.001 0.000 0.287 187 G C 0.346 175.545 174.900 0.499 0.000 1.055 187 G CA 0.541 45.875 45.100 0.390 0.000 0.922 187 G HN 0.414 nan 8.290 nan 0.000 0.503 188 N N 0.129 119.012 118.700 0.305 0.000 2.519 188 N HA -0.103 4.638 4.740 0.001 0.000 0.186 188 N C 2.482 178.054 175.510 0.102 0.000 1.062 188 N CA 1.457 54.632 53.050 0.208 0.000 0.910 188 N CB -0.084 38.440 38.487 0.061 0.000 0.958 188 N HN 0.942 nan 8.380 nan 0.000 0.445 189 Q N -0.544 119.282 119.800 0.044 0.000 2.172 189 Q HA -0.112 4.229 4.340 0.001 0.000 0.200 189 Q C 0.830 176.723 176.000 -0.179 0.000 0.964 189 Q CA 1.089 56.813 55.803 -0.132 0.000 0.855 189 Q CB -0.484 28.084 28.738 -0.283 0.000 0.918 189 Q HN 0.428 nan 8.270 nan 0.000 0.444 190 Y N -0.443 119.907 120.300 0.082 0.000 2.546 190 Y HA 0.074 4.624 4.550 0.001 0.000 0.287 190 Y C 0.450 176.345 175.900 -0.008 0.000 1.158 190 Y CA -0.648 57.486 58.100 0.056 0.000 1.307 190 Y CB -0.204 38.321 38.460 0.107 0.000 1.036 190 Y HN 0.088 nan 8.280 nan 0.000 0.532 191 Y N 2.452 122.711 120.300 -0.069 0.000 2.904 191 Y HA -0.027 4.524 4.550 0.001 0.000 0.336 191 Y C 0.152 175.928 175.900 -0.205 0.000 1.263 191 Y CA 0.120 58.035 58.100 -0.309 0.000 1.547 191 Y CB 0.217 38.444 38.460 -0.389 0.000 1.272 191 Y HN 0.063 nan 8.280 nan 0.000 0.596 192 D N 3.298 123.053 120.400 -1.076 0.000 2.575 192 D HA 0.096 4.736 4.640 0.001 0.000 0.250 192 D C -0.623 175.142 176.300 -0.891 0.000 1.279 192 D CA -0.333 53.234 54.000 -0.721 0.000 0.925 192 D CB 1.011 41.569 40.800 -0.403 0.000 1.261 192 D HN 0.531 nan 8.370 nan 0.000 0.567 193 S N 2.880 118.239 115.700 -0.569 0.000 2.930 193 S HA 0.190 4.661 4.470 0.001 0.000 0.257 193 S C 0.611 175.082 174.600 -0.214 0.000 1.208 193 S CA -0.215 57.794 58.200 -0.318 0.000 1.233 193 S CB -0.061 63.094 63.200 -0.075 0.000 0.900 193 S HN 0.468 nan 8.310 nan 0.000 0.472 194 K N 0.206 120.454 120.400 -0.254 0.000 2.558 194 K HA 0.218 4.539 4.320 0.001 0.000 0.215 194 K C -0.124 176.365 176.600 -0.185 0.000 1.298 194 K CA -0.305 55.875 56.287 -0.178 0.000 1.008 194 K CB 0.344 32.753 32.500 -0.152 0.000 1.073 194 K HN 0.330 nan 8.250 nan 0.000 0.606 195 N N 1.761 120.321 118.700 -0.233 0.000 2.430 195 N HA 0.020 4.760 4.740 0.001 0.000 0.292 195 N C -0.306 175.092 175.510 -0.187 0.000 1.051 195 N CA 0.118 53.028 53.050 -0.233 0.000 0.917 195 N CB 1.838 40.150 38.487 -0.292 0.000 1.164 195 N HN -0.063 nan 8.380 nan 0.000 0.484 196 D N 1.447 121.745 120.400 -0.170 0.000 2.389 196 D HA -0.146 4.495 4.640 0.001 0.000 0.221 196 D C 1.067 177.317 176.300 -0.083 0.000 0.974 196 D CA 1.292 55.224 54.000 -0.114 0.000 0.923 196 D CB 0.548 41.282 40.800 -0.109 0.000 0.892 196 D HN 0.488 nan 8.370 nan 0.000 0.518 197 Q N -1.257 118.482 119.800 -0.103 0.000 2.462 197 Q HA 0.259 4.599 4.340 0.001 0.000 0.224 197 Q C 1.848 177.886 176.000 0.063 0.000 0.911 197 Q CA 0.535 56.329 55.803 -0.015 0.000 0.925 197 Q CB 0.073 28.809 28.738 -0.004 0.000 1.063 197 Q HN 0.259 nan 8.270 nan 0.000 0.572 198 M N -0.552 119.063 119.600 0.025 0.000 2.123 198 M HA 0.015 4.495 4.480 0.001 0.000 0.263 198 M C 2.066 178.470 176.300 0.174 0.000 1.069 198 M CA 1.487 56.870 55.300 0.138 0.000 1.133 198 M CB -0.338 32.138 32.600 -0.207 0.000 1.356 198 M HN 0.244 nan 8.290 nan 0.000 0.415 199 A N 0.483 123.304 122.820 0.001 0.000 2.032 199 A HA -0.224 4.096 4.320 0.001 0.000 0.221 199 A C 2.143 179.800 177.584 0.121 0.000 1.165 199 A CA 2.035 54.122 52.037 0.083 0.000 0.645 199 A CB -0.689 18.300 19.000 -0.018 0.000 0.807 199 A HN 0.495 nan 8.150 nan 0.000 0.453 200 K N -0.342 120.116 120.400 0.096 0.000 2.076 200 K HA 0.062 4.383 4.320 0.001 0.000 0.204 200 K C 1.822 178.492 176.600 0.117 0.000 1.051 200 K CA 0.854 57.191 56.287 0.083 0.000 0.949 200 K CB -0.267 32.264 32.500 0.051 0.000 0.726 200 K HN 0.454 nan 8.250 nan 0.000 0.443 201 L N 1.658 122.986 121.223 0.175 0.000 2.046 201 L HA -0.223 4.117 4.340 0.001 0.000 0.208 201 L C 2.624 179.607 176.870 0.189 0.000 1.077 201 L CA 1.361 56.305 54.840 0.173 0.000 0.747 201 L CB -0.889 41.303 42.059 0.221 0.000 0.896 201 L HN 0.433 nan 8.230 nan 0.000 0.432 202 N N 0.396 119.265 118.700 0.282 0.000 2.149 202 N HA -0.239 4.501 4.740 0.001 0.000 0.188 202 N C 1.845 177.422 175.510 0.111 0.000 1.019 202 N CA 1.750 54.915 53.050 0.192 0.000 0.857 202 N CB 0.058 38.639 38.487 0.157 0.000 0.997 202 N HN 0.498 nan 8.380 nan 0.000 0.426 203 Q N 0.450 120.312 119.800 0.104 0.000 2.049 203 Q HA -0.092 4.249 4.340 0.001 0.000 0.198 203 Q C 1.940 177.979 176.000 0.066 0.000 0.971 203 Q CA 1.121 56.968 55.803 0.072 0.000 0.833 203 Q CB -0.181 28.592 28.738 0.058 0.000 0.896 203 Q HN 0.450 nan 8.270 nan 0.000 0.434 204 E N 0.627 120.863 120.200 0.061 0.000 2.169 204 E HA -0.250 4.101 4.350 0.001 0.000 0.202 204 E C 1.763 178.386 176.600 0.037 0.000 1.016 204 E CA 1.098 57.523 56.400 0.041 0.000 0.817 204 E CB -0.010 29.712 29.700 0.036 0.000 0.736 204 E HN 0.302 nan 8.360 nan 0.000 0.462 205 L N 0.286 121.541 121.223 0.052 0.000 2.102 205 L HA -0.111 4.230 4.340 0.001 0.000 0.202 205 L C 2.575 179.496 176.870 0.085 0.000 1.076 205 L CA 0.605 55.473 54.840 0.047 0.000 0.761 205 L CB -0.378 41.711 42.059 0.051 0.000 0.921 205 L HN 0.049 nan 8.230 nan 0.000 0.444 206 E N 0.570 120.843 120.200 0.122 0.000 2.065 206 E HA -0.238 4.113 4.350 0.001 0.000 0.201 206 E C 2.102 178.821 176.600 0.197 0.000 1.016 206 E CA 1.703 58.225 56.400 0.204 0.000 0.818 206 E CB -0.626 29.141 29.700 0.112 0.000 0.749 206 E HN 0.535 nan 8.360 nan 0.000 0.453 207 G N 1.418 110.283 108.800 0.108 0.000 2.446 207 G HA2 -0.297 3.664 3.960 0.001 0.000 0.217 207 G HA3 -0.297 3.664 3.960 0.001 0.000 0.217 207 G C 1.646 176.584 174.900 0.063 0.000 1.168 207 G CA 1.132 46.281 45.100 0.082 0.000 0.771 207 G HN 0.236 nan 8.290 nan 0.000 0.551 208 K N -0.217 120.204 120.400 0.034 0.000 2.032 208 K HA -0.047 4.274 4.320 0.001 0.000 0.209 208 K C 2.582 179.163 176.600 -0.032 0.000 1.048 208 K CA 1.231 57.511 56.287 -0.012 0.000 0.927 208 K CB -0.345 32.133 32.500 -0.036 0.000 0.712 208 K HN 0.208 nan 8.250 nan 0.000 0.441 209 V N 1.193 121.092 119.914 -0.025 0.000 2.427 209 V HA -0.251 3.870 4.120 0.001 0.000 0.248 209 V C 2.264 178.295 176.094 -0.106 0.000 1.051 209 V CA 1.873 64.094 62.300 -0.131 0.000 1.048 209 V CB -0.638 31.009 31.823 -0.293 0.000 0.666 209 V HN 0.370 nan 8.190 nan 0.000 0.456 210 A N 1.640 124.494 122.820 0.056 0.000 1.841 210 A HA -0.271 4.050 4.320 0.001 0.000 0.216 210 A C 1.981 179.614 177.584 0.082 0.000 1.199 210 A CA 2.053 54.174 52.037 0.141 0.000 0.621 210 A CB -0.897 18.221 19.000 0.195 0.000 0.835 210 A HN 0.684 nan 8.150 nan 0.000 0.445 211 D N -0.396 120.041 120.400 0.061 0.000 2.310 211 D HA -0.045 4.595 4.640 0.001 0.000 0.212 211 D C 1.744 178.090 176.300 0.077 0.000 0.965 211 D CA 1.257 55.292 54.000 0.059 0.000 0.879 211 D CB -0.597 40.225 40.800 0.036 0.000 0.921 211 D HN 0.312 nan 8.370 nan 0.000 0.510 212 S N -0.135 115.595 115.700 0.050 0.000 2.395 212 S HA 0.107 4.578 4.470 0.001 0.000 0.225 212 S C 2.009 176.810 174.600 0.334 0.000 1.027 212 S CA 0.093 58.359 58.200 0.111 0.000 0.965 212 S CB -0.038 63.128 63.200 -0.057 0.000 0.812 212 S HN 0.252 nan 8.310 nan 0.000 0.482 213 L N 1.523 122.836 121.223 0.149 0.000 2.156 213 L HA -0.028 4.312 4.340 0.001 0.000 0.208 213 L C 2.505 179.436 176.870 0.102 0.000 1.095 213 L CA 1.259 56.163 54.840 0.105 0.000 0.770 213 L CB -0.557 41.505 42.059 0.005 0.000 0.914 213 L HN 0.400 nan 8.230 nan 0.000 0.439 214 S N -1.388 114.379 115.700 0.112 0.000 2.470 214 S HA -0.069 4.401 4.470 0.001 0.000 0.225 214 S C 1.923 176.586 174.600 0.104 0.000 1.006 214 S CA 0.607 58.859 58.200 0.087 0.000 0.934 214 S CB -0.100 63.146 63.200 0.076 0.000 0.778 214 S HN 0.457 nan 8.310 nan 0.000 0.517 215 S N 0.477 116.292 115.700 0.192 0.000 2.517 215 S HA 0.349 4.820 4.470 0.001 0.000 0.214 215 S C 0.609 175.335 174.600 0.210 0.000 0.991 215 S CA -0.601 57.740 58.200 0.236 0.000 0.906 215 S CB -0.686 62.698 63.200 0.307 0.000 0.789 215 S HN 0.574 nan 8.310 nan 0.000 0.513 216 I N 2.729 123.357 120.570 0.095 0.000 2.948 216 I HA 0.050 4.220 4.170 0.001 0.000 0.290 216 I C 0.289 176.195 176.117 -0.350 0.000 1.226 216 I CA 0.050 61.053 61.300 -0.495 0.000 1.413 216 I CB 0.990 38.692 38.000 -0.497 0.000 1.352 216 I HN 0.264 nan 8.210 nan 0.000 0.597 217 S N 5.166 120.580 115.700 -0.476 0.000 2.473 217 S HA 0.217 4.688 4.470 0.001 0.000 0.312 217 S C 0.037 174.419 174.600 -0.363 0.000 1.087 217 S CA -0.634 57.364 58.200 -0.337 0.000 1.077 217 S CB -0.051 62.931 63.200 -0.363 0.000 1.065 217 S HN 0.602 nan 8.310 nan 0.000 0.510 218 S N 5.182 120.732 115.700 -0.250 0.000 4.120 218 S HA 0.295 4.765 4.470 0.001 0.000 0.196 218 S C -0.167 174.328 174.600 -0.174 0.000 1.447 218 S CA -0.485 57.589 58.200 -0.210 0.000 0.939 218 S CB -0.059 63.055 63.200 -0.144 0.000 1.496 218 S HN 0.776 nan 8.310 nan 0.000 0.460 219 Q N 0.244 119.918 119.800 -0.210 0.000 2.458 219 Q HA 0.698 5.038 4.340 0.001 0.000 0.282 219 Q C 0.630 176.553 176.000 -0.128 0.000 1.106 219 Q CA -0.650 55.060 55.803 -0.156 0.000 0.814 219 Q CB 1.378 30.015 28.738 -0.168 0.000 1.425 219 Q HN 0.401 nan 8.270 nan 0.000 0.437 220 A N 0.851 123.627 122.820 -0.074 0.000 2.169 220 A HA -0.044 4.277 4.320 0.001 0.000 0.212 220 A C 0.336 177.918 177.584 -0.003 0.000 1.153 220 A CA 1.240 53.262 52.037 -0.026 0.000 0.756 220 A CB 0.044 19.037 19.000 -0.012 0.000 0.813 220 A HN 0.733 nan 8.150 nan 0.000 0.471 221 D N -0.245 120.132 120.400 -0.038 0.000 2.673 221 D HA 0.045 4.685 4.640 0.001 0.000 0.278 221 D C 0.045 176.305 176.300 -0.066 0.000 1.393 221 D CA -0.602 53.386 54.000 -0.020 0.000 0.805 221 D CB -0.656 40.130 40.800 -0.024 0.000 1.110 221 D HN 0.518 nan 8.370 nan 0.000 0.476 222 R N 0.334 120.754 120.500 -0.133 0.000 2.583 222 R HA 0.133 4.473 4.340 0.001 0.000 0.274 222 R C 0.755 176.970 176.300 -0.142 0.000 0.998 222 R CA -0.209 55.713 56.100 -0.296 0.000 1.081 222 R CB 0.977 30.964 30.300 -0.521 0.000 0.940 222 R HN 0.157 nan 8.270 nan 0.000 0.413 223 I N 2.005 122.414 120.570 -0.267 0.000 3.783 223 I HA 0.089 4.259 4.170 0.001 0.000 0.310 223 I C -0.772 175.482 176.117 0.229 0.000 1.274 223 I CA -0.337 60.979 61.300 0.026 0.000 1.294 223 I CB 0.373 38.343 38.000 -0.050 0.000 1.051 223 I HN 0.760 nan 8.210 nan 0.000 0.435 224 Y N -2.632 117.685 120.300 0.029 0.000 2.592 224 Y HA 0.402 4.951 4.550 -0.001 0.000 0.334 224 Y C -0.236 175.422 175.900 -0.405 0.000 1.136 224 Y CA -1.489 56.609 58.100 -0.003 0.000 1.042 224 Y CB 0.235 38.691 38.460 -0.006 0.000 1.325 224 Y HN -0.250 nan 8.280 nan 0.000 0.457 225 L N 0.144 121.244 121.223 -0.205 0.000 2.049 225 L HA 0.062 4.402 4.340 0.001 0.000 0.203 225 L C 0.169 176.784 176.870 -0.425 0.000 1.074 225 L CA 1.147 55.627 54.840 -0.600 0.000 0.749 225 L CB 0.075 41.686 42.059 -0.747 0.000 0.907 225 L HN 0.505 nan 8.230 nan 0.000 0.439 226 W N 0.088 121.476 121.300 0.147 0.000 2.702 226 W HA 0.220 4.880 4.660 -0.000 0.000 0.331 226 W C 0.917 177.353 176.519 -0.137 0.000 1.049 226 W CA -0.621 56.776 57.345 0.086 0.000 1.230 226 W CB 1.565 31.110 29.460 0.142 0.000 1.408 226 W HN 0.103 nan 8.180 nan 0.000 0.492 227 E N 1.866 121.990 120.200 -0.127 0.000 2.208 227 E HA -0.178 4.172 4.350 0.001 0.000 0.193 227 E C 1.877 178.210 176.600 -0.445 0.000 0.988 227 E CA 1.107 57.131 56.400 -0.628 0.000 0.828 227 E CB 0.263 29.698 29.700 -0.442 0.000 0.763 227 E HN 0.372 nan 8.360 nan 0.000 0.478 228 K N -0.443 119.746 120.400 -0.352 0.000 2.283 228 K HA -0.102 4.219 4.320 0.001 0.000 0.202 228 K C -0.110 175.862 176.600 -1.047 0.000 1.048 228 K CA 0.832 56.699 56.287 -0.700 0.000 0.948 228 K CB 0.117 32.111 32.500 -0.845 0.000 0.742 228 K HN 0.100 nan 8.250 nan 0.000 0.458 229 F N -0.029 119.856 119.950 -0.107 0.000 2.749 229 F HA 0.175 4.704 4.527 0.002 0.000 0.380 229 F C 1.208 176.849 175.800 -0.265 0.000 1.365 229 F CA -0.603 57.333 58.000 -0.106 0.000 1.186 229 F CB 0.644 39.644 39.000 -0.001 0.000 1.080 229 F HN -0.049 nan 8.300 nan 0.000 0.513 230 S N -0.776 114.706 115.700 -0.363 0.000 2.345 230 S HA -0.157 4.314 4.470 0.001 0.000 0.219 230 S C 1.055 175.241 174.600 -0.690 0.000 1.031 230 S CA 0.626 58.470 58.200 -0.593 0.000 0.984 230 S CB -0.576 62.151 63.200 -0.788 0.000 0.874 230 S HN 0.393 nan 8.310 nan 0.000 0.451 231 N N 1.138 119.618 118.700 -0.365 0.000 2.399 231 N HA 0.022 4.763 4.740 0.001 0.000 0.284 231 N C -0.488 174.949 175.510 -0.122 0.000 1.283 231 N CA -0.167 52.770 53.050 -0.188 0.000 0.972 231 N CB -0.335 38.106 38.487 -0.075 0.000 1.328 231 N HN 0.306 nan 8.380 nan 0.000 0.486 232 Y N 1.918 122.309 120.300 0.151 0.000 2.553 232 Y HA 0.074 4.625 4.550 0.002 0.000 0.303 232 Y C 1.484 177.477 175.900 0.155 0.000 1.194 232 Y CA 0.309 58.502 58.100 0.156 0.000 1.305 232 Y CB 0.044 38.614 38.460 0.184 0.000 1.045 232 Y HN 0.532 nan 8.280 nan 0.000 0.514 233 K N -0.610 119.935 120.400 0.241 0.000 2.365 233 K HA 0.060 4.381 4.320 0.001 0.000 0.197 233 K C 0.237 176.955 176.600 0.197 0.000 1.042 233 K CA 0.580 56.996 56.287 0.214 0.000 0.987 233 K CB 0.138 32.730 32.500 0.154 0.000 0.779 233 K HN 0.022 nan 8.250 nan 0.000 0.484 234 T N 1.674 116.330 114.554 0.170 0.000 2.891 234 T HA 0.034 4.385 4.350 0.001 0.000 0.315 234 T C 1.104 175.909 174.700 0.174 0.000 1.054 234 T CA -0.313 61.874 62.100 0.146 0.000 0.958 234 T CB 1.259 70.186 68.868 0.099 0.000 1.008 234 T HN 0.179 nan 8.240 nan 0.000 0.521 235 S N 2.941 118.763 115.700 0.203 0.000 2.413 235 S HA -0.278 4.193 4.470 0.001 0.000 0.237 235 S C 2.428 177.084 174.600 0.093 0.000 1.044 235 S CA 1.100 59.403 58.200 0.172 0.000 1.024 235 S CB -0.546 62.838 63.200 0.308 0.000 0.829 235 S HN 0.774 nan 8.310 nan 0.000 0.475 236 A N 2.395 125.279 122.820 0.107 0.000 2.024 236 A HA -0.151 4.170 4.320 0.001 0.000 0.220 236 A C 2.059 179.693 177.584 0.083 0.000 1.164 236 A CA 1.677 53.764 52.037 0.083 0.000 0.643 236 A CB -1.068 17.978 19.000 0.077 0.000 0.806 236 A HN 0.749 nan 8.150 nan 0.000 0.451 237 N N -0.379 118.411 118.700 0.150 0.000 2.331 237 N HA -0.007 4.733 4.740 0.001 0.000 0.180 237 N C 1.537 177.170 175.510 0.205 0.000 1.019 237 N CA 0.931 54.117 53.050 0.226 0.000 0.881 237 N CB -0.190 38.452 38.487 0.257 0.000 0.972 237 N HN 0.468 nan 8.380 nan 0.000 0.435 238 L N 0.087 121.390 121.223 0.135 0.000 2.044 238 L HA -0.102 4.238 4.340 0.001 0.000 0.205 238 L C 2.206 179.063 176.870 -0.021 0.000 1.075 238 L CA 1.085 55.935 54.840 0.016 0.000 0.747 238 L CB -0.867 41.085 42.059 -0.177 0.000 0.903 238 L HN 0.186 nan 8.230 nan 0.000 0.435 239 T N 0.265 114.786 114.554 -0.055 0.000 2.708 239 T HA -0.170 4.181 4.350 0.001 0.000 0.266 239 T C 2.049 176.690 174.700 -0.098 0.000 1.037 239 T CA 1.434 63.502 62.100 -0.054 0.000 1.146 239 T CB -0.230 68.627 68.868 -0.019 0.000 0.865 239 T HN 0.433 nan 8.240 nan 0.000 0.435 240 A N 1.293 123.987 122.820 -0.210 0.000 1.883 240 A HA -0.154 4.166 4.320 0.001 0.000 0.217 240 A C 2.565 179.861 177.584 -0.480 0.000 1.186 240 A CA 2.242 53.987 52.037 -0.487 0.000 0.624 240 A CB -1.367 17.033 19.000 -1.000 0.000 0.822 240 A HN 0.477 nan 8.150 nan 0.000 0.444 241 T N -1.107 113.264 114.554 -0.304 0.000 2.652 241 T HA -0.195 4.155 4.350 0.001 0.000 0.267 241 T C 1.745 176.345 174.700 -0.168 0.000 1.039 241 T CA 1.985 63.986 62.100 -0.165 0.000 1.153 241 T CB -0.500 68.383 68.868 0.026 0.000 0.863 241 T HN 0.527 nan 8.240 nan 0.000 0.428 242 Y N 1.391 121.654 120.300 -0.061 0.000 2.333 242 Y HA 0.001 4.552 4.550 0.002 0.000 0.290 242 Y C 2.575 178.415 175.900 -0.099 0.000 1.144 242 Y CA 0.578 58.642 58.100 -0.061 0.000 1.228 242 Y CB -0.313 38.080 38.460 -0.111 0.000 0.985 242 Y HN 0.103 nan 8.280 nan 0.000 0.542 243 R N -0.029 120.455 120.500 -0.028 0.000 2.148 243 R HA -0.119 4.222 4.340 0.001 0.000 0.227 243 R C 2.005 178.221 176.300 -0.141 0.000 1.103 243 R CA 1.114 57.160 56.100 -0.090 0.000 0.983 243 R CB -0.123 30.091 30.300 -0.143 0.000 0.874 243 R HN 0.319 nan 8.270 nan 0.000 0.451 244 K N 0.467 120.721 120.400 -0.243 0.000 2.155 244 K HA -0.031 4.289 4.320 0.001 0.000 0.203 244 K C 2.023 178.555 176.600 -0.114 0.000 1.052 244 K CA 0.849 56.956 56.287 -0.300 0.000 0.948 244 K CB 0.036 32.114 32.500 -0.703 0.000 0.728 244 K HN 0.144 nan 8.250 nan 0.000 0.448 245 L N 0.756 121.977 121.223 -0.003 0.000 2.056 245 L HA -0.163 4.177 4.340 0.001 0.000 0.207 245 L C 2.575 179.480 176.870 0.059 0.000 1.078 245 L CA 1.267 56.164 54.840 0.094 0.000 0.749 245 L CB -0.400 41.762 42.059 0.171 0.000 0.901 245 L HN 0.273 nan 8.230 nan 0.000 0.433 246 E N 0.661 120.884 120.200 0.037 0.000 2.077 246 E HA -0.245 4.106 4.350 0.001 0.000 0.193 246 E C 1.962 178.562 176.600 0.000 0.000 0.989 246 E CA 1.339 57.754 56.400 0.024 0.000 0.800 246 E CB 0.096 29.800 29.700 0.006 0.000 0.746 246 E HN 0.499 nan 8.360 nan 0.000 0.452 247 E N -0.046 120.134 120.200 -0.034 0.000 2.153 247 E HA -0.198 4.152 4.350 0.001 0.000 0.194 247 E C 2.134 178.717 176.600 -0.028 0.000 0.988 247 E CA 1.153 57.527 56.400 -0.043 0.000 0.811 247 E CB -0.093 29.560 29.700 -0.078 0.000 0.746 247 E HN 0.401 nan 8.360 nan 0.000 0.466 248 M N 0.304 119.887 119.600 -0.028 0.000 2.200 248 M HA -0.085 4.396 4.480 0.001 0.000 0.265 248 M C 2.468 178.777 176.300 0.016 0.000 1.066 248 M CA 1.141 56.419 55.300 -0.037 0.000 1.127 248 M CB -0.111 32.474 32.600 -0.025 0.000 1.379 248 M HN 0.128 nan 8.290 nan 0.000 0.420 249 A N 0.587 123.439 122.820 0.053 0.000 1.972 249 A HA -0.170 4.151 4.320 0.001 0.000 0.219 249 A C 2.068 179.714 177.584 0.103 0.000 1.169 249 A CA 1.592 53.691 52.037 0.102 0.000 0.635 249 A CB -0.439 18.632 19.000 0.117 0.000 0.810 249 A HN 0.426 nan 8.150 nan 0.000 0.446 250 K N -0.835 119.602 120.400 0.061 0.000 2.025 250 K HA -0.111 4.209 4.320 0.001 0.000 0.207 250 K C 2.277 178.925 176.600 0.081 0.000 1.049 250 K CA 1.299 57.620 56.287 0.056 0.000 0.933 250 K CB -0.144 32.363 32.500 0.011 0.000 0.714 250 K HN 0.369 nan 8.250 nan 0.000 0.438 251 Q N 0.574 120.423 119.800 0.082 0.000 2.083 251 Q HA -0.079 4.261 4.340 0.001 0.000 0.198 251 Q C 2.203 178.313 176.000 0.184 0.000 0.969 251 Q CA 0.848 56.723 55.803 0.120 0.000 0.838 251 Q CB -0.625 28.212 28.738 0.164 0.000 0.900 251 Q HN 0.124 nan 8.270 nan 0.000 0.436 252 V N 2.047 122.064 119.914 0.171 0.000 2.982 252 V HA -0.147 3.973 4.120 0.001 0.000 0.265 252 V C 1.400 177.711 176.094 0.361 0.000 1.122 252 V CA 2.115 64.540 62.300 0.209 0.000 1.143 252 V CB -0.429 31.438 31.823 0.073 0.000 0.726 252 V HN 0.590 nan 8.190 nan 0.000 0.507 253 T N -3.266 111.478 114.554 0.317 0.000 3.252 253 T HA 0.218 4.569 4.350 0.001 0.000 0.286 253 T C 0.283 175.058 174.700 0.125 0.000 1.013 253 T CA -0.123 62.187 62.100 0.351 0.000 0.914 253 T CB -0.768 68.264 68.868 0.273 0.000 1.131 253 T HN 0.510 nan 8.240 nan 0.000 0.529 254 N N 1.640 120.342 118.700 0.005 0.000 2.511 254 N HA 0.333 5.073 4.740 0.001 0.000 0.249 254 N C -2.212 172.956 175.510 -0.570 0.000 0.971 254 N CA -2.403 50.503 53.050 -0.239 0.000 0.938 254 N CB 1.739 40.109 38.487 -0.194 0.000 1.131 254 N HN -0.161 nan 8.380 nan 0.000 0.505 255 P HA -0.134 nan 4.420 nan 0.000 0.219 255 P C 0.376 177.407 177.300 -0.449 0.000 1.144 255 P CA 1.207 63.576 63.100 -1.217 0.000 0.806 255 P CB 0.319 31.622 31.700 -0.661 0.000 0.771 256 S N -2.110 113.400 115.700 -0.317 0.000 2.548 256 S HA 0.069 4.539 4.470 0.001 0.000 0.215 256 S C 0.978 175.498 174.600 -0.132 0.000 0.976 256 S CA -0.102 58.002 58.200 -0.160 0.000 0.908 256 S CB -0.289 62.855 63.200 -0.094 0.000 0.781 256 S HN 0.137 nan 8.310 nan 0.000 0.519 257 S N 1.623 117.242 115.700 -0.135 0.000 2.592 257 S HA 0.151 4.622 4.470 0.001 0.000 0.271 257 S C 1.365 175.954 174.600 -0.019 0.000 1.326 257 S CA -0.724 57.446 58.200 -0.049 0.000 1.024 257 S CB 0.603 63.830 63.200 0.045 0.000 0.921 257 S HN 0.531 nan 8.310 nan 0.000 0.527 258 R N 1.868 122.277 120.500 -0.152 0.000 2.280 258 R HA 0.003 4.343 4.340 0.001 0.000 0.207 258 R C 0.194 176.361 176.300 -0.222 0.000 1.043 258 R CA 1.208 57.164 56.100 -0.240 0.000 1.006 258 R CB -0.423 29.625 30.300 -0.419 0.000 0.885 258 R HN 0.684 nan 8.270 nan 0.000 0.467 259 Y N -0.360 119.978 120.300 0.063 0.000 2.524 259 Y HA 0.153 4.703 4.550 0.000 0.000 0.266 259 Y C -0.090 175.876 175.900 0.111 0.000 1.180 259 Y CA -1.572 56.563 58.100 0.059 0.000 1.244 259 Y CB -0.323 38.162 38.460 0.041 0.000 1.125 259 Y HN 0.006 nan 8.280 nan 0.000 0.524 260 Y N 2.940 123.299 120.300 0.098 0.000 2.650 260 Y HA 0.104 4.655 4.550 0.001 0.000 0.342 260 Y C 0.657 176.602 175.900 0.075 0.000 1.110 260 Y CA -0.307 57.839 58.100 0.078 0.000 1.438 260 Y CB -0.545 37.940 38.460 0.042 0.000 1.181 260 Y HN 0.462 nan 8.280 nan 0.000 0.526 261 Q N 2.260 121.974 119.800 -0.143 0.000 2.502 261 Q HA -0.280 4.061 4.340 0.001 0.000 0.273 261 Q C -0.762 175.160 176.000 -0.130 0.000 1.127 261 Q CA 1.049 56.709 55.803 -0.239 0.000 0.952 261 Q CB -1.182 27.265 28.738 -0.485 0.000 1.333 261 Q HN 0.733 nan 8.270 nan 0.000 0.494 262 D N 0.601 120.972 120.400 -0.048 0.000 2.317 262 D HA 0.053 4.693 4.640 0.001 0.000 0.252 262 D C 0.783 177.037 176.300 -0.078 0.000 1.174 262 D CA 0.225 54.219 54.000 -0.009 0.000 0.866 262 D CB 0.779 41.647 40.800 0.114 0.000 1.127 262 D HN 0.225 nan 8.370 nan 0.000 0.467 263 E N 1.419 121.574 120.200 -0.075 0.000 2.204 263 E HA -0.124 4.226 4.350 0.001 0.000 0.195 263 E C 1.478 178.027 176.600 -0.085 0.000 0.990 263 E CA 0.981 57.323 56.400 -0.097 0.000 0.821 263 E CB 0.314 29.975 29.700 -0.065 0.000 0.750 263 E HN 0.481 nan 8.360 nan 0.000 0.477 264 T N 0.500 115.025 114.554 -0.048 0.000 2.737 264 T HA -0.115 4.235 4.350 0.001 0.000 0.265 264 T C 2.073 176.735 174.700 -0.064 0.000 1.038 264 T CA 1.034 63.109 62.100 -0.041 0.000 1.144 264 T CB -0.095 68.768 68.868 -0.008 0.000 0.866 264 T HN -0.012 nan 8.240 nan 0.000 0.434 265 V N 1.264 121.135 119.914 -0.073 0.000 2.270 265 V HA -0.145 3.976 4.120 0.001 0.000 0.245 265 V C 2.665 178.686 176.094 -0.122 0.000 1.043 265 V CA 1.300 63.539 62.300 -0.102 0.000 1.014 265 V CB -0.862 30.888 31.823 -0.120 0.000 0.645 265 V HN 0.291 nan 8.190 nan 0.000 0.447 266 V N 0.009 119.804 119.914 -0.198 0.000 2.231 266 V HA -0.344 3.776 4.120 0.001 0.000 0.248 266 V C 2.599 178.578 176.094 -0.191 0.000 1.054 266 V CA 2.611 64.731 62.300 -0.299 0.000 1.015 266 V CB -0.827 30.695 31.823 -0.502 0.000 0.638 266 V HN 0.456 nan 8.190 nan 0.000 0.444 267 R N -0.476 119.935 120.500 -0.148 0.000 2.091 267 R HA -0.185 4.155 4.340 0.001 0.000 0.238 267 R C 2.399 178.661 176.300 -0.064 0.000 1.136 267 R CA 2.129 58.170 56.100 -0.097 0.000 0.959 267 R CB -0.507 29.749 30.300 -0.074 0.000 0.856 267 R HN 0.596 nan 8.270 nan 0.000 0.437 268 T N 0.264 114.780 114.554 -0.062 0.000 2.746 268 T HA -0.110 4.240 4.350 0.001 0.000 0.267 268 T C 1.843 176.539 174.700 -0.007 0.000 1.039 268 T CA 1.529 63.601 62.100 -0.046 0.000 1.142 268 T CB -0.132 68.709 68.868 -0.044 0.000 0.866 268 T HN 0.043 nan 8.240 nan 0.000 0.444 269 V N 1.473 121.397 119.914 0.016 0.000 2.270 269 V HA -0.160 3.960 4.120 0.001 0.000 0.245 269 V C 2.583 178.755 176.094 0.129 0.000 1.043 269 V CA 1.576 63.933 62.300 0.095 0.000 1.014 269 V CB -0.634 31.272 31.823 0.138 0.000 0.645 269 V HN 0.359 nan 8.190 nan 0.000 0.447 270 R N 0.242 120.789 120.500 0.078 0.000 2.113 270 R HA -0.237 4.104 4.340 0.001 0.000 0.244 270 R C 2.047 178.407 176.300 0.101 0.000 1.142 270 R CA 2.234 58.379 56.100 0.075 0.000 0.953 270 R CB -0.527 29.709 30.300 -0.107 0.000 0.860 270 R HN 0.528 nan 8.270 nan 0.000 0.438 271 D N -0.442 119.996 120.400 0.063 0.000 2.149 271 D HA -0.040 4.601 4.640 0.001 0.000 0.201 271 D C 1.879 178.249 176.300 0.116 0.000 0.972 271 D CA 1.014 55.066 54.000 0.087 0.000 0.835 271 D CB 0.016 40.834 40.800 0.030 0.000 0.966 271 D HN 0.018 nan 8.370 nan 0.000 0.476 272 S N -0.180 115.559 115.700 0.066 0.000 2.383 272 S HA -0.088 4.383 4.470 0.001 0.000 0.227 272 S C 1.868 176.566 174.600 0.163 0.000 1.026 272 S CA 0.682 58.922 58.200 0.067 0.000 0.981 272 S CB -0.033 63.180 63.200 0.022 0.000 0.818 272 S HN 0.221 nan 8.310 nan 0.000 0.472 273 M N 1.056 120.718 119.600 0.104 0.000 2.117 273 M HA -0.064 4.416 4.480 0.001 0.000 0.262 273 M C 2.239 178.582 176.300 0.071 0.000 1.065 273 M CA 1.430 56.726 55.300 -0.007 0.000 1.114 273 M CB -1.291 31.087 32.600 -0.371 0.000 1.361 273 M HN 0.247 nan 8.290 nan 0.000 0.408 274 E N -0.533 119.778 120.200 0.186 0.000 2.031 274 E HA -0.229 4.121 4.350 0.001 0.000 0.193 274 E C 1.869 178.714 176.600 0.409 0.000 0.994 274 E CA 1.767 58.425 56.400 0.430 0.000 0.800 274 E CB -0.542 29.385 29.700 0.378 0.000 0.752 274 E HN 0.457 nan 8.360 nan 0.000 0.447 275 W N 0.223 121.638 121.300 