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 1f9g_1_A DATA FIRST_RESID 170 DATA SEQUENCE VKDTYTDRLD DWNGIIAGNQ YYDSKNDQMA KLNQELEGKV ADSLSSISSQ DATA SEQUENCE ADRIYLWEKF SNYKTSANLT ATYRKLEEMA KQVTNPSSRY YQDETVVRTV DATA SEQUENCE RDSMEWMHKH VYNSEKSIVG NWWDYEIGTP RAINNTLSLM KEYFSDEEIK DATA SEQUENCE KYTDVIEKFV PDPEHFRKTT DNPFKALGGN LVDMGRVKVI AGLLRKDDQE DATA SEQUENCE ISSTIRSIEQ VFKLVDQGEG FYQDGSYIDH TNVAYTGAYG NVLIDGLSQL DATA SEQUENCE LPVIQKTKNP IDKDKMQTMY HWIDKSFAPL LVNGELMDMS RGRSISRANS DATA SEQUENCE EGHVAAVEVL RGIHRIADMS EGETKQRLQS LVKTIVQSDS YYDVFKNLKT DATA SEQUENCE YKDISLMQSL LSDAGVASVP RTSYLSAFNK MDKTAMYNAE KGFGFGLSLF DATA SEQUENCE SSRTLNYEHM NKENKRGWYT SDGMFYLYNG DLSHYSDGYW PTVNPYKMPG DATA SEQUENCE TTETDAKRAD SDTGKVLPSA FVGTSKLDDA NATATMDFTN WNQTLTAHKS DATA SEQUENCE WFMLKDKIAF LGSNIQNTST DTAATTIDQR KLESSNPYKV YVNDKEASLT DATA SEQUENCE EQEKDYPETQ SVFLESSDSK KNIGYFFFKK SSISMSKALQ KGAWKDINEG DATA SEQUENCE QSDKEVENEF LTISQAHKQN GDSYGYMLIP NVDRATFNQM IKELESSLIE DATA SEQUENCE NNETLQSVYD AKQGVWGIVK YDDSVSTISN QFQVLKRGVY TIRKEGDEYK DATA SEQUENCE IAYYNPETQE SAPDQEVFKK L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 170 V HA 0.000 nan 4.120 nan 0.000 0.244 170 V C 0.000 176.119 176.094 0.042 0.000 1.182 170 V CA 0.000 62.321 62.300 0.035 0.000 1.235 170 V CB 0.000 31.836 31.823 0.022 0.000 1.184 171 K N 2.354 122.787 120.400 0.054 0.000 3.851 171 K HA -0.143 4.075 4.320 -0.171 0.000 0.284 171 K C -0.165 176.474 176.600 0.064 0.000 1.048 171 K CA 1.682 58.001 56.287 0.054 0.000 0.862 171 K CB -0.972 31.548 32.500 0.034 0.000 1.439 171 K HN 1.129 nan 8.250 nan 0.000 0.446 172 D N -2.815 117.642 120.400 0.096 0.000 2.887 172 D HA 0.278 4.815 4.640 -0.171 0.000 0.221 172 D C 0.948 177.305 176.300 0.095 0.000 1.276 172 D CA 0.040 54.106 54.000 0.110 0.000 1.078 172 D CB -0.254 40.652 40.800 0.176 0.000 1.217 172 D HN -0.115 nan 8.370 nan 0.000 0.631 173 T N -2.502 112.099 114.554 0.079 0.000 3.067 173 T HA 0.053 4.300 4.350 -0.171 0.000 0.257 173 T C 0.984 175.629 174.700 -0.091 0.000 1.105 173 T CA 0.658 62.730 62.100 -0.045 0.000 1.104 173 T CB -0.475 68.300 68.868 -0.154 0.000 0.925 173 T HN 0.310 nan 8.240 nan 0.000 0.498 174 Y N 1.476 121.787 120.300 0.018 0.000 2.286 174 Y HA -0.029 4.417 4.550 -0.173 0.000 0.293 174 Y C 3.034 178.952 175.900 0.030 0.000 1.124 174 Y CA 1.482 59.591 58.100 0.016 0.000 1.178 174 Y CB -0.630 37.836 38.460 0.008 0.000 1.010 174 Y HN 0.326 nan 8.280 nan 0.000 0.536 175 T N -2.573 112.098 114.554 0.195 0.000 2.867 175 T HA -0.156 4.091 4.350 -0.171 0.000 0.268 175 T C 1.311 176.074 174.700 0.105 0.000 1.057 175 T CA 1.570 63.750 62.100 0.134 0.000 1.136 175 T CB -0.360 68.572 68.868 0.107 0.000 0.874 175 T HN 0.150 nan 8.240 nan 0.000 0.466 176 D N 1.124 121.571 120.400 0.079 0.000 2.097 176 D HA -0.029 4.509 4.640 -0.171 0.000 0.195 176 D C 2.517 178.859 176.300 0.070 0.000 0.989 176 D CA 0.868 54.902 54.000 0.058 0.000 0.827 176 D CB -0.192 40.624 40.800 0.026 0.000 0.966 176 D HN 0.252 nan 8.370 nan 0.000 0.456 177 R N 0.248 120.784 120.500 0.059 0.000 2.092 177 R HA 0.047 4.284 4.340 -0.171 0.000 0.231 177 R C 2.525 178.910 176.300 0.143 0.000 1.119 177 R CA 0.263 56.408 56.100 0.075 0.000 0.970 177 R CB -0.828 29.485 30.300 0.021 0.000 0.864 177 R HN 0.308 nan 8.270 nan 0.000 0.440 178 L N 0.789 122.101 121.223 0.148 0.000 2.141 178 L HA -0.166 4.072 4.340 -0.171 0.000 0.209 178 L C 1.790 178.799 176.870 0.232 0.000 1.094 178 L CA 1.052 56.015 54.840 0.205 0.000 0.763 178 L CB -0.388 41.772 42.059 0.167 0.000 0.908 178 L HN 0.074 nan 8.230 nan 0.000 0.437 179 D N 0.107 120.606 120.400 0.165 0.000 2.117 179 D HA -0.167 4.370 4.640 -0.171 0.000 0.198 179 D C 1.698 178.088 176.300 0.150 0.000 0.982 179 D CA 1.186 55.268 54.000 0.137 0.000 0.828 179 D CB -0.075 40.782 40.800 0.095 0.000 0.967 179 D HN 0.303 nan 8.370 nan 0.000 0.464 180 D N -0.080 120.421 120.400 0.167 0.000 2.117 180 D HA -0.143 4.394 4.640 -0.171 0.000 0.197 180 D C 1.857 178.297 176.300 0.233 0.000 0.987 180 D CA 0.415 54.521 54.000 0.177 0.000 0.829 180 D CB -0.515 40.385 40.800 0.166 0.000 0.961 180 D HN 0.406 nan 8.370 nan 0.000 0.460 181 W N 1.756 123.094 121.300 0.064 0.000 2.335 181 W HA -0.215 4.339 4.660 -0.178 0.000 0.311 181 W C 1.547 178.108 176.519 0.069 0.000 1.213 181 W CA 0.890 58.272 57.345 0.060 0.000 1.274 181 W CB -0.116 29.376 29.460 0.053 0.000 1.148 181 W HN -0.063 nan 8.180 nan 0.000 0.498 182 N N 0.435 119.210 118.700 0.125 0.000 2.137 182 N HA -0.151 4.486 4.740 -0.171 0.000 0.190 182 N C 1.848 177.351 175.510 -0.011 0.000 1.017 182 N CA 2.044 55.103 53.050 0.015 0.000 0.859 182 N CB -1.323 37.227 38.487 0.105 0.000 1.002 182 N HN 0.293 nan 8.380 nan 0.000 0.428 183 G N 0.152 108.989 108.800 0.061 0.000 2.471 183 G HA2 -0.091 3.767 3.960 -0.171 0.000 0.219 183 G HA3 -0.091 3.767 3.960 -0.171 0.000 0.219 183 G C 1.609 176.586 174.900 0.128 0.000 1.125 183 G CA 0.226 45.420 45.100 0.156 0.000 0.775 183 G HN 0.279 nan 8.290 nan 0.000 0.548 184 I N 0.810 121.343 120.570 -0.062 0.000 2.429 184 I HA 0.070 4.137 4.170 -0.171 0.000 0.247 184 I C 2.559 178.481 176.117 -0.325 0.000 1.099 184 I CA 0.582 61.769 61.300 -0.189 0.000 1.422 184 I CB -0.048 37.799 38.000 -0.255 0.000 1.112 184 I HN 0.247 nan 8.210 nan 0.000 0.430 185 I N -1.555 118.704 120.570 -0.518 0.000 2.876 185 I HA 0.116 4.183 4.170 -0.171 0.000 0.264 185 I C 2.024 177.979 176.117 -0.270 0.000 1.204 185 I CA 1.172 62.182 61.300 -0.484 0.000 1.485 185 I CB -0.139 37.446 38.000 -0.691 0.000 1.103 185 I HN 0.068 nan 8.210 nan 0.000 0.446 186 A N 1.118 123.830 122.820 -0.180 0.000 1.935 186 A HA 0.541 4.758 4.320 -0.171 0.000 0.202 186 A C 1.803 179.377 177.584 -0.018 0.000 1.772 186 A CA 0.685 52.653 52.037 -0.115 0.000 1.013 186 A CB -0.390 18.588 19.000 -0.036 0.000 1.077 186 A HN 0.718 nan 8.150 nan 0.000 0.565 187 G N 0.713 109.588 108.800 0.125 0.000 2.225 187 G HA2 -0.254 3.603 3.960 -0.171 0.000 0.264 187 G HA3 -0.254 3.603 3.960 -0.171 0.000 0.264 187 G C 0.370 175.554 174.900 0.473 0.000 1.060 187 G CA 0.587 45.915 45.100 0.379 0.000 0.833 187 G HN 0.343 nan 8.290 nan 0.000 0.498 188 N N 0.251 119.131 118.700 0.299 0.000 2.289 188 N HA -0.098 4.540 4.740 -0.171 0.000 0.184 188 N C 2.471 178.037 175.510 0.093 0.000 1.016 188 N CA 1.611 54.816 53.050 0.260 0.000 0.872 188 N CB -0.169 38.406 38.487 0.146 0.000 0.973 188 N HN 0.952 nan 8.380 nan 0.000 0.433 189 Q N -1.068 118.692 119.800 -0.066 0.000 2.436 189 Q HA -0.072 4.166 4.340 -0.171 0.000 0.209 189 Q C 0.531 176.328 176.000 -0.337 0.000 0.965 189 Q CA 1.049 56.699 55.803 -0.255 0.000 0.910 189 Q CB -0.240 28.249 28.738 -0.415 0.000 0.980 189 Q HN 0.418 nan 8.270 nan 0.000 0.491 190 Y N -1.142 119.215 120.300 0.095 0.000 2.458 190 Y HA 0.180 4.629 4.550 -0.168 0.000 0.256 190 Y C 0.146 176.036 175.900 -0.017 0.000 1.159 190 Y CA -1.153 56.980 58.100 0.055 0.000 1.261 190 Y CB 0.019 38.537 38.460 0.096 0.000 1.119 190 Y HN 0.105 nan 8.280 nan 0.000 0.524 191 Y N 2.505 122.741 120.300 -0.107 0.000 2.610 191 Y HA 0.184 4.632 4.550 -0.169 0.000 0.332 191 Y C -0.156 175.606 175.900 -0.230 0.000 1.201 191 Y CA -0.158 57.710 58.100 -0.386 0.000 1.465 191 Y CB 0.381 38.484 38.460 -0.596 0.000 1.283 191 Y HN 0.061 nan 8.280 nan 0.000 0.563 192 D N 2.916 122.687 120.400 -1.047 0.000 2.602 192 D HA 0.149 4.686 4.640 -0.171 0.000 0.245 192 D C 0.233 175.981 176.300 -0.920 0.000 1.325 192 D CA -0.129 53.467 54.000 -0.674 0.000 0.952 192 D CB 1.315 41.896 40.800 -0.364 0.000 1.317 192 D HN 0.547 nan 8.370 nan 0.000 0.577 193 S N 3.199 118.541 115.700 -0.596 0.000 2.442 193 S HA -0.122 4.245 4.470 -0.171 0.000 0.236 193 S C 1.327 175.790 174.600 -0.228 0.000 1.007 193 S CA 0.519 58.527 58.200 -0.321 0.000 0.965 193 S CB 0.040 63.212 63.200 -0.047 0.000 0.773 193 S HN 0.306 nan 8.310 nan 0.000 0.504 194 K N 2.047 122.315 120.400 -0.219 0.000 2.476 194 K HA 0.254 4.471 4.320 -0.171 0.000 0.196 194 K C 0.034 176.532 176.600 -0.170 0.000 1.025 194 K CA -0.081 56.114 56.287 -0.153 0.000 1.138 194 K CB -0.599 31.829 32.500 -0.119 0.000 0.860 194 K HN 0.353 nan 8.250 nan 0.000 0.515 195 N N 1.790 120.346 118.700 -0.240 0.000 2.527 195 N HA -0.002 4.635 4.740 -0.171 0.000 0.236 195 N C 0.212 175.608 175.510 -0.189 0.000 0.999 195 N CA 0.092 53.009 53.050 -0.221 0.000 0.935 195 N CB 1.098 39.419 38.487 -0.277 0.000 1.132 195 N HN -0.077 nan 8.380 nan 0.000 0.511 196 D N 1.799 122.104 120.400 -0.158 0.000 2.204 196 D HA -0.241 4.297 4.640 -0.171 0.000 0.189 196 D C 1.461 177.674 176.300 -0.145 0.000 1.006 196 D CA 1.870 55.785 54.000 -0.142 0.000 0.855 196 D CB 0.481 41.188 40.800 -0.154 0.000 0.946 196 D HN 0.560 nan 8.370 nan 0.000 0.448 197 Q N -0.780 118.888 119.800 -0.220 0.000 2.119 197 Q HA -0.082 4.156 4.340 -0.171 0.000 0.201 197 Q C 2.423 178.408 176.000 -0.026 0.000 0.972 197 Q CA 0.889 56.559 55.803 -0.221 0.000 0.847 197 Q CB -0.291 28.134 28.738 -0.522 0.000 0.903 197 Q HN 0.509 nan 8.270 nan 0.000 0.433 198 M N -0.042 119.552 119.600 -0.010 0.000 2.132 198 M HA -0.084 4.293 4.480 -0.171 0.000 0.263 198 M C 2.286 178.752 176.300 0.275 0.000 1.065 198 M CA 1.416 56.810 55.300 0.157 0.000 1.122 198 M CB -0.406 32.105 32.600 -0.147 0.000 1.365 198 M HN 0.146 nan 8.290 nan 0.000 0.411 199 A N 0.152 123.023 122.820 0.085 0.000 1.972 199 A HA -0.164 4.053 4.320 -0.171 0.000 0.219 199 A C 2.243 179.916 177.584 0.148 0.000 1.169 199 A CA 1.472 53.610 52.037 0.168 0.000 0.635 199 A CB -0.525 18.497 19.000 0.035 0.000 0.810 199 A HN 0.275 nan 8.150 nan 0.000 0.446 200 K N -0.509 119.945 120.400 0.091 0.000 2.026 200 K HA -0.121 4.096 4.320 -0.171 0.000 0.208 200 K C 1.952 178.615 176.600 0.105 0.000 1.048 200 K CA 1.633 57.960 56.287 0.066 0.000 0.929 200 K CB -0.526 31.985 32.500 0.020 0.000 0.713 200 K HN 0.453 nan 8.250 nan 0.000 0.439 201 L N 2.048 123.369 121.223 0.165 0.000 2.093 201 L HA -0.124 4.113 4.340 -0.171 0.000 0.208 201 L C 1.905 178.884 176.870 0.181 0.000 1.085 201 L CA 1.767 56.704 54.840 0.162 0.000 0.755 201 L CB -0.761 41.412 42.059 0.190 0.000 0.904 201 L HN 0.248 nan 8.230 nan 0.000 0.435 202 N N -0.888 117.980 118.700 0.280 0.000 2.188 202 N HA -0.253 4.384 4.740 -0.171 0.000 0.184 202 N C 1.906 177.472 175.510 0.094 0.000 1.018 202 N CA 1.209 54.369 53.050 0.182 0.000 0.858 202 N CB -0.045 38.486 38.487 0.074 0.000 0.989 202 N HN 0.631 nan 8.380 nan 0.000 0.426 203 Q N 0.763 120.619 119.800 0.093 0.000 2.119 203 Q HA -0.165 4.072 4.340 -0.171 0.000 0.201 203 Q C 1.875 177.905 176.000 0.051 0.000 0.972 203 Q CA 1.189 57.027 55.803 0.058 0.000 0.847 203 Q CB 0.002 28.769 28.738 0.048 0.000 0.903 203 Q HN 0.455 nan 8.270 nan 0.000 0.433 204 E N 0.105 120.336 120.200 0.051 0.000 2.072 204 E HA -0.174 4.073 4.350 -0.171 0.000 0.191 204 E C 2.050 178.665 176.600 0.025 0.000 0.985 204 E CA 0.684 57.102 56.400 0.031 0.000 0.801 204 E CB -0.049 29.665 29.700 0.024 0.000 0.750 204 E HN 0.390 nan 8.360 nan 0.000 0.452 205 L N 0.976 122.218 121.223 0.032 0.000 2.093 205 L HA -0.142 4.095 4.340 -0.171 0.000 0.208 205 L C 2.614 179.518 176.870 0.056 0.000 1.085 205 L CA 0.938 55.791 54.840 0.022 0.000 0.755 205 L CB -0.354 41.718 42.059 0.021 0.000 0.904 205 L HN 0.116 nan 8.230 nan 0.000 0.435 206 E N 0.273 120.530 120.200 0.096 0.000 2.077 206 E HA -0.175 4.073 4.350 -0.171 0.000 0.193 206 E C 2.194 178.895 176.600 0.169 0.000 0.989 206 E CA 1.451 57.962 56.400 0.186 0.000 0.800 206 E CB -0.343 29.430 29.700 0.121 0.000 0.746 206 E HN 0.544 nan 8.360 nan 0.000 0.452 207 G N 1.426 110.278 108.800 0.087 0.000 2.422 207 G HA2 -0.254 3.604 3.960 -0.171 0.000 0.218 207 G HA3 -0.254 3.604 3.960 -0.171 0.000 0.218 207 G C 1.638 176.555 174.900 0.028 0.000 1.140 207 G CA 0.656 45.791 45.100 0.059 0.000 0.775 207 G HN 0.192 nan 8.290 nan 0.000 0.545 208 K N -0.162 120.239 120.400 0.002 0.000 2.025 208 K HA 0.023 4.240 4.320 -0.171 0.000 0.207 208 K C 2.562 179.115 176.600 -0.078 0.000 1.049 208 K CA 0.971 57.229 56.287 -0.047 0.000 0.933 208 K CB -0.281 32.179 32.500 -0.067 0.000 0.714 208 K HN 0.161 nan 8.250 nan 0.000 0.438 209 V N 1.269 121.136 119.914 -0.079 0.000 2.490 209 V HA -0.249 3.768 4.120 -0.171 0.000 0.250 209 V C 2.235 178.222 176.094 -0.179 0.000 1.061 209 V CA 1.984 64.171 62.300 -0.188 0.000 1.064 209 V CB -0.601 31.023 31.823 -0.332 0.000 0.670 209 V HN 0.371 nan 8.190 nan 0.000 0.461 210 A N 0.096 122.901 122.820 -0.024 0.000 1.873 210 A HA -0.221 3.997 4.320 -0.171 0.000 0.215 210 A C 1.970 179.572 177.584 0.030 0.000 1.186 210 A CA 1.920 53.996 52.037 0.064 0.000 0.616 210 A CB -0.588 18.506 19.000 0.156 0.000 0.823 210 A HN 0.529 nan 8.150 nan 0.000 0.442 211 D N -0.057 120.351 120.400 0.013 0.000 2.178 211 D HA -0.062 4.475 4.640 -0.171 0.000 0.201 211 D C 2.160 178.482 176.300 0.036 0.000 0.980 211 D CA 1.494 55.502 54.000 0.013 0.000 0.842 211 D CB -0.327 40.466 40.800 -0.012 0.000 0.948 211 D HN 0.376 nan 8.370 nan 0.000 0.472 212 S N 0.016 115.716 115.700 -0.000 0.000 2.387 212 S HA 0.042 4.409 4.470 -0.171 0.000 0.226 212 S C 2.101 176.911 174.600 0.350 0.000 1.026 212 S CA 0.279 58.538 58.200 0.098 0.000 0.972 212 S CB 0.048 63.158 63.200 -0.150 0.000 0.814 212 S HN 0.233 nan 8.310 nan 0.000 0.477 213 L N 1.610 122.906 121.223 0.121 0.000 2.179 213 L HA -0.010 4.227 4.340 -0.171 0.000 0.208 213 L C 2.283 179.184 176.870 0.053 0.000 1.096 213 L CA 1.135 56.014 54.840 0.065 0.000 0.779 213 L CB -0.465 41.574 42.059 -0.034 0.000 0.922 213 L HN 0.373 nan 8.230 nan 0.000 0.443 214 S N -2.146 113.591 115.700 0.062 0.000 2.593 214 S HA -0.013 4.355 4.470 -0.171 0.000 0.217 214 S C 1.552 176.172 174.600 0.033 0.000 0.966 214 S CA 0.377 58.598 58.200 0.036 0.000 0.914 214 S CB 0.097 63.318 63.200 0.034 0.000 0.776 214 S HN 0.433 nan 8.310 nan 0.000 0.523 215 S N 0.087 115.841 115.700 0.091 0.000 2.666 215 S HA 0.377 4.744 4.470 -0.171 0.000 0.239 215 S C 0.265 174.854 174.600 -0.018 0.000 1.031 215 S CA -0.640 57.606 58.200 0.077 0.000 1.015 215 S CB -0.514 62.780 63.200 0.157 0.000 0.981 215 S HN 0.525 nan 8.310 nan 0.000 0.547 216 I N 2.449 122.968 120.570 -0.085 0.000 2.836 216 I HA 0.226 4.293 4.170 -0.171 0.000 0.285 216 I C -0.001 175.804 176.117 -0.519 0.000 1.174 216 I CA -0.013 60.921 61.300 -0.611 0.000 1.405 216 I CB 1.185 38.851 38.000 -0.555 0.000 1.385 216 I HN 0.135 nan 8.210 nan 0.000 0.594 217 S N 3.848 119.130 115.700 -0.696 0.000 2.481 217 S HA 0.177 4.545 4.470 -0.171 0.000 0.276 217 S C 0.442 174.797 174.600 -0.408 0.000 1.247 217 S CA -0.473 57.404 58.200 -0.538 0.000 1.053 217 S CB 0.426 63.228 63.200 -0.664 0.000 0.925 217 S HN 0.689 nan 8.310 nan 0.000 0.491 218 S N 3.106 118.644 115.700 -0.270 0.000 2.651 218 S HA 0.151 4.518 4.470 -0.171 0.000 0.246 218 S C 0.266 174.783 174.600 -0.140 0.000 1.039 218 S CA -0.766 57.316 58.200 -0.198 0.000 1.013 218 S CB 0.026 63.136 63.200 -0.150 0.000 0.861 218 S HN 0.828 nan 8.310 nan 0.000 0.485 219 Q N 1.265 120.983 119.800 -0.137 0.000 2.194 219 Q HA 0.772 5.009 4.340 -0.171 0.000 0.245 219 Q C -0.255 175.707 176.000 -0.064 0.000 0.993 219 Q CA -0.833 54.923 55.803 -0.078 0.000 0.930 219 Q CB 1.148 29.856 28.738 -0.050 0.000 1.238 219 Q HN 0.144 nan 8.270 nan 0.000 0.486 220 A N 1.642 124.446 122.820 -0.026 0.000 2.425 220 A HA 0.088 4.306 4.320 -0.171 0.000 0.242 220 A C 0.024 177.617 177.584 0.014 0.000 1.077 220 A CA 0.339 52.375 52.037 -0.002 0.000 0.781 220 A CB -0.296 18.712 19.000 0.012 0.000 1.020 220 A HN 0.977 nan 8.150 nan 0.000 0.494 221 D N -0.996 119.430 120.400 0.044 0.000 2.956 221 D HA -0.178 4.359 4.640 -0.171 0.000 0.206 221 D C 0.325 176.678 176.300 0.088 0.000 1.269 221 D CA 1.190 55.243 54.000 0.088 0.000 0.694 221 D CB -1.663 39.196 40.800 0.098 0.000 0.910 221 D HN 0.956 nan 8.370 nan 0.000 0.389 222 R N 1.672 122.191 120.500 0.031 0.000 2.707 222 R HA 0.548 4.785 4.340 -0.171 0.000 0.270 222 R C 1.555 177.987 176.300 0.221 0.000 1.083 222 R CA 0.260 56.389 56.100 0.047 0.000 1.182 222 R CB 0.029 30.223 30.300 -0.177 0.000 1.084 222 R HN 0.701 nan 8.270 nan 0.000 0.528 223 I N -2.740 118.016 120.570 0.310 0.000 3.976 223 I HA 0.429 4.497 4.170 -0.171 0.000 0.337 223 I C -0.819 175.640 176.117 0.570 0.000 1.359 223 I CA -0.438 61.071 61.300 0.349 0.000 1.098 223 I CB 0.245 38.251 38.000 0.010 0.000 1.027 223 I HN 0.656 nan 8.210 nan 0.000 0.394 224 Y N -1.551 118.789 120.300 0.066 0.000 2.573 224 Y HA 0.468 4.915 4.550 -0.171 0.000 0.328 224 Y C -0.489 175.158 175.900 -0.423 0.000 1.170 224 Y CA -2.599 55.548 58.100 0.077 0.000 1.078 224 Y CB 0.013 38.490 38.460 0.029 0.000 1.341 224 Y HN -0.156 nan 8.280 nan 0.000 0.459 225 L N 0.195 121.205 121.223 -0.355 0.000 2.102 225 L HA 0.129 4.366 4.340 -0.171 0.000 0.202 225 L C 0.067 176.373 176.870 -0.940 0.000 1.076 225 L CA 1.096 55.436 54.840 -0.832 0.000 0.761 225 L CB 0.228 41.861 42.059 -0.709 0.000 0.921 225 L HN 0.481 nan 8.230 nan 0.000 0.444 226 W N 0.062 121.295 121.300 -0.112 0.000 2.739 226 W HA 0.211 4.765 4.660 -0.176 0.000 0.331 226 W C 0.962 177.424 176.519 -0.095 0.000 1.049 226 W CA -0.654 56.626 57.345 -0.108 0.000 1.234 226 W CB 1.459 31.008 29.460 0.148 0.000 1.404 226 W HN 0.033 nan 8.180 nan 0.000 0.477 227 E N 1.999 122.171 120.200 -0.046 0.000 2.110 227 E HA -0.182 4.065 4.350 -0.171 0.000 0.193 227 E C 1.600 178.190 176.600 -0.017 0.000 0.988 227 E CA 1.180 57.645 56.400 0.108 0.000 0.804 227 E CB 0.244 29.991 29.700 0.079 0.000 0.745 227 E HN 0.393 nan 8.360 nan 0.000 0.458 228 K N -0.563 119.702 120.400 -0.225 0.000 2.360 228 K HA -0.119 4.098 4.320 -0.171 0.000 0.201 228 K C -0.095 175.991 176.600 -0.857 0.000 1.046 228 K CA 0.709 56.621 56.287 -0.625 0.000 0.945 228 K CB 0.044 31.959 32.500 -0.975 0.000 0.750 228 K HN 0.033 nan 8.250 nan 0.000 0.464 229 F N -0.606 119.384 119.950 0.066 0.000 2.566 229 F HA 0.149 4.574 4.527 -0.170 0.000 0.347 229 F C 0.863 176.584 175.800 -0.131 0.000 1.515 229 F CA -0.676 57.335 58.000 0.018 0.000 1.103 229 F CB 0.660 39.718 39.000 0.097 0.000 1.385 229 F HN -0.134 nan 8.300 nan 0.000 0.560 230 S N -1.522 114.123 115.700 -0.091 0.000 2.475 230 S HA 0.014 4.381 4.470 -0.171 0.000 0.224 230 S C 0.886 175.146 174.600 -0.567 0.000 1.042 230 S CA 0.063 58.102 58.200 -0.268 0.000 0.935 230 S CB -0.203 63.041 63.200 0.074 0.000 0.801 230 S HN 0.301 nan 8.310 nan 0.000 0.509 231 N N 1.589 120.125 118.700 -0.272 0.000 2.605 231 N HA 0.091 4.728 4.740 -0.171 0.000 0.282 231 N C -0.784 174.676 175.510 -0.084 0.000 1.206 231 N CA -0.295 52.673 53.050 -0.138 0.000 1.074 231 N CB -0.647 37.821 38.487 -0.033 0.000 1.434 231 N HN 0.329 nan 8.380 nan 0.000 0.506 232 Y N 0.942 121.346 120.300 0.174 0.000 2.542 232 Y HA 0.058 4.506 4.550 -0.170 0.000 0.326 232 Y C 1.838 177.843 175.900 0.175 0.000 1.218 232 Y CA 0.279 58.489 58.100 0.182 0.000 1.277 232 Y CB 0.061 38.640 38.460 0.198 0.000 1.064 232 Y HN 0.386 nan 8.280 nan 0.000 0.499 233 K N -0.700 119.841 120.400 0.235 0.000 2.334 233 K HA 0.103 4.320 4.320 -0.171 0.000 0.195 233 K C 0.152 176.864 176.600 0.187 0.000 1.045 233 K CA 0.415 56.822 56.287 0.200 0.000 1.004 233 K CB 0.383 32.966 32.500 0.138 0.000 0.837 233 K HN 0.029 nan 8.250 nan 0.000 0.510 234 T N 0.692 115.344 114.554 0.164 0.000 2.727 234 T HA 0.061 4.309 4.350 -0.171 0.000 0.298 234 T C 0.881 175.686 174.700 0.174 0.000 0.942 234 T CA -0.074 62.113 62.100 0.145 0.000 0.997 234 T CB 1.538 70.471 68.868 0.107 0.000 0.917 234 T HN -0.037 nan 8.240 nan 0.000 0.487 235 S N 3.248 119.060 115.700 0.186 0.000 2.392 235 S HA -0.237 4.131 4.470 -0.171 0.000 0.232 235 S C 2.398 177.053 174.600 0.092 0.000 1.041 235 S CA 1.594 59.897 58.200 0.173 0.000 1.026 235 S CB -0.290 63.040 63.200 0.217 0.000 0.845 235 S HN 0.862 nan 8.310 nan 0.000 0.465 236 A N 1.729 124.607 122.820 0.096 0.000 1.908 236 A HA -0.200 4.017 4.320 -0.171 0.000 0.218 236 A C 1.728 179.366 177.584 0.090 0.000 1.181 236 A CA 1.940 54.023 52.037 0.075 0.000 0.627 236 A CB -1.024 18.019 19.000 0.072 0.000 0.818 236 A HN 0.760 nan 8.150 nan 0.000 0.445 237 N N -0.738 118.065 118.700 0.171 0.000 2.430 237 N HA -0.135 4.502 4.740 -0.171 0.000 0.186 237 N C 1.375 177.028 175.510 0.238 0.000 1.032 237 N CA 0.848 54.050 53.050 0.253 0.000 0.893 237 N CB -0.177 38.459 38.487 0.249 0.000 0.957 237 N HN 0.347 nan 8.380 nan 0.000 0.442 238 L N 0.430 121.749 121.223 0.161 0.000 2.049 238 L HA -0.081 4.156 4.340 -0.171 0.000 0.203 238 L C 2.770 179.683 176.870 0.073 0.000 1.074 238 L CA 1.457 56.359 54.840 0.104 0.000 0.749 238 L CB -0.748 41.241 42.059 -0.117 0.000 0.907 238 L HN 0.228 nan 8.230 nan 0.000 0.439 239 T N -3.837 110.703 114.554 -0.023 0.000 3.067 239 T HA 0.069 4.316 4.350 -0.171 0.000 0.261 239 T C 1.718 176.363 174.700 -0.091 0.000 1.110 239 T CA 0.630 62.710 62.100 -0.033 0.000 1.113 239 T CB -0.189 68.642 68.868 -0.061 0.000 0.917 239 T HN 0.196 nan 8.240 nan 0.000 0.499 240 A N 1.159 123.853 122.820 -0.209 0.000 2.016 240 A HA 0.112 4.330 4.320 -0.171 0.000 0.217 240 A C 2.497 179.705 177.584 -0.628 0.000 1.162 240 A CA 1.544 53.271 52.037 -0.516 0.000 0.662 240 A CB -1.106 17.374 19.000 -0.866 0.000 0.812 240 A HN 0.510 nan 8.150 nan 0.000 0.450 241 T N -1.506 112.839 114.554 -0.348 0.000 2.812 241 T HA -0.063 4.185 4.350 -0.171 0.000 0.264 241 T C 1.637 176.243 174.700 -0.157 0.000 1.042 241 T CA 1.432 63.432 62.100 -0.166 0.000 1.140 241 T CB -0.359 68.589 68.868 0.133 0.000 0.870 241 T HN 0.547 nan 8.240 nan 0.000 0.445 242 Y N 1.008 121.249 120.300 -0.098 0.000 2.314 242 Y HA 0.063 4.508 4.550 -0.175 0.000 0.293 242 Y C 2.611 178.432 175.900 -0.133 0.000 1.129 242 Y CA 0.672 58.718 58.100 -0.090 0.000 1.201 242 Y CB -0.121 38.257 38.460 -0.137 0.000 0.999 242 Y HN -0.051 nan 8.280 nan 0.000 0.541 243 R N 0.674 121.146 120.500 -0.046 0.000 2.127 243 R HA -0.138 4.099 4.340 -0.171 0.000 0.238 243 R C 1.909 178.106 176.300 -0.172 0.000 1.134 243 R CA 1.421 57.452 56.100 -0.114 0.000 0.975 243 R CB -0.168 30.029 30.300 -0.172 0.000 0.865 243 R HN 0.227 nan 8.270 nan 0.000 0.447 244 K N -0.477 119.752 120.400 -0.284 0.000 2.155 244 K HA -0.008 4.209 4.320 -0.171 0.000 0.203 244 K C 1.704 178.187 176.600 -0.196 0.000 1.052 244 K CA 0.928 56.982 56.287 -0.388 0.000 0.948 244 K CB 0.039 32.006 32.500 -0.889 0.000 0.728 244 K HN 0.175 nan 8.250 nan 0.000 0.448 245 L N 0.520 121.703 121.223 -0.066 0.000 2.240 245 L HA -0.080 4.157 4.340 -0.171 0.000 0.211 245 L C 2.452 179.333 176.870 0.019 0.000 1.106 245 L CA 0.848 55.707 54.840 0.032 0.000 0.793 245 L CB -0.225 41.891 42.059 0.095 0.000 0.927 245 L HN 0.286 nan 8.230 nan 0.000 0.446 246 E N 0.848 121.048 120.200 0.000 0.000 2.072 246 E HA -0.216 4.031 4.350 -0.171 0.000 0.190 246 E C 1.820 178.407 176.600 -0.022 0.000 0.982 246 E CA 1.038 57.440 56.400 0.003 0.000 0.803 246 E CB 0.166 29.861 29.700 -0.008 0.000 0.755 246 E HN 0.505 nan 8.360 nan 0.000 0.453 247 E N 0.060 120.223 120.200 -0.061 0.000 2.153 247 E HA -0.189 4.059 4.350 -0.171 0.000 0.194 247 E C 2.113 178.680 176.600 -0.055 0.000 0.988 247 E CA 1.170 57.528 56.400 -0.069 0.000 0.811 247 E CB -0.054 29.581 29.700 -0.107 0.000 0.746 247 E HN 0.353 nan 8.360 nan 0.000 0.466 248 M N 0.110 119.673 119.600 -0.062 0.000 2.200 248 M HA -0.077 4.300 4.480 -0.171 0.000 0.265 248 M C 2.399 178.689 176.300 -0.018 0.000 1.066 248 M CA 1.108 56.367 55.300 -0.069 0.000 1.127 248 M CB -0.023 32.537 32.600 -0.067 0.000 1.379 248 M HN 0.126 nan 8.290 nan 0.000 0.420 249 A N 0.327 123.157 122.820 0.017 0.000 1.969 249 A HA -0.151 4.066 4.320 -0.171 0.000 0.218 249 A C 2.051 179.679 177.584 0.073 0.000 1.169 249 A CA 1.531 53.604 52.037 0.061 0.000 0.635 249 A CB -0.381 18.675 19.000 0.093 0.000 0.810 249 A HN 0.393 nan 8.150 nan 0.000 0.445 250 K N -0.793 119.634 120.400 0.046 0.000 2.025 250 K HA -0.102 4.115 4.320 -0.171 0.000 0.207 250 K C 2.282 178.933 176.600 0.084 0.000 1.049 250 K CA 1.348 57.666 56.287 0.051 0.000 0.933 250 K CB -0.105 32.398 32.500 0.004 0.000 0.714 250 K HN 0.331 nan 8.250 nan 0.000 0.438 251 Q N 0.360 120.208 119.800 0.079 0.000 2.123 251 Q HA -0.071 4.166 4.340 -0.171 0.000 0.199 251 Q C 2.168 178.279 176.000 0.185 0.000 0.966 251 Q CA 0.822 56.704 55.803 0.131 0.000 0.845 251 Q CB -0.416 28.426 28.738 0.174 0.000 0.907 251 Q HN 0.113 nan 8.270 nan 0.000 0.439 252 V N 1.686 121.683 119.914 0.138 0.000 2.759 252 V HA -0.152 3.866 4.120 -0.171 0.000 0.256 252 V C 1.656 177.881 176.094 0.217 0.000 1.080 252 V CA 2.128 64.502 62.300 0.123 0.000 1.101 252 V CB -0.355 31.449 31.823 -0.032 0.000 0.698 252 V HN 0.554 nan 8.190 nan 0.000 0.477 253 T N -3.348 111.359 114.554 0.256 0.000 3.054 253 T HA 0.127 4.374 4.350 -0.171 0.000 0.255 253 T C 0.644 175.546 174.700 0.336 0.000 1.035 253 T CA -0.073 62.228 62.100 0.335 0.000 0.941 253 T CB -0.597 68.418 68.868 0.244 0.000 1.026 253 T HN 0.513 nan 8.240 nan 0.000 0.533 254 N N 2.096 120.951 118.700 0.257 0.000 2.462 254 N HA 0.232 4.869 4.740 -0.171 0.000 0.242 254 N C -2.111 173.261 175.510 -0.231 0.000 1.010 254 N CA -2.273 50.790 53.050 0.021 0.000 0.939 254 N CB 1.610 40.084 38.487 -0.022 0.000 1.127 254 N HN -0.117 nan 8.380 nan 0.000 0.509 255 P HA -0.113 nan 4.420 nan 0.000 0.218 255 P C 0.433 177.405 177.300 -0.545 0.000 1.146 255 P CA 1.185 63.571 63.100 -1.190 0.000 0.820 255 P CB 0.311 31.562 31.700 -0.749 0.000 0.778 256 S N -1.854 113.653 115.700 -0.321 0.000 2.575 256 S HA 0.082 4.449 4.470 -0.171 0.000 0.215 256 S C 0.924 175.418 174.600 -0.178 0.000 0.966 256 S CA -0.114 57.970 58.200 -0.194 0.000 0.911 256 S CB -0.352 62.786 63.200 -0.103 0.000 0.780 256 S HN 0.132 nan 8.310 nan 0.000 0.514 257 S N 1.650 117.259 115.700 -0.151 0.000 2.586 257 S HA 0.216 4.583 4.470 -0.171 0.000 0.274 257 S C 1.258 175.814 174.600 -0.074 0.000 1.281 257 S CA -0.822 57.331 58.200 -0.079 0.000 1.035 257 S CB 0.737 63.957 63.200 0.033 0.000 0.962 257 S HN 0.528 nan 8.310 nan 0.000 0.512 258 R N 2.050 122.418 120.500 -0.220 0.000 2.316 258 R HA 0.007 4.244 4.340 -0.171 0.000 0.202 258 R C -0.050 176.016 176.300 -0.391 0.000 1.029 258 R CA 1.301 57.199 56.100 -0.337 0.000 1.018 258 R CB -0.395 29.606 30.300 -0.498 0.000 0.888 258 R HN 0.698 nan 8.270 nan 0.000 0.471 259 Y N -0.599 119.731 120.300 0.050 0.000 2.607 259 Y HA 0.176 4.621 4.550 -0.175 0.000 0.266 259 Y C -0.259 175.689 175.900 0.080 0.000 1.178 259 Y CA -1.637 56.488 58.100 0.041 0.000 1.226 259 Y CB -0.306 38.164 38.460 0.017 0.000 1.144 259 Y HN 0.008 nan 8.280 nan 0.000 0.528 260 Y N 2.755 123.093 120.300 0.063 0.000 2.650 260 Y HA 0.018 4.475 4.550 -0.155 0.000 0.331 260 Y C 0.987 176.922 175.900 0.058 0.000 1.165 260 Y CA -0.135 57.998 58.100 0.055 0.000 1.473 260 Y CB -0.097 38.377 38.460 0.023 0.000 1.224 260 Y HN 0.430 nan 8.280 nan 0.000 0.533 261 Q N 2.038 121.643 119.800 -0.325 0.000 2.450 261 Q HA -0.351 3.886 4.340 -0.171 0.000 0.255 261 Q C -0.526 175.391 176.000 -0.139 0.000 1.003 261 Q CA 1.266 56.890 55.803 -0.298 0.000 1.097 261 Q CB -1.285 27.165 28.738 -0.480 0.000 1.544 261 Q HN 0.835 nan 8.270 nan 0.000 0.531 262 D N 0.251 120.615 120.400 -0.060 0.000 2.417 262 D HA -0.010 4.527 4.640 -0.171 0.000 0.250 262 D C 1.131 177.392 176.300 -0.065 0.000 1.166 262 D CA 0.195 54.189 54.000 -0.010 0.000 0.881 262 D CB 0.824 41.686 40.800 0.103 0.000 1.164 262 D HN 0.034 nan 8.370 nan 0.000 0.467 263 E N 2.006 122.175 120.200 -0.051 0.000 2.110 263 E HA -0.132 4.115 4.350 -0.171 0.000 0.193 263 E C 1.530 178.087 176.600 -0.071 0.000 0.988 263 E CA 1.075 57.435 56.400 -0.067 0.000 0.804 263 E CB 0.065 29.742 29.700 -0.038 0.000 0.745 263 E HN 0.601 nan 8.360 nan 0.000 0.458 264 T N 0.489 115.018 114.554 -0.042 0.000 2.857 264 T HA -0.071 4.176 4.350 -0.171 0.000 0.266 264 T C 2.065 176.722 174.700 -0.071 0.000 1.048 264 T CA 0.939 63.013 62.100 -0.045 0.000 1.139 264 T CB -0.053 68.805 68.868 -0.017 0.000 0.874 264 T HN -0.022 nan 8.240 nan 0.000 0.455 265 V N 1.074 120.942 119.914 -0.076 0.000 2.307 265 V HA -0.117 3.901 4.120 -0.171 0.000 0.245 265 V C 2.634 178.633 176.094 -0.159 0.000 1.045 265 V CA 1.175 63.406 62.300 -0.114 0.000 1.024 265 V CB -0.615 31.143 31.823 -0.109 0.000 0.651 265 V HN 0.285 nan 8.190 nan 0.000 0.449 266 V N 0.173 119.948 119.914 -0.233 0.000 2.287 266 V HA -0.302 3.715 4.120 -0.171 0.000 0.248 266 V C 2.590 178.538 176.094 -0.243 0.000 1.053 266 V CA 2.638 64.715 62.300 -0.371 0.000 1.027 266 V CB -0.716 30.794 31.823 -0.522 0.000 0.646 266 V HN 0.533 nan 8.190 nan 0.000 0.447 267 R N -0.577 119.827 120.500 -0.160 0.000 2.092 267 R HA -0.143 4.094 4.340 -0.171 0.000 0.231 267 R C 2.356 178.611 176.300 -0.075 0.000 1.119 267 R CA 1.965 58.003 56.100 -0.105 0.000 0.970 267 R CB -0.512 29.745 30.300 -0.072 0.000 0.864 267 R HN 0.499 nan 8.270 nan 0.000 0.440 268 T N 0.429 114.937 114.554 -0.077 0.000 2.652 268 T HA -0.137 4.111 4.350 -0.171 0.000 0.267 268 T C 1.790 176.476 174.700 -0.025 0.000 1.039 268 T CA 1.704 63.767 62.100 -0.060 0.000 1.153 268 T CB -0.215 68.616 68.868 -0.061 0.000 0.863 268 T HN 0.045 nan 8.240 nan 0.000 0.428 269 V N 1.508 121.411 119.914 -0.018 0.000 2.233 269 V HA -0.239 3.778 4.120 -0.171 0.000 0.247 269 V C 2.621 178.779 176.094 0.107 0.000 1.050 269 V CA 1.878 64.208 62.300 0.050 0.000 1.010 269 V CB -0.580 31.277 31.823 0.057 0.000 0.637 269 V HN 0.413 nan 8.190 nan 0.000 0.444 270 R N -0.189 120.342 120.500 0.052 0.000 2.083 270 R HA -0.199 4.038 4.340 -0.171 0.000 0.237 270 R C 2.074 178.453 176.300 0.132 0.000 1.137 270 R CA 1.949 58.108 56.100 0.098 0.000 0.951 270 R CB -0.537 29.678 30.300 -0.141 0.000 0.851 270 R HN 0.500 nan 8.270 nan 0.000 0.434 271 D N -0.099 120.343 120.400 0.070 0.000 2.144 271 D HA -0.065 4.472 4.640 -0.171 0.000 0.200 271 D C 1.859 178.233 176.300 0.122 0.000 0.978 271 D CA 1.187 55.241 54.000 0.091 0.000 0.833 271 D CB -0.079 40.737 40.800 0.028 0.000 0.961 271 D HN 0.022 nan 8.370 nan 0.000 0.470 272 S N -0.241 115.502 115.700 0.072 0.000 2.428 272 S HA -0.059 4.308 4.470 -0.171 0.000 0.230 272 S C 1.834 176.513 174.600 0.133 0.000 1.014 272 S CA 0.504 58.748 58.200 0.074 0.000 0.957 272 S CB 0.024 63.228 63.200 0.007 0.000 0.784 272 S HN 0.203 nan 8.310 nan 0.000 0.499 273 M N 1.298 120.945 119.600 0.078 0.000 2.117 273 M HA -0.009 4.368 4.480 -0.171 0.000 0.262 273 M C 2.121 178.529 176.300 0.180 0.000 1.065 273 M CA 1.290 56.557 55.300 -0.056 0.000 1.114 273 M CB -1.238 31.027 32.600 -0.559 0.000 1.361 273 M HN 0.196 nan 8.290 nan 0.000 0.408 274 E N -1.010 119.381 120.200 0.318 0.000 2.017 274 E HA -0.235 4.012 4.350 -0.171 0.000 0.193 274 E C 1.848 178.728 176.600 0.468 0.000 0.997 274 E CA 1.361 58.055 56.400 0.490 0.000 0.804 274 E CB -0.539 29.399 29.700 0.396 0.000 0.757 274 E HN 0.627 nan 8.360 nan 0.000 0.448 275 W N 1.056 122.493 121.300 0.229 0.000 2.301 275 W HA -0.264 4.291 4.660 -0.175 0.000 0.325 275 W C 2.259 178.928 176.519 0.251 0.000 1.250 275 W CA 2.025 59.503 57.345 0.222 0.000 1.261 275 W CB -0.300 29.181 29.460 0.035 0.000 1.157 275 W HN 0.053 nan 8.180 nan 0.000 0.473 276 M N -0.647 119.182 119.600 0.382 0.000 2.108 276 M HA -0.267 4.111 4.480 -0.171 0.000 0.261 276 M C 2.266 178.668 176.300 0.171 0.000 1.066 276 M CA 2.209 57.604 55.300 0.157 0.000 1.107 276 M CB -2.210 30.446 32.600 0.093 0.000 1.356 276 M HN 0.328 nan 8.290 nan 0.000 0.406 277 H N 0.370 119.578 119.070 0.229 0.000 2.321 277 H HA -0.123 4.333 4.556 -0.166 0.000 0.300 277 H C 1.909 177.266 175.328 0.048 0.000 1.087 277 H CA 1.785 57.977 56.048 0.239 0.000 1.319 277 H CB 0.111 30.109 29.762 0.394 0.000 1.379 277 H HN 0.315 nan 8.280 nan 0.000 0.501 278 K N -0.740 119.589 120.400 -0.118 0.000 2.103 278 K HA -0.111 4.106 4.320 -0.171 0.000 0.204 278 K C 1.305 177.507 176.600 -0.662 0.000 1.052 278 K CA 1.524 57.554 56.287 -0.429 0.000 0.945 278 K CB 0.128 32.415 32.500 -0.355 0.000 0.722 278 K HN 0.534 nan 8.250 nan 0.000 0.443 279 H N -2.225 116.547 119.070 -0.496 0.000 2.986 279 H HA 0.134 4.586 4.556 -0.173 0.000 0.267 279 H C 1.008 176.065 175.328 -0.452 0.000 1.072 279 H CA -0.006 55.716 56.048 -0.543 0.000 1.202 279 H CB 0.930 30.165 29.762 -0.878 0.000 1.535 279 H HN -0.105 nan 8.280 nan 0.000 0.522 280 V N -1.663 118.094 119.914 -0.262 0.000 3.229 280 V HA 0.123 4.140 4.120 -0.171 0.000 0.239 280 V C -0.874 175.290 176.094 0.117 0.000 1.390 280 V CA 0.005 62.209 62.300 -0.160 0.000 1.231 280 V CB 0.717 32.280 31.823 -0.432 0.000 1.025 280 V HN 0.220 nan 8.190 nan 0.000 0.461 281 Y N 4.149 124.461 120.300 0.021 0.000 2.400 281 Y HA 0.595 5.041 4.550 -0.173 0.000 0.335 281 Y C -0.572 175.430 175.900 0.169 0.000 1.066 281 Y CA -1.078 57.113 58.100 0.152 0.000 1.285 281 Y CB 0.750 39.319 38.460 0.181 0.000 1.103 281 Y HN 0.426 nan 8.280 nan 0.000 0.490 282 N N 1.399 120.027 118.700 -0.119 0.000 0.000 282 N HA 0.239 4.876 4.740 -0.171 0.000 0.000 282 N C -0.212 175.182 175.510 -0.195 0.000 0.000 282 N CA -0.684 52.262 53.050 -0.173 0.000 0.000 282 N CB 1.502 39.818 38.487 -0.286 0.000 0.000 282 N HN 0.284 nan 8.380 nan 0.000 0.000 283 S N 0.257 115.843 115.700 -0.190 0.000 2.370 283 S HA -0.138 4.229 4.470 -0.171 0.000 0.226 283 S C 0.934 175.381 174.600 -0.257 0.000 1.033 283 S CA 1.438 59.487 58.200 -0.251 0.000 1.011 283 S CB -0.406 62.690 63.200 -0.174 0.000 0.852 283 S HN 0.586 nan 8.310 nan 0.000 0.457 284 E N 0.756 120.850 120.200 -0.177 0.000 2.405 284 E HA 0.054 4.302 4.350 -0.171 0.000 0.194 284 E C 0.127 176.667 176.600 -0.100 0.000 1.149 284 E CA 0.437 56.753 56.400 -0.139 0.000 0.933 284 E CB 0.198 29.829 29.700 -0.115 0.000 1.028 284 E HN 0.206 nan 8.360 nan 0.000 0.487 285 K N 0.087 120.433 120.400 -0.089 0.000 2.258 285 K HA 0.448 4.665 4.320 -0.171 0.000 0.236 285 K C -0.180 176.490 176.600 0.116 0.000 1.008 285 K CA -0.572 55.760 56.287 0.076 0.000 0.869 285 K CB 1.982 34.629 32.500 0.246 0.000 1.171 285 K HN -0.005 nan 8.250 nan 0.000 0.447 286 S N 0.458 116.292 115.700 0.223 0.000 2.570 286 S HA 0.488 4.855 4.470 -0.171 0.000 0.286 286 S C -0.105 174.521 174.600 0.045 0.000 1.099 286 S CA -0.867 57.454 58.200 0.202 0.000 0.913 286 S CB 0.618 63.854 63.200 0.060 0.000 1.085 286 S HN 0.475 nan 8.310 nan 0.000 0.480 287 I N 2.569 123.081 120.570 -0.096 0.000 2.826 287 I HA 0.123 4.190 4.170 -0.171 0.000 0.295 287 I C -0.678 175.176 176.117 -0.438 0.000 1.213 287 I CA 0.043 60.870 61.300 -0.789 0.000 1.436 287 I CB 0.288 38.100 38.000 -0.313 0.000 1.348 287 I HN 0.391 nan 8.210 nan 0.000 0.570 288 V N 5.748 125.384 119.914 -0.463 0.000 2.498 288 V HA 0.752 4.769 4.120 -0.171 0.000 0.283 288 V C 0.373 176.597 176.094 0.217 0.000 1.015 288 V CA -0.034 62.283 62.300 0.028 0.000 0.867 288 V CB 0.545 32.463 31.823 0.159 0.000 1.025 288 V HN 1.228 nan 8.190 nan 0.000 0.441 289 G N 4.913 113.813 108.800 0.167 0.000 2.443 289 G HA2 -0.164 3.693 3.960 -0.171 0.000 0.209 289 G HA3 -0.164 3.693 3.960 -0.171 0.000 0.209 289 G C -0.497 174.527 174.900 0.206 0.000 1.176 289 G CA -0.069 45.148 45.100 0.195 0.000 1.074 289 G HN 0.830 nan 8.290 nan 0.000 0.577 290 N N 1.398 120.223 118.700 0.207 0.000 2.530 290 N HA 0.359 4.997 4.740 -0.171 0.000 0.273 290 N C 1.585 177.232 175.510 0.229 0.000 1.173 290 N CA 0.255 53.414 53.050 0.181 0.000 0.967 290 N CB 0.291 38.813 38.487 0.059 0.000 1.109 290 N HN 0.696 nan 8.380 nan 0.000 0.453 291 W N 2.409 123.850 121.300 0.235 0.000 2.402 291 W HA -0.057 4.500 4.660 -0.171 0.000 0.286 291 W C 1.240 177.919 176.519 0.267 0.000 1.221 291 W CA -0.218 57.265 57.345 0.230 0.000 1.257 291 W CB -1.184 28.401 29.460 0.208 0.000 1.120 291 W HN 0.666 nan 8.180 nan 0.000 0.551 292 W N 3.197 123.616 121.300 -1.469 0.000 2.305 292 W HA -0.255 4.303 4.660 -0.170 0.000 0.308 292 W C 1.986 178.161 176.519 -0.574 0.000 1.226 292 W CA 2.869 59.373 57.345 -1.402 0.000 1.253 292 W CB -0.385 28.419 29.460 -1.093 0.000 1.146 292 W HN -0.152 nan 8.180 nan 0.000 0.507 293 D N -1.763 118.594 120.400 -0.072 0.000 2.183 293 D HA -0.173 4.365 4.640 -0.171 0.000 0.203 293 D C 1.665 177.761 176.300 -0.340 0.000 0.969 293 D CA 1.339 55.245 54.000 -0.156 0.000 0.842 293 D CB -0.553 40.207 40.800 -0.068 0.000 0.957 293 D HN 0.277 nan 8.370 nan 0.000 0.484 294 Y N 1.372 121.532 120.300 -0.233 0.000 2.475 294 Y HA 0.016 4.463 4.550 -0.170 0.000 0.289 294 Y C 2.058 177.857 175.900 -0.170 0.000 1.121 294 Y CA 0.695 58.625 58.100 -0.285 0.000 1.257 294 Y CB 0.281 38.401 38.460 -0.567 0.000 1.026 294 Y HN 0.028 nan 8.280 nan 0.000 0.555 295 E N -1.381 118.827 120.200 0.014 0.000 2.399 295 E HA 0.155 4.403 4.350 -0.171 0.000 0.205 295 E C 1.262 177.808 176.600 -0.090 0.000 0.906 295 E CA 0.566 57.042 56.400 0.126 0.000 0.998 295 E CB 0.468 30.451 29.700 0.471 0.000 1.002 295 E HN 0.386 nan 8.360 nan 0.000 0.501 296 I N 0.415 120.669 120.570 -0.527 0.000 3.632 296 I HA 0.149 4.216 4.170 -0.171 0.000 0.246 296 I C 2.396 178.011 176.117 -0.837 0.000 1.125 296 I CA 0.474 61.321 61.300 -0.754 0.000 1.519 296 I CB -0.683 36.526 38.000 -1.318 0.000 1.555 296 I HN 0.060 nan 8.210 nan 0.000 0.452 297 G N 1.184 109.194 108.800 -1.317 0.000 2.721 297 G HA2 -0.293 3.564 3.960 -0.171 0.000 0.218 297 G HA3 -0.293 3.564 3.960 -0.171 0.000 0.218 297 G C 1.583 176.227 174.900 -0.427 0.000 1.265 297 G CA 2.169 46.813 45.100 -0.760 0.000 0.796 297 G HN 0.271 nan 8.290 nan 0.000 0.620 298 T N 2.303 116.582 114.554 -0.457 0.000 2.684 298 T HA -0.079 4.168 4.350 -0.171 0.000 0.267 298 T C 0.270 174.634 174.700 -0.559 0.000 1.036 298 T CA 1.910 63.664 62.100 -0.575 0.000 1.148 298 T CB -0.926 67.404 68.868 -0.897 0.000 0.863 298 T HN 0.266 nan 8.240 nan 0.000 0.436 299 P HA -0.006 nan 4.420 nan 0.000 0.218 299 P C 1.443 178.635 177.300 -0.180 0.000 1.148 299 P CA 1.075 64.045 63.100 -0.217 0.000 0.822 299 P CB -0.008 31.646 31.700 -0.076 0.000 0.784 300 R N -0.545 119.839 120.500 -0.192 0.000 2.073 300 R HA 0.025 4.262 4.340 -0.171 0.000 0.229 300 R C 2.265 178.525 176.300 -0.066 0.000 1.120 300 R CA 1.423 57.463 56.100 -0.099 0.000 0.967 300 R CB -0.832 29.405 30.300 -0.105 0.000 0.862 300 R HN 0.114 nan 8.270 nan 0.000 0.436 301 A N 0.625 123.368 122.820 -0.128 0.000 1.969 301 A HA -0.091 4.126 4.320 -0.171 0.000 0.218 301 A C 2.026 179.566 177.584 -0.074 0.000 1.169 301 A CA 1.029 53.021 52.037 -0.076 0.000 0.635 301 A CB -0.313 18.648 19.000 -0.065 0.000 0.810 301 A HN 0.198 nan 8.150 nan 0.000 0.445 302 I N -0.338 120.116 120.570 -0.194 0.000 2.286 302 I HA -0.231 3.836 4.170 -0.171 0.000 0.245 302 I C 2.228 178.296 176.117 -0.081 0.000 1.104 302 I CA 1.276 62.471 61.300 -0.176 0.000 1.397 302 I CB -0.420 37.404 38.000 -0.293 0.000 1.072 302 I HN 0.428 nan 8.210 nan 0.000 0.417 303 N N 0.851 119.519 118.700 -0.055 0.000 2.058 303 N HA -0.192 4.445 4.740 -0.171 0.000 0.191 303 N C 1.556 177.111 175.510 0.074 0.000 1.037 303 N CA 1.343 54.389 53.050 -0.008 0.000 0.848 303 N CB -0.117 38.360 38.487 -0.017 0.000 1.021 303 N HN 0.252 nan 8.380 nan 0.000 0.422 304 N N 0.110 118.890 118.700 0.133 0.000 2.149 304 N HA -0.096 4.542 4.740 -0.171 0.000 0.188 304 N C 1.577 177.164 175.510 0.130 0.000 1.019 304 N CA 1.190 54.363 53.050 0.205 0.000 0.857 304 N CB -0.668 37.917 38.487 0.163 0.000 0.997 304 N HN 0.218 nan 8.380 nan 0.000 0.426 305 T N 1.276 115.872 114.554 0.071 0.000 2.777 305 T HA 0.030 4.277 4.350 -0.171 0.000 0.266 305 T C 1.951 176.693 174.700 0.070 0.000 1.040 305 T CA 0.689 62.831 62.100 0.069 0.000 1.141 305 T CB -0.150 68.745 68.868 0.045 0.000 0.868 305 T HN 0.164 nan 8.240 nan 0.000 0.444 306 L N 0.590 121.800 121.223 -0.022 0.000 2.217 306 L HA 0.030 4.267 4.340 -0.171 0.000 0.211 306 L C 2.800 179.724 176.870 0.090 0.000 1.107 306 L CA 0.675 55.471 54.840 -0.074 0.000 0.783 306 L CB -0.592 41.358 42.059 -0.181 0.000 0.919 306 L HN 0.249 nan 8.230 nan 0.000 0.442 307 S N 0.514 116.289 115.700 0.126 0.000 2.345 307 S HA -0.071 4.296 4.470 -0.171 0.000 0.219 307 S C 2.022 176.742 174.600 0.200 0.000 1.031 307 S CA 0.961 59.272 58.200 0.186 0.000 0.984 307 S CB -0.128 63.247 63.200 0.293 0.000 0.874 307 S HN 0.279 nan 8.310 nan 0.000 0.451 308 L N 0.512 121.851 121.223 0.192 0.000 2.046 308 L HA 0.044 4.281 4.340 -0.171 0.000 0.208 308 L C 1.998 179.005 176.870 0.228 0.000 1.077 308 L CA 1.151 56.100 54.840 0.181 0.000 0.747 308 L CB -0.282 41.864 42.059 0.145 0.000 0.896 308 L HN 0.351 nan 8.230 nan 0.000 0.432 309 M N -0.016 119.757 119.600 0.288 0.000 2.637 309 M HA 0.049 4.426 4.480 -0.171 0.000 0.286 309 M C 1.433 178.009 176.300 0.460 0.000 1.246 309 M CA -0.004 55.554 55.300 0.430 0.000 0.978 309 M CB 0.261 33.152 32.600 0.486 0.000 1.417 309 M HN 0.164 nan 8.290 nan 0.000 0.487 310 K N 0.147 120.727 120.400 0.299 0.000 2.281 310 K HA -0.150 4.068 4.320 -0.171 0.000 0.203 310 K C 0.753 177.457 176.600 0.174 0.000 1.046 310 K CA 1.336 57.774 56.287 0.250 0.000 0.938 310 K CB -0.222 32.375 32.500 0.163 0.000 0.737 310 K HN 0.469 nan 8.250 nan 0.000 0.458 311 E N -0.171 120.058 120.200 0.049 0.000 2.502 311 E HA -0.072 4.175 4.350 -0.171 0.000 0.194 311 E C 0.472 176.874 176.600 -0.330 0.000 1.062 311 E CA 0.479 56.781 56.400 -0.165 0.000 0.867 311 E CB 0.032 29.553 29.700 -0.298 0.000 0.888 311 E HN 0.472 nan 8.360 nan 0.000 0.510 312 Y N -1.254 119.055 120.300 0.016 0.000 2.444 312 Y HA 0.215 4.755 4.550 -0.016 0.000 0.249 312 Y C 0.252 175.972 175.900 -0.300 0.000 1.134 312 Y CA -0.164 57.841 58.100 -0.159 0.000 1.261 312 Y CB 0.607 38.914 38.460 -0.255 0.000 1.143 312 Y HN -0.126 nan 8.280 nan 0.000 0.523 313 F N -0.257 119.788 119.950 0.158 0.000 2.538 313 F HA 0.454 4.894 4.527 -0.145 0.000 0.325 313 F C 0.519 176.370 175.800 0.086 0.000 1.066 313 F CA -1.530 56.551 58.000 0.135 0.000 0.946 313 F CB 1.355 40.444 39.000 0.147 0.000 1.199 313 F HN -0.303 nan 8.300 nan 0.000 0.473 314 S N 0.404 116.279 115.700 0.291 0.000 2.610 314 S HA 0.220 4.587 4.470 -0.171 0.000 0.273 314 S C 0.539 175.223 174.600 0.141 0.000 1.274 314 S CA -0.772 57.523 58.200 0.159 0.000 1.023 314 S CB 1.234 64.499 63.200 0.108 0.000 0.962 314 S HN 0.600 nan 8.310 nan 0.000 0.523 315 D N 1.043 121.488 120.400 0.075 0.000 2.116 315 D HA -0.141 4.396 4.640 -0.171 0.000 0.193 315 D C 1.752 178.062 176.300 0.017 0.000 0.998 315 D CA 1.340 55.361 54.000 0.035 0.000 0.836 315 D CB -0.183 40.618 40.800 0.002 0.000 0.951 315 D HN 0.709 nan 8.370 nan 0.000 0.449 316 E N 0.560 120.766 120.200 0.011 0.000 2.160 316 E HA -0.182 4.065 4.350 -0.171 0.000 0.195 316 E C 1.921 178.496 176.600 -0.041 0.000 0.991 316 E CA 0.782 57.170 56.400 -0.020 0.000 0.810 316 E CB 0.024 29.713 29.700 -0.018 0.000 0.742 316 E HN 0.422 nan 8.360 nan 0.000 0.466 317 E N -0.162 120.056 120.200 0.029 0.000 2.107 317 E HA -0.087 4.160 4.350 -0.171 0.000 0.191 317 E C 2.144 178.775 176.600 0.051 0.000 0.982 317 E CA 0.574 56.998 56.400 0.041 0.000 0.809 317 E CB 0.053 29.965 29.700 0.354 0.000 0.756 317 E HN 0.225 nan 8.360 nan 0.000 0.459 318 I N 0.739 121.353 120.570 0.073 0.000 2.286 318 I HA -0.247 3.820 4.170 -0.171 0.000 0.245 318 I C 2.378 178.488 176.117 -0.012 0.000 1.104 318 I CA 0.944 62.261 61.300 0.028 0.000 1.397 318 I CB -0.107 37.900 38.000 0.011 0.000 1.072 318 I HN -0.011 nan 8.210 nan 0.000 0.417 319 K N 1.727 122.102 120.400 -0.043 0.000 2.001 319 K HA -0.290 3.928 4.320 -0.171 0.000 0.214 319 K C 2.217 178.763 176.600 -0.091 0.000 1.050 319 K CA 2.036 58.285 56.287 -0.064 0.000 0.934 319 K CB -0.199 32.260 32.500 -0.069 0.000 0.718 319 K HN 0.066 nan 8.250 nan 0.000 0.443 320 K N -0.765 119.531 120.400 -0.173 0.000 2.074 320 K HA -0.225 3.993 4.320 -0.171 0.000 0.209 320 K C 1.874 178.290 176.600 -0.307 0.000 1.048 320 K CA 1.875 57.989 56.287 -0.288 0.000 0.926 320 K CB -0.251 31.960 32.500 -0.483 0.000 0.713 320 K HN 0.244 nan 8.250 nan 0.000 0.444 321 Y N 0.686 120.907 120.300 -0.131 0.000 2.516 321 Y HA -0.062 4.379 4.550 -0.181 0.000 0.291 321 Y C 2.311 178.196 175.900 -0.025 0.000 1.131 321 Y CA 1.409 59.447 58.100 -0.104 0.000 1.281 321 Y CB -0.118 38.250 38.460 -0.153 0.000 1.013 321 Y HN 0.317 nan 8.280 nan 0.000 0.554 322 T N -4.578 110.026 114.554 0.084 0.000 3.044 322 T HA 0.012 4.259 4.350 -0.171 0.000 0.250 322 T C 1.319 176.044 174.700 0.042 0.000 1.081 322 T CA 0.362 62.498 62.100 0.059 0.000 1.040 322 T CB -0.001 68.874 68.868 0.013 0.000 0.962 322 T HN 0.045 nan 8.240 nan 0.000 0.506 323 D N 1.732 122.143 120.400 0.019 0.000 2.133 323 D HA -0.106 4.431 4.640 -0.171 0.000 0.195 323 D C 2.191 178.491 176.300 -0.000 0.000 0.997 323 D CA 0.971 54.968 54.000 -0.005 0.000 0.840 323 D CB -0.480 40.306 40.800 -0.022 0.000 0.947 323 D HN 0.292 nan 8.370 nan 0.000 0.452 324 V N 0.948 120.879 119.914 0.027 0.000 2.594 324 V HA -0.202 3.815 4.120 -0.171 0.000 0.253 324 V C 2.157 178.296 176.094 0.075 0.000 1.069 324 V CA 1.119 63.402 62.300 -0.029 0.000 1.082 324 V CB -0.308 31.443 31.823 -0.120 0.000 0.680 324 V HN 0.165 nan 8.190 nan 0.000 0.469 325 I N -0.351 120.303 120.570 0.140 0.000 2.439 325 I HA -0.098 3.970 4.170 -0.171 0.000 0.251 325 I C 2.560 178.750 176.117 0.122 0.000 1.139 325 I CA 1.051 62.464 61.300 0.189 0.000 1.438 325 I CB -0.384 37.689 38.000 0.123 0.000 1.085 325 I HN 0.298 nan 8.210 nan 0.000 0.427 326 E N 1.043 121.271 120.200 0.047 0.000 2.072 326 E HA -0.212 4.036 4.350 -0.171 0.000 0.191 326 E C 2.000 178.588 176.600 -0.020 0.000 0.985 326 E CA 0.914 57.317 56.400 0.005 0.000 0.801 326 E CB -0.374 29.312 29.700 -0.023 0.000 0.750 326 E HN 0.312 nan 8.360 nan 0.000 0.452 327 K N 0.291 120.647 120.400 -0.073 0.000 1.991 327 K HA -0.140 4.077 4.320 -0.171 0.000 0.212 327 K C 2.086 178.579 176.600 -0.179 0.000 1.049 327 K CA 1.266 57.434 56.287 -0.198 0.000 0.932 327 K CB -0.441 31.832 32.500 -0.378 0.000 0.717 327 K HN 0.084 nan 8.250 nan 0.000 0.441 328 F N 0.630 120.589 119.950 0.015 0.000 2.234 328 F HA -0.061 4.363 4.527 -0.173 0.000 0.299 328 F C 1.218 177.075 175.800 0.095 0.000 1.087 328 F CA 0.568 58.616 58.000 0.081 0.000 1.340 328 F CB 0.234 39.339 39.000 0.174 0.000 1.031 328 F HN -0.220 nan 8.300 nan 0.000 0.500 329 V N 1.857 121.911 119.914 0.233 0.000 2.384 329 V HA 0.177 4.194 4.120 -0.171 0.000 0.257 329 V C -1.797 174.313 176.094 0.026 0.000 0.969 329 V CA -0.818 61.558 62.300 0.128 0.000 0.910 329 V CB 0.819 32.734 31.823 0.154 0.000 1.150 329 V HN -0.058 nan 8.190 nan 0.000 0.481 330 P HA 0.097 nan 4.420 nan 0.000 0.230 330 P C 0.202 177.470 177.300 -0.054 0.000 1.168 330 P CA 0.609 63.689 63.100 -0.033 0.000 0.793 330 P CB 0.762 32.437 31.700 -0.041 0.000 0.851 331 D N 1.292 121.647 120.400 -0.075 0.000 2.373 331 D HA 0.171 4.709 4.640 -0.171 0.000 0.227 331 D C -1.729 174.462 176.300 -0.182 0.000 1.091 331 D CA -2.556 51.389 54.000 -0.091 0.000 0.840 331 D CB 1.307 42.077 40.800 -0.049 0.000 1.060 331 D HN 0.018 nan 8.370 nan 0.000 0.502 332 P HA 0.055 nan 4.420 nan 0.000 0.249 332 P C 0.250 177.388 177.300 -0.270 0.000 1.241 332 P CA 0.417 63.390 63.100 -0.213 0.000 0.781 332 P CB 0.637 32.263 31.700 -0.123 0.000 1.088 333 E N -1.047 118.983 120.200 -0.284 0.000 2.399 333 E HA 0.080 4.328 4.350 -0.171 0.000 0.205 333 E C -0.003 176.183 176.600 -0.690 0.000 0.906 333 E CA 0.426 56.586 56.400 -0.400 0.000 0.998 333 E CB 0.265 29.778 29.700 -0.313 0.000 1.002 333 E HN 0.489 nan 8.360 nan 0.000 0.501 334 H N -1.320 117.508 119.070 -0.402 0.000 2.797 334 H HA 0.463 4.916 4.556 -0.172 0.000 0.372 334 H C -1.090 173.808 175.328 -0.718 0.000 1.168 334 H CA -0.565 55.195 56.048 -0.480 0.000 1.163 334 H CB 1.315 30.902 29.762 -0.293 0.000 1.778 334 H HN -0.177 nan 8.280 nan 0.000 0.551 335 F N -0.109 119.453 119.950 -0.647 0.000 2.579 335 F HA 0.444 4.867 4.527 -0.172 0.000 0.324 335 F C 0.719 176.184 175.800 -0.559 0.000 1.058 335 F CA -0.882 56.698 58.000 -0.701 0.000 0.944 335 F CB 1.491 39.710 39.000 -1.302 0.000 1.245 335 F HN 0.497 nan 8.300 nan 0.000 0.477 336 R N 0.859 121.358 120.500 -0.002 0.000 3.651 336 R HA -0.215 4.022 4.340 -0.171 0.000 0.292 336 R C 1.239 177.550 176.300 0.019 0.000 1.161 336 R CA 0.438 56.558 56.100 0.034 0.000 0.787 336 R CB -0.731 29.524 30.300 -0.074 0.000 1.249 336 R HN 0.602 nan 8.270 nan 0.000 0.476 337 K N -0.098 120.311 120.400 0.014 0.000 2.211 337 K HA -0.106 4.111 4.320 -0.171 0.000 0.203 337 K C 1.943 178.543 176.600 -0.001 0.000 1.050 337 K CA 1.836 58.106 56.287 -0.027 0.000 0.945 337 K CB 0.039 32.513 32.500 -0.044 0.000 0.732 337 K HN 0.425 nan 8.250 nan 0.000 0.451 338 T N -0.236 114.355 114.554 0.062 0.000 2.951 338 T HA -0.073 4.175 4.350 -0.171 0.000 0.268 338 T C 1.316 176.044 174.700 0.046 0.000 1.073 338 T CA 1.292 63.424 62.100 0.052 0.000 1.134 338 T CB -0.247 68.703 68.868 0.136 0.000 0.884 338 T HN 0.321 nan 8.240 nan 0.000 0.479 339 T N -0.739 113.853 114.554 0.064 0.000 2.833 339 T HA 0.263 4.510 4.350 -0.171 0.000 0.312 339 T C 0.743 175.450 174.700 0.012 0.000 1.085 339 T CA -0.248 61.880 62.100 0.045 0.000 0.955 339 T CB 0.350 69.255 68.868 0.063 0.000 1.353 339 T HN 0.005 nan 8.240 nan 0.000 0.544 340 D N 0.326 120.732 120.400 0.010 0.000 2.305 340 D HA 0.055 4.593 4.640 -0.171 0.000 0.206 340 D C 0.102 176.397 176.300 -0.009 0.000 0.974 340 D CA 0.559 54.556 54.000 -0.004 0.000 0.871 340 D CB 0.022 40.821 40.800 -0.001 0.000 0.947 340 D HN 0.515 nan 8.370 nan 0.000 0.516 341 N N 2.140 120.839 118.700 -0.001 0.000 2.844 341 N HA 0.190 4.827 4.740 -0.171 0.000 0.268 341 N C -2.595 172.925 175.510 0.018 0.000 1.574 341 N CA -0.918 52.132 53.050 0.000 0.000 0.838 341 N CB 2.097 40.583 38.487 -0.001 0.000 1.177 341 N HN 0.094 nan 8.380 nan 0.000 0.495 342 P HA 0.212 nan 4.420 nan 0.000 0.272 342 P C -0.556 176.808 177.300 0.108 0.000 1.254 342 P CA -0.093 63.002 63.100 -0.008 0.000 0.795 342 P CB 0.535 32.179 31.700 -0.093 0.000 1.022 343 F N -3.406 116.540 119.950 -0.005 0.000 2.631 343 F HA 0.553 4.977 4.527 -0.171 0.000 0.308 343 F C -0.689 175.196 175.800 0.142 0.000 1.097 343 F CA -1.582 56.441 58.000 0.038 0.000 0.952 343 F CB 1.368 40.321 39.000 -0.079 0.000 1.307 343 F HN 0.060 nan 8.300 nan 0.000 0.450 344 K N 2.445 123.007 120.400 0.270 0.000 2.379 344 K HA 0.579 4.796 4.320 -0.171 0.000 0.284 344 K C -0.269 176.364 176.600 0.055 0.000 1.044 344 K CA -0.129 56.134 56.287 -0.041 0.000 0.974 344 K CB 0.840 33.324 32.500 -0.027 0.000 0.962 344 K HN 0.935 nan 8.250 nan 0.000 0.474 345 A N 5.917 128.648 122.820 -0.149 0.000 2.404 345 A HA 0.415 4.632 4.320 -0.171 0.000 0.273 345 A C -0.560 177.077 177.584 0.089 0.000 1.144 345 A CA -0.229 51.862 52.037 0.090 0.000 0.806 345 A CB 0.014 18.943 19.000 -0.120 0.000 1.080 345 A HN 0.726 nan 8.150 nan 0.000 0.509 346 L N 1.999 123.333 121.223 0.186 0.000 2.469 346 L HA 0.667 4.904 4.340 -0.171 0.000 0.256 346 L C 1.016 177.957 176.870 0.118 0.000 1.006 346 L CA -0.233 54.666 54.840 0.099 0.000 0.832 346 L CB 1.937 44.024 42.059 0.046 0.000 1.421 346 L HN 1.190 nan 8.230 nan 0.000 0.410 347 G N 1.005 109.848 108.800 0.073 0.000 2.611 347 G HA2 -0.307 3.550 3.960 -0.171 0.000 0.301 347 G HA3 -0.307 3.550 3.960 -0.171 0.000 0.301 347 G C 0.856 175.831 174.900 0.124 0.000 1.233 