0.190 0.000 2.318 275 W HA -0.252 4.409 4.660 0.001 0.000 0.313 275 W C 1.997 178.652 176.519 0.227 0.000 1.221 275 W CA 2.267 59.740 57.345 0.214 0.000 1.266 275 W CB -0.221 29.296 29.460 0.095 0.000 1.150 275 W HN 0.122 nan 8.180 nan 0.000 0.496 276 M N -0.918 118.964 119.600 0.469 0.000 2.086 276 M HA -0.267 4.214 4.480 0.001 0.000 0.261 276 M C 2.304 178.729 176.300 0.209 0.000 1.067 276 M CA 2.202 57.669 55.300 0.279 0.000 1.116 276 M CB -2.210 30.541 32.600 0.252 0.000 1.348 276 M HN 0.291 nan 8.290 nan 0.000 0.407 277 H N 0.069 119.285 119.070 0.244 0.000 2.390 277 H HA -0.221 4.335 4.556 0.001 0.000 0.298 277 H C 2.071 177.409 175.328 0.017 0.000 1.106 277 H CA 2.222 58.404 56.048 0.223 0.000 1.297 277 H CB 0.222 30.231 29.762 0.412 0.000 1.375 277 H HN 0.160 nan 8.280 nan 0.000 0.509 278 K N 0.119 120.373 120.400 -0.245 0.000 2.076 278 K HA -0.079 4.241 4.320 0.001 0.000 0.204 278 K C 1.274 177.428 176.600 -0.743 0.000 1.051 278 K CA 1.604 57.552 56.287 -0.564 0.000 0.949 278 K CB -0.031 32.127 32.500 -0.571 0.000 0.726 278 K HN 0.440 nan 8.250 nan 0.000 0.443 279 H N -1.634 117.103 119.070 -0.555 0.000 2.652 279 H HA 0.302 4.859 4.556 0.002 0.000 0.274 279 H C 0.563 175.649 175.328 -0.403 0.000 1.021 279 H CA 0.314 56.012 56.048 -0.584 0.000 1.187 279 H CB 1.056 30.202 29.762 -1.027 0.000 1.505 279 H HN -0.037 nan 8.280 nan 0.000 0.530 280 V N -1.643 118.153 119.914 -0.197 0.000 3.219 280 V HA 0.075 4.195 4.120 0.001 0.000 0.214 280 V C -1.072 175.089 176.094 0.112 0.000 1.433 280 V CA -0.083 62.158 62.300 -0.099 0.000 1.301 280 V CB 0.749 32.358 31.823 -0.357 0.000 1.160 280 V HN 0.161 nan 8.190 nan 0.000 0.505 281 Y N 4.485 124.807 120.300 0.036 0.000 2.426 281 Y HA 0.653 5.203 4.550 0.001 0.000 0.325 281 Y C -0.324 175.700 175.900 0.207 0.000 0.989 281 Y CA -1.217 56.974 58.100 0.152 0.000 1.284 281 Y CB 0.706 39.290 38.460 0.207 0.000 1.104 281 Y HN 0.527 nan 8.280 nan 0.000 0.481 282 N N 1.010 119.630 118.700 -0.133 0.000 3.141 282 N HA 0.184 4.924 4.740 0.001 0.000 0.267 282 N C -0.399 175.009 175.510 -0.171 0.000 1.521 282 N CA -0.797 52.169 53.050 -0.140 0.000 0.860 282 N CB 1.289 39.676 38.487 -0.167 0.000 1.531 282 N HN 0.209 nan 8.380 nan 0.000 0.563 283 S N -0.076 115.516 115.700 -0.179 0.000 2.447 283 S HA -0.090 4.381 4.470 0.001 0.000 0.233 283 S C 1.211 175.679 174.600 -0.220 0.000 1.006 283 S CA 0.984 59.025 58.200 -0.265 0.000 0.957 283 S CB -0.344 62.741 63.200 -0.192 0.000 0.773 283 S HN 0.495 nan 8.310 nan 0.000 0.507 284 E N 0.866 120.985 120.200 -0.134 0.000 2.152 284 E HA -0.003 4.347 4.350 0.001 0.000 0.192 284 E C 1.066 177.650 176.600 -0.026 0.000 0.983 284 E CA 0.555 56.903 56.400 -0.087 0.000 0.818 284 E CB 0.171 29.819 29.700 -0.086 0.000 0.758 284 E HN 0.356 nan 8.360 nan 0.000 0.467 285 K N 0.541 120.968 120.400 0.045 0.000 2.090 285 K HA 0.221 4.542 4.320 0.001 0.000 0.250 285 K C -0.548 176.231 176.600 0.299 0.000 1.004 285 K CA -0.263 56.134 56.287 0.184 0.000 0.919 285 K CB 1.347 34.019 32.500 0.286 0.000 1.045 285 K HN -0.159 nan 8.250 nan 0.000 0.471 286 S N 1.126 117.004 115.700 0.296 0.000 2.704 286 S HA 0.431 4.901 4.470 0.001 0.000 0.305 286 S C -0.218 174.471 174.600 0.149 0.000 1.107 286 S CA -0.830 57.548 58.200 0.297 0.000 0.993 286 S CB 0.830 64.112 63.200 0.138 0.000 1.110 286 S HN 0.501 nan 8.310 nan 0.000 0.534 287 I N 2.207 122.739 120.570 -0.064 0.000 2.581 287 I HA 0.123 4.294 4.170 0.001 0.000 0.285 287 I C -0.942 174.954 176.117 -0.369 0.000 1.129 287 I CA 0.089 60.959 61.300 -0.717 0.000 1.397 287 I CB 0.151 37.880 38.000 -0.451 0.000 1.399 287 I HN 0.131 nan 8.210 nan 0.000 0.537 288 V N 6.837 126.541 119.914 -0.350 0.000 2.407 288 V HA 0.788 4.909 4.120 0.001 0.000 0.291 288 V C 0.574 176.753 176.094 0.142 0.000 1.018 288 V CA 0.177 62.495 62.300 0.030 0.000 0.842 288 V CB 0.679 32.607 31.823 0.175 0.000 0.996 288 V HN 1.135 nan 8.190 nan 0.000 0.426 289 G N 5.520 114.388 108.800 0.113 0.000 2.846 289 G HA2 -0.188 3.772 3.960 0.001 0.000 0.225 289 G HA3 -0.188 3.772 3.960 0.001 0.000 0.225 289 G C -0.336 174.652 174.900 0.148 0.000 1.285 289 G CA 0.089 45.283 45.100 0.157 0.000 1.055 289 G HN 0.844 nan 8.290 nan 0.000 0.579 290 N N 1.662 120.469 118.700 0.179 0.000 2.437 290 N HA 0.345 5.085 4.740 0.001 0.000 0.259 290 N C 1.471 177.058 175.510 0.128 0.000 0.983 290 N CA -0.110 53.016 53.050 0.127 0.000 0.937 290 N CB 0.320 38.837 38.487 0.049 0.000 1.122 290 N HN 0.762 nan 8.380 nan 0.000 0.499 291 W N 3.189 124.560 121.300 0.119 0.000 2.325 291 W HA -0.195 4.465 4.660 0.001 0.000 0.299 291 W C 1.129 177.730 176.519 0.137 0.000 1.215 291 W CA 0.200 57.587 57.345 0.069 0.000 1.244 291 W CB -1.139 28.374 29.460 0.088 0.000 1.140 291 W HN 0.658 nan 8.180 nan 0.000 0.523 292 W N 3.082 123.626 121.300 -1.260 0.000 2.321 292 W HA -0.235 4.425 4.660 0.000 0.000 0.306 292 W C 2.145 178.392 176.519 -0.454 0.000 1.217 292 W CA 2.803 59.394 57.345 -1.258 0.000 1.257 292 W CB -0.514 28.213 29.460 -1.221 0.000 1.145 292 W HN -0.129 nan 8.180 nan 0.000 0.509 293 D N -1.239 119.108 120.400 -0.087 0.000 2.097 293 D HA -0.224 4.417 4.640 0.001 0.000 0.195 293 D C 1.816 177.947 176.300 -0.281 0.000 0.989 293 D CA 1.754 55.669 54.000 -0.141 0.000 0.827 293 D CB -0.744 40.071 40.800 0.026 0.000 0.966 293 D HN 0.249 nan 8.370 nan 0.000 0.456 294 Y N 1.258 121.385 120.300 -0.287 0.000 2.373 294 Y HA 0.012 4.562 4.550 0.001 0.000 0.293 294 Y C 2.229 178.019 175.900 -0.182 0.000 1.129 294 Y CA 0.615 58.534 58.100 -0.301 0.000 1.226 294 Y CB -0.039 38.063 38.460 -0.595 0.000 1.000 294 Y HN 0.029 nan 8.280 nan 0.000 0.549 295 E N -1.138 119.066 120.200 0.005 0.000 2.340 295 E HA 0.138 4.488 4.350 0.001 0.000 0.198 295 E C 1.325 177.868 176.600 -0.096 0.000 0.961 295 E CA 0.599 57.066 56.400 0.111 0.000 0.905 295 E CB 0.368 30.314 29.700 0.409 0.000 0.884 295 E HN 0.426 nan 8.360 nan 0.000 0.491 296 I N -0.986 119.240 120.570 -0.574 0.000 3.746 296 I HA 0.132 4.302 4.170 0.001 0.000 0.262 296 I C 2.289 177.892 176.117 -0.857 0.000 1.153 296 I CA 0.408 61.268 61.300 -0.732 0.000 1.395 296 I CB -0.276 37.046 38.000 -1.130 0.000 1.589 296 I HN 0.013 nan 8.210 nan 0.000 0.441 297 G N 1.152 109.066 108.800 -1.475 0.000 2.480 297 G HA2 -0.219 3.742 3.960 0.001 0.000 0.216 297 G HA3 -0.219 3.742 3.960 0.001 0.000 0.216 297 G C 1.590 176.227 174.900 -0.439 0.000 1.200 297 G CA 1.942 46.482 45.100 -0.933 0.000 0.782 297 G HN 0.242 nan 8.290 nan 0.000 0.554 298 T N 1.904 116.183 114.554 -0.458 0.000 2.737 298 T HA -0.026 4.324 4.350 0.001 0.000 0.265 298 T C 0.254 174.697 174.700 -0.429 0.000 1.038 298 T CA 1.499 63.322 62.100 -0.462 0.000 1.144 298 T CB -0.826 67.578 68.868 -0.773 0.000 0.866 298 T HN 0.204 nan 8.240 nan 0.000 0.434 299 P HA -0.047 nan 4.420 nan 0.000 0.216 299 P C 1.516 178.736 177.300 -0.133 0.000 1.150 299 P CA 1.153 64.165 63.100 -0.146 0.000 0.843 299 P CB 0.014 31.695 31.700 -0.032 0.000 0.787 300 R N -0.492 119.925 120.500 -0.139 0.000 2.070 300 R HA -0.098 4.243 4.340 0.001 0.000 0.232 300 R C 2.350 178.629 176.300 -0.035 0.000 1.138 300 R CA 1.715 57.784 56.100 -0.051 0.000 0.936 300 R CB -1.290 28.988 30.300 -0.037 0.000 0.839 300 R HN 0.108 nan 8.270 nan 0.000 0.429 301 A N 1.097 123.869 122.820 -0.081 0.000 1.948 301 A HA -0.205 4.115 4.320 0.001 0.000 0.220 301 A C 2.163 179.706 177.584 -0.068 0.000 1.177 301 A CA 1.557 53.565 52.037 -0.049 0.000 0.636 301 A CB -0.640 18.342 19.000 -0.029 0.000 0.815 301 A HN 0.261 nan 8.150 nan 0.000 0.449 302 I N -0.357 120.104 120.570 -0.182 0.000 2.252 302 I HA -0.225 3.945 4.170 0.001 0.000 0.245 302 I C 2.176 178.236 176.117 -0.096 0.000 1.102 302 I CA 1.063 62.242 61.300 -0.202 0.000 1.385 302 I CB -0.425 37.383 38.000 -0.320 0.000 1.064 302 I HN 0.300 nan 8.210 nan 0.000 0.414 303 N N 1.206 119.880 118.700 -0.045 0.000 2.084 303 N HA -0.161 4.580 4.740 0.001 0.000 0.190 303 N C 1.544 177.112 175.510 0.097 0.000 1.030 303 N CA 1.340 54.398 53.050 0.015 0.000 0.849 303 N CB -0.623 37.881 38.487 0.028 0.000 1.012 303 N HN 0.330 nan 8.380 nan 0.000 0.423 304 N N 0.083 118.869 118.700 0.143 0.000 2.244 304 N HA -0.052 4.689 4.740 0.001 0.000 0.183 304 N C 1.554 177.117 175.510 0.088 0.000 1.016 304 N CA 0.933 54.084 53.050 0.170 0.000 0.866 304 N CB -0.639 37.922 38.487 0.124 0.000 0.980 304 N HN 0.257 nan 8.380 nan 0.000 0.430 305 T N 1.499 116.077 114.554 0.041 0.000 2.812 305 T HA 0.090 4.440 4.350 0.001 0.000 0.264 305 T C 2.079 176.783 174.700 0.007 0.000 1.042 305 T CA 0.539 62.661 62.100 0.037 0.000 1.140 305 T CB -0.058 68.823 68.868 0.022 0.000 0.870 305 T HN 0.123 nan 8.240 nan 0.000 0.445 306 L N 0.582 121.751 121.223 -0.089 0.000 2.109 306 L HA -0.013 4.327 4.340 0.001 0.000 0.207 306 L C 2.866 179.742 176.870 0.010 0.000 1.086 306 L CA 0.849 55.576 54.840 -0.188 0.000 0.760 306 L CB -0.603 41.311 42.059 -0.241 0.000 0.910 306 L HN 0.268 nan 8.230 nan 0.000 0.437 307 S N 0.396 116.144 115.700 0.080 0.000 2.356 307 S HA -0.150 4.320 4.470 0.001 0.000 0.223 307 S C 2.046 176.741 174.600 0.159 0.000 1.032 307 S CA 1.205 59.498 58.200 0.155 0.000 1.005 307 S CB -0.201 63.171 63.200 0.287 0.000 0.867 307 S HN 0.277 nan 8.310 nan 0.000 0.449 308 L N 0.256 121.569 121.223 0.150 0.000 2.046 308 L HA 0.029 4.369 4.340 0.001 0.000 0.208 308 L C 1.781 178.776 176.870 0.208 0.000 1.077 308 L CA 1.176 56.107 54.840 0.152 0.000 0.747 308 L CB -0.245 41.892 42.059 0.130 0.000 0.896 308 L HN 0.374 nan 8.230 nan 0.000 0.432 309 M N -0.191 119.578 119.600 0.282 0.000 2.866 309 M HA 0.061 4.542 4.480 0.001 0.000 0.319 309 M C 1.256 177.817 176.300 0.436 0.000 1.244 309 M CA -0.037 55.536 55.300 0.455 0.000 0.974 309 M CB 0.364 33.385 32.600 0.702 0.000 1.291 309 M HN 0.106 nan 8.290 nan 0.000 0.513 310 K N -0.152 120.390 120.400 0.237 0.000 2.442 310 K HA -0.107 4.214 4.320 0.001 0.000 0.198 310 K C 0.597 177.272 176.600 0.126 0.000 1.044 310 K CA 1.129 57.537 56.287 0.200 0.000 0.948 310 K CB -0.106 32.468 32.500 0.124 0.000 0.762 310 K HN 0.492 nan 8.250 nan 0.000 0.472 311 E N -0.057 120.124 120.200 -0.031 0.000 2.479 311 E HA -0.029 4.321 4.350 0.001 0.000 0.193 311 E C -0.019 176.363 176.600 -0.362 0.000 1.049 311 E CA 0.289 56.543 56.400 -0.243 0.000 0.870 311 E CB 0.143 29.595 29.700 -0.413 0.000 0.944 311 E HN 0.443 nan 8.360 nan 0.000 0.492 312 Y N -0.990 119.357 120.300 0.078 0.000 2.682 312 Y HA 0.308 4.859 4.550 0.001 0.000 0.251 312 Y C -0.369 175.304 175.900 -0.379 0.000 1.172 312 Y CA -0.501 57.521 58.100 -0.129 0.000 1.186 312 Y CB 0.426 38.778 38.460 -0.180 0.000 1.216 312 Y HN -0.136 nan 8.280 nan 0.000 0.540 313 F N -0.421 119.624 119.950 0.158 0.000 2.578 313 F HA 0.459 4.986 4.527 0.000 0.000 0.311 313 F C 0.262 176.114 175.800 0.087 0.000 1.094 313 F CA -1.534 56.549 58.000 0.139 0.000 0.923 313 F CB 1.621 40.713 39.000 0.153 0.000 1.230 313 F HN -0.214 nan 8.300 nan 0.000 0.450 314 S N 0.704 116.560 115.700 0.260 0.000 2.617 314 S HA 0.201 4.672 4.470 0.001 0.000 0.269 314 S C 0.565 175.243 174.600 0.131 0.000 1.292 314 S CA -0.659 57.628 58.200 0.146 0.000 1.010 314 S CB 1.141 64.400 63.200 0.098 0.000 0.944 314 S HN 0.618 nan 8.310 nan 0.000 0.536 315 D N 0.928 121.368 120.400 0.066 0.000 2.117 315 D HA -0.141 4.500 4.640 0.001 0.000 0.197 315 D C 1.740 178.042 176.300 0.003 0.000 0.987 315 D CA 1.620 55.635 54.000 0.026 0.000 0.829 315 D CB -0.331 40.466 40.800 -0.005 0.000 0.961 315 D HN 0.893 nan 8.370 nan 0.000 0.460 316 E N 0.772 120.973 120.200 0.002 0.000 2.058 316 E HA -0.220 4.130 4.350 0.001 0.000 0.194 316 E C 1.785 178.352 176.600 -0.054 0.000 0.997 316 E CA 1.195 57.578 56.400 -0.029 0.000 0.801 316 E CB 0.122 29.810 29.700 -0.019 0.000 0.746 316 E HN 0.315 nan 8.360 nan 0.000 0.450 317 E N 0.249 120.454 120.200 0.008 0.000 2.047 317 E HA -0.171 4.179 4.350 0.001 0.000 0.191 317 E C 2.257 178.837 176.600 -0.034 0.000 0.987 317 E CA 1.214 57.611 56.400 -0.005 0.000 0.799 317 E CB -0.107 29.767 29.700 0.289 0.000 0.752 317 E HN 0.377 nan 8.360 nan 0.000 0.449 318 I N 1.330 121.936 120.570 0.060 0.000 2.208 318 I HA -0.317 3.853 4.170 0.001 0.000 0.245 318 I C 2.607 178.687 176.117 -0.061 0.000 1.097 318 I CA 1.230 62.536 61.300 0.011 0.000 1.363 318 I CB -0.249 37.757 38.000 0.010 0.000 1.051 318 I HN 0.053 nan 8.210 nan 0.000 0.413 319 K N 1.484 121.832 120.400 -0.086 0.000 2.097 319 K HA -0.243 4.078 4.320 0.001 0.000 0.206 319 K C 2.237 178.737 176.600 -0.167 0.000 1.049 319 K CA 1.482 57.703 56.287 -0.110 0.000 0.933 319 K CB -0.030 32.410 32.500 -0.100 0.000 0.717 319 K HN 0.151 nan 8.250 nan 0.000 0.442 320 K N -0.416 119.824 120.400 -0.266 0.000 2.057 320 K HA -0.151 4.170 4.320 0.001 0.000 0.206 320 K C 1.416 177.661 176.600 -0.593 0.000 1.050 320 K CA 1.335 57.345 56.287 -0.462 0.000 0.935 320 K CB -0.062 32.050 32.500 -0.646 0.000 0.715 320 K HN 0.170 nan 8.250 nan 0.000 0.439 321 Y N 0.452 120.610 120.300 -0.237 0.000 2.546 321 Y HA -0.010 4.541 4.550 0.001 0.000 0.287 321 Y C 1.921 177.738 175.900 -0.138 0.000 1.158 321 Y CA 1.054 59.019 58.100 -0.226 0.000 1.307 321 Y CB 0.186 38.542 38.460 -0.172 0.000 1.036 321 Y HN 0.229 nan 8.280 nan 0.000 0.532 322 T N -5.182 109.357 114.554 -0.026 0.000 3.054 322 T HA 0.080 4.431 4.350 0.001 0.000 0.255 322 T C 1.049 175.729 174.700 -0.034 0.000 1.035 322 T CA 0.057 62.146 62.100 -0.018 0.000 0.941 322 T CB 0.048 68.894 68.868 -0.036 0.000 1.026 322 T HN -0.037 nan 8.240 nan 0.000 0.533 323 D N 1.506 121.866 120.400 -0.066 0.000 2.178 323 D HA -0.041 4.599 4.640 0.001 0.000 0.202 323 D C 2.104 178.365 176.300 -0.065 0.000 0.974 323 D CA 0.578 54.535 54.000 -0.070 0.000 0.841 323 D CB -0.223 40.526 40.800 -0.085 0.000 0.953 323 D HN 0.312 nan 8.370 nan 0.000 0.478 324 V N 0.626 120.508 119.914 -0.053 0.000 2.759 324 V HA -0.155 3.965 4.120 0.001 0.000 0.256 324 V C 2.006 178.111 176.094 0.018 0.000 1.080 324 V CA 0.904 63.138 62.300 -0.109 0.000 1.101 324 V CB -0.231 31.442 31.823 -0.250 0.000 0.698 324 V HN 0.118 nan 8.190 nan 0.000 0.477 325 I N -0.253 120.362 120.570 0.075 0.000 2.162 325 I HA -0.096 4.074 4.170 0.001 0.000 0.238 325 I C 2.405 178.574 176.117 0.087 0.000 1.076 325 I CA 1.265 62.651 61.300 0.143 0.000 1.353 325 I CB -0.573 37.479 38.000 0.087 0.000 1.063 325 I HN 0.226 nan 8.210 nan 0.000 0.408 326 E N 1.150 121.357 120.200 0.012 0.000 2.448 326 E HA -0.226 4.124 4.350 0.001 0.000 0.203 326 E C 1.767 178.337 176.600 -0.051 0.000 1.046 326 E CA 0.765 57.153 56.400 -0.020 0.000 0.871 326 E CB -0.309 29.364 29.700 -0.044 0.000 0.790 326 E HN 0.395 nan 8.360 nan 0.000 0.545 327 K N 0.161 120.508 120.400 -0.089 0.000 2.029 327 K HA -0.019 4.302 4.320 0.001 0.000 0.205 327 K C 1.805 178.272 176.600 -0.222 0.000 1.042 327 K CA 0.674 56.822 56.287 -0.232 0.000 0.949 327 K CB -0.211 32.035 32.500 -0.424 0.000 0.740 327 K HN 0.061 nan 8.250 nan 0.000 0.442 328 F N 0.785 120.758 119.950 0.038 0.000 2.456 328 F HA 0.007 4.535 4.527 0.001 0.000 0.298 328 F C 1.066 176.922 175.800 0.094 0.000 1.104 328 F CA 0.382 58.439 58.000 0.094 0.000 1.435 328 F CB 0.368 39.484 39.000 0.193 0.000 1.078 328 F HN -0.259 nan 8.300 nan 0.000 0.546 329 V N 2.021 122.066 119.914 0.218 0.000 2.384 329 V HA 0.171 4.292 4.120 0.001 0.000 0.257 329 V C -1.701 174.405 176.094 0.020 0.000 0.969 329 V CA -0.847 61.525 62.300 0.121 0.000 0.910 329 V CB 0.738 32.653 31.823 0.153 0.000 1.150 329 V HN -0.064 nan 8.190 nan 0.000 0.481 330 P HA 0.039 nan 4.420 nan 0.000 0.222 330 P C 0.192 177.460 177.300 -0.053 0.000 1.157 330 P CA 0.774 63.851 63.100 -0.039 0.000 0.816 330 P CB 0.750 32.422 31.700 -0.048 0.000 0.813 331 D N 1.028 121.388 120.400 -0.066 0.000 2.303 331 D HA 0.167 4.808 4.640 0.001 0.000 0.236 331 D C -1.772 174.455 176.300 -0.122 0.000 1.068 331 D CA -2.852 51.109 54.000 -0.065 0.000 0.830 331 D CB 1.309 42.096 40.800 -0.022 0.000 1.109 331 D HN -0.064 nan 8.370 nan 0.000 0.496 332 P HA -0.028 nan 4.420 nan 0.000 0.251 332 P C -0.065 177.120 177.300 -0.192 0.000 1.251 332 P CA 0.690 63.699 63.100 -0.153 0.000 0.763 332 P CB 0.309 31.956 31.700 -0.089 0.000 1.067 333 E N -1.743 118.342 120.200 -0.192 0.000 2.541 333 E HA 0.090 4.440 4.350 0.001 0.000 0.219 333 E C -0.204 176.042 176.600 -0.591 0.000 0.922 333 E CA -0.050 56.168 56.400 -0.303 0.000 1.095 333 E CB 0.320 29.892 29.700 -0.212 0.000 1.112 333 E HN 0.440 nan 8.360 nan 0.000 0.516 334 H N -1.130 117.730 119.070 -0.351 0.000 2.821 334 H HA 0.439 4.995 4.556 0.001 0.000 0.373 334 H C -1.262 173.694 175.328 -0.621 0.000 1.165 334 H CA -0.557 55.243 56.048 -0.414 0.000 1.154 334 H CB 1.244 30.859 29.762 -0.245 0.000 1.765 334 H HN -0.147 nan 8.280 nan 0.000 0.549 335 F N 0.545 120.147 119.950 -0.579 0.000 2.538 335 F HA 0.437 4.965 4.527 0.001 0.000 0.325 335 F C 0.622 176.074 175.800 -0.580 0.000 1.066 335 F CA -0.867 56.735 58.000 -0.663 0.000 0.946 335 F CB 1.455 39.748 39.000 -1.179 0.000 1.199 335 F HN 0.548 nan 8.300 nan 0.000 0.473 336 R N 0.629 121.086 120.500 -0.071 0.000 3.656 336 R HA -0.229 4.112 4.340 0.001 0.000 0.297 336 R C 1.180 177.468 176.300 -0.020 0.000 1.166 336 R CA 0.782 56.844 56.100 -0.062 0.000 0.799 336 R CB -1.156 29.011 30.300 -0.223 0.000 1.285 336 R HN 0.667 nan 8.270 nan 0.000 0.477 337 K N 0.580 120.978 120.400 -0.003 0.000 2.439 337 K HA -0.028 4.292 4.320 0.001 0.000 0.197 337 K C 0.887 177.482 176.600 -0.008 0.000 1.041 337 K CA 1.486 57.753 56.287 -0.033 0.000 0.970 337 K CB 0.244 32.710 32.500 -0.057 0.000 0.773 337 K HN 0.209 nan 8.250 nan 0.000 0.479 338 T N 0.382 114.965 114.554 0.049 0.000 3.107 338 T HA -0.019 4.332 4.350 0.001 0.000 0.249 338 T C 0.695 175.423 174.700 0.047 0.000 1.096 338 T CA 0.581 62.710 62.100 0.049 0.000 1.012 338 T CB 0.226 69.164 68.868 0.115 0.000 0.977 338 T HN 0.437 nan 8.240 nan 0.000 0.527 339 T N 0.094 114.670 114.554 0.037 0.000 2.893 339 T HA 0.279 4.630 4.350 0.001 0.000 0.279 339 T C 0.439 175.142 174.700 0.005 0.000 0.991 339 T CA -0.749 61.367 62.100 0.026 0.000 0.950 339 T CB 1.269 70.152 68.868 0.025 0.000 1.223 339 T HN 0.072 nan 8.240 nan 0.000 0.585 340 D N -0.588 119.815 120.400 0.006 0.000 2.340 340 D HA 0.049 4.689 4.640 0.001 0.000 0.217 340 D C 0.209 176.509 176.300 0.001 0.000 1.081 340 D CA -0.163 53.837 54.000 0.000 0.000 0.842 340 D CB -0.152 40.650 40.800 0.005 0.000 0.934 340 D HN 0.477 nan 8.370 nan 0.000 0.511 341 N N 1.141 119.844 118.700 0.004 0.000 2.726 341 N HA 0.212 4.952 4.740 0.001 0.000 0.253 341 N C -3.060 172.472 175.510 0.036 0.000 1.530 341 N CA -1.186 51.874 53.050 0.016 0.000 0.772 341 N CB 1.446 39.940 38.487 0.012 0.000 1.220 341 N HN -0.142 nan 8.380 nan 0.000 0.508 342 P HA 0.269 nan 4.420 nan 0.000 0.280 342 P C -0.830 176.568 177.300 0.164 0.000 1.244 342 P CA -0.148 62.967 63.100 0.025 0.000 0.784 342 P CB 0.168 31.837 31.700 -0.053 0.000 0.913 343 F N 0.686 120.665 119.950 0.048 0.000 2.522 343 F HA 0.617 5.145 4.527 0.001 0.000 0.324 343 F C 0.034 175.875 175.800 0.069 0.000 1.077 343 F CA -1.798 56.239 58.000 0.062 0.000 0.944 343 F CB 1.388 40.369 39.000 -0.031 0.000 1.175 343 F HN 0.043 nan 8.300 nan 0.000 0.468 344 K N 2.962 123.481 120.400 0.199 0.000 2.379 344 K HA 0.543 4.863 4.320 0.001 0.000 0.284 344 K C -0.261 176.373 176.600 0.056 0.000 1.044 344 K CA -0.277 55.898 56.287 -0.187 0.000 0.974 344 K CB 0.613 33.035 32.500 -0.130 0.000 0.962 344 K HN 0.976 nan 8.250 nan 0.000 0.474 345 A N 5.804 128.540 122.820 -0.140 0.000 2.454 345 A HA 0.338 4.659 4.320 0.001 0.000 0.260 345 A C -0.596 177.053 177.584 0.109 0.000 1.106 345 A CA -0.237 51.854 52.037 0.091 0.000 0.780 345 A CB -0.073 18.855 19.000 -0.119 0.000 1.044 345 A HN 0.740 nan 8.150 nan 0.000 0.498 346 L N 2.585 123.933 121.223 0.208 0.000 2.401 346 L HA 0.620 4.960 4.340 0.001 0.000 0.266 346 L C 1.267 178.216 176.870 0.133 0.000 0.991 346 L CA -0.153 54.762 54.840 0.124 0.000 0.818 346 L CB 1.900 44.010 42.059 0.085 0.000 1.321 346 L HN 1.123 nan 8.230 nan 0.000 0.413 347 G N 1.975 110.830 108.800 0.091 0.000 2.692 347 G HA2 -0.387 3.573 3.960 0.001 0.000 0.339 347 G HA3 -0.387 3.573 3.960 0.001 0.000 0.339 347 G C 0.964 175.940 174.900 0.127 0.000 1.226 347 G CA 0.839 45.994 45.100 0.090 0.000 0.979 347 G HN 0.995 nan 8.290 nan 0.000 0.549 348 G N 1.445 110.335 108.800 0.150 0.000 2.491 348 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 348 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 348 G C 1.529 176.557 174.900 0.214 0.000 1.180 348 G CA 2.156 47.359 45.100 0.172 0.000 0.774 348 G HN 1.375 nan 8.290 nan 0.000 0.562 349 N N 0.584 119.456 118.700 0.286 0.000 2.348 349 N HA -0.061 4.680 4.740 0.001 0.000 0.185 349 N C 1.786 177.536 175.510 0.400 0.000 1.019 349 N CA 0.679 53.965 53.050 0.392 0.000 0.880 349 N CB -0.523 38.300 38.487 0.561 0.000 0.965 349 N HN 0.219 nan 8.380 nan 0.000 0.437 350 L N 0.893 122.279 121.223 0.272 0.000 2.127 350 L HA -0.058 4.282 4.340 0.001 0.000 0.211 350 L C 2.357 179.328 176.870 0.167 0.000 1.089 350 L CA 1.086 56.037 54.840 0.185 0.000 0.757 350 L CB -1.138 40.993 42.059 0.121 0.000 0.899 350 L HN 0.401 nan 8.230 nan 0.000 0.434 351 V N -2.945 117.070 119.914 0.168 0.000 2.427 351 V HA -0.182 3.939 4.120 0.001 0.000 0.248 351 V C 2.102 178.292 176.094 0.161 0.000 1.051 351 V CA 1.709 64.096 62.300 0.145 0.000 1.048 351 V CB -0.524 31.378 31.823 0.130 0.000 0.666 351 V HN 0.291 nan 8.190 nan 0.000 0.456 352 D N -0.113 120.417 120.400 0.215 0.000 2.117 352 D HA -0.152 4.489 4.640 0.001 0.000 0.198 352 D C 2.044 178.488 176.300 0.241 0.000 0.982 352 D CA 1.951 56.085 54.000 0.223 0.000 0.828 352 D CB -0.113 40.840 40.800 0.255 0.000 0.967 352 D HN 0.508 nan 8.370 nan 0.000 0.464 353 M N 0.999 120.780 119.600 0.301 0.000 2.080 353 M HA -0.084 4.396 4.480 0.001 0.000 0.260 353 M C 2.009 178.342 176.300 0.054 0.000 1.068 353 M CA 1.820 57.214 55.300 0.156 0.000 1.109 353 M CB -0.863 31.740 32.600 0.005 0.000 1.342 353 M HN -0.002 nan 8.290 nan 0.000 0.405 354 G N -0.724 108.106 108.800 0.050 0.000 2.422 354 G HA2 -0.207 3.754 3.960 0.001 0.000 0.218 354 G HA3 -0.207 3.754 3.960 0.001 0.000 0.218 354 G C 1.743 176.596 174.900 -0.077 0.000 1.146 354 G CA 0.685 45.778 45.100 -0.012 0.000 0.769 354 G HN 0.484 nan 8.290 nan 0.000 0.547 355 R N -0.447 120.041 120.500 -0.020 0.000 2.152 355 R HA 0.012 4.353 4.340 0.001 0.000 0.232 355 R C 2.429 178.692 176.300 -0.062 0.000 1.117 355 R CA 0.978 57.049 56.100 -0.048 0.000 0.981 355 R CB -0.125 30.236 30.300 0.101 0.000 0.870 355 R HN 0.371 nan 8.270 nan 0.000 0.451 356 V N 0.232 120.138 119.914 -0.013 0.000 2.575 356 V HA -0.071 4.050 4.120 0.001 0.000 0.242 356 V C 1.874 177.945 176.094 -0.038 0.000 1.045 356 V CA 1.310 63.605 62.300 -0.008 0.000 1.065 356 V CB -0.059 31.799 31.823 0.059 0.000 0.717 356 V HN 0.190 nan 8.190 nan 0.000 0.467 357 K N -0.227 120.147 120.400 -0.044 0.000 2.141 357 K HA 0.051 4.371 4.320 0.001 0.000 0.202 357 K C 2.102 178.650 176.600 -0.087 0.000 1.045 357 K CA 0.732 56.984 56.287 -0.057 0.000 0.971 357 K CB -0.175 32.293 32.500 -0.053 0.000 0.795 357 K HN 0.202 nan 8.250 nan 0.000 0.459 358 V N 2.697 122.545 119.914 -0.111 0.000 2.252 358 V HA -0.308 3.812 4.120 0.001 0.000 0.249 358 V C 2.316 178.298 176.094 -0.187 0.000 1.056 358 V CA 1.667 63.884 62.300 -0.138 0.000 1.022 358 V CB -0.441 31.279 31.823 -0.171 0.000 0.641 358 V HN 0.258 nan 8.190 nan 0.000 0.445 359 I N 0.577 120.974 120.570 -0.289 0.000 2.127 359 I HA -0.231 3.940 4.170 0.001 0.000 0.241 359 I C 2.697 178.722 176.117 -0.153 0.000 1.075 359 I CA 2.165 63.272 61.300 -0.321 0.000 1.334 359 I CB -1.821 35.928 38.000 -0.419 0.000 1.040 359 I HN 0.339 nan 8.210 nan 0.000 0.405 360 A N 0.943 123.697 122.820 -0.110 0.000 2.019 360 A HA -0.040 4.281 4.320 0.001 0.000 0.219 360 A C 2.492 180.036 177.584 -0.068 0.000 1.164 360 A CA 1.577 53.571 52.037 -0.072 0.000 0.644 360 A CB -1.243 17.726 19.000 -0.052 0.000 0.805 360 A HN 0.459 nan 8.150 nan 0.000 0.449 361 G N 0.053 108.813 108.800 -0.066 0.000 2.421 361 G HA2 -0.185 3.775 3.960 0.001 0.000 0.216 361 G HA3 -0.185 3.775 3.960 0.001 0.000 0.216 361 G C 1.545 176.430 174.900 -0.025 0.000 1.171 361 G CA 1.102 46.177 45.100 -0.043 0.000 0.775 361 G HN 0.441 nan 8.290 nan 0.000 0.543 362 L N -0.196 121.026 121.223 -0.001 0.000 2.005 362 L HA 0.062 4.402 4.340 0.001 0.000 0.207 362 L C 2.910 179.772 176.870 -0.013 0.000 1.072 362 L CA 0.445 55.335 54.840 0.085 0.000 0.744 362 L CB -0.475 41.633 42.059 0.081 0.000 0.895 362 L HN 0.149 nan 8.230 nan 0.000 0.433 363 L N -0.322 120.881 121.223 -0.034 0.000 2.129 363 L HA -0.248 4.093 4.340 0.001 0.000 0.212 363 L C 2.500 179.312 176.870 -0.097 0.000 1.087 363 L CA 1.460 56.273 54.840 -0.044 0.000 0.757 363 L CB -0.342 41.693 42.059 -0.039 0.000 0.896 363 L HN 0.265 nan 8.230 nan 0.000 0.434 364 R N -0.441 119.984 120.500 -0.125 0.000 2.312 364 R HA 0.067 4.407 4.340 0.001 0.000 0.205 364 R C 0.152 176.290 176.300 -0.271 0.000 0.904 364 R CA -0.108 55.898 56.100 -0.156 0.000 1.052 364 R CB 0.254 30.486 30.300 -0.113 0.000 1.014 364 R HN 0.127 nan 8.270 nan 0.000 0.503 365 K N 1.570 121.702 120.400 -0.447 0.000 3.096 365 K HA -0.167 4.154 4.320 0.001 0.000 0.266 365 K C -0.782 175.546 176.600 -0.453 0.000 1.043 365 K CA 0.791 56.486 56.287 -0.987 0.000 0.758 365 K CB -1.121 30.765 32.500 -1.023 0.000 1.260 365 K HN 0.177 nan 8.250 nan 0.000 0.481 366 D N 0.971 121.260 120.400 -0.185 0.000 2.454 366 D HA 0.128 4.768 4.640 0.001 0.000 0.225 366 D C 0.597 176.922 176.300 0.040 0.000 1.081 366 D CA -0.412 53.553 54.000 -0.059 0.000 0.864 366 D CB 0.851 41.614 40.800 -0.061 0.000 1.040 366 D HN 0.010 nan 8.370 nan 0.000 0.517 367 D N 2.521 122.977 120.400 0.093 0.000 2.144 367 D HA -0.148 4.493 4.640 0.001 0.000 0.199 367 D C 1.606 177.932 176.300 0.043 0.000 0.984 367 D CA 1.033 55.096 54.000 0.106 0.000 0.834 367 D CB 0.479 41.342 40.800 0.105 0.000 0.955 367 D HN 0.622 nan 8.370 nan 0.000 0.465 368 Q N 0.557 120.369 119.800 0.020 0.000 1.993 368 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 368 Q C 2.169 178.166 176.000 -0.005 0.000 0.984 368 Q CA 1.130 56.934 55.803 0.003 0.000 0.837 368 Q CB -0.229 28.505 28.738 -0.006 0.000 0.902 368 Q HN 0.387 nan 8.270 nan 0.000 0.423 369 E N 0.935 121.128 120.200 -0.011 0.000 2.097 369 E HA -0.229 4.121 4.350 0.001 0.000 0.196 369 E C 1.942 178.532 176.600 -0.018 0.000 1.000 369 E CA 1.114 57.501 56.400 -0.022 0.000 0.804 369 E CB -0.130 29.551 29.700 -0.031 0.000 0.740 369 E HN 0.332 nan 8.360 nan 0.000 0.454 370 I N 1.035 121.604 120.570 -0.002 0.000 2.113 370 I HA -0.303 3.867 4.170 0.001 0.000 0.238 370 I C 2.814 178.928 176.117 -0.005 0.000 1.070 370 I CA 1.534 62.834 61.300 0.000 0.000 1.332 370 I CB -0.511 37.509 38.000 0.033 0.000 1.044 370 I HN 0.253 nan 8.210 nan 0.000 0.402 371 S N -0.155 115.545 115.700 0.000 0.000 2.382 371 S HA -0.160 4.310 4.470 0.001 0.000 0.228 371 S C 2.101 176.697 174.600 -0.007 0.000 1.027 371 S CA 1.525 59.722 58.200 -0.005 0.000 0.991 371 S CB -0.571 62.627 63.200 -0.003 0.000 0.823 371 S HN 0.323 nan 8.310 nan 0.000 0.469 372 S N 1.832 117.526 115.700 -0.010 0.000 2.348 372 S HA -0.092 4.378 4.470 0.001 0.000 0.221 372 S C 2.149 176.739 174.600 -0.016 0.000 1.033 372 S CA 1.782 59.974 58.200 -0.014 0.000 1.010 372 S CB -1.069 62.118 63.200 -0.020 0.000 0.891 372 S HN 0.764 nan 8.310 nan 0.000 0.442 373 T N 2.744 117.285 114.554 -0.021 0.000 2.652 373 T HA -0.074 4.276 4.350 0.001 0.000 0.267 373 T C 1.769 176.470 174.700 0.001 0.000 1.039 373 T CA 1.447 63.534 62.100 -0.023 0.000 1.153 373 T CB -0.549 68.299 68.868 -0.033 0.000 0.863 373 T HN 0.292 nan 8.240 nan 0.000 0.428 374 I N 0.757 121.330 120.570 0.006 0.000 2.163 374 I HA -0.220 3.950 4.170 0.001 0.000 0.243 374 I C 2.832 178.972 176.117 0.039 0.000 1.085 374 I CA 1.421 62.737 61.300 0.026 0.000 1.347 374 I CB -0.371 37.633 38.000 0.008 0.000 1.044 374 I HN 0.146 nan 8.210 nan 0.000 0.408 375 R N -0.095 120.417 120.500 0.020 0.000 2.117 375 R HA -0.202 4.139 4.340 0.001 0.000 0.243 375 R C 2.528 178.853 176.300 0.041 0.000 1.143 375 R CA 1.814 57.928 56.100 0.023 0.000 0.968 375 R CB -0.528 29.778 30.300 0.008 0.000 0.863 375 R HN 0.302 nan 8.270 nan 0.000 0.444 376 S N 0.435 116.152 115.700 0.030 0.000 2.371 376 S HA -0.020 4.450 4.470 0.001 0.000 0.224 376 S C 1.881 176.522 174.600 0.067 0.000 1.029 376 S CA 0.587 58.803 58.200 0.026 0.000 0.978 376 S CB 0.021 63.212 63.200 -0.015 0.000 0.833 376 S HN 0.135 nan 8.310 nan 0.000 0.466 377 I N 2.337 122.961 120.570 0.089 0.000 2.657 377 I HA -0.119 4.052 4.170 0.001 0.000 0.261 377 I C 1.983 178.255 176.117 0.259 0.000 1.212 377 I CA 1.251 62.640 61.300 0.149 0.000 1.453 377 I CB -1.290 36.811 38.000 0.168 0.000 1.092 377 I HN 0.495 nan 8.210 nan 0.000 0.452 378 E N 0.402 120.755 120.200 0.255 0.000 2.358 378 E HA -0.162 4.188 4.350 0.001 0.000 0.195 378 E C 1.938 178.722 176.600 0.307 0.000 1.010 378 E CA 0.305 56.930 56.400 0.375 0.000 0.856 378 E CB -0.001 29.812 29.700 0.188 0.000 0.795 378 E HN 0.635 nan 8.360 nan 0.000 0.504 379 Q N 0.755 120.662 119.800 0.179 0.000 2.045 379 Q HA -0.180 4.160 4.340 0.001 0.000 0.206 379 Q C 2.590 178.686 176.000 0.161 0.000 0.991 379 Q CA 2.225 58.108 55.803 0.134 0.000 0.851 379 Q CB -0.760 28.026 28.738 0.080 0.000 0.911 379 Q HN 0.325 nan 8.270 nan 0.000 0.418 380 V N -1.719 118.272 119.914 0.127 0.000 2.636 380 V HA -0.213 3.907 4.120 0.001 0.000 0.258 380 V C 1.247 177.456 176.094 0.191 0.000 1.092 380 V CA 1.421 63.782 62.300 0.101 0.000 1.110 380 V CB -0.942 30.872 31.823 -0.015 0.000 0.685 380 V HN 0.185 nan 8.190 nan 0.000 0.481 381 F N 2.929 123.055 119.950 0.294 0.000 2.818 381 F HA 0.346 4.874 4.527 0.001 0.000 0.303 381 F C 1.027 176.928 175.800 0.168 0.000 1.250 381 F CA -0.106 58.026 58.000 0.220 0.000 1.409 381 F CB -0.642 38.381 39.000 0.037 0.000 1.183 381 F HN 0.455 nan 8.300 nan 0.000 0.534 382 K N -0.866 119.751 120.400 0.362 0.000 2.395 382 K HA 0.752 5.072 4.320 0.001 0.000 0.245 382 K C -1.599 175.185 176.600 0.308 0.000 1.017 382 K CA -1.155 55.280 56.287 0.247 0.000 0.852 382 K CB 1.978 34.571 32.500 0.155 0.000 1.311 382 K HN -0.050 nan 8.250 nan 0.000 0.452 383 L N 1.476 122.811 121.223 0.187 0.000 2.334 383 L HA 0.538 4.879 4.340 0.001 0.000 0.273 383 L C -0.762 176.109 176.870 0.002 0.000 1.013 383 L CA -0.601 54.338 54.840 0.166 0.000 0.816 383 L CB 2.004 44.129 42.059 0.111 0.000 1.278 383 L HN 0.694 nan 8.230 nan 0.000 0.431 384 V N -0.279 119.529 119.914 -0.177 0.000 3.158 384 V HA 0.765 4.885 4.120 0.001 0.000 0.315 384 V C -0.765 175.022 176.094 -0.512 0.000 1.148 384 V CA -0.394 61.710 62.300 -0.326 0.000 1.042 384 V CB 2.087 33.671 31.823 -0.400 0.000 1.101 384 V HN 0.825 nan 8.190 nan 0.000 0.448 385 D N -0.738 119.476 120.400 -0.309 0.000 2.582 385 D HA 0.297 4.938 4.640 0.001 0.000 0.246 385 D C 0.035 176.429 176.300 0.157 0.000 1.334 385 D CA 0.084 54.057 54.000 -0.044 0.000 0.805 385 D CB 0.422 41.256 40.800 0.056 0.000 1.087 385 D HN 0.810 nan 8.370 nan 0.000 0.499 386 Q N -0.102 119.703 119.800 0.008 0.000 2.574 386 Q HA 0.440 4.780 4.340 0.001 0.000 0.265 386 Q C -0.197 175.841 176.000 0.063 0.000 0.975 386 Q CA -0.038 55.852 55.803 0.145 0.000 0.923 386 Q CB 1.417 30.201 28.738 0.077 0.000 1.518 386 Q HN 0.258 nan 8.270 nan 0.000 0.401 387 G N 1.965 110.837 108.800 0.120 0.000 2.698 387 G HA2 -0.247 3.713 3.960 0.001 0.000 0.233 387 G HA3 -0.247 3.713 3.960 0.001 0.000 0.233 387 G C -0.819 174.077 174.900 -0.007 0.000 1.352 387 G CA -0.017 45.101 45.100 0.032 0.000 0.879 387 G HN 0.702 nan 8.290 nan 0.000 0.567 388 E N 0.372 120.508 120.200 -0.106 0.000 2.418 388 E HA 0.456 4.807 4.350 0.001 0.000 0.261 388 E C 0.735 177.135 176.600 -0.332 0.000 1.070 388 E CA 0.445 56.695 56.400 -0.250 0.000 0.931 388 E CB 0.672 30.229 29.700 -0.239 0.000 0.954 388 E HN 2.135 nan 8.360 nan 0.000 0.439 389 G N 0.648 109.072 108.800 -0.628 0.000 2.381 389 G HA2 -0.063 3.898 3.960 0.001 0.000 0.672 389 G HA3 -0.063 3.898 3.960 0.001 0.000 0.672 389 G C -1.235 173.381 174.900 -0.474 0.000 1.324 389 G CA -1.170 43.612 45.100 -0.531 0.000 0.975 389 G HN 0.278 nan 8.290 nan 0.000 0.593 390 F N 0.066 119.979 119.950 -0.063 0.000 2.399 390 F HA 0.696 5.223 4.527 0.001 0.000 0.342 390 F C 0.640 176.471 175.800 0.052 0.000 1.106 390 F CA 0.087 58.151 58.000 0.106 0.000 1.196 390 F CB 0.907 39.895 39.000 -0.019 0.000 1.163 390 F HN 0.448 nan 8.300 nan 0.000 0.547 391 Y N 0.367 120.852 120.300 0.308 0.000 2.602 391 Y HA 0.219 4.769 4.550 0.001 0.000 0.330 391 Y C 1.306 177.368 175.900 0.270 0.000 1.114 391 Y CA -0.743 57.491 58.100 0.224 0.000 1.182 391 Y CB 0.987 39.535 38.460 0.146 0.000 1.305 391 Y HN 0.554 nan 8.280 nan 0.000 0.502 392 Q N 0.306 120.323 119.800 0.361 0.000 2.167 392 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 392 Q C 0.837 177.046 176.000 0.348 0.000 0.970 392 Q CA 1.720 57.694 55.803 0.284 0.000 0.855 392 Q CB 0.036 28.872 28.738 0.165 0.000 0.911 392 Q HN 0.828 nan 8.270 nan 0.000 0.438 393 D N -2.160 118.428 120.400 0.314 0.000 2.349 393 D HA 0.030 4.670 4.640 0.001 0.000 0.224 393 D C 1.036 177.543 176.300 0.346 0.000 1.029 393 D CA 0.907 55.054 54.000 0.244 0.000 0.879 393 D CB 0.120 41.007 40.800 0.145 0.000 0.906 393 D HN 0.325 nan 8.370 nan 0.000 0.528 394 G N -0.739 108.317 108.800 0.427 0.000 2.213 394 G HA2 -0.279 3.681 3.960 0.001 0.000 0.236 394 G HA3 -0.279 3.681 3.960 0.001 0.000 0.236 394 G C 0.529 175.619 174.900 0.316 0.000 0.991 394 G CA 0.179 45.543 45.100 0.439 0.000 0.629 394 G HN 0.444 nan 8.290 nan 0.000 0.517 395 S N -0.558 115.321 115.700 0.298 0.000 2.587 395 S HA 0.515 4.985 4.470 0.001 0.000 0.260 395 S C -0.375 174.323 174.600 0.162 0.000 1.353 395 S CA 0.616 58.827 58.200 0.018 0.000 0.995 395 S CB 1.155 64.297 63.200 -0.097 0.000 0.912 395 S HN 1.025 nan 8.310 nan 0.000 0.568 396 Y N 0.675 120.879 120.300 -0.159 0.000 2.401 396 Y HA 0.528 5.078 4.550 0.001 0.000 0.330 396 Y C -1.619 174.169 175.900 -0.188 0.000 1.071 396 Y CA -0.848 57.112 58.100 -0.234 0.000 1.049 396 Y CB 0.683 38.780 38.460 -0.604 0.000 1.239 396 Y HN 0.417 nan 8.280 nan 0.000 0.437 397 I N 5.823 126.029 120.570 -0.607 0.000 2.474 397 I HA 0.417 4.587 4.170 0.001 0.000 0.294 397 I C -0.679 175.065 176.117 -0.622 0.000 1.005 397 I CA -0.411 60.644 61.300 -0.409 0.000 1.113 397 I CB 1.745 39.660 38.000 -0.143 0.000 1.289 397 I HN 0.724 nan 8.210 nan 0.000 0.436 398 D N 3.120 123.335 120.400 -0.308 0.000 2.592 398 D HA 0.334 4.975 4.640 0.001 0.000 0.263 398 D C -0.281 175.951 176.300 -0.114 0.000 1.132 398 D CA -0.250 53.564 54.000 -0.310 0.000 0.996 398 D CB 1.607 42.173 40.800 -0.390 0.000 1.442 398 D HN 0.641 nan 8.370 nan 0.000 0.486 399 H N 0.447 119.345 119.070 -0.287 0.000 2.692 399 H HA -0.233 4.323 4.556 0.001 0.000 0.316 399 H C 0.424 175.674 175.328 -0.129 0.000 1.176 399 H CA 0.554 56.471 56.048 -0.219 0.000 1.142 399 H CB -0.966 28.686 29.762 -0.184 0.000 1.475 399 H HN 0.550 nan 8.280 nan 0.000 0.423 400 T N -1.322 113.220 114.554 -0.020 0.000 13.633 400 T HA -0.306 4.045 4.350 0.001 0.000 0.418 400 T C 0.781 175.470 174.700 -0.018 0.000 1.445 400 T CA 1.720 63.804 62.100 -0.027 0.000 2.355 400 T CB -0.993 67.860 68.868 -0.024 0.000 2.781 400 T HN 0.685 nan 8.240 nan 0.000 0.495 401 N N 1.165 119.864 118.700 -0.002 0.000 2.547 401 N HA 0.457 5.198 4.740 0.001 0.000 0.285 401 N C -1.034 174.472 175.510 -0.006 0.000 1.600 401 N CA -0.213 52.837 53.050 -0.001 0.000 0.872 401 N CB 0.317 38.817 38.487 0.023 0.000 1.412 401 N HN 0.536 nan 8.380 nan 0.000 0.489 402 V N 0.465 120.370 119.914 -0.015 0.000 2.513 402 V HA 0.795 4.915 4.120 0.001 0.000 0.299 402 V C 0.349 176.383 176.094 -0.100 0.000 1.035 402 V CA -1.217 61.047 62.300 -0.061 0.000 0.889 402 V CB 1.511 33.307 31.823 -0.046 0.000 0.988 402 V HN 0.449 nan 8.190 nan 0.000 0.440 403 A N 3.550 126.270 122.820 -0.167 0.000 2.451 403 A HA 0.509 4.829 4.320 0.001 0.000 0.266 403 A C -0.445 177.011 177.584 -0.214 0.000 1.119 403 A CA 0.336 52.276 52.037 -0.161 0.000 0.786 403 A CB -0.304 18.599 19.000 -0.163 0.000 1.061 403 A HN 0.838 nan 8.150 nan 0.000 0.503 404 Y N 1.558 121.839 120.300 -0.032 0.000 2.830 404 Y HA 0.097 4.647 4.550 0.001 0.000 0.255 404 Y C 1.927 177.834 175.900 0.012 0.000 1.130 404 Y CA 0.199 58.316 58.100 0.028 0.000 1.217 404 Y CB -0.046 38.461 38.460 0.079 0.000 1.296 404 Y HN 0.739 nan 8.280 nan 0.000 0.571 405 T N -1.305 113.282 114.554 0.055 0.000 2.685 405 T HA -0.243 4.108 4.350 0.001 0.000 0.268 405 T C 2.097 176.738 174.700 -0.098 0.000 1.034 405 T CA 1.874 63.835 62.100 -0.232 0.000 1.149 405 T CB -0.447 68.184 68.868 -0.396 0.000 0.860 405 T HN 0.577 nan 8.240 nan 0.000 0.449 406 G N -0.388 108.401 108.800 -0.018 0.000 2.956 406 G HA2 0.384 4.345 3.960 0.001 0.000 0.207 406 G HA3 0.384 4.345 3.960 0.001 0.000 0.207 406 G C 0.893 175.819 174.900 0.045 0.000 1.162 406 G CA 0.704 45.819 45.100 0.026 0.000 0.796 406 G HN 0.645 nan 8.290 nan 0.000 0.527 407 A N -0.737 122.122 122.820 0.064 0.000 1.749 407 A HA 0.391 4.711 4.320 0.001 0.000 0.187 407 A C 1.532 178.938 177.584 -0.297 0.000 1.742 407 A CA 0.076 52.055 52.037 -0.097 0.000 1.133 407 A CB -0.370 18.611 19.000 -0.031 0.000 0.996 407 A HN 0.082 nan 8.150 nan 0.000 0.585 408 Y N 1.364 121.489 120.300 -0.292 0.000 2.373 408 Y HA 0.067 4.617 4.550 0.001 0.000 0.293 408 Y C 2.630 178.345 175.900 -0.309 0.000 1.129 408 Y CA 1.292 59.206 58.100 -0.310 0.000 1.226 408 Y CB -0.242 37.969 38.460 -0.416 0.000 1.000 408 Y HN 0.411 nan 8.280 nan 0.000 0.549 409 G N -0.152 108.451 108.800 -0.329 0.000 2.408 409 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 409 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 409 G C 1.459 176.336 174.900 -0.038 0.000 1.150 409 G CA 1.078 45.788 45.100 -0.649 0.000 0.776 409 G HN 0.302 nan 8.290 nan 0.000 0.542 410 N N 0.591 119.290 118.700 -0.002 0.000 2.007 410 N HA -0.140 4.601 4.740 0.001 0.000 0.197 410 N C 2.236 177.693 175.510 -0.088 0.000 1.050 410 N CA 1.575 54.605 53.050 -0.033 0.000 0.856 410 N CB -0.796 37.648 38.487 -0.071 0.000 1.050 410 N HN 0.124 nan 8.380 nan 0.000 0.423 411 V N 0.903 120.749 119.914 -0.113 0.000 2.660 411 V HA -0.166 3.954 4.120 0.001 0.000 0.257 411 V C 2.130 178.208 176.094 -0.027 0.000 1.088 411 V CA 1.063 63.314 62.300 -0.082 0.000 1.106 411 V CB -0.589 31.167 31.823 -0.112 0.000 0.686 411 V HN 0.291 nan 8.190 nan 0.000 0.481 412 L N -0.986 120.220 121.223 -0.028 0.000 2.131 412 L HA 0.047 4.387 4.340 0.001 0.000 0.206 412 L C 2.093 178.985 176.870 0.037 0.000 1.087 412 L CA 1.371 56.217 54.840 0.009 0.000 0.767 412 L CB 0.052 42.095 42.059 -0.027 0.000 0.917 412 L HN 0.268 nan 8.230 nan 0.000 0.441 413 I N -1.230 119.338 120.570 -0.003 0.000 3.035 413 I HA -0.148 4.022 4.170 0.001 0.000 0.271 413 I C 1.776 177.854 176.117 -0.066 0.000 1.190 413 I CA 0.907 62.185 61.300 -0.038 0.000 1.472 413 I CB 0.207 38.035 38.000 -0.286 0.000 1.116 413 I HN 0.303 nan 8.210 nan 0.000 0.443 414 D N 0.347 120.696 120.400 -0.084 0.000 2.120 414 D HA -0.098 4.543 4.640 0.001 0.000 0.202 414 D C 2.110 178.409 176.300 -0.002 0.000 0.972 414 D CA 1.594 55.557 54.000 -0.061 0.000 0.837 414 D CB -0.186 40.568 40.800 -0.077 0.000 0.989 414 D HN 0.301 nan 8.370 nan 0.000 0.469 415 G N 0.089 108.902 108.800 0.021 0.000 2.403 415 G HA2 -0.154 3.807 3.960 0.001 0.000 0.216 415 G HA3 -0.154 3.807 3.960 0.001 0.000 0.216 415 G C 1.525 176.488 174.900 0.105 0.000 1.154 415 G CA 0.595 45.737 45.100 0.070 0.000 0.784 415 G HN 0.327 nan 8.290 nan 0.000 0.538 416 L N 1.873 123.156 121.223 0.099 0.000 2.156 416 L HA 0.028 4.369 4.340 0.001 0.000 0.208 416 L C 3.024 179.977 176.870 0.138 0.000 1.095 416 L CA 2.063 56.984 54.840 0.135 0.000 0.770 416 L CB -0.296 41.852 42.059 0.148 0.000 0.914 416 L HN 0.317 nan 8.230 nan 0.000 0.439 417 S N -1.994 113.765 115.700 0.098 0.000 2.474 417 S HA -0.208 4.263 4.470 0.001 0.000 0.235 417 S C 1.896 176.551 174.600 0.092 0.000 0.997 417 S CA 0.940 59.188 58.200 0.081 0.000 0.949 417 S CB -0.447 62.775 63.200 0.036 0.000 0.766 417 S HN 0.640 nan 8.310 nan 0.000 0.517 418 Q N 0.287 120.158 119.800 0.117 0.000 2.187 418 Q HA 0.184 4.525 4.340 0.001 0.000 0.199 418 Q C 1.927 178.105 176.000 0.297 0.000 0.957 418 Q CA 0.939 56.841 55.803 0.166 0.000 0.857 418 Q CB -0.080 28.762 28.738 0.173 0.000 0.929 418 Q HN 0.621 nan 8.270 nan 0.000 0.453 419 L N -0.196 121.174 121.223 0.245 0.000 2.249 419 L HA -0.049 4.291 4.340 0.001 0.000 0.207 419 L C 2.140 179.099 176.870 0.149 0.000 1.090 419 L CA 0.177 55.139 54.840 0.204 0.000 0.802 419 L CB -0.221 41.910 42.059 0.121 0.000 0.947 419 L HN 0.208 nan 8.230 nan 0.000 0.453 420 L N 0.453 121.758 121.223 0.136 0.000 2.021 420 L HA -0.216 4.125 4.340 0.001 0.000 0.215 420 L C -0.300 176.618 176.870 0.080 0.000 1.074 420 L CA 1.775 56.674 54.840 0.098 0.000 0.760 420 L CB -1.834 40.279 42.059 0.091 0.000 0.889 420 L HN 0.232 nan 8.230 nan 0.000 0.433 421 P HA -0.100 nan 4.420 nan 0.000 0.228 421 P C 1.551 178.908 177.300 0.095 0.000 1.151 421 P CA 0.859 64.012 63.100 0.088 0.000 0.770 421 P CB 0.174 31.932 31.700 0.096 0.000 0.786 422 V N -1.276 118.705 119.914 0.111 0.000 2.391 422 V HA -0.115 4.006 4.120 0.001 0.000 0.237 422 V C 2.144 178.258 176.094 0.033 0.000 1.046 422 V CA 0.941 63.292 62.300 0.086 0.000 1.053 422 V CB -1.028 30.845 31.823 0.084 0.000 0.704 422 V HN -0.074 nan 8.190 nan 0.000 0.475 423 I N 0.571 121.156 120.570 0.024 0.000 2.091 423 I HA -0.312 3.858 4.170 0.001 0.000 0.240 423 I C 2.601 178.714 176.117 -0.007 0.000 1.046 423 I CA 1.726 63.028 61.300 0.004 0.000 1.306 423 I CB -0.772 37.237 38.000 0.016 0.000 1.018 423 I HN 0.317 nan 8.210 nan 0.000 0.404 424 Q N 0.400 120.200 119.800 -0.000 0.000 2.308 424 Q HA -0.177 4.164 4.340 0.001 0.000 0.209 424 Q C 1.646 177.639 176.000 -0.011 0.000 0.985 424 Q CA 1.321 57.116 55.803 -0.013 0.000 0.881 424 Q CB -0.382 28.355 28.738 -0.003 0.000 0.917 424 Q HN 0.594 nan 8.270 nan 0.000 0.443 425 K N 0.719 121.118 120.400 -0.003 0.000 2.399 425 K HA 0.096 4.417 4.320 0.001 0.000 0.204 425 K C 0.714 177.298 176.600 -0.028 0.000 1.023 425 K CA 0.077 56.359 56.287 -0.009 0.000 1.127 425 K CB 0.748 33.252 32.500 0.007 0.000 0.856 425 K HN 0.224 nan 8.250 nan 0.000 0.514 426 T N -2.119 112.415 114.554 -0.033 0.000 2.849 426 T HA 0.232 4.582 4.350 0.001 0.000 0.276 426 T C 1.137 175.803 174.700 -0.056 0.000 0.971 426 T CA -0.629 61.440 62.100 -0.053 0.000 0.949 426 T CB 1.446 70.288 68.868 -0.043 0.000 1.093 426 T HN -0.135 nan 8.240 nan 0.000 0.545 427 K N 0.176 120.536 120.400 -0.066 0.000 2.217 427 K HA 0.020 4.340 4.320 0.001 0.000 0.202 427 K C 0.291 176.866 176.600 -0.042 0.000 1.051 427 K CA 0.950 57.204 56.287 -0.056 0.000 0.952 427 K CB -0.222 32.242 32.500 -0.059 0.000 0.736 427 K HN 0.567 nan 8.250 nan 0.000 0.453 428 N N 1.682 120.359 118.700 -0.038 0.000 3.025 428 N HA 0.097 4.838 4.740 0.001 0.000 0.315 428 N C -2.534 172.952 175.510 -0.040 0.000 1.511 428 N CA -1.139 51.891 53.050 -0.034 0.000 1.097 428 N CB 0.611 39.083 38.487 -0.025 0.000 1.395 428 N HN 0.129 nan 8.380 nan 0.000 0.511 429 P HA 0.018 nan 4.420 nan 0.000 0.285 429 P C 0.035 177.286 177.300 -0.082 0.000 1.282 429 P CA -0.362 62.705 63.100 -0.056 0.000 0.778 429 P CB 1.362 33.031 31.700 -0.052 0.000 1.222 430 I N -0.315 120.183 120.570 -0.120 0.000 2.577 430 I HA 0.164 4.334 4.170 0.001 0.000 0.300 430 I C 0.437 176.443 176.117 -0.185 0.000 0.990 430 I CA -0.618 60.562 61.300 -0.199 0.000 1.283 430 I CB 1.002 38.798 38.000 -0.340 0.000 1.411 430 I HN 0.238 nan 8.210 nan 0.000 0.515 431 D N 5.437 125.714 120.400 -0.206 0.000 2.351 431 D HA 0.011 4.652 4.640 0.001 0.000 0.251 431 D C 0.740 176.935 176.300 -0.175 0.000 1.137 431 D CA 0.068 53.976 54.000 -0.153 0.000 0.879 431 D CB 1.495 42.223 40.800 -0.121 0.000 1.181 431 D HN 0.501 nan 8.370 nan 0.000 0.448 432 K N 2.855 123.187 120.400 -0.113 0.000 2.286 432 K HA -0.172 4.148 4.320 0.001 0.000 0.203 432 K C 0.757 177.307 176.600 -0.084 0.000 1.045 432 K CA 1.271 57.508 56.287 -0.082 0.000 0.935 432 K CB 0.290 32.767 32.500 -0.038 0.000 0.737 432 K HN 0.416 nan 8.250 nan 0.000 0.460 433 D N 0.422 120.765 120.400 -0.095 0.000 2.149 433 D HA -0.096 4.544 4.640 0.001 0.000 0.201 433 D C 1.507 177.733 176.300 -0.124 0.000 0.972 433 D CA 1.036 54.987 54.000 -0.081 0.000 0.835 433 D CB 0.140 40.904 40.800 -0.061 0.000 0.966 433 D HN 0.303 nan 8.370 nan 0.000 0.476 434 K N 0.103 120.386 120.400 -0.195 0.000 2.155 434 K HA 0.034 4.355 4.320 0.001 0.000 0.203 434 K C 2.064 178.444 176.600 -0.367 0.000 1.052 434 K CA 0.472 56.605 56.287 -0.258 0.000 0.948 434 K CB 0.085 32.322 32.500 -0.438 0.000 0.728 434 K HN 0.070 nan 8.250 nan 0.000 0.448 435 M N 1.029 120.387 119.600 -0.403 0.000 2.175 435 M HA -0.104 4.376 4.480 0.001 0.000 0.264 435 M C 1.927 177.904 176.300 -0.540 0.000 1.063 435 M CA 1.470 56.484 55.300 -0.477 0.000 1.119 435 M CB -0.614 31.794 32.600 -0.320 0.000 1.377 435 M HN 0.101 nan 8.290 nan 0.000 0.415 436 Q N -0.571 119.122 119.800 -0.177 0.000 2.291 436 Q HA -0.089 4.251 4.340 0.001 0.000 0.206 436 Q C 1.933 177.875 176.000 -0.098 0.000 0.976 436 Q CA 1.444 57.288 55.803 0.067 0.000 0.875 436 Q CB -0.735 28.052 28.738 0.082 0.000 0.927 436 Q HN 0.507 nan 8.270 nan 0.000 0.450 437 T N 0.922 115.303 114.554 -0.288 0.000 2.812 437 T HA -0.017 4.333 4.350 0.001 0.000 0.264 437 T C 1.909 176.040 174.700 -0.949 0.000 1.042 437 T CA 0.600 62.432 62.100 -0.446 0.000 1.140 437 T CB -0.061 68.574 68.868 -0.388 0.000 0.870 437 T HN 0.196 nan 8.240 nan 0.000 0.445 438 M N 0.163 119.126 119.600 -1.061 0.000 2.082 438 M HA -0.161 4.319 4.480 0.001 0.000 0.258 438 M C 2.068 178.066 176.300 -0.503 0.000 1.069 438 M CA 1.882 56.526 55.300 -1.093 0.000 1.102 438 M CB -0.490 31.713 32.600 -0.662 0.000 1.336 438 M HN 0.315 nan 8.290 nan 0.000 0.404 439 Y N -1.231 118.947 120.300 -0.205 0.000 2.224 439 Y HA -0.270 4.281 4.550 0.001 0.000 0.289 439 Y C 2.561 178.440 175.900 -0.036 0.000 1.146 439 Y CA 1.321 59.378 58.100 -0.073 0.000 1.182 439 Y CB -1.389 37.038 38.460 -0.054 0.000 0.983 439 Y HN 0.387 nan 8.280 nan 0.000 0.524 440 H N -0.927 118.131 119.070 -0.020 0.000 2.421 440 H HA -0.195 4.361 4.556 0.001 0.000 0.298 440 H C 1.557 176.956 175.328 0.119 0.000 1.087 440 H CA 1.813 57.876 56.048 0.025 0.000 1.330 440 H CB -0.141 29.608 29.762 -0.021 0.000 1.388 440 H HN 0.315 nan 8.280 nan 0.000 0.526 441 W N 1.037 122.337 121.300 0.000 0.000 2.379 441 W HA -0.100 4.560 4.660 0.001 0.000 0.307 441 W C 2.650 179.204 176.519 0.059 0.000 1.200 441 W CA 0.224 57.474 57.345 -0.158 0.000 1.297 441 W CB -1.173 28.009 29.460 -0.464 0.000 1.140 441 W HN 0.171 nan 8.180 nan 0.000 0.507 442 I N 0.408 121.220 120.570 0.404 0.000 2.163 442 I HA -0.314 3.856 4.170 0.001 0.000 0.243 442 I C 1.970 178.205 176.117 0.197 0.000 1.085 442 I CA 1.786 63.302 61.300 0.359 0.000 1.347 442 I CB -0.643 37.488 38.000 0.218 0.000 1.044 442 I HN -0.107 nan 8.210 nan 0.000 0.408 443 D N 0.499 120.946 120.400 0.079 0.000 2.234 443 D HA -0.079 4.561 4.640 0.001 0.000 0.205 443 D C 2.003 178.259 176.300 -0.072 0.000 0.962 443 D CA 0.903 54.889 54.000 -0.024 0.000 0.855 443 D CB 0.040 40.798 40.800 -0.069 0.000 0.951 443 D HN 0.327 nan 8.370 nan 0.000 0.500 444 K N -0.079 120.274 120.400 -0.078 0.000 2.335 444 K HA 0.226 4.547 4.320 0.001 0.000 0.195 444 K C 1.914 178.595 176.600 0.136 0.000 1.058 444 K CA 0.170 56.435 56.287 -0.036 0.000 0.988 444 K CB 0.598 32.993 32.500 -0.175 0.000 0.880 444 K HN -0.097 nan 8.250 nan 0.000 0.513 445 S N 0.324 116.055 115.700 0.052 0.000 2.444 445 S HA 0.171 4.642 4.470 0.001 0.000 0.223 445 S C 1.652 176.068 174.600 -0.306 0.000 1.054 445 S CA 0.300 58.412 58.200 -0.148 0.000 0.947 445 S CB -0.095 62.889 63.200 -0.360 0.000 0.850 445 S HN 0.085 nan 8.310 nan 0.000 0.527 446 F N 2.190 122.161 119.950 0.034 0.000 2.123 446 F HA 0.274 4.802 4.527 0.001 0.000 0.289 446 F C 2.647 178.423 175.800 -0.041 0.000 1.099 446 F CA 0.574 58.566 58.000 -0.014 0.000 1.234 446 F CB -1.204 37.789 39.000 -0.011 0.000 1.034 446 F HN 0.145 nan 8.300 nan 0.000 0.479 447 A N 1.428 124.332 122.820 0.139 0.000 1.894 447 A HA -0.239 4.081 4.320 0.001 0.000 0.220 447 A C -0.080 177.431 177.584 -0.122 0.000 1.237 447 A CA 2.467 54.493 52.037 -0.019 0.000 0.660 447 A CB -2.420 16.529 19.000 -0.084 0.000 0.835 447 A HN 0.302 nan 8.150 nan 0.000 0.461 448 P HA -0.095 nan 4.420 nan 0.000 0.223 448 P C 1.044 178.401 177.300 0.096 0.000 1.144 448 P CA 0.936 63.893 63.100 -0.238 0.000 0.783 448 P CB -0.165 31.444 31.700 -0.151 0.000 0.771 449 L N -1.492 119.765 121.223 0.056 0.000 2.592 449 L HA 0.153 4.494 4.340 0.001 0.000 0.227 449 L C 1.111 177.935 176.870 -0.076 0.000 1.127 449 L CA -0.023 54.817 54.840 0.000 0.000 0.884 449 L CB -0.206 41.824 42.059 -0.048 0.000 1.065 449 L HN -0.099 nan 8.230 nan 0.000 0.457 450 L N 0.937 122.126 121.223 -0.057 0.000 2.262 450 L HA 0.393 4.733 4.340 0.001 0.000 0.288 450 L C -0.837 175.940 176.870 -0.156 0.000 1.035 450 L CA -0.396 54.380 54.840 -0.107 0.000 0.820 450 L CB 1.661 43.683 42.059 -0.063 0.000 1.204 450 L HN -0.223 nan 8.230 nan 0.000 0.424 451 V N 3.458 123.225 119.914 -0.246 0.000 2.443 451 V HA 0.311 4.431 4.120 0.001 0.000 0.293 451 V C 0.022 176.037 176.094 -0.131 0.000 1.021 451 V CA -0.849 61.293 62.300 -0.262 0.000 0.848 451 V CB 1.431 33.040 31.823 -0.358 0.000 0.998 451 V HN 0.855 nan 8.190 nan 0.000 0.424 452 N N 3.998 122.667 118.700 -0.051 0.000 2.725 452 N HA -0.213 4.528 4.740 0.001 0.000 0.251 452 N C 1.208 176.817 175.510 0.166 0.000 1.031 452 N CA 1.396 54.503 53.050 0.096 0.000 0.720 452 N CB -0.856 37.752 38.487 0.202 0.000 0.930 452 N HN 1.587 nan 8.380 nan 0.000 0.543 453 G N -0.540 108.303 108.800 0.073 0.000 2.184 453 G HA2 -0.349 3.612 3.960 0.001 0.000 0.264 453 G HA3 -0.349 3.612 3.960 0.001 0.000 0.264 453 G C -0.150 174.712 174.900 -0.063 0.000 0.975 453 G CA 0.892 46.069 45.100 0.128 0.000 0.642 453 G HN 0.711 nan 8.290 nan 0.000 0.536 454 E N -0.378 119.654 120.200 -0.280 0.000 2.183 454 E HA 0.640 4.991 4.350 0.001 0.000 0.271 454 E C -0.556 175.879 176.600 -0.275 0.000 0.919 454 E CA -1.132 54.975 56.400 -0.489 0.000 0.781 454 E CB 0.996 30.354 29.700 -0.571 0.000 1.140 454 E HN 0.188 nan 8.360 nan 0.000 0.402 455 L N 5.222 126.327 121.223 -0.197 0.000 2.264 455 L HA 0.356 4.697 4.340 0.001 0.000 0.289 455 L C -0.454 176.330 176.870 -0.144 0.000 1.044 455 L CA -0.060 54.699 54.840 -0.135 0.000 0.807 455 L CB 0.842 42.860 42.059 -0.067 0.000 1.192 455 L HN 0.760 nan 8.230 nan 0.000 0.425 456 M N 4.350 123.822 119.600 -0.214 0.000 2.284 456 M HA -0.036 4.445 4.480 0.001 0.000 0.351 456 M C 0.903 177.087 176.300 -0.194 0.000 1.443 456 M CA 0.111 55.275 55.300 -0.228 0.000 1.031 456 M CB 0.218 32.641 32.600 -0.296 0.000 1.893 456 M HN 0.587 nan 8.290 nan 0.000 0.456 457 D N 3.217 123.509 120.400 -0.180 0.000 2.149 457 D HA -0.186 4.454 4.640 0.001 0.000 0.198 457 D C 1.869 178.046 176.300 -0.205 0.000 0.990 457 D CA 1.649 55.586 54.000 -0.104 0.000 0.839 457 D CB -0.169 40.743 40.800 0.187 0.000 0.948 457 D HN 0.745 nan 8.370 nan 0.000 0.460 458 M N 0.143 119.497 119.600 -0.411 0.000 2.521 458 M HA -0.103 4.377 4.480 0.001 0.000 0.260 458 M C 1.628 177.796 176.300 -0.220 0.000 1.068 458 M CA 1.715 56.845 55.300 -0.283 0.000 1.060 458 M CB -0.216 32.177 32.600 -0.346 0.000 1.398 458 M HN -0.061 nan 8.290 nan 0.000 0.473 459 S N -0.267 115.305 115.700 -0.214 0.000 2.539 459 S HA 0.236 4.707 4.470 0.001 0.000 0.221 459 S C 1.522 176.048 174.600 -0.123 0.000 0.987 459 S CA -0.719 57.367 58.200 -0.190 0.000 0.929 459 S CB 0.015 63.096 63.200 -0.197 0.000 0.832 459 S HN 0.658 nan 8.310 nan 0.000 0.492 460 R N 1.338 121.770 120.500 -0.114 0.000 2.317 460 R HA 0.345 4.686 4.340 0.001 0.000 0.208 460 R C 1.640 177.934 176.300 -0.009 0.000 0.914 460 R CA 0.305 56.392 56.100 -0.021 0.000 1.060 460 R CB -0.345 29.935 30.300 -0.034 0.000 1.015 460 R HN 0.492 nan 8.270 nan 0.000 0.498 461 G N 2.966 111.601 108.800 -0.274 0.000 2.594 461 G HA2 -0.447 3.513 3.960 0.001 0.000 0.297 461 G HA3 -0.447 3.513 3.960 0.001 0.000 0.297 461 G C 0.655 175.480 174.900 -0.124 0.000 1.273 461 G CA 0.730 45.605 45.100 -0.376 0.000 0.974 461 G HN 0.532 nan 8.290 nan 0.000 0.552 462 R N -0.077 120.441 120.500 0.029 0.000 2.341 462 R HA 0.180 4.520 4.340 0.001 0.000 0.213 462 R C 2.251 178.536 176.300 -0.025 0.000 1.082 462 R CA 1.866 57.966 56.100 -0.001 0.000 1.017 462 R CB -0.360 29.982 30.300 0.070 0.000 0.860 462 R HN 0.272 nan 8.270 nan 0.000 0.473 463 S N 1.648 117.347 115.700 -0.003 0.000 2.474 463 S HA -0.008 4.463 4.470 0.001 0.000 0.235 463 S C 1.827 176.387 174.600 -0.066 0.000 0.997 463 S CA 1.050 59.229 58.200 -0.035 0.000 0.949 463 S CB -0.293 62.890 63.200 -0.028 0.000 0.766 463 S HN 0.569 nan 8.310 nan 0.000 0.517 464 I N 0.746 121.205 120.570 -0.185 0.000 2.567 464 I HA -0.074 4.096 4.170 0.001 0.000 0.257 464 I C 1.868 177.891 176.117 -0.156 0.000 1.184 464 I CA 1.306 62.391 61.300 -0.358 0.000 1.451 464 I CB -0.612 36.759 38.000 -1.048 0.000 1.089 464 I HN 0.231 nan 8.210 nan 0.000 0.441 465 S N 0.420 116.105 115.700 -0.024 0.000 2.593 465 S HA 0.194 4.664 4.470 0.001 0.000 0.217 465 S C 0.896 175.754 174.600 0.429 0.000 0.966 465 S CA -0.489 57.885 58.200 0.290 0.000 0.914 465 S CB -0.293 62.962 63.200 0.093 0.000 0.776 465 S HN 0.448 nan 8.310 nan 0.000 0.523 466 R N 1.149 121.718 120.500 0.115 0.000 2.210 466 R HA 0.527 4.868 4.340 0.001 0.000 0.338 466 R C 1.346 177.311 176.300 -0.558 0.000 1.062 466 R CA 0.241 56.249 56.100 -0.154 0.000 0.902 466 R CB 0.729 30.953 30.300 -0.126 0.000 1.050 466 R HN 0.331 nan 8.270 nan 0.000 0.461 467 A N 3.706 125.792 122.820 -1.222 0.000 1.948 467 A HA -0.242 4.079 4.320 0.001 0.000 0.220 467 A C 1.604 178.789 177.584 -0.664 0.000 1.177 467 A CA 1.862 52.865 52.037 -1.724 0.000 0.636 467 A CB -0.375 17.559 19.000 -1.776 0.000 0.815 467 A HN 0.861 nan 8.150 nan 0.000 0.449 468 N N -0.644 117.809 118.700 -0.412 0.000 2.461 468 N HA 0.011 4.751 4.740 0.001 0.000 0.188 468 N C -0.190 175.234 175.510 -0.143 0.000 1.134 468 N CA 0.969 53.890 53.050 -0.215 0.000 0.878 468 N CB 0.008 38.396 38.487 -0.165 0.000 0.972 468 N HN 0.213 nan 8.380 nan 0.000 0.456 469 S N 0.319 115.932 115.700 -0.145 0.000 2.474 469 S HA 0.195 4.666 4.470 0.001 0.000 0.224 469 S C -0.294 174.307 174.600 0.002 0.000 1.209 469 S CA -0.730 57.426 58.200 -0.073 0.000 1.212 469 S CB 0.673 63.825 63.200 -0.080 0.000 1.137 469 S HN 0.251 nan 8.310 nan 0.000 0.446 470 E N 0.663 120.891 120.200 0.047 0.000 2.371 470 E HA 0.298 4.648 4.350 0.001 0.000 0.257 470 E C 1.580 178.249 176.600 0.116 0.000 1.134 470 E CA -0.143 56.365 56.400 0.181 0.000 0.919 470 E CB 0.404 30.266 29.700 0.271 0.000 1.025 470 E HN 0.359 nan 8.360 nan 0.000 0.438 471 G N 1.425 110.336 108.800 0.185 0.000 2.759 471 G HA2 -0.357 3.603 3.960 0.001 0.000 0.224 471 G HA3 -0.357 3.603 3.960 0.001 0.000 0.224 471 G C 1.122 175.992 174.900 -0.050 0.000 1.173 471 G CA 1.268 46.414 45.100 0.076 0.000 0.770 471 G HN 0.640 nan 8.290 nan 0.000 0.626 472 H N -0.257 118.812 119.070 -0.001 0.000 2.389 472 H HA -0.000 4.556 4.556 0.001 0.000 0.299 472 H C 2.879 178.042 175.328 -0.275 0.000 1.081 472 H CA 1.197 57.188 56.048 -0.095 0.000 1.345 472 H CB -0.203 29.507 29.762 -0.087 0.000 1.393 472 H HN 0.282 nan 8.280 nan 0.000 0.520 473 V N 1.266 120.996 119.914 -0.306 0.000 2.295 473 V HA -0.228 3.892 4.120 0.001 0.000 0.246 473 V C 2.857 178.915 176.094 -0.060 0.000 1.049 473 V CA 1.607 63.754 62.300 -0.254 0.000 1.024 473 V CB -0.951 30.753 31.823 -0.198 0.000 0.648 473 V HN 0.445 nan 8.190 nan 0.000 0.447 474 A N -0.004 122.784 122.820 -0.052 0.000 1.969 474 A HA -0.051 4.269 4.320 0.001 0.000 0.218 474 A C 2.392 179.957 177.584 -0.033 0.000 1.169 474 A CA 1.790 53.804 52.037 -0.038 0.000 0.635 474 A CB -0.702 18.279 19.000 -0.032 0.000 0.810 474 A HN 0.579 nan 8.150 nan 0.000 0.445 475 A N -0.423 122.377 122.820 -0.033 0.000 2.024 475 A HA -0.006 4.314 4.320 0.001 0.000 0.220 475 A C 2.113 179.687 177.584 -0.016 0.000 1.164 475 A CA 1.746 53.765 52.037 -0.030 0.000 0.643 475 A CB -0.738 18.237 19.000 -0.042 0.000 0.806 475 A HN 0.410 nan 8.150 nan 0.000 0.451 476 V N 0.177 120.100 119.914 0.016 0.000 2.548 476 V HA -0.235 3.885 4.120 0.001 0.000 0.249 476 V C 2.270 178.349 176.094 -0.024 0.000 1.055 476 V CA 1.994 64.305 62.300 0.019 0.000 1.065 476 V CB -0.863 31.014 31.823 0.090 0.000 0.681 476 V HN 0.656 nan 8.190 nan 0.000 0.462 477 E N 0.178 120.357 120.200 -0.036 0.000 2.077 477 E HA -0.171 4.180 4.350 0.001 0.000 0.193 477 E C 2.291 178.831 176.600 -0.099 0.000 0.989 477 E CA 1.458 57.821 56.400 -0.061 0.000 0.800 477 E CB -0.274 29.384 29.700 -0.069 0.000 0.746 477 E HN 0.461 nan 8.360 nan 0.000 0.452 478 V N 1.643 121.486 119.914 -0.118 0.000 2.270 478 V HA -0.243 3.878 4.120 0.001 0.000 0.245 478 V C 2.366 178.355 176.094 -0.174 0.000 1.043 478 V CA 1.493 63.667 62.300 -0.210 0.000 1.014 478 V CB -0.448 31.267 31.823 -0.179 0.000 0.645 478 V HN 0.221 nan 8.190 nan 0.000 0.447 479 L N 0.465 121.625 121.223 -0.106 0.000 2.012 479 L HA -0.214 4.127 4.340 0.001 0.000 0.210 479 L C 2.801 179.640 176.870 -0.051 0.000 1.073 479 L CA 2.236 57.026 54.840 -0.084 0.000 0.748 479 L CB -0.824 41.189 42.059 -0.077 0.000 0.891 479 L HN 0.429 nan 8.230 nan 0.000 0.431 480 R N 0.351 120.825 120.500 -0.043 0.000 2.193 480 R HA -0.093 4.247 4.340 0.001 0.000 0.229 480 R C 2.059 178.357 176.300 -0.003 0.000 1.110 480 R CA 1.335 57.432 56.100 -0.004 0.000 0.988 480 R CB -0.906 29.378 30.300 -0.026 0.000 0.871 480 R HN 0.320 nan 8.270 nan 0.000 0.458 481 G N 1.874 110.643 108.800 -0.052 0.000 2.404 481 G HA2 -0.105 3.855 3.960 0.001 0.000 0.213 481 G HA3 -0.105 3.855 3.960 0.001 0.000 0.213 481 G C 1.540 176.422 174.900 -0.030 0.000 1.189 481 G CA 0.543 45.607 45.100 -0.061 0.000 0.796 481 G HN 0.198 nan 8.290 nan 0.000 0.532 482 I N 0.302 120.839 120.570 -0.055 0.000 2.264 482 I HA -0.232 3.938 4.170 0.001 0.000 0.248 482 I C 2.563 178.733 176.117 0.088 0.000 1.111 482 I CA 1.241 62.538 61.300 -0.005 0.000 1.382 482 I CB -0.302 37.678 38.000 -0.033 0.000 1.060 482 I HN 0.148 nan 8.210 nan 0.000 0.418 483 H N 1.687 120.733 119.070 -0.040 0.000 2.357 483 H HA -0.056 4.501 4.556 0.001 0.000 0.301 483 H C 2.303 177.624 175.328 -0.012 0.000 1.082 483 H CA 1.544 57.575 56.048 -0.028 0.000 1.342 483 H CB -0.012 29.722 29.762 -0.047 0.000 1.389 483 H HN 0.166 nan 8.280 nan 0.000 0.511 484 R N -0.329 120.191 120.500 0.033 0.000 2.105 484 R HA -0.112 4.229 4.340 0.001 0.000 0.239 484 R C 2.176 178.486 176.300 0.017 0.000 1.135 484 R CA 1.403 57.486 56.100 -0.028 0.000 0.967 484 R CB -0.098 30.197 30.300 -0.009 0.000 0.861 484 R HN 0.322 nan 8.270 nan 0.000 0.442 485 I N 0.610 121.217 120.570 0.061 0.000 2.286 485 I HA -0.146 4.024 4.170 0.001 0.000 0.245 485 I C 2.596 178.786 176.117 0.122 0.000 1.104 485 I CA 1.129 62.488 61.300 0.099 0.000 1.397 485 I CB -1.523 36.553 38.000 0.127 0.000 1.072 485 I HN 0.091 nan 8.210 nan 0.000 0.417 486 A N 0.765 123.661 122.820 0.126 0.000 1.908 486 A HA -0.296 4.024 4.320 0.001 0.000 0.218 486 A C 2.126 179.754 177.584 0.074 0.000 1.181 486 A CA 2.317 54.424 52.037 0.117 0.000 0.627 486 A CB -0.959 18.143 19.000 0.170 0.000 0.818 486 A HN 0.428 nan 8.150 nan 0.000 0.445 487 D N -0.331 120.084 120.400 0.025 0.000 2.149 487 D HA -0.174 4.466 4.640 0.001 0.000 0.198 487 D C 2.022 178.328 176.300 0.010 0.000 0.990 487 D CA 1.840 55.825 54.000 -0.026 0.000 0.839 487 D CB -0.166 40.559 40.800 -0.125 0.000 0.948 487 D HN 0.629 nan 8.370 nan 0.000 0.460 488 M N -1.564 118.054 119.600 0.030 0.000 2.502 488 M HA 0.257 4.738 4.480 0.001 0.000 0.243 488 M C 0.383 176.717 176.300 0.057 0.000 1.130 488 M CA -0.090 55.235 55.300 0.041 0.000 1.055 488 M CB 0.713 33.339 32.600 0.044 0.000 1.457 488 M HN -0.294 nan 8.290 nan 0.000 0.488 489 S N 1.495 117.240 115.700 0.074 0.000 2.655 489 S HA 0.171 4.642 4.470 0.001 0.000 0.265 489 S C 0.751 175.371 174.600 0.033 0.000 1.240 489 S CA -0.118 58.128 58.200 0.077 0.000 0.986 489 S CB 1.193 64.442 63.200 0.081 0.000 0.985 489 S HN 0.625 nan 8.310 nan 0.000 0.562 490 E N 0.309 120.516 120.200 0.011 0.000 3.249 490 E HA 0.299 4.649 4.350 0.001 0.000 0.184 490 E C 1.210 177.801 176.600 -0.015 0.000 1.163 490 E CA -0.085 56.316 56.400 0.001 0.000 1.353 490 E CB -0.673 29.029 29.700 0.004 0.000 1.466 490 E HN 0.560 nan 8.360 nan 0.000 0.502 491 G N 0.944 109.726 108.800 -0.029 0.000 2.466 491 G HA2 -0.127 3.834 3.960 0.001 0.000 0.279 491 G HA3 -0.127 3.834 3.960 0.001 0.000 0.279 491 G C 0.533 175.402 174.900 -0.051 0.000 1.410 491 G CA 0.363 45.440 45.100 -0.038 0.000 1.065 491 G HN 0.349 nan 8.290 nan 0.000 0.547 492 E N -1.157 119.011 120.200 -0.054 0.000 2.164 492 E HA -0.230 4.121 4.350 0.001 0.000 0.206 492 E C 2.757 179.305 176.600 -0.085 0.000 1.032 492 E CA 2.084 58.449 56.400 -0.058 0.000 0.832 492 E CB -0.332 29.334 29.700 -0.058 0.000 0.742 492 E HN 0.478 nan 8.360 nan 0.000 0.460 493 T N 0.789 115.261 114.554 -0.137 0.000 2.594 493 T HA -0.326 4.024 4.350 0.001 0.000 0.266 493 T C 1.769 176.388 174.700 -0.136 0.000 1.070 493 T CA 2.022 63.990 62.100 -0.220 0.000 1.166 493 T CB -0.353 68.285 68.868 -0.383 0.000 0.862 493 T HN 0.254 nan 8.240 nan 0.000 0.436 494 K N 0.649 121.000 120.400 -0.081 0.000 2.044 494 K HA -0.255 4.065 4.320 0.001 0.000 0.210 494 K C 2.480 179.076 176.600 -0.007 0.000 1.049 494 K CA 1.962 58.237 56.287 -0.020 0.000 0.927 494 K CB -0.204 32.296 32.500 0.000 0.000 0.713 494 K HN 0.438 nan 8.250 nan 0.000 0.443 495 Q N 0.562 120.350 119.800 -0.019 0.000 2.079 495 Q HA -0.172 4.169 4.340 0.001 0.000 0.200 495 Q C 2.143 178.132 176.000 -0.019 0.000 0.974 495 Q CA 1.656 57.453 55.803 -0.011 0.000 0.840 495 Q CB -0.052 28.678 28.738 -0.013 0.000 0.898 495 Q HN 0.451 nan 8.270 nan 0.000 0.430 496 R N -0.240 120.238 120.500 -0.037 0.000 2.189 496 R HA -0.083 4.258 4.340 0.001 0.000 0.223 496 R C 1.825 178.105 176.300 -0.033 0.000 1.092 496 R CA 1.201 57.278 56.100 -0.038 0.000 0.989 496 R CB -0.338 29.929 30.300 -0.055 0.000 0.876 496 R HN 0.281 nan 8.270 nan 0.000 0.457 497 L N 0.515 121.722 121.223 -0.028 0.000 2.209 497 L HA 0.017 4.357 4.340 0.001 0.000 0.207 497 L C 2.480 179.344 176.870 -0.011 0.000 1.094 497 L CA 0.881 55.716 54.840 -0.008 0.000 0.790 497 L CB -0.263 41.809 42.059 0.023 0.000 0.932 497 L HN 0.255 nan 8.230 nan 0.000 0.447 498 Q N -0.599 119.201 119.800 -0.001 0.000 2.167 498 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 498 Q C 2.377 178.347 176.000 -0.050 0.000 0.970 498 Q CA 1.476 57.269 55.803 -0.016 0.000 0.855 498 Q CB 0.042 28.795 28.738 0.026 0.000 0.911 498 Q HN 0.369 nan 8.270 nan 0.000 0.438 499 S N 0.750 116.432 115.700 -0.031 0.000 2.387 499 S HA -0.098 4.372 4.470 0.001 0.000 0.226 499 S C 1.753 176.330 174.600 -0.038 0.000 1.026 499 S CA 0.583 58.765 58.200 -0.030 0.000 0.972 499 S CB -0.129 63.061 63.200 -0.017 0.000 0.814 499 S HN 0.234 nan 8.310 nan 0.000 0.477 500 L N 1.890 123.089 121.223 -0.040 0.000 2.017 500 L HA -0.045 4.295 4.340 0.001 0.000 0.208 500 L C 2.168 179.000 176.870 -0.063 0.000 1.073 500 L CA 1.693 56.508 54.840 -0.042 0.000 0.745 500 L CB -0.775 41.264 42.059 -0.033 0.000 0.894 500 L HN 0.120 nan 8.230 nan 0.000 0.432 501 V N -0.089 119.768 119.914 -0.096 0.000 2.295 501 V HA -0.312 3.809 4.120 0.001 0.000 0.246 501 V C 2.638 178.644 176.094 -0.146 0.000 1.049 501 V CA 2.213 64.423 62.300 -0.149 0.000 1.024 501 V CB -0.752 30.904 31.823 -0.279 0.000 0.648 501 V HN 0.526 nan 8.190 nan 0.000 0.447 502 K N -0.418 119.900 120.400 -0.138 0.000 2.097 502 K HA -0.199 4.122 4.320 0.001 0.000 0.205 502 K C 2.338 178.906 176.600 -0.053 0.000 1.050 502 K CA 1.852 58.079 56.287 -0.100 0.000 0.938 502 K CB -0.297 32.157 32.500 -0.077 0.000 0.718 502 K HN 0.496 nan 8.250 nan 0.000 0.442 503 T N 0.360 114.891 114.554 -0.039 0.000 2.857 503 T HA -0.035 4.316 4.350 0.001 0.000 0.266 503 T C 1.818 176.511 174.700 -0.012 0.000 1.048 503 T CA 1.082 63.174 62.100 -0.014 0.000 1.139 503 T CB -0.105 68.761 68.868 -0.004 0.000 0.874 503 T HN 0.230 nan 8.240 nan 0.000 0.455 504 I N 0.624 121.176 120.570 -0.030 0.000 2.353 504 I HA -0.065 4.105 4.170 0.001 0.000 0.248 504 I C 2.513 178.623 176.117 -0.010 0.000 1.119 504 I CA 0.652 61.937 61.300 -0.026 0.000 1.417 504 I CB -0.223 37.751 38.000 -0.043 0.000 1.078 504 I HN 0.146 nan 8.210 nan 0.000 0.421 505 V N 0.503 120.395 119.914 -0.036 0.000 2.358 505 V HA -0.271 3.850 4.120 0.001 0.000 0.246 505 V C 2.308 178.401 176.094 -0.002 0.000 1.047 505 V CA 1.733 64.012 62.300 -0.035 0.000 1.035 505 V CB -0.636 31.127 31.823 -0.100 0.000 0.658 505 V HN 0.470 nan 8.190 nan 0.000 0.452 506 Q N 0.241 120.040 119.800 -0.003 0.000 2.364 506 Q HA -0.119 4.221 4.340 0.001 0.000 0.207 506 Q C 2.206 178.233 176.000 0.044 0.000 0.970 506 Q CA 1.492 57.306 55.803 0.019 0.000 0.888 506 Q CB -0.177 28.570 28.738 0.015 0.000 0.951 506 Q HN 0.792 nan 8.270 nan 0.000 0.469 507 S N -0.293 115.437 115.700 0.051 0.000 2.558 507 S HA -0.034 4.436 4.470 0.001 0.000 0.217 507 S C 0.418 175.088 174.600 0.116 0.000 0.975 507 S CA -0.057 58.189 58.200 0.076 0.000 0.912 507 S CB 0.273 63.511 63.200 0.062 0.000 0.776 507 S HN 0.083 nan 8.310 nan 0.000 0.526 508 D N 2.420 122.895 120.400 0.125 0.000 2.467 508 D HA 0.313 4.953 4.640 0.001 0.000 0.220 508 D C 0.865 177.251 176.300 0.143 0.000 1.103 508 D CA -0.164 53.949 54.000 0.189 0.000 0.886 508 D CB 1.281 42.230 40.800 0.249 0.000 1.025 508 D HN 0.295 nan 8.370 nan 0.000 0.514 509 S N 2.725 118.514 115.700 0.148 0.000 2.558 509 S HA -0.092 4.378 4.470 0.001 0.000 0.217 509 S C 1.544 176.223 174.600 0.131 0.000 0.975 509 S CA -0.170 58.098 58.200 0.113 0.000 0.912 509 S CB -0.240 63.023 63.200 0.106 0.000 0.776 509 S HN 0.548 nan 8.310 nan 0.000 0.526 510 Y N 1.283 121.587 120.300 0.008 0.000 2.343 510 Y HA 0.368 4.918 4.550 0.001 0.000 0.294 510 Y C 0.283 176.188 175.900 0.009 0.000 1.122 510 Y CA -0.354 57.721 58.100 -0.041 0.000 1.173 510 Y CB -0.004 38.358 38.460 -0.164 0.000 1.077 510 Y HN 0.311 nan 8.280 nan 0.000 0.542 511 Y N 1.843 121.917 120.300 -0.377 0.000 2.364 511 Y HA 0.323 4.873 4.550 0.001 0.000 0.340 511 Y C -0.736 175.079 175.900 -0.141 0.000 0.975 511 Y CA -2.054 55.815 58.100 -0.386 0.000 1.089 511 Y CB 0.685 38.975 38.460 -0.284 0.000 1.192 511 Y HN 0.047 nan 8.280 nan 0.000 0.454 512 D N 5.432 125.443 120.400 -0.647 0.000 2.359 512 D HA -0.028 4.613 4.640 0.001 0.000 0.250 512 D C 1.121 177.057 176.300 -0.607 0.000 1.264 512 D CA 0.425 54.148 54.000 -0.462 0.000 0.911 512 D CB 1.201 41.793 40.800 -0.347 0.000 1.056 512 D HN 0.630 nan 8.370 nan 0.000 0.499 513 V N 5.363 125.086 119.914 -0.318 0.000 2.317 513 V HA -0.310 3.811 4.120 0.001 0.000 0.251 513 V C 1.768 177.674 176.094 -0.312 0.000 1.065 513 V CA 1.797 63.934 62.300 -0.273 0.000 1.049 513 V CB -0.646 30.988 31.823 -0.314 0.000 0.651 513 V HN 0.548 nan 8.190 nan 0.000 0.450 514 F N 0.551 120.412 119.950 -0.150 0.000 2.307 514 F HA -0.111 4.416 4.527 0.001 0.000 0.301 514 F C 2.295 178.026 175.800 -0.115 0.000 1.076 514 F CA 1.722 59.660 58.000 -0.105 0.000 1.383 514 F CB -0.522 38.426 39.000 -0.088 0.000 1.055 514 F HN 0.179 nan 8.300 nan 0.000 0.526 515 K N -0.529 119.830 120.400 -0.069 0.000 2.280 515 K HA -0.175 4.145 4.320 0.001 0.000 0.202 515 K C 0.852 177.474 176.600 0.036 0.000 1.047 515 K CA 1.137 57.390 56.287 -0.057 0.000 0.942 515 K CB -0.242 32.144 32.500 -0.190 0.000 0.739 515 K HN 0.070 nan 8.250 nan 0.000 0.457 516 N N 0.545 119.277 118.700 0.054 0.000 2.467 516 N HA 0.147 4.887 4.740 0.001 0.000 0.278 516 N C -1.403 174.130 175.510 0.037 0.000 1.306 516 N CA -0.062 53.042 53.050 0.090 0.000 0.905 516 N CB 0.388 38.987 38.487 0.187 0.000 1.236 516 N HN -0.045 nan 8.380 nan 0.000 0.509 517 L N 1.177 122.422 121.223 0.037 0.000 2.366 517 L HA 0.380 4.721 4.340 0.001 0.000 0.266 517 L C 0.750 177.638 176.870 0.030 0.000 1.010 517 L CA -0.385 54.471 54.840 0.027 0.000 0.879 517 L CB 1.436 43.528 42.059 0.055 0.000 1.228 517 L HN -0.028 nan 8.230 nan 0.000 0.439 518 K N 0.472 120.863 120.400 -0.015 0.000 2.487 518 K HA 0.065 4.386 4.320 0.001 0.000 0.192 518 K C 0.564 177.089 176.600 -0.124 0.000 1.027 518 K CA 0.172 56.430 56.287 -0.048 0.000 1.054 518 K CB 0.103 32.569 32.500 -0.056 0.000 0.824 518 K HN 0.597 nan 8.250 nan 0.000 0.510 519 T N -3.213 111.268 114.554 -0.123 0.000 2.893 519 T HA 0.222 4.573 4.350 0.001 0.000 0.291 519 T C 0.585 175.220 174.700 -0.108 0.000 1.028 519 T CA -0.865 61.100 62.100 -0.225 0.000 0.995 519 T CB 0.872 69.615 68.868 -0.207 0.000 1.051 519 T HN -0.057 nan 8.240 nan 0.000 0.470 520 Y N 1.306 121.608 120.300 0.004 0.000 2.274 520 Y HA 0.031 4.581 4.550 0.001 0.000 0.290 520 Y C 2.541 178.364 175.900 -0.128 0.000 1.145 520 Y CA 0.924 59.041 58.100 0.029 0.000 1.203 520 Y CB -0.574 37.987 38.460 0.169 0.000 0.984 520 Y HN 0.724 nan 8.280 nan 0.000 0.533 521 K N 0.412 120.692 120.400 -0.199 0.000 2.002 521 K HA -0.190 4.131 4.320 0.001 0.000 0.209 521 K C 1.617 178.018 176.600 -0.331 0.000 1.048 521 K CA 1.873 57.757 56.287 -0.672 0.000 0.930 521 K CB -0.184 31.922 32.500 -0.656 0.000 0.714 521 K HN 0.144 nan 8.250 nan 0.000 0.438 522 D N 0.883 121.177 120.400 -0.177 0.000 2.116 522 D HA -0.200 4.441 4.640 0.001 0.000 0.193 522 D C 1.987 178.309 176.300 0.036 0.000 0.998 522 D CA 1.452 55.405 54.000 -0.078 0.000 0.836 522 D CB -0.273 40.497 40.800 -0.050 0.000 0.951 522 D HN 0.312 nan 8.370 nan 0.000 0.449 523 I N 0.436 121.076 120.570 0.116 0.000 2.208 523 I HA -0.265 3.905 4.170 0.001 0.000 0.245 523 I C 2.603 178.893 176.117 0.289 0.000 1.097 523 I CA 0.841 62.334 61.300 0.321 0.000 1.363 523 I CB -0.246 37.917 38.000 0.271 0.000 1.051 523 I HN -0.077 nan 8.210 nan 0.000 0.413 524 S N 0.814 116.581 115.700 0.111 0.000 2.348 524 S HA -0.132 4.338 4.470 0.001 0.000 0.221 524 S C 2.053 176.708 174.600 0.091 0.000 1.033 524 S CA 1.337 59.585 58.200 0.080 0.000 1.010 524 S CB -0.321 62.904 63.200 0.042 0.000 0.891 524 S HN 0.297 nan 8.310 nan 0.000 0.442 525 L N 0.319 121.549 121.223 0.012 0.000 2.081 525 L HA -0.178 4.162 4.340 0.001 0.000 0.212 525 L C 2.606 179.624 176.870 0.246 0.000 1.080 525 L CA 1.476 56.325 54.840 0.016 0.000 0.754 525 L CB -0.437 41.467 42.059 -0.257 0.000 0.893 525 L HN 0.410 nan 8.230 nan 0.000 0.433 526 M N -0.690 119.059 119.600 0.248 0.000 2.098 526 M HA -0.186 4.294 4.480 0.001 0.000 0.262 526 M C 2.266 178.730 176.300 0.273 0.000 1.072 526 M CA 1.690 57.106 55.300 0.193 0.000 1.133 526 M CB -0.571 31.974 32.600 -0.091 0.000 1.344 526 M HN 0.066 nan 8.290 nan 0.000 0.414 527 Q N -0.333 119.732 119.800 0.440 0.000 2.096 527 Q HA -0.143 4.198 4.340 0.001 0.000 0.204 527 Q C 1.973 178.076 176.000 0.171 0.000 0.982 527 Q CA 2.264 58.266 55.803 0.330 0.000 0.850 527 Q CB -0.372 28.448 28.738 0.136 0.000 0.901 527 Q HN 0.611 nan 8.270 nan 0.000 0.422 528 S N 1.029 116.818 115.700 0.149 0.000 2.348 528 S HA -0.160 4.311 4.470 0.001 0.000 0.221 528 S C 1.928 176.591 174.600 0.105 0.000 1.033 528 S CA 1.173 59.439 58.200 0.109 0.000 1.010 528 S CB -0.514 62.748 63.200 0.104 0.000 0.891 528 S HN 0.392 nan 8.310 nan 0.000 0.442 529 L N 2.075 123.380 121.223 0.137 0.000 2.013 529 L HA -0.046 4.294 4.340 0.001 0.000 0.212 529 L C 1.955 178.853 176.870 0.046 0.000 1.073 529 L CA 1.699 56.594 54.840 0.092 0.000 0.753 529 L CB -0.676 41.418 42.059 0.058 0.000 0.890 529 L HN 0.295 nan 8.230 nan 0.000 0.432 530 L N -0.945 120.311 121.223 0.056 0.000 2.353 530 L HA -0.117 4.224 4.340 0.001 0.000 0.220 530 L C 1.031 177.930 176.870 0.048 0.000 1.133 530 L CA 0.851 55.719 54.840 0.047 0.000 0.798 530 L CB -0.348 41.761 42.059 0.084 0.000 0.922 530 L HN 0.266 nan 8.230 nan 0.000 0.445 531 S N -1.272 114.460 115.700 0.053 0.000 2.581 531 S HA 0.136 4.607 4.470 0.001 0.000 0.245 531 S C -0.432 174.188 174.600 0.033 0.000 1.115 531 S CA -0.342 57.882 58.200 0.040 0.000 1.093 531 S CB 0.071 63.294 63.200 0.038 0.000 0.853 531 S HN 0.141 nan 8.310 nan 0.000 0.479 532 D N 1.247 121.665 120.400 0.031 0.000 2.375 532 D HA 0.511 5.151 4.640 0.001 0.000 0.259 532 D C 0.725 177.037 176.300 0.020 0.000 1.235 532 D CA -0.439 53.578 54.000 0.027 0.000 0.924 532 D CB 0.902 41.722 40.800 0.034 0.000 1.143 532 D HN 0.142 nan 8.370 nan 0.000 0.529 533 A N 2.245 125.075 122.820 0.017 0.000 2.131 533 A HA 0.003 4.324 4.320 0.001 0.000 0.220 533 A C 2.043 179.635 177.584 0.012 0.000 1.158 533 A CA 1.622 53.667 52.037 0.014 0.000 0.665 533 A CB -0.421 18.586 19.000 0.012 0.000 0.795 533 A HN 0.557 nan 8.150 nan 0.000 0.460 534 G N -0.816 107.992 108.800 0.014 0.000 2.432 534 G HA2 0.103 4.063 3.960 0.001 0.000 0.219 534 G HA3 0.103 4.063 3.960 0.001 0.000 0.219 534 G C 0.577 175.484 174.900 0.011 0.000 1.135 534 G CA 0.918 46.025 45.100 0.012 0.000 0.767 534 G HN 0.314 nan 8.290 nan 0.000 0.550 535 V N 1.847 121.768 119.914 0.013 0.000 2.368 535 V HA 0.592 4.712 4.120 0.001 0.000 0.266 535 V C 0.881 176.978 176.094 0.005 0.000 1.045 535 V CA -0.972 61.333 62.300 0.009 0.000 0.899 535 V CB 0.399 32.228 31.823 0.010 0.000 1.006 535 V HN 0.469 nan 8.190 nan 0.000 0.470 536 A N 4.297 127.119 122.820 0.003 0.000 2.492 536 A HA 0.426 4.747 4.320 0.001 0.000 0.236 536 A C 0.649 178.234 177.584 0.002 0.000 1.078 536 A CA 0.317 52.356 52.037 0.004 0.000 0.773 536 A CB 0.366 19.369 19.000 0.004 0.000 1.023 536 A HN 0.940 nan 8.150 nan 0.000 0.504 537 S N 0.514 116.218 115.700 0.006 0.000 2.356 537 S HA 0.459 4.929 4.470 0.001 0.000 0.171 537 S C -1.071 173.539 174.600 0.016 0.000 1.399 537 S CA -0.514 57.690 58.200 0.007 0.000 1.225 537 S CB -0.157 63.046 63.200 0.006 0.000 1.271 537 S HN 0.792 nan 8.310 nan 0.000 0.427 538 V N 4.448 124.373 119.914 0.019 0.000 2.435 538 V HA 0.527 4.647 4.120 0.001 0.000 0.290 538 V C -2.237 173.882 176.094 0.042 0.000 1.030 538 V CA -2.159 60.158 62.300 0.029 0.000 0.881 538 V CB 1.170 33.009 31.823 0.028 0.000 0.983 538 V HN 0.557 nan 8.190 nan 0.000 