347 G CA 0.630 45.785 45.100 0.092 0.000 0.993 347 G HN 1.100 nan 8.290 nan 0.000 0.553 348 G N -0.034 108.869 108.800 0.172 0.000 2.529 348 G HA2 -0.281 3.576 3.960 -0.171 0.000 0.219 348 G HA3 -0.281 3.576 3.960 -0.171 0.000 0.219 348 G C 1.577 176.621 174.900 0.240 0.000 1.177 348 G CA 1.749 46.964 45.100 0.192 0.000 0.773 348 G HN 0.873 nan 8.290 nan 0.000 0.573 349 N N -0.125 118.761 118.700 0.310 0.000 2.223 349 N HA -0.081 4.557 4.740 -0.171 0.000 0.185 349 N C 1.974 177.763 175.510 0.465 0.000 1.016 349 N CA 0.719 53.988 53.050 0.365 0.000 0.863 349 N CB -0.135 38.614 38.487 0.437 0.000 0.983 349 N HN 0.247 nan 8.380 nan 0.000 0.429 350 L N 0.559 121.985 121.223 0.338 0.000 2.141 350 L HA -0.006 4.231 4.340 -0.171 0.000 0.209 350 L C 1.779 178.745 176.870 0.160 0.000 1.094 350 L CA 1.206 56.182 54.840 0.228 0.000 0.763 350 L CB -0.271 41.856 42.059 0.113 0.000 0.908 350 L HN -0.021 nan 8.230 nan 0.000 0.437 351 V N -0.612 119.390 119.914 0.146 0.000 2.488 351 V HA -0.176 3.841 4.120 -0.171 0.000 0.246 351 V C 2.090 178.262 176.094 0.131 0.000 1.046 351 V CA 1.625 63.990 62.300 0.109 0.000 1.053 351 V CB -0.455 31.422 31.823 0.091 0.000 0.679 351 V HN 0.401 nan 8.190 nan 0.000 0.458 352 D N -0.607 119.897 120.400 0.172 0.000 2.263 352 D HA -0.163 4.374 4.640 -0.171 0.000 0.208 352 D C 1.935 178.342 176.300 0.179 0.000 0.971 352 D CA 1.047 55.135 54.000 0.147 0.000 0.867 352 D CB -0.022 40.847 40.800 0.116 0.000 0.929 352 D HN 0.381 nan 8.370 nan 0.000 0.492 353 M N -0.247 119.516 119.600 0.272 0.000 2.229 353 M HA 0.027 4.405 4.480 -0.171 0.000 0.264 353 M C 1.826 178.157 176.300 0.051 0.000 1.063 353 M CA 1.493 56.908 55.300 0.192 0.000 1.114 353 M CB -0.222 32.410 32.600 0.053 0.000 1.387 353 M HN -0.049 nan 8.290 nan 0.000 0.420 354 G N -0.592 108.235 108.800 0.044 0.000 2.403 354 G HA2 -0.159 3.698 3.960 -0.171 0.000 0.216 354 G HA3 -0.159 3.698 3.960 -0.171 0.000 0.216 354 G C 1.677 176.546 174.900 -0.051 0.000 1.154 354 G CA 0.388 45.485 45.100 -0.004 0.000 0.784 354 G HN 0.432 nan 8.290 nan 0.000 0.538 355 R N -0.567 119.924 120.500 -0.014 0.000 2.189 355 R HA 0.081 4.318 4.340 -0.171 0.000 0.223 355 R C 2.357 178.606 176.300 -0.085 0.000 1.092 355 R CA 0.580 56.648 56.100 -0.052 0.000 0.989 355 R CB -0.025 30.322 30.300 0.079 0.000 0.876 355 R HN 0.327 nan 8.270 nan 0.000 0.457 356 V N 0.010 119.898 119.914 -0.043 0.000 2.492 356 V HA -0.065 3.952 4.120 -0.171 0.000 0.241 356 V C 1.600 177.660 176.094 -0.057 0.000 1.041 356 V CA 1.364 63.640 62.300 -0.041 0.000 1.057 356 V CB 0.028 31.858 31.823 0.012 0.000 0.711 356 V HN 0.195 nan 8.190 nan 0.000 0.468 357 K N -0.544 119.823 120.400 -0.054 0.000 2.356 357 K HA 0.125 4.342 4.320 -0.171 0.000 0.195 357 K C 1.853 178.408 176.600 -0.076 0.000 1.037 357 K CA 0.401 56.653 56.287 -0.057 0.000 1.014 357 K CB 0.505 32.974 32.500 -0.050 0.000 0.815 357 K HN 0.243 nan 8.250 nan 0.000 0.507 358 V N 1.701 121.549 119.914 -0.109 0.000 2.535 358 V HA -0.160 3.857 4.120 -0.171 0.000 0.246 358 V C 2.022 178.010 176.094 -0.176 0.000 1.045 358 V CA 1.152 63.378 62.300 -0.123 0.000 1.058 358 V CB -0.160 31.579 31.823 -0.141 0.000 0.689 358 V HN 0.200 nan 8.190 nan 0.000 0.461 359 I N 0.819 121.222 120.570 -0.278 0.000 2.233 359 I HA -0.093 3.974 4.170 -0.171 0.000 0.243 359 I C 2.722 178.742 176.117 -0.161 0.000 1.093 359 I CA 1.755 62.855 61.300 -0.333 0.000 1.380 359 I CB -1.807 35.890 38.000 -0.506 0.000 1.067 359 I HN 0.272 nan 8.210 nan 0.000 0.413 360 A N 1.092 123.842 122.820 -0.117 0.000 1.978 360 A HA -0.094 4.124 4.320 -0.171 0.000 0.220 360 A C 2.451 180.003 177.584 -0.053 0.000 1.170 360 A CA 1.855 53.852 52.037 -0.066 0.000 0.636 360 A CB -1.279 17.694 19.000 -0.045 0.000 0.810 360 A HN 0.451 nan 8.150 nan 0.000 0.448 361 G N -0.773 107.998 108.800 -0.048 0.000 2.464 361 G HA2 0.002 3.859 3.960 -0.171 0.000 0.217 361 G HA3 0.002 3.859 3.960 -0.171 0.000 0.217 361 G C 1.488 176.404 174.900 0.026 0.000 1.138 361 G CA 0.753 45.842 45.100 -0.017 0.000 0.793 361 G HN 0.428 nan 8.290 nan 0.000 0.539 362 L N -0.224 121.021 121.223 0.036 0.000 2.131 362 L HA 0.151 4.388 4.340 -0.171 0.000 0.206 362 L C 2.783 179.691 176.870 0.063 0.000 1.087 362 L CA 0.326 55.263 54.840 0.162 0.000 0.767 362 L CB -0.192 41.912 42.059 0.074 0.000 0.917 362 L HN 0.174 nan 8.230 nan 0.000 0.441 363 L N -0.609 120.607 121.223 -0.011 0.000 2.056 363 L HA -0.162 4.075 4.340 -0.171 0.000 0.207 363 L C 2.372 179.193 176.870 -0.082 0.000 1.078 363 L CA 1.262 56.085 54.840 -0.029 0.000 0.749 363 L CB -0.319 41.723 42.059 -0.029 0.000 0.901 363 L HN 0.186 nan 8.230 nan 0.000 0.433 364 R N 0.095 120.536 120.500 -0.099 0.000 2.310 364 R HA 0.028 4.265 4.340 -0.171 0.000 0.202 364 R C 0.130 176.290 176.300 -0.234 0.000 0.933 364 R CA -0.044 55.980 56.100 -0.127 0.000 1.054 364 R CB 0.089 30.338 30.300 -0.085 0.000 0.985 364 R HN 0.148 nan 8.270 nan 0.000 0.489 365 K N 1.275 121.437 120.400 -0.398 0.000 3.071 365 K HA -0.173 4.044 4.320 -0.171 0.000 0.265 365 K C -0.674 175.657 176.600 -0.448 0.000 1.060 365 K CA 0.808 56.527 56.287 -0.946 0.000 0.767 365 K CB -0.992 30.945 32.500 -0.938 0.000 1.241 365 K HN 0.169 nan 8.250 nan 0.000 0.486 366 D N 0.875 121.188 120.400 -0.145 0.000 2.485 366 D HA 0.097 4.634 4.640 -0.171 0.000 0.221 366 D C 0.618 176.965 176.300 0.077 0.000 1.112 366 D CA -0.337 53.647 54.000 -0.027 0.000 0.911 366 D CB 0.753 41.532 40.800 -0.035 0.000 1.019 366 D HN 0.012 nan 8.370 nan 0.000 0.516 367 D N 1.724 122.203 120.400 0.131 0.000 2.149 367 D HA -0.182 4.356 4.640 -0.171 0.000 0.198 367 D C 1.572 177.908 176.300 0.060 0.000 0.990 367 D CA 0.812 54.892 54.000 0.132 0.000 0.839 367 D CB 0.364 41.237 40.800 0.122 0.000 0.948 367 D HN 0.468 nan 8.370 nan 0.000 0.460 368 Q N 0.747 120.569 119.800 0.036 0.000 2.050 368 Q HA -0.179 4.059 4.340 -0.171 0.000 0.202 368 Q C 1.990 177.994 176.000 0.007 0.000 0.980 368 Q CA 1.352 57.163 55.803 0.014 0.000 0.840 368 Q CB -0.234 28.506 28.738 0.003 0.000 0.898 368 Q HN 0.456 nan 8.270 nan 0.000 0.424 369 E N -0.438 119.765 120.200 0.005 0.000 2.110 369 E HA -0.151 4.097 4.350 -0.171 0.000 0.193 369 E C 2.126 178.723 176.600 -0.004 0.000 0.988 369 E CA 0.902 57.298 56.400 -0.007 0.000 0.804 369 E CB -0.062 29.630 29.700 -0.013 0.000 0.745 369 E HN 0.376 nan 8.360 nan 0.000 0.458 370 I N 0.677 121.256 120.570 0.015 0.000 2.133 370 I HA -0.269 3.798 4.170 -0.171 0.000 0.238 370 I C 2.720 178.840 176.117 0.004 0.000 1.074 370 I CA 1.292 62.599 61.300 0.010 0.000 1.342 370 I CB -0.392 37.628 38.000 0.034 0.000 1.053 370 I HN 0.184 nan 8.210 nan 0.000 0.404 371 S N 0.491 116.197 115.700 0.010 0.000 2.370 371 S HA -0.223 4.145 4.470 -0.171 0.000 0.226 371 S C 2.161 176.764 174.600 0.004 0.000 1.033 371 S CA 1.555 59.759 58.200 0.008 0.000 1.011 371 S CB -0.938 62.267 63.200 0.009 0.000 0.852 371 S HN 0.557 nan 8.310 nan 0.000 0.457 372 S N 1.213 116.912 115.700 -0.002 0.000 2.406 372 S HA -0.072 4.295 4.470 -0.171 0.000 0.228 372 S C 1.838 176.428 174.600 -0.017 0.000 1.020 372 S CA 1.300 59.495 58.200 -0.010 0.000 0.965 372 S CB -1.334 61.856 63.200 -0.016 0.000 0.798 372 S HN 0.617 nan 8.310 nan 0.000 0.488 373 T N 2.407 116.950 114.554 -0.020 0.000 2.896 373 T HA 0.257 4.505 4.350 -0.171 0.000 0.263 373 T C 1.744 176.441 174.700 -0.005 0.000 1.050 373 T CA 1.009 63.092 62.100 -0.028 0.000 1.140 373 T CB -0.347 68.499 68.868 -0.036 0.000 0.877 373 T HN 0.351 nan 8.240 nan 0.000 0.457 374 I N 0.812 121.388 120.570 0.009 0.000 2.142 374 I HA -0.166 3.902 4.170 -0.171 0.000 0.240 374 I C 2.860 179.008 176.117 0.051 0.000 1.078 374 I CA 1.282 62.604 61.300 0.037 0.000 1.343 374 I CB -0.279 37.741 38.000 0.034 0.000 1.046 374 I HN 0.079 nan 8.210 nan 0.000 0.405 375 R N 0.150 120.670 120.500 0.034 0.000 2.117 375 R HA -0.203 4.034 4.340 -0.171 0.000 0.243 375 R C 2.521 178.843 176.300 0.035 0.000 1.143 375 R CA 1.832 57.954 56.100 0.037 0.000 0.968 375 R CB -0.309 30.003 30.300 0.019 0.000 0.863 375 R HN 0.226 nan 8.270 nan 0.000 0.444 376 S N -0.286 115.421 115.700 0.011 0.000 2.436 376 S HA 0.028 4.396 4.470 -0.171 0.000 0.228 376 S C 1.773 176.376 174.600 0.005 0.000 1.014 376 S CA 0.524 58.718 58.200 -0.010 0.000 0.950 376 S CB -0.011 63.158 63.200 -0.051 0.000 0.784 376 S HN 0.261 nan 8.310 nan 0.000 0.504 377 I N 1.092 121.680 120.570 0.030 0.000 2.315 377 I HA -0.107 3.960 4.170 -0.171 0.000 0.248 377 I C 2.336 178.478 176.117 0.042 0.000 1.117 377 I CA 1.020 62.339 61.300 0.032 0.000 1.404 377 I CB -0.196 37.842 38.000 0.064 0.000 1.071 377 I HN 0.256 nan 8.210 nan 0.000 0.419 378 E N 0.680 120.976 120.200 0.159 0.000 2.169 378 E HA -0.324 3.924 4.350 -0.171 0.000 0.202 378 E C 2.036 178.761 176.600 0.209 0.000 1.016 378 E CA 1.371 57.961 56.400 0.317 0.000 0.817 378 E CB -0.184 29.664 29.700 0.246 0.000 0.736 378 E HN 0.448 nan 8.360 nan 0.000 0.462 379 Q N -0.420 119.438 119.800 0.097 0.000 2.197 379 Q HA -0.234 4.004 4.340 -0.171 0.000 0.211 379 Q C 2.203 178.247 176.000 0.073 0.000 0.993 379 Q CA 1.554 57.400 55.803 0.072 0.000 0.883 379 Q CB -0.370 28.382 28.738 0.024 0.000 0.916 379 Q HN 0.246 nan 8.270 nan 0.000 0.418 380 V N -0.056 119.845 119.914 -0.023 0.000 2.594 380 V HA -0.197 3.820 4.120 -0.171 0.000 0.253 380 V C 1.067 177.255 176.094 0.156 0.000 1.069 380 V CA 1.346 63.625 62.300 -0.035 0.000 1.082 380 V CB -0.321 31.378 31.823 -0.207 0.000 0.680 380 V HN 0.285 nan 8.190 nan 0.000 0.469 381 F N 0.838 121.007 119.950 0.365 0.000 2.769 381 F HA 0.258 4.681 4.527 -0.172 0.000 0.304 381 F C 1.111 177.062 175.800 0.252 0.000 1.158 381 F CA 0.088 58.284 58.000 0.327 0.000 1.398 381 F CB -0.382 38.694 39.000 0.127 0.000 1.094 381 F HN 0.100 nan 8.300 nan 0.000 0.553 382 K N 0.663 121.288 120.400 0.375 0.000 2.208 382 K HA 0.571 4.789 4.320 -0.171 0.000 0.247 382 K C -0.446 176.317 176.600 0.272 0.000 0.953 382 K CA -0.789 55.651 56.287 0.255 0.000 0.837 382 K CB 2.511 35.107 32.500 0.160 0.000 1.131 382 K HN -0.017 nan 8.250 nan 0.000 0.431 383 L N 1.773 123.113 121.223 0.194 0.000 2.360 383 L HA 0.480 4.717 4.340 -0.171 0.000 0.271 383 L C 0.006 176.887 176.870 0.017 0.000 1.057 383 L CA -1.089 53.853 54.840 0.169 0.000 0.803 383 L CB 1.607 43.759 42.059 0.156 0.000 1.207 383 L HN 0.418 nan 8.230 nan 0.000 0.445 384 V N -1.703 118.122 119.914 -0.149 0.000 2.769 384 V HA 0.451 4.468 4.120 -0.171 0.000 0.312 384 V C -0.281 175.519 176.094 -0.490 0.000 1.061 384 V CA -0.686 61.435 62.300 -0.299 0.000 0.931 384 V CB 2.022 33.625 31.823 -0.367 0.000 1.010 384 V HN 0.807 nan 8.190 nan 0.000 0.433 385 D N 2.015 122.279 120.400 -0.227 0.000 2.395 385 D HA 0.188 4.725 4.640 -0.171 0.000 0.213 385 D C 0.328 176.679 176.300 0.086 0.000 1.110 385 D CA 0.238 54.217 54.000 -0.036 0.000 0.835 385 D CB 1.110 41.940 40.800 0.051 0.000 0.965 385 D HN 0.746 nan 8.370 nan 0.000 0.505 386 Q N -0.158 119.614 119.800 -0.046 0.000 2.594 386 Q HA 0.405 4.642 4.340 -0.171 0.000 0.278 386 Q C -0.309 175.710 176.000 0.031 0.000 0.961 386 Q CA -0.121 55.744 55.803 0.103 0.000 0.844 386 Q CB 1.936 30.716 28.738 0.071 0.000 1.475 386 Q HN 0.120 nan 8.270 nan 0.000 0.389 387 G N 1.889 110.750 108.800 0.103 0.000 2.593 387 G HA2 -0.251 3.607 3.960 -0.171 0.000 0.237 387 G HA3 -0.251 3.607 3.960 -0.171 0.000 0.237 387 G C -0.957 173.947 174.900 0.007 0.000 1.312 387 G CA 0.080 45.200 45.100 0.034 0.000 0.896 387 G HN 0.648 nan 8.290 nan 0.000 0.574 388 E N 0.616 120.768 120.200 -0.081 0.000 2.301 388 E HA 0.538 4.785 4.350 -0.171 0.000 0.275 388 E C 0.643 177.076 176.600 -0.279 0.000 1.030 388 E CA 0.378 56.660 56.400 -0.197 0.000 0.852 388 E CB 1.272 30.861 29.700 -0.185 0.000 1.060 388 E HN 1.905 nan 8.360 nan 0.000 0.401 389 G N 1.233 109.715 108.800 -0.530 0.000 2.331 389 G HA2 -0.074 3.783 3.960 -0.171 0.000 0.402 389 G HA3 -0.074 3.783 3.960 -0.171 0.000 0.402 389 G C -1.442 173.197 174.900 -0.434 0.000 1.275 389 G CA -1.178 43.638 45.100 -0.475 0.000 1.003 389 G HN 0.283 nan 8.290 nan 0.000 0.500 390 F N 0.441 120.398 119.950 0.012 0.000 2.396 390 F HA 0.697 5.121 4.527 -0.172 0.000 0.343 390 F C 0.473 176.333 175.800 0.099 0.000 1.104 390 F CA -0.106 57.998 58.000 0.173 0.000 1.161 390 F CB 0.982 40.091 39.000 0.183 0.000 1.146 390 F HN 0.406 nan 8.300 nan 0.000 0.522 391 Y N 1.151 121.647 120.300 0.328 0.000 2.488 391 Y HA 0.159 4.606 4.550 -0.171 0.000 0.325 391 Y C 1.370 177.461 175.900 0.318 0.000 1.204 391 Y CA -0.783 57.465 58.100 0.247 0.000 1.229 391 Y CB 0.860 39.420 38.460 0.166 0.000 1.274 391 Y HN 0.558 nan 8.280 nan 0.000 0.493 392 Q N 1.143 121.176 119.800 0.387 0.000 2.364 392 Q HA -0.147 4.090 4.340 -0.171 0.000 0.207 392 Q C 0.298 176.519 176.000 0.368 0.000 0.970 392 Q CA 1.837 57.852 55.803 0.353 0.000 0.888 392 Q CB -0.142 28.718 28.738 0.203 0.000 0.951 392 Q HN 0.917 nan 8.270 nan 0.000 0.469 393 D N -1.113 119.488 120.400 0.336 0.000 2.328 393 D HA 0.103 4.640 4.640 -0.171 0.000 0.221 393 D C 1.132 177.620 176.300 0.313 0.000 1.072 393 D CA 0.788 54.934 54.000 0.242 0.000 0.850 393 D CB 0.098 40.993 40.800 0.158 0.000 0.922 393 D HN 0.403 nan 8.370 nan 0.000 0.516 394 G N -0.169 108.869 108.800 0.396 0.000 2.241 394 G HA2 -0.274 3.583 3.960 -0.171 0.000 0.244 394 G HA3 -0.274 3.583 3.960 -0.171 0.000 0.244 394 G C 0.438 175.565 174.900 0.379 0.000 0.998 394 G CA 0.216 45.570 45.100 0.424 0.000 0.621 394 G HN 0.433 nan 8.290 nan 0.000 0.519 395 S N -0.129 115.792 115.700 0.368 0.000 2.568 395 S HA 0.492 4.859 4.470 -0.171 0.000 0.282 395 S C -0.436 174.286 174.600 0.204 0.000 1.338 395 S CA 0.336 58.589 58.200 0.089 0.000 1.045 395 S CB 1.230 64.398 63.200 -0.052 0.000 0.873 395 S HN 0.855 nan 8.310 nan 0.000 0.516 396 Y N 1.735 121.961 120.300 -0.123 0.000 2.346 396 Y HA 0.649 5.096 4.550 -0.171 0.000 0.332 396 Y C -1.195 174.615 175.900 -0.151 0.000 0.985 396 Y CA -0.768 57.212 58.100 -0.199 0.000 1.112 396 Y CB 0.647 38.790 38.460 -0.527 0.000 1.170 396 Y HN 0.559 nan 8.280 nan 0.000 0.447 397 I N 5.800 125.982 120.570 -0.646 0.000 2.603 397 I HA 0.415 4.483 4.170 -0.171 0.000 0.300 397 I C -0.838 174.900 176.117 -0.631 0.000 1.017 397 I CA -0.284 60.761 61.300 -0.425 0.000 1.098 397 I CB 1.693 39.610 38.000 -0.139 0.000 1.279 397 I HN 0.681 nan 8.210 nan 0.000 0.437 398 D N 2.775 123.005 120.400 -0.283 0.000 2.596 398 D HA 0.323 4.861 4.640 -0.171 0.000 0.262 398 D C -0.679 175.583 176.300 -0.063 0.000 1.210 398 D CA -0.302 53.532 54.000 -0.277 0.000 0.873 398 D CB 1.393 41.937 40.800 -0.426 0.000 1.408 398 D HN 0.674 nan 8.370 nan 0.000 0.441 399 H N 0.648 119.552 119.070 -0.276 0.000 2.692 399 H HA -0.223 4.230 4.556 -0.172 0.000 0.316 399 H C 0.480 175.733 175.328 -0.125 0.000 1.176 399 H CA 0.578 56.502 56.048 -0.207 0.000 1.142 399 H CB -0.992 28.701 29.762 -0.115 0.000 1.475 399 H HN 0.564 nan 8.280 nan 0.000 0.423 400 T N -1.059 113.480 114.554 -0.025 0.000 13.097 400 T HA -0.334 3.913 4.350 -0.171 0.000 0.418 400 T C 0.905 175.600 174.700 -0.009 0.000 1.446 400 T CA 2.063 64.147 62.100 -0.028 0.000 2.371 400 T CB -0.947 67.899 68.868 -0.036 0.000 2.810 400 T HN 0.742 nan 8.240 nan 0.000 0.655 401 N N 0.806 119.510 118.700 0.007 0.000 2.547 401 N HA 0.413 5.051 4.740 -0.171 0.000 0.285 401 N C -1.023 174.487 175.510 -0.001 0.000 1.600 401 N CA -0.198 52.856 53.050 0.005 0.000 0.872 401 N CB 0.132 38.632 38.487 0.022 0.000 1.412 401 N HN 0.497 nan 8.380 nan 0.000 0.489 402 V N 0.573 120.488 119.914 0.002 0.000 2.459 402 V HA 0.763 4.780 4.120 -0.171 0.000 0.295 402 V C 0.571 176.612 176.094 -0.089 0.000 1.029 402 V CA -1.299 60.972 62.300 -0.048 0.000 0.874 402 V CB 1.246 33.057 31.823 -0.020 0.000 0.985 402 V HN 0.433 nan 8.190 nan 0.000 0.438 403 A N 3.967 126.693 122.820 -0.157 0.000 2.515 403 A HA 0.393 4.611 4.320 -0.171 0.000 0.263 403 A C -0.353 177.125 177.584 -0.176 0.000 1.096 403 A CA 0.500 52.450 52.037 -0.146 0.000 0.769 403 A CB -0.490 18.421 19.000 -0.149 0.000 1.040 403 A HN 0.829 nan 8.150 nan 0.000 0.505 404 Y N 1.866 122.166 120.300 -0.001 0.000 2.777 404 Y HA 0.111 4.559 4.550 -0.171 0.000 0.248 404 Y C 1.804 177.766 175.900 0.104 0.000 1.127 404 Y CA 0.064 58.213 58.100 0.082 0.000 1.149 404 Y CB -0.049 38.494 38.460 0.138 0.000 1.230 404 Y HN 0.744 nan 8.280 nan 0.000 0.586 405 T N -1.963 112.658 114.554 0.113 0.000 2.684 405 T HA -0.186 4.062 4.350 -0.171 0.000 0.267 405 T C 2.131 176.766 174.700 -0.109 0.000 1.036 405 T CA 1.719 63.697 62.100 -0.204 0.000 1.148 405 T CB -0.389 68.256 68.868 -0.372 0.000 0.863 405 T HN 0.554 nan 8.240 nan 0.000 0.436 406 G N -0.108 108.674 108.800 -0.029 0.000 2.956 406 G HA2 0.387 4.244 3.960 -0.171 0.000 0.207 406 G HA3 0.387 4.244 3.960 -0.171 0.000 0.207 406 G C 0.915 175.824 174.900 0.016 0.000 1.162 406 G CA 0.654 45.758 45.100 0.007 0.000 0.796 406 G HN 0.647 nan 8.290 nan 0.000 0.527 407 A N -0.574 122.267 122.820 0.035 0.000 1.808 407 A HA 0.418 4.635 4.320 -0.171 0.000 0.190 407 A C 1.565 178.963 177.584 -0.311 0.000 1.822 407 A CA 0.062 52.027 52.037 -0.120 0.000 1.090 407 A CB -0.320 18.662 19.000 -0.029 0.000 1.004 407 A HN 0.095 nan 8.150 nan 0.000 0.602 408 Y N 1.388 121.540 120.300 -0.247 0.000 2.373 408 Y HA 0.069 4.516 4.550 -0.171 0.000 0.293 408 Y C 2.604 178.318 175.900 -0.311 0.000 1.129 408 Y CA 1.091 59.035 58.100 -0.260 0.000 1.226 408 Y CB -0.274 38.019 38.460 -0.277 0.000 1.000 408 Y HN 0.410 nan 8.280 nan 0.000 0.549 409 G N 0.042 108.628 108.800 -0.357 0.000 2.402 409 G HA2 -0.264 3.594 3.960 -0.171 0.000 0.216 409 G HA3 -0.264 3.594 3.960 -0.171 0.000 0.216 409 G C 1.509 176.424 174.900 0.024 0.000 1.162 409 G CA 1.059 45.877 45.100 -0.471 0.000 0.777 409 G HN 0.295 nan 8.290 nan 0.000 0.539 410 N N 0.633 119.343 118.700 0.017 0.000 2.043 410 N HA -0.129 4.508 4.740 -0.171 0.000 0.193 410 N C 2.303 177.766 175.510 -0.077 0.000 1.037 410 N CA 1.344 54.368 53.050 -0.043 0.000 0.851 410 N CB -0.858 37.583 38.487 -0.076 0.000 1.027 410 N HN 0.171 nan 8.380 nan 0.000 0.422 411 V N 1.392 121.252 119.914 -0.090 0.000 2.324 411 V HA -0.207 3.810 4.120 -0.171 0.000 0.250 411 V C 2.355 178.448 176.094 -0.001 0.000 1.060 411 V CA 1.232 63.505 62.300 -0.045 0.000 1.042 411 V CB -0.621 31.180 31.823 -0.037 0.000 0.650 411 V HN 0.264 nan 8.190 nan 0.000 0.450 412 L N -0.704 120.511 121.223 -0.012 0.000 1.955 412 L HA -0.211 4.026 4.340 -0.171 0.000 0.213 412 L C 2.329 179.221 176.870 0.036 0.000 1.072 412 L CA 2.101 56.944 54.840 0.004 0.000 0.755 412 L CB -0.247 41.768 42.059 -0.073 0.000 0.888 412 L HN 0.251 nan 8.230 nan 0.000 0.432 413 I N -0.618 119.959 120.570 0.012 0.000 2.179 413 I HA -0.323 3.744 4.170 -0.171 0.000 0.242 413 I C 2.156 178.261 176.117 -0.020 0.000 1.088 413 I CA 1.774 63.073 61.300 -0.002 0.000 1.357 413 I CB -0.180 37.670 38.000 -0.251 0.000 1.051 413 I HN 0.437 nan 8.210 nan 0.000 0.409 414 D N 0.495 120.861 120.400 -0.056 0.000 2.104 414 D HA -0.170 4.368 4.640 -0.171 0.000 0.194 414 D C 2.034 178.344 176.300 0.018 0.000 0.994 414 D CA 1.779 55.757 54.000 -0.038 0.000 0.830 414 D CB -0.380 40.389 40.800 -0.052 0.000 0.959 414 D HN 0.443 nan 8.370 nan 0.000 0.452 415 G N 0.143 108.972 108.800 0.047 0.000 2.394 415 G HA2 -0.172 3.685 3.960 -0.171 0.000 0.215 415 G HA3 -0.172 3.685 3.960 -0.171 0.000 0.215 415 G C 1.607 176.586 174.900 0.132 0.000 1.165 415 G CA 0.659 45.818 45.100 0.100 0.000 0.784 415 G HN 0.338 nan 8.290 nan 0.000 0.535 416 L N 2.062 123.359 121.223 0.122 0.000 2.046 416 L HA -0.057 4.180 4.340 -0.171 0.000 0.208 416 L C 3.101 180.066 176.870 0.158 0.000 1.077 416 L CA 2.457 57.391 54.840 0.156 0.000 0.747 416 L CB -0.594 41.582 42.059 0.194 0.000 0.896 416 L HN 0.341 nan 8.230 nan 0.000 0.432 417 S N -1.898 113.872 115.700 0.116 0.000 2.442 417 S HA -0.210 4.157 4.470 -0.171 0.000 0.236 417 S C 1.837 176.493 174.600 0.093 0.000 1.007 417 S CA 1.031 59.282 58.200 0.085 0.000 0.965 417 S CB -0.513 62.709 63.200 0.036 0.000 0.773 417 S HN 0.649 nan 8.310 nan 0.000 0.504 418 Q N -0.253 119.618 119.800 0.118 0.000 2.096 418 Q HA 0.123 4.360 4.340 -0.171 0.000 0.197 418 Q C 1.978 178.183 176.000 0.341 0.000 0.964 418 Q CA 0.714 56.605 55.803 0.146 0.000 0.838 418 Q CB -0.165 28.650 28.738 0.128 0.000 0.906 418 Q HN 0.404 nan 8.270 nan 0.000 0.444 419 L N 0.699 122.125 121.223 0.338 0.000 2.095 419 L HA -0.063 4.174 4.340 -0.171 0.000 0.204 419 L C 2.147 179.140 176.870 0.205 0.000 1.080 419 L CA 1.226 56.247 54.840 0.303 0.000 0.759 419 L CB -1.069 41.095 42.059 0.175 0.000 0.914 419 L HN 0.263 nan 8.230 nan 0.000 0.439 420 L N 0.098 121.426 121.223 0.176 0.000 2.010 420 L HA -0.266 3.971 4.340 -0.171 0.000 0.219 420 L C -0.065 176.875 176.870 0.116 0.000 1.077 420 L CA 1.835 56.759 54.840 0.141 0.000 0.773 420 L CB -2.074 40.063 42.059 0.130 0.000 0.892 420 L HN 0.225 nan 8.230 nan 0.000 0.436 421 P HA -0.155 nan 4.420 nan 0.000 0.216 421 P C 1.889 179.257 177.300 0.113 0.000 1.153 421 P CA 1.314 64.478 63.100 0.107 0.000 0.858 421 P CB 0.022 31.788 31.700 0.110 0.000 0.789 422 V N -0.579 119.427 119.914 0.153 0.000 2.283 422 V HA -0.200 3.817 4.120 -0.171 0.000 0.243 422 V C 2.420 178.552 176.094 0.064 0.000 1.039 422 V CA 1.433 63.808 62.300 0.125 0.000 1.016 422 V CB -1.139 30.779 31.823 0.158 0.000 0.650 422 V HN 0.011 nan 8.190 nan 0.000 0.449 423 I N 0.122 120.729 120.570 0.062 0.000 2.145 423 I HA -0.332 3.736 4.170 -0.171 0.000 0.244 423 I C 2.655 178.792 176.117 0.033 0.000 1.075 423 I CA 1.528 62.853 61.300 0.041 0.000 1.332 423 I CB -0.346 37.695 38.000 0.068 0.000 1.033 423 I HN 0.361 nan 8.210 nan 0.000 0.410 424 Q N 0.294 120.119 119.800 0.042 0.000 2.439 424 Q HA -0.159 4.078 4.340 -0.171 0.000 0.211 424 Q C 1.596 177.605 176.000 0.016 0.000 0.978 424 Q CA 1.185 57.004 55.803 0.026 0.000 0.897 424 Q CB -0.227 28.529 28.738 0.029 0.000 0.956 424 Q HN 0.480 nan 8.270 nan 0.000 0.483 425 K N 0.609 121.019 120.400 0.017 0.000 2.397 425 K HA 0.054 4.272 4.320 -0.171 0.000 0.202 425 K C 0.365 176.953 176.600 -0.020 0.000 1.022 425 K CA -0.014 56.276 56.287 0.005 0.000 1.141 425 K CB 0.601 33.111 32.500 0.018 0.000 0.857 425 K HN 0.205 nan 8.250 nan 0.000 0.514 426 T N -2.657 111.882 114.554 -0.023 0.000 2.884 426 T HA 0.249 4.497 4.350 -0.171 0.000 0.277 426 T C 0.827 175.502 174.700 -0.041 0.000 0.976 426 T CA -0.772 61.298 62.100 -0.050 0.000 0.956 426 T CB 1.274 70.116 68.868 -0.044 0.000 1.113 426 T HN -0.134 nan 8.240 nan 0.000 0.554 427 K N 0.568 120.937 120.400 -0.051 0.000 2.555 427 K HA 0.121 4.338 4.320 -0.171 0.000 0.193 427 K C 0.129 176.718 176.600 -0.019 0.000 1.032 427 K CA 0.280 56.546 56.287 -0.035 0.000 1.004 427 K CB -0.050 32.427 32.500 -0.039 0.000 0.804 427 K HN 0.398 nan 8.250 nan 0.000 0.496 428 N N 1.123 119.814 118.700 -0.015 0.000 2.642 428 N HA 0.149 4.786 4.740 -0.171 0.000 0.308 428 N C -2.771 172.741 175.510 0.004 0.000 1.914 428 N CA -1.134 51.914 53.050 -0.003 0.000 0.893 428 N CB 0.686 39.174 38.487 0.003 0.000 1.322 428 N HN 0.036 nan 8.380 nan 0.000 0.490 429 P HA 0.123 nan 4.420 nan 0.000 0.273 429 P C 0.056 177.355 177.300 -0.001 0.000 1.258 429 P CA -0.040 63.061 63.100 0.001 0.000 0.802 429 P CB 1.389 33.085 31.700 -0.007 0.000 1.040 430 I N 0.181 120.743 120.570 -0.014 0.000 2.406 430 I HA 0.161 4.228 4.170 -0.171 0.000 0.290 430 I C -0.028 176.031 176.117 -0.096 0.000 0.999 430 I CA -0.922 60.351 61.300 -0.045 0.000 1.124 430 I CB 1.182 39.157 38.000 -0.042 0.000 1.289 430 I HN 0.132 nan 8.210 nan 0.000 0.441 431 D N 6.300 126.641 120.400 -0.097 0.000 2.658 431 D HA -0.085 4.452 4.640 -0.171 0.000 0.230 431 D C 1.042 177.257 176.300 -0.142 0.000 1.118 431 D CA 0.586 54.525 54.000 -0.101 0.000 0.848 431 D CB 0.721 41.470 40.800 -0.086 0.000 1.160 431 D HN 0.450 nan 8.370 nan 0.000 0.497 432 K N 1.488 121.830 120.400 -0.096 0.000 2.362 432 K HA -0.204 4.013 4.320 -0.171 0.000 0.202 432 K C 1.021 177.565 176.600 -0.093 0.000 1.045 432 K CA 1.554 57.791 56.287 -0.084 0.000 0.936 432 K CB 0.093 32.567 32.500 -0.043 0.000 0.747 432 K HN 0.541 nan 8.250 nan 0.000 0.467 433 D N -0.405 119.933 120.400 -0.103 0.000 2.183 433 D HA -0.096 4.441 4.640 -0.171 0.000 0.205 433 D C 1.452 177.660 176.300 -0.154 0.000 0.962 433 D CA 0.516 54.459 54.000 -0.095 0.000 0.849 433 D CB -0.006 40.753 40.800 -0.069 0.000 0.978 433 D HN -0.048 nan 8.370 nan 0.000 0.488 434 K N -0.604 119.656 120.400 -0.233 0.000 2.209 434 K HA -0.016 4.202 4.320 -0.171 0.000 0.204 434 K C 1.420 177.651 176.600 -0.615 0.000 1.048 434 K CA 0.850 56.918 56.287 -0.365 0.000 0.940 434 K CB -0.024 32.207 32.500 -0.448 0.000 0.729 434 K HN 0.104 nan 8.250 nan 0.000 0.451 435 M N 0.028 119.296 119.600 -0.554 0.000 2.618 435 M HA -0.024 4.353 4.480 -0.171 0.000 0.240 435 M C 1.500 177.601 176.300 -0.331 0.000 1.123 435 M CA 0.711 55.690 55.300 -0.535 0.000 1.060 435 M CB 0.422 32.797 32.600 -0.375 0.000 1.535 435 M HN -0.080 nan 8.290 nan 0.000 0.507 436 Q N -0.407 119.302 119.800 -0.153 0.000 2.167 436 Q HA -0.098 4.139 4.340 -0.171 0.000 0.202 436 Q C 2.176 178.149 176.000 -0.046 0.000 0.970 436 Q CA 1.961 57.796 55.803 0.052 0.000 0.855 436 Q CB -0.427 28.311 28.738 -0.000 0.000 0.911 436 Q HN 0.613 nan 8.270 nan 0.000 0.438 437 T N -2.671 111.740 114.554 -0.238 0.000 2.995 437 T HA -0.098 4.150 4.350 -0.171 0.000 0.269 437 T C 1.775 175.964 174.700 -0.852 0.000 1.091 437 T CA 0.970 62.853 62.100 -0.361 0.000 1.128 437 T CB -0.152 68.570 68.868 -0.244 0.000 0.891 437 T HN 0.248 nan 8.240 nan 0.000 0.492 438 M N -0.128 118.897 119.600 -0.959 0.000 