0.445 539 P HA 0.145 nan 4.420 nan 0.000 0.261 539 P C -0.006 177.359 177.300 0.109 0.000 1.183 539 P CA -0.020 63.130 63.100 0.084 0.000 0.761 539 P CB 0.290 32.047 31.700 0.096 0.000 0.785 540 R N 1.065 121.638 120.500 0.123 0.000 2.697 540 R HA 0.140 4.480 4.340 0.001 0.000 0.265 540 R C 1.049 177.506 176.300 0.262 0.000 1.009 540 R CA 0.285 56.484 56.100 0.165 0.000 1.099 540 R CB -0.144 30.240 30.300 0.140 0.000 0.965 540 R HN 0.404 nan 8.270 nan 0.000 0.428 541 T N 0.563 115.250 114.554 0.222 0.000 2.874 541 T HA 0.138 4.489 4.350 0.001 0.000 0.281 541 T C 0.208 175.053 174.700 0.242 0.000 0.994 541 T CA -0.600 61.606 62.100 0.177 0.000 1.015 541 T CB 0.760 69.695 68.868 0.112 0.000 1.028 541 T HN 0.538 nan 8.240 nan 0.000 0.523 542 S N 1.779 117.510 115.700 0.052 0.000 2.569 542 S HA 0.418 4.889 4.470 0.001 0.000 0.274 542 S C -0.935 173.725 174.600 0.099 0.000 1.353 542 S CA -0.022 58.132 58.200 -0.078 0.000 1.023 542 S CB -0.203 62.887 63.200 -0.185 0.000 0.876 542 S HN 0.737 nan 8.310 nan 0.000 0.540 543 Y N -1.093 119.240 120.300 0.055 0.000 2.641 543 Y HA 0.678 5.228 4.550 0.001 0.000 0.333 543 Y C -1.733 174.176 175.900 0.015 0.000 1.174 543 Y CA -1.402 56.718 58.100 0.033 0.000 1.057 543 Y CB 0.921 39.409 38.460 0.047 0.000 1.322 543 Y HN 0.526 nan 8.280 nan 0.000 0.457 544 L N 2.950 124.303 121.223 0.216 0.000 2.457 544 L HA 0.633 4.973 4.340 0.001 0.000 0.266 544 L C -1.234 175.637 176.870 0.003 0.000 0.979 544 L CA -0.379 54.521 54.840 0.100 0.000 0.857 544 L CB 1.661 43.731 42.059 0.020 0.000 1.213 544 L HN 0.840 nan 8.230 nan 0.000 0.418 545 S N 3.267 118.920 115.700 -0.078 0.000 2.457 545 S HA 0.653 5.123 4.470 0.001 0.000 0.289 545 S C 0.121 174.397 174.600 -0.541 0.000 1.163 545 S CA -0.439 57.486 58.200 -0.458 0.000 1.078 545 S CB 1.528 64.189 63.200 -0.897 0.000 0.987 545 S HN 0.655 nan 8.310 nan 0.000 0.482 546 A N 3.423 125.951 122.820 -0.488 0.000 2.511 546 A HA 0.561 4.881 4.320 0.001 0.000 0.340 546 A C -0.547 176.843 177.584 -0.324 0.000 1.396 546 A CA -0.560 51.272 52.037 -0.342 0.000 0.887 546 A CB -0.492 18.344 19.000 -0.275 0.000 1.145 546 A HN 0.690 nan 8.150 nan 0.000 0.497 547 F N 2.023 121.926 119.950 -0.078 0.000 2.666 547 F HA 0.122 4.649 4.527 0.001 0.000 0.362 547 F C 1.401 177.134 175.800 -0.111 0.000 1.190 547 F CA -0.612 57.339 58.000 -0.082 0.000 1.328 547 F CB -0.475 38.482 39.000 -0.071 0.000 1.682 547 F HN 0.545 nan 8.300 nan 0.000 0.623 548 N N 0.908 119.599 118.700 -0.015 0.000 2.205 548 N HA -0.160 4.581 4.740 0.001 0.000 0.186 548 N C 1.744 177.230 175.510 -0.039 0.000 1.015 548 N CA 0.961 53.982 53.050 -0.049 0.000 0.862 548 N CB 0.123 38.530 38.487 -0.133 0.000 0.986 548 N HN 0.246 nan 8.380 nan 0.000 0.429 549 K N 0.741 121.085 120.400 -0.094 0.000 2.555 549 K HA 0.000 4.321 4.320 0.001 0.000 0.193 549 K C 1.472 177.892 176.600 -0.300 0.000 1.032 549 K CA 0.371 56.486 56.287 -0.287 0.000 1.004 549 K CB -0.077 32.051 32.500 -0.620 0.000 0.804 549 K HN 0.502 nan 8.250 nan 0.000 0.496 550 M N -2.124 117.394 119.600 -0.137 0.000 2.621 550 M HA 0.245 4.726 4.480 0.001 0.000 0.421 550 M C -1.207 175.080 176.300 -0.022 0.000 1.180 550 M CA -0.149 55.086 55.300 -0.109 0.000 0.875 550 M CB 0.708 33.218 32.600 -0.150 0.000 1.572 550 M HN -0.216 nan 8.290 nan 0.000 0.541 551 D N 2.516 122.919 120.400 0.006 0.000 2.689 551 D HA -0.110 4.530 4.640 0.001 0.000 0.237 551 D C -0.836 175.487 176.300 0.039 0.000 1.148 551 D CA 1.095 55.114 54.000 0.032 0.000 0.656 551 D CB -0.462 40.376 40.800 0.062 0.000 1.050 551 D HN 0.524 nan 8.370 nan 0.000 0.426 552 K N -0.090 120.350 120.400 0.067 0.000 2.502 552 K HA 0.598 4.918 4.320 0.001 0.000 0.257 552 K C -0.096 176.583 176.600 0.132 0.000 0.938 552 K CA -0.533 55.800 56.287 0.078 0.000 0.819 552 K CB 2.244 34.793 32.500 0.081 0.000 1.333 552 K HN -0.110 nan 8.250 nan 0.000 0.434 553 T N 0.402 114.984 114.554 0.047 0.000 2.886 553 T HA 0.706 5.056 4.350 0.001 0.000 0.292 553 T C -1.075 173.658 174.700 0.056 0.000 1.012 553 T CA -0.775 61.333 62.100 0.013 0.000 0.982 553 T CB 1.878 70.730 68.868 -0.027 0.000 1.018 553 T HN 0.594 nan 8.240 nan 0.000 0.451 554 A N 3.512 126.375 122.820 0.073 0.000 2.335 554 A HA 0.825 5.146 4.320 0.001 0.000 0.304 554 A C -0.581 177.107 177.584 0.172 0.000 1.118 554 A CA -0.779 51.352 52.037 0.157 0.000 0.757 554 A CB 1.153 20.308 19.000 0.259 0.000 1.188 554 A HN 0.896 nan 8.150 nan 0.000 0.460 555 M N 2.995 122.717 119.600 0.203 0.000 2.456 555 M HA 0.738 5.218 4.480 0.001 0.000 0.324 555 M C -2.165 174.127 176.300 -0.014 0.000 1.124 555 M CA -0.700 54.663 55.300 0.106 0.000 0.959 555 M CB 1.914 34.653 32.600 0.231 0.000 1.692 555 M HN 0.763 nan 8.290 nan 0.000 0.444 556 Y N 4.249 124.236 120.300 -0.523 0.000 2.332 556 Y HA 0.410 4.960 4.550 0.001 0.000 0.325 556 Y C -1.606 173.944 175.900 -0.584 0.000 1.054 556 Y CA -0.986 56.728 58.100 -0.644 0.000 1.119 556 Y CB 1.204 39.027 38.460 -1.061 0.000 1.168 556 Y HN 0.778 nan 8.280 nan 0.000 0.439 557 N N 4.678 122.581 118.700 -1.328 0.000 2.485 557 N HA 0.332 5.072 4.740 0.001 0.000 0.243 557 N C 0.327 175.086 175.510 -1.251 0.000 0.987 557 N CA 0.585 52.960 53.050 -1.125 0.000 0.940 557 N CB 1.754 39.558 38.487 -1.138 0.000 1.122 557 N HN 0.894 nan 8.380 nan 0.000 0.509 558 A N 3.404 125.638 122.820 -0.976 0.000 2.015 558 A HA -0.106 4.215 4.320 0.001 0.000 0.219 558 A C 1.860 179.283 177.584 -0.268 0.000 1.163 558 A CA 1.046 52.756 52.037 -0.545 0.000 0.646 558 A CB -0.310 18.610 19.000 -0.134 0.000 0.806 558 A HN 0.821 nan 8.150 nan 0.000 0.448 559 E N 0.078 120.124 120.200 -0.257 0.000 2.017 559 E HA -0.165 4.186 4.350 0.001 0.000 0.193 559 E C 1.460 178.009 176.600 -0.085 0.000 0.997 559 E CA 1.287 57.609 56.400 -0.130 0.000 0.804 559 E CB -0.074 29.558 29.700 -0.112 0.000 0.757 559 E HN 0.554 nan 8.360 nan 0.000 0.448 560 K N -0.914 119.425 120.400 -0.102 0.000 2.404 560 K HA 0.108 4.429 4.320 0.001 0.000 0.194 560 K C 0.334 176.989 176.600 0.092 0.000 1.023 560 K CA 0.465 56.779 56.287 0.045 0.000 1.094 560 K CB 0.907 33.522 32.500 0.190 0.000 0.841 560 K HN 0.300 nan 8.250 nan 0.000 0.523 561 G N 2.699 111.473 108.800 -0.043 0.000 2.353 561 G HA2 -0.248 3.712 3.960 0.001 0.000 0.294 561 G HA3 -0.248 3.712 3.960 0.001 0.000 0.294 561 G C -0.397 174.647 174.900 0.241 0.000 1.077 561 G CA 0.361 45.505 45.100 0.074 0.000 1.098 561 G HN 0.357 nan 8.290 nan 0.000 0.511 562 F N -1.309 118.662 119.950 0.035 0.000 2.668 562 F HA 0.848 5.376 4.527 0.001 0.000 0.309 562 F C 0.028 175.986 175.800 0.263 0.000 1.117 562 F CA -1.343 56.764 58.000 0.177 0.000 0.951 562 F CB 0.948 40.024 39.000 0.125 0.000 1.323 562 F HN 0.559 nan 8.300 nan 0.000 0.451 563 G N 1.043 110.280 108.800 0.729 0.000 2.481 563 G HA2 0.651 4.612 3.960 0.001 0.000 0.315 563 G HA3 0.651 4.612 3.960 0.001 0.000 0.315 563 G C -2.611 172.804 174.900 0.859 0.000 1.231 563 G CA -0.874 44.613 45.100 0.644 0.000 0.968 563 G HN 0.816 nan 8.290 nan 0.000 0.482 564 F N 1.044 121.289 119.950 0.491 0.000 2.557 564 F HA 0.692 5.219 4.527 0.001 0.000 0.316 564 F C 0.073 176.100 175.800 0.378 0.000 1.141 564 F CA -0.926 57.360 58.000 0.477 0.000 0.922 564 F CB 2.224 41.473 39.000 0.415 0.000 1.194 564 F HN 0.693 nan 8.300 nan 0.000 0.443 565 G N 5.903 114.604 108.800 -0.165 0.000 2.478 565 G HA2 0.565 4.525 3.960 0.001 0.000 0.317 565 G HA3 0.565 4.525 3.960 0.001 0.000 0.317 565 G C -2.397 172.267 174.900 -0.393 0.000 1.259 565 G CA -0.647 44.354 45.100 -0.166 0.000 0.933 565 G HN 0.646 nan 8.290 nan 0.000 0.478 566 L N 2.518 123.529 121.223 -0.354 0.000 2.298 566 L HA 0.713 5.053 4.340 0.001 0.000 0.284 566 L C 0.093 176.856 176.870 -0.178 0.000 1.013 566 L CA -0.637 53.975 54.840 -0.380 0.000 0.824 566 L CB 1.999 43.765 42.059 -0.488 0.000 1.221 566 L HN 0.378 nan 8.230 nan 0.000 0.418 567 S N 6.112 121.777 115.700 -0.057 0.000 2.461 567 S HA 0.735 5.206 4.470 0.001 0.000 0.322 567 S C -0.409 174.235 174.600 0.074 0.000 1.063 567 S CA -0.606 57.623 58.200 0.048 0.000 1.120 567 S CB -0.096 63.230 63.200 0.210 0.000 0.968 567 S HN 0.617 nan 8.310 nan 0.000 0.467 568 L N 3.734 125.010 121.223 0.088 0.000 2.242 568 L HA 0.881 5.221 4.340 0.001 0.000 0.261 568 L C -0.632 176.464 176.870 0.377 0.000 1.052 568 L CA -1.306 53.661 54.840 0.212 0.000 0.972 568 L CB 1.073 43.190 42.059 0.097 0.000 1.562 568 L HN 0.737 nan 8.230 nan 0.000 0.509 569 F N -1.234 118.795 119.950 0.131 0.000 2.842 569 F HA 0.667 5.195 4.527 0.001 0.000 0.319 569 F C -0.884 175.006 175.800 0.150 0.000 1.159 569 F CA -0.421 57.653 58.000 0.123 0.000 0.902 569 F CB 0.848 39.937 39.000 0.148 0.000 1.311 569 F HN 0.599 nan 8.300 nan 0.000 0.453 570 S N -0.363 115.343 115.700 0.010 0.000 2.930 570 S HA 0.375 4.845 4.470 0.001 0.000 0.306 570 S C 0.290 174.911 174.600 0.035 0.000 1.238 570 S CA -0.109 58.012 58.200 -0.132 0.000 1.000 570 S CB 0.418 63.589 63.200 -0.049 0.000 1.342 570 S HN 1.769 nan 8.310 nan 0.000 0.575 571 S N 0.262 115.978 115.700 0.027 0.000 2.507 571 S HA 0.015 4.485 4.470 0.001 0.000 0.235 571 S C 1.217 175.860 174.600 0.073 0.000 0.988 571 S CA 0.603 58.842 58.200 0.064 0.000 0.944 571 S CB -0.603 62.626 63.200 0.048 0.000 0.762 571 S HN 0.641 nan 8.310 nan 0.000 0.526 572 R N 1.009 121.548 120.500 0.065 0.000 2.334 572 R HA 0.199 4.540 4.340 0.001 0.000 0.212 572 R C 0.017 176.356 176.300 0.064 0.000 0.897 572 R CA 0.729 56.860 56.100 0.052 0.000 1.056 572 R CB 0.656 30.971 30.300 0.023 0.000 1.046 572 R HN 0.621 nan 8.270 nan 0.000 0.513 573 T N -2.091 112.535 114.554 0.121 0.000 2.916 573 T HA 0.390 4.741 4.350 0.001 0.000 0.305 573 T C -0.754 174.093 174.700 0.245 0.000 1.119 573 T CA -0.908 61.276 62.100 0.139 0.000 1.008 573 T CB 1.888 70.828 68.868 0.121 0.000 1.129 573 T HN -0.139 nan 8.240 nan 0.000 0.480 574 L N 3.137 124.441 121.223 0.135 0.000 2.417 574 L HA 0.331 4.671 4.340 0.001 0.000 0.268 574 L C 1.617 178.478 176.870 -0.015 0.000 1.158 574 L CA -0.139 54.756 54.840 0.091 0.000 0.819 574 L CB 0.577 42.635 42.059 -0.002 0.000 1.112 574 L HN 0.898 nan 8.230 nan 0.000 0.458 575 N N 2.073 120.585 118.700 -0.314 0.000 2.270 575 N HA -0.090 4.651 4.740 0.001 0.000 0.181 575 N C -0.566 174.871 175.510 -0.122 0.000 1.016 575 N CA 1.192 53.809 53.050 -0.721 0.000 0.870 575 N CB -0.233 37.346 38.487 -1.515 0.000 0.979 575 N HN 0.569 nan 8.380 nan 0.000 0.431 576 Y N -2.543 117.605 120.300 -0.254 0.000 2.573 576 Y HA 0.530 5.080 4.550 0.001 0.000 0.328 576 Y C -1.608 174.219 175.900 -0.122 0.000 1.170 576 Y CA -1.930 56.052 58.100 -0.197 0.000 1.078 576 Y CB 0.400 38.730 38.460 -0.217 0.000 1.341 576 Y HN 0.021 nan 8.280 nan 0.000 0.459 577 E N 3.143 123.151 120.200 -0.321 0.000 2.156 577 E HA 0.269 4.619 4.350 0.001 0.000 0.279 577 E C -1.589 174.866 176.600 -0.241 0.000 0.965 577 E CA -0.705 55.519 56.400 -0.293 0.000 0.789 577 E CB 0.720 30.396 29.700 -0.040 0.000 1.098 577 E HN 0.828 nan 8.360 nan 0.000 0.397 578 H N 7.095 125.919 119.070 -0.410 0.000 2.953 578 H HA 0.363 4.919 4.556 0.001 0.000 0.290 578 H C -1.241 174.002 175.328 -0.143 0.000 1.113 578 H CA -0.793 55.106 56.048 -0.248 0.000 1.454 578 H CB 0.429 30.028 29.762 -0.271 0.000 1.525 578 H HN 0.610 nan 8.280 nan 0.000 0.505 579 M N 2.528 121.988 119.600 -0.233 0.000 2.470 579 M HA 0.391 4.871 4.480 0.001 0.000 0.285 579 M C -0.798 175.415 176.300 -0.144 0.000 1.213 579 M CA -0.829 54.313 55.300 -0.263 0.000 0.901 579 M CB 1.980 34.487 32.600 -0.155 0.000 1.718 579 M HN 0.384 nan 8.290 nan 0.000 0.469 580 N N 0.903 119.515 118.700 -0.147 0.000 2.776 580 N HA -0.183 4.558 4.740 0.001 0.000 0.250 580 N C -0.956 174.526 175.510 -0.047 0.000 1.112 580 N CA 1.471 54.471 53.050 -0.083 0.000 0.733 580 N CB -1.428 37.022 38.487 -0.062 0.000 1.097 580 N HN 1.019 nan 8.380 nan 0.000 0.558 581 K N -1.979 118.392 120.400 -0.049 0.000 3.230 581 K HA -0.232 4.088 4.320 0.001 0.000 0.285 581 K C -0.713 175.950 176.600 0.105 0.000 1.196 581 K CA 1.227 57.553 56.287 0.066 0.000 0.838 581 K CB -1.265 31.260 32.500 0.043 0.000 1.262 581 K HN 0.560 nan 8.250 nan 0.000 0.492 582 E N 0.835 121.100 120.200 0.109 0.000 2.195 582 E HA 0.278 4.629 4.350 0.001 0.000 0.271 582 E C -0.149 176.523 176.600 0.120 0.000 0.923 582 E CA -1.097 55.356 56.400 0.088 0.000 0.790 582 E CB 1.239 30.962 29.700 0.038 0.000 1.155 582 E HN 0.227 nan 8.360 nan 0.000 0.402 583 N N 2.118 120.830 118.700 0.020 0.000 2.746 583 N HA -0.196 4.544 4.740 0.001 0.000 0.250 583 N C -0.155 175.262 175.510 -0.154 0.000 1.055 583 N CA 0.634 53.638 53.050 -0.077 0.000 0.699 583 N CB -0.679 37.773 38.487 -0.059 0.000 0.919 583 N HN 0.550 nan 8.380 nan 0.000 0.548 584 K N -0.047 120.200 120.400 -0.256 0.000 2.360 584 K HA -0.013 4.307 4.320 0.001 0.000 0.201 584 K C 0.651 176.801 176.600 -0.749 0.000 1.046 584 K CA 1.020 56.985 56.287 -0.538 0.000 0.945 584 K CB 0.084 32.406 32.500 -0.298 0.000 0.750 584 K HN 0.416 nan 8.250 nan 0.000 0.464 585 R N -0.397 119.560 120.500 -0.905 0.000 2.690 585 R HA 0.109 4.450 4.340 0.001 0.000 0.419 585 R C 0.680 175.998 176.300 -1.637 0.000 1.090 585 R CA -0.236 54.745 56.100 -1.864 0.000 1.064 585 R CB 1.215 30.622 30.300 -1.489 0.000 1.391 585 R HN 0.041 nan 8.270 nan 0.000 0.586 586 G N 0.025 108.151 108.800 -1.123 0.000 3.327 586 G HA2 -0.067 3.894 3.960 0.001 0.000 0.240 586 G HA3 -0.067 3.894 3.960 0.001 0.000 0.240 586 G C 0.705 174.827 174.900 -1.296 0.000 1.222 586 G CA -0.400 44.212 45.100 -0.814 0.000 0.871 586 G HN 0.327 nan 8.290 nan 0.000 0.525 587 W N 0.544 121.006 121.300 -1.395 0.000 2.277 587 W HA -0.218 4.443 4.660 0.001 0.000 0.327 587 W C 1.076 176.959 176.519 -1.059 0.000 1.284 587 W CA 1.038 57.433 57.345 -1.584 0.000 1.277 587 W CB -0.905 27.547 29.460 -1.679 0.000 1.141 587 W HN 0.435 nan 8.180 nan 0.000 0.482 588 Y N 0.002 120.254 120.300 -0.079 0.000 2.531 588 Y HA 0.106 4.657 4.550 0.001 0.000 0.249 588 Y C 2.164 178.097 175.900 0.056 0.000 1.168 588 Y CA 0.520 58.656 58.100 0.060 0.000 1.226 588 Y CB -1.293 37.264 38.460 0.162 0.000 1.177 588 Y HN -0.120 nan 8.280 nan 0.000 0.527 589 T N -4.054 110.542 114.554 0.071 0.000 3.228 589 T HA -0.020 4.330 4.350 0.001 0.000 0.261 589 T C 1.098 175.894 174.700 0.159 0.000 1.171 589 T CA 1.117 63.297 62.100 0.134 0.000 1.056 589 T CB -0.273 68.647 68.868 0.086 0.000 0.938 589 T HN 0.154 nan 8.240 nan 0.000 0.539 590 S N 0.173 115.972 115.700 0.165 0.000 2.893 590 S HA 0.192 4.662 4.470 0.001 0.000 0.258 590 S C -0.300 174.577 174.600 0.463 0.000 1.034 590 S CA -0.487 57.852 58.200 0.231 0.000 1.167 590 S CB 0.470 63.714 63.200 0.073 0.000 1.137 590 S HN 0.353 nan 8.310 nan 0.000 0.650 591 D N 2.163 122.820 120.400 0.429 0.000 3.134 591 D HA 0.453 5.094 4.640 0.001 0.000 0.248 591 D C 1.073 177.511 176.300 0.230 0.000 1.273 591 D CA 0.456 54.733 54.000 0.462 0.000 0.904 591 D CB -0.161 40.929 40.800 0.484 0.000 1.089 591 D HN 0.429 nan 8.370 nan 0.000 0.478 592 G N 1.051 110.033 108.800 0.303 0.000 2.132 592 G HA2 -0.311 3.650 3.960 0.001 0.000 0.228 592 G HA3 -0.311 3.650 3.960 0.001 0.000 0.228 592 G C 0.374 175.463 174.900 0.315 0.000 1.000 592 G CA -0.131 45.177 45.100 0.346 0.000 0.693 592 G HN 0.416 nan 8.290 nan 0.000 0.515 593 M N 0.619 120.356 119.600 0.228 0.000 2.228 593 M HA 0.600 5.081 4.480 0.001 0.000 0.351 593 M C 0.454 176.855 176.300 0.168 0.000 1.233 593 M CA -0.440 54.969 55.300 0.181 0.000 1.129 593 M CB 0.142 32.803 32.600 0.102 0.000 1.604 593 M HN 0.510 nan 8.290 nan 0.000 0.457 594 F N 3.552 123.505 119.950 0.006 0.000 2.561 594 F HA 0.714 5.242 4.527 0.001 0.000 0.321 594 F C -2.265 173.461 175.800 -0.124 0.000 1.065 594 F CA -1.080 56.893 58.000 -0.045 0.000 0.934 594 F CB 0.871 39.972 39.000 0.169 0.000 1.215 594 F HN 0.415 nan 8.300 nan 0.000 0.471 595 Y N 3.041 123.208 120.300 -0.221 0.000 2.376 595 Y HA 0.623 5.173 4.550 0.001 0.000 0.340 595 Y C -1.056 174.836 175.900 -0.013 0.000 0.965 595 Y CA -1.317 56.595 58.100 -0.313 0.000 1.078 595 Y CB 2.004 40.180 38.460 -0.473 0.000 1.193 595 Y HN 0.777 nan 8.280 nan 0.000 0.452 596 L N 4.513 125.803 121.223 0.112 0.000 2.319 596 L HA 0.542 4.882 4.340 0.001 0.000 0.281 596 L C -1.933 174.948 176.870 0.018 0.000 1.005 596 L CA -0.961 54.031 54.840 0.253 0.000 0.828 596 L CB 0.203 42.414 42.059 0.254 0.000 1.227 596 L HN 0.480 nan 8.230 nan 0.000 0.415 597 Y N 5.629 126.146 120.300 0.362 0.000 2.385 597 Y HA 0.459 5.010 4.550 0.001 0.000 0.341 597 Y C 0.460 176.525 175.900 0.275 0.000 0.965 597 Y CA -0.449 57.833 58.100 0.304 0.000 1.180 597 Y CB 0.675 39.313 38.460 0.297 0.000 1.139 597 Y HN 0.802 nan 8.280 nan 0.000 0.502 598 N N 0.145 119.000 118.700 0.257 0.000 3.470 598 N HA 0.345 5.086 4.740 0.001 0.000 0.361 598 N C 1.419 177.032 175.510 0.172 0.000 1.536 598 N CA -0.228 52.951 53.050 0.215 0.000 0.642 598 N CB -0.322 38.225 38.487 0.100 0.000 2.002 598 N HN 0.467 nan 8.380 nan 0.000 0.620 599 G N -1.185 107.687 108.800 0.119 0.000 2.450 599 G HA2 -0.216 3.744 3.960 0.001 0.000 0.220 599 G HA3 -0.216 3.744 3.960 0.001 0.000 0.220 599 G C 0.038 174.972 174.900 0.057 0.000 1.130 599 G CA 1.297 46.451 45.100 0.090 0.000 0.760 599 G HN 0.752 nan 8.290 nan 0.000 0.557 600 D N 0.291 120.706 120.400 0.025 0.000 2.483 600 D HA 0.230 4.870 4.640 0.001 0.000 0.220 600 D C 1.317 177.595 176.300 -0.037 0.000 1.173 600 D CA -0.514 53.467 54.000 -0.032 0.000 0.964 600 D CB 0.291 41.060 40.800 -0.053 0.000 1.046 600 D HN -0.094 nan 8.370 nan 0.000 0.517 601 L N 2.425 123.623 121.223 -0.041 0.000 2.633 601 L HA -0.043 4.297 4.340 0.001 0.000 0.235 601 L C 2.063 178.715 176.870 -0.362 0.000 1.163 601 L CA 0.990 55.827 54.840 -0.005 0.000 0.859 601 L CB -0.650 41.470 42.059 0.102 0.000 0.973 601 L HN 0.462 nan 8.230 nan 0.000 0.451 602 S N -3.585 111.753 115.700 -0.604 0.000 2.539 602 S HA -0.022 4.449 4.470 0.001 0.000 0.221 602 S C 1.912 176.309 174.600 -0.339 0.000 0.987 602 S CA -0.307 57.412 58.200 -0.801 0.000 0.929 602 S CB -0.513 62.154 63.200 -0.889 0.000 0.832 602 S HN 0.461 nan 8.310 nan 0.000 0.492 603 H N 1.642 120.489 119.070 -0.372 0.000 2.289 603 H HA -0.175 4.381 4.556 0.001 0.000 0.294 603 H C 0.340 175.281 175.328 -0.645 0.000 1.095 603 H CA 2.135 57.864 56.048 -0.531 0.000 1.256 603 H CB -0.342 28.974 29.762 -0.743 0.000 1.359 603 H HN 0.587 nan 8.280 nan 0.000 0.487 604 Y N 0.656 120.831 120.300 -0.208 0.000 2.496 604 Y HA 0.200 4.751 4.550 0.001 0.000 0.313 604 Y C 0.880 176.730 175.900 -0.083 0.000 1.184 604 Y CA -0.186 57.629 58.100 -0.476 0.000 1.275 604 Y CB 0.335 38.605 38.460 -0.315 0.000 1.103 604 Y HN -0.006 nan 8.280 nan 0.000 0.513 605 S N -1.516 114.240 115.700 0.092 0.000 2.874 605 S HA 0.255 4.726 4.470 0.001 0.000 0.318 605 S C -0.617 174.107 174.600 0.207 0.000 1.109 605 S CA -0.897 57.455 58.200 0.254 0.000 0.878 605 S CB 1.043 64.431 63.200 0.313 0.000 1.307 605 S HN 0.233 nan 8.310 nan 0.000 0.592 606 D N 0.822 121.388 120.400 0.276 0.000 2.697 606 D HA -0.132 4.508 4.640 0.001 0.000 0.238 606 D C 0.781 177.205 176.300 0.208 0.000 1.152 606 D CA 1.363 55.501 54.000 0.229 0.000 0.666 606 D CB -1.521 39.361 40.800 0.137 0.000 1.037 606 D HN 1.186 nan 8.370 nan 0.000 0.423 607 G N -0.566 108.431 108.800 0.327 0.000 2.148 607 G HA2 -0.470 3.490 3.960 0.001 0.000 0.254 607 G HA3 -0.470 3.490 3.960 0.001 0.000 0.254 607 G C 0.641 175.515 174.900 -0.043 0.000 0.981 607 G CA 0.915 46.094 45.100 0.132 0.000 0.670 607 G HN 0.549 nan 8.290 nan 0.000 0.528 608 Y N -0.332 119.912 120.300 -0.093 0.000 2.081 608 Y HA -0.115 4.436 4.550 0.001 0.000 0.280 608 Y C 2.583 178.257 175.900 -0.377 0.000 1.163 608 Y CA 2.707 60.670 58.100 -0.229 0.000 1.135 608 Y CB -0.371 37.855 38.460 -0.391 0.000 0.970 608 Y HN 0.370 nan 8.280 nan 0.000 0.498 609 W N 1.075 122.331 121.300 -0.074 0.000 2.358 609 W HA -0.124 4.537 4.660 0.001 0.000 0.303 609 W C -0.324 175.843 176.519 -0.586 0.000 1.208 609 W CA 1.232 58.399 57.345 -0.296 0.000 1.274 609 W CB -1.485 27.917 29.460 -0.097 0.000 1.138 609 W HN 0.192 nan 8.180 nan 0.000 0.515 610 P HA -0.006 nan 4.420 nan 0.000 0.236 610 P C 1.015 178.055 177.300 -0.435 0.000 1.177 610 P CA 1.770 64.487 63.100 -0.637 0.000 0.773 610 P CB 0.073 31.133 31.700 -1.067 0.000 0.878 611 T N -4.298 109.995 114.554 -0.435 0.000 3.010 611 T HA 0.150 4.500 4.350 0.001 0.000 0.257 611 T C 0.659 174.955 174.700 -0.673 0.000 1.020 611 T CA -0.213 61.650 62.100 -0.395 0.000 0.938 611 T CB -0.570 68.176 68.868 -0.203 0.000 1.049 611 T HN -0.115 nan 8.240 nan 0.000 0.522 612 V N 3.222 122.634 119.914 -0.836 0.000 2.715 612 V HA 0.342 4.463 4.120 0.001 0.000 0.299 612 V C 0.035 175.749 176.094 -0.635 0.000 1.054 612 V CA -0.774 60.875 62.300 -1.085 0.000 1.077 612 V CB 0.647 31.779 31.823 -1.152 0.000 0.972 612 V HN 0.484 nan 8.190 nan 0.000 0.484 613 N N 8.581 126.953 118.700 -0.547 0.000 2.400 613 N HA 0.213 4.954 4.740 0.001 0.000 0.267 613 N C -1.342 174.100 175.510 -0.114 0.000 1.208 613 N CA -1.788 51.118 53.050 -0.241 0.000 0.951 613 N CB 1.278 39.670 38.487 -0.159 0.000 1.227 613 N HN 0.515 nan 8.380 nan 0.000 0.488 614 P HA -0.138 nan 4.420 nan 0.000 0.225 614 P C 0.502 177.905 177.300 0.171 0.000 1.148 614 P CA 1.133 64.208 63.100 -0.042 0.000 0.779 614 P CB 0.054 31.614 31.700 -0.233 0.000 0.780 615 Y N 0.584 121.052 120.300 0.280 0.000 2.544 615 Y HA 0.084 4.635 4.550 0.001 0.000 0.286 615 Y C 1.445 177.448 175.900 0.171 0.000 1.141 615 Y CA 0.820 59.108 58.100 0.313 0.000 1.299 615 Y CB -0.102 38.455 38.460 0.162 0.000 1.030 615 Y HN -0.067 nan 8.280 nan 0.000 0.543 616 K N 0.076 120.611 120.400 0.225 0.000 3.237 616 K HA 0.216 4.537 4.320 0.001 0.000 0.197 616 K C -0.610 176.038 176.600 0.079 0.000 1.133 616 K CA -0.328 56.027 56.287 0.113 0.000 0.944 616 K CB 0.370 32.902 32.500 0.054 0.000 0.952 616 K HN -0.058 nan 8.250 nan 0.000 0.515 617 M N 1.786 121.465 119.600 0.132 0.000 2.248 617 M HA 0.120 4.601 4.480 0.001 0.000 0.345 617 M C -2.319 174.024 176.300 0.072 0.000 1.243 617 M CA -2.889 52.469 55.300 0.098 0.000 1.090 617 M CB -0.698 32.004 32.600 0.170 0.000 1.683 617 M HN -0.060 nan 8.290 nan 0.000 0.450 618 P HA 0.075 nan 4.420 nan 0.000 0.258 618 P C 0.863 178.308 177.300 0.241 0.000 1.172 618 P CA 1.241 64.327 63.100 -0.022 0.000 0.762 618 P CB 0.245 31.668 31.700 -0.461 0.000 0.764 619 G N 1.921 111.001 108.800 0.467 0.000 2.225 619 G HA2 -0.243 3.718 3.960 0.001 0.000 0.254 619 G HA3 -0.243 3.718 3.960 0.001 0.000 0.254 619 G C 0.423 175.565 174.900 0.404 0.000 0.988 619 G CA 0.347 45.820 45.100 0.622 0.000 0.625 619 G HN 0.754 nan 8.290 nan 0.000 0.527 620 T N -1.139 113.562 114.554 0.245 0.000 2.849 620 T HA 0.593 4.943 4.350 0.001 0.000 0.284 620 T C -0.008 174.732 174.700 0.067 0.000 1.004 620 T CA 0.563 62.739 62.100 0.128 0.000 1.021 620 T CB 2.007 70.930 68.868 0.092 0.000 1.013 620 T HN 0.388 nan 8.240 nan 0.000 0.527 621 T N 2.796 117.349 114.554 -0.002 0.000 2.833 621 T HA 0.522 4.872 4.350 0.001 0.000 0.297 621 T C -0.711 174.089 174.700 0.167 0.000 1.015 621 T CA -0.732 61.447 62.100 0.130 0.000 0.963 621 T CB 0.930 69.941 68.868 0.238 0.000 0.955 621 T HN 0.659 nan 8.240 nan 0.000 0.449 622 E N 1.525 121.793 120.200 0.113 0.000 2.445 622 E HA 0.568 4.918 4.350 0.001 0.000 0.273 622 E C -0.322 176.347 176.600 0.116 0.000 0.961 622 E CA -0.843 55.604 56.400 0.079 0.000 0.807 622 E CB 1.426 30.981 29.700 -0.242 0.000 1.362 622 E HN 0.622 nan 8.360 nan 0.000 0.453 623 T N -2.169 112.468 114.554 0.138 0.000 2.945 623 T HA 0.255 4.605 4.350 0.001 0.000 0.286 623 T C 0.515 175.277 174.700 0.103 0.000 1.025 623 T CA -0.758 61.411 62.100 0.115 0.000 1.039 623 T CB 0.931 69.865 68.868 0.111 0.000 1.068 623 T HN 0.441 nan 8.240 nan 0.000 0.497 624 D N 0.192 120.616 120.400 0.040 0.000 2.332 624 D HA 0.122 4.763 4.640 0.001 0.000 0.244 624 D C 0.778 177.039 176.300 -0.066 0.000 1.136 624 D CA -0.428 53.549 54.000 -0.039 0.000 0.884 624 D CB -0.743 40.014 40.800 -0.071 0.000 0.906 624 D HN 0.765 nan 8.370 nan 0.000 0.520 625 A N 0.772 123.632 122.820 0.065 0.000 2.498 625 A HA 0.143 4.463 4.320 0.001 0.000 0.239 625 A C 0.499 178.108 177.584 0.042 0.000 1.068 625 A CA -0.215 51.887 52.037 0.108 0.000 0.766 625 A CB 0.316 19.490 19.000 0.289 0.000 1.003 625 A HN 0.172 nan 8.150 nan 0.000 0.497 626 K N 1.358 121.746 120.400 -0.021 0.000 2.237 626 K HA 0.328 4.649 4.320 0.001 0.000 0.270 626 K C -0.174 176.372 176.600 -0.090 0.000 1.015 626 K CA -0.316 55.930 56.287 -0.069 0.000 0.949 626 K CB 0.497 32.962 32.500 -0.057 0.000 0.976 626 K HN 0.565 nan 8.250 nan 0.000 0.472 627 R N 0.627 120.970 120.500 -0.261 0.000 2.778 627 R HA 0.467 4.808 4.340 0.001 0.000 0.277 627 R C -0.706 175.269 176.300 -0.542 0.000 0.977 627 R CA -0.938 54.648 56.100 -0.856 0.000 0.950 627 R CB 1.775 30.778 30.300 -2.161 0.000 1.165 627 R HN 0.734 nan 8.270 nan 0.000 0.474 628 A N 0.950 123.547 122.820 -0.371 0.000 2.309 628 A HA 0.276 4.597 4.320 0.001 0.000 0.298 628 A C 0.204 177.864 177.584 0.126 0.000 1.165 628 A CA -0.458 51.539 52.037 -0.067 0.000 0.821 628 A CB 0.418 19.403 19.000 -0.025 0.000 1.102 628 A HN 0.655 nan 8.150 nan 0.000 0.500 629 D N 0.960 121.454 120.400 0.156 0.000 2.263 629 D HA -0.117 4.524 4.640 0.001 0.000 0.208 629 D C 1.942 178.259 176.300 0.028 0.000 0.971 629 D CA 2.063 56.129 54.000 0.110 0.000 0.867 629 D CB 0.124 40.959 40.800 0.059 0.000 0.929 629 D HN 0.583 nan 8.370 nan 0.000 0.492 630 S N -0.739 115.027 115.700 0.110 0.000 2.593 630 S HA 0.041 4.512 4.470 0.001 0.000 0.217 630 S C 0.514 175.250 174.600 0.228 0.000 0.966 630 S CA -0.479 57.836 58.200 0.191 0.000 0.914 630 S CB 0.232 63.512 63.200 0.135 0.000 0.776 630 S HN -0.068 nan 8.310 nan 0.000 0.523 631 D N 2.859 123.374 120.400 0.191 0.000 2.354 631 D HA 0.421 5.061 4.640 0.001 0.000 0.238 631 D C 0.541 177.044 176.300 0.339 0.000 1.250 631 D CA 0.800 54.934 54.000 0.222 0.000 0.911 631 D CB 0.887 41.796 40.800 0.181 0.000 1.163 631 D HN 0.502 nan 8.370 nan 0.000 0.456 632 T N -2.875 111.832 114.554 0.255 0.000 2.896 632 T HA 0.693 5.043 4.350 0.001 0.000 0.297 632 T C 0.321 175.062 174.700 0.069 0.000 1.108 632 T CA -1.094 61.064 62.100 0.096 0.000 1.004 632 T CB 1.449 70.330 68.868 0.021 0.000 1.159 632 T HN 0.269 nan 8.240 nan 0.000 0.499 633 G N 0.956 109.603 108.800 -0.255 0.000 2.599 633 G HA2 0.594 4.554 3.960 0.001 0.000 0.264 633 G HA3 0.594 4.554 3.960 0.001 0.000 0.264 633 G C -0.566 174.375 174.900 0.067 0.000 1.200 633 G CA -0.757 44.340 45.100 -0.005 0.000 0.896 633 G HN 0.936 nan 8.290 nan 0.000 0.536 634 K N -1.174 119.314 120.400 0.147 0.000 2.430 634 K HA 0.621 4.941 4.320 0.001 0.000 0.268 634 K C -0.241 176.518 176.600 0.264 0.000 1.043 634 K CA -0.799 55.596 56.287 0.181 0.000 0.899 634 K CB 1.096 33.731 32.500 0.226 0.000 1.472 634 K HN 0.543 nan 8.250 nan 0.000 0.451 635 V N -1.763 118.325 119.914 0.291 0.000 3.513 635 V HA 0.507 4.628 4.120 0.001 0.000 0.297 635 V C 0.055 176.433 176.094 0.473 0.000 1.058 635 V CA -1.026 61.513 62.300 0.397 0.000 1.003 635 V CB 0.620 32.578 31.823 0.227 0.000 1.236 635 V HN 0.628 nan 8.190 nan 0.000 0.436 636 L N 1.072 122.463 121.223 0.280 0.000 2.360 636 L HA 0.592 4.932 4.340 0.001 0.000 0.271 636 L C -1.883 175.021 176.870 0.057 0.000 1.057 636 L CA -1.505 53.361 54.840 0.042 0.000 0.803 636 L CB 1.380 43.209 42.059 -0.385 0.000 1.207 636 L HN 0.462 nan 8.230 nan 0.000 0.445 637 P HA -0.031 nan 4.420 nan 0.000 0.215 637 P C -0.041 177.284 177.300 0.042 0.000 1.157 637 P CA 0.666 63.794 63.100 0.047 0.000 0.859 637 P CB 0.196 31.918 31.700 0.036 0.000 0.786 638 S N -1.304 114.421 115.700 0.041 0.000 2.585 638 S HA 0.390 4.861 4.470 0.001 0.000 0.273 638 S C 1.019 175.657 174.600 0.063 0.000 1.339 638 S CA -0.062 58.180 58.200 0.071 0.000 1.028 638 S CB 0.300 63.576 63.200 0.126 0.000 0.906 638 S HN 0.061 nan 8.310 nan 0.000 0.528 639 A N 3.237 126.109 122.820 0.087 0.000 2.390 639 A HA 0.331 4.652 4.320 0.001 0.000 0.232 639 A C 0.346 177.986 177.584 0.093 0.000 1.233 639 A CA -0.301 51.775 52.037 0.066 0.000 0.907 639 A CB -0.188 18.843 19.000 0.052 0.000 0.967 639 A HN 0.715 nan 8.150 nan 0.000 0.512 640 F N 1.726 121.649 119.950 -0.045 0.000 2.640 640 F HA 0.444 4.971 4.527 0.001 0.000 0.354 640 F C -0.492 175.284 175.800 -0.040 0.000 1.213 640 F CA -0.438 57.514 58.000 -0.080 0.000 1.314 640 F CB 0.038 38.963 39.000 -0.125 0.000 1.679 640 F HN -0.082 nan 8.300 nan 0.000 0.622 641 V N 2.003 121.798 119.914 -0.199 0.000 2.623 641 V HA 0.916 5.036 4.120 0.001 0.000 0.304 641 V C 0.039 176.052 176.094 -0.136 0.000 1.054 641 V CA -0.446 61.769 62.300 -0.142 0.000 0.882 641 V CB 1.275 33.084 31.823 -0.022 0.000 1.002 641 V HN 0.602 nan 8.190 nan 0.000 0.424 642 G N 2.403 111.131 108.800 -0.120 0.000 2.356 642 G HA2 0.598 4.558 3.960 0.001 0.000 0.294 642 G HA3 0.598 4.558 3.960 0.001 0.000 0.294 642 G C -1.284 173.595 174.900 -0.036 0.000 1.423 642 G CA -0.389 44.709 45.100 -0.003 0.000 0.806 642 G HN 0.550 nan 8.290 nan 0.000 0.527 643 T N 0.092 114.584 114.554 -0.105 0.000 2.886 643 T HA 0.642 4.992 4.350 0.001 0.000 0.292 643 T C -0.583 173.942 174.700 -0.291 0.000 1.012 643 T CA -0.401 61.600 62.100 -0.164 0.000 0.982 643 T CB 1.674 70.449 68.868 -0.156 0.000 1.018 643 T HN 0.752 nan 8.240 nan 0.000 0.451 644 S N 2.415 118.021 115.700 -0.156 0.000 2.498 644 S HA 0.429 4.899 4.470 0.001 0.000 0.324 644 S C -0.425 174.123 174.600 -0.087 0.000 1.071 644 S CA -0.787 57.329 58.200 -0.139 0.000 1.113 644 S CB 0.150 63.325 63.200 -0.042 0.000 0.976 644 S HN 0.615 nan 8.310 nan 0.000 0.462 645 K N 4.953 125.284 120.400 -0.116 0.000 2.253 645 K HA 0.304 4.625 4.320 0.001 0.000 0.277 645 K C 0.597 177.183 176.600 -0.023 0.000 1.053 645 K CA -0.644 55.604 56.287 -0.066 0.000 0.892 645 K CB 0.908 33.350 32.500 -0.097 0.000 1.102 645 K HN 0.601 nan 8.250 nan 0.000 0.469 646 L N 4.022 125.254 121.223 0.015 0.000 2.145 646 L HA 0.124 4.465 4.340 0.001 0.000 0.201 646 L C -0.073 176.810 176.870 0.022 0.000 1.075 646 L CA 1.726 56.587 54.840 0.035 0.000 0.773 646 L CB -0.033 42.069 42.059 0.072 0.000 0.936 646 L HN 0.943 nan 8.230 nan 0.000 0.451 647 D N -3.832 116.578 120.400 0.018 0.000 3.009 647 D HA 0.147 4.787 4.640 0.001 0.000 0.318 647 D C -0.037 176.267 176.300 0.007 0.000 1.273 647 D CA -0.353 53.654 54.000 0.012 0.000 1.001 647 D CB -0.318 40.491 40.800 0.016 0.000 1.411 647 D HN -0.159 nan 8.370 nan 0.000 0.577 648 D N -1.007 119.399 120.400 0.009 0.000 2.349 648 D HA 0.241 4.882 4.640 0.001 0.000 0.224 648 D C 0.726 177.018 176.300 -0.013 0.000 1.029 648 D CA 0.689 54.698 54.000 0.015 0.000 0.879 648 D CB 0.659 41.480 40.800 0.035 0.000 0.906 648 D HN 0.437 nan 8.370 nan 0.000 0.528 649 A N -0.026 122.784 122.820 -0.017 0.000 2.340 649 A HA 0.113 4.433 4.320 0.001 0.000 0.213 649 A C 0.515 178.095 177.584 -0.006 0.000 1.299 649 A CA -0.194 51.822 52.037 -0.035 0.000 0.994 649 A CB 0.684 19.657 19.000 -0.045 0.000 1.132 649 A HN -0.039 nan 8.150 nan 0.000 0.519 650 N N 0.397 119.106 118.700 0.016 0.000 2.354 650 N HA 0.668 5.408 4.740 0.001 0.000 0.287 650 N C -0.807 174.732 175.510 0.048 0.000 1.016 650 N CA 0.356 53.432 53.050 0.044 0.000 0.871 650 N CB 2.064 40.588 38.487 0.062 0.000 1.299 650 N HN 0.388 nan 8.380 nan 0.000 0.482 651 A N 1.041 123.895 122.820 0.057 0.000 2.599 651 A HA 0.830 5.150 4.320 0.001 0.000 0.290 651 A C -1.086 176.519 177.584 0.035 0.000 1.101 651 A CA -0.526 51.532 52.037 0.035 0.000 0.674 651 A CB 1.627 20.628 19.000 0.003 0.000 1.277 651 A HN 0.388 nan 8.150 nan 0.000 0.419 652 T N 0.232 114.781 114.554 -0.008 0.000 2.952 652 T HA 0.775 5.125 4.350 0.001 0.000 0.305 652 T C -0.452 174.192 174.700 -0.093 0.000 1.064 652 T CA 0.236 62.275 62.100 -0.102 0.000 1.008 652 T CB 1.685 70.516 68.868 -0.061 0.000 1.078 652 T HN 1.830 nan 8.240 nan 0.000 0.459 653 A N 1.601 124.367 122.820 -0.090 0.000 2.469 653 A HA 0.975 5.295 4.320 0.001 0.000 0.299 653 A C -0.471 177.182 177.584 0.115 0.000 1.098 653 A CA -0.826 51.234 52.037 0.037 0.000 0.737 653 A CB 2.296 21.364 19.000 0.114 0.000 1.312 653 A HN 0.749 nan 8.150 nan 0.000 0.414 654 T N 0.475 115.093 114.554 0.105 0.000 2.868 654 T HA 0.660 5.011 4.350 0.001 0.000 0.306 654 T C -1.473 173.327 174.700 0.167 0.000 1.224 654 T CA -0.364 61.801 62.100 0.109 0.000 1.012 654 T CB 1.143 69.970 68.868 -0.069 0.000 1.221 654 T HN 1.010 nan 8.240 nan 0.000 0.499 655 M N 3.538 123.315 119.600 0.294 0.000 2.183 655 M HA 0.389 4.870 4.480 0.001 0.000 0.277 655 M C -1.649 174.887 176.300 0.394 0.000 0.995 655 M CA -0.625 54.866 55.300 0.318 0.000 0.969 655 M CB 1.662 34.542 32.600 0.468 0.000 1.659 655 M HN 0.497 nan 8.290 nan 0.000 0.462 656 D N 4.845 125.479 120.400 0.391 0.000 2.470 656 D HA 0.133 4.773 4.640 0.001 0.000 0.226 656 D C -1.277 175.239 176.300 0.360 0.000 1.196 656 D CA 0.209 54.476 54.000 0.446 0.000 0.979 656 D CB -0.053 41.008 40.800 0.433 0.000 1.059 656 D HN 0.457 nan 8.370 nan 0.000 0.515 657 F N 2.492 122.585 119.950 0.238 0.000 2.412 657 F HA 0.364 4.891 4.527 0.001 0.000 0.348 657 F C -0.125 175.784 175.800 0.181 0.000 1.102 657 F CA -0.091 58.030 58.000 0.203 0.000 1.196 657 F CB 1.006 40.162 39.000 0.260 0.000 1.144 657 F HN 0.006 nan 8.300 nan 0.000 0.541 658 T N 5.993 120.111 114.554 -0.726 0.000 2.952 658 T HA 0.249 4.599 4.350 0.001 0.000 0.305 658 T C -0.615 173.462 174.700 -1.038 0.000 1.064 658 T CA -1.073 60.644 62.100 -0.637 0.000 1.008 658 T CB 1.238 69.968 68.868 -0.230 0.000 1.078 658 T HN 0.696 nan 8.240 nan 0.000 0.459 659 N N 2.089 120.325 118.700 -0.773 0.000 2.347 659 N HA 0.050 4.790 4.740 0.001 0.000 0.253 659 N C 1.718 177.206 175.510 -0.037 0.000 1.274 659 N CA -0.941 51.910 53.050 -0.332 0.000 0.941 659 N CB 0.537 39.005 38.487 -0.032 0.000 1.200 659 N HN 0.921 nan 8.380 nan 0.000 0.514 660 W N 1.125 122.544 121.300 0.197 0.000 2.331 660 W HA -0.182 4.479 4.660 0.001 0.000 0.291 660 W C 0.415 177.010 176.519 0.126 0.000 1.214 660 W CA 1.463 58.931 57.345 0.205 0.000 1.228 660 W CB -1.054 28.558 29.460 0.252 0.000 1.135 660 W HN 0.787 nan 8.180 nan 0.000 0.537 661 N N 0.365 118.454 118.700 -1.018 0.000 2.214 661 N HA 0.083 4.823 4.740 0.001 0.000 0.214 661 N C 0.035 175.270 175.510 -0.458 0.000 1.132 661 N CA 0.002 52.510 53.050 -0.904 0.000 0.856 661 N CB -0.143 37.356 38.487 -1.646 0.000 1.020 661 N HN -0.128 nan 8.380 nan 0.000 0.509 662 Q N 0.300 119.904 119.800 -0.326 0.000 2.478 662 Q HA -0.139 4.202 4.340 0.001 0.000 0.286 662 Q C 0.150 176.037 176.000 -0.189 0.000 1.299 662 Q CA 1.455 57.136 55.803 -0.204 0.000 0.826 662 Q CB -2.376 26.286 28.738 -0.127 0.000 1.199 662 Q HN 0.737 nan 8.270 nan 0.000 0.451 663 T N -3.380 111.043 114.554 -0.219 0.000 3.084 663 T HA 0.528 4.878 4.350 0.001 0.000 0.270 663 T C 0.250 174.897 174.700 -0.089 0.000 1.008 663 T CA 0.069 62.083 62.100 -0.145 0.000 0.900 663 T CB 0.478 69.254 68.868 -0.153 0.000 1.084 663 T HN 0.335 nan 8.240 nan 0.000 0.538 664 L N 1.619 122.783 121.223 -0.097 0.000 2.565 664 L HA 0.679 5.020 4.340 0.001 0.000 0.261 664 L C -1.248 175.582 176.870 -0.067 0.000 0.932 664 L CA -0.371 54.453 54.840 -0.028 0.000 0.878 664 L CB 2.169 44.265 42.059 0.062 0.000 1.333 664 L HN 0.361 nan 8.230 nan 0.000 0.409 665 T N 1.303 115.859 114.554 0.004 0.000 2.907 665 T HA 1.005 5.356 4.350 0.001 0.000 0.290 665 T C -0.620 174.168 174.700 0.146 0.000 1.066 665 T CA -0.300 61.819 62.100 0.033 0.000 1.012 665 T CB 2.172 71.048 68.868 0.014 0.000 1.184 665 T HN 1.390 nan 8.240 nan 0.000 0.522 666 A N 1.006 123.966 122.820 0.233 0.000 2.596 666 A HA 0.508 4.828 4.320 0.001 0.000 0.305 666 A C -1.657 176.112 177.584 0.309 0.000 1.032 666 A CA -0.946 51.203 52.037 0.185 0.000 0.776 666 A CB 0.261 19.415 19.000 0.256 0.000 1.253 666 A HN 0.949 nan 8.150 nan 0.000 0.402 667 H N 1.952 120.996 119.070 -0.044 0.000 2.782 667 H HA 0.398 4.955 4.556 0.001 0.000 0.285 667 H C -0.205 175.093 175.328 -0.050 0.000 1.093 667 H CA 0.247 56.261 56.048 -0.057 0.000 1.410 667 H CB 0.627 30.157 29.762 -0.388 0.000 1.439 667 H HN 0.480 nan 8.280 nan 0.000 0.469 668 K N 2.452 122.921 120.400 0.115 0.000 2.265 668 K HA 0.510 4.830 4.320 0.001 0.000 0.267 668 K C -0.380 175.883 176.600 -0.561 0.000 0.994 668 K CA -0.503 55.645 56.287 -0.233 0.000 0.860 668 K CB 1.504 33.903 32.500 -0.169 0.000 1.099 668 K HN 0.405 nan 8.250 nan 0.000 0.448 669 S N 1.932 117.220 115.700 -0.687 0.000 2.548 669 S HA 0.526 4.996 4.470 0.001 0.000 0.286 669 S C -1.269 172.844 174.600 -0.812 0.000 1.098 669 S CA -0.933 56.914 58.200 -0.588 0.000 0.930 669 S CB 1.200 64.324 63.200 -0.128 0.000 1.070 669 S HN 0.435 nan 8.310 nan 0.000 0.480 670 W N 1.877 122.942 121.300 -0.392 0.000 2.785 670 W HA 0.497 5.157 4.660 0.001 0.000 0.333 670 W C -1.861 174.247 176.519 -0.685 0.000 1.062 670 W CA -0.833 56.271 57.345 -0.403 0.000 1.233 670 W CB 1.270 30.564 29.460 -0.277 0.000 1.413 670 W HN 0.522 nan 8.180 nan 0.000 0.489 671 F N 2.652 122.646 119.950 0.073 0.000 2.430 671 F HA 0.390 4.917 4.527 0.001 0.000 0.362 671 F C 0.255 176.065 175.800 0.017 0.000 1.103 671 F CA -0.803 57.237 58.000 0.066 0.000 1.045 671 F CB 0.833 39.868 39.000 0.058 0.000 1.276 671 F HN -0.068 nan 8.300 nan 0.000 0.444 672 M N 5.048 124.706 119.600 0.098 0.000 2.105 672 M HA 0.362 4.842 4.480 0.001 0.000 0.350 672 M C -0.667 175.675 176.300 0.071 0.000 1.308 672 M CA 0.213 55.530 55.300 0.029 0.000 1.108 672 M CB 0.560 33.178 32.600 0.030 0.000 1.622 672 M HN 0.439 nan 8.290 nan 0.000 0.468 673 L N 4.357 125.617 121.223 0.061 0.000 2.495 673 L HA 0.335 4.675 4.340 0.001 0.000 0.248 673 L C 0.735 177.624 176.870 0.030 0.000 1.229 673 L CA -0.385 54.489 54.840 0.055 0.000 0.942 673 L CB 0.450 42.549 42.059 0.066 0.000 1.242 673 L HN 0.861 nan 8.230 nan 0.000 0.484 674 K N 1.496 121.901 120.400 0.009 0.000 10.660 674 K HA -0.306 4.014 4.320 0.001 0.000 0.523 674 K C 0.641 177.240 176.600 -0.002 0.000 0.379 674 K CA 2.633 58.907 56.287 -0.021 0.000 1.947 674 K CB -0.564 31.921 32.500 -0.025 0.000 0.758 674 K HN 0.832 nan 8.250 nan 0.000 1.189 675 D N 0.385 120.832 120.400 0.079 0.000 2.535 675 D HA 0.198 4.838 4.640 0.001 0.000 0.229 675 D C -0.357 176.103 176.300 0.267 0.000 1.238 675 D CA -0.036 54.100 54.000 0.226 0.000 0.824 675 D CB 0.306 41.195 40.800 0.149 0.000 1.045 675 D HN 0.567 nan 8.370 nan 0.000 0.500 676 K N -0.916 119.585 120.400 0.167 0.000 2.642 676 K HA 0.563 4.884 4.320 0.001 0.000 0.290 676 K C -1.868 174.731 176.600 -0.002 0.000 1.006 676 K CA -0.930 55.391 56.287 0.057 0.000 0.869 676 K CB 0.838 33.376 32.500 0.063 0.000 1.499 676 K HN -0.116 nan 8.250 nan 0.000 0.403 677 I N 0.914 121.447 120.570 -0.062 0.000 2.608 677 I HA 0.543 4.714 4.170 0.001 0.000 0.295 677 I C -0.828 175.368 176.117 0.132 0.000 1.049 677 I CA -0.579 60.657 61.300 -0.106 0.000 1.063 677 I CB 2.133 39.782 38.000 -0.586 0.000 1.248 677 I HN 0.856 nan 8.210 nan 0.000 0.424 678 A N 5.112 128.064 122.820 0.220 0.000 2.317 678 A HA 0.842 5.163 4.320 0.001 0.000 0.327 678 A C -1.288 176.476 177.584 0.299 0.000 1.178 678 A CA -0.278 51.987 52.037 0.380 0.000 0.817 678 A CB 0.309 19.521 19.000 0.353 0.000 1.189 678 A HN 0.434 nan 8.150 nan 0.000 0.489 679 F N 1.737 121.695 119.950 0.012 0.000 2.444 679 F HA 0.599 5.126 4.527 0.001 0.000 0.342 679 F C -0.031 175.709 175.800 -0.100 0.000 1.121 679 F CA -0.451 57.444 58.000 -0.174 0.000 0.997 679 F CB 1.638 40.217 39.000 -0.701 0.000 1.130 679 F HN 0.331 nan 8.300 nan 0.000 0.454 680 L N 2.573 123.830 121.223 0.057 0.000 2.408 680 L HA 0.868 5.208 4.340 0.001 0.000 0.268 680 L C -0.163 176.403 176.870 -0.507 0.000 0.986 680 L CA -0.798 53.964 54.840 -0.131 0.000 0.820 680 L CB 2.410 44.475 42.059 0.010 0.000 1.303 680 L HN 0.747 nan 8.230 nan 0.000 0.411 681 G N 0.798 108.964 108.800 -1.055 0.000 2.719 681 G HA2 0.635 4.595 3.960 0.001 0.000 0.298 681 G HA3 0.635 4.595 3.960 0.001 0.000 0.298 681 G C -1.041 173.469 174.900 -0.651 0.000 1.433 681 G CA -0.192 44.240 45.100 -1.115 0.000 1.034 681 G HN 0.612 nan 8.290 nan 0.000 0.517 682 S N 0.445 115.928 115.700 -0.362 0.000 2.794 682 S HA 0.586 5.056 4.470 0.001 0.000 0.299 682 S C 0.426 174.825 174.600 -0.335 0.000 1.179 682 S CA -0.218 57.805 58.200 -0.296 0.000 0.838 682 S CB 1.185 64.249 63.200 -0.228 0.000 1.206 682 S HN 1.251 nan 8.310 nan 0.000 0.523 683 N N -0.365 118.126 118.700 -0.349 0.000 2.721 683 N HA -0.147 4.593 4.740 0.001 0.000 0.249 683 N C -1.010 174.346 175.510 -0.257 0.000 1.072 683 N CA 0.273 53.085 53.050 -0.396 0.000 0.710 683 N CB -1.184 36.809 38.487 -0.823 0.000 0.993 683 N HN 0.637 nan 8.380 nan 0.000 0.547 684 I N 1.734 122.191 120.570 -0.188 0.000 2.421 684 I HA 0.026 4.197 4.170 0.001 0.000 0.291 684 I C 0.493 176.570 176.117 -0.067 0.000 1.089 684 I CA 0.535 61.766 61.300 -0.114 0.000 1.354 684 I CB 0.796 38.679 38.000 -0.196 0.000 1.413 684 I HN 0.204 nan 8.210 nan 0.000 0.513 685 Q N 5.097 124.878 119.800 -0.031 0.000 2.413 685 Q HA 0.513 4.853 4.340 0.001 0.000 0.276 685 Q C -0.843 175.161 176.000 0.007 0.000 1.099 685 Q CA -1.048 54.743 55.803 -0.021 0.000 0.814 685 Q CB 2.728 31.441 28.738 -0.042 0.000 1.379 685 Q HN 0.532 nan 8.270 nan 0.000 0.436 686 N N -0.480 118.223 118.700 0.005 0.000 2.478 686 N HA 0.151 4.891 4.740 0.001 0.000 0.291 686 N C -0.715 174.790 175.510 -0.008 0.000 1.090 686 N CA -0.351 52.704 53.050 0.008 0.000 0.911 686 N CB 1.743 40.252 38.487 0.037 0.000 1.546 686 N HN 0.596 nan 8.380 nan 0.000 0.500 687 T N -0.573 113.966 114.554 -0.025 0.000 3.122 687 T HA 0.230 4.581 4.350 0.001 0.000 0.250 687 T C 0.596 175.277 174.700 -0.031 0.000 1.067 687 T CA 0.183 62.265 62.100 -0.030 0.000 0.966 687 T CB -0.426 68.418 68.868 -0.040 0.000 1.002 687 T HN 0.459 nan 8.240 nan 0.000 0.542 688 S N 0.779 116.462 115.700 -0.028 0.000 2.747 688 S HA 0.447 4.917 4.470 0.001 0.000 0.300 688 S C 1.267 175.861 174.600 -0.009 0.000 1.121 688 S CA 0.001 58.185 58.200 -0.026 0.000 0.995 688 S CB 1.340 64.519 63.200 -0.035 0.000 1.113 688 S HN 0.317 nan 8.310 nan 0.000 0.547 689 T N -1.886 112.663 114.554 -0.007 0.000 3.081 689 T HA 0.137 4.488 4.350 0.001 0.000 0.255 689 T C 0.009 174.710 174.700 0.002 0.000 1.113 689 T CA -0.018 62.080 62.100 -0.002 0.000 1.082 689 T CB -0.625 68.240 68.868 -0.004 0.000 0.939 689 T HN 0.590 nan 8.240 nan 0.000 0.506 690 D N 3.536 123.940 120.400 0.007 0.000 2.382 690 D HA 0.195 4.836 4.640 0.001 0.000 0.240 690 D C 0.655 176.967 176.300 0.019 0.000 1.146 690 D CA 0.224 54.231 54.000 0.013 0.000 0.897 690 D CB 1.033 41.850 40.800 0.027 0.000 1.197 690 D HN 0.434 nan 8.370 nan 0.000 0.432 691 T N -2.167 112.396 114.554 0.014 0.000 2.910 691 T HA 0.572 4.922 4.350 0.001 0.000 0.293 691 T C -0.120 174.604 174.700 0.041 0.000 1.015 691 T CA -0.951 61.161 62.100 0.020 0.000 1.094 691 T CB 1.352 70.220 68.868 0.001 0.000 0.968 691 T HN 0.413 nan 8.240 nan 0.000 0.521 692 A N 1.254 124.114 122.820 0.066 0.000 2.350 692 A HA 0.957 5.277 4.320 0.001 0.000 0.324 692 A C -0.161 177.477 177.584 0.090 0.000 1.118 692 A CA -0.615 51.491 52.037 0.116 0.000 0.783 692 A CB 1.188 20.294 19.000 0.177 0.000 1.236 692 A HN 1.740 nan 8.150 nan 0.000 0.457 693 A N 0.666 123.541 122.820 0.093 0.000 2.601 693 A HA 0.778 5.099 4.320 0.001 0.000 0.291 693 A C -0.490 177.124 177.584 0.051 0.000 1.075 693 A CA -0.389 51.598 52.037 -0.083 0.000 0.671 693 A CB 0.802 19.725 19.000 -0.128 0.000 1.277 693 A HN 0.909 nan 8.150 nan 0.000 0.417 694 T N 1.498 116.048 114.554 -0.005 0.000 2.859 694 T HA 0.613 4.964 4.350 0.001 0.000 0.281 694 T C -0.247 174.442 174.700 -0.019 0.000 1.005 694 T CA -0.037 62.105 62.100 0.069 0.000 1.025 694 T CB 1.242 70.160 68.868 0.082 0.000 0.977 694 T HN 0.601 nan 8.240 nan 0.000 0.458 695 T N 3.570 118.130 114.554 0.010 0.000 2.738 695 T HA 0.320 4.670 4.350 0.001 0.000 0.298 695 T C 1.539 176.241 174.700 0.003 0.000 0.962 695 T CA -0.396 61.705 62.100 0.001 0.000 0.972 695 T CB 0.237 69.129 68.868 0.041 0.000 0.928 695 T HN 0.432 nan 8.240 nan 0.000 0.474 696 I N 1.398 121.897 120.570 -0.118 0.000 2.500 696 I HA 0.086 4.256 4.170 0.001 0.000 0.252 696 I C 0.844 176.933 176.117 -0.047 0.000 1.142 696 I CA 0.877 62.020 61.300 -0.261 0.000 1.451 696 I CB 0.277 37.924 38.000 -0.588 0.000 1.093 696 I HN 0.516 nan 8.210 nan 0.000 0.430 697 D N -0.446 119.925 120.400 -0.049 0.000 2.751 697 D HA 0.128 4.769 4.640 0.001 0.000 0.236 697 D C -1.519 174.779 176.300 -0.002 0.000 1.196 697 D CA -0.426 53.598 54.000 0.040 0.000 0.741 697 D CB 1.329 42.176 40.800 0.079 0.000 1.474 697 D HN -0.071 nan 8.370 nan 0.000 0.452 698 Q N 2.653 122.482 119.800 0.048 0.000 2.533 698 Q HA 0.413 4.754 4.340 0.001 0.000 0.251 698 Q C -1.295 174.845 176.000 0.233 0.000 0.966 698 Q CA -0.701 55.176 55.803 0.123 0.000 0.714 698 Q CB 1.236 30.025 28.738 0.084 0.000 1.284 698 Q HN 0.204 nan 8.270 nan 0.000 0.478 699 R N 2.159 122.761 120.500 0.170 0.000 2.393 699 R HA 0.294 4.635 4.340 0.001 0.000 0.310 699 R C -1.034 175.180 176.300 -0.143 0.000 0.968 699 R CA -0.418 55.775 56.100 0.156 0.000 0.867 699 R CB 1.057 31.370 30.300 0.022 0.000 1.124 699 R HN 0.325 nan 8.270 nan 0.000 0.450 700 K N 5.125 125.261 120.400 -0.439 0.000 2.349 700 K HA 0.197 4.518 4.320 0.001 0.000 0.289 700 K C -0.635 175.638 176.600 -0.545 0.000 1.064 700 K CA -0.212 55.328 56.287 -1.245 0.000 0.947 700 K CB 0.338 31.986 32.500 -1.421 0.000 1.007 700 K HN 0.510 nan 8.250 nan 0.000 0.478 701 L N 3.257 124.215 121.223 -0.441 0.000 2.439 701 L HA 0.331 4.672 4.340 0.001 0.000 0.259 701 L C 0.128 176.886 176.870 -0.187 0.000 1.129 701 L CA -0.682 54.049 54.840 -0.181 0.000 0.803 701 L CB 1.114 43.121 42.059 -0.085 0.000 1.161 701 L HN 0.630 nan 8.230 nan 0.000 0.462 702 E N -0.287 119.827 120.200 -0.143 0.000 2.158 702 E HA 0.140 4.491 4.350 0.001 0.000 0.271 702 E C 0.385 176.921 176.600 -0.106 0.000 0.911 702 E CA -0.265 56.056 56.400 -0.131 0.000 0.767 702 E CB 1.824 31.442 29.700 -0.137 0.000 1.120 702 E HN 0.695 nan 8.360 nan 0.000 0.405 703 S N 1.748 117.401 115.700 -0.077 0.000 2.382 703 S HA -0.227 4.243 4.470 0.001 0.000 0.228 703 S C 1.941 176.506 174.600 -0.058 0.000 1.027 703 S CA 1.580 59.746 58.200 -0.057 0.000 0.991 703 S CB -0.289 62.889 63.200 -0.037 0.000 0.823 703 S HN 0.503 nan 8.310 nan 0.000 0.469 704 S N 2.503 118.167 115.700 -0.059 0.000 2.355 704 S HA -0.013 4.457 4.470 0.001 0.000 0.222 704 S C 0.878 175.429 174.600 -0.081 0.000 1.031 704 S CA 0.575 58.742 58.200 -0.055 0.000 0.993 704 S CB -0.823 62.351 63.200 -0.042 0.000 0.859 704 S HN 0.628 nan 8.310 nan 0.000 0.453 705 N N 3.564 122.190 118.700 -0.123 0.000 2.955 705 N HA 0.318 5.058 4.740 0.001 0.000 0.242 705 N C -2.823 172.530 175.510 -0.260 0.000 1.123 705 N CA -1.125 51.812 53.050 -0.189 0.000 0.949 705 N CB 1.351 39.699 38.487 -0.232 0.000 1.214 705 N HN 0.460 nan 8.380 nan 0.000 0.504 706 P HA 0.132 nan 4.420 nan 0.000 0.274 706 P C -1.058 176.118 177.300 -0.206 0.000 1.256 706 P CA 0.010 63.022 63.100 -0.146 0.000 0.795 706 P CB 1.022 32.683 31.700 -0.065 0.000 1.038 707 Y N -0.457 119.814 120.300 -0.048 0.000 2.528 707 Y HA 0.460 5.010 4.550 0.001 0.000 0.335 707 Y C 0.932 176.811 175.900 -0.034 0.000 1.093 707 Y CA -0.396 57.676 58.100 -0.046 0.000 1.134 707 Y CB 1.973 40.389 38.460 -0.074 0.000 1.253 707 Y HN 0.243 nan 8.280 nan 0.000 0.478 708 K N 1.896 122.425 120.400 0.215 0.000 2.323 708 K HA 0.664 4.984 4.320 0.001 0.000 0.259 708 K C -1.879 174.761 176.600 0.067 0.000 0.947 708 K CA -0.541 55.791 56.287 0.075 0.000 0.819 708 K CB 1.084 33.633 32.500 0.083 0.000 1.109 708 K HN 0.486 nan 8.250 nan 0.000 0.429 709 V N 5.034 124.906 119.914 -0.069 0.000 2.427 709 V HA 0.353 4.473 4.120 0.001 0.000 0.286 709 V C -1.071 174.944 176.094 -0.131 0.000 1.034 709 V CA -0.628 61.646 62.300 -0.043 0.000 0.893 709 V CB 0.783 32.551 31.823 -0.092 0.000 0.982 709 V HN 0.623 nan 8.190 nan 0.000 0.452 710 Y N 2.733 123.072 120.300 0.065 0.000 2.350 710 Y HA 0.630 5.181 4.550 0.001 0.000 0.338 710 Y C -0.080 175.854 175.900 0.056 0.000 0.961 710 Y CA -0.947 57.205 58.100 0.086 0.000 1.100 710 Y CB 2.072 40.627 38.460 0.158 0.000 1.179 710 Y HN 0.345 nan 8.280 nan 0.000 0.454 711 V N 3.855 123.855 119.914 0.144 0.000 2.384 711 V HA 0.261 4.382 4.120 0.001 0.000 0.287 711 V C -0.328 175.852 176.094 0.143 0.000 1.020 711 V CA -1.272 61.067 62.300 0.066 0.000 0.850 711 V CB 1.113 32.878 31.823 -0.096 0.000 0.987 711 V HN 0.918 nan 8.190 nan 0.000 0.436 712 N N 3.479 122.283 118.700 0.174 0.000 2.727 712 N HA -0.214 4.527 4.740 0.001 0.000 0.249 712 N C 0.545 176.151 175.510 0.160 0.000 1.048 712 N CA 1.313 54.459 53.050 0.160 0.000 0.714 712 N CB -1.077 37.480 38.487 0.117 0.000 0.959 712 N HN 1.081 nan 8.380 nan 0.000 0.544 713 D N -1.908 118.617 120.400 0.209 0.000 3.070 713 D HA -0.220 4.420 4.640 0.001 0.000 0.220 713 D C -0.814 175.668 176.300 0.303 0.000 1.176 713 D CA 1.630 55.751 54.000 0.202 0.000 0.924 713 D CB -0.399 40.444 40.800 0.071 0.000 1.124 713 D HN 0.637 nan 8.370 nan 0.000 0.411 714 K N 0.854 121.414 120.400 0.267 0.000 2.323 714 K HA 0.298 4.618 4.320 0.001 0.000 0.259 714 K C 0.063 176.728 176.600 0.109 0.000 0.947 714 K CA -0.784 55.618 56.287 0.192 0.000 0.819 714 K CB 1.882 34.452 32.500 0.116 0.000 1.109 714 K HN 0.174 nan 8.250 nan 0.000 0.429 715 E N 1.695 121.869 120.200 -0.042 0.000 2.459 715 E HA 0.084 4.435 4.350 0.001 0.000 0.264 715 E C -0.988 175.548 176.600 -0.108 0.000 1.055 715 E CA 0.014 56.246 56.400 -0.281 0.000 0.957 715 E CB 0.638 30.136 