2.159 438 M HA -0.024 4.354 4.480 -0.171 0.000 0.263 438 M C 1.566 177.475 176.300 -0.650 0.000 1.063 438 M CA 1.704 56.304 55.300 -1.167 0.000 1.110 438 M CB -0.242 31.868 32.600 -0.817 0.000 1.374 438 M HN 0.346 nan 8.290 nan 0.000 0.411 439 Y N -1.849 118.305 120.300 -0.243 0.000 2.352 439 Y HA -0.218 4.230 4.550 -0.171 0.000 0.292 439 Y C 2.497 178.368 175.900 -0.047 0.000 1.136 439 Y CA 1.463 59.505 58.100 -0.098 0.000 1.227 439 Y CB -1.029 37.387 38.460 -0.073 0.000 0.991 439 Y HN 0.409 nan 8.280 nan 0.000 0.545 440 H N -0.741 118.283 119.070 -0.076 0.000 2.326 440 H HA -0.183 4.270 4.556 -0.171 0.000 0.301 440 H C 1.486 176.844 175.328 0.050 0.000 1.081 440 H CA 1.844 57.875 56.048 -0.029 0.000 1.334 440 H CB -0.200 29.518 29.762 -0.073 0.000 1.385 440 H HN 0.296 nan 8.280 nan 0.000 0.504 441 W N 1.245 122.477 121.300 -0.114 0.000 2.335 441 W HA -0.159 4.398 4.660 -0.172 0.000 0.311 441 W C 2.645 179.176 176.519 0.019 0.000 1.213 441 W CA 0.382 57.549 57.345 -0.296 0.000 1.274 441 W CB -1.216 27.957 29.460 -0.479 0.000 1.148 441 W HN 0.229 nan 8.180 nan 0.000 0.498 442 I N 0.322 121.111 120.570 0.365 0.000 2.127 442 I HA -0.316 3.751 4.170 -0.171 0.000 0.241 442 I C 2.104 178.327 176.117 0.178 0.000 1.075 442 I CA 1.814 63.307 61.300 0.322 0.000 1.334 442 I CB -0.624 37.469 38.000 0.155 0.000 1.040 442 I HN -0.141 nan 8.210 nan 0.000 0.405 443 D N 0.354 120.797 120.400 0.072 0.000 2.149 443 D HA -0.147 4.390 4.640 -0.171 0.000 0.201 443 D C 2.116 178.376 176.300 -0.066 0.000 0.972 443 D CA 1.232 55.229 54.000 -0.005 0.000 0.835 443 D CB -0.015 40.780 40.800 -0.008 0.000 0.966 443 D HN 0.195 nan 8.370 nan 0.000 0.476 444 K N -0.177 120.142 120.400 -0.136 0.000 2.242 444 K HA 0.147 4.364 4.320 -0.171 0.000 0.200 444 K C 1.951 178.580 176.600 0.050 0.000 1.050 444 K CA 0.437 56.645 56.287 -0.132 0.000 0.981 444 K CB 0.472 32.731 32.500 -0.401 0.000 0.795 444 K HN -0.147 nan 8.250 nan 0.000 0.477 445 S N -0.630 115.063 115.700 -0.011 0.000 2.444 445 S HA 0.145 4.512 4.470 -0.171 0.000 0.223 445 S C 1.403 175.850 174.600 -0.256 0.000 1.054 445 S CA 0.318 58.447 58.200 -0.119 0.000 0.947 445 S CB -0.165 62.859 63.200 -0.293 0.000 0.850 445 S HN 0.117 nan 8.310 nan 0.000 0.527 446 F N 2.270 122.235 119.950 0.026 0.000 2.123 446 F HA 0.246 4.670 4.527 -0.171 0.000 0.289 446 F C 2.706 178.479 175.800 -0.044 0.000 1.099 446 F CA 0.617 58.607 58.000 -0.017 0.000 1.234 446 F CB -1.134 37.858 39.000 -0.013 0.000 1.034 446 F HN 0.149 nan 8.300 nan 0.000 0.479 447 A N 0.855 123.758 122.820 0.138 0.000 1.915 447 A HA -0.222 3.995 4.320 -0.171 0.000 0.220 447 A C -0.229 177.278 177.584 -0.130 0.000 1.198 447 A CA 2.290 54.316 52.037 -0.018 0.000 0.647 447 A CB -2.217 16.740 19.000 -0.073 0.000 0.825 447 A HN 0.271 nan 8.150 nan 0.000 0.456 448 P HA -0.053 nan 4.420 nan 0.000 0.222 448 P C 0.976 178.329 177.300 0.088 0.000 1.147 448 P CA 0.744 63.712 63.100 -0.221 0.000 0.790 448 P CB -0.094 31.562 31.700 -0.073 0.000 0.780 449 L N -1.964 119.291 121.223 0.053 0.000 2.591 449 L HA 0.103 4.340 4.340 -0.171 0.000 0.228 449 L C 0.655 177.472 176.870 -0.089 0.000 1.133 449 L CA 0.026 54.863 54.840 -0.005 0.000 0.880 449 L CB -0.296 41.728 42.059 -0.058 0.000 1.033 449 L HN -0.063 nan 8.230 nan 0.000 0.450 450 L N 0.766 121.946 121.223 -0.071 0.000 2.262 450 L HA 0.373 4.610 4.340 -0.171 0.000 0.288 450 L C -0.750 176.017 176.870 -0.171 0.000 1.035 450 L CA -0.351 54.414 54.840 -0.125 0.000 0.820 450 L CB 1.686 43.699 42.059 -0.077 0.000 1.204 450 L HN -0.239 nan 8.230 nan 0.000 0.424 451 V N 3.729 123.476 119.914 -0.278 0.000 2.380 451 V HA 0.311 4.328 4.120 -0.171 0.000 0.286 451 V C 0.020 175.996 176.094 -0.196 0.000 1.015 451 V CA -0.688 61.426 62.300 -0.309 0.000 0.834 451 V CB 1.212 32.782 31.823 -0.422 0.000 1.009 451 V HN 0.871 nan 8.190 nan 0.000 0.428 452 N N 4.085 122.717 118.700 -0.113 0.000 2.735 452 N HA -0.203 4.434 4.740 -0.171 0.000 0.248 452 N C 1.178 176.746 175.510 0.095 0.000 1.083 452 N CA 1.544 54.615 53.050 0.035 0.000 0.703 452 N CB -1.010 37.555 38.487 0.131 0.000 1.005 452 N HN 1.519 nan 8.380 nan 0.000 0.550 453 G N -0.562 108.238 108.800 0.000 0.000 2.179 453 G HA2 -0.341 3.516 3.960 -0.171 0.000 0.260 453 G HA3 -0.341 3.516 3.960 -0.171 0.000 0.260 453 G C -0.180 174.596 174.900 -0.206 0.000 0.977 453 G CA 0.755 45.876 45.100 0.035 0.000 0.641 453 G HN 0.698 nan 8.290 nan 0.000 0.533 454 E N -0.203 119.737 120.200 -0.432 0.000 2.179 454 E HA 0.625 4.873 4.350 -0.171 0.000 0.275 454 E C -0.451 175.944 176.600 -0.342 0.000 0.945 454 E CA -1.114 54.926 56.400 -0.601 0.000 0.792 454 E CB 0.925 30.240 29.700 -0.642 0.000 1.125 454 E HN 0.218 nan 8.360 nan 0.000 0.397 455 L N 5.730 126.807 121.223 -0.243 0.000 2.255 455 L HA 0.307 4.544 4.340 -0.171 0.000 0.289 455 L C -0.351 176.410 176.870 -0.181 0.000 1.046 455 L CA -0.102 54.636 54.840 -0.170 0.000 0.816 455 L CB 0.672 42.671 42.059 -0.100 0.000 1.197 455 L HN 0.750 nan 8.230 nan 0.000 0.427 456 M N 4.217 123.670 119.600 -0.244 0.000 2.323 456 M HA -0.096 4.282 4.480 -0.171 0.000 0.386 456 M C 0.739 176.896 176.300 -0.238 0.000 1.525 456 M CA 0.288 55.428 55.300 -0.266 0.000 0.914 456 M CB -0.004 32.442 32.600 -0.258 0.000 2.042 456 M HN 0.571 nan 8.290 nan 0.000 0.483 457 D N 3.413 123.653 120.400 -0.266 0.000 2.182 457 D HA -0.169 4.368 4.640 -0.171 0.000 0.201 457 D C 1.924 178.107 176.300 -0.195 0.000 0.986 457 D CA 1.463 55.381 54.000 -0.138 0.000 0.847 457 D CB -0.130 40.767 40.800 0.162 0.000 0.942 457 D HN 0.752 nan 8.370 nan 0.000 0.467 458 M N 0.016 119.390 119.600 -0.377 0.000 2.530 458 M HA -0.079 4.298 4.480 -0.171 0.000 0.261 458 M C 1.417 177.616 176.300 -0.167 0.000 1.067 458 M CA 1.563 56.748 55.300 -0.191 0.000 1.071 458 M CB -0.116 32.373 32.600 -0.185 0.000 1.405 458 M HN -0.054 nan 8.290 nan 0.000 0.478 459 S N -0.374 115.215 115.700 -0.185 0.000 2.578 459 S HA 0.285 4.652 4.470 -0.171 0.000 0.231 459 S C 1.210 175.742 174.600 -0.114 0.000 0.994 459 S CA -0.847 57.251 58.200 -0.170 0.000 0.956 459 S CB 0.131 63.219 63.200 -0.186 0.000 0.870 459 S HN 0.675 nan 8.310 nan 0.000 0.494 460 R N 1.047 121.476 120.500 -0.119 0.000 2.432 460 R HA 0.358 4.595 4.340 -0.171 0.000 0.260 460 R C 1.648 177.924 176.300 -0.040 0.000 0.935 460 R CA 0.244 56.323 56.100 -0.034 0.000 1.080 460 R CB 0.023 30.293 30.300 -0.051 0.000 1.155 460 R HN 0.470 nan 8.270 nan 0.000 0.531 461 G N 3.208 111.826 108.800 -0.303 0.000 2.651 461 G HA2 -0.459 3.398 3.960 -0.171 0.000 0.315 461 G HA3 -0.459 3.398 3.960 -0.171 0.000 0.315 461 G C 0.780 175.588 174.900 -0.154 0.000 1.258 461 G CA 0.888 45.736 45.100 -0.420 0.000 1.002 461 G HN 0.506 nan 8.290 nan 0.000 0.551 462 R N 0.232 120.744 120.500 0.019 0.000 2.276 462 R HA 0.245 4.483 4.340 -0.171 0.000 0.203 462 R C 2.267 178.538 176.300 -0.048 0.000 1.017 462 R CA 1.779 57.877 56.100 -0.004 0.000 1.010 462 R CB -0.346 30.008 30.300 0.089 0.000 0.900 462 R HN 0.311 nan 8.270 nan 0.000 0.469 463 S N 1.775 117.457 115.700 -0.030 0.000 2.474 463 S HA -0.032 4.335 4.470 -0.171 0.000 0.235 463 S C 1.806 176.350 174.600 -0.094 0.000 0.997 463 S CA 1.089 59.247 58.200 -0.071 0.000 0.949 463 S CB -0.315 62.843 63.200 -0.071 0.000 0.766 463 S HN 0.587 nan 8.310 nan 0.000 0.517 464 I N 0.574 121.030 120.570 -0.190 0.000 2.756 464 I HA -0.033 4.034 4.170 -0.171 0.000 0.262 464 I C 1.652 177.657 176.117 -0.186 0.000 1.225 464 I CA 1.155 62.259 61.300 -0.326 0.000 1.472 464 I CB -0.424 37.044 38.000 -0.888 0.000 1.094 464 I HN 0.199 nan 8.210 nan 0.000 0.454 465 S N 0.280 115.934 115.700 -0.076 0.000 2.597 465 S HA 0.292 4.659 4.470 -0.171 0.000 0.224 465 S C 0.654 175.407 174.600 0.255 0.000 0.955 465 S CA -0.662 57.635 58.200 0.161 0.000 0.933 465 S CB -0.254 62.955 63.200 0.014 0.000 0.788 465 S HN 0.453 nan 8.310 nan 0.000 0.488 466 R N 0.754 121.285 120.500 0.051 0.000 2.255 466 R HA 0.609 4.846 4.340 -0.171 0.000 0.326 466 R C 1.148 177.145 176.300 -0.506 0.000 0.986 466 R CA 0.139 56.140 56.100 -0.164 0.000 0.847 466 R CB 1.069 31.282 30.300 -0.146 0.000 1.111 466 R HN 0.272 nan 8.270 nan 0.000 0.452 467 A N 3.176 125.395 122.820 -1.002 0.000 1.933 467 A HA -0.159 4.058 4.320 -0.171 0.000 0.218 467 A C 1.014 178.221 177.584 -0.627 0.000 1.175 467 A CA 1.254 52.387 52.037 -1.507 0.000 0.628 467 A CB -0.070 17.962 19.000 -1.613 0.000 0.814 467 A HN 0.627 nan 8.150 nan 0.000 0.444 468 N N -0.113 118.358 118.700 -0.382 0.000 2.295 468 N HA 0.065 4.702 4.740 -0.171 0.000 0.221 468 N C 0.221 175.646 175.510 -0.142 0.000 1.129 468 N CA 0.878 53.806 53.050 -0.202 0.000 0.836 468 N CB 0.432 38.828 38.487 -0.152 0.000 1.040 468 N HN 0.478 nan 8.380 nan 0.000 0.494 469 S N -1.375 114.237 115.700 -0.147 0.000 2.701 469 S HA 0.230 4.597 4.470 -0.171 0.000 0.228 469 S C -0.099 174.482 174.600 -0.032 0.000 0.948 469 S CA -0.718 57.425 58.200 -0.096 0.000 1.129 469 S CB 0.360 63.495 63.200 -0.109 0.000 1.352 469 S HN 0.022 nan 8.310 nan 0.000 0.446 470 E N 0.450 120.660 120.200 0.017 0.000 2.410 470 E HA 0.349 4.596 4.350 -0.171 0.000 0.255 470 E C 1.648 178.303 176.600 0.091 0.000 1.194 470 E CA 0.050 56.542 56.400 0.153 0.000 0.955 470 E CB 0.211 30.063 29.700 0.254 0.000 0.988 470 E HN 0.462 nan 8.360 nan 0.000 0.461 471 G N 0.929 109.823 108.800 0.158 0.000 2.624 471 G HA2 -0.338 3.519 3.960 -0.171 0.000 0.221 471 G HA3 -0.338 3.519 3.960 -0.171 0.000 0.221 471 G C 1.141 175.992 174.900 -0.082 0.000 1.169 471 G CA 1.148 46.274 45.100 0.043 0.000 0.771 471 G HN 0.610 nan 8.290 nan 0.000 0.598 472 H N -0.282 118.755 119.070 -0.054 0.000 2.389 472 H HA -0.016 4.438 4.556 -0.171 0.000 0.299 472 H C 2.858 177.898 175.328 -0.479 0.000 1.081 472 H CA 1.301 57.240 56.048 -0.181 0.000 1.345 472 H CB -0.098 29.618 29.762 -0.076 0.000 1.393 472 H HN 0.275 nan 8.280 nan 0.000 0.520 473 V N 1.025 120.651 119.914 -0.479 0.000 2.358 473 V HA -0.186 3.831 4.120 -0.171 0.000 0.246 473 V C 2.825 178.812 176.094 -0.178 0.000 1.047 473 V CA 1.394 63.419 62.300 -0.459 0.000 1.035 473 V CB -0.884 30.767 31.823 -0.288 0.000 0.658 473 V HN 0.425 nan 8.190 nan 0.000 0.452 474 A N 0.244 122.988 122.820 -0.128 0.000 1.898 474 A HA -0.066 4.151 4.320 -0.171 0.000 0.216 474 A C 2.448 179.983 177.584 -0.082 0.000 1.181 474 A CA 1.852 53.835 52.037 -0.090 0.000 0.620 474 A CB -0.799 18.159 19.000 -0.070 0.000 0.819 474 A HN 0.561 nan 8.150 nan 0.000 0.442 475 A N -0.365 122.400 122.820 -0.092 0.000 1.986 475 A HA -0.087 4.131 4.320 -0.171 0.000 0.220 475 A C 2.117 179.668 177.584 -0.054 0.000 1.171 475 A CA 1.933 53.924 52.037 -0.076 0.000 0.640 475 A CB -0.935 18.007 19.000 -0.096 0.000 0.811 475 A HN 0.482 nan 8.150 nan 0.000 0.451 476 V N -0.116 119.777 119.914 -0.035 0.000 2.759 476 V HA -0.233 3.785 4.120 -0.171 0.000 0.256 476 V C 2.212 178.281 176.094 -0.041 0.000 1.080 476 V CA 2.032 64.327 62.300 -0.008 0.000 1.101 476 V CB -0.867 30.996 31.823 0.068 0.000 0.698 476 V HN 0.649 nan 8.190 nan 0.000 0.477 477 E N 0.037 120.201 120.200 -0.059 0.000 2.072 477 E HA -0.147 4.101 4.350 -0.171 0.000 0.191 477 E C 2.252 178.784 176.600 -0.112 0.000 0.985 477 E CA 1.328 57.682 56.400 -0.076 0.000 0.801 477 E CB -0.163 29.487 29.700 -0.083 0.000 0.750 477 E HN 0.461 nan 8.360 nan 0.000 0.452 478 V N 1.339 121.172 119.914 -0.135 0.000 2.307 478 V HA -0.240 3.777 4.120 -0.171 0.000 0.245 478 V C 2.298 178.280 176.094 -0.187 0.000 1.045 478 V CA 1.424 63.583 62.300 -0.236 0.000 1.024 478 V CB -0.456 31.236 31.823 -0.218 0.000 0.651 478 V HN 0.250 nan 8.190 nan 0.000 0.449 479 L N 0.544 121.699 121.223 -0.113 0.000 2.042 479 L HA -0.231 4.007 4.340 -0.171 0.000 0.210 479 L C 2.836 179.680 176.870 -0.044 0.000 1.076 479 L CA 2.253 57.043 54.840 -0.083 0.000 0.749 479 L CB -0.744 41.276 42.059 -0.066 0.000 0.893 479 L HN 0.447 nan 8.230 nan 0.000 0.432 480 R N 0.007 120.486 120.500 -0.035 0.000 2.148 480 R HA -0.042 4.196 4.340 -0.171 0.000 0.227 480 R C 2.173 178.468 176.300 -0.009 0.000 1.103 480 R CA 1.199 57.299 56.100 0.001 0.000 0.983 480 R CB -0.930 29.351 30.300 -0.032 0.000 0.874 480 R HN 0.278 nan 8.270 nan 0.000 0.451 481 G N 1.929 110.693 108.800 -0.059 0.000 2.394 481 G HA2 -0.138 3.719 3.960 -0.171 0.000 0.214 481 G HA3 -0.138 3.719 3.960 -0.171 0.000 0.214 481 G C 1.520 176.394 174.900 -0.043 0.000 1.176 481 G CA 0.591 45.652 45.100 -0.066 0.000 0.786 481 G HN 0.187 nan 8.290 nan 0.000 0.533 482 I N -0.002 120.526 120.570 -0.069 0.000 2.163 482 I HA -0.223 3.845 4.170 -0.171 0.000 0.243 482 I C 2.596 178.744 176.117 0.052 0.000 1.085 482 I CA 1.241 62.520 61.300 -0.035 0.000 1.347 482 I CB -0.296 37.665 38.000 -0.065 0.000 1.044 482 I HN 0.138 nan 8.210 nan 0.000 0.408 483 H N 1.575 120.612 119.070 -0.055 0.000 2.319 483 H HA -0.121 4.333 4.556 -0.170 0.000 0.299 483 H C 2.378 177.687 175.328 -0.032 0.000 1.092 483 H CA 1.766 57.789 56.048 -0.043 0.000 1.302 483 H CB -0.068 29.658 29.762 -0.060 0.000 1.373 483 H HN 0.190 nan 8.280 nan 0.000 0.497 484 R N -0.524 120.016 120.500 0.067 0.000 2.096 484 R HA -0.070 4.167 4.340 -0.171 0.000 0.235 484 R C 2.691 179.009 176.300 0.029 0.000 1.127 484 R CA 1.425 57.520 56.100 -0.008 0.000 0.968 484 R CB -0.153 30.135 30.300 -0.021 0.000 0.861 484 R HN 0.317 nan 8.270 nan 0.000 0.440 485 I N 0.338 120.934 120.570 0.042 0.000 2.252 485 I HA -0.238 3.829 4.170 -0.171 0.000 0.245 485 I C 2.559 178.733 176.117 0.096 0.000 1.102 485 I CA 1.109 62.434 61.300 0.041 0.000 1.385 485 I CB -0.324 37.672 38.000 -0.007 0.000 1.064 485 I HN 0.181 nan 8.210 nan 0.000 0.414 486 A N 0.226 123.118 122.820 0.120 0.000 1.908 486 A HA -0.326 3.891 4.320 -0.171 0.000 0.218 486 A C 1.979 179.627 177.584 0.106 0.000 1.181 486 A CA 2.443 54.560 52.037 0.133 0.000 0.627 486 A CB -0.823 18.256 19.000 0.132 0.000 0.818 486 A HN 0.427 nan 8.150 nan 0.000 0.445 487 D N -1.485 118.969 120.400 0.090 0.000 2.263 487 D HA -0.070 4.467 4.640 -0.171 0.000 0.208 487 D C 1.838 178.162 176.300 0.040 0.000 0.971 487 D CA 1.036 55.063 54.000 0.045 0.000 0.867 487 D CB -0.112 40.680 40.800 -0.014 0.000 0.929 487 D HN 0.479 nan 8.370 nan 0.000 0.492 488 M N -0.604 119.029 119.600 0.055 0.000 2.394 488 M HA 0.033 4.410 4.480 -0.171 0.000 0.266 488 M C 0.862 177.202 176.300 0.068 0.000 1.098 488 M CA 0.227 55.559 55.300 0.054 0.000 1.149 488 M CB 0.334 32.966 32.600 0.053 0.000 1.369 488 M HN -0.122 nan 8.290 nan 0.000 0.450 489 S N 0.656 116.415 115.700 0.098 0.000 2.625 489 S HA 0.275 4.643 4.470 -0.171 0.000 0.262 489 S C -0.236 174.389 174.600 0.042 0.000 1.223 489 S CA -0.546 57.712 58.200 0.096 0.000 0.993 489 S CB 0.509 63.791 63.200 0.136 0.000 1.051 489 S HN 0.292 nan 8.310 nan 0.000 0.562 490 E N -1.769 118.437 120.200 0.010 0.000 2.445 490 E HA 0.641 4.888 4.350 -0.171 0.000 0.279 490 E C 0.153 176.738 176.600 -0.025 0.000 1.018 490 E CA -0.763 55.635 56.400 -0.002 0.000 0.816 490 E CB 0.033 29.732 29.700 -0.001 0.000 1.356 490 E HN 0.825 nan 8.360 nan 0.000 0.462 491 G N 0.800 109.588 108.800 -0.019 0.000 2.566 491 G HA2 -0.390 3.468 3.960 -0.171 0.000 0.280 491 G HA3 -0.390 3.468 3.960 -0.171 0.000 0.280 491 G C 0.917 175.796 174.900 -0.036 0.000 1.225 491 G CA 0.525 45.609 45.100 -0.028 0.000 0.966 491 G HN 0.640 nan 8.290 nan 0.000 0.560 492 E N -0.329 119.842 120.200 -0.049 0.000 2.033 492 E HA -0.167 4.080 4.350 -0.171 0.000 0.199 492 E C 2.898 179.455 176.600 -0.071 0.000 1.011 492 E CA 2.370 58.737 56.400 -0.054 0.000 0.815 492 E CB -0.786 28.878 29.700 -0.061 0.000 0.755 492 E HN 0.585 nan 8.360 nan 0.000 0.451 493 T N 1.252 115.736 114.554 -0.117 0.000 2.653 493 T HA -0.238 4.010 4.350 -0.171 0.000 0.268 493 T C 1.913 176.569 174.700 -0.075 0.000 1.035 493 T CA 2.083 64.081 62.100 -0.170 0.000 1.154 493 T CB -0.252 68.414 68.868 -0.337 0.000 0.862 493 T HN 0.212 nan 8.240 nan 0.000 0.441 494 K N 0.229 120.607 120.400 -0.035 0.000 2.097 494 K HA -0.152 4.065 4.320 -0.171 0.000 0.206 494 K C 2.500 179.106 176.600 0.009 0.000 1.049 494 K CA 1.071 57.366 56.287 0.014 0.000 0.933 494 K CB -0.055 32.456 32.500 0.019 0.000 0.717 494 K HN 0.130 nan 8.250 nan 0.000 0.442 495 Q N 1.216 121.010 119.800 -0.009 0.000 2.016 495 Q HA -0.175 4.062 4.340 -0.171 0.000 0.200 495 Q C 2.172 178.164 176.000 -0.014 0.000 0.978 495 Q CA 2.017 57.814 55.803 -0.009 0.000 0.833 495 Q CB -0.249 28.481 28.738 -0.014 0.000 0.895 495 Q HN 0.515 nan 8.270 nan 0.000 0.427 496 R N -0.175 120.311 120.500 -0.023 0.000 2.081 496 R HA -0.073 4.164 4.340 -0.171 0.000 0.235 496 R C 2.361 178.652 176.300 -0.015 0.000 1.131 496 R CA 1.354 57.441 56.100 -0.022 0.000 0.960 496 R CB -0.773 29.508 30.300 -0.032 0.000 0.856 496 R HN 0.191 nan 8.270 nan 0.000 0.436 497 L N 0.801 122.023 121.223 -0.002 0.000 2.093 497 L HA -0.118 4.120 4.340 -0.171 0.000 0.208 497 L C 2.855 179.704 176.870 -0.034 0.000 1.085 497 L CA 1.434 56.279 54.840 0.009 0.000 0.755 497 L CB -0.496 41.600 42.059 0.063 0.000 0.904 497 L HN 0.350 nan 8.230 nan 0.000 0.435 498 Q N -0.462 119.320 119.800 -0.031 0.000 2.084 498 Q HA -0.175 4.062 4.340 -0.171 0.000 0.202 498 Q C 2.394 178.341 176.000 -0.089 0.000 0.978 498 Q CA 1.904 57.662 55.803 -0.075 0.000 0.844 498 Q CB -0.010 28.717 28.738 -0.019 0.000 0.898 498 Q HN 0.448 nan 8.270 nan 0.000 0.426 499 S N 0.833 116.504 115.700 -0.049 0.000 2.406 499 S HA -0.108 4.259 4.470 -0.171 0.000 0.228 499 S C 1.761 176.335 174.600 -0.043 0.000 1.020 499 S CA 0.584 58.761 58.200 -0.038 0.000 0.965 499 S CB -0.141 63.048 63.200 -0.019 0.000 0.798 499 S HN 0.240 nan 8.310 nan 0.000 0.488 500 L N 1.984 123.180 121.223 -0.045 0.000 2.027 500 L HA 0.006 4.243 4.340 -0.171 0.000 0.206 500 L C 2.151 178.981 176.870 -0.068 0.000 1.074 500 L CA 1.600 56.415 54.840 -0.042 0.000 0.745 500 L CB -0.710 41.330 42.059 -0.032 0.000 0.898 500 L HN 0.118 nan 8.230 nan 0.000 0.433 501 V N -0.187 119.659 119.914 -0.112 0.000 2.358 501 V HA -0.279 3.738 4.120 -0.171 0.000 0.246 501 V C 2.647 178.657 176.094 -0.140 0.000 1.047 501 V CA 2.035 64.238 62.300 -0.162 0.000 1.035 501 V CB -0.665 30.966 31.823 -0.320 0.000 0.658 501 V HN 0.502 nan 8.190 nan 0.000 0.452 502 K N -0.264 120.059 120.400 -0.127 0.000 2.002 502 K HA -0.226 3.992 4.320 -0.171 0.000 0.209 502 K C 2.396 178.972 176.600 -0.039 0.000 1.048 502 K CA 2.076 58.315 56.287 -0.080 0.000 0.930 502 K CB -0.459 32.007 32.500 -0.057 0.000 0.714 502 K HN 0.455 nan 8.250 nan 0.000 0.438 503 T N 0.408 114.945 114.554 -0.028 0.000 2.746 503 T HA -0.099 4.148 4.350 -0.171 0.000 0.267 503 T C 1.849 176.548 174.700 -0.002 0.000 1.039 503 T CA 1.442 63.539 62.100 -0.004 0.000 1.142 503 T CB -0.164 68.707 68.868 0.005 0.000 0.866 503 T HN 0.231 nan 8.240 nan 0.000 0.444 504 I N 0.549 121.108 120.570 -0.019 0.000 2.142 504 I HA -0.122 3.946 4.170 -0.171 0.000 0.240 504 I C 2.567 178.688 176.117 0.006 0.000 1.078 504 I CA 0.961 62.251 61.300 -0.016 0.000 1.343 504 I CB -0.316 37.662 38.000 -0.036 0.000 1.046 504 I HN 0.118 nan 8.210 nan 0.000 0.405 505 V N 0.205 120.111 119.914 -0.013 0.000 2.392 505 V HA -0.335 3.682 4.120 -0.171 0.000 0.249 505 V C 2.314 178.422 176.094 0.024 0.000 1.059 505 V CA 1.901 64.199 62.300 -0.003 0.000 1.051 505 V CB -0.674 31.115 31.823 -0.056 0.000 0.658 505 V HN 0.489 nan 8.190 nan 0.000 0.455 506 Q N -0.131 119.681 119.800 0.020 0.000 2.311 506 Q HA -0.092 4.145 4.340 -0.171 0.000 0.203 506 Q C 2.258 178.291 176.000 0.054 0.000 0.954 506 Q CA 1.357 57.182 55.803 0.036 0.000 0.885 506 Q CB -0.077 28.678 28.738 0.028 0.000 0.963 506 Q HN 0.802 nan 8.270 nan 0.000 0.471 507 S N -0.230 115.505 115.700 0.058 0.000 2.562 507 S HA -0.046 4.321 4.470 -0.171 0.000 0.221 507 S C 0.457 175.124 174.600 0.113 0.000 0.975 507 S CA 0.082 58.328 58.200 0.077 0.000 0.918 507 S CB 0.216 63.453 63.200 0.062 0.000 0.772 507 S HN 0.075 nan 8.310 nan 0.000 0.531 508 D N 2.585 123.061 120.400 0.126 0.000 2.479 508 D HA 0.283 4.821 4.640 -0.171 0.000 0.218 508 D C 0.946 177.336 176.300 0.150 0.000 1.131 508 D CA -0.068 54.046 54.000 0.190 0.000 0.916 508 D CB 1.073 42.018 40.800 0.242 0.000 1.022 508 D HN 0.349 nan 8.370 nan 0.000 0.515 509 S N 2.588 118.379 115.700 0.151 0.000 2.593 509 S HA -0.092 4.275 4.470 -0.171 0.000 0.217 509 S C 1.493 176.168 174.600 0.124 0.000 0.966 509 S CA -0.094 58.175 58.200 0.114 0.000 0.914 509 S CB -0.196 63.067 63.200 0.106 0.000 0.776 509 S HN 0.563 nan 8.310 nan 0.000 0.523 510 Y N 0.909 121.203 120.300 -0.010 0.000 2.464 510 Y HA 0.397 4.844 4.550 -0.171 0.000 0.288 510 Y C 0.307 176.180 175.900 -0.044 0.000 1.133 510 Y CA -0.412 57.643 58.100 -0.075 0.000 1.223 510 Y CB 0.117 38.456 38.460 -0.202 0.000 1.187 510 Y HN 0.302 nan 8.280 nan 0.000 0.539 511 Y N 1.701 121.821 120.300 -0.300 0.000 2.409 511 Y HA 0.370 4.817 4.550 -0.172 0.000 0.339 511 Y C -1.003 174.842 175.900 -0.092 0.000 1.033 511 Y CA -1.747 56.181 58.100 -0.287 0.000 1.094 511 Y CB 0.948 39.340 38.460 -0.113 0.000 1.210 511 Y HN 0.084 nan 8.280 nan 0.000 0.456 512 D N 4.901 124.873 120.400 -0.712 0.000 2.411 512 D HA 0.050 4.588 4.640 -0.171 0.000 0.225 512 D C 0.885 176.866 176.300 -0.533 0.000 1.156 512 D CA 0.165 53.901 54.000 -0.439 0.000 0.874 512 D CB 1.168 41.786 40.800 -0.302 0.000 1.034 512 D HN 0.551 nan 8.370 nan 0.000 0.502 513 V N 4.755 124.536 119.914 -0.220 0.000 2.428 513 V HA -0.300 3.717 4.120 -0.171 0.000 0.255 513 V C 1.656 177.625 176.094 -0.209 0.000 1.080 513 V CA 1.832 64.047 62.300 -0.141 0.000 1.083 513 V CB -0.684 31.014 31.823 -0.209 0.000 0.665 513 V HN 0.589 nan 8.190 nan 0.000 0.461 514 F N 0.362 120.258 119.950 -0.090 0.000 2.408 514 F HA -0.069 4.355 4.527 -0.172 0.000 0.300 514 F C 2.252 178.011 175.800 -0.070 0.000 1.090 514 F CA 1.356 59.322 58.000 -0.057 0.000 1.427 514 F CB -0.427 38.540 39.000 -0.055 0.000 1.070 514 F HN 0.158 nan 8.300 nan 0.000 0.549 515 K N -0.466 119.921 120.400 -0.023 0.000 2.442 515 K HA -0.143 4.075 4.320 -0.171 0.000 0.198 515 K C 0.740 177.394 176.600 0.089 0.000 1.044 515 K CA 0.894 57.163 56.287 -0.030 0.000 0.948 515 K CB -0.199 32.160 32.500 -0.236 0.000 0.762 515 K HN 0.106 nan 8.250 nan 0.000 0.472 516 N N 0.401 119.170 118.700 0.115 0.000 2.451 516 N HA 0.154 4.791 4.740 -0.171 0.000 0.271 516 N C -1.376 174.159 175.510 0.041 0.000 1.410 516 N CA -0.052 53.063 53.050 0.109 0.000 0.884 516 N CB 0.540 39.130 38.487 0.173 0.000 1.332 516 N HN -0.037 nan 8.380 nan 0.000 0.498 517 L N 1.603 122.848 121.223 0.036 0.000 2.301 517 L HA 0.416 4.653 4.340 -0.171 0.000 0.278 517 L C 0.523 177.403 176.870 0.017 0.000 1.022 517 L CA -0.476 54.372 54.840 0.013 0.000 0.854 517 L CB 1.230 43.305 42.059 0.026 0.000 1.226 517 L HN -0.138 nan 8.230 nan 0.000 0.429 518 K N 1.176 121.554 120.400 -0.036 0.000 2.437 518 K HA 0.206 4.423 4.320 -0.171 0.000 0.205 518 K C 0.378 176.877 176.600 -0.168 0.000 1.026 518 K CA -0.061 56.179 56.287 -0.079 0.000 1.153 518 K CB 0.338 32.793 32.500 -0.075 0.000 0.863 518 K HN 0.583 nan 8.250 nan 0.000 0.502 519 T N -3.540 110.910 114.554 -0.174 0.000 2.896 519 T HA 0.390 4.637 4.350 -0.171 0.000 0.297 519 T C 0.510 175.088 174.700 -0.204 0.000 1.108 519 T CA -0.711 61.219 62.100 -0.284 0.000 1.004 519 T CB 0.775 69.522 68.868 -0.201 0.000 1.159 519 T HN -0.064 nan 8.240 nan 0.000 0.499 520 Y N 0.293 120.639 120.300 0.077 0.000 2.373 520 Y HA 0.195 4.641 4.550 -0.174 0.000 0.293 520 Y C 2.532 178.437 175.900 0.009 0.000 1.129 520 Y CA 0.421 58.589 58.100 0.113 0.000 1.226 520 Y CB -0.338 38.264 38.460 0.236 0.000 1.000 520 Y HN 0.480 nan 8.280 nan 0.000 0.549 521 K N 0.646 121.054 120.400 0.012 0.000 2.097 521 K HA -0.124 4.093 4.320 -0.171 0.000 0.205 521 K C 1.315 177.791 176.600 -0.206 0.000 1.050 521 K CA 1.229 57.341 56.287 -0.292 0.000 0.938 521 K CB -0.409 31.866 32.500 -0.375 0.000 0.718 521 K HN 0.314 nan 8.250 nan 0.000 0.442 522 D N 0.386 120.710 120.400 -0.126 0.000 2.178 522 D HA -0.090 4.448 4.640 -0.171 0.000 0.202 522 D C 2.029 178.314 176.300 -0.025 0.000 0.974 522 D CA 0.801 54.734 54.000 -0.112 0.000 0.841 522 D CB 0.062 40.812 40.800 -0.083 0.000 0.953 522 D HN 0.227 nan 8.370 nan 0.000 0.478 523 I N 0.526 121.145 120.570 0.083 0.000 2.233 523 I HA -0.219 3.848 4.170 -0.171 0.000 0.243 523 I C 2.601 178.843 176.117 0.208 0.000 1.093 523 I CA 0.672 62.129 61.300 0.263 0.000 1.380 523 I CB -0.198 37.978 38.000 0.293 0.000 1.067 523 I HN -0.074 nan 8.210 nan 0.000 0.413 524 S N 1.248 116.994 115.700 0.077 0.000 2.359 524 S HA -0.179 4.188 4.470 -0.171 0.000 0.224 524 S C 2.143 176.734 174.600 -0.015 0.000 1.035 524 S CA 1.352 59.562 58.200 0.018 0.000 1.018 524 S CB -0.394 62.772 63.200 -0.056 0.000 0.876 524 S HN 0.342 nan 8.310 nan 0.000 0.448 525 L N 0.209 121.360 121.223 -0.121 0.000 2.012 525 L HA -0.125 4.113 4.340 -0.171 0.000 0.210 525 L C 2.779 179.635 176.870 -0.024 0.000 1.073 525 L CA 1.877 56.573 54.840 -0.240 0.000 0.748 525 L CB -0.436 41.268 42.059 -0.592 0.000 0.891 525 L HN 0.440 nan 8.230 nan 0.000 0.431 526 M N -0.387 119.263 119.600 0.083 0.000 2.117 526 M HA -0.225 4.152 4.480 -0.171 0.000 0.262 526 M C 2.186 178.633 176.300 0.246 0.000 1.065 526 M CA 1.812 57.254 55.300 0.236 0.000 1.114 526 M CB -0.354 32.219 32.600 -0.044 0.000 1.361 526 M HN 0.136 nan 8.290 nan 0.000 0.408 527 Q N -1.142 118.833 119.800 0.292 0.000 2.050 527 Q HA -0.169 4.068 4.340 -0.171 0.000 0.202 527 Q C 2.265 178.348 176.000 0.138 0.000 0.980 527 Q CA 1.995 57.945 55.803 0.244 0.000 0.840 527 Q CB -0.418 28.418 28.738 0.163 0.000 0.898 527 Q HN 0.529 nan 8.270 nan 0.000 0.424 528 S N 