29.700 -0.337 0.000 0.952 715 E HN 0.656 nan 8.360 nan 0.000 0.448 716 A N 2.541 125.288 122.820 -0.122 0.000 2.498 716 A HA 0.502 4.823 4.320 0.001 0.000 0.298 716 A C -1.128 176.438 177.584 -0.030 0.000 1.075 716 A CA -0.640 51.384 52.037 -0.022 0.000 0.714 716 A CB 2.203 21.196 19.000 -0.013 0.000 1.299 716 A HN 0.432 nan 8.150 nan 0.000 0.407 717 S N 1.252 116.966 115.700 0.023 0.000 2.594 717 S HA 0.478 4.949 4.470 0.001 0.000 0.322 717 S C -0.269 174.359 174.600 0.048 0.000 1.085 717 S CA -0.335 57.873 58.200 0.013 0.000 1.116 717 S CB 0.094 63.298 63.200 0.006 0.000 0.979 717 S HN 0.527 nan 8.310 nan 0.000 0.465 718 L N 2.778 124.020 121.223 0.032 0.000 2.436 718 L HA 0.376 4.717 4.340 0.001 0.000 0.265 718 L C 0.676 177.567 176.870 0.035 0.000 1.168 718 L CA -0.079 54.790 54.840 0.049 0.000 0.815 718 L CB 0.709 42.775 42.059 0.012 0.000 1.109 718 L HN 0.459 nan 8.230 nan 0.000 0.462 719 T N -0.108 114.470 114.554 0.040 0.000 2.940 719 T HA 0.119 4.470 4.350 0.001 0.000 0.288 719 T C 0.785 175.493 174.700 0.014 0.000 1.033 719 T CA -0.619 61.493 62.100 0.021 0.000 1.033 719 T CB 2.154 71.030 68.868 0.013 0.000 1.079 719 T HN 0.665 nan 8.240 nan 0.000 0.496 720 E N 0.683 120.887 120.200 0.007 0.000 2.072 720 E HA -0.094 4.256 4.350 0.001 0.000 0.190 720 E C 1.166 177.766 176.600 -0.001 0.000 0.982 720 E CA 0.778 57.181 56.400 0.004 0.000 0.803 720 E CB 0.236 29.936 29.700 0.000 0.000 0.755 720 E HN 0.590 nan 8.360 nan 0.000 0.453 721 Q N 0.422 120.219 119.800 -0.005 0.000 2.631 721 Q HA -0.014 4.327 4.340 0.001 0.000 0.184 721 Q C -0.398 175.598 176.000 -0.006 0.000 1.157 721 Q CA 0.077 55.874 55.803 -0.011 0.000 1.241 721 Q CB 0.505 29.233 28.738 -0.016 0.000 1.343 721 Q HN 0.068 nan 8.270 nan 0.000 0.671 722 E N 0.068 120.260 120.200 -0.014 0.000 2.256 722 E HA 0.306 4.656 4.350 0.001 0.000 0.268 722 E C -1.619 174.964 176.600 -0.029 0.000 0.877 722 E CA -0.506 55.890 56.400 -0.007 0.000 0.757 722 E CB 1.482 31.174 29.700 -0.014 0.000 1.183 722 E HN 0.315 nan 8.360 nan 0.000 0.418 723 K N 2.916 123.309 120.400 -0.010 0.000 2.164 723 K HA 0.298 4.618 4.320 0.001 0.000 0.258 723 K C -1.099 175.381 176.600 -0.199 0.000 0.951 723 K CA -0.818 55.375 56.287 -0.156 0.000 0.844 723 K CB 1.231 33.583 32.500 -0.247 0.000 1.099 723 K HN 0.487 nan 8.250 nan 0.000 0.435 724 D N 1.927 122.137 120.400 -0.318 0.000 2.177 724 D HA 0.183 4.823 4.640 0.001 0.000 0.247 724 D C -0.840 175.208 176.300 -0.421 0.000 1.063 724 D CA -0.040 53.833 54.000 -0.212 0.000 0.867 724 D CB 0.992 41.707 40.800 -0.142 0.000 1.168 724 D HN 0.349 nan 8.370 nan 0.000 0.445 725 Y N 1.769 122.018 120.300 -0.085 0.000 2.686 725 Y HA 0.230 4.781 4.550 0.001 0.000 0.331 725 Y C -1.996 173.839 175.900 -0.108 0.000 0.996 725 Y CA -2.019 56.029 58.100 -0.086 0.000 1.293 725 Y CB 1.552 39.957 38.460 -0.091 0.000 1.092 725 Y HN 0.103 nan 8.280 nan 0.000 0.524 726 P HA 0.015 nan 4.420 nan 0.000 0.274 726 P C -0.252 177.034 177.300 -0.024 0.000 1.237 726 P CA 0.013 63.095 63.100 -0.030 0.000 0.793 726 P CB 0.965 32.642 31.700 -0.038 0.000 0.977 727 E N -1.754 118.421 120.200 -0.043 0.000 2.228 727 E HA -0.146 4.205 4.350 0.001 0.000 0.213 727 E C -0.503 176.069 176.600 -0.048 0.000 1.282 727 E CA 0.994 57.373 56.400 -0.035 0.000 0.707 727 E CB -2.699 26.998 29.700 -0.004 0.000 1.150 727 E HN 0.440 nan 8.360 nan 0.000 0.362 728 T N 0.705 115.173 114.554 -0.143 0.000 2.817 728 T HA 0.247 4.598 4.350 0.001 0.000 0.293 728 T C 1.340 175.924 174.700 -0.193 0.000 0.964 728 T CA -0.162 61.822 62.100 -0.193 0.000 1.085 728 T CB 1.653 70.291 68.868 -0.384 0.000 0.921 728 T HN 0.234 nan 8.240 nan 0.000 0.502 729 Q N 2.543 122.366 119.800 0.039 0.000 2.394 729 Q HA 0.204 4.544 4.340 0.001 0.000 0.218 729 Q C 0.376 176.668 176.000 0.487 0.000 0.907 729 Q CA 0.267 56.204 55.803 0.223 0.000 0.919 729 Q CB 0.616 29.480 28.738 0.210 0.000 1.051 729 Q HN 0.768 nan 8.270 nan 0.000 0.538 730 S N -2.179 113.783 115.700 0.437 0.000 2.578 730 S HA 0.675 5.145 4.470 0.001 0.000 0.272 730 S C -1.422 173.442 174.600 0.440 0.000 1.145 730 S CA -0.856 57.698 58.200 0.590 0.000 0.835 730 S CB 1.472 65.024 63.200 0.587 0.000 1.104 730 S HN -0.051 nan 8.310 nan 0.000 0.458 731 V N 2.019 122.212 119.914 0.466 0.000 2.686 731 V HA 0.704 4.825 4.120 0.001 0.000 0.306 731 V C -1.617 174.645 176.094 0.280 0.000 1.065 731 V CA -0.499 61.962 62.300 0.269 0.000 0.894 731 V CB 1.629 33.497 31.823 0.075 0.000 1.004 731 V HN 0.905 nan 8.190 nan 0.000 0.424 732 F N 5.565 125.534 119.950 0.032 0.000 2.477 732 F HA 0.671 5.199 4.527 0.001 0.000 0.335 732 F C -0.626 175.152 175.800 -0.037 0.000 1.130 732 F CA -0.740 57.163 58.000 -0.160 0.000 0.948 732 F CB 1.486 40.341 39.000 -0.241 0.000 1.154 732 F HN 0.313 nan 8.300 nan 0.000 0.439 733 L N 5.825 126.589 121.223 -0.765 0.000 2.264 733 L HA 0.411 4.751 4.340 0.001 0.000 0.287 733 L C -0.187 176.304 176.870 -0.632 0.000 1.039 733 L CA -0.393 54.053 54.840 -0.656 0.000 0.829 733 L CB 1.133 42.583 42.059 -1.016 0.000 1.211 733 L HN 0.610 nan 8.230 nan 0.000 0.427 734 E N 2.439 122.640 120.200 0.002 0.000 2.216 734 E HA 0.456 4.806 4.350 0.001 0.000 0.279 734 E C -0.903 175.902 176.600 0.342 0.000 0.997 734 E CA -0.246 56.299 56.400 0.242 0.000 0.817 734 E CB 1.828 31.862 29.700 0.557 0.000 1.096 734 E HN 0.517 nan 8.360 nan 0.000 0.393 735 S N 1.476 117.279 115.700 0.172 0.000 2.671 735 S HA 0.231 4.701 4.470 0.001 0.000 0.299 735 S C 0.608 175.215 174.600 0.013 0.000 1.116 735 S CA -0.102 58.075 58.200 -0.039 0.000 0.912 735 S CB 1.437 64.525 63.200 -0.187 0.000 1.130 735 S HN 0.557 nan 8.310 nan 0.000 0.501 736 S N 0.695 116.373 115.700 -0.036 0.000 2.561 736 S HA 0.095 4.566 4.470 0.001 0.000 0.225 736 S C 0.084 174.688 174.600 0.006 0.000 0.977 736 S CA 0.411 58.610 58.200 -0.001 0.000 0.926 736 S CB -0.436 62.753 63.200 -0.018 0.000 0.769 736 S HN 0.709 nan 8.310 nan 0.000 0.533 737 D N 1.334 121.729 120.400 -0.009 0.000 2.481 737 D HA 0.401 5.042 4.640 0.001 0.000 0.246 737 D C 0.981 177.300 176.300 0.032 0.000 1.109 737 D CA -0.260 53.745 54.000 0.009 0.000 0.845 737 D CB 1.941 42.736 40.800 -0.009 0.000 1.160 737 D HN 0.062 nan 8.370 nan 0.000 0.534 738 S N 3.636 119.369 115.700 0.055 0.000 2.442 738 S HA -0.142 4.329 4.470 0.001 0.000 0.236 738 S C 1.476 176.116 174.600 0.067 0.000 1.007 738 S CA 0.454 58.700 58.200 0.076 0.000 0.965 738 S CB -0.107 63.143 63.200 0.084 0.000 0.773 738 S HN 0.351 nan 8.310 nan 0.000 0.504 739 K N 1.418 121.855 120.400 0.062 0.000 2.504 739 K HA 0.144 4.465 4.320 0.001 0.000 0.195 739 K C 1.280 177.917 176.600 0.061 0.000 1.036 739 K CA 0.647 56.980 56.287 0.076 0.000 0.984 739 K CB -0.081 32.472 32.500 0.087 0.000 0.788 739 K HN 0.568 nan 8.250 nan 0.000 0.488 740 K N 0.115 120.541 120.400 0.044 0.000 2.355 740 K HA 0.108 4.429 4.320 0.001 0.000 0.198 740 K C 0.055 176.714 176.600 0.098 0.000 1.039 740 K CA -0.291 56.031 56.287 0.057 0.000 1.075 740 K CB 0.389 32.889 32.500 0.000 0.000 0.870 740 K HN -0.011 nan 8.250 nan 0.000 0.540 741 N N 1.690 120.404 118.700 0.024 0.000 2.441 741 N HA 0.133 4.874 4.740 0.001 0.000 0.251 741 N C -0.398 174.915 175.510 -0.328 0.000 1.242 741 N CA 0.587 53.556 53.050 -0.136 0.000 0.898 741 N CB 0.643 39.080 38.487 -0.083 0.000 1.100 741 N HN 0.057 nan 8.380 nan 0.000 0.443 742 I N -0.097 120.083 120.570 -0.649 0.000 2.619 742 I HA 0.465 4.636 4.170 0.001 0.000 0.292 742 I C 0.424 175.970 176.117 -0.950 0.000 1.100 742 I CA -0.884 60.006 61.300 -0.683 0.000 1.043 742 I CB 2.367 40.024 38.000 -0.571 0.000 1.239 742 I HN 0.386 nan 8.210 nan 0.000 0.420 743 G N 4.181 112.466 108.800 -0.858 0.000 2.519 743 G HA2 0.755 4.715 3.960 0.001 0.000 0.307 743 G HA3 0.755 4.715 3.960 0.001 0.000 0.307 743 G C -2.013 172.529 174.900 -0.596 0.000 1.266 743 G CA -0.388 44.175 45.100 -0.895 0.000 0.970 743 G HN 0.396 nan 8.290 nan 0.000 0.481 744 Y N 0.219 120.530 120.300 0.019 0.000 2.354 744 Y HA 0.500 5.050 4.550 0.001 0.000 0.330 744 Y C -0.948 175.093 175.900 0.235 0.000 1.011 744 Y CA -1.071 57.037 58.100 0.013 0.000 1.099 744 Y CB 2.321 40.638 38.460 -0.238 0.000 1.179 744 Y HN 0.532 nan 8.280 nan 0.000 0.442 745 F N 4.703 124.664 119.950 0.019 0.000 2.444 745 F HA 0.672 5.200 4.527 0.001 0.000 0.342 745 F C -1.706 173.846 175.800 -0.414 0.000 1.121 745 F CA -2.312 55.634 58.000 -0.090 0.000 0.997 745 F CB 0.482 39.368 39.000 -0.190 0.000 1.130 745 F HN 0.268 nan 8.300 nan 0.000 0.454 746 F N 7.425 127.037 119.950 -0.564 0.000 2.391 746 F HA 0.308 4.836 4.527 0.001 0.000 0.359 746 F C 0.507 175.643 175.800 -1.107 0.000 1.122 746 F CA -0.488 57.120 58.000 -0.654 0.000 1.120 746 F CB 0.549 39.452 39.000 -0.161 0.000 1.142 746 F HN 0.440 nan 8.300 nan 0.000 0.483 747 F N 0.943 120.498 119.950 -0.658 0.000 2.333 747 F HA -0.055 4.472 4.527 0.001 0.000 0.300 747 F C 0.814 176.540 175.800 -0.124 0.000 1.083 747 F CA 0.900 58.615 58.000 -0.475 0.000 1.395 747 F CB -0.424 38.435 39.000 -0.235 0.000 1.056 747 F HN 0.147 nan 8.300 nan 0.000 0.529 748 K N 0.287 120.764 120.400 0.128 0.000 2.565 748 K HA 0.217 4.538 4.320 0.001 0.000 0.249 748 K C -0.637 176.038 176.600 0.124 0.000 0.958 748 K CA -0.823 55.543 56.287 0.132 0.000 0.806 748 K CB 2.017 34.597 32.500 0.132 0.000 1.194 748 K HN -0.116 nan 8.250 nan 0.000 0.434 749 K N 1.702 122.150 120.400 0.082 0.000 2.477 749 K HA -0.012 4.309 4.320 0.001 0.000 0.275 749 K C -0.205 176.368 176.600 -0.044 0.000 1.054 749 K CA 0.584 56.877 56.287 0.011 0.000 1.135 749 K CB 0.099 32.609 32.500 0.016 0.000 0.854 749 K HN 0.437 nan 8.250 nan 0.000 0.484 750 S N 1.201 116.771 115.700 -0.217 0.000 2.648 750 S HA 0.259 4.729 4.470 0.001 0.000 0.305 750 S C -0.492 173.950 174.600 -0.262 0.000 1.094 750 S CA -0.911 57.164 58.200 -0.207 0.000 0.983 750 S CB 1.980 65.060 63.200 -0.200 0.000 1.101 750 S HN 0.502 nan 8.310 nan 0.000 0.514 751 S N 1.950 117.568 115.700 -0.137 0.000 2.423 751 S HA 0.565 5.035 4.470 0.001 0.000 0.317 751 S C -0.238 174.297 174.600 -0.108 0.000 1.065 751 S CA -0.804 57.331 58.200 -0.107 0.000 1.111 751 S CB -0.937 62.232 63.200 -0.052 0.000 0.968 751 S HN 0.573 nan 8.310 nan 0.000 0.474 752 I N 2.191 122.687 120.570 -0.123 0.000 3.023 752 I HA 0.881 5.052 4.170 0.001 0.000 0.312 752 I C -0.459 175.667 176.117 0.016 0.000 1.056 752 I CA -0.907 60.340 61.300 -0.089 0.000 1.033 752 I CB 2.310 40.214 38.000 -0.160 0.000 1.233 752 I HN 0.548 nan 8.210 nan 0.000 0.462 753 S N 3.411 119.116 115.700 0.009 0.000 2.568 753 S HA 0.813 5.284 4.470 0.001 0.000 0.293 753 S C -0.754 173.878 174.600 0.053 0.000 1.089 753 S CA -0.862 57.382 58.200 0.074 0.000 0.945 753 S CB 2.015 65.217 63.200 0.004 0.000 1.077 753 S HN 0.761 nan 8.310 nan 0.000 0.485 754 M N 1.840 121.521 119.600 0.134 0.000 2.575 754 M HA 0.686 5.167 4.480 0.001 0.000 0.284 754 M C -1.067 175.270 176.300 0.062 0.000 1.253 754 M CA -0.499 54.824 55.300 0.038 0.000 0.861 754 M CB 2.698 35.255 32.600 -0.071 0.000 1.733 754 M HN 1.098 nan 8.290 nan 0.000 0.462 755 S N 0.684 116.390 115.700 0.010 0.000 2.615 755 S HA 0.681 5.151 4.470 0.001 0.000 0.268 755 S C -1.653 172.951 174.600 0.007 0.000 1.146 755 S CA -1.047 57.163 58.200 0.017 0.000 0.818 755 S CB 2.636 65.843 63.200 0.011 0.000 1.111 755 S HN 0.766 nan 8.310 nan 0.000 0.465 756 K N 0.411 120.820 120.400 0.015 0.000 2.565 756 K HA 0.747 5.067 4.320 0.001 0.000 0.249 756 K C -1.361 175.255 176.600 0.026 0.000 0.958 756 K CA -0.458 55.842 56.287 0.022 0.000 0.806 756 K CB 1.575 34.082 32.500 0.013 0.000 1.194 756 K HN 1.251 nan 8.250 nan 0.000 0.434 757 A N 3.145 125.991 122.820 0.044 0.000 2.610 757 A HA 0.525 4.845 4.320 0.001 0.000 0.291 757 A C -2.129 175.489 177.584 0.057 0.000 1.086 757 A CA -0.799 51.258 52.037 0.034 0.000 0.677 757 A CB 1.286 20.295 19.000 0.014 0.000 1.278 757 A HN 0.583 nan 8.150 nan 0.000 0.414 758 L N 0.845 122.089 121.223 0.035 0.000 2.313 758 L HA 0.455 4.795 4.340 0.001 0.000 0.282 758 L C 0.020 176.899 176.870 0.016 0.000 1.092 758 L CA 0.779 55.643 54.840 0.040 0.000 0.831 758 L CB 0.608 42.679 42.059 0.019 0.000 1.159 758 L HN 0.684 nan 8.230 nan 0.000 0.442 759 Q N 4.872 124.684 119.800 0.021 0.000 2.322 759 Q HA 0.458 4.799 4.340 0.001 0.000 0.265 759 Q C -0.990 174.969 176.000 -0.068 0.000 0.985 759 Q CA -0.630 55.129 55.803 -0.073 0.000 0.849 759 Q CB 1.950 30.548 28.738 -0.232 0.000 1.274 759 Q HN 0.504 nan 8.270 nan 0.000 0.449 760 K N 0.868 121.225 120.400 -0.073 0.000 2.207 760 K HA 0.834 5.154 4.320 0.001 0.000 0.255 760 K C -0.443 176.101 176.600 -0.093 0.000 0.941 760 K CA -0.791 55.458 56.287 -0.063 0.000 0.825 760 K CB 1.948 34.428 32.500 -0.033 0.000 1.119 760 K HN 0.719 nan 8.250 nan 0.000 0.430 761 G N 0.071 108.810 108.800 -0.101 0.000 2.667 761 G HA2 0.585 4.545 3.960 0.001 0.000 0.294 761 G HA3 0.585 4.545 3.960 0.001 0.000 0.294 761 G C -1.918 172.911 174.900 -0.117 0.000 1.467 761 G CA -0.730 44.294 45.100 -0.126 0.000 0.852 761 G HN 0.602 nan 8.290 nan 0.000 0.521 762 A N -0.160 122.609 122.820 -0.085 0.000 2.342 762 A HA 0.635 4.956 4.320 0.001 0.000 0.323 762 A C 0.377 177.959 177.584 -0.004 0.000 1.125 762 A CA -0.715 51.315 52.037 -0.012 0.000 0.785 762 A CB 0.785 19.812 19.000 0.045 0.000 1.221 762 A HN 0.836 nan 8.150 nan 0.000 0.463 763 W N 1.456 122.769 121.300 0.021 0.000 2.321 763 W HA -0.188 4.472 4.660 0.001 0.000 0.285 763 W C 2.095 178.618 176.519 0.007 0.000 1.213 763 W CA 1.917 59.276 57.345 0.025 0.000 1.205 763 W CB 0.196 29.677 29.460 0.035 0.000 1.134 763 W HN 0.816 nan 8.180 nan 0.000 0.549 764 K N 0.489 121.015 120.400 0.209 0.000 2.209 764 K HA -0.184 4.137 4.320 0.001 0.000 0.204 764 K C 1.236 177.875 176.600 0.066 0.000 1.048 764 K CA 1.727 58.087 56.287 0.121 0.000 0.940 764 K CB -0.213 32.340 32.500 0.087 0.000 0.729 764 K HN 0.019 nan 8.250 nan 0.000 0.451 765 D N 0.621 121.039 120.400 0.030 0.000 2.218 765 D HA -0.148 4.493 4.640 0.001 0.000 0.204 765 D C 1.673 177.949 176.300 -0.041 0.000 0.976 765 D CA 1.257 55.250 54.000 -0.011 0.000 0.853 765 D CB -0.002 40.772 40.800 -0.042 0.000 0.939 765 D HN 0.569 nan 8.370 nan 0.000 0.481 766 I N -3.945 116.608 120.570 -0.029 0.000 4.139 766 I HA 0.252 4.422 4.170 0.001 0.000 0.335 766 I C 0.084 176.208 176.117 0.012 0.000 1.327 766 I CA -0.213 61.048 61.300 -0.064 0.000 1.112 766 I CB 0.470 38.411 38.000 -0.097 0.000 1.058 766 I HN -0.271 nan 8.210 nan 0.000 0.396 767 N N 1.812 120.555 118.700 0.073 0.000 2.655 767 N HA 0.082 4.822 4.740 0.001 0.000 0.277 767 N C 0.448 176.004 175.510 0.076 0.000 1.177 767 N CA -0.079 53.023 53.050 0.086 0.000 0.882 767 N CB 1.497 40.060 38.487 0.128 0.000 1.481 767 N HN -0.009 nan 8.380 nan 0.000 0.547 768 E N 2.220 122.453 120.200 0.055 0.000 2.086 768 E HA -0.149 4.202 4.350 0.001 0.000 0.205 768 E C 1.289 177.909 176.600 0.034 0.000 1.027 768 E CA 1.786 58.212 56.400 0.043 0.000 0.830 768 E CB -0.217 29.503 29.700 0.034 0.000 0.751 768 E HN 0.772 nan 8.360 nan 0.000 0.456 769 G N 1.077 109.889 108.800 0.019 0.000 2.882 769 G HA2 -0.123 3.837 3.960 0.001 0.000 0.206 769 G HA3 -0.123 3.837 3.960 0.001 0.000 0.206 769 G C 0.763 175.666 174.900 0.005 0.000 1.155 769 G CA 0.073 45.174 45.100 0.002 0.000 0.800 769 G HN 0.041 nan 8.290 nan 0.000 0.524 770 Q N -0.195 119.629 119.800 0.040 0.000 2.169 770 Q HA 0.359 4.699 4.340 0.001 0.000 0.234 770 Q C -0.014 176.032 176.000 0.077 0.000 0.980 770 Q CA -0.503 55.332 55.803 0.053 0.000 0.941 770 Q CB 1.173 29.997 28.738 0.144 0.000 1.199 770 Q HN 0.093 nan 8.270 nan 0.000 0.496 771 S N 0.390 116.140 115.700 0.083 0.000 2.549 771 S HA -0.019 4.452 4.470 0.001 0.000 0.283 771 S C 0.296 174.982 174.600 0.143 0.000 1.320 771 S CA -0.212 58.045 58.200 0.095 0.000 1.058 771 S CB 0.164 63.408 63.200 0.074 0.000 0.882 771 S HN 0.558 nan 8.310 nan 0.000 0.498 772 D N 2.834 123.290 120.400 0.094 0.000 2.340 772 D HA 0.009 4.650 4.640 0.001 0.000 0.220 772 D C 0.522 176.870 176.300 0.081 0.000 1.039 772 D CA 0.052 54.101 54.000 0.081 0.000 0.866 772 D CB -0.085 40.746 40.800 0.052 0.000 0.913 772 D HN 0.491 nan 8.370 nan 0.000 0.523 773 K N 1.529 121.987 120.400 0.097 0.000 2.466 773 K HA -0.092 4.229 4.320 0.001 0.000 0.278 773 K C -0.027 176.630 176.600 0.095 0.000 1.048 773 K CA -0.144 56.197 56.287 0.090 0.000 1.088 773 K CB 0.299 32.860 32.500 0.101 0.000 0.884 773 K HN 0.147 nan 8.250 nan 0.000 0.478 774 E N 2.917 123.152 120.200 0.059 0.000 2.414 774 E HA 0.036 4.386 4.350 0.001 0.000 0.263 774 E C -0.920 175.708 176.600 0.047 0.000 1.000 774 E CA -0.368 56.055 56.400 0.039 0.000 0.914 774 E CB 0.775 30.488 29.700 0.021 0.000 0.948 774 E HN 0.329 nan 8.360 nan 0.000 0.444 775 V N 3.815 123.741 119.914 0.021 0.000 2.815 775 V HA 0.453 4.574 4.120 0.001 0.000 0.314 775 V C -0.397 175.692 176.094 -0.008 0.000 1.064 775 V CA -0.591 61.723 62.300 0.024 0.000 0.952 775 V CB 1.790 33.612 31.823 -0.001 0.000 1.020 775 V HN 0.829 nan 8.190 nan 0.000 0.439 776 E N 2.519 122.726 120.200 0.012 0.000 2.352 776 E HA 0.546 4.896 4.350 0.001 0.000 0.280 776 E C -1.931 174.691 176.600 0.037 0.000 0.930 776 E CA -0.910 55.498 56.400 0.013 0.000 0.765 776 E CB 2.522 32.229 29.700 0.012 0.000 1.219 776 E HN 0.608 nan 8.360 nan 0.000 0.434 777 N N 1.451 120.200 118.700 0.082 0.000 2.494 777 N HA 0.207 4.947 4.740 0.001 0.000 0.270 777 N C -1.593 174.022 175.510 0.175 0.000 1.285 777 N CA -0.647 52.461 53.050 0.096 0.000 0.812 777 N CB 2.353 40.919 38.487 0.132 0.000 1.557 777 N HN 0.691 nan 8.380 nan 0.000 0.487 778 E N 0.702 120.926 120.200 0.039 0.000 2.204 778 E HA 0.508 4.858 4.350 0.001 0.000 0.276 778 E C -1.298 175.313 176.600 0.018 0.000 0.974 778 E CA -0.294 56.152 56.400 0.076 0.000 0.815 778 E CB 0.805 30.501 29.700 -0.008 0.000 1.119 778 E HN 0.262 nan 8.360 nan 0.000 0.393 779 F N 2.710 122.616 119.950 -0.072 0.000 2.576 779 F HA 0.391 4.919 4.527 0.001 0.000 0.313 779 F C -0.555 175.211 175.800 -0.056 0.000 1.078 779 F CA -0.798 57.158 58.000 -0.073 0.000 0.921 779 F CB 1.636 40.571 39.000 -0.107 0.000 1.232 779 F HN 0.362 nan 8.300 nan 0.000 0.459 780 L N 2.685 123.969 121.223 0.102 0.000 2.265 780 L HA 0.605 4.945 4.340 0.001 0.000 0.289 780 L C -0.806 176.079 176.870 0.023 0.000 1.033 780 L CA 0.024 54.878 54.840 0.024 0.000 0.814 780 L CB 0.898 42.930 42.059 -0.045 0.000 1.203 780 L HN 0.636 nan 8.230 nan 0.000 0.423 781 T N 6.121 120.674 114.554 -0.001 0.000 2.797 781 T HA 0.571 4.922 4.350 0.001 0.000 0.279 781 T C -0.260 174.388 174.700 -0.087 0.000 0.991 781 T CA -0.239 61.845 62.100 -0.027 0.000 0.979 781 T CB 1.348 70.207 68.868 -0.015 0.000 0.943 781 T HN 0.383 nan 8.240 nan 0.000 0.444 782 I N 3.361 123.849 120.570 -0.135 0.000 2.439 782 I HA 0.413 4.584 4.170 0.001 0.000 0.283 782 I C 0.128 176.142 176.117 -0.171 0.000 1.023 782 I CA -0.609 60.569 61.300 -0.203 0.000 1.100 782 I CB 1.472 39.242 38.000 -0.383 0.000 1.238 782 I HN 0.669 nan 8.210 nan 0.000 0.445 783 S N 4.724 120.350 115.700 -0.123 0.000 2.634 783 S HA 0.636 5.107 4.470 0.001 0.000 0.296 783 S C -0.912 173.626 174.600 -0.104 0.000 1.104 783 S CA -0.825 57.311 58.200 -0.106 0.000 0.920 783 S CB 2.538 65.691 63.200 -0.078 0.000 1.111 783 S HN 0.639 nan 8.310 nan 0.000 0.493 784 Q N 0.689 120.414 119.800 -0.125 0.000 2.290 784 Q HA 0.619 4.960 4.340 0.001 0.000 0.269 784 Q C -0.717 175.057 176.000 -0.376 0.000 1.016 784 Q CA -0.794 54.916 55.803 -0.154 0.000 0.754 784 Q CB 1.687 30.416 28.738 -0.016 0.000 1.247 784 Q HN 1.033 nan 8.270 nan 0.000 0.451 785 A N 3.276 125.925 122.820 -0.284 0.000 2.366 785 A HA 0.358 4.679 4.320 0.001 0.000 0.249 785 A C -0.868 176.469 177.584 -0.411 0.000 1.084 785 A CA -0.066 51.789 52.037 -0.303 0.000 0.794 785 A CB 0.354 19.281 19.000 -0.121 0.000 1.034 785 A HN 0.806 nan 8.150 nan 0.000 0.491 786 H N 1.402 120.510 119.070 0.064 0.000 2.953 786 H HA 0.254 4.810 4.556 0.001 0.000 0.290 786 H C 0.077 175.432 175.328 0.045 0.000 1.113 786 H CA -0.526 55.565 56.048 0.071 0.000 1.454 786 H CB 1.236 31.058 29.762 0.100 0.000 1.525 786 H HN 0.804 nan 8.280 nan 0.000 0.505 787 K N 1.201 121.675 120.400 0.124 0.000 2.186 787 K HA 0.054 4.375 4.320 0.001 0.000 0.202 787 K C 0.284 176.920 176.600 0.060 0.000 1.052 787 K CA 0.724 57.053 56.287 0.070 0.000 0.965 787 K CB 0.644 33.168 32.500 0.040 0.000 0.746 787 K HN 0.481 nan 8.250 nan 0.000 0.457 788 Q N 0.470 120.309 119.800 0.064 0.000 2.359 788 Q HA 0.242 4.583 4.340 0.001 0.000 0.275 788 Q C -0.826 175.192 176.000 0.029 0.000 1.082 788 Q CA -1.076 54.749 55.803 0.037 0.000 0.849 788 Q CB 1.172 29.925 28.738 0.025 0.000 1.377 788 Q HN -0.056 nan 8.270 nan 0.000 0.452 789 N N 0.333 119.038 118.700 0.008 0.000 2.492 789 N HA 0.203 4.944 4.740 0.001 0.000 0.262 789 N C 0.532 176.024 175.510 -0.029 0.000 1.202 789 N CA 1.288 54.331 53.050 -0.011 0.000 0.926 789 N CB 0.967 39.443 38.487 -0.018 0.000 1.078 789 N HN 0.908 nan 8.380 nan 0.000 0.454 790 G N 1.162 109.928 108.800 -0.056 0.000 2.132 790 G HA2 -0.218 3.743 3.960 0.001 0.000 0.228 790 G HA3 -0.218 3.743 3.960 0.001 0.000 0.228 790 G C -0.132 174.721 174.900 -0.080 0.000 1.000 790 G CA -0.201 44.849 45.100 -0.083 0.000 0.693 790 G HN 0.558 nan 8.290 nan 0.000 0.515 791 D N 0.386 120.745 120.400 -0.068 0.000 2.414 791 D HA 0.690 5.330 4.640 0.001 0.000 0.251 791 D C 0.988 177.204 176.300 -0.139 0.000 1.252 791 D CA 0.944 54.913 54.000 -0.052 0.000 0.999 791 D CB 1.273 42.091 40.800 0.030 0.000 1.093 791 D HN 0.886 nan 8.370 nan 0.000 0.515 792 S N -1.295 114.351 115.700 -0.091 0.000 2.636 792 S HA 0.648 5.119 4.470 0.001 0.000 0.268 792 S C -1.572 173.076 174.600 0.080 0.000 1.159 792 S CA -1.020 57.090 58.200 -0.151 0.000 0.815 792 S CB 1.190 64.298 63.200 -0.153 0.000 1.130 792 S HN 0.500 nan 8.310 nan 0.000 0.471 793 Y N -1.806 118.569 120.300 0.124 0.000 2.588 793 Y HA 0.931 5.482 4.550 0.001 0.000 0.343 793 Y C -0.353 175.680 175.900 0.222 0.000 1.065 793 Y CA -0.852 57.414 58.100 0.277 0.000 1.038 793 Y CB 1.346 40.056 38.460 0.415 0.000 1.297 793 Y HN 1.264 nan 8.280 nan 0.000 0.467 794 G N 2.016 111.145 108.800 0.549 0.000 2.267 794 G HA2 0.517 4.477 3.960 0.001 0.000 0.285 794 G HA3 0.517 4.477 3.960 0.001 0.000 0.285 794 G C -2.266 172.870 174.900 0.394 0.000 1.323 794 G CA -0.767 44.601 45.100 0.446 0.000 1.306 794 G HN 1.050 nan 8.290 nan 0.000 0.617 795 Y N -0.098 120.309 120.300 0.179 0.000 2.571 795 Y HA 0.847 5.398 4.550 0.001 0.000 0.341 795 Y C -0.903 174.876 175.900 -0.200 0.000 1.076 795 Y CA -2.200 55.607 58.100 -0.488 0.000 1.029 795 Y CB 2.035 40.004 38.460 -0.817 0.000 1.308 795 Y HN 0.476 nan 8.280 nan 0.000 0.461 796 M N 3.773 123.225 119.600 -0.248 0.000 2.227 796 M HA 0.556 5.036 4.480 0.001 0.000 0.335 796 M C -2.088 174.299 176.300 0.145 0.000 1.053 796 M CA -1.030 54.330 55.300 0.099 0.000 0.973 796 M CB 1.365 34.040 32.600 0.124 0.000 1.623 796 M HN 0.780 nan 8.290 nan 0.000 0.434 797 L N 7.267 128.593 121.223 0.171 0.000 2.264 797 L HA 0.651 4.992 4.340 0.001 0.000 0.289 797 L C -1.572 175.243 176.870 -0.092 0.000 1.044 797 L CA 0.163 54.964 54.840 -0.064 0.000 0.807 797 L CB 0.414 42.447 42.059 -0.044 0.000 1.192 797 L HN 0.751 nan 8.230 nan 0.000 0.425 798 I N 8.187 128.679 120.570 -0.130 0.000 2.411 798 I HA 0.463 4.633 4.170 0.001 0.000 0.284 798 I C -2.323 173.665 176.117 -0.216 0.000 1.012 798 I CA -1.509 59.746 61.300 -0.076 0.000 1.119 798 I CB 1.693 39.793 38.000 0.167 0.000 1.261 798 I HN 0.519 nan 8.210 nan 0.000 0.448 799 P HA 0.390 nan 4.420 nan 0.000 0.287 799 P C -0.834 176.341 177.300 -0.208 0.000 1.290 799 P CA -0.589 62.270 63.100 -0.402 0.000 0.889 799 P CB 1.265 32.541 31.700 -0.706 0.000 1.190 800 N N -2.318 116.323 118.700 -0.098 0.000 2.735 800 N HA -0.112 4.628 4.740 0.001 0.000 0.248 800 N C -0.122 175.437 175.510 0.082 0.000 1.083 800 N CA 1.282 54.353 53.050 0.036 0.000 0.703 800 N CB -2.156 36.410 38.487 0.132 0.000 1.005 800 N HN 0.444 nan 8.380 nan 0.000 0.550 801 V N -3.791 116.186 119.914 0.106 0.000 3.078 801 V HA 0.829 4.950 4.120 0.001 0.000 0.311 801 V C 0.037 176.260 176.094 0.215 0.000 1.138 801 V CA -1.199 61.185 62.300 0.141 0.000 1.007 801 V CB 2.455 34.364 31.823 0.144 0.000 1.045 801 V HN 0.146 nan 8.190 nan 0.000 0.432 802 D N 1.376 121.862 120.400 0.142 0.000 2.383 802 D HA 0.263 4.904 4.640 0.001 0.000 0.248 802 D C 1.093 177.342 176.300 -0.085 0.000 1.170 802 D CA -0.413 53.661 54.000 0.123 0.000 0.977 802 D CB 0.934 41.762 40.800 0.046 0.000 1.120 802 D HN 0.721 nan 8.370 nan 0.000 0.481 803 R N 0.175 120.449 120.500 -0.377 0.000 2.117 803 R HA -0.213 4.128 4.340 0.001 0.000 0.243 803 R C 1.848 177.895 176.300 -0.421 0.000 1.143 803 R CA 1.743 57.315 56.100 -0.880 0.000 0.968 803 R CB -0.538 29.262 30.300 -0.834 0.000 0.863 803 R HN 0.590 nan 8.270 nan 0.000 0.444 804 A N -0.647 122.032 122.820 -0.235 0.000 1.929 804 A HA -0.069 4.252 4.320 0.001 0.000 0.216 804 A C 2.070 179.576 177.584 -0.129 0.000 1.176 804 A CA 1.714 53.655 52.037 -0.160 0.000 0.628 804 A CB -0.441 18.497 19.000 -0.104 0.000 0.816 804 A HN 0.417 nan 8.150 nan 0.000 0.444 805 T N -1.059 113.443 114.554 -0.086 0.000 2.942 805 T HA -0.013 4.337 4.350 0.001 0.000 0.265 805 T C 1.547 176.216 174.700 -0.052 0.000 1.062 805 T CA 1.177 63.246 62.100 -0.053 0.000 1.139 805 T CB -0.308 68.559 68.868 -0.002 0.000 0.883 805 T HN 0.474 nan 8.240 nan 0.000 0.468 806 F N 3.083 122.909 119.950 -0.208 0.000 2.146 806 F HA -0.044 4.483 4.527 0.001 0.000 0.298 806 F C 1.916 177.577 175.800 -0.232 0.000 1.096 806 F CA 1.006 58.887 58.000 -0.199 0.000 1.275 806 F CB -0.401 38.425 39.000 -0.289 0.000 1.008 806 F HN 0.034 nan 8.300 nan 0.000 0.480 807 N N 0.285 118.773 118.700 -0.353 0.000 2.396 807 N HA -0.150 4.591 4.740 0.001 0.000 0.180 807 N C 1.727 177.032 175.510 -0.342 0.000 1.028 807 N CA 0.936 53.748 53.050 -0.398 0.000 0.893 807 N CB -0.313 38.028 38.487 -0.245 0.000 0.967 807 N HN 0.411 nan 8.380 nan 0.000 0.440 808 Q N 0.620 120.261 119.800 -0.264 0.000 2.062 808 Q HA 0.171 4.512 4.340 0.001 0.000 0.196 808 Q C 1.962 177.811 176.000 -0.251 0.000 0.967 808 Q CA 1.057 56.734 55.803 -0.209 0.000 0.832 808 Q CB -0.053 28.601 28.738 -0.142 0.000 0.899 808 Q HN 0.261 nan 8.270 nan 0.000 0.442 809 M N 0.290 119.725 119.600 -0.275 0.000 2.213 809 M HA -0.107 4.373 4.480 0.001 0.000 0.263 809 M C 1.959 177.996 176.300 -0.438 0.000 1.062 809 M CA 1.299 56.431 55.300 -0.280 0.000 1.105 809 M CB -0.490 31.985 32.600 -0.208 0.000 1.385 809 M HN 0.409 nan 8.290 nan 0.000 0.417 810 I N -1.809 118.366 120.570 -0.659 0.000 2.614 810 I HA -0.190 3.981 4.170 0.001 0.000 0.258 810 I C 1.766 177.472 176.117 -0.685 0.000 1.189 810 I CA 1.405 62.117 61.300 -0.979 0.000 1.462 810 I CB -0.482 36.884 38.000 -1.056 0.000 1.092 810 I HN 0.189 nan 8.210 nan 0.000 0.442 811 K N 1.322 121.476 120.400 -0.410 0.000 2.243 811 K HA -0.008 4.313 4.320 0.001 0.000 0.201 811 K C 1.845 178.336 176.600 -0.181 0.000 1.051 811 K CA 1.152 57.293 56.287 -0.245 0.000 0.970 811 K CB 0.012 32.406 32.500 -0.178 0.000 0.755 811 K HN 0.502 nan 8.250 nan 0.000 0.465 812 E N 0.836 120.917 120.200 -0.199 0.000 2.158 812 E HA -0.049 4.302 4.350 0.001 0.000 0.191 812 E C 0.978 177.520 176.600 -0.098 0.000 0.982 812 E CA 0.570 56.892 56.400 -0.131 0.000 0.823 812 E CB 0.105 29.727 29.700 -0.131 0.000 0.766 812 E HN 0.203 nan 8.360 nan 0.000 0.468 813 L N 1.548 122.686 121.223 -0.141 0.000 2.779 813 L HA 0.114 4.454 4.340 0.001 0.000 0.239 813 L C 1.839 178.815 176.870 0.177 0.000 1.245 813 L CA -0.076 54.776 54.840 0.020 0.000 1.064 813 L CB -0.208 41.885 42.059 0.057 0.000 1.350 813 L HN 0.115 nan 8.230 nan 0.000 0.455 814 E N 1.337 121.587 120.200 0.084 0.000 2.038 814 E HA -0.213 4.138 4.350 0.001 0.000 0.195 814 E C 1.522 178.250 176.600 0.214 0.000 1.000 814 E CA 1.678 58.172 56.400 0.157 0.000 0.803 814 E CB 0.231 29.971 29.700 0.067 0.000 0.750 814 E HN 0.463 nan 8.360 nan 0.000 0.448 815 S N -0.586 115.209 115.700 0.158 0.000 2.526 815 S HA 0.136 4.606 4.470 0.001 0.000 0.245 815 S C 1.103 175.790 174.600 0.145 0.000 1.103 815 S CA 0.104 58.388 58.200 0.141 0.000 1.095 815 S CB 0.649 63.912 63.200 0.106 0.000 0.826 815 S HN 0.235 nan 8.310 nan 0.000 0.468 816 S N 0.835 116.638 115.700 0.172 0.000 2.453 816 S HA 0.098 4.569 4.470 0.001 0.000 0.231 816 S C 0.589 175.150 174.600 -0.064 0.000 1.005 816 S CA -0.131 58.133 58.200 0.106 0.000 0.949 816 S CB -0.627 62.682 63.200 0.182 0.000 0.774 816 S HN 0.549 nan 8.310 nan 0.000 0.510 817 L N 2.581 123.710 121.223 -0.157 0.000 2.342 817 L HA 0.324 4.665 4.340 0.001 0.000 0.285 817 L C 0.713 177.484 176.870 -0.166 0.000 1.095 817 L CA -0.220 54.392 54.840 -0.379 0.000 0.843 817 L CB 0.019 41.817 42.059 -0.436 0.000 1.201 817 L HN 0.087 nan 8.230 nan 0.000 0.445 818 I N 2.543 123.025 120.570 -0.147 0.000 2.480 818 I HA 0.165 4.336 4.170 0.001 0.000 0.251 818 I C 0.616 176.680 176.117 -0.088 0.000 1.124 818 I CA 0.673 61.935 61.300 -0.062 0.000 1.444 818 I CB -0.658 37.348 38.000 0.010 0.000 1.098 818 I HN 0.715 nan 8.210 nan 0.000 0.428 819 E N 0.206 120.329 120.200 -0.128 0.000 2.389 819 E HA 0.280 4.631 4.350 0.001 0.000 0.281 819 E C -1.057 175.473 176.600 -0.117 0.000 1.072 819 E CA -0.445 55.895 56.400 -0.100 0.000 0.845 819 E CB 0.992 30.658 29.700 -0.057 0.000 1.239 819 E HN 0.131 nan 8.360 nan 0.000 0.434 820 N N 3.095 121.740 118.700 -0.092 0.000 2.751 820 N HA 0.226 4.967 4.740 0.001 0.000 0.238 820 N C -1.470 173.993 175.510 -0.078 0.000 1.351 820 N CA -0.263 52.732 53.050 -0.092 0.000 0.751 820 N CB 0.009 38.419 38.487 -0.129 0.000 1.342 820 N HN 0.543 nan 8.380 nan 0.000 0.540 821 N N -0.074 118.594 118.700 -0.054 0.000 3.167 821 N HA 0.194 4.935 4.740 0.001 0.000 0.323 821 N C 0.761 176.222 175.510 -0.081 0.000 1.478 821 N CA -0.598 52.410 53.050 -0.070 0.000 0.753 821 N CB 0.274 38.731 38.487 -0.050 0.000 1.721 821 N HN 0.055 nan 8.380 nan 0.000 0.618 822 E N -1.316 118.813 120.200 -0.117 0.000 2.515 822 E HA -0.079 4.271 4.350 0.001 0.000 0.201 822 E C 0.209 176.790 176.600 -0.032 0.000 1.071 822 E CA 1.478 57.767 56.400 -0.184 0.000 0.880 822 E CB -0.901 28.676 29.700 -0.204 0.000 0.828 822 E HN 0.807 nan 8.360 nan 0.000 0.540 823 T N -2.670 111.914 114.554 0.051 0.000 2.993 823 T HA 0.358 4.708 4.350 0.001 0.000 0.260 823 T C 0.208 175.035 174.700 0.211 0.000 0.939 823 T CA -0.326 61.861 62.100 0.145 0.000 0.886 823 T CB 0.199 69.120 68.868 0.088 0.000 1.209 823 T HN 0.075 nan 8.240 nan 0.000 0.518 824 L N 1.280 122.593 121.223 0.150 0.000 2.464 824 L HA 0.664 5.005 4.340 0.001 0.000 0.266 824 L C -1.992 174.957 176.870 0.132 0.000 0.965 824 L CA -0.411 54.523 54.840 0.157 0.000 0.833 824 L CB 2.439 44.545 42.059 0.079 0.000 1.296 824 L HN 0.137 nan 8.230 nan 0.000 0.405 825 Q N 2.794 122.714 119.800 0.199 0.000 2.304 825 Q HA 0.772 5.113 4.340 0.001 0.000 0.270 825 Q C -1.530 174.589 176.000 0.198 0.000 1.035 825 Q CA -0.605 55.301 55.803 0.172 0.000 0.781 825 Q CB 2.361 31.269 28.738 0.284 0.000 1.261 825 Q HN 0.634 nan 8.270 nan 0.000 0.444 826 S N 1.547 117.213 115.700 -0.056 0.000 2.535 826 S HA 0.676 5.146 4.470 0.001 0.000 0.272 826 S C -1.683 172.675 174.600 -0.403 0.000 1.149 826 S CA -0.487 57.640 58.200 -0.123 0.000 0.888 826 S CB 1.506 64.749 63.200 0.073 0.000 1.110 826 S HN 0.307 nan 8.310 nan 0.000 0.463 827 V N 4.397 124.006 119.914 -0.509 0.000 2.735 827 V HA 0.615 4.736 4.120 0.001 0.000 0.310 827 V C -1.349 174.746 176.094 0.001 0.000 1.061 827 V CA -0.721 61.325 62.300 -0.423 0.000 0.913 827 V CB 1.860 33.257 31.823 -0.710 0.000 1.005 827 V HN 0.872 nan 8.190 nan 0.000 0.428 828 Y N 2.568 122.790 120.300 -0.131 0.000 2.364 828 Y HA 0.614 5.165 4.550 0.001 0.000 0.340 828 Y C -0.616 175.177 175.900 -0.179 0.000 0.975 828 Y CA -1.375 56.610 58.100 -0.192 0.000 1.089 828 Y CB 1.810 40.146 38.460 -0.206 0.000 1.192 828 Y HN 0.696 nan 8.280 nan 0.000 0.454 829 D N 4.754 124.635 120.400 -0.865 0.000 2.473 829 D HA 0.372 5.013 4.640 0.001 0.000 0.226 829 D C 0.525 176.129 176.300 -1.161 0.000 1.089 829 D CA 0.222 53.800 54.000 -0.704 0.000 0.883 829 D CB 1.447 42.039 40.800 -0.346 0.000 1.029 829 D HN 0.800 nan 8.370 nan 0.000 0.517 830 A N 4.689 126.884 122.820 -1.041 0.000 1.933 830 A HA -0.173 4.147 4.320 0.001 0.000 0.218 830 A C 2.059 179.425 177.584 -0.363 0.000 1.175 830 A CA 1.247 52.859 52.037 -0.709 0.000 0.628 830 A CB -0.202 18.657 19.000 -0.236 0.000 0.814 830 A HN 0.573 nan 8.150 nan 0.000 0.444 831 K N -0.689 119.543 120.400 -0.280 0.000 2.001 831 K HA -0.219 4.102 4.320 0.001 0.000 0.214 831 K C 2.327 178.832 176.600 -0.159 0.000 1.050 831 K CA 2.110 58.295 56.287 -0.169 0.000 0.934 831 K CB -0.185 32.235 32.500 -0.134 0.000 0.718 831 K HN 0.639 nan 8.250 nan 0.000 0.443 832 Q N -1.457 118.226 119.800 -0.195 0.000 2.269 832 Q HA 0.038 4.379 4.340 0.001 0.000 0.201 832 Q C 0.564 176.485 176.000 -0.131 0.000 0.946 832 Q CA 0.704 56.426 55.803 -0.136 0.000 0.877 832 Q CB 0.626 29.299 28.738 -0.109 0.000 0.963 832 Q HN 0.574 nan 8.270 nan 0.000 0.472 833 G N 0.848 109.501 108.800 -0.246 0.000 2.303 833 G HA2 -0.188 3.772 3.960 0.001 0.000 0.260 833 G HA3 -0.188 3.772 3.960 0.001 0.000 0.260 833 G C -0.461 174.357 174.900 -0.136 0.000 1.106 833 G CA -0.073 44.927 45.100 -0.168 0.000 0.900 833 G HN 0.155 nan 8.290 nan 0.000 0.495 834 V N 0.689 120.444 119.914 -0.266 0.000 2.735 834 V HA 0.808 4.928 4.120 0.001 0.000 0.310 834 V C -0.152 175.965 176.094 0.038 0.000 1.061 834 V CA -1.080 61.220 62.300 -0.000 0.000 0.913 834 V CB 2.040 33.883 31.823 0.033 0.000 1.005 834 V HN 0.361 nan 8.190 nan 0.000 0.428 835 W N 1.580 123.098 121.300 0.364 0.000 2.736 835 W HA 0.710 5.371 4.660 0.001 0.000 0.335 835 W C 0.155 176.873 176.519 0.332 0.000 1.059 835 W CA -0.876 56.707 57.345 0.396 0.000 1.226 835 W CB 2.578 32.312 29.460 0.457 0.000 1.416 835 W HN 0.740 nan 8.180 nan 0.000 0.505 836 G N 3.227 112.389 108.800 0.604 0.000 2.574 836 G HA2 0.717 4.677 3.960 0.001 0.000 0.306 836 G HA3 0.717 4.677 3.960 0.001 0.000 0.306 836 G C -1.301 174.037 174.900 0.730 0.000 1.334 836 G CA -0.482 45.029 45.100 0.686 0.000 0.954 836 G HN 0.339 nan 8.290 nan 0.000 0.500 837 I N 1.614 122.528 120.570 0.574 0.000 2.608 837 I HA 0.486 4.656 4.170 0.001 0.000 0.295 837 I C -0.717 175.675 176.117 0.459 0.000 1.049 837 I CA -1.256 60.326 61.300 0.471 0.000 1.063 837 I CB 2.713 40.850 38.000 0.228 0.000 1.248 837 I HN 0.084 nan 8.210 nan 0.000 0.424 838 V N 5.269 125.433 119.914 0.416 0.000 2.483 838 V HA 0.415 4.536 4.120 0.001 0.000 0.297 838 V C -0.398 175.924 176.094 0.380 0.000 1.027 838 V CA -0.744 61.783 62.300 0.378 0.000 0.855 838 V CB 2.018 34.042 31.823 0.335 0.000 0.995 838 V HN 0.635 nan 8.190 nan 0.000 0.424 839 K N 3.234 123.867 120.400 0.389 0.000 2.292 839 K HA 0.483 4.803 4.320 0.001 0.000 0.257 839 K C -0.722 175.999 176.600 0.202 0.000 0.940 839 K CA -0.623 55.857 56.287 0.320 0.000 0.811 839 K CB 2.129 34.819 32.500 0.317 0.000 1.120 839 K HN 0.614 nan 8.250 nan 0.000 0.428 840 Y N 0.834 121.169 120.300 0.058 0.000 2.457 840 Y HA 0.013 4.564 4.550 0.001 0.000 0.263 840 Y C 0.031 175.840 175.900 -0.151 0.000 1.164 840 Y CA -0.042 57.961 58.100 -0.161 0.000 1.274 840 Y CB 0.529 38.895 38.460 -0.157 0.000 1.097 840 Y HN 0.683 nan 8.280 nan 0.000 0.523 841 D N -3.512 116.929 120.400 0.068 0.000 2.626 841 D HA 0.141 4.781 4.640 0.001 0.000 0.278 841 D C -0.832 175.498 176.300 0.049 0.000 1.211 841 D CA -0.716 53.303 54.000 0.031 0.000 0.903 841 D CB 0.508 41.332 40.800 0.041 0.000 1.408 841 D HN -0.222 nan 8.370 nan 0.000 0.454 842 D N -0.004 120.414 120.400 0.030 0.000 2.706 842 D HA 0.119 4.759 4.640 0.001 0.000 0.236 842 D C 0.109 176.420 176.300 0.019 0.000 1.231 842 D CA 0.048 54.067 54.000 0.033 0.000 0.828 842 D CB 0.116 40.928 40.800 0.019 0.000 1.015 842 D HN 0.422 nan 8.370 nan 0.000 0.484 843 S N -0.904 114.807 115.700 0.019 0.000 2.655 843 S HA 0.347 4.818 4.470 0.001 0.000 0.265 843 S C 0.342 174.937 174.600 -0.008 0.000 1.240 843 S CA -0.706 57.495 58.200 0.003 0.000 0.986 843 S CB 1.770 64.973 63.200 0.004 0.000 0.985 843 S HN -0.098 nan 8.310 nan 0.000 0.562 844 V N 1.948 121.846 119.914 -0.027 0.000 2.406 844 V HA 0.443 4.563 4.120 0.001 0.000 0.272 844 V C -0.033 176.024 176.094 -0.062 0.000 1.043 844 V CA -0.405 61.866 62.300 -0.049 0.000 0.915 844 V CB 0.788 32.576 31.823 -0.059 0.000 0.988 844 V HN 0.919 nan 8.190 nan 0.000 0.466 845 S N 2.996 118.648 115.700 -0.080 0.000 2.473 845 S HA 0.525 4.995 4.470 0.001 0.000 0.307 845 S C 0.008 174.512 174.600 -0.159 0.000 1.094 845 S CA -0.547 57.593 58.200 -0.100 0.000 1.070 845 S CB 1.641 64.792 63.200 -0.082 0.000 1.019 845 S HN 0.773 nan 8.310 nan 0.000 0.480 846 T N 4.350 118.795 114.554 -0.182 0.000 2.743 846 T HA 0.435 4.785 4.350 0.001 0.000 0.292 846 T C -0.184 174.304 174.700 -0.354 0.000 0.972 846 T CA -0.502 61.439 62.100 -0.265 0.000 0.967 846 T CB 0.143 68.882 68.868 -0.215 0.000 0.926 846 T HN 0.357 nan 8.240 nan 0.000 0.459 847 I N 2.459 122.658 120.570 -0.618 0.000 2.354 847 I HA 0.286 4.457 4.170 0.001 0.000 0.292 847 I C 0.975 176.597 176.117 -0.826 0.000 0.989 847 I CA -0.605 60.244 61.300 -0.752 0.000 1.188 847 I CB 0.794 38.158 38.000 -1.059 0.000 1.342 847 I HN 0.768 nan 8.210 nan 0.000 0.457 848 S N 4.309 119.756 115.700 -0.422 0.000 3.402 848 S HA -0.301 4.170 4.470 0.001 0.000 0.329 848 S C 0.937 175.383 174.600 -0.257 0.000 1.194 848 S CA 1.338 59.378 58.200 -0.266 0.000 0.951 848 S CB -1.523 61.583 63.200 -0.156 0.000 0.975 848 S HN 0.930 nan 8.310 nan 0.000 0.574 849 N N -0.485 118.036 118.700 -0.298 0.000 2.714 849 N HA -0.239 4.501 4.740 0.001 0.000 0.250 849 N C 0.561 175.945 175.510 -0.209 0.000 1.117 849 N CA 1.736 54.656 53.050 -0.217 0.000 0.719 849 N CB -0.681 37.732 38.487 -0.124 0.000 1.081 849 N HN 0.796 nan 8.380 nan 0.000 0.557 850 Q N -1.822 117.763 119.800 -0.359 0.000 2.477 850 Q HA 0.244 4.584 4.340 0.001 0.000 0.252 850 Q C -0.160 175.700 176.000 -0.234 0.000 0.869 850 Q CA 0.919 56.594 55.803 -0.213 0.000 0.969 850 Q CB 0.677 29.362 28.738 -0.089 0.000 1.144 850 Q HN 0.446 nan 8.270 nan 0.000 0.577 851 F N -1.538 118.167 119.950 -0.408 0.000 2.779 851 F HA 0.550 5.077 4.527 0.001 0.000 0.316 851 F C -1.646 173.841 175.800 -0.521 0.000 1.164 851 F CA -1.270 56.376 58.000 -0.590 0.000 0.924 851 F CB 1.030 39.481 39.000 -0.914 0.000 1.348 851 F HN -0.344 nan 8.300 nan 0.000 0.467 852 Q N 1.304 120.942 119.800 -0.270 0.000 2.375 852 Q HA 0.714 5.055 4.340 0.001 0.000 0.271 852 Q C -1.411 174.474 176.000 -0.191 0.000 1.074 852 Q CA -1.445 54.225 55.803 -0.222 0.000 0.808 852 Q CB 3.391 31.999 28.738 -0.217 0.000 1.327 852 Q HN 0.728 nan 8.270 nan 0.000 0.441 853 V N 0.188 120.018 119.914 -0.140 0.000 2.495 853 V HA 0.426 4.547 4.120 0.001 0.000 0.298 853 V C 0.259 176.310 176.094 -0.073 0.000 1.031 853 V CA -0.622 61.588 62.300 -0.150 0.000 0.871 853 V CB 0.892 32.443 31.823 -0.453 0.000 0.988 853 V HN 0.824 nan 8.190 nan 0.000 0.432 854 L N 1.252 122.476 121.223 0.003 0.000 2.408 854 L HA 0.420 4.760 4.340 0.001 0.000 0.215 854 L C 0.927 177.833 176.870 0.060 0.000 1.081 854 L CA 0.452 55.299 54.840 0.012 0.000 0.840 854 L CB -0.259 41.790 42.059 -0.015 0.000 1.002 854 L HN 0.533 nan 8.230 nan 0.000 0.468 855 K N 1.362 121.844 120.400 0.136 0.000 2.203 855 K HA 0.351 4.671 4.320 0.001 0.000 0.251 855 K C -0.560 176.203 176.600 0.271 0.000 0.944 855 K CA -0.798 55.571 56.287 0.137 0.000 0.829 855 K CB 2.375 34.886 32.500 0.019 0.000 1.125 855 K HN -0.064 nan 8.250 nan 0.000 0.430 856 R N 0.517 121.126 120.500 0.181 0.000 2.502 856 R HA 0.245 4.586 4.340 0.001 0.000 0.292 856 R C 0.132 176.618 176.300 0.310 0.000 0.998 856 R CA 0.985 57.187 56.100 0.171 0.000 1.056 856 R CB -0.087 30.212 30.300 -0.002 0.000 0.939 856 R HN 0.840 nan 8.270 nan 0.000 0.411 857 G N 1.579 110.622 108.800 0.405 0.000 2.351 857 G HA2 0.217 4.178 3.960 0.001 0.000 0.279 857 G HA3 0.217 4.178 3.960 0.001 0.000 0.279 857 G C -1.785 173.248 174.900 0.221 0.000 1.297 857 G CA -0.423 44.851 45.100 0.290 0.000 0.886 857 G HN 0.515 nan 8.290 nan 0.000 0.493 858 V N 0.681 120.534 119.914 -0.102 0.000 2.540 858 V HA 0.740 4.860 4.120 0.001 0.000 0.302 858 V C -1.250 174.852 176.094 0.014 0.000 1.035 858 V CA -0.660 61.663 62.300 0.039 0.000 0.873 858 V CB 1.139 32.922 31.823 -0.067 0.000 0.992 858 V HN 0.655 nan 8.190 nan 0.000 0.428 859 Y N 1.248 121.653 120.300 0.175 0.000 2.536 859 Y HA 0.767 5.318 4.550 0.001 0.000 0.347 859 Y C 0.315 176.330 175.900 0.191 0.000 1.000 859 Y CA -1.227 56.998 58.100 0.208 0.000 1.051 859 Y CB 2.486 41.096 38.460 0.249 0.000 1.259 859 Y HN 0.506 nan 8.280 nan 0.000 0.468 860 T N 3.696 118.451 114.554 0.334 0.000 3.066 860 T HA 0.602 4.953 4.350 0.001 0.000 0.318 860 T C -0.793 174.065 174.700 0.263 0.000 0.979 860 T CA -0.389 61.880 62.100 0.282 0.000 1.025 860 T CB 0.120 69.094 68.868 0.176 0.000 1.002 860 T HN 0.389 nan 8.240 nan 0.000 0.453 861 I N 2.387 123.168 120.570 0.351 0.000 2.509 861 I HA 0.589 4.760 4.170 0.001 0.000 0.293 861 I C 0.067 176.483 176.117 0.499 0.000 1.020 861 I CA -0.995 60.498 61.300 0.322 0.000 1.088 861 I CB 2.283 40.367 38.000 0.140 0.000 1.267 861 I HN 0.284 nan 8.210 nan 0.000 0.430 862 R N 5.260 125.973 120.500 0.355 0.000 2.494 862 R HA 0.393 4.734 4.340 0.001 0.000 0.305 862 R C -0.850 175.657 176.300 0.344 0.000 0.959 862 R CA -0.821 55.477 56.100 0.329 0.000 0.864 862 R CB 1.605 32.003 30.300 0.163 0.000 1.159 862 R HN 0.558 nan 8.270 nan 0.000 0.446 863 K N 3.506 124.139 120.400 0.389 0.000 2.285 863 K HA 0.110 4.431 4.320 0.001 0.000 0.286 863 K C -0.962 175.636 176.600 -0.003 0.000 1.072 863 K CA -0.081 56.289 56.287 0.139 0.000 0.913 863 K CB 0.857 33.530 32.500 0.288 0.000 1.067 863 K HN 0.575 nan 8.250 nan 0.000 0.479 864 E N 3.742 123.884 120.200 -0.097 0.000 2.173 864 E HA 0.200 4.551 4.350 0.001 0.000 0.249 864 E C 0.350 176.897 176.600 -0.088 0.000 0.923 864 E CA -0.323 56.043 56.400 -0.057 0.000 0.754 864 E CB 1.225 30.907 29.700 -0.030 0.000 1.177 864 E HN 1.014 nan 8.360 nan 0.000 0.430 865 G N 3.834 112.595 108.800 -0.066 0.000 2.543 865 G HA2 -0.341 3.620 3.960 0.001 0.000 0.286 865 G HA3 -0.341 3.620 3.960 0.001 0.000 0.286 865 G C 0.399 175.240 174.900 -0.097 0.000 1.153 865 G CA 0.259 45.326 45.100 -0.054 0.000 0.968 865 G HN 0.584 nan 8.290 nan 0.000 0.544 866 D N 2.227 122.576 120.400 -0.084 0.000 2.369 866 D HA 0.190 4.831 4.640 0.001 0.000 0.211 866 D C 1.090 177.305 176.300 -0.141 0.000 1.077 866 D CA 0.489 54.440 54.000 -0.080 0.000 0.842 866 D CB 0.423 41.223 40.800 0.000 0.000 0.947 866 D HN 0.581 nan 8.370 nan 0.000 0.509 867 E N 0.011 120.096 120.200 -0.193 0.000 2.504 867 E HA 0.377 4.727 4.350 0.001 0.000 0.253 867 E C -0.706 175.659 176.600 -0.392 0.000 1.151 867 E CA -0.504 55.808 56.400 -0.146 0.000 0.972 867 E CB 1.185 30.852 29.700 -0.055 0.000 1.247 867 E HN -0.039 nan 8.360 nan 0.000 0.519 868 Y N 0.069 120.351 120.300 -0.032 0.000 2.298 868 Y HA 0.184 4.735 4.550 0.001 0.000 0.322 868 Y C -0.246 175.538 175.900 -0.193 0.000 1.138 868 Y CA -0.625 57.401 58.100 -0.124 0.000 1.127 868 Y CB 1.529 39.788 38.460 -0.334 0.000 1.178 868 Y HN 0.214 nan 8.280 nan 0.000 0.428 869 K N 4.754 125.174 120.400 0.033 0.000 2.312 869 K HA 0.575 4.895 4.320 0.001 0.000 0.287 869 K C -1.071 175.509 176.600 -0.033 0.000 1.062 869 K CA -0.056 56.229 56.287 -0.003 0.000 0.934 869 K CB 0.390 32.906 32.500 0.028 0.000 1.027 869 K HN 0.684 nan 8.250 nan 0.000 0.478 870 I N 3.431 123.950 120.570 -0.085 0.000 2.406 870 I HA 0.312 4.482 4.170 0.001 0.000 0.290 870 I C -0.465 175.664 176.117 0.019 0.000 0.999 870 I CA -0.745 60.507 61.300 -0.081 0.000 1.124 870 I CB 2.015 39.879 38.000 -0.227 0.000 1.289 870 I HN 0.608 nan 8.210 nan 0.000 0.441 871 A N 6.572 129.437 122.820 0.075 0.000 2.328 871 A HA 0.536 4.857 4.320 0.001 0.000 0.318 871 A C -1.340 176.308 177.584 0.106 0.000 1.347 871 A CA -0.349 51.733 52.037 0.075 0.000 0.842 871 A CB 0.284 19.317 19.000 0.054 0.000 1.148 871 A HN 0.633 nan 8.150 nan 0.000 0.499 872 Y N 2.472 122.744 120.300 -0.047 0.000 2.393 872 Y HA 0.660 5.210 4.550 0.001 0.000 0.341 872 Y C -1.594 174.278 175.900 -0.046 0.000 0.988 872 Y CA -1.379 56.615 58.100 -0.176 0.000 1.078 872 Y CB 1.474 39.761 38.460 -0.288 0.000 1.203 872 Y HN 0.622 nan 8.280 nan 0.000 0.453 873 Y N 5.948 125.442 120.300 -1.344 0.000 2.441 873 Y HA 0.326 4.877 4.550 0.001 0.000 0.334 873 Y C -1.473 173.833 175.900 -0.990 0.000 1.061 873 Y CA -1.252 56.275 58.100 -0.955 0.000 1.032 873 Y CB 1.468 39.651 38.460 -0.462 0.000 1.266 873 Y HN 0.791 nan 8.280 nan 0.000 0.441 874 N N 8.344 126.308 118.700 -1.227 0.000 2.527 874 N HA 0.252 4.992 4.740 0.001 0.000 0.236 874 N C -1.992 172.940 175.510 -0.963 0.000 0.999 874 N CA -2.177 50.415 53.050 -0.763 0.000 0.935 874 N CB 1.367 39.667 38.487 -0.312 0.000 1.132 874 N HN 0.410 nan 8.380 nan 0.000 0.511 875 P HA -0.182 nan 4.420 nan 0.000 0.218 875 P C 0.389 177.530 177.300 -0.265 0.000 1.146 875 P CA 1.364 64.153 63.100 -0.518 0.000 0.813 875 P CB 0.407 31.844 31.700 -0.438 0.000 0.778 876 E N -0.364 119.752 120.200 -0.139 0.000 2.107 876 E HA -0.084 4.267 4.350 0.001 0.000 0.191 876 E C 2.026 178.587 176.600 -0.067 0.000 0.982 876 E CA 1.849 58.233 56.400 -0.026 0.000 0.809 876 E CB -0.419 29.322 29.700 0.068 0.000 0.756 876 E HN 0.396 nan 8.360 nan 0.000 0.459 877 T N -2.438 112.041 114.554 -0.125 0.000 3.044 877 T HA 0.011 4.361 4.350 0.001 0.000 0.250 877 T C 0.676 175.302 174.700 -0.124 0.000 1.081 877 T CA -0.054 61.990 62.100 -0.095 0.000 1.040 877 T CB 0.173 68.997 68.868 -0.074 0.000 0.962 877 T HN 0.074 nan 8.240 nan 0.000 0.506 878 Q N 0.810 120.451 119.800 -0.265 0.000 2.475 878 Q HA -0.158 4.183 4.340 0.001 0.000 0.280 878 Q C -0.837 175.129 176.000 -0.058 0.000 1.234 878 Q CA 0.921 56.613 55.803 -0.185 0.000 0.873 878 Q CB -1.766 26.997 28.738 0.042 0.000 1.256 878 Q HN 0.791 nan 8.270 nan 0.000 0.475 879 E N -0.817 119.253 120.200 -0.217 0.000 2.416 879 E HA 0.609 4.960 4.350 0.001 0.000 0.273 879 E C -0.444 176.115 176.600 -0.067 0.000 0.935 879 E CA -0.403 55.977 56.400 -0.032 0.000 0.784 879 E CB 2.001 31.699 29.700 -0.003 0.000 1.301 879 E HN 0.065 nan 8.360 nan 0.000 0.454 880 S N 0.023 115.765 115.700 0.070 0.000 2.337 880 S HA 0.867 5.337 4.470 0.001 0.000 0.258 880 S C -0.703 174.040 174.600 0.237 0.000 1.178 880 S CA 0.408 58.685 58.200 0.128 0.000 1.023 880 S CB 0.814 64.102 63.200 0.146 0.000 1.136 880 S HN 0.660 nan 8.310 nan 0.000 0.458 881 A N 0.186 123.166 122.820 0.267 0.000 2.544 881 A HA 0.674 4.995 4.320 0.001 0.000 0.291 881 A C -3.161 174.465 177.584 0.070 0.000 1.055 881 A CA -1.075 51.045 52.037 0.137 0.000 0.651 881 A CB -0.116 18.922 19.000 0.063 0.000 1.296 881 A HN 0.566 nan 8.150 nan 0.000 0.431 882 P HA 0.310 nan 4.420 nan 0.000 0.278 882 P C -0.015 177.285 177.300 -0.000 0.000 1.238 882 P CA -0.307 62.804 63.100 0.018 0.000 0.794 882 P CB 0.633 32.343 31.700 0.016 0.000 0.955 883 D N 1.176 121.584 120.400 0.014 0.000 2.106 883 D HA -0.252 4.389 4.640 0.001 0.000 0.191 883 D C 1.549 177.896 176.300 0.079 0.000 0.997 883 D CA 1.361 55.378 54.000 0.029 0.000 0.834 883 D CB -0.163 40.644 40.800 0.011 0.000 0.956 883 D HN 0.589 nan 8.370 nan 0.000 0.448 884 Q N 0.874 120.712 119.800 0.063 0.000 2.217 884 Q HA -0.232 4.108 4.340 0.001 0.000 0.209 884 Q C 1.894 177.906 176.000 0.019 0.000 0.988 884 Q CA 1.382 57.217 55.803 0.053 0.000 0.878 884 Q CB -0.026 28.732 28.738 0.033 0.000 0.909 884 Q HN 0.360 nan 8.270 nan 0.000 0.424 885 E N -0.632 119.562 120.200 -0.010 0.000 2.216 885 E HA -0.108 4.242 4.350 0.001 0.000 0.192 885 E C 1.744 178.296 176.600 -0.080 0.000 0.988 885 E CA 1.241 57.612 56.400 -0.047 0.000 0.834 885 E CB 0.419 30.079 29.700 -0.066 0.000 0.772 885 E HN 0.426 nan 8.360 nan 0.000 0.479 886 V N -2.556 117.306 119.914 -0.086 0.000 3.604 886 V HA 0.325 4.445 4.120 0.001 0.000 0.277 886 V C 0.076 176.262 176.094 0.154 0.000 1.399 886 V CA -0.452 61.813 62.300 -0.057 0.000 1.034 886 V CB 0.132 31.715 31.823 -0.401 0.000 0.824 886 V HN 0.067 nan 8.190 nan 0.000 0.439 887 F N 1.512 121.428 119.950 -0.056 0.000 2.563 887 F HA 0.781 5.308 4.527 0.001 0.000 0.316 887 F C -0.603 175.140 175.800 -0.095 0.000 1.076 887 F CA -0.922 57.022 58.000 -0.094 0.000 0.921 887 F CB 1.966 40.881 39.000 -0.141 0.000 1.209 887 F HN -0.040 nan 8.300 nan 0.000 0.462 888 K N 5.605 125.440 120.400 -0.941 0.000 2.615 888 K HA 0.230 4.551 4.320 0.001 0.000 0.249 888 K C -1.375 174.699 176.600 -0.876 0.000 0.977 888 K CA -0.818 55.074 56.287 -0.659 0.000 0.833 888 K CB 1.550 33.860 32.500 -0.317 0.000 1.208 888 K HN 0.772 nan 8.250 nan 0.000 0.443 889 K N 4.957 125.021 120.400 -0.560 0.000 2.382 889 K HA 0.171 4.491 4.320 0.001 0.000 0.275 889 K C -0.472 176.026 176.600 -0.170 0.000 1.009 889 K CA -0.260 55.855 56.287 -0.286 0.000 0.970 889 K CB 0.541 33.078 32.500 0.062 0.000 0.934 889 K HN 0.551 nan 8.250 nan 0.000 0.479 890 L N 2.464 123.620 121.223 -0.112 0.000 2.399 890 L HA 0.464 4.804 4.340 0.001 0.000 0.266 890 L C 0.495 177.350 176.870 -0.026 0.000 1.114 890 L CA 0.146 54.934 54.840 -0.086 0.000 0.804 890 L CB 1.381 43.378 42.059 -0.104 0.000 1.146 890 L HN 0.992 nan 8.230 nan 0.000 0.451 891 E N 0.000 120.182 120.200 -0.029 0.000 2.725 891 E HA 0.000 4.350 4.350 0.001 0.000 0.291 891 E CA 0.000 nan 56.400 nan 0.000 0.976 891 E CB 0.000 nan 29.700 nan 0.000 0.812 891 E HN 0.000 nan 8.360 nan 0.000 0.440