0.775 116.537 115.700 0.104 0.000 2.359 528 S HA -0.165 4.203 4.470 -0.171 0.000 0.223 528 S C 1.755 176.408 174.600 0.090 0.000 1.039 528 S CA 0.940 59.184 58.200 0.074 0.000 1.042 528 S CB -0.443 62.788 63.200 0.051 0.000 0.915 528 S HN 0.336 nan 8.310 nan 0.000 0.439 529 L N 1.315 122.620 121.223 0.137 0.000 1.978 529 L HA -0.171 4.066 4.340 -0.171 0.000 0.218 529 L C 2.107 179.011 176.870 0.057 0.000 1.075 529 L CA 1.956 56.861 54.840 0.108 0.000 0.767 529 L CB -0.820 41.320 42.059 0.136 0.000 0.890 529 L HN 0.392 nan 8.230 nan 0.000 0.434 530 L N -0.309 120.957 121.223 0.072 0.000 2.201 530 L HA -0.152 4.085 4.340 -0.171 0.000 0.212 530 L C 2.492 179.394 176.870 0.054 0.000 1.105 530 L CA 1.331 56.206 54.840 0.059 0.000 0.775 530 L CB -0.417 41.698 42.059 0.093 0.000 0.913 530 L HN 0.428 nan 8.230 nan 0.000 0.440 531 S N -2.658 113.077 115.700 0.058 0.000 2.556 531 S HA 0.001 4.368 4.470 -0.171 0.000 0.216 531 S C 0.568 175.187 174.600 0.031 0.000 0.970 531 S CA -0.479 57.745 58.200 0.041 0.000 0.912 531 S CB -0.130 63.093 63.200 0.039 0.000 0.790 531 S HN 0.225 nan 8.310 nan 0.000 0.504 532 D N 1.865 122.285 120.400 0.033 0.000 2.380 532 D HA 0.540 5.078 4.640 -0.171 0.000 0.230 532 D C 1.067 177.379 176.300 0.019 0.000 1.154 532 D CA -0.039 53.976 54.000 0.026 0.000 0.859 532 D CB 1.376 42.194 40.800 0.030 0.000 1.045 532 D HN 0.194 nan 8.370 nan 0.000 0.495 533 A N 3.296 126.125 122.820 0.016 0.000 2.067 533 A HA 0.001 4.218 4.320 -0.171 0.000 0.219 533 A C 1.989 179.580 177.584 0.011 0.000 1.158 533 A CA 1.409 53.454 52.037 0.013 0.000 0.661 533 A CB -0.405 18.602 19.000 0.011 0.000 0.801 533 A HN 0.620 nan 8.150 nan 0.000 0.452 534 G N -0.833 107.973 108.800 0.011 0.000 2.471 534 G HA2 0.161 4.018 3.960 -0.171 0.000 0.219 534 G HA3 0.161 4.018 3.960 -0.171 0.000 0.219 534 G C 0.508 175.412 174.900 0.007 0.000 1.125 534 G CA 0.794 45.899 45.100 0.009 0.000 0.775 534 G HN 0.285 nan 8.290 nan 0.000 0.548 535 V N 1.758 121.677 119.914 0.008 0.000 2.385 535 V HA 0.582 4.599 4.120 -0.171 0.000 0.269 535 V C 0.797 176.891 176.094 0.002 0.000 1.043 535 V CA -1.029 61.274 62.300 0.004 0.000 0.906 535 V CB 0.518 32.343 31.823 0.003 0.000 0.995 535 V HN 0.414 nan 8.190 nan 0.000 0.467 536 A N 4.242 127.062 122.820 0.000 0.000 2.483 536 A HA 0.484 4.702 4.320 -0.171 0.000 0.238 536 A C 0.631 178.215 177.584 0.001 0.000 1.070 536 A CA 0.223 52.262 52.037 0.003 0.000 0.770 536 A CB 0.480 19.482 19.000 0.003 0.000 1.008 536 A HN 0.994 nan 8.150 nan 0.000 0.497 537 S N 1.728 117.432 115.700 0.007 0.000 2.293 537 S HA 0.473 4.840 4.470 -0.171 0.000 0.154 537 S C -0.960 173.651 174.600 0.018 0.000 1.602 537 S CA -0.508 57.698 58.200 0.009 0.000 1.260 537 S CB -0.277 62.928 63.200 0.009 0.000 1.270 537 S HN 0.705 nan 8.310 nan 0.000 0.416 538 V N 4.365 124.292 119.914 0.021 0.000 2.547 538 V HA 0.568 4.586 4.120 -0.171 0.000 0.299 538 V C -2.138 173.983 176.094 0.044 0.000 1.040 538 V CA -2.093 60.225 62.300 0.031 0.000 0.913 538 V CB 1.358 33.199 31.823 0.029 0.000 0.992 538 V HN 0.575 nan 8.190 nan 0.000 0.449 539 P HA 0.086 nan 4.420 nan 0.000 0.264 539 P C -0.216 177.147 177.300 0.105 0.000 1.183 539 P CA 0.047 63.198 63.100 0.084 0.000 0.763 539 P CB 0.277 32.032 31.700 0.092 0.000 0.807 540 R N 1.161 121.740 120.500 0.132 0.000 2.623 540 R HA 0.190 4.427 4.340 -0.171 0.000 0.271 540 R C 0.807 177.263 176.300 0.259 0.000 1.043 540 R CA 0.009 56.213 56.100 0.173 0.000 1.083 540 R CB -0.185 30.210 30.300 0.159 0.000 0.974 540 R HN 0.401 nan 8.270 nan 0.000 0.436 541 T N 0.373 115.060 114.554 0.222 0.000 2.847 541 T HA 0.107 4.354 4.350 -0.171 0.000 0.279 541 T C 0.351 175.191 174.700 0.234 0.000 0.984 541 T CA -0.367 61.838 62.100 0.175 0.000 0.988 541 T CB 0.837 69.771 68.868 0.109 0.000 1.040 541 T HN 0.518 nan 8.240 nan 0.000 0.528 542 S N 1.575 117.304 115.700 0.047 0.000 2.563 542 S HA 0.424 4.792 4.470 -0.171 0.000 0.284 542 S C -1.054 173.606 174.600 0.100 0.000 1.331 542 S CA 0.046 58.195 58.200 -0.084 0.000 1.047 542 S CB -0.266 62.831 63.200 -0.171 0.000 0.859 542 S HN 0.656 nan 8.310 nan 0.000 0.514 543 Y N -0.252 120.074 120.300 0.043 0.000 2.641 543 Y HA 0.698 5.146 4.550 -0.171 0.000 0.333 543 Y C -1.770 174.146 175.900 0.027 0.000 1.174 543 Y CA -1.398 56.726 58.100 0.039 0.000 1.057 543 Y CB 0.848 39.346 38.460 0.064 0.000 1.322 543 Y HN 0.503 nan 8.280 nan 0.000 0.457 544 L N 2.713 124.083 121.223 0.245 0.000 2.482 544 L HA 0.709 4.946 4.340 -0.171 0.000 0.269 544 L C -1.344 175.553 176.870 0.045 0.000 0.967 544 L CA -0.367 54.553 54.840 0.134 0.000 0.851 544 L CB 1.940 44.023 42.059 0.040 0.000 1.242 544 L HN 0.833 nan 8.230 nan 0.000 0.404 545 S N 3.401 119.077 115.700 -0.040 0.000 2.456 545 S HA 0.690 5.057 4.470 -0.171 0.000 0.316 545 S C -0.085 174.200 174.600 -0.525 0.000 1.089 545 S CA -0.478 57.483 58.200 -0.399 0.000 1.101 545 S CB 1.674 64.438 63.200 -0.727 0.000 0.995 545 S HN 0.659 nan 8.310 nan 0.000 0.468 546 A N 3.403 125.952 122.820 -0.452 0.000 2.444 546 A HA 0.579 4.796 4.320 -0.171 0.000 0.332 546 A C -0.583 176.804 177.584 -0.328 0.000 1.430 546 A CA -0.514 51.326 52.037 -0.328 0.000 0.975 546 A CB -0.579 18.266 19.000 -0.258 0.000 1.147 546 A HN 0.692 nan 8.150 nan 0.000 0.524 547 F N 2.316 122.226 119.950 -0.067 0.000 2.652 547 F HA 0.148 4.572 4.527 -0.171 0.000 0.352 547 F C 1.314 177.054 175.800 -0.101 0.000 1.259 547 F CA -0.551 57.408 58.000 -0.070 0.000 1.249 547 F CB -0.185 38.782 39.000 -0.055 0.000 1.628 547 F HN 0.551 nan 8.300 nan 0.000 0.654 548 N N 1.170 119.865 118.700 -0.007 0.000 2.309 548 N HA -0.125 4.512 4.740 -0.171 0.000 0.182 548 N C 1.739 177.228 175.510 -0.034 0.000 1.018 548 N CA 0.816 53.836 53.050 -0.049 0.000 0.876 548 N CB 0.142 38.536 38.487 -0.155 0.000 0.972 548 N HN 0.299 nan 8.380 nan 0.000 0.434 549 K N 0.791 121.138 120.400 -0.087 0.000 2.504 549 K HA 0.030 4.247 4.320 -0.171 0.000 0.195 549 K C 1.449 177.860 176.600 -0.315 0.000 1.036 549 K CA 0.369 56.482 56.287 -0.291 0.000 0.984 549 K CB 0.023 32.139 32.500 -0.641 0.000 0.788 549 K HN 0.470 nan 8.250 nan 0.000 0.488 550 M N -2.138 117.377 119.600 -0.142 0.000 2.414 550 M HA 0.239 4.617 4.480 -0.171 0.000 0.393 550 M C -1.133 175.157 176.300 -0.017 0.000 1.055 550 M CA -0.142 55.093 55.300 -0.109 0.000 0.937 550 M CB 0.640 33.154 32.600 -0.143 0.000 1.631 550 M HN -0.216 nan 8.290 nan 0.000 0.567 551 D N 2.051 122.459 120.400 0.013 0.000 2.701 551 D HA -0.116 4.421 4.640 -0.171 0.000 0.235 551 D C -0.683 175.650 176.300 0.056 0.000 1.155 551 D CA 1.090 55.117 54.000 0.045 0.000 0.649 551 D CB -0.500 40.346 40.800 0.077 0.000 1.050 551 D HN 0.462 nan 8.370 nan 0.000 0.425 552 K N -0.171 120.280 120.400 0.086 0.000 2.385 552 K HA 0.688 4.906 4.320 -0.171 0.000 0.248 552 K C 0.129 176.833 176.600 0.173 0.000 0.955 552 K CA -0.502 55.851 56.287 0.111 0.000 0.816 552 K CB 2.159 34.720 32.500 0.103 0.000 1.250 552 K HN -0.122 nan 8.250 nan 0.000 0.434 553 T N 0.479 115.102 114.554 0.115 0.000 2.991 553 T HA 0.611 4.858 4.350 -0.171 0.000 0.303 553 T C -1.293 173.481 174.700 0.123 0.000 1.015 553 T CA -0.670 61.475 62.100 0.075 0.000 1.007 553 T CB 1.648 70.517 68.868 0.002 0.000 1.034 553 T HN 0.573 nan 8.240 nan 0.000 0.446 554 A N 4.055 126.962 122.820 0.144 0.000 2.318 554 A HA 0.886 5.103 4.320 -0.171 0.000 0.317 554 A C -0.525 177.199 177.584 0.234 0.000 1.159 554 A CA -0.754 51.421 52.037 0.231 0.000 0.799 554 A CB 1.093 20.300 19.000 0.346 0.000 1.194 554 A HN 0.852 nan 8.150 nan 0.000 0.479 555 M N 3.093 122.849 119.600 0.261 0.000 2.395 555 M HA 0.674 5.052 4.480 -0.171 0.000 0.307 555 M C -2.343 173.967 176.300 0.016 0.000 1.091 555 M CA -0.648 54.743 55.300 0.151 0.000 0.919 555 M CB 2.032 34.786 32.600 0.258 0.000 1.662 555 M HN 0.788 nan 8.290 nan 0.000 0.440 556 Y N 4.200 124.188 120.300 -0.520 0.000 2.396 556 Y HA 0.454 4.901 4.550 -0.171 0.000 0.332 556 Y C -1.638 173.910 175.900 -0.587 0.000 1.034 556 Y CA -0.992 56.715 58.100 -0.656 0.000 1.057 556 Y CB 1.385 39.163 38.460 -1.135 0.000 1.220 556 Y HN 0.767 nan 8.280 nan 0.000 0.440 557 N N 4.450 122.328 118.700 -1.370 0.000 2.501 557 N HA 0.390 5.027 4.740 -0.171 0.000 0.245 557 N C 0.110 174.882 175.510 -1.230 0.000 0.974 557 N CA 0.521 52.884 53.050 -1.146 0.000 0.941 557 N CB 1.832 39.617 38.487 -1.170 0.000 1.122 557 N HN 0.891 nan 8.380 nan 0.000 0.507 558 A N 3.418 125.694 122.820 -0.906 0.000 1.968 558 A HA -0.088 4.129 4.320 -0.171 0.000 0.217 558 A C 1.829 179.276 177.584 -0.228 0.000 1.169 558 A CA 1.073 52.821 52.037 -0.482 0.000 0.638 558 A CB -0.352 18.557 19.000 -0.153 0.000 0.812 558 A HN 0.819 nan 8.150 nan 0.000 0.446 559 E N -0.231 119.842 120.200 -0.212 0.000 2.031 559 E HA -0.223 4.025 4.350 -0.171 0.000 0.193 559 E C 1.781 178.344 176.600 -0.062 0.000 0.994 559 E CA 1.525 57.863 56.400 -0.102 0.000 0.800 559 E CB -0.066 29.583 29.700 -0.085 0.000 0.752 559 E HN 0.442 nan 8.360 nan 0.000 0.447 560 K N -1.023 119.331 120.400 -0.077 0.000 2.314 560 K HA 0.091 4.309 4.320 -0.171 0.000 0.198 560 K C 0.551 177.205 176.600 0.090 0.000 1.045 560 K CA 0.715 57.036 56.287 0.056 0.000 0.988 560 K CB 0.652 33.275 32.500 0.204 0.000 0.783 560 K HN 0.330 nan 8.250 nan 0.000 0.484 561 G N 1.202 109.965 108.800 -0.062 0.000 2.291 561 G HA2 -0.227 3.630 3.960 -0.171 0.000 0.271 561 G HA3 -0.227 3.630 3.960 -0.171 0.000 0.271 561 G C -0.286 174.752 174.900 0.231 0.000 1.099 561 G CA 0.345 45.475 45.100 0.049 0.000 0.919 561 G HN 0.290 nan 8.290 nan 0.000 0.496 562 F N -1.093 118.893 119.950 0.060 0.000 2.603 562 F HA 0.900 5.324 4.527 -0.171 0.000 0.317 562 F C 0.246 176.233 175.800 0.311 0.000 1.066 562 F CA -1.430 56.693 58.000 0.205 0.000 0.941 562 F CB 1.235 40.323 39.000 0.146 0.000 1.291 562 F HN 0.416 nan 8.300 nan 0.000 0.472 563 G N 0.912 110.129 108.800 0.695 0.000 2.473 563 G HA2 0.658 4.515 3.960 -0.171 0.000 0.321 563 G HA3 0.658 4.515 3.960 -0.171 0.000 0.321 563 G C -2.527 172.883 174.900 0.850 0.000 1.200 563 G CA -0.887 44.600 45.100 0.646 0.000 0.963 563 G HN 0.862 nan 8.290 nan 0.000 0.483 564 F N 0.559 120.827 119.950 0.530 0.000 2.574 564 F HA 0.688 5.113 4.527 -0.171 0.000 0.313 564 F C -0.088 175.962 175.800 0.418 0.000 1.130 564 F CA -0.711 57.590 58.000 0.501 0.000 0.936 564 F CB 2.217 41.486 39.000 0.448 0.000 1.219 564 F HN 0.766 nan 8.300 nan 0.000 0.445 565 G N 5.369 114.015 108.800 -0.257 0.000 2.590 565 G HA2 0.583 4.441 3.960 -0.171 0.000 0.310 565 G HA3 0.583 4.441 3.960 -0.171 0.000 0.310 565 G C -2.566 172.072 174.900 -0.436 0.000 1.347 565 G CA -0.719 44.282 45.100 -0.166 0.000 0.963 565 G HN 0.663 nan 8.290 nan 0.000 0.494 566 L N 1.979 123.027 121.223 -0.293 0.000 2.305 566 L HA 0.712 4.949 4.340 -0.171 0.000 0.284 566 L C 0.073 176.870 176.870 -0.122 0.000 1.013 566 L CA -0.634 54.018 54.840 -0.313 0.000 0.819 566 L CB 1.951 43.777 42.059 -0.388 0.000 1.227 566 L HN 0.383 nan 8.230 nan 0.000 0.417 567 S N 5.901 121.580 115.700 -0.036 0.000 2.448 567 S HA 0.784 5.152 4.470 -0.171 0.000 0.320 567 S C -0.522 174.132 174.600 0.091 0.000 1.071 567 S CA -0.525 57.719 58.200 0.073 0.000 1.113 567 S CB -0.091 63.232 63.200 0.205 0.000 0.972 567 S HN 0.573 nan 8.310 nan 0.000 0.465 568 L N 3.776 125.070 121.223 0.118 0.000 2.194 568 L HA 0.856 5.093 4.340 -0.171 0.000 0.248 568 L C -0.826 176.280 176.870 0.393 0.000 1.071 568 L CA -1.279 53.711 54.840 0.249 0.000 0.901 568 L CB 1.472 43.606 42.059 0.126 0.000 1.497 568 L HN 0.683 nan 8.230 nan 0.000 0.442 569 F N -1.112 118.924 119.950 0.144 0.000 2.773 569 F HA 0.801 5.225 4.527 -0.171 0.000 0.314 569 F C -0.664 175.229 175.800 0.154 0.000 1.160 569 F CA -0.552 57.525 58.000 0.128 0.000 0.920 569 F CB 1.117 40.205 39.000 0.146 0.000 1.323 569 F HN 0.591 nan 8.300 nan 0.000 0.457 570 S N -0.394 115.269 115.700 -0.062 0.000 3.070 570 S HA 0.417 4.784 4.470 -0.171 0.000 0.320 570 S C 0.381 174.957 174.600 -0.040 0.000 1.215 570 S CA 0.023 58.118 58.200 -0.175 0.000 0.956 570 S CB 0.507 63.683 63.200 -0.040 0.000 1.337 570 S HN 1.529 nan 8.310 nan 0.000 0.639 571 S N 0.424 116.120 115.700 -0.007 0.000 2.481 571 S HA 0.030 4.397 4.470 -0.171 0.000 0.231 571 S C 1.376 176.013 174.600 0.061 0.000 0.996 571 S CA 0.425 58.648 58.200 0.039 0.000 0.942 571 S CB -0.600 62.620 63.200 0.033 0.000 0.768 571 S HN 0.655 nan 8.310 nan 0.000 0.520 572 R N 1.427 121.961 120.500 0.056 0.000 2.280 572 R HA 0.187 4.424 4.340 -0.171 0.000 0.195 572 R C 0.224 176.562 176.300 0.064 0.000 0.935 572 R CA 0.855 56.986 56.100 0.052 0.000 1.033 572 R CB 0.183 30.502 30.300 0.031 0.000 0.964 572 R HN 0.630 nan 8.270 nan 0.000 0.489 573 T N -2.206 112.417 114.554 0.116 0.000 2.883 573 T HA 0.414 4.661 4.350 -0.171 0.000 0.301 573 T C -0.792 174.052 174.700 0.241 0.000 1.158 573 T CA -0.961 61.221 62.100 0.136 0.000 1.007 573 T CB 1.838 70.782 68.868 0.127 0.000 1.186 573 T HN -0.121 nan 8.240 nan 0.000 0.499 574 L N 2.852 124.158 121.223 0.137 0.000 2.371 574 L HA 0.349 4.586 4.340 -0.171 0.000 0.272 574 L C 1.506 178.364 176.870 -0.020 0.000 1.124 574 L CA -0.274 54.614 54.840 0.080 0.000 0.816 574 L CB 0.685 42.731 42.059 -0.022 0.000 1.129 574 L HN 0.878 nan 8.230 nan 0.000 0.448 575 N N 2.540 121.058 118.700 -0.304 0.000 2.142 575 N HA -0.103 4.535 4.740 -0.171 0.000 0.186 575 N C -0.489 174.918 175.510 -0.172 0.000 1.023 575 N CA 1.478 54.100 53.050 -0.713 0.000 0.852 575 N CB -0.370 37.282 38.487 -1.390 0.000 0.998 575 N HN 0.589 nan 8.380 nan 0.000 0.424 576 Y N -2.458 117.701 120.300 -0.234 0.000 2.592 576 Y HA 0.552 4.999 4.550 -0.171 0.000 0.334 576 Y C -1.413 174.425 175.900 -0.103 0.000 1.136 576 Y CA -1.699 56.295 58.100 -0.177 0.000 1.042 576 Y CB 0.803 39.150 38.460 -0.188 0.000 1.325 576 Y HN 0.042 nan 8.280 nan 0.000 0.457 577 E N 3.272 123.407 120.200 -0.108 0.000 2.092 577 E HA 0.207 4.455 4.350 -0.171 0.000 0.271 577 E C -1.617 175.012 176.600 0.048 0.000 0.919 577 E CA -0.661 55.681 56.400 -0.098 0.000 0.760 577 E CB 0.531 30.248 29.700 0.028 0.000 1.106 577 E HN 0.850 nan 8.360 nan 0.000 0.408 578 H N 6.903 125.891 119.070 -0.136 0.000 2.673 578 H HA 0.389 4.842 4.556 -0.171 0.000 0.293 578 H C -1.255 174.063 175.328 -0.017 0.000 1.065 578 H CA -0.794 55.253 56.048 -0.003 0.000 1.236 578 H CB 0.710 30.523 29.762 0.085 0.000 1.389 578 H HN 0.579 nan 8.280 nan 0.000 0.481 579 M N 4.556 124.143 119.600 -0.022 0.000 2.531 579 M HA 0.178 4.556 4.480 -0.171 0.000 0.286 579 M C -0.602 175.678 176.300 -0.034 0.000 1.232 579 M CA -0.483 54.751 55.300 -0.110 0.000 0.877 579 M CB 1.691 34.282 32.600 -0.014 0.000 1.726 579 M HN 0.760 nan 8.290 nan 0.000 0.463 580 N N 2.339 121.005 118.700 -0.057 0.000 2.708 580 N HA -0.182 4.455 4.740 -0.171 0.000 0.251 580 N C -0.766 174.753 175.510 0.015 0.000 1.123 580 N CA 1.621 54.660 53.050 -0.019 0.000 0.739 580 N CB -0.882 37.591 38.487 -0.024 0.000 1.113 580 N HN 0.815 nan 8.380 nan 0.000 0.561 581 K N -2.647 117.778 120.400 0.042 0.000 3.467 581 K HA -0.215 4.003 4.320 -0.171 0.000 0.309 581 K C -0.581 176.119 176.600 0.168 0.000 1.350 581 K CA 1.320 57.698 56.287 0.151 0.000 0.934 581 K CB -1.414 31.140 32.500 0.090 0.000 1.312 581 K HN 0.607 nan 8.250 nan 0.000 0.461 582 E N 1.199 121.496 120.200 0.163 0.000 2.214 582 E HA 0.293 4.540 4.350 -0.171 0.000 0.274 582 E C 0.114 176.788 176.600 0.123 0.000 0.977 582 E CA -1.040 55.422 56.400 0.102 0.000 0.827 582 E CB 0.750 30.476 29.700 0.043 0.000 1.130 582 E HN 0.136 nan 8.360 nan 0.000 0.394 583 N N 1.592 120.282 118.700 -0.017 0.000 2.708 583 N HA -0.190 4.447 4.740 -0.171 0.000 0.255 583 N C 0.036 175.399 175.510 -0.245 0.000 1.046 583 N CA 0.452 53.423 53.050 -0.132 0.000 0.715 583 N CB -0.562 37.876 38.487 -0.081 0.000 0.895 583 N HN 0.551 nan 8.380 nan 0.000 0.545 584 K N 0.132 120.302 120.400 -0.383 0.000 2.283 584 K HA -0.024 4.193 4.320 -0.171 0.000 0.202 584 K C 0.565 176.677 176.600 -0.814 0.000 1.048 584 K CA 0.919 56.806 56.287 -0.667 0.000 0.948 584 K CB 0.155 32.404 32.500 -0.419 0.000 0.742 584 K HN 0.460 nan 8.250 nan 0.000 0.458 585 R N 0.095 120.014 120.500 -0.969 0.000 2.748 585 R HA 0.138 4.375 4.340 -0.171 0.000 0.395 585 R C 0.838 176.172 176.300 -1.611 0.000 1.128 585 R CA -0.176 54.836 56.100 -1.813 0.000 1.042 585 R CB 0.947 30.313 30.300 -1.556 0.000 1.392 585 R HN 0.034 nan 8.270 nan 0.000 0.582 586 G N 0.198 108.226 108.800 -1.287 0.000 3.262 586 G HA2 -0.076 3.781 3.960 -0.171 0.000 0.228 586 G HA3 -0.076 3.781 3.960 -0.171 0.000 0.228 586 G C 0.690 174.779 174.900 -1.351 0.000 1.197 586 G CA -0.404 44.099 45.100 -0.996 0.000 0.819 586 G HN 0.341 nan 8.290 nan 0.000 0.531 587 W N 0.577 120.982 121.300 -1.491 0.000 2.275 587 W HA -0.202 4.355 4.660 -0.171 0.000 0.321 587 W C 0.956 176.924 176.519 -0.917 0.000 1.269 587 W CA 0.933 57.380 57.345 -1.496 0.000 1.274 587 W CB -0.966 27.515 29.460 -1.632 0.000 1.141 587 W HN 0.407 nan 8.180 nan 0.000 0.493 588 Y N 0.207 120.471 120.300 -0.061 0.000 2.636 588 Y HA 0.125 4.573 4.550 -0.171 0.000 0.260 588 Y C 2.087 178.020 175.900 0.055 0.000 1.177 588 Y CA 0.326 58.464 58.100 0.063 0.000 1.209 588 Y CB -1.222 37.311 38.460 0.123 0.000 1.166 588 Y HN -0.107 nan 8.280 nan 0.000 0.531 589 T N -4.488 110.117 114.554 0.085 0.000 3.163 589 T HA -0.016 4.231 4.350 -0.171 0.000 0.260 589 T C 1.168 175.964 174.700 0.161 0.000 1.156 589 T CA 1.105 63.284 62.100 0.132 0.000 1.072 589 T CB -0.150 68.766 68.868 0.081 0.000 0.937 589 T HN 0.140 nan 8.240 nan 0.000 0.528 590 S N 0.479 116.279 115.700 0.168 0.000 2.960 590 S HA 0.207 4.575 4.470 -0.171 0.000 0.256 590 S C -0.295 174.560 174.600 0.426 0.000 1.017 590 S CA -0.484 57.850 58.200 0.225 0.000 1.144 590 S CB 0.421 63.683 63.200 0.103 0.000 1.109 590 S HN 0.335 nan 8.310 nan 0.000 0.638 591 D N 2.236 122.880 120.400 0.407 0.000 3.038 591 D HA 0.406 4.943 4.640 -0.171 0.000 0.243 591 D C 1.087 177.536 176.300 0.248 0.000 1.245 591 D CA 0.377 54.650 54.000 0.455 0.000 0.871 591 D CB -0.273 40.791 40.800 0.439 0.000 1.089 591 D HN 0.439 nan 8.370 nan 0.000 0.464 592 G N 1.189 110.187 108.800 0.330 0.000 2.171 592 G HA2 -0.306 3.551 3.960 -0.171 0.000 0.238 592 G HA3 -0.306 3.551 3.960 -0.171 0.000 0.238 592 G C 0.271 175.403 174.900 0.385 0.000 1.039 592 G CA -0.141 45.200 45.100 0.403 0.000 0.759 592 G HN 0.397 nan 8.290 nan 0.000 0.501 593 M N 0.450 120.196 119.600 0.243 0.000 2.211 593 M HA 0.664 5.041 4.480 -0.171 0.000 0.356 593 M C 0.425 176.805 176.300 0.135 0.000 1.216 593 M CA -0.750 54.658 55.300 0.179 0.000 1.134 593 M CB 0.299 32.941 32.600 0.070 0.000 1.564 593 M HN 0.486 nan 8.290 nan 0.000 0.463 594 F N 3.456 123.410 119.950 0.006 0.000 2.538 594 F HA 0.692 5.116 4.527 -0.171 0.000 0.325 594 F C -2.258 173.393 175.800 -0.248 0.000 1.066 594 F CA -1.032 56.912 58.000 -0.093 0.000 0.946 594 F CB 0.819 39.958 39.000 0.233 0.000 1.199 594 F HN 0.441 nan 8.300 nan 0.000 0.473 595 Y N 2.542 122.704 120.300 -0.231 0.000 2.393 595 Y HA 0.638 5.086 4.550 -0.171 0.000 0.341 595 Y C -1.025 174.832 175.900 -0.072 0.000 0.988 595 Y CA -1.025 56.869 58.100 -0.343 0.000 1.078 595 Y CB 2.127 40.276 38.460 -0.517 0.000 1.203 595 Y HN 0.780 nan 8.280 nan 0.000 0.453 596 L N 4.278 125.549 121.223 0.079 0.000 2.343 596 L HA 0.533 4.770 4.340 -0.171 0.000 0.278 596 L C -2.032 174.828 176.870 -0.015 0.000 0.996 596 L CA -0.757 54.215 54.840 0.220 0.000 0.831 596 L CB 0.411 42.636 42.059 0.277 0.000 1.232 596 L HN 0.466 nan 8.230 nan 0.000 0.413 597 Y N 5.469 125.998 120.300 0.382 0.000 2.434 597 Y HA 0.460 4.907 4.550 -0.171 0.000 0.341 597 Y C 0.397 176.464 175.900 0.279 0.000 0.965 597 Y CA -0.550 57.734 58.100 0.307 0.000 1.205 597 Y CB 0.504 39.138 38.460 0.291 0.000 1.121 597 Y HN 0.786 nan 8.280 nan 0.000 0.507 598 N N 0.040 118.901 118.700 0.268 0.000 3.357 598 N HA 0.361 4.998 4.740 -0.171 0.000 0.359 598 N C 1.460 177.074 175.510 0.174 0.000 1.477 598 N CA -0.233 52.951 53.050 0.223 0.000 0.645 598 N CB -0.337 38.219 38.487 0.115 0.000 1.703 598 N HN 0.450 nan 8.380 nan 0.000 0.597 599 G N -1.186 107.686 108.800 0.121 0.000 2.450 599 G HA2 -0.212 3.646 3.960 -0.171 0.000 0.220 599 G HA3 -0.212 3.646 3.960 -0.171 0.000 0.220 599 G C 0.098 175.036 174.900 0.064 0.000 1.130 599 G CA 1.129 46.285 45.100 0.093 0.000 0.760 599 G HN 0.708 nan 8.290 nan 0.000 0.557 600 D N 0.395 120.812 120.400 0.029 0.000 2.470 600 D HA 0.201 4.739 4.640 -0.171 0.000 0.226 600 D C 1.408 177.707 176.300 -0.002 0.000 1.196 600 D CA -0.413 53.579 54.000 -0.012 0.000 0.979 600 D CB 0.378 41.152 40.800 -0.044 0.000 1.059 600 D HN -0.067 nan 8.370 nan 0.000 0.515 601 L N 2.404 123.630 121.223 0.005 0.000 2.456 601 L HA -0.080 4.157 4.340 -0.171 0.000 0.224 601 L C 2.194 178.921 176.870 -0.238 0.000 1.148 601 L CA 1.061 55.926 54.840 0.042 0.000 0.825 601 L CB -0.395 41.736 42.059 0.120 0.000 0.937 601 L HN 0.418 nan 8.230 nan 0.000 0.450 602 S N -3.052 112.341 115.700 -0.511 0.000 2.557 602 S HA -0.048 4.320 4.470 -0.171 0.000 0.223 602 S C 1.912 176.313 174.600 -0.331 0.000 0.969 602 S CA -0.286 57.444 58.200 -0.784 0.000 0.927 602 S CB -0.622 62.097 63.200 -0.802 0.000 0.806 602 S HN 0.492 nan 8.310 nan 0.000 0.489 603 H N 1.252 120.108 119.070 -0.357 0.000 2.289 603 H HA -0.185 4.268 4.556 -0.171 0.000 0.294 603 H C 0.493 175.421 175.328 -0.667 0.000 1.095 603 H CA 2.242 57.970 56.048 -0.533 0.000 1.256 603 H CB -0.268 29.047 29.762 -0.744 0.000 1.359 603 H HN 0.603 nan 8.280 nan 0.000 0.487 604 Y N 0.570 120.692 120.300 -0.296 0.000 2.462 604 Y HA 0.175 4.622 4.550 -0.171 0.000 0.293 604 Y C 1.078 176.944 175.900 -0.057 0.000 1.195 604 Y CA -0.175 57.645 58.100 -0.466 0.000 1.276 604 Y CB 0.368 38.684 38.460 -0.239 0.000 1.082 604 Y HN -0.007 nan 8.280 nan 0.000 0.514 605 S N -1.297 114.446 115.700 0.072 0.000 2.795 605 S HA 0.257 4.624 4.470 -0.171 0.000 0.308 605 S C -0.409 174.307 174.600 0.192 0.000 1.098 605 S CA -0.750 57.585 58.200 0.225 0.000 0.934 605 S CB 0.792 64.136 63.200 0.240 0.000 1.300 605 S HN 0.236 nan 8.310 nan 0.000 0.566 606 D N 0.590 121.157 120.400 0.278 0.000 2.723 606 D HA -0.123 4.414 4.640 -0.171 0.000 0.236 606 D C 0.671 177.109 176.300 0.230 0.000 1.138 606 D CA 1.438 55.580 54.000 0.237 0.000 0.676 606 D CB -1.643 39.242 40.800 0.141 0.000 1.069 606 D HN 1.151 nan 8.370 nan 0.000 0.430 607 G N -0.735 108.292 108.800 0.378 0.000 2.160 607 G HA2 -0.447 3.410 3.960 -0.171 0.000 0.244 607 G HA3 -0.447 3.410 3.960 -0.171 0.000 0.244 607 G C 0.584 175.489 174.900 0.008 0.000 1.022 607 G CA 0.799 46.035 45.100 0.227 0.000 0.741 607 G HN 0.543 nan 8.290 nan 0.000 0.508 608 Y N -0.712 119.557 120.300 -0.052 0.000 2.145 608 Y HA -0.022 4.425 4.550 -0.171 0.000 0.286 608 Y C 2.543 178.285 175.900 -0.262 0.000 1.145 608 Y CA 2.450 60.444 58.100 -0.177 0.000 1.148 608 Y CB -0.320 37.928 38.460 -0.352 0.000 0.981 608 Y HN 0.366 nan 8.280 nan 0.000 0.507 609 W N 1.307 122.533 121.300 -0.124 0.000 2.338 609 W HA -0.140 4.418 4.660 -0.171 0.000 0.304 609 W C -0.383 175.770 176.519 -0.610 0.000 1.212 609 W CA 1.253 58.394 57.345 -0.340 0.000 1.264 609 W CB -1.395 28.021 29.460 -0.073 0.000 1.142 609 W HN 0.193 nan 8.180 nan 0.000 0.512 610 P HA 0.021 nan 4.420 nan 0.000 0.249 610 P C 0.890 177.926 177.300 -0.441 0.000 1.229 610 P CA 1.608 64.319 63.100 -0.648 0.000 0.788 610 P CB 0.057 31.102 31.700 -1.091 0.000 1.072 611 T N -4.719 109.588 114.554 -0.412 0.000 2.959 611 T HA 0.141 4.388 4.350 -0.171 0.000 0.254 611 T C 0.659 175.012 174.700 -0.577 0.000 1.003 611 T CA -0.150 61.757 62.100 -0.321 0.000 0.950 611 T CB -0.615 68.203 68.868 -0.083 0.000 1.090 611 T HN -0.094 nan 8.240 nan 0.000 0.503 612 V N 3.473 122.907 119.914 -0.799 0.000 2.740 612 V HA 0.328 4.345 4.120 -0.171 0.000 0.303 612 V C 0.067 175.743 176.094 -0.696 0.000 1.054 612 V CA -0.680 60.921 62.300 -1.166 0.000 1.106 612 V CB 0.477 31.535 31.823 -1.275 0.000 0.957 612 V HN 0.516 nan 8.190 nan 0.000 0.486 613 N N 8.597 126.929 118.700 -0.615 0.000 2.406 613 N HA 0.223 4.860 4.740 -0.171 0.000 0.265 613 N C -1.391 174.036 175.510 -0.138 0.000 1.203 613 N CA -1.835 51.055 53.050 -0.266 0.000 0.945 613 N CB 1.255 39.632 38.487 -0.183 0.000 1.165 613 N HN 0.498 nan 8.380 nan 0.000 0.485 614 P HA -0.124 nan 4.420 nan 0.000 0.225 614 P C 0.398 177.734 177.300 0.060 0.000 1.148 614 P CA 1.193 64.210 63.100 -0.138 0.000 0.779 614 P CB -0.003 31.439 31.700 -0.431 0.000 0.780 615 Y N 0.400 120.833 120.300 0.222 0.000 2.523 615 Y HA 0.112 4.559 4.550 -0.171 0.000 0.279 615 Y C 1.447 177.439 175.900 0.153 0.000 1.139 615 Y CA 0.636 58.912 58.100 0.294 0.000 1.296 615 Y CB 0.116 38.682 38.460 0.177 0.000 1.045 615 Y HN -0.118 nan 8.280 nan 0.000 0.538 616 K N 0.215 120.729 120.400 0.189 0.000 3.237 616 K HA 0.224 4.442 4.320 -0.171 0.000 0.197 616 K C -0.673 175.954 176.600 0.044 0.000 1.133 616 K CA -0.345 55.993 56.287 0.086 0.000 0.944 616 K CB 0.440 32.959 32.500 0.032 0.000 0.952 616 K HN -0.001 nan 8.250 nan 0.000 0.515 617 M N 2.896 122.548 119.600 0.086 0.000 2.248 617 M HA 0.104 4.481 4.480 -0.171 0.000 0.345 617 M C -2.177 174.148 176.300 0.041 0.000 1.243 617 M CA -2.799 52.533 55.300 0.052 0.000 1.090 617 M CB -0.611 32.061 32.600 0.120 0.000 1.683 617 M HN 0.060 nan 8.290 nan 0.000 0.450 618 P HA 0.108 nan 4.420 nan 0.000 0.263 618 P C 0.838 178.276 177.300 0.230 0.000 1.195 618 P CA 0.822 63.912 63.100 -0.017 0.000 0.762 618 P CB 0.425 31.900 31.700 -0.376 0.000 0.799 619 G N 2.188 111.271 108.800 0.470 0.000 2.217 619 G HA2 -0.218 3.639 3.960 -0.171 0.000 0.246 619 G HA3 -0.218 3.639 3.960 -0.171 0.000 0.246 619 G C 0.285 175.444 174.900 0.431 0.000 0.990 619 G CA 0.370 45.873 45.100 0.671 0.000 0.627 619 G HN 0.880 nan 8.290 nan 0.000 0.522 620 T N -0.579 114.125 114.554 0.250 0.000 2.882 620 T HA 0.614 4.861 4.350 -0.171 0.000 0.287 620 T C -0.005 174.732 174.700 0.062 0.000 0.992 620 T CA 0.434 62.610 62.100 0.127 0.000 1.076 620 T CB 2.056 70.975 68.868 0.086 0.000 0.961 620 T HN 0.308 nan 8.240 nan 0.000 0.490 621 T N 4.138 118.697 114.554 0.009 0.000 2.767 621 T HA 0.559 4.807 4.350 -0.171 0.000 0.284 621 T C -0.527 174.247 174.700 0.122 0.000 0.973 621 T CA -0.715 61.453 62.100 0.112 0.000 0.996 621 T CB 0.710 69.691 68.868 0.187 0.000 0.927 621 T HN 0.732 nan 8.240 nan 0.000 0.456 622 E N 1.284 121.557 120.200 0.122 0.000 2.423 622 E HA 0.378 4.625 4.350 -0.171 0.000 0.280 622 E C -0.607 176.070 176.600 0.129 0.000 1.030 622 E CA -0.877 55.578 56.400 0.092 0.000 0.812 622 E CB 1.474 31.048 29.700 -0.210 0.000 1.313 622 E HN 0.650 nan 8.360 nan 0.000 0.456 623 T N -2.132 112.520 114.554 0.164 0.000 2.902 623 T HA 0.266 4.514 4.350 -0.171 0.000 0.280 623 T C 0.538 175.332 174.700 0.158 0.000 0.992 623 T CA -0.637 61.558 62.100 0.159 0.000 1.015 623 T CB 0.695 69.669 68.868 0.176 0.000 1.044 623 T HN 0.453 nan 8.240 nan 0.000 0.520 624 D N -0.197 120.269 120.400 0.110 0.000 2.325 624 D HA 0.215 4.752 4.640 -0.171 0.000 0.234 624 D C 0.832 177.166 176.300 0.057 0.000 1.122 624 D CA -0.462 53.577 54.000 0.065 0.000 0.850 624 D CB -0.896 39.902 40.800 -0.004 0.000 0.921 624 D HN 0.787 nan 8.370 nan 0.000 0.513 625 A N 0.758 123.672 122.820 0.157 0.000 2.531 625 A HA 0.112 4.329 4.320 -0.171 0.000 0.236 625 A C 0.669 178.332 177.584 0.132 0.000 1.062 625 A CA -0.341 51.798 52.037 0.170 0.000 0.760 625 A CB 0.272 19.466 19.000 0.324 0.000 0.995 625 A HN 0.266 nan 8.150 nan 0.000 0.501 626 K N 1.303 121.730 120.400 0.045 0.000 2.319 626 K HA 0.215 4.432 4.320 -0.171 0.000 0.265 626 K C -0.376 176.162 176.600 -0.103 0.000 1.000 626 K CA -0.171 56.116 56.287 -0.000 0.000 0.943 626 K CB 0.331 32.815 32.500 -0.026 0.000 0.950 626 K HN 0.721 nan 8.250 nan 0.000 0.485 627 R N 0.840 121.158 120.500 -0.303 0.000 2.854 627 R HA 0.477 4.714 4.340 -0.171 0.000 0.271 627 R C -1.042 174.931 176.300 -0.546 0.000 0.996 627 R CA -0.869 54.685 56.100 -0.910 0.000 0.961 627 R CB 1.866 30.804 30.300 -2.270 0.000 1.182 627 R HN 0.746 nan 8.270 nan 0.000 0.479 628 A N 0.810 123.394 122.820 -0.394 0.000 2.305 628 A HA 0.323 4.541 4.320 -0.171 0.000 0.322 628 A C 0.143 177.836 177.584 0.182 0.000 1.187 628 A CA -0.492 51.522 52.037 -0.039 0.000 0.825 628 A CB 0.539 19.535 19.000 -0.006 0.000 1.164 628 A HN 0.613 nan 8.150 nan 0.000 0.498 629 D N 1.161 121.691 120.400 0.216 0.000 2.218 629 D HA -0.124 4.413 4.640 -0.171 0.000 0.204 629 D C 2.150 178.514 176.300 0.106 0.000 0.976 629 D CA 2.004 56.091 54.000 0.144 0.000 0.853 629 D CB 0.001 40.827 40.800 0.044 0.000 0.939 629 D HN 0.620 nan 8.370 nan 0.000 0.481 630 S N -0.137 115.664 115.700 0.168 0.000 2.481 630 S HA -0.074 4.294 4.470 -0.171 0.000 0.231 630 S C 0.689 175.457 174.600 0.281 0.000 0.996 630 S CA -0.055 58.285 58.200 0.233 0.000 0.942 630 S CB -0.060 63.230 63.200 0.150 0.000 0.768 630 S HN -0.003 nan 8.310 nan 0.000 0.520 631 D N 2.474 123.029 120.400 0.258 0.000 2.346 631 D HA 0.394 4.931 4.640 -0.171 0.000 0.236 631 D C 0.711 177.239 176.300 0.380 0.000 1.259 631 D CA 0.969 55.129 54.000 0.267 0.000 0.898 631 D CB 0.662 41.585 40.800 0.206 0.000 1.178 631 D HN 0.547 nan 8.370 nan 0.000 0.457 632 T N -3.243 111.439 114.554 0.214 0.000 2.812 632 T HA 0.665 4.912 4.350 -0.171 0.000 0.294 632 T C 0.435 175.004 174.700 -0.218 0.000 1.159 632 T CA -0.966 61.132 62.100 -0.003 0.000 1.008 632 T CB 1.047 69.884 68.868 -0.051 0.000 1.289 632 T HN 0.302 nan 8.240 nan 0.000 0.514 633 G N 0.692 109.169 108.800 -0.538 0.000 2.630 633 G HA2 0.493 4.351 3.960 -0.171 0.000 0.236 633 G HA3 0.493 4.351 3.960 -0.171 0.000 0.236 633 G C -0.652 174.181 174.900 -0.112 0.000 1.248 633 G CA -0.343 44.476 45.100 -0.469 0.000 0.844 633 G HN 0.716 nan 8.290 nan 0.000 0.588 634 K N -0.644 119.754 120.400 -0.003 0.000 2.512 634 K HA 0.479 4.697 4.320 -0.171 0.000 0.263 634 K C -0.190 176.567 176.600 0.262 0.000 0.966 634 K CA -0.721 55.650 56.287 0.140 0.000 0.851 634 K CB 1.979 34.617 32.500 0.231 0.000 1.395 634 K HN 0.521 nan 8.250 nan 0.000 0.440 635 V N -1.256 118.827 119.914 0.282 0.000 3.109 635 V HA 0.544 4.562 4.120 -0.171 0.000 0.317 635 V C 0.055 176.377 176.094 0.380 0.000 1.074 635 V CA -1.111 61.406 62.300 0.362 0.000 1.033 635 V CB 1.131 33.069 31.823 0.190 0.000 1.111 635 V HN 0.646 nan 8.190 nan 0.000 0.458 636 L N 2.950 124.270 121.223 0.161 0.000 2.350 636 L HA 0.527 4.765 4.340 -0.171 0.000 0.275 636 L C -1.686 175.182 176.870 -0.004 0.000 1.099 636 L CA -1.359 53.434 54.840 -0.078 0.000 0.808 636 L CB 1.426 43.147 42.059 -0.565 0.000 1.149 636 L HN 0.491 nan 8.230 nan 0.000 0.442 637 P HA -0.085 nan 4.420 nan 0.000 0.218 637 P C -0.131 177.180 177.300 0.019 0.000 1.148 637 P CA 0.828 63.940 63.100 0.020 0.000 0.822 637 P CB 0.209 31.916 31.700 0.013 0.000 0.784 638 S N -1.568 114.140 115.700 0.013 0.000 2.617 638 S HA 0.561 4.929 4.470 -0.171 0.000 0.283 638 S C 0.941 175.568 174.600 0.045 0.000 1.189 638 S CA -0.246 57.984 58.200 0.050 0.000 1.036 638 S CB 0.831 64.093 63.200 0.104 0.000 1.014 638 S HN 0.021 nan 8.310 nan 0.000 0.522 639 A N 3.429 126.295 122.820 0.077 0.000 2.303 639 A HA 0.333 4.550 4.320 -0.171 0.000 0.217 639 A C 0.369 178.013 177.584 0.100 0.000 1.205 639 A CA -0.234 51.843 52.037 0.066 0.000 0.875 639 A CB -0.257 18.775 19.000 0.054 0.000 0.910 639 A HN 0.728 nan 8.150 nan 0.000 0.501 640 F N 1.752 121.677 119.950 -0.041 0.000 2.661 640 F HA 0.433 4.857 4.527 -0.171 0.000 0.356 640 F C -0.488 175.297 175.800 -0.025 0.000 1.244 640 F CA -0.373 57.581 58.000 -0.076 0.000 1.290 640 F CB 0.065 38.995 39.000 -0.117 0.000 1.677 640 F HN -0.095 nan 8.300 nan 0.000 0.649 641 V N 2.766 122.591 119.914 -0.148 0.000 2.612 641 V HA 0.874 4.891 4.120 -0.171 0.000 0.301 641 V C -0.054 175.989 176.094 -0.083 0.000 1.059 641 V CA -0.447 61.803 62.300 -0.082 0.000 0.886 641 V CB 1.323 33.150 31.823 0.006 0.000 1.007 641 V HN 0.693 nan 8.190 nan 0.000 0.426 642 G N 2.415 111.169 108.800 -0.078 0.000 2.338 642 G HA2 0.539 4.396 3.960 -0.171 0.000 0.295 642 G HA3 0.539 4.396 3.960 -0.171 0.000 0.295 642 G C -1.212 173.671 174.900 -0.027 0.000 1.461 642 G CA -0.450 44.662 45.100 0.020 0.000 0.817 642 G HN 0.496 nan 8.290 nan 0.000 0.556 643 T N 0.441 114.928 114.554 -0.111 0.000 2.807 643 T HA 0.621 4.868 4.350 -0.171 0.000 0.279 643 T C -0.167 174.371 174.700 -0.270 0.000 0.993 643 T CA -0.327 61.679 62.100 -0.157 0.000 0.970 643 T CB 1.574 70.352 68.868 -0.149 0.000 0.950 643 T HN 0.719 nan 8.240 nan 0.000 0.441 644 S N 2.888 118.501 115.700 -0.145 0.000 2.461 644 S HA 0.364 4.731 4.470 -0.171 0.000 0.322 644 S C -0.251 174.301 174.600 -0.080 0.000 1.063 644 S CA -0.805 57.320 58.200 -0.125 0.000 1.120 644 S CB 0.032 63.203 63.200 -0.048 0.000 0.968 644 S HN 0.612 nan 8.310 nan 0.000 0.467 645 K N 5.053 125.388 120.400 -0.108 0.000 2.253 645 K HA 0.279 4.496 4.320 -0.171 0.000 0.277 645 K C 0.620 177.209 176.600 -0.018 0.000 1.053 645 K CA -0.629 55.622 56.287 -0.060 0.000 0.892 645 K CB 0.935 33.379 32.500 -0.093 0.000 1.102 645 K HN 0.611 nan 8.250 nan 0.000 0.469 646 L N 4.038 125.272 121.223 0.018 0.000 2.145 646 L HA 0.117 4.354 4.340 -0.171 0.000 0.201 646 L C -0.059 176.824 176.870 0.022 0.000 1.075 646 L CA 1.705 56.566 54.840 0.035 0.000 0.773 646 L CB -0.027 42.074 42.059 0.070 0.000 0.936 646 L HN 0.937 nan 8.230 nan 0.000 0.451 647 D N -2.852 117.559 120.400 0.020 0.000 3.009 647 D HA 0.105 4.642 4.640 -0.171 0.000 0.318 647 D C -0.134 176.173 176.300 0.011 0.000 1.273 647 D CA 0.190 54.199 54.000 0.014 0.000 1.001 647 D CB -0.410 40.401 40.800 0.018 0.000 1.411 647 D HN 0.101 nan 8.370 nan 0.000 0.577 648 D N -0.898 119.511 120.400 0.015 0.000 2.328 648 D HA 0.207 4.744 4.640 -0.171 0.000 0.226 648 D C 0.791 177.089 176.300 -0.004 0.000 1.066 648 D CA 0.260 54.275 54.000 0.024 0.000 0.861 648 D CB 0.417 41.246 40.800 0.048 0.000 0.912 648 D HN 0.397 nan 8.370 nan 0.000 0.521 649 A N 0.098 122.911 122.820 -0.012 0.000 2.340 649 A HA 0.151 4.368 4.320 -0.171 0.000 0.213 649 A C 0.454 178.034 177.584 -0.007 0.000 1.299 649 A CA -0.310 51.707 52.037 -0.034 0.000 0.994 649 A CB 0.450 19.424 19.000 -0.042 0.000 1.132 649 A HN 0.048 nan 8.150 nan 0.000 0.519 650 N N -0.062 118.648 118.700 0.017 0.000 2.249 650 N HA 0.674 5.311 4.740 -0.171 0.000 0.296 650 N C -0.892 174.648 175.510 0.049 0.000 1.051 650 N CA 0.290 53.367 53.050 0.045 0.000 0.815 650 N CB 2.272 40.798 38.487 0.064 0.000 1.487 650 N HN 0.382 nan 8.380 nan 0.000 0.475 651 A N 0.698 123.555 122.820 0.062 0.000 2.597 651 A HA 0.695 4.913 4.320 -0.171 0.000 0.292 651 A C -1.259 176.351 177.584 0.044 0.000 1.057 651 A CA -0.590 51.472 52.037 0.043 0.000 0.674 651 A CB 1.400 20.404 19.000 0.007 0.000 1.278 651 A HN 0.412 nan 8.150 nan 0.000 0.416 652 T N 0.568 115.126 114.554 0.007 0.000 2.876 652 T HA 0.828 5.075 4.350 -0.171 0.000 0.289 652 T C -0.210 174.434 174.700 -0.094 0.000 1.014 652 T CA 0.211 62.257 62.100 -0.089 0.000 0.986 652 T CB 1.719 70.555 68.868 -0.052 0.000 1.021 652 T HN 1.882 nan 8.240 nan 0.000 0.458 653 A N 1.571 124.332 122.820 -0.099 0.000 2.515 653 A HA 0.945 5.163 4.320 -0.171 0.000 0.296 653 A C -0.431 177.240 177.584 0.145 0.000 1.094 653 A CA -0.792 51.269 52.037 0.040 0.000 0.718 653 A CB 2.271 21.333 19.000 0.103 0.000 1.307 653 A HN 0.753 nan 8.150 nan 0.000 0.408 654 T N 0.533 115.178 114.554 0.152 0.000 2.868 654 T HA 0.685 4.932 4.350 -0.171 0.000 0.306 654 T C -1.543 173.315 174.700 0.264 0.000 1.224 654 T CA -0.371 61.833 62.100 0.174 0.000 1.012 654 T CB 1.191 70.022 68.868 -0.062 0.000 1.221 654 T HN 0.890 nan 8.240 nan 0.000 0.499 655 M N 3.592 123.409 119.600 0.362 0.000 2.182 655 M HA 0.318 4.696 4.480 -0.171 0.000 0.266 655 M C -1.662 174.901 176.300 0.438 0.000 0.989 655 M CA -0.626 54.903 55.300 0.381 0.000 1.003 655 M CB 1.432 34.352 32.600 0.533 0.000 1.812 655 M HN 0.589 nan 8.290 nan 0.000 0.472 656 D N 4.643 125.304 120.400 0.435 0.000 2.455 656 D HA 0.108 4.645 4.640 -0.171 0.000 0.234 656 D C -1.191 175.349 176.300 0.399 0.000 1.224 656 D CA 0.233 54.530 54.000 0.495 0.000 0.999 656 D CB -0.128 40.971 40.800 0.497 0.000 1.072 656 D HN 0.393 nan 8.370 nan 0.000 0.514 657 F N 2.543 122.654 119.950 0.268 0.000 2.412 657 F HA 0.410 4.835 4.527 -0.171 0.000 0.348 657 F C -0.097 175.815 175.800 0.188 0.000 1.102 657 F CA -0.074 58.058 58.000 0.221 0.000 1.196 657 F CB 1.143 40.304 39.000 0.267 0.000 1.144 657 F HN 0.024 nan 8.300 nan 0.000 0.541 658 T N 6.308 120.406 114.554 -0.760 0.000 2.991 658 T HA 0.222 4.469 4.350 -0.171 0.000 0.303 658 T C -0.612 173.517 174.700 -0.952 0.000 1.015 658 T CA -0.995 60.715 62.100 -0.649 0.000 1.007 658 T CB 0.971 69.698 68.868 -0.236 0.000 1.034 658 T HN 0.715 nan 8.240 nan 0.000 0.446 659 N N 2.378 120.670 118.700 -0.681 0.000 2.347 659 N HA 0.042 4.679 4.740 -0.171 0.000 0.253 659 N C 1.801 177.336 175.510 0.041 0.000 1.274 659 N CA -0.850 52.087 53.050 -0.189 0.000 0.941 659 N CB 0.444 39.034 38.487 0.172 0.000 1.200 659 N HN 0.870 nan 8.380 nan 0.000 0.514 660 W N 1.171 122.578 121.300 0.179 0.000 2.313 660 W HA -0.215 4.342 4.660 -0.171 0.000 0.293 660 W C 0.125 176.708 176.519 0.107 0.000 1.216 660 W CA 1.585 59.041 57.345 0.184 0.000 1.223 660 W CB -1.188 28.411 29.460 0.231 0.000 1.138 660 W HN 0.811 nan 8.180 nan 0.000 0.535 661 N N 0.097 118.241 118.700 -0.928 0.000 2.291 661 N HA 0.127 4.764 4.740 -0.171 0.000 0.244 661 N C -0.178 175.063 175.510 -0.449 0.000 1.216 661 N CA -0.226 52.302 53.050 -0.870 0.000 0.879 661 N CB -0.171 37.404 38.487 -1.518 0.000 1.167 661 N HN -0.138 nan 8.380 nan 0.000 0.515 662 Q N 0.520 120.142 119.800 -0.296 0.000 2.443 662 Q HA -0.163 4.075 4.340 -0.171 0.000 0.337 662 Q C 0.146 176.046 176.000 -0.167 0.000 1.401 662 Q CA 1.444 57.136 55.803 -0.186 0.000 0.943 662 Q CB -2.244 26.416 28.738 -0.129 0.000 1.177 662 Q HN 0.747 nan 8.270 nan 0.000 0.394 663 T N -3.769 110.684 114.554 -0.168 0.000 3.004 663 T HA 0.476 4.723 4.350 -0.171 0.000 0.266 663 T C 0.264 174.938 174.700 -0.043 0.000 0.986 663 T CA 0.036 62.075 62.100 -0.103 0.000 0.902 663 T CB 0.580 69.384 68.868 -0.106 0.000 1.118 663 T HN 0.319 nan 8.240 nan 0.000 0.522 664 L N 2.058 123.258 121.223 -0.038 0.000 2.445 664 L HA 0.767 5.004 4.340 -0.171 0.000 0.262 664 L C -1.208 175.662 176.870 0.000 0.000 0.974 664 L CA -0.311 54.547 54.840 0.029 0.000 0.822 664 L CB 2.392 44.531 42.059 0.132 0.000 1.339 664 L HN 0.324 nan 8.230 nan 0.000 0.409 665 T N 1.425 116.009 114.554 0.050 0.000 2.896 665 T HA 0.975 5.223 4.350 -0.171 0.000 0.297 665 T C -0.877 173.920 174.700 0.162 0.000 1.108 665 T CA -0.235 61.908 62.100 0.073 0.000 1.004 665 T CB 2.040 70.912 68.868 0.007 0.000 1.159 665 T HN 1.192 nan 8.240 nan 0.000 0.499 666 A N 1.301 124.281 122.820 0.266 0.000 2.582 666 A HA 0.584 4.801 4.320 -0.171 0.000 0.297 666 A C -1.661 176.098 177.584 0.292 0.000 1.059 666 A CA -0.877 51.272 52.037 0.187 0.000 0.705 666 A CB 0.833 19.985 19.000 0.253 0.000 1.279 666 A HN 0.933 nan 8.150 nan 0.000 0.404 667 H N 1.896 120.942 119.070 -0.040 0.000 2.820 667 H HA 0.377 4.830 4.556 -0.171 0.000 0.278 667 H C -0.338 174.957 175.328 -0.056 0.000 1.142 667 H CA 0.150 56.151 56.048 -0.079 0.000 1.346 667 H CB 0.553 30.077 29.762 -0.396 0.000 1.438 667 H HN 0.479 nan 8.280 nan 0.000 0.473 668 K N 2.169 122.638 120.400 0.116 0.000 2.213 668 K HA 0.548 4.765 4.320 -0.171 0.000 0.270 668 K C -0.306 176.009 176.600 -0.474 0.000 1.002 668 K CA -0.506 55.655 56.287 -0.211 0.000 0.868 668 K CB 1.543 33.943 32.500 -0.167 0.000 1.093 668 K HN 0.362 nan 8.250 nan 0.000 0.454 669 S N 1.704 117.003 115.700 -0.669 0.000 2.548 669 S HA 0.523 4.890 4.470 -0.171 0.000 0.286 669 S C -1.357 172.762 174.600 -0.801 0.000 1.098 669 S CA -0.943 56.925 58.200 -0.554 0.000 0.930 669 S CB 1.195 64.309 63.200 -0.142 0.000 1.070 669 S HN 0.442 nan 8.310 nan 0.000 0.480 670 W N 1.760 122.837 121.300 -0.372 0.000 2.785 670 W HA 0.499 5.057 4.660 -0.171 0.000 0.333 670 W C -1.869 174.295 176.519 -0.591 0.000 1.062 670 W CA -0.765 56.355 57.345 -0.376 0.000 1.233 670 W CB 1.313 30.597 29.460 -0.293 0.000 1.413 670 W HN 0.526 nan 8.180 nan 0.000 0.489 671 F N 2.548 122.537 119.950 0.065 0.000 2.434 671 F HA 0.373 4.797 4.527 -0.171 0.000 0.367 671 F C 0.311 176.119 175.800 0.014 0.000 1.093 671 F CA -0.766 57.274 58.000 0.067 0.000 1.085 671 F CB 0.844 39.886 39.000 0.071 0.000 1.322 671 F HN -0.049 nan 8.300 nan 0.000 0.452 672 M N 4.806 124.468 119.600 0.103 0.000 2.193 672 M HA 0.265 4.642 4.480 -0.171 0.000 0.342 672 M C -0.503 175.840 176.300 0.071 0.000 1.413 672 M CA 0.305 55.620 55.300 0.025 0.000 1.191 672 M CB 0.325 32.934 32.600 0.014 0.000 1.633 672 M HN 0.467 nan 8.290 nan 0.000 0.458 673 L N 4.717 125.979 121.223 0.066 0.000 2.679 673 L HA 0.291 4.528 4.340 -0.171 0.000 0.238 673 L C 0.909 177.800 176.870 0.036 0.000 1.330 673 L CA -0.173 54.703 54.840 0.059 0.000 0.935 673 L CB 0.016 42.112 42.059 0.063 0.000 1.243 673 L HN 0.834 nan 8.230 nan 0.000 0.484 674 K N 1.324 121.736 120.400 0.019 0.000 10.392 674 K HA -0.292 3.925 4.320 -0.171 0.000 0.519 674 K C 0.512 177.129 176.600 0.029 0.000 0.376 674 K CA 2.514 58.795 56.287 -0.009 0.000 1.951 674 K CB -0.733 31.757 32.500 -0.017 0.000 0.744 674 K HN 0.759 nan 8.250 nan 0.000 1.160 675 D N 0.972 121.438 120.400 0.110 0.000 2.571 675 D HA 0.206 4.744 4.640 -0.171 0.000 0.239 675 D C -0.242 176.214 176.300 0.260 0.000 1.267 675 D CA -0.025 54.143 54.000 0.280 0.000 0.823 675 D CB 0.241 41.144 40.800 0.171 0.000 1.056 675 D HN 0.566 nan 8.370 nan 0.000 0.494 676 K N -0.955 119.548 120.400 0.172 0.000 2.642 676 K HA 0.607 4.824 4.320 -0.171 0.000 0.290 676 K C -1.787 174.822 176.600 0.014 0.000 1.006 676 K CA -0.974 55.342 56.287 0.049 0.000 0.869 676 K CB 0.959 33.488 32.500 0.049 0.000 1.499 676 K HN -0.106 nan 8.250 nan 0.000 0.403 677 I N 1.041 121.600 120.570 -0.019 0.000 2.534 677 I HA 0.450 4.518 4.170 -0.171 0.000 0.288 677 I C -0.855 175.353 176.117 0.152 0.000 1.077 677 I CA -0.501 60.761 61.300 -0.063 0.000 1.051 677 I CB 2.116 39.837 38.000 -0.465 0.000 1.234 677 I HN 0.857 nan 8.210 nan 0.000 0.425 678 A N 5.739 128.688 122.820 0.214 0.000 2.310 678 A HA 0.819 5.036 4.320 -0.171 0.000 0.299 678 A C -1.144 176.594 177.584 0.256 0.000 1.147 678 A CA -0.132 52.115 52.037 0.350 0.000 0.818 678 A CB 0.203 19.424 19.000 0.368 0.000 1.096 678 A HN 0.462 nan 8.150 nan 0.000 0.495 679 F N 2.057 121.956 119.950 -0.085 0.000 2.403 679 F HA 0.488 4.912 4.527 -0.171 0.000 0.355 679 F C -0.117 175.645 175.800 -0.064 0.000 1.119 679 F CA -0.397 57.471 58.000 -0.219 0.000 1.007 679 F CB 1.450 40.036 39.000 -0.691 0.000 1.194 679 F HN 0.320 nan 8.300 nan 0.000 0.443 680 L N 2.870 124.136 121.223 0.072 0.000 2.346 680 L HA 0.863 5.100 4.340 -0.171 0.000 0.276 680 L C 0.103 176.664 176.870 -0.514 0.000 1.006 680 L CA -0.800 53.982 54.840 -0.096 0.000 0.817 680 L CB 2.188 44.284 42.059 0.062 0.000 1.272 680 L HN 0.725 nan 8.230 nan 0.000 0.421 681 G N 0.954 109.079 108.800 -1.124 0.000 2.687 681 G HA2 0.630 4.487 3.960 -0.171 0.000 0.301 681 G HA3 0.630 4.487 3.960 -0.171 0.000 0.301 681 G C -0.987 173.542 174.900 -0.618 0.000 1.416 681 G CA -0.246 44.149 45.100 -1.175 0.000 1.005 681 G HN 0.597 nan 8.290 nan 0.000 0.509 682 S N 0.884 116.396 115.700 -0.313 0.000 2.685 682 S HA 0.605 4.972 4.470 -0.171 0.000 0.282 682 S C 0.352 174.791 174.600 -0.269 0.000 1.159 682 S CA -0.318 57.745 58.200 -0.230 0.000 0.833 682 S CB 1.702 64.810 63.200 -0.154 0.000 1.151 682 S HN 1.277 nan 8.310 nan 0.000 0.485 683 N N -0.269 118.271 118.700 -0.266 0.000 2.747 683 N HA -0.152 4.486 4.740 -0.171 0.000 0.249 683 N C -0.990 174.374 175.510 -0.243 0.000 1.107 683 N CA 0.393 53.246 53.050 -0.329 0.000 0.707 683 N CB -1.124 36.947 38.487 -0.693 0.000 1.054 683 N HN 0.722 nan 8.380 nan 0.000 0.555 684 I N 1.678 122.143 120.570 -0.175 0.000 2.517 684 I HA 0.013 4.080 4.170 -0.171 0.000 0.285 684 I C 0.622 176.695 176.117 -0.072 0.000 1.106 684 I CA 0.656 61.882 61.300 -0.124 0.000 1.402 684 I CB 0.823 38.684 38.000 -0.232 0.000 1.399 684 I HN 0.138 nan 8.210 nan 0.000 0.535 685 Q N 5.023 124.802 119.800 -0.035 0.000 2.372 685 Q HA 0.462 4.700 4.340 -0.171 0.000 0.273 685 Q C -0.983 175.025 176.000 0.013 0.000 1.078 685 Q CA -0.988 54.804 55.803 -0.018 0.000 0.806 685 Q CB 2.697 31.411 28.738 -0.040 0.000 1.332 685 Q HN 0.491 nan 8.270 nan 0.000 0.435 686 N N -0.045 118.666 118.700 0.019 0.000 2.430 686 N HA 0.244 4.881 4.740 -0.171 0.000 0.290 686 N C -0.462 175.054 175.510 0.010 0.000 1.063 686 N CA -0.290 52.777 53.050 0.028 0.000 0.883 686 N CB 1.739 40.259 38.487 0.055 0.000 1.465 686 N HN 0.635 nan 8.380 nan 0.000 0.493 687 T N -1.004 113.548 114.554 -0.003 0.000 3.023 687 T HA 0.189 4.437 4.350 -0.171 0.000 0.253 687 T C 0.876 175.570 174.700 -0.010 0.000 1.038 687 T CA 0.128 62.221 62.100 -0.011 0.000 0.962 687 T CB -0.263 68.590 68.868 -0.025 0.000 1.018 687 T HN 0.407 nan 8.240 nan 0.000 0.521 688 S N 1.546 117.244 115.700 -0.003 0.000 2.694 688 S HA 0.390 4.757 4.470 -0.171 0.000 0.278 688 S C 1.271 175.879 174.600 0.014 0.000 1.152 688 S CA 0.136 58.337 58.200 0.001 0.000 1.010 688 S CB 1.022 64.225 63.200 0.005 0.000 1.104 688 S HN 0.353 nan 8.310 nan 0.000 0.547 689 T N -2.074 112.490 114.554 0.017 0.000 3.040 689 T HA 0.227 4.475 4.350 -0.171 0.000 0.250 689 T C -0.034 174.682 174.700 0.026 0.000 1.058 689 T CA -0.260 61.851 62.100 0.018 0.000 0.988 689 T CB -0.443 68.433 68.868 0.013 0.000 0.993 689 T HN 0.529 nan 8.240 nan 0.000 0.519 690 D N 2.707 123.130 120.400 0.038 0.000 2.362 690 D HA 0.188 4.726 4.640 -0.171 0.000 0.242 690 D C 0.024 176.355 176.300 0.052 0.000 1.132 690 D CA 0.349 54.378 54.000 0.049 0.000 0.907 690 D CB 1.014 41.861 40.800 0.079 0.000 1.195 690 D HN 0.089 nan 8.370 nan 0.000 0.429 691 T N 0.683 115.264 114.554 0.045 0.000 2.897 691 T HA 0.469 4.716 4.350 -0.171 0.000 0.294 691 T C -0.015 174.728 174.700 0.072 0.000 1.004 691 T CA -0.450 61.677 62.100 0.045 0.000 1.106 691 T CB 1.025 69.905 68.868 0.020 0.000 0.949 691 T HN 0.389 nan 8.240 nan 0.000 0.520 692 A N 1.924 124.801 122.820 0.094 0.000 2.330 692 A HA 0.894 5.111 4.320 -0.171 0.000 0.327 692 A C -0.325 177.350 177.584 0.151 0.000 1.155 692 A CA -0.660 51.469 52.037 0.153 0.000 0.803 692 A CB 0.946 20.067 19.000 0.201 0.000 1.208 692 A HN 1.143 nan 8.150 nan 0.000 0.477 693 A N 1.184 124.102 122.820 0.163 0.000 2.608 693 A HA 0.775 4.992 4.320 -0.171 0.000 0.292 693 A C -0.486 177.172 177.584 0.123 0.000 1.066 693 A CA -0.433 51.620 52.037 0.028 0.000 0.676 693 A CB 0.951 19.909 19.000 -0.070 0.000 1.277 693 A HN 0.838 nan 8.150 nan 0.000 0.413 694 T N 1.793 116.399 114.554 0.087 0.000 2.794 694 T HA 0.538 4.785 4.350 -0.171 0.000 0.280 694 T C -0.127 174.560 174.700 -0.021 0.000 0.987 694 T CA 0.021 62.176 62.100 0.091 0.000 0.993 694 T CB 1.084 69.993 68.868 0.070 0.000 0.939 694 T HN 0.571 nan 8.240 nan 0.000 0.449 695 T N 4.339 118.896 114.554 0.006 0.000 2.739 695 T HA 0.252 4.500 4.350 -0.171 0.000 0.298 695 T C 1.695 176.392 174.700 -0.004 0.000 0.929 695 T CA -0.301 61.792 62.100 -0.011 0.000 1.014 695 T CB -0.014 68.868 68.868 0.023 0.000 0.914 695 T HN 0.459 nan 8.240 nan 0.000 0.509 696 I N 1.616 122.106 120.570 -0.134 0.000 2.315 696 I HA -0.014 4.053 4.170 -0.171 0.000 0.248 696 I C 0.996 177.071 176.117 -0.071 0.000 1.117 696 I CA 1.155 62.291 61.300 -0.274 0.000 1.404 696 I CB 0.253 37.876 38.000 -0.628 0.000 1.071 696 I HN 0.530 nan 8.210 nan 0.000 0.419 697 D N -0.994 119.354 120.400 -0.088 0.000 2.728 697 D HA 0.179 4.716 4.640 -0.171 0.000 0.249 697 D C -1.406 174.882 176.300 -0.021 0.000 1.225 697 D CA -0.429 53.580 54.000 0.015 0.000 0.748 697 D CB 1.370 42.189 40.800 0.033 0.000 1.326 697 D HN -0.082 nan 8.370 nan 0.000 0.426 698 Q N 2.421 122.242 119.800 0.035 0.000 3.147 698 Q HA 0.322 4.559 4.340 -0.171 0.000 0.224 698 Q C -1.312 174.842 176.000 0.257 0.000 0.901 698 Q CA -0.614 55.261 55.803 0.120 0.000 0.729 698 Q CB 1.072 29.852 28.738 0.070 0.000 1.363 698 Q HN 0.240 nan 8.270 nan 0.000 0.467 699 R N 1.828 122.438 120.500 0.182 0.000 2.368 699 R HA 0.278 4.515 4.340 -0.171 0.000 0.302 699 R C -0.840 175.478 176.300 0.030 0.000 1.002 699 R CA -0.290 55.917 56.100 0.178 0.000 0.929 699 R CB 0.942 31.247 30.300 0.008 0.000 1.073 699 R HN 0.240 nan 8.270 nan 0.000 0.464 700 K N 4.474 124.800 120.400 -0.123 0.000 2.312 700 K HA 0.153 4.370 4.320 -0.171 0.000 0.287 700 K C -0.682 175.714 176.600 -0.339 0.000 1.062 700 K CA -0.490 55.275 56.287 -0.869 0.000 0.934 700 K CB 0.427 32.265 32.500 -1.103 0.000 1.027 700 K HN 0.286 nan 8.250 nan 0.000 0.478 701 L N 3.309 124.347 121.223 -0.308 0.000 2.456 701 L HA 0.286 4.523 4.340 -0.171 0.000 0.257 701 L C 0.178 176.964 176.870 -0.139 0.000 1.162 701 L CA 0.137 54.908 54.840 -0.115 0.000 0.808 701 L CB 0.970 42.998 42.059 -0.053 0.000 1.136 701 L HN 0.697 nan 8.230 nan 0.000 0.466 702 E N -0.654 119.474 120.200 -0.119 0.000 2.145 702 E HA 0.211 4.458 4.350 -0.171 0.000 0.270 702 E C 0.324 176.864 176.600 -0.101 0.000 0.906 702 E CA -0.158 56.173 56.400 -0.115 0.000 0.761 702 E CB 1.180 30.801 29.700 -0.132 0.000 1.116 702 E HN 0.640 nan 8.360 nan 0.000 0.408 703 S N 1.090 116.747 115.700 -0.071 0.000 2.474 703 S HA -0.192 4.176 4.470 -0.171 0.000 0.235 703 S C 1.849 176.415 174.600 -0.056 0.000 0.997 703 S CA 1.120 59.287 58.200 -0.054 0.000 0.949 703 S CB -0.118 63.061 63.200 -0.035 0.000 0.766 703 S HN 0.496 nan 8.310 nan 0.000 0.517 704 S N 2.186 117.847 115.700 -0.064 0.000 2.387 704 S HA 0.117 4.485 4.470 -0.171 0.000 0.221 704 S C 0.511 175.058 174.600 -0.089 0.000 1.041 704 S CA 0.104 58.268 58.200 -0.060 0.000 0.959 704 S CB -0.544 62.630 63.200 -0.044 0.000 0.843 704 S HN 0.422 nan 8.310 nan 0.000 0.488 705 N N 3.375 121.993 118.700 -0.137 0.000 3.112 705 N HA 0.450 5.087 4.740 -0.171 0.000 0.270 705 N C -2.869 172.455 175.510 -0.310 0.000 1.385 705 N CA -1.670 51.257 53.050 -0.205 0.000 0.986 705 N CB 1.081 39.428 38.487 -0.234 0.000 1.261 705 N HN 0.459 nan 8.380 nan 0.000 0.495 706 P HA 0.011 nan 4.420 nan 0.000 0.270 706 P C -0.718 176.449 177.300 -0.221 0.000 1.223 706 P CA 0.091 63.084 63.100 -0.177 0.000 0.785 706 P CB 0.752 32.405 31.700 -0.078 0.000 0.923 707 Y N -0.017 120.243 120.300 -0.067 0.000 2.387 707 Y HA 0.388 4.835 4.550 -0.171 0.000 0.330 707 Y C 1.162 177.014 175.900 -0.080 0.000 1.133 707 Y CA -0.217 57.836 58.100 -0.079 0.000 1.152 707 Y CB 1.609 40.005 38.460 -0.107 0.000 1.215 707 Y HN 0.200 nan 8.280 nan 0.000 0.466 708 K N 2.393 122.872 120.400 0.131 0.000 2.293 708 K HA 0.544 4.761 4.320 -0.171 0.000 0.267 708 K C -1.592 174.937 176.600 -0.118 0.000 1.010 708 K CA -0.510 55.754 56.287 -0.039 0.000 0.875 708 K CB 0.892 33.386 32.500 -0.009 0.000 1.106 708 K HN 0.472 nan 8.250 nan 0.000 0.450 709 V N 5.329 125.109 119.914 -0.224 0.000 2.432 709 V HA 0.269 4.287 4.120 -0.171 0.000 0.275 709 V C -0.858 175.053 176.094 -0.306 0.000 1.043 709 V CA -0.563 61.621 62.300 -0.194 0.000 0.925 709 V CB 0.396 32.122 31.823 -0.162 0.000 0.985 709 V HN 0.585 nan 8.190 nan 0.000 0.466 710 Y N 2.877 123.193 120.300 0.026 0.000 2.341 710 Y HA 0.631 5.078 4.550 -0.171 0.000 0.338 710 Y C -0.074 175.847 175.900 0.034 0.000 0.965 710 Y CA -0.877 57.260 58.100 0.061 0.000 1.108 710 Y CB 2.112 40.655 38.460 0.139 0.000 1.180 710 Y HN 0.358 nan 8.280 nan 0.000 0.458 711 V N 3.979 123.973 119.914 0.133 0.000 2.409 711 V HA 0.263 4.281 4.120 -0.171 0.000 0.291 711 V C -0.242 175.945 176.094 0.155 0.000 1.020 711 V CA -1.204 61.135 62.300 0.065 0.000 0.848 711 V CB 1.256 32.995 31.823 -0.140 0.000 0.990 711 V HN 0.944 nan 8.190 nan 0.000 0.430 712 N N 3.440 122.255 118.700 0.192 0.000 2.735 712 N HA -0.202 4.436 4.740 -0.171 0.000 0.248 712 N C 0.574 176.188 175.510 0.174 0.000 1.083 712 N CA 1.282 54.442 53.050 0.182 0.000 0.703 712 N CB -0.943 37.632 38.487 0.146 0.000 1.005 712 N HN 1.066 nan 8.380 nan 0.000 0.550 713 D N -1.270 119.256 120.400 0.211 0.000 3.039 713 D HA -0.233 4.305 4.640 -0.171 0.000 0.222 713 D C -0.047 176.403 176.300 0.250 0.000 1.179 713 D CA 1.929 56.032 54.000 0.172 0.000 0.880 713 D CB -0.482 40.355 40.800 0.062 0.000 1.115 713 D HN 0.759 nan 8.370 nan 0.000 0.416 714 K N 0.640 121.207 120.400 0.278 0.000 2.292 714 K HA 0.352 4.569 4.320 -0.171 0.000 0.257 714 K C -0.264 176.465 176.600 0.215 0.000 0.940 714 K CA -0.840 55.591 56.287 0.239 0.000 0.811 714 K CB 1.172 33.760 32.500 0.148 0.000 1.120 714 K HN 0.071 nan 8.250 nan 0.000 0.428 715 E N 3.003 123.289 120.200 0.142 0.000 2.529 715 E HA 0.074 4.321 4.350 -0.171 0.000 0.259 715 E C -1.430 175.125 176.600 -0.075 0.000 0.966 715 E CA 0.272 56.580 56.400 -0.153 0.000 0.937 715 E CB 0.689 30.308 29.700 -0.136 0.000 0.923 715 E HN 0.591 nan 8.360 nan 0.000 0.468 716 A N 3.834 126.574 122.820 -0.133 0.000 2.401 716 A HA 0.610 4.827 4.320 -0.171 0.000 0.310 716 A C -1.009 176.545 177.584 -0.050 0.000 1.075 716 A CA -0.737 51.280 52.037 -0.034 0.000 0.746 716 A CB 1.826 20.807 19.000 -0.033 0.000 1.277 716 A HN 0.621 nan 8.150 nan 0.000 0.425 717 S N 1.945 117.652 115.700 0.012 0.000 2.498 717 S HA 0.564 4.931 4.470 -0.171 0.000 0.324 717 S C -0.352 174.269 174.600 0.034 0.000 1.071 717 S CA -0.500 57.701 58.200 0.002 0.000 1.113 717 S CB 0.405 63.606 63.200 0.003 0.000 0.976 717 S HN 0.552 nan 8.310 nan 0.000 0.462 718 L N 3.372 124.603 121.223 0.013 0.000 2.375 718 L HA 0.568 4.805 4.340 -0.171 0.000 0.271 718 L C 0.838 177.720 176.870 0.020 0.000 1.107 718 L CA -0.383 54.474 54.840 0.029 0.000 0.806 718 L CB 1.169 43.226 42.059 -0.003 0.000 1.146 718 L HN 0.728 nan 8.230 nan 0.000 0.447 719 T N -3.081 111.488 114.554 0.025 0.000 2.888 719 T HA 0.198 4.445 4.350 -0.171 0.000 0.288 719 T C 0.576 175.281 174.700 0.008 0.000 1.063 719 T CA -0.764 61.343 62.100 0.012 0.000 1.010 719 T CB 1.929 70.801 68.868 0.006 0.000 1.214 719 T HN 0.706 nan 8.240 nan 0.000 0.533 720 E N 0.104 120.305 120.200 0.002 0.000 2.150 720 E HA -0.112 4.136 4.350 -0.171 0.000 0.193 720 E C 0.081 176.678 176.600 -0.006 0.000 0.985 720 E CA 0.692 57.091 56.400 -0.001 0.000 0.814 720 E CB -0.025 29.672 29.700 -0.004 0.000 0.752 720 E HN 0.636 nan 8.360 nan 0.000 0.466 721 Q N 1.497 121.292 119.800 -0.008 0.000 2.332 721 Q HA 0.133 4.371 4.340 -0.171 0.000 0.263 721 Q C -0.866 175.128 176.000 -0.010 0.000 0.979 721 Q CA 0.088 55.883 55.803 -0.014 0.000 0.885 721 Q CB 1.170 29.897 28.738 -0.019 0.000 1.218 721 Q HN 0.100 nan 8.270 nan 0.000 0.405 722 E N 2.306 122.496 120.200 -0.017 0.000 2.328 722 E HA -0.024 4.223 4.350 -0.171 0.000 0.265 722 E C -0.643 175.945 176.600 -0.020 0.000 1.057 722 E CA 0.106 56.500 56.400 -0.011 0.000 0.916 722 E CB 0.465 30.150 29.700 -0.024 0.000 0.993 722 E HN 0.204 nan 8.360 nan 0.000 0.446 723 K N 3.282 123.691 120.400 0.015 0.000 2.156 723 K HA 0.209 4.426 4.320 -0.171 0.000 0.271 723 K C -0.985 175.543 176.600 -0.121 0.000 0.995 723 K CA -0.619 55.625 56.287 -0.072 0.000 0.890 723 K CB 1.238 33.735 32.500 -0.004 0.000 1.073 723 K HN 0.469 nan 8.250 nan 0.000 0.454 724 D N 1.134 121.347 120.400 -0.312 0.000 2.168 724 D HA 0.244 4.781 4.640 -0.171 0.000 0.246 724 D C -1.233 174.768 176.300 -0.497 0.000 1.050 724 D CA -0.124 53.730 54.000 -0.243 0.000 0.857 724 D CB 0.669 41.371 40.800 -0.163 0.000 1.169 724 D HN 0.241 nan 8.370 nan 0.000 0.453 725 Y N 2.581 122.828 120.300 -0.088 0.000 2.646 725 Y HA 0.308 4.755 4.550 -0.171 0.000 0.334 725 Y C -2.242 173.596 175.900 -0.103 0.000 1.004 725 Y CA -2.238 55.813 58.100 -0.082 0.000 1.301 725 Y CB 1.163 39.574 38.460 -0.081 0.000 1.093 725 Y HN 0.229 nan 8.280 nan 0.000 0.530 726 P HA 0.151 nan 4.420 nan 0.000 0.278 726 P C -0.208 177.087 177.300 -0.007 0.000 1.266 726 P CA -0.235 62.849 63.100 -0.027 0.000 0.807 726 P CB 1.045 32.722 31.700 -0.038 0.000 1.094 727 E N -2.607 117.579 120.200 -0.023 0.000 2.539 727 E HA -0.143 4.105 4.350 -0.171 0.000 0.253 727 E C -0.522 176.083 176.600 0.009 0.000 1.145 727 E CA 0.962 57.361 56.400 -0.002 0.000 0.738 727 E CB -2.974 26.736 29.700 0.018 0.000 1.308 727 E HN 0.401 nan 8.360 nan 0.000 0.409 728 T N 0.405 114.930 114.554 -0.047 0.000 2.761 728 T HA 0.231 4.478 4.350 -0.171 0.000 0.296 728 T C 1.349 176.059 174.700 0.015 0.000 0.934 728 T CA 0.002 62.080 62.100 -0.037 0.000 1.091 728 T CB 1.265 70.031 68.868 -0.170 0.000 0.896 728 T HN 0.174 nan 8.240 nan 0.000 0.515 729 Q N 2.773 122.677 119.800 0.173 0.000 2.396 729 Q HA 0.183 4.420 4.340 -0.171 0.000 0.220 729 Q C 0.496 176.787 176.000 0.486 0.000 0.900 729 Q CA 0.164 56.140 55.803 0.288 0.000 0.925 729 Q CB 0.573 29.462 28.738 0.252 0.000 1.065 729 Q HN 0.743 nan 8.270 nan 0.000 0.535 730 S N -2.077 113.904 115.700 0.468 0.000 2.565 730 S HA 0.705 5.072 4.470 -0.171 0.000 0.269 730 S C -1.404 173.456 174.600 0.435 0.000 1.153 730 S CA -0.850 57.677 58.200 0.546 0.000 0.835 730 S CB 1.625 65.173 63.200 0.580 0.000 1.122 730 S HN -0.076 nan 8.310 nan 0.000 0.462 731 V N 2.236 122.403 119.914 0.421 0.000 2.686 731 V HA 0.746 4.763 4.120 -0.171 0.000 0.306 731 V C -1.586 174.629 176.094 0.201 0.000 1.065 731 V CA -0.536 61.915 62.300 0.252 0.000 0.894 731 V CB 1.689 33.597 31.823 0.142 0.000 1.004 731 V HN 0.918 nan 8.190 nan 0.000 0.424 732 F N 5.139 125.054 119.950 -0.058 0.000 2.539 732 F HA 0.684 5.108 4.527 -0.171 0.000 0.318 732 F C -0.894 174.857 175.800 -0.081 0.000 1.135 732 F CA -0.770 57.075 58.000 -0.258 0.000 0.915 732 F CB 1.631 40.393 39.000 -0.396 0.000 1.176 732 F HN 0.297 nan 8.300 nan 0.000 0.440 733 L N 5.513 126.199 121.223 -0.894 0.000 2.262 733 L HA 0.427 4.664 4.340 -0.171 0.000 0.288 733 L C -0.394 176.060 176.870 -0.694 0.000 1.035 733 L CA -0.474 53.942 54.840 -0.706 0.000 0.820 733 L CB 1.423 42.863 42.059 -1.031 0.000 1.204 733 L HN 0.620 nan 8.230 nan 0.000 0.424 734 E N 2.742 122.902 120.200 -0.067 0.000 2.133 734 E HA 0.346 4.594 4.350 -0.171 0.000 0.274 734 E C -0.955 175.783 176.600 0.229 0.000 0.930 734 E CA -0.175 56.321 56.400 0.161 0.000 0.770 734 E CB 1.787 31.787 29.700 0.499 0.000 1.104 734 E HN 0.540 nan 8.360 nan 0.000 0.403 735 S N 1.975 117.745 115.700 0.118 0.000 2.704 735 S HA 0.226 4.593 4.470 -0.171 0.000 0.305 735 S C 1.000 175.600 174.600 -0.000 0.000 1.107 735 S CA -0.043 58.119 58.200 -0.063 0.000 0.993 735 S CB 1.432 64.510 63.200 -0.203 0.000 1.110 735 S HN 0.590 nan 8.310 nan 0.000 0.534 736 S N 0.725 116.401 115.700 -0.039 0.000 2.489 736 S HA 0.051 4.418 4.470 -0.171 0.000 0.228 736 S C 0.215 174.817 174.600 0.003 0.000 0.995 736 S CA 0.420 58.617 58.200 -0.004 0.000 0.934 736 S CB -0.282 62.907 63.200 -0.019 0.000 0.771 736 S HN 0.695 nan 8.310 nan 0.000 0.522 737 D N 1.865 122.257 120.400 -0.014 0.000 2.392 737 D HA 0.350 4.887 4.640 -0.171 0.000 0.228 737 D C 1.150 177.465 176.300 0.026 0.000 1.074 737 D CA 0.014 54.017 54.000 0.005 0.000 0.838 737 D CB 1.831 42.625 40.800 -0.010 0.000 1.067 737 D HN 0.174 nan 8.370 nan 0.000 0.511 738 S N 3.812 119.543 115.700 0.051 0.000 2.419 738 S HA -0.206 4.161 4.470 -0.171 0.000 0.235 738 S C 1.494 176.136 174.600 0.069 0.000 1.019 738 S CA 0.810 59.054 58.200 0.074 0.000 0.982 738 S CB -0.037 63.211 63.200 0.081 0.000 0.789 738 S HN 0.245 nan 8.310 nan 0.000 0.490 739 K N 1.137 121.576 120.400 0.064 0.000 2.632 739 K HA 0.251 4.468 4.320 -0.171 0.000 0.196 739 K C 1.073 177.712 176.600 0.065 0.000 1.023 739 K CA 0.427 56.762 56.287 0.080 0.000 1.098 739 K CB -0.098 32.456 32.500 0.090 0.000 0.862 739 K HN 0.514 nan 8.250 nan 0.000 0.504 740 K N -0.842 119.583 120.400 0.042 0.000 2.517 740 K HA 0.166 4.383 4.320 -0.171 0.000 0.210 740 K C -0.433 176.221 176.600 0.091 0.000 1.166 740 K CA -0.259 56.054 56.287 0.044 0.000 1.030 740 K CB 0.618 33.105 32.500 -0.021 0.000 0.974 740 K HN -0.011 nan 8.250 nan 0.000 0.585 741 N N 1.491 120.203 118.700 0.020 0.000 2.508 741 N HA 0.236 4.873 4.740 -0.171 0.000 0.264 741 N C -0.584 174.754 175.510 -0.287 0.000 1.216 741 N CA 0.382 53.355 53.050 -0.129 0.000 0.943 741 N CB 0.695 39.140 38.487 -0.069 0.000 1.113 741 N HN 0.047 nan 8.380 nan 0.000 0.447 742 I N -0.038 120.184 120.570 -0.580 0.000 2.548 742 I HA 0.421 4.488 4.170 -0.171 0.000 0.287 742 I C 0.384 175.997 176.117 -0.840 0.000 1.103 742 I CA -0.821 60.114 61.300 -0.608 0.000 1.049 742 I CB 2.241 39.920 38.000 -0.535 0.000 1.232 742 I HN 0.381 nan 8.210 nan 0.000 0.429 743 G N 4.464 112.848 108.800 -0.693 0.000 2.453 743 G HA2 0.740 4.597 3.960 -0.171 0.000 0.323 743 G HA3 0.740 4.597 3.960 -0.171 0.000 0.323 743 G C -1.805 172.763 174.900 -0.553 0.000 1.198 743 G CA -0.419 44.287 45.100 -0.657 0.000 0.959 743 G HN 0.411 nan 8.290 nan 0.000 0.482 744 Y N 0.399 120.700 120.300 0.002 0.000 2.327 744 Y HA 0.420 4.867 4.550 -0.171 0.000 0.325 744 Y C -0.885 174.986 175.900 -0.048 0.000 0.999 744 Y CA -1.145 56.871 58.100 -0.140 0.000 1.195 744 Y CB 2.043 40.227 38.460 -0.460 0.000 1.132 744 Y HN 0.514 nan 8.280 nan 0.000 0.455 745 F N 4.867 124.732 119.950 -0.141 0.000 2.388 745 F HA 0.625 5.049 4.527 -0.171 0.000 0.358 745 F C -1.484 174.010 175.800 -0.509 0.000 1.122 745 F CA -2.192 55.681 58.000 -0.212 0.000 1.056 745 F CB 0.277 39.121 39.000 -0.261 0.000 1.155 745 F HN 0.281 nan 8.300 nan 0.000 0.461 746 F N 7.751 127.364 119.950 -0.562 0.000 2.390 746 F HA 0.261 4.686 4.527 -0.171 0.000 0.361 746 F C 0.671 175.920 175.800 -0.918 0.000 1.124 746 F CA -0.425 57.233 58.000 -0.571 0.000 1.149 746 F CB 0.282 39.181 39.000 -0.170 0.000 1.160 746 F HN 0.464 nan 8.300 nan 0.000 0.501 747 F N 1.081 120.699 119.950 -0.554 0.000 2.184 747 F HA -0.180 4.244 4.527 -0.171 0.000 0.301 747 F C 1.030 176.741 175.800 -0.148 0.000 1.076 747 F CA 1.272 59.002 58.000 -0.450 0.000 1.295 747 F CB -0.536 38.356 39.000 -0.181 0.000 1.026 747 F HN 0.199 nan 8.300 nan 0.000 0.494 748 K N -0.206 120.270 120.400 0.127 0.000 2.427 748 K HA 0.313 4.531 4.320 -0.171 0.000 0.252 748 K C -0.541 176.118 176.600 0.099 0.000 0.931 748 K CA -1.149 55.209 56.287 0.119 0.000 0.793 748 K CB 1.968 34.541 32.500 0.122 0.000 1.211 748 K HN -0.246 nan 8.250 nan 0.000 0.426 749 K N 1.540 121.986 120.400 0.076 0.000 2.473 749 K HA 0.006 4.223 4.320 -0.171 0.000 0.277 749 K C -0.464 176.123 176.600 -0.021 0.000 1.052 749 K CA 0.472 56.780 56.287 0.034 0.000 1.114 749 K CB 0.031 32.555 32.500 0.040 0.000 0.869 749 K HN 0.446 nan 8.250 nan 0.000 0.481 750 S N 1.052 116.666 115.700 -0.144 0.000 2.638 750 S HA 0.437 4.804 4.470 -0.171 0.000 0.302 750 S C -0.599 173.856 174.600 -0.243 0.000 1.096 750 S CA -1.203 56.881 58.200 -0.194 0.000 0.953 750 S CB 1.882 64.916 63.200 -0.276 0.000 1.107 750 S HN 0.373 nan 8.310 nan 0.000 0.503 751 S N 1.717 117.316 115.700 -0.168 0.000 2.404 751 S HA 0.527 4.894 4.470 -0.171 0.000 0.309 751 S C 0.044 174.536 174.600 -0.179 0.000 1.076 751 S CA -0.656 57.460 58.200 -0.139 0.000 1.095 751 S CB -0.777 62.373 63.200 -0.084 0.000 0.972 751 S HN 0.593 nan 8.310 nan 0.000 0.484 752 I N 0.441 120.899 120.570 -0.187 0.000 3.067 752 I HA 0.914 4.981 4.170 -0.171 0.000 0.312 752 I C -0.201 175.895 176.117 -0.036 0.000 1.073 752 I CA -0.873 60.318 61.300 -0.183 0.000 1.016 752 I CB 2.266 40.074 38.000 -0.320 0.000 1.227 752 I HN 0.461 nan 8.210 nan 0.000 0.456 753 S N 3.921 119.600 115.700 -0.036 0.000 2.548 753 S HA 0.841 5.209 4.470 -0.171 0.000 0.286 753 S C -0.873 173.740 174.600 0.022 0.000 1.098 753 S CA -0.800 57.430 58.200 0.051 0.000 0.930 753 S CB 1.623 64.815 63.200 -0.013 0.000 1.070 753 S HN 0.754 nan 8.310 nan 0.000 0.480 754 M N 2.319 121.979 119.600 0.101 0.000 2.593 754 M HA 0.678 5.055 4.480 -0.171 0.000 0.290 754 M C -1.060 175.262 176.300 0.037 0.000 1.244 754 M CA -0.658 54.645 55.300 0.005 0.000 0.857 754 M CB 2.664 35.206 32.600 -0.098 0.000 1.738 754 M HN 0.970 nan 8.290 nan 0.000 0.461 755 S N 0.657 116.353 115.700 -0.006 0.000 2.552 755 S HA 0.640 5.008 4.470 -0.171 0.000 0.272 755 S C -1.610 172.990 174.600 -0.001 0.000 1.150 755 S CA -1.070 57.133 58.200 0.005 0.000 0.849 755 S CB 2.465 65.665 63.200 -0.000 0.000 1.113 755 S HN 0.781 nan 8.310 nan 0.000 0.458 756 K N 0.949 121.354 120.400 0.009 0.000 2.426 756 K HA 0.794 5.012 4.320 -0.171 0.000 0.254 756 K C -1.126 175.489 176.600 0.026 0.000 0.936 756 K CA -0.557 55.742 56.287 0.020 0.000 0.801 756 K CB 1.557 34.064 32.500 0.011 0.000 1.139 756 K HN 1.142 nan 8.250 nan 0.000 0.424 757 A N 4.074 126.922 122.820 0.047 0.000 2.594 757 A HA 0.397 4.614 4.320 -0.171 0.000 0.295 757 A C -1.797 175.827 177.584 0.066 0.000 1.071 757 A CA -0.857 51.203 52.037 0.038 0.000 0.685 757 A CB 1.319 20.328 19.000 0.016 0.000 1.285 757 A HN 0.713 nan 8.150 nan 0.000 0.405 758 L N 1.498 122.747 121.223 0.043 0.000 2.319 758 L HA 0.364 4.602 4.340 -0.171 0.000 0.280 758 L C -0.527 176.366 176.870 0.038 0.000 1.099 758 L CA 0.126 54.997 54.840 0.051 0.000 0.828 758 L CB 0.882 42.956 42.059 0.025 0.000 1.150 758 L HN 0.834 nan 8.230 nan 0.000 0.442 759 Q N 5.551 125.388 119.800 0.063 0.000 2.330 759 Q HA 0.445 4.682 4.340 -0.171 0.000 0.269 759 Q C -1.192 174.795 176.000 -0.022 0.000 1.022 759 Q CA -0.820 54.972 55.803 -0.018 0.000 0.796 759 Q CB 2.788 31.450 28.738 -0.127 0.000 1.271 759 Q HN 0.511 nan 8.270 nan 0.000 0.450 760 K N 0.847 121.218 120.400 -0.048 0.000 2.221 760 K HA 0.885 5.102 4.320 -0.171 0.000 0.243 760 K C -0.194 176.356 176.600 -0.083 0.000 0.968 760 K CA -0.880 55.378 56.287 -0.048 0.000 0.846 760 K CB 2.054 34.537 32.500 -0.027 0.000 1.141 760 K HN 0.782 nan 8.250 nan 0.000 0.434 761 G N -0.562 108.185 108.800 -0.089 0.000 2.441 761 G HA2 0.559 4.416 3.960 -0.171 0.000 0.294 761 G HA3 0.559 4.416 3.960 -0.171 0.000 0.294 761 G C -2.009 172.823 174.900 -0.112 0.000 1.393 761 G CA -0.514 44.516 45.100 -0.117 0.000 0.796 761 G HN 0.660 nan 8.290 nan 0.000 0.494 762 A N -1.409 121.344 122.820 -0.112 0.000 2.469 762 A HA 0.693 4.910 4.320 -0.171 0.000 0.299 762 A C -0.037 177.505 177.584 -0.071 0.000 1.098 762 A CA -0.650 51.360 52.037 -0.045 0.000 0.737 762 A CB 0.957 19.974 19.000 0.028 0.000 1.312 762 A HN 0.857 nan 8.150 nan 0.000 0.414 763 W N 0.405 121.710 121.300 0.008 0.000 2.467 763 W HA 0.022 4.580 4.660 -0.170 0.000 0.275 763 W C 2.040 178.551 176.519 -0.012 0.000 1.239 763 W CA 1.301 58.650 57.345 0.007 0.000 1.266 763 W CB 0.293 29.765 29.460 0.020 0.000 1.112 763 W HN 0.780 nan 8.180 nan 0.000 0.576 764 K N 0.538 121.055 120.400 0.195 0.000 2.209 764 K HA -0.187 4.030 4.320 -0.171 0.000 0.204 764 K C 1.093 177.721 176.600 0.047 0.000 1.048 764 K CA 1.670 58.021 56.287 0.107 0.000 0.940 764 K CB -0.171 32.376 32.500 0.078 0.000 0.729 764 K HN 0.016 nan 8.250 nan 0.000 0.451 765 D N 0.444 120.852 120.400 0.012 0.000 2.182 765 D HA -0.169 4.368 4.640 -0.171 0.000 0.201 765 D C 1.590 177.841 176.300 -0.081 0.000 0.986 765 D CA 1.313 55.288 54.000 -0.040 0.000 0.847 765 D CB 0.019 40.772 40.800 -0.077 0.000 0.942 765 D HN 0.537 nan 8.370 nan 0.000 0.467 766 I N -4.322 116.207 120.570 -0.069 0.000 4.139 766 I HA 0.262 4.329 4.170 -0.171 0.000 0.335 766 I C 0.082 176.173 176.117 -0.044 0.000 1.327 766 I CA -0.273 60.955 61.300 -0.119 0.000 1.112 766 I CB 0.501 38.407 38.000 -0.155 0.000 1.058 766 I HN -0.249 nan 8.210 nan 0.000 0.396 767 N N 1.894 120.615 118.700 0.034 0.000 2.629 767 N HA 0.058 4.696 4.740 -0.171 0.000 0.277 767 N C 0.376 175.923 175.510 0.061 0.000 1.188 767 N CA -0.023 53.061 53.050 0.057 0.000 0.835 767 N CB 1.600 40.142 38.487 0.092 0.000 1.420 767 N HN 0.057 nan 8.380 nan 0.000 0.542 768 E N 2.528 122.758 120.200 0.050 0.000 2.169 768 E HA -0.110 4.137 4.350 -0.171 0.000 0.202 768 E C 1.521 178.146 176.600 0.042 0.000 1.016 768 E CA 2.192 58.620 56.400 0.047 0.000 0.817 768 E CB -0.339 29.391 29.700 0.051 0.000 0.736 768 E HN 0.748 nan 8.360 nan 0.000 0.462 769 G N -0.270 108.550 108.800 0.033 0.000 2.848 769 G HA2 -0.099 3.758 3.960 -0.171 0.000 0.208 769 G HA3 -0.099 3.758 3.960 -0.171 0.000 0.208 769 G C 0.580 175.491 174.900 0.019 0.000 1.152 769 G CA -0.131 44.980 45.100 0.020 0.000 0.789 769 G HN 0.091 nan 8.290 nan 0.000 0.531 770 Q N 0.054 119.881 119.800 0.045 0.000 2.222 770 Q HA 0.341 4.578 4.340 -0.171 0.000 0.211 770 Q C 0.188 176.234 176.000 0.075 0.000 1.013 770 Q CA -0.376 55.461 55.803 0.057 0.000 0.993 770 Q CB 0.919 29.748 28.738 0.151 0.000 1.151 770 Q HN 0.119 nan 8.270 nan 0.000 0.544 771 S N 0.727 116.480 115.700 0.087 0.000 2.565 771 S HA 0.014 4.381 4.470 -0.171 0.000 0.276 771 S C 0.540 175.219 174.600 0.132 0.000 1.326 771 S CA -0.489 57.766 58.200 0.091 0.000 1.045 771 S CB 0.315 63.559 63.200 0.074 0.000 0.918 771 S HN 0.521 nan 8.310 nan 0.000 0.505 772 D N 3.062 123.513 120.400 0.086 0.000 2.355 772 D HA -0.010 4.527 4.640 -0.171 0.000 0.218 772 D C -0.010 176.335 176.300 0.075 0.000 1.004 772 D CA 0.141 54.184 54.000 0.073 0.000 0.880 772 D CB -0.172 40.655 40.800 0.045 0.000 0.911 772 D HN 0.355 nan 8.370 nan 0.000 0.528 773 K N 1.591 122.045 120.400 0.090 0.000 2.511 773 K HA -0.022 4.195 4.320 -0.171 0.000 0.280 773 K C 0.589 177.245 176.600 0.094 0.000 1.008 773 K CA 0.120 56.459 56.287 0.086 0.000 1.050 773 K CB 0.652 33.209 32.500 0.094 0.000 0.889 773 K HN 0.059 nan 8.250 nan 0.000 0.484 774 E N 2.718 122.954 120.200 0.060 0.000 2.360 774 E HA 0.075 4.322 4.350 -0.171 0.000 0.269 774 E C -0.878 175.752 176.600 0.050 0.000 1.022 774 E CA -0.214 56.210 56.400 0.041 0.000 0.887 774 E CB 0.729 30.442 29.700 0.023 0.000 0.990 774 E HN 0.212 nan 8.360 nan 0.000 0.426 775 V N 3.594 123.523 119.914 0.024 0.000 2.960 775 V HA 0.490 4.507 4.120 -0.171 0.000 0.315 775 V C -0.353 175.739 176.094 -0.003 0.000 1.087 775 V CA -0.705 61.612 62.300 0.028 0.000 0.982 775 V CB 1.906 33.735 31.823 0.010 0.000 1.039 775 V HN 0.815 nan 8.190 nan 0.000 0.437 776 E N 1.798 122.007 120.200 0.016 0.000 2.392 776 E HA 0.596 4.844 4.350 -0.171 0.000 0.279 776 E C -1.877 174.744 176.600 0.034 0.000 0.964 776 E CA -1.006 55.405 56.400 0.018 0.000 0.777 776 E CB 2.574 32.284 29.700 0.016 0.000 1.249 776 E HN 0.552 nan 8.360 nan 0.000 0.449 777 N N 0.783 119.527 118.700 0.072 0.000 2.591 777 N HA 0.209 4.847 4.740 -0.171 0.000 0.263 777 N C -1.448 174.118 175.510 0.093 0.000 1.308 777 N CA -0.642 52.428 53.050 0.033 0.000 0.837 777 N CB 2.255 40.731 38.487 -0.017 0.000 1.548 777 N HN 0.506 nan 8.380 nan 0.000 0.493 778 E N 0.678 120.854 120.200 -0.041 0.000 2.231 778 E HA 0.479 4.726 4.350 -0.171 0.000 0.277 778 E C -0.979 175.562 176.600 -0.099 0.000 0.999 778 E CA -0.215 56.198 56.400 0.022 0.000 0.827 778 E CB 1.399 31.089 29.700 -0.017 0.000 1.101 778 E HN 0.294 nan 8.360 nan 0.000 0.393 779 F N 1.213 121.137 119.950 -0.043 0.000 2.576 779 F HA 0.388 4.812 4.527 -0.171 0.000 0.313 779 F C -0.259 175.520 175.800 -0.036 0.000 1.078 779 F CA -0.752 57.224 58.000 -0.039 0.000 0.921 779 F CB 1.433 40.391 39.000 -0.070 0.000 1.232 779 F HN 0.211 nan 8.300 nan 0.000 0.459 780 L N 2.557 123.854 121.223 0.123 0.000 2.280 780 L HA 0.601 4.838 4.340 -0.171 0.000 0.287 780 L C -0.843 176.037 176.870 0.016 0.000 1.023 780 L CA -0.014 54.843 54.840 0.029 0.000 0.819 780 L CB 0.972 43.003 42.059 -0.046 0.000 1.212 780 L HN 0.636 nan 8.230 nan 0.000 0.420 781 T N 5.978 120.525 114.554 -0.010 0.000 2.779 781 T HA 0.586 4.833 4.350 -0.171 0.000 0.280 781 T C -0.263 174.377 174.700 -0.101 0.000 0.987 781 T CA -0.253 61.822 62.100 -0.042 0.000 0.966 781 T CB 1.238 70.088 68.868 -0.029 0.000 0.933 781 T HN 0.346 nan 8.240 nan 0.000 0.442 782 I N 2.852 123.329 120.570 -0.155 0.000 2.509 782 I HA 0.655 4.722 4.170 -0.171 0.000 0.293 782 I C 0.050 176.053 176.117 -0.190 0.000 1.020 782 I CA -0.644 60.524 61.300 -0.219 0.000 1.088 782 I CB 2.017 39.780 38.000 -0.395 0.000 1.267 782 I HN 0.738 nan 8.210 nan 0.000 0.430 783 S N 5.005 120.605 115.700 -0.166 0.000 2.570 783 S HA 0.518 4.885 4.470 -0.171 0.000 0.270 783 S C -1.410 173.090 174.600 -0.165 0.000 1.149 783 S CA -0.785 57.326 58.200 -0.148 0.000 0.837 783 S CB 2.347 65.486 63.200 -0.102 0.000 1.124 783 S HN 0.682 nan 8.310 nan 0.000 0.465 784 Q N 1.212 120.901 119.800 -0.185 0.000 2.310 784 Q HA 0.685 4.923 4.340 -0.171 0.000 0.270 784 Q C -0.775 174.973 176.000 -0.421 0.000 1.025 784 Q CA -0.862 54.798 55.803 -0.238 0.000 0.772 784 Q CB 1.863 30.507 28.738 -0.158 0.000 1.253 784 Q HN 1.101 nan 8.270 nan 0.000 0.450 785 A N 3.600 126.215 122.820 -0.342 0.000 2.340 785 A HA 0.435 4.652 4.320 -0.171 0.000 0.268 785 A C -0.995 176.333 177.584 -0.425 0.000 1.100 785 A CA -0.343 51.486 52.037 -0.347 0.000 0.803 785 A CB 0.417 19.328 19.000 -0.149 0.000 1.043 785 A HN 0.822 nan 8.150 nan 0.000 0.488 786 H N 2.119 121.219 119.070 0.050 0.000 2.736 786 H HA 0.239 4.693 4.556 -0.171 0.000 0.271 786 H C -0.462 174.890 175.328 0.040 0.000 1.184 786 H CA -0.414 55.669 56.048 0.059 0.000 1.378 786 H CB 0.838 30.654 29.762 0.089 0.000 1.428 786 H HN 0.737 nan 8.280 nan 0.000 0.500 787 K N 1.829 122.291 120.400 0.103 0.000 2.500 787 K HA 0.183 4.400 4.320 -0.171 0.000 0.206 787 K C 0.118 176.753 176.600 0.058 0.000 1.034 787 K CA 0.090 56.415 56.287 0.064 0.000 1.179 787 K CB 0.808 33.325 32.500 0.028 0.000 0.884 787 K HN 0.469 nan 8.250 nan 0.000 0.493 788 Q N 0.200 120.045 119.800 0.075 0.000 2.435 788 Q HA 0.230 4.468 4.340 -0.171 0.000 0.282 788 Q C -1.366 174.658 176.000 0.040 0.000 1.020 788 Q CA -0.783 55.049 55.803 0.047 0.000 0.820 788 Q CB 2.046 30.807 28.738 0.039 0.000 1.436 788 Q HN 0.145 nan 8.270 nan 0.000 0.395 789 N N -0.346 118.364 118.700 0.017 0.000 2.530 789 N HA 0.386 5.023 4.740 -0.171 0.000 0.273 789 N C 0.326 175.826 175.510 -0.015 0.000 1.173 789 N CA 0.936 53.985 53.050 -0.003 0.000 0.967 789 N CB 0.721 39.202 38.487 -0.011 0.000 1.109 789 N HN 0.816 nan 8.380 nan 0.000 0.453 790 G N 0.771 109.546 108.800 -0.040 0.000 2.171 790 G HA2 -0.214 3.644 3.960 -0.171 0.000 0.238 790 G HA3 -0.214 3.644 3.960 -0.171 0.000 0.238 790 G C -0.526 174.351 174.900 -0.039 0.000 1.039 790 G CA -0.414 44.652 45.100 -0.055 0.000 0.759 790 G HN 0.548 nan 8.290 nan 0.000 0.501 791 D N 0.117 120.497 120.400 -0.034 0.000 2.466 791 D HA 0.814 5.352 4.640 -0.171 0.000 0.262 791 D C 0.828 177.098 176.300 -0.049 0.000 1.177 791 D CA 0.682 54.686 54.000 0.007 0.000 1.035 791 D CB 1.491 42.343 40.800 0.086 0.000 1.105 791 D HN 0.811 nan 8.370 nan 0.000 0.551 792 S N -1.032 114.684 115.700 0.026 0.000 2.636 792 S HA 0.673 5.040 4.470 -0.171 0.000 0.268 792 S C -1.631 173.088 174.600 0.198 0.000 1.159 792 S CA -1.018 57.167 58.200 -0.025 0.000 0.815 792 S CB 1.212 64.374 63.200 -0.063 0.000 1.130 792 S HN 0.506 nan 8.310 nan 0.000 0.471 793 Y N -1.971 118.437 120.300 0.181 0.000 2.571 793 Y HA 0.911 5.358 4.550 -0.171 0.000 0.341 793 Y C -0.491 175.574 175.900 0.276 0.000 1.076 793 Y CA -0.757 57.522 58.100 0.298 0.000 1.029 793 Y CB 1.260 39.971 38.460 0.419 0.000 1.308 793 Y HN 1.332 nan 8.280 nan 0.000 0.461 794 G N 2.044 111.211 108.800 0.612 0.000 2.413 794 G HA2 0.511 4.369 3.960 -0.171 0.000 0.285 794 G HA3 0.511 4.369 3.960 -0.171 0.000 0.285 794 G C -2.284 172.911 174.900 0.491 0.000 1.337 794 G CA -0.728 44.686 45.100 0.524 0.000 1.324 794 G HN 1.134 nan 8.290 nan 0.000 0.611 795 Y N -0.026 120.393 120.300 0.198 0.000 2.571 795 Y HA 0.853 5.300 4.550 -0.171 0.000 0.341 795 Y C -0.875 174.847 175.900 -0.296 0.000 1.076 795 Y CA -2.138 55.688 58.100 -0.456 0.000 1.029 795 Y CB 2.034 40.127 38.460 -0.612 0.000 1.308 795 Y HN 0.503 nan 8.280 nan 0.000 0.461 796 M N 3.810 123.173 119.600 -0.395 0.000 2.205 796 M HA 0.556 4.933 4.480 -0.171 0.000 0.344 796 M C -1.998 174.349 176.300 0.077 0.000 1.085 796 M CA -0.992 54.290 55.300 -0.030 0.000 1.001 796 M CB 1.410 34.015 32.600 0.008 0.000 1.626 796 M HN 0.797 nan 8.290 nan 0.000 0.442 797 L N 7.104 128.397 121.223 0.118 0.000 2.264 797 L HA 0.657 4.895 4.340 -0.171 0.000 0.289 797 L C -1.596 175.217 176.870 -0.096 0.000 1.044 797 L CA 0.180 54.982 54.840 -0.063 0.000 0.807 797 L CB 0.454 42.487 42.059 -0.044 0.000 1.192 797 L HN 0.769 nan 8.230 nan 0.000 0.425 798 I N 8.027 128.521 120.570 -0.127 0.000 2.466 798 I HA 0.418 4.485 4.170 -0.171 0.000 0.279 798 I C -2.297 173.725 176.117 -0.158 0.000 1.033 798 I CA -1.527 59.737 61.300 -0.060 0.000 1.123 798 I CB 1.369 39.471 38.000 0.171 0.000 1.237 798 I HN 0.513 nan 8.210 nan 0.000 0.460 799 P HA 0.384 nan 4.420 nan 0.000 0.283 799 P C -0.553 176.641 177.300 -0.177 0.000 1.271 799 P CA -0.482 62.405 63.100 -0.354 0.000 0.841 799 P CB 0.816 32.141 31.700 -0.626 0.000 1.122 800 N N -2.802 115.856 118.700 -0.069 0.000 2.714 800 N HA -0.120 4.517 4.740 -0.171 0.000 0.250 800 N C -0.089 175.476 175.510 0.092 0.000 1.117 800 N CA 1.277 54.358 53.050 0.051 0.000 0.719 800 N CB -2.235 36.335 38.487 0.137 0.000 1.081 800 N HN 0.431 nan 8.380 nan 0.000 0.557 801 V N -3.203 116.783 119.914 0.121 0.000 2.914 801 V HA 0.771 4.788 4.120 -0.171 0.000 0.314 801 V C 0.262 176.484 176.094 0.214 0.000 1.084 801 V CA -1.176 61.209 62.300 0.142 0.000 0.963 801 V CB 2.504 34.408 31.823 0.136 0.000 1.025 801 V HN 0.169 nan 8.190 nan 0.000 0.432 802 D N 2.348 122.829 120.400 0.135 0.000 2.383 802 D HA 0.189 4.726 4.640 -0.171 0.000 0.248 802 D C 1.058 177.328 176.300 -0.050 0.000 1.170 802 D CA -0.360 53.717 54.000 0.128 0.000 0.977 802 D CB 1.315 42.150 40.800 0.058 0.000 1.120 802 D HN 0.717 nan 8.370 nan 0.000 0.481 803 R N 0.571 120.941 120.500 -0.217 0.000 2.112 803 R HA -0.234 4.003 4.340 -0.171 0.000 0.242 803 R C 2.093 178.145 176.300 -0.414 0.000 1.137 803 R CA 2.276 57.947 56.100 -0.715 0.000 0.944 803 R CB -0.722 29.251 30.300 -0.545 0.000 0.857 803 R HN 0.601 nan 8.270 nan 0.000 0.435 804 A N -0.483 122.202 122.820 -0.225 0.000 1.933 804 A HA -0.142 4.075 4.320 -0.171 0.000 0.218 804 A C 2.184 179.686 177.584 -0.136 0.000 1.175 804 A CA 2.053 53.994 52.037 -0.160 0.000 0.628 804 A CB -0.813 18.124 19.000 -0.105 0.000 0.814 804 A HN 0.516 nan 8.150 nan 0.000 0.444 805 T N -0.880 113.613 114.554 -0.101 0.000 2.777 805 T HA -0.091 4.156 4.350 -0.171 0.000 0.266 805 T C 1.604 176.244 174.700 -0.100 0.000 1.040 805 T CA 1.386 63.439 62.100 -0.078 0.000 1.141 805 T CB -0.399 68.454 68.868 -0.026 0.000 0.868 805 T HN 0.482 nan 8.240 nan 0.000 0.444 806 F N 3.256 123.048 119.950 -0.264 0.000 2.065 806 F HA -0.195 4.230 4.527 -0.171 0.000 0.298 806 F C 2.057 177.683 175.800 -0.291 0.000 1.112 806 F CA 1.333 59.160 58.000 -0.288 0.000 1.212 806 F CB -0.528 38.166 39.000 -0.510 0.000 0.975 806 F HN 0.040 nan 8.300 nan 0.000 0.476 807 N N 0.383 118.908 118.700 -0.292 0.000 2.205 807 N HA -0.225 4.412 4.740 -0.171 0.000 0.186 807 N C 1.826 177.131 175.510 -0.341 0.000 1.015 807 N CA 1.450 54.299 53.050 -0.334 0.000 0.862 807 N CB -0.564 37.805 38.487 -0.197 0.000 0.986 807 N HN 0.476 nan 8.380 nan 0.000 0.429 808 Q N 0.372 120.011 119.800 -0.268 0.000 2.046 808 Q HA 0.104 4.342 4.340 -0.171 0.000 0.200 808 Q C 2.095 177.927 176.000 -0.281 0.000 0.975 808 Q CA 1.129 56.797 55.803 -0.225 0.000 0.836 808 Q CB -0.043 28.601 28.738 -0.157 0.000 0.896 808 Q HN 0.284 nan 8.270 nan 0.000 0.428 809 M N 0.045 119.450 119.600 -0.326 0.000 2.117 809 M HA -0.145 4.232 4.480 -0.171 0.000 0.262 809 M C 1.986 177.984 176.300 -0.502 0.000 1.065 809 M CA 1.465 56.559 55.300 -0.344 0.000 1.114 809 M CB -0.358 32.068 32.600 -0.291 0.000 1.361 809 M HN 0.469 nan 8.290 nan 0.000 0.408 810 I N -2.557 117.553 120.570 -0.767 0.000 2.614 810 I HA -0.182 3.886 4.170 -0.171 0.000 0.258 810 I C 1.833 177.474 176.117 -0.794 0.000 1.189 810 I CA 1.098 61.712 61.300 -1.144 0.000 1.462 810 I CB -0.499 36.640 38.000 -1.434 0.000 1.092 810 I HN 0.103 nan 8.210 nan 0.000 0.442 811 K N 1.974 122.090 120.400 -0.473 0.000 2.103 811 K HA -0.094 4.123 4.320 -0.171 0.000 0.204 811 K C 1.931 178.402 176.600 -0.215 0.000 1.052 811 K CA 1.691 57.809 56.287 -0.280 0.000 0.945 811 K CB -0.205 32.174 32.500 -0.202 0.000 0.722 811 K HN 0.649 nan 8.250 nan 0.000 0.443 812 E N 0.606 120.668 120.200 -0.230 0.000 2.107 812 E HA -0.059 4.188 4.350 -0.171 0.000 0.191 812 E C 1.742 178.263 176.600 -0.132 0.000 0.982 812 E CA 0.597 56.902 56.400 -0.159 0.000 0.809 812 E CB -0.157 29.448 29.700 -0.157 0.000 0.756 812 E HN 0.158 nan 8.360 nan 0.000 0.459 813 L N 1.643 122.754 121.223 -0.187 0.000 2.599 813 L HA 0.019 4.256 4.340 -0.171 0.000 0.230 813 L C 2.223 179.206 176.870 0.188 0.000 1.141 813 L CA 0.322 55.151 54.840 -0.019 0.000 0.877 813 L CB -0.426 41.627 42.059 -0.010 0.000 1.009 813 L HN 0.159 nan 8.230 nan 0.000 0.447 814 E N -0.097 120.129 120.200 0.044 0.000 2.401 814 E HA -0.159 4.088 4.350 -0.171 0.000 0.199 814 E C 1.229 177.983 176.600 0.257 0.000 1.023 814 E CA 1.148 57.698 56.400 0.249 0.000 0.859 814 E CB 0.105 29.859 29.700 0.089 0.000 0.780 814 E HN 0.200 nan 8.360 nan 0.000 0.523 815 S N -0.801 115.002 115.700 0.171 0.000 2.937 815 S HA 0.078 4.445 4.470 -0.171 0.000 0.252 815 S C 0.996 175.653 174.600 0.094 0.000 1.022 815 S CA 0.076 58.349 58.200 0.122 0.000 1.079 815 S CB 0.722 63.974 63.200 0.087 0.000 1.035 815 S HN 0.427 nan 8.310 nan 0.000 0.594 816 S N 0.939 116.702 115.700 0.105 0.000 2.453 816 S HA 0.158 4.526 4.470 -0.171 0.000 0.231 816 S C 0.751 175.244 174.600 -0.178 0.000 1.005 816 S CA 0.006 58.210 58.200 0.006 0.000 0.949 816 S CB -0.231 63.008 63.200 0.066 0.000 0.774 816 S HN 0.450 nan 8.310 nan 0.000 0.510 817 L N 3.148 124.168 121.223 -0.339 0.000 2.456 817 L HA 0.172 4.410 4.340 -0.171 0.000 0.277 817 L C 0.684 177.419 176.870 -0.225 0.000 1.124 817 L CA 0.068 54.589 54.840 -0.532 0.000 0.880 817 L CB 0.155 41.848 42.059 -0.609 0.000 1.192 817 L HN 0.215 nan 8.230 nan 0.000 0.463 818 I N 3.214 123.676 120.570 -0.181 0.000 2.400 818 I HA 0.054 4.121 4.170 -0.171 0.000 0.248 818 I C 0.817 176.885 176.117 -0.082 0.000 1.109 818 I CA 0.856 62.116 61.300 -0.067 0.000 1.425 818 I CB -0.249 37.760 38.000 0.014 0.000 1.094 818 I HN 0.656 nan 8.210 nan 0.000 0.425 819 E N -0.054 120.077 120.200 -0.115 0.000 2.389 819 E HA 0.284 4.531 4.350 -0.171 0.000 0.281 819 E C -0.910 175.642 176.600 -0.081 0.000 1.072 819 E CA -0.446 55.908 56.400 -0.077 0.000 0.845 819 E CB 1.127 30.806 29.700 -0.035 0.000 1.239 819 E HN 0.127 nan 8.360 nan 0.000 0.434 820 N N 3.065 121.733 118.700 -0.052 0.000 2.824 820 N HA 0.174 4.811 4.740 -0.171 0.000 0.224 820 N C -1.478 174.014 175.510 -0.030 0.000 1.418 820 N CA -0.213 52.812 53.050 -0.041 0.000 0.743 820 N CB 0.000 38.444 38.487 -0.072 0.000 1.395 820 N HN 0.538 nan 8.380 nan 0.000 0.548 821 N N 0.254 118.950 118.700 -0.007 0.000 3.379 821 N HA 0.195 4.832 4.740 -0.171 0.000 0.350 821 N C 0.987 176.487 175.510 -0.017 0.000 1.553 821 N CA -0.557 52.479 53.050 -0.022 0.000 0.712 821 N CB 0.103 38.582 38.487 -0.014 0.000 1.880 821 N HN 0.118 nan 8.380 nan 0.000 0.648 822 E N -0.917 119.257 120.200 -0.043 0.000 2.338 822 E HA -0.132 4.115 4.350 -0.171 0.000 0.197 822 E C 0.527 177.166 176.600 0.065 0.000 1.007 822 E CA 1.980 58.340 56.400 -0.066 0.000 0.849 822 E CB -0.666 28.968 29.700 -0.110 0.000 0.774 822 E HN 0.794 nan 8.360 nan 0.000 0.506 823 T N -1.947 112.664 114.554 0.096 0.000 2.959 823 T HA 0.366 4.613 4.350 -0.171 0.000 0.254 823 T C 0.483 175.320 174.700 0.229 0.000 1.003 823 T CA -0.234 61.967 62.100 0.168 0.000 0.950 823 T CB 0.244 69.177 68.868 0.107 0.000 1.090 823 T HN 0.098 nan 8.240 nan 0.000 0.503 824 L N 0.917 122.247 121.223 0.179 0.000 2.493 824 L HA 0.605 4.843 4.340 -0.171 0.000 0.265 824 L C -2.055 174.915 176.870 0.166 0.000 0.954 824 L CA -0.444 54.510 54.840 0.190 0.000 0.844 824 L CB 2.429 44.555 42.059 0.112 0.000 1.302 824 L HN 0.081 nan 8.230 nan 0.000 0.405 825 Q N 2.940 122.883 119.800 0.239 0.000 2.304 825 Q HA 0.757 4.994 4.340 -0.171 0.000 0.270 825 Q C -1.486 174.670 176.000 0.261 0.000 1.035 825 Q CA -0.685 55.252 55.803 0.224 0.000 0.781 825 Q CB 2.357 31.293 28.738 0.331 0.000 1.261 825 Q HN 0.638 nan 8.270 nan 0.000 0.444 826 S N 1.645 117.331 115.700 -0.023 0.000 2.543 826 S HA 0.600 4.967 4.470 -0.171 0.000 0.273 826 S C -1.575 172.776 174.600 -0.416 0.000 1.152 826 S CA -0.482 57.644 58.200 -0.123 0.000 0.910 826 S CB 1.452 64.710 63.200 0.097 0.000 1.105 826 S HN 0.318 nan 8.310 nan 0.000 0.465 827 V N 4.900 124.448 119.914 -0.609 0.000 2.680 827 V HA 0.604 4.622 4.120 -0.171 0.000 0.309 827 V C -1.248 174.802 176.094 -0.073 0.000 1.052 827 V CA -0.694 61.319 62.300 -0.479 0.000 0.908 827 V CB 1.813 33.208 31.823 -0.713 0.000 1.001 827 V HN 0.858 nan 8.190 nan 0.000 0.431 828 Y N 2.904 123.085 120.300 -0.198 0.000 2.350 828 Y HA 0.580 5.027 4.550 -0.171 0.000 0.338 828 Y C -0.539 175.215 175.900 -0.244 0.000 0.961 828 Y CA -1.558 56.378 58.100 -0.274 0.000 1.100 828 Y CB 1.705 39.985 38.460 -0.300 0.000 1.179 828 Y HN 0.688 nan 8.280 nan 0.000 0.454 829 D N 5.031 124.987 120.400 -0.741 0.000 2.485 829 D HA 0.362 4.899 4.640 -0.171 0.000 0.221 829 D C 0.716 176.378 176.300 -1.064 0.000 1.112 829 D CA 0.332 53.936 54.000 -0.660 0.000 0.911 829 D CB 1.096 41.712 40.800 -0.307 0.000 1.019 829 D HN 0.780 nan 8.370 nan 0.000 0.516 830 A N 4.598 126.710 122.820 -1.181 0.000 1.940 830 A HA -0.177 4.040 4.320 -0.171 0.000 0.219 830 A C 2.060 179.413 177.584 -0.386 0.000 1.176 830 A CA 1.106 52.620 52.037 -0.872 0.000 0.631 830 A CB -0.216 18.521 19.000 -0.438 0.000 0.814 830 A HN 0.516 nan 8.150 nan 0.000 0.446 831 K N -0.960 119.263 120.400 -0.295 0.000 2.097 831 K HA -0.152 4.065 4.320 -0.171 0.000 0.206 831 K C 2.143 178.655 176.600 -0.147 0.000 1.049 831 K CA 1.681 57.864 56.287 -0.172 0.000 0.933 831 K CB -0.098 32.318 32.500 -0.140 0.000 0.717 831 K HN 0.618 nan 8.250 nan 0.000 0.442 832 Q N -1.305 118.382 119.800 -0.188 0.000 2.391 832 Q HA 0.037 4.274 4.340 -0.171 0.000 0.211 832 Q C 0.452 176.388 176.000 -0.106 0.000 0.908 832 Q CA 0.512 56.241 55.803 -0.124 0.000 0.920 832 Q CB 0.901 29.575 28.738 -0.106 0.000 1.056 832 Q HN 0.489 nan 8.270 nan 0.000 0.523 833 G N 1.114 109.796 108.800 -0.197 0.000 2.225 833 G HA2 -0.207 3.651 3.960 -0.171 0.000 0.264 833 G HA3 -0.207 3.651 3.960 -0.171 0.000 0.264 833 G C -0.364 174.500 174.900 -0.061 0.000 1.060 833 G CA 0.155 45.195 45.100 -0.100 0.000 0.833 833 G HN 0.181 nan 8.290 nan 0.000 0.498 834 V N 0.632 120.446 119.914 -0.167 0.000 2.680 834 V HA 0.774 4.791 4.120 -0.171 0.000 0.309 834 V C -0.052 176.092 176.094 0.083 0.000 1.052 834 V CA -1.040 61.296 62.300 0.060 0.000 0.908 834 V CB 1.876 33.736 31.823 0.063 0.000 1.001 834 V HN 0.334 nan 8.190 nan 0.000 0.431 835 W N 1.933 123.451 121.300 0.363 0.000 2.702 835 W HA 0.700 5.257 4.660 -0.171 0.000 0.331 835 W C 0.196 176.919 176.519 0.340 0.000 1.049 835 W CA -0.806 56.771 57.345 0.387 0.000 1.230 835 W CB 2.535 32.256 29.460 0.435 0.000 1.408 835 W HN 0.735 nan 8.180 nan 0.000 0.492 836 G N 3.193 112.352 108.800 0.598 0.000 2.478 836 G HA2 0.770 4.627 3.960 -0.171 0.000 0.317 836 G HA3 0.770 4.627 3.960 -0.171 0.000 0.317 836 G C -1.430 173.930 174.900 0.768 0.000 1.259 836 G CA -0.532 44.990 45.100 0.704 0.000 0.933 836 G HN 0.364 nan 8.290 nan 0.000 0.478 837 I N 1.527 122.477 120.570 0.634 0.000 2.619 837 I HA 0.373 4.440 4.170 -0.171 0.000 0.292 837 I C -0.807 175.606 176.117 0.493 0.000 1.100 837 I CA -1.077 60.545 61.300 0.537 0.000 1.043 837 I CB 2.807 40.991 38.000 0.307 0.000 1.239 837 I HN 0.142 nan 8.210 nan 0.000 0.420 838 V N 5.570 125.749 119.914 0.442 0.000 2.443 838 V HA 0.409 4.426 4.120 -0.171 0.000 0.293 838 V C -0.345 175.974 176.094 0.376 0.000 1.021 838 V CA -0.722 61.793 62.300 0.359 0.000 0.848 838 V CB 1.897 33.883 31.823 0.272 0.000 0.998 838 V HN 0.603 nan 8.190 nan 0.000 0.424 839 K N 3.214 123.843 120.400 0.382 0.000 2.274 839 K HA 0.467 4.684 4.320 -0.171 0.000 0.262 839 K C -0.537 176.187 176.600 0.207 0.000 0.961 839 K CA -0.543 55.937 56.287 0.321 0.000 0.833 839 K CB 1.772 34.471 32.500 0.332 0.000 1.102 839 K HN 0.610 nan 8.250 nan 0.000 0.436 840 Y N 0.706 121.062 120.300 0.092 0.000 2.478 840 Y HA -0.013 4.435 4.550 -0.171 0.000 0.261 840 Y C 0.360 176.181 175.900 -0.132 0.000 1.127 840 Y CA 0.075 58.107 58.100 -0.113 0.000 1.288 840 Y CB 0.571 38.957 38.460 -0.123 0.000 1.084 840 Y HN 0.644 nan 8.280 nan 0.000 0.530 841 D N -2.838 117.613 120.400 0.085 0.000 2.559 841 D HA 0.130 4.667 4.640 -0.171 0.000 0.250 841 D C -0.524 175.808 176.300 0.054 0.000 1.135 841 D CA -0.655 53.370 54.000 0.042 0.000 0.955 841 D CB 0.703 41.536 40.800 0.055 0.000 1.442 841 D HN -0.242 nan 8.370 nan 0.000 0.471 842 D N -0.310 120.110 120.400 0.033 0.000 2.370 842 D HA 0.089 4.626 4.640 -0.171 0.000 0.230 842 D C 0.320 176.636 176.300 0.026 0.000 1.143 842 D CA 0.086 54.108 54.000 0.038 0.000 0.834 842 D CB -0.102 40.711 40.800 0.022 0.000 0.944 842 D HN 0.420 nan 8.370 nan 0.000 0.504 843 S N -0.993 114.722 115.700 0.025 0.000 2.624 843 S HA 0.304 4.672 4.470 -0.171 0.000 0.263 843 S C 0.391 174.989 174.600 -0.004 0.000 1.287 843 S CA -0.772 57.432 58.200 0.007 0.000 0.990 843 S CB 1.628 64.831 63.200 0.006 0.000 0.950 843 S HN -0.123 nan 8.310 nan 0.000 0.561 844 V N 2.035 121.932 119.914 -0.027 0.000 2.406 844 V HA 0.396 4.413 4.120 -0.171 0.000 0.272 844 V C 0.017 176.067 176.094 -0.072 0.000 1.043 844 V CA -0.352 61.915 62.300 -0.054 0.000 0.915 844 V CB 0.867 32.650 31.823 -0.067 0.000 0.988 844 V HN 0.928 nan 8.190 nan 0.000 0.466 845 S N 3.156 118.798 115.700 -0.096 0.000 2.498 845 S HA 0.457 4.824 4.470 -0.171 0.000 0.317 845 S C 0.086 174.560 174.600 -0.210 0.000 1.090 845 S CA -0.558 57.568 58.200 -0.124 0.000 1.089 845 S CB 1.385 64.528 63.200 -0.095 0.000 0.997 845 S HN 0.806 nan 8.310 nan 0.000 0.470 846 T N 4.300 118.716 114.554 -0.230 0.000 2.743 846 T HA 0.420 4.667 4.350 -0.171 0.000 0.293 846 T C -0.112 174.333 174.700 -0.426 0.000 0.945 846 T CA -0.498 61.401 62.100 -0.335 0.000 1.030 846 T CB 0.188 68.903 68.868 -0.256 0.000 0.912 846 T HN 0.342 nan 8.240 nan 0.000 0.483 847 I N 2.507 122.625 120.570 -0.753 0.000 2.378 847 I HA 0.278 4.345 4.170 -0.171 0.000 0.291 847 I C 0.959 176.582 176.117 -0.824 0.000 0.992 847 I CA -0.542 60.259 61.300 -0.831 0.000 1.154 847 I CB 0.898 38.175 38.000 -1.206 0.000 1.315 847 I HN 0.793 nan 8.210 nan 0.000 0.448 848 S N 4.638 120.099 115.700 -0.398 0.000 3.473 848 S HA -0.281 4.086 4.470 -0.171 0.000 0.339 848 S C 0.862 175.330 174.600 -0.220 0.000 1.148 848 S CA 1.287 59.352 58.200 -0.225 0.000 0.969 848 S CB -1.425 61.724 63.200 -0.084 0.000 0.936 848 S HN 0.931 nan 8.310 nan 0.000 0.530 849 N N -0.271 118.268 118.700 -0.269 0.000 2.727 849 N HA -0.243 4.394 4.740 -0.171 0.000 0.249 849 N C 0.440 175.841 175.510 -0.182 0.000 1.048 849 N CA 1.858 54.788 53.050 -0.199 0.000 0.714 849 N CB -0.735 37.686 38.487 -0.109 0.000 0.959 849 N HN 0.814 nan 8.380 nan 0.000 0.544 850 Q N -1.746 117.867 119.800 -0.313 0.000 2.563 850 Q HA 0.231 4.468 4.340 -0.171 0.000 0.236 850 Q C 0.146 176.015 176.000 -0.218 0.000 0.792 850 Q CA 0.809 56.513 55.803 -0.165 0.000 0.960 850 Q CB 0.592 29.319 28.738 -0.019 0.000 1.304 850 Q HN 0.423 nan 8.270 nan 0.000 0.566 851 F N -0.569 119.092 119.950 -0.482 0.000 2.824 851 F HA 0.675 5.100 4.527 -0.171 0.000 0.330 851 F C -1.485 173.949 175.800 -0.610 0.000 1.175 851 F CA -1.217 56.365 58.000 -0.697 0.000 0.974 851 F CB 1.308 39.632 39.000 -1.126 0.000 1.430 851 F HN -0.318 nan 8.300 nan 0.000 0.507 852 Q N 1.249 120.818 119.800 -0.384 0.000 2.331 852 Q HA 0.650 4.887 4.340 -0.171 0.000 0.272 852 Q C -1.518 174.341 176.000 -0.234 0.000 1.062 852 Q CA -1.298 54.318 55.803 -0.313 0.000 0.806 852 Q CB 3.343 31.916 28.738 -0.276 0.000 1.312 852 Q HN 0.713 nan 8.270 nan 0.000 0.431 853 V N 0.641 120.457 119.914 -0.164 0.000 2.483 853 V HA 0.475 4.493 4.120 -0.171 0.000 0.295 853 V C 0.194 176.236 176.094 -0.087 0.000 1.035 853 V CA -0.582 61.614 62.300 -0.173 0.000 0.896 853 V CB 0.958 32.514 31.823 -0.446 0.000 0.986 853 V HN 0.819 nan 8.190 nan 0.000 0.447 854 L N 0.708 121.938 121.223 0.012 0.000 2.817 854 L HA 0.543 4.781 4.340 -0.171 0.000 0.248 854 L C 0.592 177.512 176.870 0.084 0.000 1.133 854 L CA 0.091 54.946 54.840 0.026 0.000 0.935 854 L CB 0.001 42.054 42.059 -0.011 0.000 1.266 854 L HN 0.587 nan 8.230 nan 0.000 0.535 855 K N 0.465 120.988 120.400 0.206 0.000 2.435 855 K HA 0.449 4.666 4.320 -0.171 0.000 0.251 855 K C -0.505 176.305 176.600 0.349 0.000 0.954 855 K CA -0.681 55.725 56.287 0.199 0.000 0.820 855 K CB 2.226 34.759 32.500 0.055 0.000 1.292 855 K HN -0.134 nan 8.250 nan 0.000 0.436 856 R N 0.916 121.551 120.500 0.225 0.000 2.583 856 R HA 0.363 4.600 4.340 -0.171 0.000 0.274 856 R C 0.037 176.548 176.300 0.352 0.000 0.998 856 R CA 1.422 57.641 56.100 0.198 0.000 1.081 856 R CB -0.098 30.204 30.300 0.003 0.000 0.940 856 R HN 0.775 nan 8.270 nan 0.000 0.413 857 G N 1.173 110.222 108.800 0.416 0.000 2.357 857 G HA2 0.107 3.964 3.960 -0.171 0.000 0.289 857 G HA3 0.107 3.964 3.960 -0.171 0.000 0.289 857 G C -1.744 173.173 174.900 0.028 0.000 1.302 857 G CA -0.484 44.707 45.100 0.152 0.000 0.936 857 G HN 0.565 nan 8.290 nan 0.000 0.513 858 V N 0.676 120.394 119.914 -0.327 0.000 2.495 858 V HA 0.740 4.758 4.120 -0.171 0.000 0.298 858 V C -0.959 175.048 176.094 -0.145 0.000 1.031 858 V CA -0.639 61.588 62.300 -0.121 0.000 0.871 858 V CB 1.014 32.743 31.823 -0.157 0.000 0.988 858 V HN 0.666 nan 8.190 nan 0.000 0.432 859 Y N 1.345 121.723 120.300 0.130 0.000 2.524 859 Y HA 0.765 5.212 4.550 -0.171 0.000 0.344 859 Y C 0.347 176.361 175.900 0.189 0.000 1.012 859 Y CA -1.101 57.112 58.100 0.189 0.000 1.068 859 Y CB 2.503 41.121 38.460 0.262 0.000 1.249 859 Y HN 0.511 nan 8.280 nan 0.000 0.468 860 T N 3.456 118.213 114.554 0.338 0.000 3.170 860 T HA 0.579 4.826 4.350 -0.171 0.000 0.315 860 T C -0.906 173.941 174.700 0.246 0.000 0.967 860 T CA -0.375 61.895 62.100 0.283 0.000 1.024 860 T CB 0.351 69.328 68.868 0.182 0.000 1.018 860 T HN 0.363 nan 8.240 nan 0.000 0.449 861 I N 2.410 123.167 120.570 0.311 0.000 2.530 861 I HA 0.639 4.706 4.170 -0.171 0.000 0.297 861 I C 0.032 176.395 176.117 0.410 0.000 1.011 861 I CA -0.902 60.546 61.300 0.246 0.000 1.107 861 I CB 2.147 40.181 38.000 0.056 0.000 1.285 861 I HN 0.353 nan 8.210 nan 0.000 0.436 862 R N 5.106 125.791 120.500 0.307 0.000 2.513 862 R HA 0.435 4.672 4.340 -0.171 0.000 0.301 862 R C -1.094 175.382 176.300 0.293 0.000 0.968 862 R CA -0.818 55.466 56.100 0.307 0.000 0.872 862 R CB 1.379 31.772 30.300 0.155 0.000 1.177 862 R HN 0.541 nan 8.270 nan 0.000 0.444 863 K N 2.719 123.339 120.400 0.367 0.000 2.276 863 K HA 0.104 4.321 4.320 -0.171 0.000 0.285 863 K C -0.896 175.702 176.600 -0.004 0.000 1.062 863 K CA -0.317 56.018 56.287 0.080 0.000 0.918 863 K CB 1.022 33.672 32.500 0.249 0.000 1.055 863 K HN 0.436 nan 8.250 nan 0.000 0.477 864 E N 3.623 123.764 120.200 -0.098 0.000 2.346 864 E HA 0.230 4.477 4.350 -0.171 0.000 0.239 864 E C 0.216 176.770 176.600 -0.076 0.000 0.943 864 E CA 0.232 56.601 56.400 -0.051 0.000 0.751 864 E CB 0.980 30.664 29.700 -0.027 0.000 1.241 864 E HN 0.962 nan 8.360 nan 0.000 0.423 865 G N 4.951 113.717 108.800 -0.056 0.000 2.543 865 G HA2 -0.322 3.535 3.960 -0.171 0.000 0.286 865 G HA3 -0.322 3.535 3.960 -0.171 0.000 0.286 865 G C 0.566 175.415 174.900 -0.084 0.000 1.153 865 G CA 0.319 45.392 45.100 -0.045 0.000 0.968 865 G HN 0.527 nan 8.290 nan 0.000 0.544 866 D N 2.107 122.466 120.400 -0.069 0.000 2.349 866 D HA 0.206 4.743 4.640 -0.171 0.000 0.214 866 D C 0.933 177.168 176.300 -0.108 0.000 1.063 866 D CA 0.437 54.398 54.000 -0.065 0.000 0.847 866 D CB 0.328 41.131 40.800 0.005 0.000 0.933 866 D HN 0.527 nan 8.370 nan 0.000 0.513 867 E N -0.016 120.101 120.200 -0.140 0.000 2.250 867 E HA 0.305 4.552 4.350 -0.171 0.000 0.269 867 E C -0.792 175.651 176.600 -0.261 0.000 1.018 867 E CA -0.476 55.867 56.400 -0.096 0.000 0.873 867 E CB 1.521 31.201 29.700 -0.032 0.000 1.134 867 E HN -0.009 nan 8.360 nan 0.000 0.403 868 Y N 0.512 120.803 120.300 -0.015 0.000 2.391 868 Y HA 0.265 4.712 4.550 -0.171 0.000 0.341 868 Y C 0.285 176.074 175.900 -0.185 0.000 0.965 868 Y CA -0.714 57.322 58.100 -0.107 0.000 1.067 868 Y CB 1.625 39.937 38.460 -0.247 0.000 1.199 868 Y HN 0.059 nan 8.280 nan 0.000 0.450 869 K N 4.563 124.971 120.400 0.013 0.000 2.213 869 K HA 0.593 4.811 4.320 -0.171 0.000 0.270 869 K C -1.227 175.325 176.600 -0.081 0.000 1.002 869 K CA -0.382 55.889 56.287 -0.028 0.000 0.868 869 K CB 1.079 33.590 32.500 0.018 0.000 1.093 869 K HN 0.667 nan 8.250 nan 0.000 0.454 870 I N 1.640 122.134 120.570 -0.127 0.000 2.569 870 I HA 0.395 4.462 4.170 -0.171 0.000 0.296 870 I C -0.507 175.609 176.117 -0.001 0.000 1.028 870 I CA -0.883 60.344 61.300 -0.123 0.000 1.082 870 I CB 2.168 39.995 38.000 -0.287 0.000 1.264 870 I HN 0.498 nan 8.210 nan 0.000 0.429 871 A N 5.416 128.279 122.820 0.070 0.000 2.466 871 A HA 0.582 4.799 4.320 -0.171 0.000 0.291 871 A C -1.544 176.109 177.584 0.115 0.000 1.234 871 A CA -0.365 51.719 52.037 0.079 0.000 0.752 871 A CB 0.452 19.486 19.000 0.057 0.000 1.153 871 A HN 0.646 nan 8.150 nan 0.000 0.458 872 Y N 2.375 122.653 120.300 -0.036 0.000 2.377 872 Y HA 0.678 5.125 4.550 -0.171 0.000 0.339 872 Y C -1.604 174.270 175.900 -0.044 0.000 1.011 872 Y CA -1.191 56.807 58.100 -0.170 0.000 1.093 872 Y CB 1.492 39.803 38.460 -0.249 0.000 1.201 872 Y HN 0.628 nan 8.280 nan 0.000 0.455 873 Y N 6.270 125.849 120.300 -1.201 0.000 2.396 873 Y HA 0.325 4.772 4.550 -0.171 0.000 0.332 873 Y C -1.382 173.884 175.900 -1.057 0.000 1.034 873 Y CA -1.365 56.212 58.100 -0.873 0.000 1.057 873 Y CB 1.394 39.586 38.460 -0.447 0.000 1.220 873 Y HN 0.788 nan 8.280 nan 0.000 0.440 874 N N 8.073 126.021 118.700 -1.253 0.000 2.485 874 N HA 0.258 4.896 4.740 -0.171 0.000 0.243 874 N C -2.257 172.638 175.510 -1.024 0.000 0.987 874 N CA -2.031 50.541 53.050 -0.796 0.000 0.940 874 N CB 1.665 39.986 38.487 -0.276 0.000 1.122 874 N HN 0.369 nan 8.380 nan 0.000 0.509 875 P HA -0.100 nan 4.420 nan 0.000 0.217 875 P C 0.608 177.758 177.300 -0.250 0.000 1.150 875 P CA 1.139 63.901 63.100 -0.564 0.000 0.832 875 P CB 0.409 31.811 31.700 -0.498 0.000 0.787 876 E N -0.652 119.493 120.200 -0.091 0.000 2.031 876 E HA -0.141 4.106 4.350 -0.171 0.000 0.193 876 E C 1.854 178.430 176.600 -0.040 0.000 0.994 876 E CA 2.138 58.542 56.400 0.006 0.000 0.800 876 E CB -0.533 29.213 29.700 0.076 0.000 0.752 876 E HN 0.335 nan 8.360 nan 0.000 0.447 877 T N -2.316 112.189 114.554 -0.080 0.000 3.081 877 T HA 0.010 4.257 4.350 -0.171 0.000 0.255 877 T C 0.400 175.055 174.700 -0.076 0.000 1.113 877 T CA 0.039 62.106 62.100 -0.055 0.000 1.082 877 T CB 0.161 69.008 68.868 -0.036 0.000 0.939 877 T HN 0.118 nan 8.240 nan 0.000 0.506 878 Q N 0.608 120.291 119.800 -0.194 0.000 2.470 878 Q HA -0.143 4.094 4.340 -0.171 0.000 0.294 878 Q C -0.790 175.193 176.000 -0.029 0.000 1.356 878 Q CA 0.687 56.418 55.803 -0.121 0.000 0.805 878 Q CB -1.743 27.035 28.738 0.068 0.000 1.157 878 Q HN 0.758 nan 8.270 nan 0.000 0.431 879 E N -0.709 119.380 120.200 -0.184 0.000 2.393 879 E HA 0.538 4.785 4.350 -0.171 0.000 0.273 879 E C -0.522 176.083 176.600 0.007 0.000 0.918 879 E CA -0.293 56.105 56.400 -0.003 0.000 0.773 879 E CB 2.156 31.868 29.700 0.020 0.000 1.275 879 E HN 0.118 nan 8.360 nan 0.000 0.451 880 S N 0.471 116.254 115.700 0.139 0.000 2.307 880 S HA 0.849 5.216 4.470 -0.171 0.000 0.252 880 S C -0.758 174.002 174.600 0.267 0.000 1.204 880 S CA 0.426 58.757 58.200 0.217 0.000 1.018 880 S CB 0.744 64.052 63.200 0.179 0.000 1.077 880 S HN 0.622 nan 8.310 nan 0.000 0.454 881 A N 0.357 123.314 122.820 0.229 0.000 2.569 881 A HA 0.612 4.829 4.320 -0.171 0.000 0.292 881 A C -3.195 174.406 177.584 0.028 0.000 1.032 881 A CA -1.115 50.977 52.037 0.091 0.000 0.669 881 A CB -0.181 18.812 19.000 -0.011 0.000 1.290 881 A HN 0.548 nan 8.150 nan 0.000 0.422 882 P HA 0.235 nan 4.420 nan 0.000 0.268 882 P C -0.089 177.201 177.300 -0.017 0.000 1.205 882 P CA 0.041 63.142 63.100 0.002 0.000 0.771 882 P CB 0.545 32.247 31.700 0.003 0.000 0.858 883 D N 1.939 122.341 120.400 0.004 0.000 2.133 883 D HA -0.233 4.304 4.640 -0.171 0.000 0.192 883 D C 1.785 178.120 176.300 0.059 0.000 1.001 883 D CA 1.420 55.433 54.000 0.022 0.000 0.844 883 D CB -0.523 40.286 40.800 0.016 0.000 0.944 883 D HN 0.555 nan 8.370 nan 0.000 0.447 884 Q N 1.251 121.078 119.800 0.045 0.000 2.368 884 Q HA -0.194 4.043 4.340 -0.171 0.000 0.210 884 Q C 1.316 177.322 176.000 0.009 0.000 0.982 884 Q CA 1.278 57.106 55.803 0.042 0.000 0.884 884 Q CB -0.342 28.412 28.738 0.027 0.000 0.933 884 Q HN 0.436 nan 8.270 nan 0.000 0.460 885 E N 0.483 120.670 120.200 -0.022 0.000 2.230 885 E HA -0.052 4.195 4.350 -0.171 0.000 0.192 885 E C 1.944 178.496 176.600 -0.079 0.000 0.987 885 E CA 1.220 57.587 56.400 -0.055 0.000 0.841 885 E CB 0.457 30.108 29.700 -0.082 0.000 0.783 885 E HN 0.425 nan 8.360 nan 0.000 0.481 886 V N -2.462 117.402 119.914 -0.084 0.000 3.635 886 V HA 0.299 4.316 4.120 -0.171 0.000 0.266 886 V C 0.020 176.225 176.094 0.184 0.000 1.316 886 V CA -0.328 61.951 62.300 -0.035 0.000 1.060 886 V CB 0.118 31.724 31.823 -0.362 0.000 0.820 886 V HN 0.050 nan 8.190 nan 0.000 0.447 887 F N 1.579 121.507 119.950 -0.036 0.000 2.561 887 F HA 0.708 5.133 4.527 -0.171 0.000 0.313 887 F C -0.659 175.092 175.800 -0.081 0.000 1.126 887 F CA -0.831 57.128 58.000 -0.068 0.000 0.918 887 F CB 1.718 40.656 39.000 -0.102 0.000 1.199 887 F HN -0.069 nan 8.300 nan 0.000 0.444 888 K N 6.843 126.852 120.400 -0.652 0.000 2.579 888 K HA 0.245 4.462 4.320 -0.171 0.000 0.250 888 K C -1.063 175.111 176.600 -0.710 0.000 0.952 888 K CA -0.759 55.244 56.287 -0.473 0.000 0.857 888 K CB 1.444 33.793 32.500 -0.251 0.000 1.123 888 K HN 0.732 nan 8.250 nan 0.000 0.433 889 K N 3.775 123.877 120.400 -0.496 0.000 2.401 889 K HA 0.160 4.378 4.320 -0.171 0.000 0.278 889 K C 0.034 176.520 176.600 -0.189 0.000 1.018 889 K CA 0.005 56.095 56.287 -0.328 0.000 0.981 889 K CB 0.402 32.916 32.500 0.023 0.000 0.933 889 K HN 0.531 nan 8.250 nan 0.000 0.477 890 L N 0.000 121.123 121.223 -0.166 0.000 2.949 890 L HA 0.000 4.237 4.340 -0.171 0.000 0.249 890 L CA 0.000 54.768 54.840 -0.120 0.000 0.813 890 L CB 0.000 41.964 42.059 -0.158 0.000 0.961 890 L HN 0.000 nan 8.230 nan 0.000 0.502